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 1gpy_1_A DATA FIRST_RESID 14 DATA SEQUENCE SVRGLAGVEN VTELKKNFNR HLHFTLVKDR NVATPRDYYF ALAHTVRDHL DATA SEQUENCE VGRWIRTQQH YYEKDPKRIY YLSLEFYMGR TLQNTMVNLA LENACDEATY DATA SEQUENCE QLGLDMEELE EIEEDAGLGN GGLGRLAACF LDSMATLGLA AYGYGIRYEF DATA SEQUENCE GIFNQKICGG WQMEEADDWL RYGNPWEKAR PEFTLPVHFY GRVEHTSQGA DATA SEQUENCE KWVDTQVVLA MPYDTPVPGY RNNVVNTMRL WSAKAPNDFN LKDFNVGGYI DATA SEQUENCE QAVLDRNLAE NISRVLYPND NFFEGKELRL KQEYFVVAAT LQDIIRRFKS DATA SEQUENCE SKFGCRDPVR TNFDAFPDKV AIQLNDTHPS LAIPELMRVL VDLERLDWDK DATA SEQUENCE AWEVTVKTCA YTNHTVLPEA LERWPVHLLE TLLPRHLQII YEINQRFLNR DATA SEQUENCE VAAAFPGDVD RLRRMSLVEE GAVKRINMAH LCIAGSHAVN GVARIHSEIL DATA SEQUENCE KKTIFKDFYE LEPHKFQNKT NGITPRRWLV LCNPGLAEII AERIGEEYIS DATA SEQUENCE DLDQLRKLLS YVDDEAFIRD VAKVKQENKL KFAAYLEREY KVHINPNSLF DATA SEQUENCE DVQVKRIHEY KRQLLNCLHV ITLYNRIKKE PNKFVVPRTV MIGGKAAPGY DATA SEQUENCE HMAKMIIKLI TAIGDVVNHD PVVGDRLRVI FLENYRVSLA EKVIPAADLS DATA SEQUENCE EQISTAGTEA SGTGNMKFML NGALTIGTMD GANVEMAEEA GEENFFIFGM DATA SEQUENCE RVEDVDRLDQ RGYNAQEYYD RIPELRQIIE QLSSGFFSPK QPDLFKDIVN DATA SEQUENCE MLMHHDRFKV FADYEEYVKC QERVSALYKN PREWTRMVIR NIATSGKFSS DATA SEQUENCE DRTIAQYARE IWGVEPSRQR LPAPDEKI 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.622 174.600 0.036 0.000 1.055 14 S CA 0.000 58.222 58.200 0.036 0.000 1.107 14 S CB 0.000 63.221 63.200 0.035 0.000 0.593 15 V N 4.850 124.792 119.914 0.047 0.000 2.220 15 V HA 0.357 4.469 4.120 -0.015 0.000 0.236 15 V C 0.313 176.432 176.094 0.041 0.000 1.314 15 V CA 1.046 63.375 62.300 0.048 0.000 1.349 15 V CB -1.220 30.641 31.823 0.064 0.000 1.428 15 V HN 0.662 nan 8.190 nan 0.000 0.495 16 R N 3.899 124.417 120.500 0.030 0.000 2.544 16 R HA 0.357 4.688 4.340 -0.015 0.000 0.426 16 R C 0.615 176.920 176.300 0.008 0.000 0.943 16 R CA 0.229 56.342 56.100 0.021 0.000 1.162 16 R CB 0.909 31.221 30.300 0.021 0.000 1.588 16 R HN 0.877 nan 8.270 nan 0.000 0.563 17 G N 1.490 110.292 108.800 0.003 0.000 2.756 17 G HA2 -0.214 3.737 3.960 -0.015 0.000 0.678 17 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.678 17 G C -0.810 174.088 174.900 -0.004 0.000 1.349 17 G CA -1.053 44.041 45.100 -0.009 0.000 0.847 17 G HN -0.016 nan 8.290 nan 0.000 0.548 18 L N 0.494 121.712 121.223 -0.008 0.000 2.416 18 L HA 0.548 4.879 4.340 -0.015 0.000 0.272 18 L C 1.671 178.539 176.870 -0.004 0.000 1.161 18 L CA 0.887 55.725 54.840 -0.004 0.000 0.845 18 L CB 0.782 42.839 42.059 -0.004 0.000 1.119 18 L HN 1.468 nan 8.230 nan 0.000 0.464 19 A N 2.884 125.703 122.820 -0.002 0.000 2.507 19 A HA 0.439 4.750 4.320 -0.015 0.000 0.270 19 A C 1.148 178.730 177.584 -0.004 0.000 1.318 19 A CA 0.073 52.108 52.037 -0.002 0.000 0.924 19 A CB -0.686 18.313 19.000 -0.001 0.000 1.061 19 A HN 0.806 nan 8.150 nan 0.000 0.516 20 G N -0.992 107.807 108.800 -0.002 0.000 3.026 20 G HA2 0.106 4.057 3.960 -0.015 0.000 0.232 20 G HA3 0.106 4.057 3.960 -0.015 0.000 0.232 20 G C 1.167 176.067 174.900 -0.000 0.000 1.241 20 G CA 0.301 45.401 45.100 -0.000 0.000 0.858 20 G HN 0.593 nan 8.290 nan 0.000 0.592 21 V N 0.368 120.282 119.914 -0.000 0.000 2.283 21 V HA -0.068 4.043 4.120 -0.015 0.000 0.243 21 V C 2.739 178.837 176.094 0.007 0.000 1.039 21 V CA 2.820 65.119 62.300 -0.001 0.000 1.016 21 V CB -0.498 31.323 31.823 -0.003 0.000 0.650 21 V HN 0.801 nan 8.190 nan 0.000 0.449 22 E N 0.587 120.794 120.200 0.012 0.000 2.031 22 E HA -0.204 4.137 4.350 -0.015 0.000 0.193 22 E C 1.988 178.607 176.600 0.031 0.000 0.994 22 E CA 2.051 58.463 56.400 0.020 0.000 0.800 22 E CB -0.488 29.224 29.700 0.020 0.000 0.752 22 E HN 0.696 nan 8.360 nan 0.000 0.447 23 N N -0.912 117.806 118.700 0.031 0.000 2.289 23 N HA -0.106 4.625 4.740 -0.015 0.000 0.184 23 N C 1.425 176.956 175.510 0.034 0.000 1.016 23 N CA 0.742 53.816 53.050 0.041 0.000 0.872 23 N CB 0.185 38.690 38.487 0.029 0.000 0.973 23 N HN -0.026 nan 8.380 nan 0.000 0.433 24 V N -0.479 119.447 119.914 0.021 0.000 2.453 24 V HA -0.157 3.954 4.120 -0.015 0.000 0.247 24 V C 2.052 178.163 176.094 0.028 0.000 1.048 24 V CA 1.592 63.902 62.300 0.017 0.000 1.049 24 V CB -0.766 31.058 31.823 0.002 0.000 0.672 24 V HN 0.339 nan 8.190 nan 0.000 0.457 25 T N -0.601 113.970 114.554 0.029 0.000 2.746 25 T HA -0.201 4.141 4.350 -0.015 0.000 0.267 25 T C 1.959 176.693 174.700 0.057 0.000 1.039 25 T CA 1.551 63.672 62.100 0.035 0.000 1.142 25 T CB -0.219 68.664 68.868 0.025 0.000 0.866 25 T HN 0.427 nan 8.240 nan 0.000 0.444 26 E N 0.832 121.074 120.200 0.070 0.000 2.038 26 E HA -0.086 4.255 4.350 -0.015 0.000 0.195 26 E C 2.271 178.953 176.600 0.138 0.000 1.000 26 E CA 1.120 57.581 56.400 0.102 0.000 0.803 26 E CB -0.301 29.471 29.700 0.121 0.000 0.750 26 E HN 0.439 nan 8.360 nan 0.000 0.448 27 L N 0.667 121.965 121.223 0.125 0.000 2.093 27 L HA -0.133 4.198 4.340 -0.015 0.000 0.208 27 L C 2.813 179.782 176.870 0.165 0.000 1.085 27 L CA 1.048 55.977 54.840 0.148 0.000 0.755 27 L CB -0.348 41.757 42.059 0.076 0.000 0.904 27 L HN 0.066 nan 8.230 nan 0.000 0.435 28 K N 0.626 121.091 120.400 0.109 0.000 2.103 28 K HA -0.261 4.051 4.320 -0.015 0.000 0.207 28 K C 2.223 178.913 176.600 0.150 0.000 1.048 28 K CA 1.541 57.884 56.287 0.094 0.000 0.930 28 K CB 0.029 32.554 32.500 0.040 0.000 0.716 28 K HN 0.161 nan 8.250 nan 0.000 0.444 29 K N 0.162 120.641 120.400 0.131 0.000 2.062 29 K HA -0.106 4.205 4.320 -0.015 0.000 0.205 29 K C 1.533 178.221 176.600 0.147 0.000 1.051 29 K CA 1.502 57.861 56.287 0.120 0.000 0.941 29 K CB 0.030 32.582 32.500 0.086 0.000 0.719 29 K HN 0.133 nan 8.250 nan 0.000 0.440 30 N N 0.516 119.325 118.700 0.182 0.000 2.250 30 N HA -0.116 4.615 4.740 -0.015 0.000 0.181 30 N C 1.475 177.155 175.510 0.283 0.000 1.017 30 N CA 0.771 53.932 53.050 0.185 0.000 0.866 30 N CB -0.522 38.112 38.487 0.245 0.000 0.985 30 N HN 0.147 nan 8.380 nan 0.000 0.429 31 F N 2.363 122.433 119.950 0.201 0.000 2.065 31 F HA -0.222 4.296 4.527 -0.015 0.000 0.298 31 F C 1.845 177.753 175.800 0.180 0.000 1.112 31 F CA 1.481 59.603 58.000 0.202 0.000 1.212 31 F CB -0.395 38.682 39.000 0.130 0.000 0.975 31 F HN -0.048 nan 8.300 nan 0.000 0.476 32 N N 0.589 119.515 118.700 0.377 0.000 2.104 32 N HA -0.174 4.557 4.740 -0.015 0.000 0.190 32 N C 1.958 177.504 175.510 0.060 0.000 1.024 32 N CA 1.602 54.776 53.050 0.207 0.000 0.853 32 N CB -0.418 38.164 38.487 0.158 0.000 1.008 32 N HN 0.384 nan 8.380 nan 0.000 0.424 33 R N -0.294 120.236 120.500 0.051 0.000 2.073 33 R HA -0.081 4.250 4.340 -0.015 0.000 0.234 33 R C 1.971 178.284 176.300 0.022 0.000 1.134 33 R CA 1.311 57.441 56.100 0.051 0.000 0.952 33 R CB -0.622 29.760 30.300 0.137 0.000 0.850 33 R HN 0.520 nan 8.270 nan 0.000 0.433 34 H N 0.245 119.342 119.070 0.046 0.000 2.387 34 H HA -0.128 4.419 4.556 -0.015 0.000 0.299 34 H C 1.994 177.257 175.328 -0.109 0.000 1.099 34 H CA 1.295 57.320 56.048 -0.039 0.000 1.315 34 H CB 0.008 29.720 29.762 -0.083 0.000 1.380 34 H HN 0.014 nan 8.280 nan 0.000 0.513 35 L N -0.135 121.065 121.223 -0.039 0.000 2.012 35 L HA -0.226 4.105 4.340 -0.015 0.000 0.210 35 L C 2.233 179.071 176.870 -0.053 0.000 1.073 35 L CA 1.928 56.724 54.840 -0.072 0.000 0.748 35 L CB -0.481 41.563 42.059 -0.026 0.000 0.891 35 L HN 0.313 nan 8.230 nan 0.000 0.431 36 H N -1.987 116.944 119.070 -0.232 0.000 2.276 36 H HA -0.070 4.477 4.556 -0.015 0.000 0.307 36 H C 1.885 176.957 175.328 -0.427 0.000 1.061 36 H CA 2.207 58.010 56.048 -0.407 0.000 1.336 36 H CB -0.230 29.128 29.762 -0.673 0.000 1.396 36 H HN 0.252 nan 8.280 nan 0.000 0.503 37 F N -0.179 119.770 119.950 -0.002 0.000 2.206 37 F HA -0.050 4.468 4.527 -0.015 0.000 0.298 37 F C 2.638 178.370 175.800 -0.114 0.000 1.090 37 F CA 1.555 59.500 58.000 -0.091 0.000 1.323 37 F CB -0.791 38.164 39.000 -0.076 0.000 1.028 37 F HN 0.268 nan 8.300 nan 0.000 0.492 38 T N -1.575 113.012 114.554 0.055 0.000 2.983 38 T HA 0.083 4.424 4.350 -0.015 0.000 0.250 38 T C 1.926 176.564 174.700 -0.103 0.000 1.037 38 T CA 0.591 62.656 62.100 -0.059 0.000 1.142 38 T CB -0.620 68.133 68.868 -0.191 0.000 0.876 38 T HN 0.147 nan 8.240 nan 0.000 0.455 39 L N 1.226 122.393 121.223 -0.094 0.000 2.341 39 L HA 0.199 4.530 4.340 -0.015 0.000 0.214 39 L C 0.360 177.156 176.870 -0.124 0.000 1.115 39 L CA -0.022 54.748 54.840 -0.117 0.000 0.820 39 L CB -0.257 41.743 42.059 -0.099 0.000 0.944 39 L HN 0.017 nan 8.230 nan 0.000 0.452 40 V N 0.558 120.389 119.914 -0.139 0.000 6.016 40 V HA -0.276 3.836 4.120 -0.015 0.000 0.265 40 V C -0.089 175.916 176.094 -0.148 0.000 0.621 40 V CA 0.955 63.148 62.300 -0.178 0.000 0.592 40 V CB -2.045 29.694 31.823 -0.140 0.000 0.298 40 V HN 0.375 nan 8.190 nan 0.000 0.615 41 K N 0.751 121.073 120.400 -0.131 0.000 2.533 41 K HA 0.547 4.858 4.320 -0.015 0.000 0.272 41 K C -0.514 176.061 176.600 -0.042 0.000 0.985 41 K CA -0.770 55.462 56.287 -0.091 0.000 0.876 41 K CB 2.775 35.213 32.500 -0.103 0.000 1.452 41 K HN 0.482 nan 8.250 nan 0.000 0.439 42 D N 0.602 120.991 120.400 -0.019 0.000 2.326 42 D HA 0.237 4.868 4.640 -0.015 0.000 0.248 42 D C 0.719 177.040 176.300 0.034 0.000 1.001 42 D CA -0.377 53.639 54.000 0.027 0.000 0.961 42 D CB 1.595 42.408 40.800 0.022 0.000 1.183 42 D HN 0.251 nan 8.370 nan 0.000 0.502 43 R N 1.219 121.767 120.500 0.079 0.000 2.105 43 R HA -0.104 4.227 4.340 -0.015 0.000 0.239 43 R C 1.600 177.963 176.300 0.106 0.000 1.135 43 R CA 0.931 57.112 56.100 0.135 0.000 0.967 43 R CB -0.515 29.870 30.300 0.141 0.000 0.861 43 R HN 0.584 nan 8.270 nan 0.000 0.442 44 N N -0.033 118.705 118.700 0.063 0.000 2.348 44 N HA -0.143 4.588 4.740 -0.015 0.000 0.185 44 N C 1.185 176.710 175.510 0.026 0.000 1.019 44 N CA 1.126 54.203 53.050 0.045 0.000 0.880 44 N CB 0.242 38.746 38.487 0.029 0.000 0.965 44 N HN 0.025 nan 8.380 nan 0.000 0.437 45 V N -0.072 119.843 119.914 0.001 0.000 3.276 45 V HA 0.343 4.454 4.120 -0.015 0.000 0.319 45 V C -0.264 175.785 176.094 -0.075 0.000 1.476 45 V CA -0.190 62.095 62.300 -0.025 0.000 1.097 45 V CB 0.287 32.096 31.823 -0.024 0.000 0.988 45 V HN 0.088 nan 8.190 nan 0.000 0.473 46 A N 0.564 123.310 122.820 -0.123 0.000 2.409 46 A HA 0.618 4.929 4.320 -0.015 0.000 0.262 46 A C 0.508 177.865 177.584 -0.378 0.000 1.113 46 A CA 0.370 52.222 52.037 -0.309 0.000 0.790 46 A CB 0.224 18.910 19.000 -0.522 0.000 1.046 46 A HN 0.374 nan 8.150 nan 0.000 0.496 47 T N 4.253 118.624 114.554 -0.305 0.000 2.913 47 T HA 0.323 4.664 4.350 -0.015 0.000 0.287 47 T C -1.560 173.050 174.700 -0.152 0.000 1.008 47 T CA -0.821 61.182 62.100 -0.161 0.000 1.067 47 T CB 1.113 69.923 68.868 -0.097 0.000 0.996 47 T HN 0.435 nan 8.240 nan 0.000 0.513 48 P HA -0.104 nan 4.420 nan 0.000 0.217 48 P C 1.559 178.987 177.300 0.213 0.000 1.151 48 P CA 1.184 64.419 63.100 0.225 0.000 0.849 48 P CB 0.219 32.013 31.700 0.156 0.000 0.787 49 R N -0.813 119.759 120.500 0.121 0.000 2.073 49 R HA -0.100 4.231 4.340 -0.015 0.000 0.229 49 R C 1.844 178.302 176.300 0.263 0.000 1.120 49 R CA 1.427 57.623 56.100 0.159 0.000 0.967 49 R CB -0.711 29.652 30.300 0.106 0.000 0.862 49 R HN 0.182 nan 8.270 nan 0.000 0.436 50 D N -0.019 120.464 120.400 0.138 0.000 2.126 50 D HA -0.223 4.408 4.640 -0.015 0.000 0.190 50 D C 1.768 178.112 176.300 0.073 0.000 1.001 50 D CA 1.517 55.550 54.000 0.056 0.000 0.841 50 D CB -0.488 40.196 40.800 -0.193 0.000 0.949 50 D HN 0.179 nan 8.370 nan 0.000 0.446 51 Y N 0.078 120.465 120.300 0.146 0.000 2.053 51 Y HA -0.264 4.278 4.550 -0.015 0.000 0.277 51 Y C 2.433 178.449 175.900 0.194 0.000 1.159 51 Y CA 0.898 59.126 58.100 0.214 0.000 1.125 51 Y CB -1.453 37.186 38.460 0.298 0.000 0.969 51 Y HN 0.129 nan 8.280 nan 0.000 0.492 52 Y N -0.426 120.027 120.300 0.255 0.000 2.114 52 Y HA -0.311 4.230 4.550 -0.015 0.000 0.282 52 Y C 2.101 177.988 175.900 -0.021 0.000 1.165 52 Y CA 1.340 59.483 58.100 0.072 0.000 1.148 52 Y CB -1.195 37.219 38.460 -0.078 0.000 0.972 52 Y HN 0.025 nan 8.280 nan 0.000 0.504 53 F N 0.426 120.088 119.950 -0.480 0.000 2.161 53 F HA -0.183 4.336 4.527 -0.015 0.000 0.300 53 F C 2.688 178.269 175.800 -0.365 0.000 1.089 53 F CA 1.465 59.141 58.000 -0.540 0.000 1.282 53 F CB -1.288 37.579 39.000 -0.221 0.000 1.010 53 F HN 0.221 nan 8.300 nan 0.000 0.485 54 A N -0.072 122.681 122.820 -0.113 0.000 1.877 54 A HA -0.150 4.161 4.320 -0.015 0.000 0.216 54 A C 2.285 179.719 177.584 -0.250 0.000 1.186 54 A CA 1.421 53.286 52.037 -0.286 0.000 0.620 54 A CB -1.014 17.516 19.000 -0.784 0.000 0.822 54 A HN 0.380 nan 8.150 nan 0.000 0.443 55 L N -0.578 120.601 121.223 -0.074 0.000 2.093 55 L HA -0.102 4.229 4.340 -0.015 0.000 0.208 55 L C 2.649 179.495 176.870 -0.039 0.000 1.085 55 L CA 2.007 56.946 54.840 0.165 0.000 0.755 55 L CB -0.941 41.341 42.059 0.372 0.000 0.904 55 L HN 0.410 nan 8.230 nan 0.000 0.435 56 A N -1.043 121.604 122.820 -0.288 0.000 1.969 56 A HA -0.243 4.068 4.320 -0.015 0.000 0.218 56 A C 1.814 179.033 177.584 -0.608 0.000 1.169 56 A CA 1.537 53.312 52.037 -0.437 0.000 0.635 56 A CB -0.787 17.735 19.000 -0.797 0.000 0.810 56 A HN 0.659 nan 8.150 nan 0.000 0.445 57 H N -1.194 117.582 119.070 -0.491 0.000 2.436 57 H HA -0.012 4.535 4.556 -0.015 0.000 0.294 57 H C 2.226 177.310 175.328 -0.406 0.000 1.048 57 H CA 1.588 57.284 56.048 -0.586 0.000 1.353 57 H CB 0.092 29.275 29.762 -0.965 0.000 1.414 57 H HN 0.448 nan 8.280 nan 0.000 0.536 58 T N -0.128 114.363 114.554 -0.105 0.000 2.821 58 T HA -0.123 4.219 4.350 -0.015 0.000 0.267 58 T C 2.217 177.085 174.700 0.281 0.000 1.046 58 T CA 1.129 63.361 62.100 0.219 0.000 1.139 58 T CB -0.296 68.743 68.868 0.286 0.000 0.871 58 T HN 0.083 nan 8.240 nan 0.000 0.454 59 V N 2.553 122.563 119.914 0.160 0.000 2.323 59 V HA -0.167 3.944 4.120 -0.015 0.000 0.244 59 V C 2.687 178.934 176.094 0.256 0.000 1.041 59 V CA 2.000 64.416 62.300 0.193 0.000 1.025 59 V CB -0.566 31.384 31.823 0.212 0.000 0.656 59 V HN 0.469 nan 8.190 nan 0.000 0.451 60 R N 1.079 121.668 120.500 0.149 0.000 2.120 60 R HA -0.148 4.183 4.340 -0.015 0.000 0.234 60 R C 1.545 177.958 176.300 0.187 0.000 1.123 60 R CA 2.055 58.260 56.100 0.174 0.000 0.975 60 R CB -1.125 29.119 30.300 -0.093 0.000 0.866 60 R HN 0.410 nan 8.270 nan 0.000 0.446 61 D N 0.576 121.087 120.400 0.184 0.000 2.182 61 D HA -0.164 4.467 4.640 -0.015 0.000 0.201 61 D C 1.306 177.652 176.300 0.077 0.000 0.986 61 D CA 1.483 55.567 54.000 0.139 0.000 0.847 61 D CB -0.415 40.456 40.800 0.118 0.000 0.942 61 D HN 0.533 nan 8.370 nan 0.000 0.467 62 H N -0.172 118.967 119.070 0.114 0.000 2.561 62 H HA 0.065 4.613 4.556 -0.015 0.000 0.278 62 H C 1.709 177.092 175.328 0.091 0.000 1.014 62 H CA 0.507 56.611 56.048 0.093 0.000 1.211 62 H CB 0.003 29.816 29.762 0.084 0.000 1.365 62 H HN 0.200 nan 8.280 nan 0.000 0.594 63 L N -2.432 118.909 121.223 0.197 0.000 2.906 63 L HA 0.278 4.610 4.340 -0.015 0.000 0.255 63 L C 0.712 177.703 176.870 0.202 0.000 1.166 63 L CA 0.190 55.125 54.840 0.158 0.000 0.977 63 L CB 0.082 42.217 42.059 0.127 0.000 1.313 63 L HN 0.018 nan 8.230 nan 0.000 0.549 64 V N 1.262 121.295 119.914 0.198 0.000 2.591 64 V HA 0.006 4.118 4.120 -0.015 0.000 0.249 64 V C 2.630 178.819 176.094 0.159 0.000 1.053 64 V CA 2.033 64.469 62.300 0.226 0.000 1.068 64 V CB -0.070 31.852 31.823 0.165 0.000 0.689 64 V HN 0.645 nan 8.190 nan 0.000 0.462 65 G N -0.452 108.408 108.800 0.100 0.000 2.421 65 G HA2 -0.181 3.770 3.960 -0.015 0.000 0.217 65 G HA3 -0.181 3.770 3.960 -0.015 0.000 0.217 65 G C 1.713 176.658 174.900 0.075 0.000 1.143 65 G CA 0.379 45.517 45.100 0.063 0.000 0.784 65 G HN 0.401 nan 8.290 nan 0.000 0.541 66 R N -1.231 119.329 120.500 0.099 0.000 2.075 66 R HA 0.051 4.382 4.340 -0.015 0.000 0.226 66 R C 2.123 178.515 176.300 0.153 0.000 1.114 66 R CA 0.796 56.946 56.100 0.083 0.000 0.972 66 R CB -0.415 29.917 30.300 0.054 0.000 0.869 66 R HN 0.437 nan 8.270 nan 0.000 0.437 67 W N 1.340 122.636 121.300 -0.006 0.000 2.355 67 W HA -0.062 4.589 4.660 -0.014 0.000 0.309 67 W C 1.603 178.113 176.519 -0.015 0.000 1.206 67 W CA 1.012 58.352 57.345 -0.008 0.000 1.284 67 W CB -0.632 28.842 29.460 0.023 0.000 1.145 67 W HN -0.012 nan 8.180 nan 0.000 0.502 68 I N 0.195 120.830 120.570 0.108 0.000 2.208 68 I HA -0.324 3.837 4.170 -0.015 0.000 0.245 68 I C 2.809 178.934 176.117 0.013 0.000 1.097 68 I CA 1.387 62.677 61.300 -0.016 0.000 1.363 68 I CB -0.564 37.425 38.000 -0.019 0.000 1.051 68 I HN -0.135 nan 8.210 nan 0.000 0.413 69 R N 0.037 120.555 120.500 0.030 0.000 2.115 69 R HA -0.085 4.246 4.340 -0.015 0.000 0.226 69 R C 2.223 178.506 176.300 -0.027 0.000 1.100 69 R CA 1.614 57.718 56.100 0.007 0.000 0.980 69 R CB -0.299 30.000 30.300 -0.001 0.000 0.875 69 R HN 0.358 nan 8.270 nan 0.000 0.445 70 T N 0.849 115.370 114.554 -0.055 0.000 2.809 70 T HA -0.060 4.282 4.350 -0.015 0.000 0.260 70 T C 1.756 176.221 174.700 -0.392 0.000 1.039 70 T CA 0.725 62.679 62.100 -0.244 0.000 1.141 70 T CB 0.027 68.776 68.868 -0.200 0.000 0.869 70 T HN 0.140 nan 8.240 nan 0.000 0.437 71 Q N 0.934 120.667 119.800 -0.113 0.000 2.123 71 Q HA -0.031 4.301 4.340 -0.015 0.000 0.199 71 Q C 2.369 178.410 176.000 0.068 0.000 0.966 71 Q CA 1.149 56.957 55.803 0.008 0.000 0.845 71 Q CB -0.492 28.290 28.738 0.072 0.000 0.907 71 Q HN 0.422 nan 8.270 nan 0.000 0.439 72 Q N 0.339 120.177 119.800 0.062 0.000 2.084 72 Q HA -0.193 4.139 4.340 -0.015 0.000 0.202 72 Q C 1.864 177.951 176.000 0.145 0.000 0.978 72 Q CA 1.929 57.817 55.803 0.142 0.000 0.844 72 Q CB -0.431 28.370 28.738 0.106 0.000 0.898 72 Q HN 0.530 nan 8.270 nan 0.000 0.426 73 H N -1.063 117.986 119.070 -0.034 0.000 2.421 73 H HA -0.134 4.413 4.556 -0.015 0.000 0.298 73 H C 0.963 176.324 175.328 0.055 0.000 1.087 73 H CA 1.859 57.882 56.048 -0.041 0.000 1.330 73 H CB -0.180 29.510 29.762 -0.120 0.000 1.388 73 H HN 0.350 nan 8.280 nan 0.000 0.526 74 Y N -1.416 118.885 120.300 0.002 0.000 2.421 74 Y HA -0.134 4.407 4.550 -0.015 0.000 0.292 74 Y C 2.158 178.067 175.900 0.014 0.000 1.136 74 Y CA 0.854 58.929 58.100 -0.042 0.000 1.255 74 Y CB -0.963 37.541 38.460 0.073 0.000 0.991 74 Y HN 0.352 nan 8.280 nan 0.000 0.552 75 Y N 1.044 121.403 120.300 0.099 0.000 2.243 75 Y HA -0.075 4.466 4.550 -0.015 0.000 0.293 75 Y C 2.041 177.940 175.900 -0.002 0.000 1.124 75 Y CA 1.306 59.441 58.100 0.059 0.000 1.159 75 Y CB -0.362 38.137 38.460 0.066 0.000 1.008 75 Y HN 0.009 nan 8.280 nan 0.000 0.527 76 E N 0.631 120.668 120.200 -0.271 0.000 2.021 76 E HA -0.206 4.136 4.350 -0.015 0.000 0.200 76 E C 2.269 178.705 176.600 -0.273 0.000 1.015 76 E CA 1.734 57.947 56.400 -0.311 0.000 0.824 76 E CB -0.321 29.285 29.700 -0.156 0.000 0.762 76 E HN 0.154 nan 8.360 nan 0.000 0.454 77 K N 0.418 120.636 120.400 -0.304 0.000 2.209 77 K HA -0.169 4.143 4.320 -0.015 0.000 0.204 77 K C -0.053 176.461 176.600 -0.143 0.000 1.048 77 K CA 1.161 57.306 56.287 -0.237 0.000 0.940 77 K CB -0.172 32.102 32.500 -0.376 0.000 0.729 77 K HN 0.143 nan 8.250 nan 0.000 0.451 78 D N 0.438 120.775 120.400 -0.106 0.000 2.697 78 D HA -0.106 4.525 4.640 -0.015 0.000 0.238 78 D C -2.424 173.837 176.300 -0.066 0.000 1.152 78 D CA 0.161 54.124 54.000 -0.062 0.000 0.666 78 D CB -0.320 40.418 40.800 -0.103 0.000 1.037 78 D HN 0.219 nan 8.370 nan 0.000 0.423 79 P HA 0.045 nan 4.420 nan 0.000 0.270 79 P C -0.066 177.174 177.300 -0.101 0.000 1.223 79 P CA -0.276 62.768 63.100 -0.092 0.000 0.785 79 P CB 0.525 32.146 31.700 -0.133 0.000 0.923 80 K N 2.485 122.827 120.400 -0.098 0.000 2.430 80 K HA -0.017 4.294 4.320 -0.015 0.000 0.280 80 K C -0.035 176.464 176.600 -0.168 0.000 1.063 80 K CA 0.228 56.451 56.287 -0.106 0.000 1.071 80 K CB 0.058 32.509 32.500 -0.081 0.000 0.899 80 K HN 0.336 nan 8.250 nan 0.000 0.473 81 R N 3.547 123.940 120.500 -0.179 0.000 2.457 81 R HA 0.388 4.719 4.340 -0.015 0.000 0.284 81 R C -0.401 175.606 176.300 -0.488 0.000 1.024 81 R CA -0.615 55.297 56.100 -0.314 0.000 1.025 81 R CB 0.935 31.125 30.300 -0.183 0.000 1.063 81 R HN 0.496 nan 8.270 nan 0.000 0.493 82 I N 2.349 122.558 120.570 -0.601 0.000 2.404 82 I HA 0.252 4.413 4.170 -0.015 0.000 0.293 82 I C -1.098 174.677 176.117 -0.569 0.000 0.992 82 I CA -0.391 60.535 61.300 -0.623 0.000 1.149 82 I CB 1.106 38.618 38.000 -0.814 0.000 1.315 82 I HN 0.444 nan 8.210 nan 0.000 0.446 83 Y N 5.938 126.211 120.300 -0.044 0.000 2.328 83 Y HA 0.363 4.904 4.550 -0.014 0.000 0.336 83 Y C -0.762 175.240 175.900 0.169 0.000 0.960 83 Y CA -0.711 57.476 58.100 0.145 0.000 1.134 83 Y CB 1.090 39.580 38.460 0.049 0.000 1.166 83 Y HN 0.381 nan 8.280 nan 0.000 0.464 84 Y N 4.956 125.428 120.300 0.286 0.000 2.367 84 Y HA 0.530 5.071 4.550 -0.014 0.000 0.342 84 Y C -1.045 175.109 175.900 0.423 0.000 0.979 84 Y CA -0.996 57.291 58.100 0.311 0.000 1.161 84 Y CB 0.520 39.168 38.460 0.312 0.000 1.155 84 Y HN 0.454 nan 8.280 nan 0.000 0.503 85 L N 5.853 127.065 121.223 -0.018 0.000 2.305 85 L HA 0.549 4.880 4.340 -0.015 0.000 0.284 85 L C -0.286 176.545 176.870 -0.066 0.000 1.013 85 L CA -0.627 54.277 54.840 0.107 0.000 0.819 85 L CB 1.368 43.469 42.059 0.069 0.000 1.227 85 L HN 0.542 nan 8.230 nan 0.000 0.417 86 S N 2.155 117.881 115.700 0.044 0.000 2.548 86 S HA 0.496 4.957 4.470 -0.015 0.000 0.276 86 S C 0.189 174.821 174.600 0.053 0.000 1.129 86 S CA -0.504 57.626 58.200 -0.116 0.000 0.931 86 S CB 1.775 64.671 63.200 -0.508 0.000 1.068 86 S HN 0.572 nan 8.310 nan 0.000 0.480 87 L N 3.138 124.440 121.223 0.131 0.000 2.610 87 L HA 0.365 4.696 4.340 -0.015 0.000 0.232 87 L C 0.359 177.372 176.870 0.239 0.000 1.149 87 L CA 1.010 55.996 54.840 0.244 0.000 0.872 87 L CB -0.230 41.999 42.059 0.283 0.000 0.992 87 L HN 0.626 nan 8.230 nan 0.000 0.447 88 E N -1.034 119.175 120.200 0.015 0.000 2.290 88 E HA 0.405 4.746 4.350 -0.015 0.000 0.274 88 E C -1.395 174.981 176.600 -0.373 0.000 0.889 88 E CA -0.452 55.931 56.400 -0.029 0.000 0.760 88 E CB 1.881 31.570 29.700 -0.019 0.000 1.206 88 E HN -0.181 nan 8.360 nan 0.000 0.419 89 F N 2.255 122.296 119.950 0.151 0.000 2.828 89 F HA 0.172 4.690 4.527 -0.015 0.000 0.355 89 F C -0.932 174.950 175.800 0.138 0.000 1.200 89 F CA -0.710 57.374 58.000 0.141 0.000 1.062 89 F CB 0.988 40.059 39.000 0.118 0.000 1.351 89 F HN 0.474 nan 8.300 nan 0.000 0.504 90 Y N 5.377 125.759 120.300 0.136 0.000 2.907 90 Y HA 0.284 4.825 4.550 -0.014 0.000 0.332 90 Y C 0.908 176.837 175.900 0.048 0.000 1.211 90 Y CA -1.252 56.877 58.100 0.049 0.000 1.387 90 Y CB 0.411 38.881 38.460 0.017 0.000 1.396 90 Y HN 0.534 nan 8.280 nan 0.000 0.519 91 M N 1.284 121.010 119.600 0.210 0.000 2.254 91 M HA 0.091 4.562 4.480 -0.015 0.000 0.265 91 M C 1.486 177.770 176.300 -0.026 0.000 1.066 91 M CA 1.170 56.510 55.300 0.067 0.000 1.123 91 M CB -1.171 31.448 32.600 0.032 0.000 1.388 91 M HN 0.674 nan 8.290 nan 0.000 0.425 92 G N 1.230 110.027 108.800 -0.004 0.000 2.645 92 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.239 92 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.239 92 G C -0.323 174.538 174.900 -0.065 0.000 1.331 92 G CA -0.501 44.561 45.100 -0.062 0.000 0.890 92 G HN 0.436 nan 8.290 nan 0.000 0.572 93 R N -0.557 119.892 120.500 -0.086 0.000 2.582 93 R HA 0.460 4.791 4.340 -0.015 0.000 0.271 93 R C 1.218 177.412 176.300 -0.176 0.000 1.078 93 R CA 0.380 56.433 56.100 -0.078 0.000 1.127 93 R CB 0.421 30.683 30.300 -0.064 0.000 1.038 93 R HN 0.574 nan 8.270 nan 0.000 0.500 94 T N 1.272 115.659 114.554 -0.279 0.000 3.037 94 T HA -0.032 4.310 4.350 -0.015 0.000 0.252 94 T C 1.600 175.942 174.700 -0.597 0.000 1.073 94 T CA 0.003 61.749 62.100 -0.590 0.000 1.091 94 T CB 0.101 68.268 68.868 -1.168 0.000 0.935 94 T HN 0.332 nan 8.240 nan 0.000 0.488 95 L N 1.744 122.837 121.223 -0.217 0.000 2.005 95 L HA 0.027 4.358 4.340 -0.015 0.000 0.207 95 L C 2.521 179.381 176.870 -0.016 0.000 1.072 95 L CA 1.920 56.782 54.840 0.038 0.000 0.744 95 L CB -0.708 41.552 42.059 0.336 0.000 0.895 95 L HN 0.158 nan 8.230 nan 0.000 0.433 96 Q N -0.612 119.166 119.800 -0.037 0.000 2.084 96 Q HA -0.256 4.075 4.340 -0.015 0.000 0.202 96 Q C 2.203 178.153 176.000 -0.084 0.000 0.978 96 Q CA 2.003 57.779 55.803 -0.045 0.000 0.844 96 Q CB -0.324 28.380 28.738 -0.058 0.000 0.898 96 Q HN 0.737 nan 8.270 nan 0.000 0.426 97 N N -1.371 117.242 118.700 -0.145 0.000 2.104 97 N HA -0.158 4.573 4.740 -0.015 0.000 0.190 97 N C 1.270 176.698 175.510 -0.137 0.000 1.024 97 N CA 1.677 54.631 53.050 -0.161 0.000 0.853 97 N CB 0.070 38.425 38.487 -0.219 0.000 1.008 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 0.788 115.237 114.554 -0.176 0.000 2.867 98 T HA -0.040 4.301 4.350 -0.015 0.000 0.268 98 T C 1.849 176.522 174.700 -0.045 0.000 1.057 98 T CA 1.009 63.031 62.100 -0.130 0.000 1.136 98 T CB -0.020 68.750 68.868 -0.163 0.000 0.874 98 T HN 0.314 nan 8.240 nan 0.000 0.466 99 M N 0.283 119.869 119.600 -0.024 0.000 2.288 99 M HA 0.022 4.494 4.480 -0.015 0.000 0.266 99 M C 2.390 178.678 176.300 -0.020 0.000 1.072 99 M CA 0.722 56.016 55.300 -0.010 0.000 1.132 99 M CB -0.521 32.081 32.600 0.004 0.000 1.386 99 M HN 0.042 nan 8.290 nan 0.000 0.432 100 V N 1.543 121.448 119.914 -0.014 0.000 2.233 100 V HA -0.299 3.812 4.120 -0.015 0.000 0.247 100 V C 1.914 178.025 176.094 0.029 0.000 1.050 100 V CA 2.149 64.463 62.300 0.022 0.000 1.010 100 V CB -0.805 31.027 31.823 0.016 0.000 0.637 100 V HN 0.476 nan 8.190 nan 0.000 0.444 101 N N -0.363 118.347 118.700 0.017 0.000 2.381 101 N HA -0.065 4.666 4.740 -0.015 0.000 0.182 101 N C 1.049 176.469 175.510 -0.151 0.000 1.025 101 N CA 0.791 53.822 53.050 -0.031 0.000 0.888 101 N CB -0.159 38.329 38.487 0.001 0.000 0.965 101 N HN 0.266 nan 8.380 nan 0.000 0.438 102 L N -0.379 120.786 121.223 -0.097 0.000 2.640 102 L HA 0.404 4.735 4.340 -0.015 0.000 0.230 102 L C 0.737 177.550 176.870 -0.095 0.000 1.123 102 L CA -0.290 54.497 54.840 -0.088 0.000 0.900 102 L CB -0.987 41.056 42.059 -0.026 0.000 1.146 102 L HN 0.124 nan 8.230 nan 0.000 0.484 103 A N -0.823 121.933 122.820 -0.107 0.000 2.905 103 A HA -0.227 4.084 4.320 -0.015 0.000 0.260 103 A C 1.174 178.728 177.584 -0.050 0.000 1.398 103 A CA 1.058 53.045 52.037 -0.083 0.000 0.840 103 A CB -2.014 16.921 19.000 -0.108 0.000 1.059 103 A HN 0.240 nan 8.150 nan 0.000 0.647 104 L N -0.489 120.706 121.223 -0.047 0.000 2.616 104 L HA 0.228 4.559 4.340 -0.015 0.000 0.229 104 L C 1.903 178.754 176.870 -0.031 0.000 1.110 104 L CA 1.605 56.414 54.840 -0.052 0.000 0.884 104 L CB -0.209 41.802 42.059 -0.081 0.000 1.115 104 L HN 0.605 nan 8.230 nan 0.000 0.481 105 E N -0.092 120.099 120.200 -0.016 0.000 2.153 105 E HA -0.233 4.108 4.350 -0.015 0.000 0.194 105 E C 1.624 178.226 176.600 0.003 0.000 0.988 105 E CA 1.520 57.918 56.400 -0.002 0.000 0.811 105 E CB 0.130 29.831 29.700 0.002 0.000 0.746 105 E HN 0.612 nan 8.360 nan 0.000 0.466 106 N N -0.562 118.140 118.700 0.002 0.000 2.171 106 N HA -0.092 4.640 4.740 -0.015 0.000 0.184 106 N C 1.745 177.259 175.510 0.008 0.000 1.021 106 N CA 0.829 53.885 53.050 0.009 0.000 0.854 106 N CB -0.045 38.447 38.487 0.008 0.000 0.994 106 N HN 0.144 nan 8.380 nan 0.000 0.426 107 A N 0.471 123.288 122.820 -0.004 0.000 1.872 107 A HA -0.098 4.213 4.320 -0.015 0.000 0.214 107 A C 2.352 179.934 177.584 -0.005 0.000 1.187 107 A CA 0.857 52.890 52.037 -0.007 0.000 0.614 107 A CB -0.868 18.121 19.000 -0.018 0.000 0.826 107 A HN 0.455 nan 8.150 nan 0.000 0.442 108 C N -0.374 118.921 119.300 -0.009 0.000 2.411 108 C HA -0.105 4.347 4.460 -0.015 0.000 0.279 108 C C 2.364 177.359 174.990 0.008 0.000 1.288 108 C CA 1.199 60.221 59.018 0.005 0.000 1.764 108 C CB -1.185 26.567 27.740 0.020 0.000 1.974 108 C HN 0.625 nan 8.230 nan 0.000 0.498 109 D N 0.293 120.703 120.400 0.017 0.000 2.149 109 D HA -0.083 4.548 4.640 -0.015 0.000 0.201 109 D C 2.329 178.675 176.300 0.076 0.000 0.972 109 D CA 0.977 54.997 54.000 0.032 0.000 0.835 109 D CB -0.247 40.576 40.800 0.040 0.000 0.966 109 D HN 0.331 nan 8.370 nan 0.000 0.476 110 E N 0.345 120.583 120.200 0.064 0.000 2.047 110 E HA -0.041 4.300 4.350 -0.015 0.000 0.191 110 E C 1.958 178.584 176.600 0.043 0.000 0.987 110 E CA 0.912 57.351 56.400 0.065 0.000 0.799 110 E CB -0.348 29.357 29.700 0.010 0.000 0.752 110 E HN 0.215 nan 8.360 nan 0.000 0.449 111 A N 0.458 123.283 122.820 0.008 0.000 1.908 111 A HA -0.192 4.120 4.320 -0.015 0.000 0.218 111 A C 2.413 179.954 177.584 -0.072 0.000 1.181 111 A CA 2.826 54.851 52.037 -0.020 0.000 0.627 111 A CB -1.070 17.923 19.000 -0.012 0.000 0.818 111 A HN 0.442 nan 8.150 nan 0.000 0.445 112 T N -4.013 110.484 114.554 -0.095 0.000 2.904 112 T HA -0.155 4.186 4.350 -0.015 0.000 0.267 112 T C 1.824 176.445 174.700 -0.132 0.000 1.059 112 T CA 1.330 63.298 62.100 -0.219 0.000 1.137 112 T CB -0.501 68.243 68.868 -0.206 0.000 0.879 112 T HN 0.361 nan 8.240 nan 0.000 0.467 113 Y N 2.344 122.563 120.300 -0.135 0.000 2.014 113 Y HA -0.169 4.372 4.550 -0.015 0.000 0.270 113 Y C 2.769 178.606 175.900 -0.105 0.000 1.145 113 Y CA 1.587 59.628 58.100 -0.100 0.000 1.106 113 Y CB -1.146 37.276 38.460 -0.064 0.000 0.968 113 Y HN 0.208 nan 8.280 nan 0.000 0.484 114 Q N -0.157 119.750 119.800 0.178 0.000 2.118 114 Q HA -0.250 4.081 4.340 -0.015 0.000 0.211 114 Q C 2.230 178.230 176.000 -0.000 0.000 0.998 114 Q CA 2.594 58.426 55.803 0.047 0.000 0.872 114 Q CB -0.519 28.211 28.738 -0.014 0.000 0.925 114 Q HN 0.567 nan 8.270 nan 0.000 0.414 115 L N -1.341 119.832 121.223 -0.083 0.000 2.551 115 L HA 0.018 4.349 4.340 -0.015 0.000 0.228 115 L C 1.014 177.794 176.870 -0.151 0.000 1.153 115 L CA 0.487 55.236 54.840 -0.153 0.000 0.851 115 L CB -0.175 41.677 42.059 -0.345 0.000 0.959 115 L HN 0.532 nan 8.230 nan 0.000 0.451 116 G N -0.478 108.262 108.800 -0.101 0.000 2.164 116 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.212 116 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.212 116 G C 0.392 175.189 174.900 -0.172 0.000 1.031 116 G CA 0.148 45.194 45.100 -0.090 0.000 0.730 116 G HN 0.307 nan 8.290 nan 0.000 0.501 117 L N -0.908 120.178 121.223 -0.229 0.000 2.600 117 L HA 0.398 4.729 4.340 -0.015 0.000 0.213 117 L C 0.850 177.598 176.870 -0.204 0.000 1.045 117 L CA 0.471 55.157 54.840 -0.256 0.000 0.863 117 L CB 0.298 42.133 42.059 -0.373 0.000 1.189 117 L HN 0.318 nan 8.230 nan 0.000 0.484 118 D N 0.152 120.418 120.400 -0.224 0.000 4.669 118 D HA -0.230 4.401 4.640 -0.015 0.000 0.240 118 D C 0.591 176.835 176.300 -0.094 0.000 1.111 118 D CA 0.423 54.316 54.000 -0.178 0.000 1.179 118 D CB -0.324 40.385 40.800 -0.152 0.000 0.750 118 D HN 0.243 nan 8.370 nan 0.000 0.360 119 M N 2.616 122.171 119.600 -0.074 0.000 2.213 119 M HA -0.126 4.345 4.480 -0.015 0.000 0.263 119 M C 1.701 178.004 176.300 0.005 0.000 1.062 119 M CA 1.486 56.777 55.300 -0.015 0.000 1.105 119 M CB 0.059 32.655 32.600 -0.006 0.000 1.385 119 M HN 0.457 nan 8.290 nan 0.000 0.417 120 E N -0.030 120.163 120.200 -0.012 0.000 2.204 120 E HA -0.201 4.140 4.350 -0.015 0.000 0.194 120 E C 1.742 178.345 176.600 0.004 0.000 0.989 120 E CA 1.242 57.642 56.400 -0.001 0.000 0.824 120 E CB -0.032 29.665 29.700 -0.004 0.000 0.756 120 E HN 0.674 nan 8.360 nan 0.000 0.477 121 E N 0.307 120.506 120.200 -0.002 0.000 2.072 121 E HA -0.153 4.188 4.350 -0.015 0.000 0.190 121 E C 1.974 178.588 176.600 0.024 0.000 0.982 121 E CA 0.561 56.965 56.400 0.007 0.000 0.803 121 E CB 0.053 29.755 29.700 0.002 0.000 0.755 121 E HN 0.086 nan 8.360 nan 0.000 0.453 122 L N 1.544 122.799 121.223 0.054 0.000 2.083 122 L HA -0.181 4.150 4.340 -0.015 0.000 0.209 122 L C 2.049 178.959 176.870 0.066 0.000 1.083 122 L CA 1.626 56.538 54.840 0.120 0.000 0.752 122 L CB -0.623 41.559 42.059 0.205 0.000 0.899 122 L HN 0.098 nan 8.230 nan 0.000 0.433 123 E N -0.668 119.560 120.200 0.046 0.000 2.077 123 E HA -0.268 4.073 4.350 -0.015 0.000 0.193 123 E C 1.981 178.530 176.600 -0.085 0.000 0.989 123 E CA 1.131 57.533 56.400 0.003 0.000 0.800 123 E CB -0.047 29.660 29.700 0.013 0.000 0.746 123 E HN 0.334 nan 8.360 nan 0.000 0.452 124 E N 0.378 120.546 120.200 -0.053 0.000 2.401 124 E HA -0.142 4.199 4.350 -0.015 0.000 0.199 124 E C 1.328 177.865 176.600 -0.105 0.000 1.023 124 E CA 0.467 56.837 56.400 -0.050 0.000 0.859 124 E CB 0.047 29.747 29.700 -0.000 0.000 0.780 124 E HN 0.149 nan 8.360 nan 0.000 0.523 125 I N 0.648 121.099 120.570 -0.198 0.000 2.876 125 I HA -0.008 4.153 4.170 -0.015 0.000 0.264 125 I C 0.886 176.708 176.117 -0.491 0.000 1.204 125 I CA 0.336 61.476 61.300 -0.266 0.000 1.485 125 I CB -0.223 37.661 38.000 -0.192 0.000 1.103 125 I HN 0.072 nan 8.210 nan 0.000 0.446 126 E N 1.789 121.568 120.200 -0.703 0.000 2.414 126 E HA -0.033 4.308 4.350 -0.015 0.000 0.263 126 E C -0.055 176.452 176.600 -0.155 0.000 1.000 126 E CA 0.017 56.066 56.400 -0.585 0.000 0.914 126 E CB 0.524 29.979 29.700 -0.410 0.000 0.948 126 E HN 0.200 nan 8.360 nan 0.000 0.444 127 E N 2.682 122.880 120.200 -0.004 0.000 2.277 127 E HA 0.109 4.450 4.350 -0.015 0.000 0.274 127 E C -1.183 175.519 176.600 0.171 0.000 1.022 127 E CA -0.617 55.852 56.400 0.115 0.000 0.853 127 E CB 0.941 30.761 29.700 0.200 0.000 1.086 127 E HN 0.424 nan 8.360 nan 0.000 0.397 128 D N 1.386 121.868 120.400 0.138 0.000 2.382 128 D HA 0.207 4.838 4.640 -0.015 0.000 0.245 128 D C -0.742 175.615 176.300 0.094 0.000 1.120 128 D CA 0.154 54.211 54.000 0.095 0.000 0.890 128 D CB 1.016 41.851 40.800 0.058 0.000 1.201 128 D HN 0.402 nan 8.370 nan 0.000 0.433 129 A N 2.434 125.255 122.820 0.001 0.000 2.915 129 A HA 0.453 4.764 4.320 -0.015 0.000 0.292 129 A C 0.986 178.454 177.584 -0.194 0.000 1.632 129 A CA -0.525 51.341 52.037 -0.284 0.000 1.337 129 A CB -0.435 18.473 19.000 -0.153 0.000 1.111 129 A HN 0.582 nan 8.150 nan 0.000 0.569 130 G N 1.278 109.926 108.800 -0.254 0.000 3.717 130 G HA2 0.410 4.361 3.960 -0.015 0.000 0.258 130 G HA3 0.410 4.361 3.960 -0.015 0.000 0.258 130 G C 0.133 174.823 174.900 -0.349 0.000 1.088 130 G CA -0.174 44.822 45.100 -0.174 0.000 1.737 130 G HN 0.496 nan 8.290 nan 0.000 0.648 131 L N 1.595 122.668 121.223 -0.250 0.000 2.805 131 L HA 0.437 4.768 4.340 -0.015 0.000 0.237 131 L C 1.116 177.943 176.870 -0.072 0.000 1.252 131 L CA -0.254 54.538 54.840 -0.079 0.000 1.064 131 L CB -0.035 42.030 42.059 0.010 0.000 1.361 131 L HN 0.297 nan 8.230 nan 0.000 0.474 132 G N -1.996 106.543 108.800 -0.435 0.000 2.692 132 G HA2 0.225 4.176 3.960 -0.015 0.000 0.291 132 G HA3 0.225 4.176 3.960 -0.015 0.000 0.291 132 G C 0.177 174.522 174.900 -0.925 0.000 1.423 132 G CA -0.459 44.339 45.100 -0.503 0.000 0.843 132 G HN -0.113 nan 8.290 nan 0.000 0.486 133 N N -0.771 117.669 118.700 -0.432 0.000 2.432 133 N HA 0.213 4.945 4.740 -0.015 0.000 0.174 133 N C 1.201 176.715 175.510 0.007 0.000 1.037 133 N CA 1.346 54.253 53.050 -0.238 0.000 0.892 133 N CB 1.185 39.645 38.487 -0.046 0.000 1.049 133 N HN 0.860 nan 8.380 nan 0.000 0.442 134 G N -0.760 108.173 108.800 0.222 0.000 2.667 134 G HA2 0.121 4.072 3.960 -0.015 0.000 0.081 134 G HA3 0.121 4.072 3.960 -0.015 0.000 0.081 134 G C 0.785 175.851 174.900 0.277 0.000 1.105 134 G CA 0.244 45.551 45.100 0.344 0.000 1.326 134 G HN 0.185 nan 8.290 nan 0.000 0.603 135 G N 0.894 109.795 108.800 0.169 0.000 2.480 135 G HA2 0.072 4.024 3.960 -0.015 0.000 0.216 135 G HA3 0.072 4.024 3.960 -0.015 0.000 0.216 135 G C 1.967 176.907 174.900 0.067 0.000 1.200 135 G CA 2.492 47.655 45.100 0.105 0.000 0.782 135 G HN 1.306 nan 8.290 nan 0.000 0.554 136 L N 0.164 121.399 121.223 0.020 0.000 2.291 136 L HA 0.381 4.712 4.340 -0.015 0.000 0.214 136 L C 2.481 179.312 176.870 -0.065 0.000 1.120 136 L CA 1.714 56.488 54.840 -0.110 0.000 0.799 136 L CB -1.075 40.733 42.059 -0.418 0.000 0.925 136 L HN 0.093 nan 8.230 nan 0.000 0.446 137 G N -0.272 108.554 108.800 0.043 0.000 2.453 137 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.215 137 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.215 137 G C 1.726 176.728 174.900 0.171 0.000 1.201 137 G CA 0.540 45.705 45.100 0.109 0.000 0.784 137 G HN 0.247 nan 8.290 nan 0.000 0.545 138 R N -0.010 120.617 120.500 0.213 0.000 2.091 138 R HA -0.021 4.310 4.340 -0.015 0.000 0.238 138 R C 2.558 178.880 176.300 0.037 0.000 1.136 138 R CA 1.109 57.269 56.100 0.100 0.000 0.959 138 R CB -1.031 29.273 30.300 0.007 0.000 0.856 138 R HN 0.399 nan 8.270 nan 0.000 0.437 139 L N 0.521 121.712 121.223 -0.053 0.000 2.131 139 L HA -0.061 4.270 4.340 -0.015 0.000 0.210 139 L C 2.155 178.770 176.870 -0.425 0.000 1.092 139 L CA 2.063 56.755 54.840 -0.247 0.000 0.759 139 L CB -0.655 41.244 42.059 -0.267 0.000 0.903 139 L HN 0.168 nan 8.230 nan 0.000 0.435 140 A N -0.731 121.970 122.820 -0.198 0.000 1.898 140 A HA -0.028 4.284 4.320 -0.015 0.000 0.216 140 A C 2.447 180.127 177.584 0.159 0.000 1.181 140 A CA 1.497 53.494 52.037 -0.067 0.000 0.620 140 A CB -1.031 17.891 19.000 -0.130 0.000 0.819 140 A HN 0.522 nan 8.150 nan 0.000 0.442 141 A N -0.808 122.136 122.820 0.207 0.000 1.877 141 A HA -0.185 4.126 4.320 -0.015 0.000 0.216 141 A C 2.301 179.966 177.584 0.136 0.000 1.186 141 A CA 1.721 53.891 52.037 0.221 0.000 0.620 141 A CB -1.319 17.790 19.000 0.181 0.000 0.822 141 A HN 0.596 nan 8.150 nan 0.000 0.443 142 C N -1.640 117.737 119.300 0.128 0.000 2.425 142 C HA -0.064 4.387 4.460 -0.015 0.000 0.277 142 C C 2.414 177.551 174.990 0.245 0.000 1.280 142 C CA 0.617 59.739 59.018 0.174 0.000 1.744 142 C CB -1.659 26.211 27.740 0.217 0.000 1.989 142 C HN 0.598 nan 8.230 nan 0.000 0.491 143 F N 0.502 120.434 119.950 -0.031 0.000 2.134 143 F HA -0.072 4.446 4.527 -0.015 0.000 0.299 143 F C 2.124 177.860 175.800 -0.107 0.000 1.097 143 F CA 1.061 58.988 58.000 -0.123 0.000 1.264 143 F CB -1.261 37.535 39.000 -0.340 0.000 1.001 143 F HN 0.083 nan 8.300 nan 0.000 0.479 144 L N 0.279 121.582 121.223 0.134 0.000 2.017 144 L HA -0.232 4.099 4.340 -0.015 0.000 0.208 144 L C 2.391 179.266 176.870 0.008 0.000 1.073 144 L CA 1.845 56.714 54.840 0.047 0.000 0.745 144 L CB -1.186 40.904 42.059 0.051 0.000 0.894 144 L HN 0.184 nan 8.230 nan 0.000 0.432 145 D N -1.125 119.290 120.400 0.024 0.000 2.106 145 D HA -0.194 4.437 4.640 -0.015 0.000 0.191 145 D C 1.854 178.162 176.300 0.014 0.000 0.997 145 D CA 1.796 55.798 54.000 0.003 0.000 0.834 145 D CB 0.370 41.173 40.800 0.004 0.000 0.956 145 D HN 0.325 nan 8.370 nan 0.000 0.448 146 S N -0.212 115.509 115.700 0.034 0.000 2.423 146 S HA -0.066 4.395 4.470 -0.015 0.000 0.231 146 S C 2.043 176.640 174.600 -0.005 0.000 1.014 146 S CA 0.644 58.854 58.200 0.017 0.000 0.965 146 S CB -0.071 63.140 63.200 0.019 0.000 0.785 146 S HN 0.338 nan 8.310 nan 0.000 0.495 147 M N 0.890 120.478 119.600 -0.020 0.000 2.200 147 M HA 0.018 4.489 4.480 -0.015 0.000 0.265 147 M C 2.406 178.689 176.300 -0.029 0.000 1.066 147 M CA 1.199 56.476 55.300 -0.038 0.000 1.127 147 M CB -0.379 32.174 32.600 -0.078 0.000 1.379 147 M HN 0.379 nan 8.290 nan 0.000 0.420 148 A N -0.274 122.531 122.820 -0.024 0.000 1.897 148 A HA -0.101 4.210 4.320 -0.015 0.000 0.215 148 A C 2.179 179.770 177.584 0.012 0.000 1.181 148 A CA 1.903 53.932 52.037 -0.013 0.000 0.620 148 A CB -1.076 17.903 19.000 -0.035 0.000 0.821 148 A HN 0.380 nan 8.150 nan 0.000 0.443 149 T N 0.743 115.310 114.554 0.022 0.000 2.699 149 T HA -0.109 4.232 4.350 -0.015 0.000 0.268 149 T C 1.396 176.119 174.700 0.039 0.000 1.036 149 T CA 1.498 63.626 62.100 0.046 0.000 1.147 149 T CB -0.377 68.524 68.868 0.055 0.000 0.862 149 T HN 0.358 nan 8.240 nan 0.000 0.446 150 L N 0.679 121.918 121.223 0.026 0.000 2.627 150 L HA 0.268 4.599 4.340 -0.015 0.000 0.232 150 L C 1.578 178.466 176.870 0.029 0.000 1.150 150 L CA 0.003 54.859 54.840 0.026 0.000 0.917 150 L CB -0.869 41.202 42.059 0.020 0.000 1.104 150 L HN 0.426 nan 8.230 nan 0.000 0.445 151 G N 1.188 110.009 108.800 0.036 0.000 2.323 151 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.292 151 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.292 151 G C -0.229 174.700 174.900 0.049 0.000 1.040 151 G CA -0.057 45.080 45.100 0.062 0.000 0.942 151 G HN 0.138 nan 8.290 nan 0.000 0.506 152 L N 0.071 121.289 121.223 -0.009 0.000 2.343 152 L HA 0.742 5.074 4.340 -0.015 0.000 0.275 152 L C 1.003 177.723 176.870 -0.251 0.000 1.056 152 L CA -0.295 54.484 54.840 -0.103 0.000 0.804 152 L CB 1.520 43.523 42.059 -0.094 0.000 1.203 152 L HN 0.518 nan 8.230 nan 0.000 0.440 153 A N 3.245 125.767 122.820 -0.497 0.000 3.091 153 A HA 0.669 4.980 4.320 -0.015 0.000 0.264 153 A C 0.274 177.421 177.584 -0.728 0.000 1.673 153 A CA -0.104 51.339 52.037 -0.991 0.000 1.362 153 A CB -0.847 17.433 19.000 -1.201 0.000 1.137 153 A HN 0.688 nan 8.150 nan 0.000 0.617 154 A N 0.753 123.225 122.820 -0.580 0.000 2.320 154 A HA 0.820 5.131 4.320 -0.015 0.000 0.334 154 A C -1.031 176.237 177.584 -0.528 0.000 1.147 154 A CA -0.415 51.334 52.037 -0.480 0.000 0.820 154 A CB 0.681 19.493 19.000 -0.314 0.000 1.218 154 A HN 0.566 nan 8.150 nan 0.000 0.482 155 Y N -0.211 120.028 120.300 -0.102 0.000 2.406 155 Y HA 0.547 5.089 4.550 -0.014 0.000 0.340 155 Y C 0.709 176.740 175.900 0.217 0.000 0.975 155 Y CA -0.534 57.609 58.100 0.073 0.000 1.056 155 Y CB 2.335 40.960 38.460 0.274 0.000 1.210 155 Y HN 0.846 nan 8.280 nan 0.000 0.448 156 G N 1.981 110.912 108.800 0.218 0.000 2.332 156 G HA2 0.517 4.468 3.960 -0.015 0.000 0.310 156 G HA3 0.517 4.468 3.960 -0.015 0.000 0.310 156 G C -1.870 173.132 174.900 0.170 0.000 1.123 156 G CA -0.352 44.899 45.100 0.252 0.000 0.873 156 G HN 0.502 nan 8.290 nan 0.000 0.460 157 Y N 0.577 121.116 120.300 0.397 0.000 2.442 157 Y HA 0.658 5.199 4.550 -0.015 0.000 0.344 157 Y C 0.699 176.911 175.900 0.519 0.000 0.976 157 Y CA 0.169 58.482 58.100 0.356 0.000 1.040 157 Y CB 2.844 41.514 38.460 0.351 0.000 1.228 157 Y HN 0.905 nan 8.280 nan 0.000 0.451 158 G N 2.122 111.265 108.800 0.572 0.000 2.772 158 G HA2 0.522 4.473 3.960 -0.015 0.000 0.284 158 G HA3 0.522 4.473 3.960 -0.015 0.000 0.284 158 G C -1.803 173.322 174.900 0.375 0.000 1.217 158 G CA -0.814 44.586 45.100 0.500 0.000 0.831 158 G HN 0.395 nan 8.290 nan 0.000 0.523 159 I N 0.895 121.565 120.570 0.166 0.000 2.404 159 I HA 0.414 4.575 4.170 -0.015 0.000 0.293 159 I C 0.074 176.078 176.117 -0.189 0.000 0.992 159 I CA -0.650 60.643 61.300 -0.011 0.000 1.149 159 I CB 1.960 39.708 38.000 -0.420 0.000 1.315 159 I HN 0.402 nan 8.210 nan 0.000 0.446 160 R N 6.123 126.614 120.500 -0.015 0.000 2.308 160 R HA 0.246 4.577 4.340 -0.015 0.000 0.325 160 R C -1.364 174.966 176.300 0.051 0.000 1.161 160 R CA -0.332 55.784 56.100 0.027 0.000 1.022 160 R CB 0.115 30.411 30.300 -0.007 0.000 1.091 160 R HN 0.370 nan 8.270 nan 0.000 0.497 161 Y N 1.790 122.259 120.300 0.281 0.000 2.304 161 Y HA 0.048 4.589 4.550 -0.015 0.000 0.327 161 Y C 1.409 177.517 175.900 0.347 0.000 1.209 161 Y CA -0.365 57.891 58.100 0.261 0.000 1.299 161 Y CB 1.182 39.760 38.460 0.197 0.000 1.249 161 Y HN 0.578 nan 8.280 nan 0.000 0.519 162 E N 1.337 121.757 120.200 0.367 0.000 2.158 162 E HA -0.022 4.319 4.350 -0.015 0.000 0.191 162 E C -0.767 175.828 176.600 -0.009 0.000 0.982 162 E CA 0.774 57.223 56.400 0.081 0.000 0.823 162 E CB 0.157 29.766 29.700 -0.152 0.000 0.766 162 E HN 0.374 nan 8.360 nan 0.000 0.468 163 F N 0.064 120.231 119.950 0.361 0.000 2.445 163 F HA 0.379 4.898 4.527 -0.015 0.000 0.348 163 F C 0.835 176.682 175.800 0.078 0.000 1.125 163 F CA -0.875 57.263 58.000 0.229 0.000 0.983 163 F CB 1.583 40.651 39.000 0.114 0.000 1.198 163 F HN -0.154 nan 8.300 nan 0.000 0.436 164 G N 2.751 111.613 108.800 0.103 0.000 2.546 164 G HA2 0.207 4.158 3.960 -0.015 0.000 0.239 164 G HA3 0.207 4.158 3.960 -0.015 0.000 0.239 164 G C -0.103 174.747 174.900 -0.084 0.000 1.476 164 G CA -0.590 44.442 45.100 -0.115 0.000 1.064 164 G HN 0.510 nan 8.290 nan 0.000 0.561 165 I N 1.409 121.865 120.570 -0.190 0.000 2.692 165 I HA 0.168 4.330 4.170 -0.015 0.000 0.284 165 I C 0.722 176.770 176.117 -0.115 0.000 1.159 165 I CA -0.573 60.594 61.300 -0.222 0.000 1.423 165 I CB 0.242 38.016 38.000 -0.377 0.000 1.380 165 I HN 0.373 nan 8.210 nan 0.000 0.580 166 F N 7.454 127.399 119.950 -0.009 0.000 2.587 166 F HA 0.172 4.690 4.527 -0.015 0.000 0.327 166 F C 0.227 176.062 175.800 0.058 0.000 1.232 166 F CA -0.449 57.568 58.000 0.029 0.000 1.353 166 F CB -0.246 38.760 39.000 0.010 0.000 1.156 166 F HN 0.401 nan 8.300 nan 0.000 0.599 167 N N 1.040 119.980 118.700 0.399 0.000 2.399 167 N HA 0.152 4.883 4.740 -0.015 0.000 0.295 167 N C -1.433 174.331 175.510 0.423 0.000 1.048 167 N CA -0.535 52.692 53.050 0.295 0.000 0.886 167 N CB 1.729 40.346 38.487 0.217 0.000 1.185 167 N HN 0.724 nan 8.380 nan 0.000 0.487 168 Q N 2.121 122.139 119.800 0.363 0.000 2.322 168 Q HA 0.307 4.638 4.340 -0.015 0.000 0.265 168 Q C -1.231 174.925 176.000 0.259 0.000 0.985 168 Q CA -0.698 55.336 55.803 0.385 0.000 0.849 168 Q CB 1.259 30.262 28.738 0.442 0.000 1.274 168 Q HN 0.342 nan 8.270 nan 0.000 0.449 169 K N 3.968 124.491 120.400 0.206 0.000 2.270 169 K HA 0.482 4.793 4.320 -0.015 0.000 0.255 169 K C -1.567 175.112 176.600 0.133 0.000 0.936 169 K CA -0.475 55.907 56.287 0.160 0.000 0.809 169 K CB 1.243 33.819 32.500 0.126 0.000 1.131 169 K HN 0.571 nan 8.250 nan 0.000 0.427 170 I N 3.740 124.377 120.570 0.112 0.000 2.377 170 I HA 0.363 4.524 4.170 -0.015 0.000 0.293 170 I C -1.076 175.082 176.117 0.069 0.000 0.987 170 I CA -0.132 61.204 61.300 0.060 0.000 1.185 170 I CB 1.579 39.572 38.000 -0.011 0.000 1.341 170 I HN 0.636 nan 8.210 nan 0.000 0.455 171 C N 4.977 124.330 119.300 0.089 0.000 2.442 171 C HA 0.608 5.059 4.460 -0.015 0.000 0.335 171 C C 0.894 175.982 174.990 0.162 0.000 1.134 171 C CA -0.508 58.571 59.018 0.103 0.000 1.344 171 C CB 0.351 28.148 27.740 0.094 0.000 1.956 171 C HN 1.075 nan 8.230 nan 0.000 0.438 172 G N 2.193 111.063 108.800 0.116 0.000 2.168 172 G HA2 0.107 4.058 3.960 -0.015 0.000 0.257 172 G HA3 0.107 4.058 3.960 -0.015 0.000 0.257 172 G C 1.106 176.011 174.900 0.009 0.000 0.997 172 G CA 1.110 46.293 45.100 0.139 0.000 0.708 172 G HN 2.407 nan 8.290 nan 0.000 0.520 173 G N -2.798 105.947 108.800 -0.092 0.000 2.195 173 G HA2 -0.260 3.691 3.960 -0.015 0.000 0.246 173 G HA3 -0.260 3.691 3.960 -0.015 0.000 0.246 173 G C 0.341 174.987 174.900 -0.424 0.000 0.984 173 G CA 0.582 45.498 45.100 -0.306 0.000 0.633 173 G HN 1.214 nan 8.290 nan 0.000 0.525 174 W N 1.235 122.480 121.300 -0.093 0.000 2.449 174 W HA 0.681 5.332 4.660 -0.015 0.000 0.331 174 W C 0.697 177.162 176.519 -0.091 0.000 1.119 174 W CA -0.793 56.493 57.345 -0.097 0.000 1.240 174 W CB 0.653 30.075 29.460 -0.063 0.000 1.251 174 W HN 0.292 nan 8.180 nan 0.000 0.576 175 Q N 2.020 121.895 119.800 0.124 0.000 2.364 175 Q HA 0.251 4.582 4.340 -0.015 0.000 0.267 175 Q C -0.947 175.101 176.000 0.080 0.000 0.999 175 Q CA 0.142 56.001 55.803 0.093 0.000 0.886 175 Q CB 0.522 29.317 28.738 0.095 0.000 1.243 175 Q HN 0.409 nan 8.270 nan 0.000 0.415 176 M N 4.058 123.692 119.600 0.056 0.000 2.190 176 M HA 0.269 4.740 4.480 -0.015 0.000 0.312 176 M C -1.353 174.921 176.300 -0.044 0.000 0.990 176 M CA -0.464 54.836 55.300 -0.001 0.000 0.927 176 M CB 2.003 34.623 32.600 0.033 0.000 1.571 176 M HN 0.544 nan 8.290 nan 0.000 0.427 177 E N 2.923 122.991 120.200 -0.220 0.000 2.231 177 E HA 0.501 4.842 4.350 -0.015 0.000 0.277 177 E C -1.020 175.513 176.600 -0.112 0.000 0.999 177 E CA -0.482 55.708 56.400 -0.350 0.000 0.827 177 E CB 1.498 30.611 29.700 -0.978 0.000 1.101 177 E HN 0.566 nan 8.360 nan 0.000 0.393 178 E N 0.532 120.766 120.200 0.057 0.000 2.272 178 E HA 0.446 4.788 4.350 -0.015 0.000 0.269 178 E C -0.979 175.698 176.600 0.128 0.000 0.877 178 E CA -1.085 55.359 56.400 0.072 0.000 0.755 178 E CB 2.217 31.979 29.700 0.103 0.000 1.192 178 E HN 0.649 nan 8.360 nan 0.000 0.422 179 A N 2.801 125.665 122.820 0.073 0.000 2.581 179 A HA -0.120 4.191 4.320 -0.015 0.000 0.257 179 A C 0.059 177.828 177.584 0.308 0.000 1.022 179 A CA 0.450 52.563 52.037 0.127 0.000 0.812 179 A CB -0.282 18.756 19.000 0.062 0.000 0.918 179 A HN 0.566 nan 8.150 nan 0.000 0.516 180 D N 2.318 122.948 120.400 0.383 0.000 2.435 180 D HA 0.119 4.751 4.640 -0.015 0.000 0.230 180 D C -0.403 176.168 176.300 0.452 0.000 1.215 180 D CA -0.038 54.166 54.000 0.339 0.000 0.947 180 D CB 0.319 41.252 40.800 0.222 0.000 1.048 180 D HN 0.384 nan 8.370 nan 0.000 0.512 181 D N 4.441 125.038 120.400 0.329 0.000 2.688 181 D HA -0.005 4.626 4.640 -0.015 0.000 0.228 181 D C 0.889 177.208 176.300 0.033 0.000 1.116 181 D CA -0.357 53.708 54.000 0.109 0.000 1.023 181 D CB -0.043 40.844 40.800 0.145 0.000 1.100 181 D HN 0.626 nan 8.370 nan 0.000 0.487 182 W N 1.672 122.892 121.300 -0.133 0.000 2.658 182 W HA 0.066 4.717 4.660 -0.015 0.000 0.263 182 W C 0.467 176.951 176.519 -0.058 0.000 1.274 182 W CA -0.132 57.176 57.345 -0.063 0.000 1.343 182 W CB -0.740 28.720 29.460 -0.000 0.000 1.106 182 W HN 0.077 nan 8.180 nan 0.000 0.615 183 L N 1.456 122.141 121.223 -0.898 0.000 2.629 183 L HA 0.209 4.540 4.340 -0.015 0.000 0.230 183 L C 2.653 179.292 176.870 -0.385 0.000 1.151 183 L CA -0.060 54.320 54.840 -0.768 0.000 0.924 183 L CB -0.563 40.957 42.059 -0.898 0.000 1.137 183 L HN -0.098 nan 8.230 nan 0.000 0.457 184 R N 0.126 120.402 120.500 -0.372 0.000 2.119 184 R HA -0.226 4.105 4.340 -0.015 0.000 0.246 184 R C 1.009 177.141 176.300 -0.280 0.000 1.146 184 R CA 1.948 57.787 56.100 -0.434 0.000 0.962 184 R CB 0.004 29.854 30.300 -0.750 0.000 0.863 184 R HN 0.318 nan 8.270 nan 0.000 0.442 185 Y N -1.375 118.950 120.300 0.042 0.000 2.481 185 Y HA 0.401 4.942 4.550 -0.015 0.000 0.247 185 Y C 0.689 176.691 175.900 0.170 0.000 1.151 185 Y CA 0.161 58.343 58.100 0.136 0.000 1.238 185 Y CB 1.040 39.653 38.460 0.255 0.000 1.179 185 Y HN 0.293 nan 8.280 nan 0.000 0.524 186 G N 1.133 110.052 108.800 0.199 0.000 2.515 186 G HA2 -0.169 3.782 3.960 -0.015 0.000 0.686 186 G HA3 -0.169 3.782 3.960 -0.015 0.000 0.686 186 G C -1.155 173.834 174.900 0.148 0.000 1.274 186 G CA -0.864 44.303 45.100 0.111 0.000 0.874 186 G HN 0.273 nan 8.290 nan 0.000 0.631 187 N N 1.175 119.916 118.700 0.068 0.000 2.531 187 N HA 0.532 5.263 4.740 -0.015 0.000 0.268 187 N C -1.275 174.281 175.510 0.077 0.000 1.023 187 N CA -1.870 51.241 53.050 0.101 0.000 0.896 187 N CB 2.173 40.664 38.487 0.007 0.000 1.233 187 N HN 0.309 nan 8.380 nan 0.000 0.512 188 P HA -0.017 nan 4.420 nan 0.000 0.233 188 P C 0.282 177.369 177.300 -0.355 0.000 1.167 188 P CA 0.588 63.471 63.100 -0.361 0.000 0.770 188 P CB 0.061 31.265 31.700 -0.825 0.000 0.837 189 W N 1.572 122.913 121.300 0.069 0.000 2.812 189 W HA 0.086 4.737 4.660 -0.014 0.000 0.263 189 W C 1.263 177.848 176.519 0.109 0.000 1.284 189 W CA -0.409 56.976 57.345 0.067 0.000 1.430 189 W CB 0.131 29.628 29.460 0.060 0.000 1.088 189 W HN -0.007 nan 8.180 nan 0.000 0.623 190 E N 1.108 121.491 120.200 0.306 0.000 2.312 190 E HA 0.339 4.680 4.350 -0.015 0.000 0.259 190 E C -0.218 176.553 176.600 0.286 0.000 1.122 190 E CA -0.615 55.969 56.400 0.306 0.000 0.922 190 E CB 0.927 30.807 29.700 0.301 0.000 1.109 190 E HN -0.371 nan 8.360 nan 0.000 0.442 191 K N 0.866 121.444 120.400 0.297 0.000 2.616 191 K HA 0.362 4.673 4.320 -0.015 0.000 0.241 191 K C -1.170 175.461 176.600 0.053 0.000 0.961 191 K CA -0.624 55.772 56.287 0.182 0.000 0.942 191 K CB 1.475 34.089 32.500 0.190 0.000 1.153 191 K HN 0.687 nan 8.250 nan 0.000 0.452 192 A N 3.756 126.503 122.820 -0.121 0.000 2.498 192 A HA 0.307 4.619 4.320 -0.015 0.000 0.239 192 A C 0.012 177.415 177.584 -0.302 0.000 1.068 192 A CA 0.091 51.800 52.037 -0.547 0.000 0.766 192 A CB 0.308 18.863 19.000 -0.742 0.000 1.003 192 A HN 0.546 nan 8.150 nan 0.000 0.497 193 R N 2.672 123.006 120.500 -0.276 0.000 2.494 193 R HA 0.236 4.567 4.340 -0.015 0.000 0.284 193 R C -2.549 173.660 176.300 -0.151 0.000 1.525 193 R CA -1.479 54.534 56.100 -0.144 0.000 1.460 193 R CB 1.104 31.453 30.300 0.082 0.000 1.134 193 R HN 0.483 nan 8.270 nan 0.000 0.592 194 P HA -0.132 nan 4.420 nan 0.000 0.221 194 P C 1.121 178.345 177.300 -0.128 0.000 1.150 194 P CA 0.754 63.785 63.100 -0.115 0.000 0.800 194 P CB 0.345 31.982 31.700 -0.105 0.000 0.787 195 E N -0.448 119.585 120.200 -0.278 0.000 2.401 195 E HA -0.146 4.195 4.350 -0.015 0.000 0.199 195 E C 0.513 176.931 176.600 -0.303 0.000 1.023 195 E CA 1.063 57.251 56.400 -0.355 0.000 0.859 195 E CB -0.872 28.502 29.700 -0.543 0.000 0.780 195 E HN 0.264 nan 8.360 nan 0.000 0.523 196 F N 1.582 121.539 119.950 0.012 0.000 2.639 196 F HA 0.240 4.758 4.527 -0.015 0.000 0.302 196 F C 0.505 176.398 175.800 0.156 0.000 1.097 196 F CA -0.550 57.490 58.000 0.067 0.000 1.294 196 F CB 0.005 39.028 39.000 0.038 0.000 1.027 196 F HN -0.282 nan 8.300 nan 0.000 0.550 197 T N 3.415 118.120 114.554 0.251 0.000 2.908 197 T HA 0.238 4.579 4.350 -0.015 0.000 0.301 197 T C -0.151 174.670 174.700 0.202 0.000 1.019 197 T CA 0.493 62.745 62.100 0.253 0.000 1.152 197 T CB 0.459 69.417 68.868 0.151 0.000 0.966 197 T HN -0.188 nan 8.240 nan 0.000 0.540 198 L N 5.591 126.915 121.223 0.168 0.000 2.350 198 L HA 0.633 4.964 4.340 -0.015 0.000 0.260 198 L C -2.254 174.585 176.870 -0.052 0.000 1.015 198 L CA -2.511 52.344 54.840 0.025 0.000 0.821 198 L CB 2.071 44.082 42.059 -0.081 0.000 1.370 198 L HN 0.384 nan 8.230 nan 0.000 0.416 199 P HA 0.432 nan 4.420 nan 0.000 0.296 199 P C -1.404 175.670 177.300 -0.377 0.000 1.301 199 P CA -0.482 62.489 63.100 -0.216 0.000 0.862 199 P CB 2.102 33.669 31.700 -0.221 0.000 1.046 200 V N 4.033 123.721 119.914 -0.377 0.000 2.487 200 V HA 0.304 4.415 4.120 -0.015 0.000 0.298 200 V C 0.201 175.966 176.094 -0.548 0.000 1.028 200 V CA -0.614 61.431 62.300 -0.424 0.000 0.860 200 V CB 1.245 32.911 31.823 -0.262 0.000 0.991 200 V HN 0.606 nan 8.190 nan 0.000 0.427 201 H N 4.023 122.883 119.070 -0.349 0.000 2.467 201 H HA 0.612 5.159 4.556 -0.015 0.000 0.331 201 H C -1.211 173.768 175.328 -0.582 0.000 1.120 201 H CA -0.171 55.587 56.048 -0.483 0.000 1.270 201 H CB 1.628 30.910 29.762 -0.801 0.000 1.466 201 H HN 0.464 nan 8.280 nan 0.000 0.504 202 F N 1.081 121.009 119.950 -0.037 0.000 2.588 202 F HA 0.231 4.749 4.527 -0.015 0.000 0.310 202 F C -0.240 175.554 175.800 -0.010 0.000 1.082 202 F CA -0.528 57.417 58.000 -0.092 0.000 0.929 202 F CB 0.937 39.750 39.000 -0.311 0.000 1.254 202 F HN 0.559 nan 8.300 nan 0.000 0.455 203 Y N 0.172 120.735 120.300 0.439 0.000 2.904 203 Y HA 0.030 4.571 4.550 -0.015 0.000 0.466 203 Y C 1.375 177.465 175.900 0.318 0.000 1.203 203 Y CA 0.387 58.662 58.100 0.292 0.000 2.489 203 Y CB -1.966 36.584 38.460 0.150 0.000 1.237 203 Y HN 1.308 nan 8.280 nan 0.000 0.633 204 G N 0.944 109.932 108.800 0.314 0.000 2.645 204 G HA2 0.133 4.084 3.960 -0.015 0.000 0.239 204 G HA3 0.133 4.084 3.960 -0.015 0.000 0.239 204 G C -0.521 174.536 174.900 0.262 0.000 1.331 204 G CA 1.104 46.297 45.100 0.156 0.000 0.890 204 G HN 1.369 nan 8.290 nan 0.000 0.572 205 R N -2.849 117.799 120.500 0.246 0.000 2.733 205 R HA 0.713 5.044 4.340 -0.015 0.000 0.272 205 R C -1.515 174.899 176.300 0.191 0.000 1.029 205 R CA -1.061 55.157 56.100 0.195 0.000 0.888 205 R CB 1.336 31.696 30.300 0.100 0.000 1.251 205 R HN 0.884 nan 8.270 nan 0.000 0.464 206 V N 1.277 121.230 119.914 0.065 0.000 2.417 206 V HA 0.353 4.464 4.120 -0.015 0.000 0.291 206 V C -0.343 175.663 176.094 -0.148 0.000 1.024 206 V CA -0.475 61.787 62.300 -0.064 0.000 0.861 206 V CB 1.342 33.058 31.823 -0.178 0.000 0.985 206 V HN 0.855 nan 8.190 nan 0.000 0.436 207 E N 4.235 124.329 120.200 -0.178 0.000 2.222 207 E HA 0.438 4.779 4.350 -0.015 0.000 0.267 207 E C -1.146 175.321 176.600 -0.221 0.000 0.884 207 E CA -0.863 55.461 56.400 -0.127 0.000 0.764 207 E CB 1.580 31.259 29.700 -0.036 0.000 1.169 207 E HN 0.681 nan 8.360 nan 0.000 0.413 208 H N 3.493 122.571 119.070 0.014 0.000 2.787 208 H HA 0.179 4.726 4.556 -0.015 0.000 0.275 208 H C -0.514 174.819 175.328 0.007 0.000 1.183 208 H CA -0.254 55.798 56.048 0.008 0.000 1.290 208 H CB 0.851 30.614 29.762 0.003 0.000 1.438 208 H HN 0.505 nan 8.280 nan 0.000 0.487 209 T N 0.657 115.252 114.554 0.068 0.000 3.400 209 T HA 0.252 4.593 4.350 -0.015 0.000 0.362 209 T C 1.058 175.784 174.700 0.042 0.000 1.823 209 T CA -0.337 61.789 62.100 0.045 0.000 1.374 209 T CB 0.380 69.260 68.868 0.019 0.000 1.130 209 T HN 0.592 nan 8.240 nan 0.000 0.744 210 S N 1.327 117.058 115.700 0.052 0.000 1.577 210 S HA -0.301 4.160 4.470 -0.015 0.000 0.240 210 S C 1.061 175.679 174.600 0.031 0.000 0.755 210 S CA 1.171 59.392 58.200 0.036 0.000 1.398 210 S CB -1.040 62.175 63.200 0.026 0.000 1.552 210 S HN 0.653 nan 8.310 nan 0.000 0.510 211 Q N 2.349 122.166 119.800 0.028 0.000 2.165 211 Q HA 0.459 4.790 4.340 -0.015 0.000 0.245 211 Q C 0.092 176.107 176.000 0.026 0.000 0.841 211 Q CA 0.617 56.435 55.803 0.024 0.000 1.078 211 Q CB 0.725 29.474 28.738 0.019 0.000 1.169 211 Q HN 0.778 nan 8.270 nan 0.000 0.475 212 G N -0.225 108.596 108.800 0.035 0.000 2.384 212 G HA2 0.410 4.361 3.960 -0.015 0.000 0.300 212 G HA3 0.410 4.361 3.960 -0.015 0.000 0.300 212 G C -1.686 173.238 174.900 0.041 0.000 1.582 212 G CA -0.316 44.805 45.100 0.035 0.000 0.875 212 G HN 0.157 nan 8.290 nan 0.000 0.628 213 A N 0.617 123.459 122.820 0.038 0.000 2.354 213 A HA 0.834 5.145 4.320 -0.015 0.000 0.269 213 A C 0.132 177.677 177.584 -0.065 0.000 1.109 213 A CA -0.082 51.926 52.037 -0.048 0.000 0.800 213 A CB 1.247 20.222 19.000 -0.041 0.000 1.045 213 A HN 0.758 nan 8.150 nan 0.000 0.489 214 K N 0.831 121.171 120.400 -0.099 0.000 2.324 214 K HA 0.450 4.761 4.320 -0.015 0.000 0.253 214 K C -1.694 174.914 176.600 0.013 0.000 0.932 214 K CA -0.309 55.955 56.287 -0.037 0.000 0.799 214 K CB 1.198 33.674 32.500 -0.039 0.000 1.154 214 K HN 0.713 nan 8.250 nan 0.000 0.425 215 W N 5.361 126.557 121.300 -0.173 0.000 2.376 215 W HA 0.599 5.250 4.660 -0.015 0.000 0.312 215 W C -1.486 174.930 176.519 -0.173 0.000 1.060 215 W CA -0.865 56.373 57.345 -0.178 0.000 1.221 215 W CB 0.690 30.030 29.460 -0.200 0.000 1.281 215 W HN 0.256 nan 8.180 nan 0.000 0.456 216 V N 6.410 126.280 119.914 -0.073 0.000 3.040 216 V HA 0.336 4.447 4.120 -0.015 0.000 0.312 216 V C -0.761 175.224 176.094 -0.181 0.000 1.115 216 V CA -0.755 61.455 62.300 -0.150 0.000 0.998 216 V CB 2.231 34.021 31.823 -0.055 0.000 1.042 216 V HN 0.500 nan 8.190 nan 0.000 0.433 217 D N 1.644 121.941 120.400 -0.173 0.000 2.740 217 D HA -0.140 4.491 4.640 -0.015 0.000 0.231 217 D C 0.352 176.545 176.300 -0.177 0.000 1.194 217 D CA 1.322 55.229 54.000 -0.156 0.000 0.673 217 D CB -1.293 39.454 40.800 -0.088 0.000 0.995 217 D HN 0.811 nan 8.370 nan 0.000 0.411 218 T N -3.175 111.214 114.554 -0.275 0.000 2.934 218 T HA 0.405 4.746 4.350 -0.015 0.000 0.283 218 T C 0.141 174.767 174.700 -0.124 0.000 1.005 218 T CA -0.980 60.964 62.100 -0.261 0.000 1.041 218 T CB 2.886 71.347 68.868 -0.677 0.000 1.042 218 T HN 0.154 nan 8.240 nan 0.000 0.505 219 Q N 1.249 121.067 119.800 0.030 0.000 2.243 219 Q HA 0.455 4.786 4.340 -0.015 0.000 0.252 219 Q C -1.341 174.716 176.000 0.094 0.000 0.909 219 Q CA -0.568 55.279 55.803 0.074 0.000 0.922 219 Q CB 1.438 30.337 28.738 0.269 0.000 1.215 219 Q HN 0.651 nan 8.270 nan 0.000 0.427 220 V N 3.750 123.685 119.914 0.034 0.000 2.513 220 V HA 0.535 4.646 4.120 -0.015 0.000 0.299 220 V C -0.355 175.785 176.094 0.077 0.000 1.035 220 V CA -0.648 61.638 62.300 -0.024 0.000 0.889 220 V CB 1.964 33.744 31.823 -0.072 0.000 0.988 220 V HN 0.590 nan 8.190 nan 0.000 0.440 221 V N 5.445 125.417 119.914 0.096 0.000 2.686 221 V HA 0.492 4.604 4.120 -0.015 0.000 0.306 221 V C -0.440 175.751 176.094 0.162 0.000 1.065 221 V CA -0.556 61.854 62.300 0.183 0.000 0.894 221 V CB 2.009 34.033 31.823 0.334 0.000 1.004 221 V HN 0.649 nan 8.190 nan 0.000 0.424 222 L N 3.427 124.757 121.223 0.178 0.000 2.343 222 L HA 0.836 5.168 4.340 -0.015 0.000 0.275 222 L C 0.374 177.449 176.870 0.342 0.000 1.056 222 L CA -0.506 54.445 54.840 0.185 0.000 0.804 222 L CB 1.543 43.688 42.059 0.142 0.000 1.203 222 L HN 0.747 nan 8.230 nan 0.000 0.440 223 A N 4.558 127.570 122.820 0.321 0.000 2.267 223 A HA 0.604 4.915 4.320 -0.015 0.000 0.315 223 A C -0.474 177.454 177.584 0.573 0.000 1.297 223 A CA -0.439 51.879 52.037 0.468 0.000 0.865 223 A CB 0.875 19.834 19.000 -0.069 0.000 1.165 223 A HN 0.752 nan 8.150 nan 0.000 0.513 224 M N 5.798 125.735 119.600 0.561 0.000 2.061 224 M HA 0.315 4.786 4.480 -0.015 0.000 0.346 224 M C -2.434 174.066 176.300 0.332 0.000 1.112 224 M CA -2.249 53.286 55.300 0.393 0.000 1.021 224 M CB 1.887 34.667 32.600 0.299 0.000 1.530 224 M HN 0.435 nan 8.290 nan 0.000 0.437 225 P HA 0.126 nan 4.420 nan 0.000 0.271 225 P C -1.802 175.415 177.300 -0.138 0.000 1.218 225 P CA 0.172 63.090 63.100 -0.304 0.000 0.780 225 P CB 0.441 31.717 31.700 -0.705 0.000 0.901 226 Y N 0.350 120.548 120.300 -0.171 0.000 2.332 226 Y HA 0.259 4.800 4.550 -0.015 0.000 0.325 226 Y C -0.106 175.771 175.900 -0.038 0.000 1.054 226 Y CA -0.677 57.398 58.100 -0.042 0.000 1.119 226 Y CB 1.208 39.679 38.460 0.018 0.000 1.168 226 Y HN 0.214 nan 8.280 nan 0.000 0.439 227 D N 2.036 122.543 120.400 0.177 0.000 2.225 227 D HA 0.402 5.033 4.640 -0.015 0.000 0.248 227 D C -0.341 176.175 176.300 0.360 0.000 1.096 227 D CA 0.030 54.177 54.000 0.246 0.000 0.863 227 D CB 1.559 42.564 40.800 0.341 0.000 1.156 227 D HN 0.356 nan 8.370 nan 0.000 0.450 228 T N 3.253 117.934 114.554 0.211 0.000 2.829 228 T HA 0.466 4.807 4.350 -0.015 0.000 0.280 228 T C -2.481 172.038 174.700 -0.301 0.000 0.999 228 T CA -1.520 60.613 62.100 0.055 0.000 0.983 228 T CB 1.973 70.862 68.868 0.034 0.000 0.968 228 T HN 0.188 nan 8.240 nan 0.000 0.446 229 P HA 0.267 nan 4.420 nan 0.000 0.276 229 P C -1.008 175.962 177.300 -0.550 0.000 1.230 229 P CA -0.336 62.090 63.100 -1.123 0.000 0.776 229 P CB 0.711 31.748 31.700 -1.104 0.000 0.888 230 V N 5.351 124.981 119.914 -0.474 0.000 2.289 230 V HA 0.259 4.370 4.120 -0.015 0.000 0.272 230 V C -2.020 173.943 176.094 -0.218 0.000 1.026 230 V CA -1.891 60.242 62.300 -0.279 0.000 0.807 230 V CB 1.225 32.927 31.823 -0.203 0.000 1.044 230 V HN 0.544 nan 8.190 nan 0.000 0.443 231 P HA 0.302 nan 4.420 nan 0.000 0.285 231 P C 0.340 177.598 177.300 -0.070 0.000 1.259 231 P CA 0.288 63.314 63.100 -0.123 0.000 0.794 231 P CB 1.834 33.466 31.700 -0.114 0.000 0.940 232 G N 2.305 111.080 108.800 -0.041 0.000 2.537 232 G HA2 0.191 4.142 3.960 -0.015 0.000 0.273 232 G HA3 0.191 4.142 3.960 -0.015 0.000 0.273 232 G C -1.227 173.697 174.900 0.040 0.000 1.189 232 G CA -0.434 44.669 45.100 0.005 0.000 0.881 232 G HN 0.479 nan 8.290 nan 0.000 0.535 233 Y N 0.416 120.684 120.300 -0.053 0.000 2.436 233 Y HA 0.284 4.825 4.550 -0.015 0.000 0.336 233 Y C 1.410 177.281 175.900 -0.047 0.000 1.049 233 Y CA -0.321 57.745 58.100 -0.057 0.000 1.294 233 Y CB 0.410 38.832 38.460 -0.063 0.000 1.179 233 Y HN 0.710 nan 8.280 nan 0.000 0.520 234 R N 3.309 123.485 120.500 -0.540 0.000 3.314 234 R HA -0.315 4.016 4.340 -0.015 0.000 0.243 234 R C -0.030 176.143 176.300 -0.211 0.000 0.954 234 R CA 1.525 57.347 56.100 -0.462 0.000 0.645 234 R CB -1.606 28.217 30.300 -0.795 0.000 1.022 234 R HN 0.935 nan 8.270 nan 0.000 0.468 235 N N -1.683 116.947 118.700 -0.118 0.000 2.160 235 N HA 0.055 4.787 4.740 -0.015 0.000 0.226 235 N C -0.306 175.174 175.510 -0.050 0.000 1.256 235 N CA -0.361 52.651 53.050 -0.063 0.000 0.890 235 N CB 0.594 39.066 38.487 -0.024 0.000 1.116 235 N HN 0.088 nan 8.380 nan 0.000 0.517 236 N N -0.223 118.445 118.700 -0.054 0.000 2.800 236 N HA -0.125 4.606 4.740 -0.015 0.000 0.250 236 N C -1.147 174.340 175.510 -0.037 0.000 1.078 236 N CA 0.634 53.660 53.050 -0.041 0.000 0.804 236 N CB -1.354 37.107 38.487 -0.044 0.000 1.135 236 N HN 0.210 nan 8.380 nan 0.000 0.565 237 V N 0.970 120.865 119.914 -0.032 0.000 2.394 237 V HA 0.559 4.670 4.120 -0.015 0.000 0.282 237 V C 0.427 176.501 176.094 -0.033 0.000 1.031 237 V CA -0.577 61.711 62.300 -0.020 0.000 0.881 237 V CB 2.281 34.114 31.823 0.016 0.000 0.982 237 V HN -0.051 nan 8.190 nan 0.000 0.451 238 V N 5.311 125.203 119.914 -0.037 0.000 2.488 238 V HA 0.452 4.563 4.120 -0.015 0.000 0.293 238 V C -0.326 175.717 176.094 -0.085 0.000 1.027 238 V CA -0.791 61.438 62.300 -0.119 0.000 0.862 238 V CB 1.776 33.510 31.823 -0.148 0.000 1.008 238 V HN 0.852 nan 8.190 nan 0.000 0.428 239 N N 1.923 120.559 118.700 -0.107 0.000 2.478 239 N HA 0.615 5.347 4.740 -0.015 0.000 0.275 239 N C 0.115 175.583 175.510 -0.071 0.000 1.221 239 N CA -0.341 52.685 53.050 -0.038 0.000 0.979 239 N CB 1.696 40.130 38.487 -0.088 0.000 1.202 239 N HN 0.759 nan 8.380 nan 0.000 0.564 240 T N -2.537 112.046 114.554 0.047 0.000 2.855 240 T HA 0.551 4.892 4.350 -0.015 0.000 0.281 240 T C -0.257 174.439 174.700 -0.007 0.000 1.007 240 T CA -0.833 61.360 62.100 0.155 0.000 1.009 240 T CB 0.810 69.943 68.868 0.442 0.000 0.983 240 T HN 0.347 nan 8.240 nan 0.000 0.455 241 M N 3.285 122.833 119.600 -0.086 0.000 2.101 241 M HA 0.494 4.965 4.480 -0.015 0.000 0.340 241 M C -0.456 175.721 176.300 -0.206 0.000 1.057 241 M CA -0.838 54.329 55.300 -0.222 0.000 0.984 241 M CB 0.749 33.162 32.600 -0.313 0.000 1.560 241 M HN 0.772 nan 8.290 nan 0.000 0.435 242 R N 4.600 124.864 120.500 -0.393 0.000 2.215 242 R HA 0.533 4.865 4.340 -0.015 0.000 0.336 242 R C -2.046 173.978 176.300 -0.460 0.000 0.996 242 R CA -0.314 55.488 56.100 -0.498 0.000 0.847 242 R CB 0.620 30.412 30.300 -0.846 0.000 1.127 242 R HN 0.630 nan 8.270 nan 0.000 0.465 243 L N 5.686 126.732 121.223 -0.294 0.000 2.333 243 L HA 0.504 4.835 4.340 -0.015 0.000 0.280 243 L C -1.097 175.668 176.870 -0.173 0.000 1.004 243 L CA -0.537 54.219 54.840 -0.140 0.000 0.820 243 L CB 1.164 43.224 42.059 0.000 0.000 1.247 243 L HN 0.630 nan 8.230 nan 0.000 0.416 244 W N 2.434 123.844 121.300 0.183 0.000 2.365 244 W HA 0.619 5.270 4.660 -0.015 0.000 0.316 244 W C 0.481 177.221 176.519 0.368 0.000 1.164 244 W CA -0.227 57.255 57.345 0.229 0.000 1.204 244 W CB 1.274 30.731 29.460 -0.004 0.000 1.213 244 W HN 0.384 nan 8.180 nan 0.000 0.539 245 S N 1.244 117.331 115.700 0.645 0.000 2.537 245 S HA 0.770 5.232 4.470 -0.015 0.000 0.301 245 S C -0.327 174.604 174.600 0.552 0.000 1.092 245 S CA -0.793 57.699 58.200 0.487 0.000 1.048 245 S CB 1.214 64.640 63.200 0.377 0.000 1.053 245 S HN 0.511 nan 8.310 nan 0.000 0.501 246 A N 2.732 125.698 122.820 0.244 0.000 2.331 246 A HA 0.638 4.949 4.320 -0.015 0.000 0.283 246 A C -0.141 177.534 177.584 0.150 0.000 1.142 246 A CA -0.332 51.752 52.037 0.079 0.000 0.812 246 A CB 0.354 19.214 19.000 -0.233 0.000 1.074 246 A HN 0.671 nan 8.150 nan 0.000 0.497 247 K N 1.913 122.418 120.400 0.175 0.000 2.507 247 K HA 0.579 4.890 4.320 -0.015 0.000 0.251 247 K C -0.517 176.158 176.600 0.125 0.000 0.943 247 K CA -0.539 55.837 56.287 0.148 0.000 0.794 247 K CB 1.829 34.431 32.500 0.169 0.000 1.188 247 K HN 0.902 nan 8.250 nan 0.000 0.428 248 A N 5.054 127.932 122.820 0.098 0.000 2.440 248 A HA 0.334 4.645 4.320 -0.015 0.000 0.251 248 A C -2.215 175.428 177.584 0.097 0.000 1.089 248 A CA -1.078 51.015 52.037 0.093 0.000 0.779 248 A CB -0.281 18.765 19.000 0.076 0.000 1.022 248 A HN 0.500 nan 8.150 nan 0.000 0.492 249 P HA -0.020 nan 4.420 nan 0.000 0.265 249 P C 0.347 177.707 177.300 0.100 0.000 1.193 249 P CA -0.167 62.996 63.100 0.105 0.000 0.765 249 P CB 0.575 32.349 31.700 0.122 0.000 0.823 250 N N 3.643 122.393 118.700 0.083 0.000 2.120 250 N HA -0.191 4.540 4.740 -0.015 0.000 0.188 250 N C 1.031 176.578 175.510 0.062 0.000 1.024 250 N CA 1.680 54.770 53.050 0.067 0.000 0.852 250 N CB -0.883 37.637 38.487 0.056 0.000 1.003 250 N HN 0.531 nan 8.380 nan 0.000 0.424 251 D N -0.185 120.257 120.400 0.070 0.000 2.162 251 D HA -0.128 4.504 4.640 -0.015 0.000 0.205 251 D C 1.379 177.687 176.300 0.014 0.000 0.964 251 D CA 0.336 54.353 54.000 0.028 0.000 0.847 251 D CB -0.680 40.137 40.800 0.028 0.000 0.988 251 D HN 0.190 nan 8.370 nan 0.000 0.480 252 F N 1.134 121.098 119.950 0.024 0.000 2.743 252 F HA 0.175 4.693 4.527 -0.015 0.000 0.297 252 F C 1.609 177.414 175.800 0.008 0.000 1.131 252 F CA 0.154 58.161 58.000 0.012 0.000 1.426 252 F CB -0.077 38.929 39.000 0.010 0.000 1.116 252 F HN -0.164 nan 8.300 nan 0.000 0.583 253 N N -0.337 118.468 118.700 0.175 0.000 2.331 253 N HA -0.111 4.621 4.740 -0.015 0.000 0.180 253 N C 1.508 177.044 175.510 0.043 0.000 1.019 253 N CA 1.071 54.192 53.050 0.118 0.000 0.881 253 N CB -0.088 38.450 38.487 0.086 0.000 0.972 253 N HN 0.176 nan 8.380 nan 0.000 0.435 254 L N -0.233 120.990 121.223 0.000 0.000 2.168 254 L HA 0.141 4.472 4.340 -0.015 0.000 0.203 254 L C 0.781 177.565 176.870 -0.145 0.000 1.078 254 L CA 0.971 55.795 54.840 -0.027 0.000 0.780 254 L CB -0.003 42.068 42.059 0.020 0.000 0.939 254 L HN -0.011 nan 8.230 nan 0.000 0.451 255 K N -0.068 120.117 120.400 -0.357 0.000 2.502 255 K HA 0.339 4.650 4.320 -0.015 0.000 0.254 255 K C -1.380 174.438 176.600 -1.304 0.000 0.947 255 K CA -0.168 55.757 56.287 -0.604 0.000 0.834 255 K CB 1.767 34.059 32.500 -0.346 0.000 1.112 255 K HN 0.064 nan 8.250 nan 0.000 0.427 256 D N 1.926 121.913 120.400 -0.689 0.000 3.561 256 D HA 0.246 4.877 4.640 -0.015 0.000 0.302 256 D C -0.891 175.299 176.300 -0.183 0.000 1.417 256 D CA -0.583 53.157 54.000 -0.434 0.000 0.994 256 D CB 0.352 41.016 40.800 -0.226 0.000 1.358 256 D HN 0.305 nan 8.370 nan 0.000 0.626 257 F N 0.574 120.512 119.950 -0.020 0.000 2.660 257 F HA 0.511 5.030 4.527 -0.015 0.000 0.342 257 F C -0.501 175.301 175.800 0.004 0.000 1.195 257 F CA -0.991 57.002 58.000 -0.011 0.000 1.300 257 F CB -1.200 37.804 39.000 0.005 0.000 1.616 257 F HN 0.050 nan 8.300 nan 0.000 0.592 258 N N 1.138 119.857 118.700 0.032 0.000 3.245 258 N HA 0.170 4.901 4.740 -0.015 0.000 0.296 258 N C -0.565 174.983 175.510 0.064 0.000 1.254 258 N CA -0.303 52.758 53.050 0.018 0.000 1.190 258 N CB 0.682 39.145 38.487 -0.039 0.000 1.460 258 N HN 0.341 nan 8.380 nan 0.000 0.538 259 V N 0.220 120.198 119.914 0.106 0.000 2.649 259 V HA 0.519 4.631 4.120 -0.015 0.000 0.292 259 V C 1.050 177.183 176.094 0.065 0.000 1.055 259 V CA 0.637 62.984 62.300 0.079 0.000 1.023 259 V CB 1.423 33.291 31.823 0.076 0.000 0.992 259 V HN 0.727 nan 8.190 nan 0.000 0.480 260 G N 2.814 111.645 108.800 0.052 0.000 4.094 260 G HA2 0.506 4.457 3.960 -0.015 0.000 0.177 260 G HA3 0.506 4.457 3.960 -0.015 0.000 0.177 260 G C 0.326 175.248 174.900 0.037 0.000 1.135 260 G CA 0.680 45.803 45.100 0.039 0.000 0.922 260 G HN 1.738 nan 8.290 nan 0.000 0.533 261 G N -1.100 107.730 108.800 0.050 0.000 2.435 261 G HA2 0.300 4.251 3.960 -0.015 0.000 0.603 261 G HA3 0.300 4.251 3.960 -0.015 0.000 0.603 261 G C -0.118 174.833 174.900 0.085 0.000 1.496 261 G CA 0.273 45.412 45.100 0.065 0.000 0.896 261 G HN 0.922 nan 8.290 nan 0.000 0.657 262 Y N 2.401 122.705 120.300 0.006 0.000 2.109 262 Y HA -0.013 4.529 4.550 -0.015 0.000 0.285 262 Y C 2.648 178.552 175.900 0.007 0.000 1.131 262 Y CA 2.264 60.366 58.100 0.004 0.000 1.121 262 Y CB -0.072 38.389 38.460 0.002 0.000 0.987 262 Y HN 0.453 nan 8.280 nan 0.000 0.495 263 I N 0.563 121.034 120.570 -0.165 0.000 2.163 263 I HA -0.303 3.858 4.170 -0.015 0.000 0.243 263 I C 2.360 178.374 176.117 -0.172 0.000 1.085 263 I CA 1.713 62.875 61.300 -0.230 0.000 1.347 263 I CB -1.453 36.522 38.000 -0.043 0.000 1.044 263 I HN 0.341 nan 8.210 nan 0.000 0.408 264 Q N 0.942 120.693 119.800 -0.082 0.000 2.119 264 Q HA -0.045 4.286 4.340 -0.015 0.000 0.201 264 Q C 2.213 178.172 176.000 -0.069 0.000 0.972 264 Q CA 2.057 57.826 55.803 -0.057 0.000 0.847 264 Q CB -0.406 28.321 28.738 -0.020 0.000 0.903 264 Q HN 0.481 nan 8.270 nan 0.000 0.433 265 A N -0.933 121.842 122.820 -0.076 0.000 2.067 265 A HA -0.067 4.244 4.320 -0.015 0.000 0.219 265 A C 2.193 179.720 177.584 -0.095 0.000 1.158 265 A CA 1.331 53.333 52.037 -0.058 0.000 0.661 265 A CB -0.403 18.582 19.000 -0.024 0.000 0.801 265 A HN 0.252 nan 8.150 nan 0.000 0.452 266 V N -0.143 119.653 119.914 -0.198 0.000 2.407 266 V HA -0.140 3.971 4.120 -0.015 0.000 0.245 266 V C 2.419 178.445 176.094 -0.114 0.000 1.041 266 V CA 1.587 63.764 62.300 -0.203 0.000 1.040 266 V CB -0.434 31.151 31.823 -0.396 0.000 0.671 266 V HN 0.582 nan 8.190 nan 0.000 0.455 267 L N -0.485 120.676 121.223 -0.103 0.000 2.240 267 L HA -0.065 4.267 4.340 -0.015 0.000 0.211 267 L C 1.860 178.712 176.870 -0.030 0.000 1.106 267 L CA 1.027 55.834 54.840 -0.056 0.000 0.793 267 L CB -0.578 41.450 42.059 -0.051 0.000 0.927 267 L HN 0.300 nan 8.230 nan 0.000 0.446 268 D N 0.186 120.569 120.400 -0.027 0.000 2.378 268 D HA -0.064 4.567 4.640 -0.015 0.000 0.227 268 D C 2.076 178.378 176.300 0.003 0.000 1.012 268 D CA 0.455 54.450 54.000 -0.009 0.000 0.905 268 D CB 0.035 40.832 40.800 -0.005 0.000 0.895 268 D HN 0.171 nan 8.370 nan 0.000 0.532 269 R N -0.057 120.444 120.500 0.001 0.000 2.237 269 R HA -0.009 4.322 4.340 -0.015 0.000 0.219 269 R C 1.538 177.853 176.300 0.024 0.000 1.080 269 R CA 0.618 56.730 56.100 0.019 0.000 0.995 269 R CB -0.146 30.165 30.300 0.017 0.000 0.875 269 R HN 0.258 nan 8.270 nan 0.000 0.462 270 N N 0.072 118.783 118.700 0.017 0.000 2.289 270 N HA -0.143 4.588 4.740 -0.015 0.000 0.184 270 N C 1.138 176.660 175.510 0.021 0.000 1.016 270 N CA 0.509 53.573 53.050 0.023 0.000 0.872 270 N CB 0.040 38.540 38.487 0.021 0.000 0.973 270 N HN 0.020 nan 8.380 nan 0.000 0.433 271 L N 0.868 122.100 121.223 0.015 0.000 1.994 271 L HA -0.106 4.225 4.340 -0.015 0.000 0.208 271 L C 2.350 179.225 176.870 0.007 0.000 1.071 271 L CA 1.533 56.378 54.840 0.009 0.000 0.745 271 L CB -0.926 41.138 42.059 0.008 0.000 0.892 271 L HN 0.132 nan 8.230 nan 0.000 0.431 272 A N -1.055 121.777 122.820 0.019 0.000 2.015 272 A HA -0.168 4.143 4.320 -0.015 0.000 0.219 272 A C 2.057 179.641 177.584 -0.000 0.000 1.163 272 A CA 1.403 53.451 52.037 0.018 0.000 0.646 272 A CB -0.483 18.550 19.000 0.055 0.000 0.806 272 A HN 0.551 nan 8.150 nan 0.000 0.448 273 E N -0.026 120.184 120.200 0.016 0.000 2.489 273 E HA -0.019 4.322 4.350 -0.015 0.000 0.193 273 E C 0.675 177.283 176.600 0.014 0.000 1.057 273 E CA -0.089 56.322 56.400 0.019 0.000 0.866 273 E CB -0.042 29.688 29.700 0.048 0.000 0.916 273 E HN 0.450 nan 8.360 nan 0.000 0.500 274 N N 0.961 119.667 118.700 0.010 0.000 2.550 274 N HA -0.067 4.665 4.740 -0.015 0.000 0.186 274 N C 1.403 176.922 175.510 0.015 0.000 1.110 274 N CA 0.470 53.537 53.050 0.029 0.000 0.912 274 N CB 0.096 38.597 38.487 0.024 0.000 0.968 274 N HN 0.202 nan 8.380 nan 0.000 0.448 275 I N 0.577 121.103 120.570 -0.074 0.000 2.208 275 I HA -0.189 3.972 4.170 -0.015 0.000 0.245 275 I C 1.631 177.728 176.117 -0.033 0.000 1.097 275 I CA 1.277 62.494 61.300 -0.137 0.000 1.363 275 I CB -1.420 36.304 38.000 -0.461 0.000 1.051 275 I HN 0.085 nan 8.210 nan 0.000 0.413 276 S N -0.177 115.516 115.700 -0.013 0.000 2.622 276 S HA 0.195 4.656 4.470 -0.015 0.000 0.236 276 S C 1.680 176.467 174.600 0.312 0.000 0.956 276 S CA -0.444 57.853 58.200 0.161 0.000 0.971 276 S CB 0.150 63.423 63.200 0.121 0.000 0.782 276 S HN 0.312 nan 8.310 nan 0.000 0.468 277 R N 0.309 120.978 120.500 0.282 0.000 2.066 277 R HA 0.272 4.603 4.340 -0.015 0.000 0.224 277 R C 0.111 176.660 176.300 0.414 0.000 1.122 277 R CA 0.929 57.224 56.100 0.326 0.000 0.974 277 R CB 0.127 30.568 30.300 0.234 0.000 0.871 277 R HN 0.386 nan 8.270 nan 0.000 0.435 278 V N 1.235 121.305 119.914 0.260 0.000 2.686 278 V HA 0.269 4.381 4.120 -0.015 0.000 0.306 278 V C -1.176 174.754 176.094 -0.274 0.000 1.065 278 V CA -1.123 61.210 62.300 0.055 0.000 0.894 278 V CB 1.797 33.584 31.823 -0.060 0.000 1.004 278 V HN 0.135 nan 8.190 nan 0.000 0.424 279 L N 7.227 128.069 121.223 -0.635 0.000 2.490 279 L HA 0.364 4.695 4.340 -0.015 0.000 0.274 279 L C -0.825 175.860 176.870 -0.309 0.000 1.201 279 L CA 0.569 54.908 54.840 -0.836 0.000 0.869 279 L CB 0.253 41.863 42.059 -0.748 0.000 1.123 279 L HN 0.677 nan 8.230 nan 0.000 0.484 280 Y N 6.741 126.910 120.300 -0.218 0.000 2.496 280 Y HA 0.205 4.746 4.550 -0.015 0.000 0.334 280 Y C -1.374 174.488 175.900 -0.064 0.000 1.080 280 Y CA -1.347 56.699 58.100 -0.091 0.000 1.355 280 Y CB 0.322 38.753 38.460 -0.049 0.000 1.193 280 Y HN 0.567 nan 8.280 nan 0.000 0.523 281 P HA 0.017 nan 4.420 nan 0.000 0.249 281 P C -0.701 176.692 177.300 0.155 0.000 1.544 281 P CA 0.174 63.324 63.100 0.084 0.000 0.932 281 P CB 0.206 32.012 31.700 0.176 0.000 1.524 282 N N 1.621 120.431 118.700 0.183 0.000 2.485 282 N HA 0.128 4.859 4.740 -0.015 0.000 0.243 282 N C -0.778 174.878 175.510 0.244 0.000 0.987 282 N CA 0.045 53.242 53.050 0.245 0.000 0.940 282 N CB 0.876 39.512 38.487 0.249 0.000 1.122 282 N HN 0.085 nan 8.380 nan 0.000 0.509 283 D N 1.796 122.363 120.400 0.278 0.000 2.317 283 D HA 0.172 4.803 4.640 -0.015 0.000 0.234 283 D C -0.286 176.266 176.300 0.419 0.000 1.112 283 D CA -0.165 54.016 54.000 0.301 0.000 0.840 283 D CB 0.175 41.142 40.800 0.280 0.000 1.078 283 D HN 0.304 nan 8.370 nan 0.000 0.486 284 N N 3.436 122.321 118.700 0.307 0.000 2.681 284 N HA -0.218 4.513 4.740 -0.015 0.000 0.259 284 N C -1.382 174.302 175.510 0.290 0.000 1.066 284 N CA 0.660 53.847 53.050 0.229 0.000 0.717 284 N CB -0.753 37.770 38.487 0.060 0.000 0.885 284 N HN 0.301 nan 8.380 nan 0.000 0.547 285 F N 0.655 120.700 119.950 0.158 0.000 2.688 285 F HA 0.515 5.033 4.527 -0.015 0.000 0.308 285 F C -1.476 174.415 175.800 0.152 0.000 1.117 285 F CA -1.467 56.608 58.000 0.125 0.000 0.976 285 F CB 1.127 40.181 39.000 0.089 0.000 1.291 285 F HN -0.012 nan 8.300 nan 0.000 0.439 286 F N 4.093 124.068 119.950 0.042 0.000 2.493 286 F HA 0.547 5.065 4.527 -0.015 0.000 0.329 286 F C -0.847 174.656 175.800 -0.494 0.000 1.126 286 F CA -0.288 57.572 58.000 -0.233 0.000 0.937 286 F CB 1.247 40.135 39.000 -0.187 0.000 1.146 286 F HN 0.499 nan 8.300 nan 0.000 0.442 287 E N 3.581 123.243 120.200 -0.897 0.000 2.155 287 E HA 0.360 4.701 4.350 -0.015 0.000 0.264 287 E C -0.152 175.752 176.600 -1.160 0.000 0.886 287 E CA -0.791 55.101 56.400 -0.846 0.000 0.752 287 E CB 1.442 30.901 29.700 -0.403 0.000 1.133 287 E HN 0.948 nan 8.360 nan 0.000 0.414 288 G N 4.809 112.905 108.800 -1.174 0.000 3.213 288 G HA2 0.026 3.977 3.960 -0.015 0.000 0.263 288 G HA3 0.026 3.977 3.960 -0.015 0.000 0.263 288 G C 0.006 174.760 174.900 -0.243 0.000 0.829 288 G CA -0.184 44.357 45.100 -0.930 0.000 1.983 288 G HN 0.147 nan 8.290 nan 0.000 0.616 289 K N 0.561 120.881 120.400 -0.134 0.000 2.130 289 K HA 0.201 4.512 4.320 -0.015 0.000 0.268 289 K C 1.035 177.722 176.600 0.145 0.000 0.983 289 K CA -0.736 55.566 56.287 0.024 0.000 0.893 289 K CB 2.182 34.708 32.500 0.043 0.000 1.066 289 K HN 0.485 nan 8.250 nan 0.000 0.450 290 E N 1.642 121.899 120.200 0.096 0.000 2.077 290 E HA -0.202 4.139 4.350 -0.015 0.000 0.193 290 E C 1.456 178.045 176.600 -0.018 0.000 0.989 290 E CA 0.984 57.398 56.400 0.023 0.000 0.800 290 E CB 0.128 29.839 29.700 0.018 0.000 0.746 290 E HN 0.387 nan 8.360 nan 0.000 0.452 291 L N 1.192 122.438 121.223 0.039 0.000 2.191 291 L HA -0.143 4.188 4.340 -0.015 0.000 0.212 291 L C 2.301 179.195 176.870 0.040 0.000 1.103 291 L CA 1.470 56.347 54.840 0.061 0.000 0.769 291 L CB -0.301 41.865 42.059 0.177 0.000 0.908 291 L HN 0.027 nan 8.230 nan 0.000 0.438 292 R N -0.776 119.667 120.500 -0.094 0.000 2.073 292 R HA -0.084 4.247 4.340 -0.015 0.000 0.229 292 R C 2.167 178.436 176.300 -0.052 0.000 1.120 292 R CA 1.429 57.399 56.100 -0.216 0.000 0.967 292 R CB -0.775 29.309 30.300 -0.360 0.000 0.862 292 R HN 0.379 nan 8.270 nan 0.000 0.436 293 L N 1.709 122.806 121.223 -0.211 0.000 2.131 293 L HA -0.126 4.205 4.340 -0.015 0.000 0.210 293 L C 1.938 178.693 176.870 -0.192 0.000 1.092 293 L CA 1.769 56.274 54.840 -0.557 0.000 0.759 293 L CB -0.284 41.128 42.059 -1.079 0.000 0.903 293 L HN 0.003 nan 8.230 nan 0.000 0.435 294 K N -0.952 119.384 120.400 -0.107 0.000 2.032 294 K HA -0.228 4.083 4.320 -0.015 0.000 0.209 294 K C 2.107 178.817 176.600 0.183 0.000 1.048 294 K CA 1.966 58.249 56.287 -0.008 0.000 0.927 294 K CB -0.207 32.166 32.500 -0.212 0.000 0.712 294 K HN 0.489 nan 8.250 nan 0.000 0.441 295 Q N 0.602 120.495 119.800 0.155 0.000 2.050 295 Q HA -0.184 4.147 4.340 -0.015 0.000 0.202 295 Q C 1.999 178.160 176.000 0.269 0.000 0.980 295 Q CA 1.524 57.485 55.803 0.264 0.000 0.840 295 Q CB 0.013 28.922 28.738 0.285 0.000 0.898 295 Q HN 0.370 nan 8.270 nan 0.000 0.424 296 E N -0.239 120.061 120.200 0.167 0.000 2.051 296 E HA -0.224 4.117 4.350 -0.015 0.000 0.192 296 E C 1.771 178.433 176.600 0.104 0.000 0.991 296 E CA 1.133 57.609 56.400 0.126 0.000 0.799 296 E CB -0.201 29.544 29.700 0.076 0.000 0.748 296 E HN 0.330 nan 8.360 nan 0.000 0.449 297 Y N 0.484 120.795 120.300 0.018 0.000 2.242 297 Y HA -0.214 4.327 4.550 -0.015 0.000 0.291 297 Y C 2.006 177.930 175.900 0.041 0.000 1.137 297 Y CA 1.187 59.275 58.100 -0.020 0.000 1.181 297 Y CB -0.335 38.128 38.460 0.005 0.000 0.989 297 Y HN 0.037 nan 8.280 nan 0.000 0.527 298 F N -0.568 119.346 119.950 -0.061 0.000 2.102 298 F HA -0.171 4.347 4.527 -0.015 0.000 0.298 298 F C 2.432 178.070 175.800 -0.270 0.000 1.105 298 F CA 1.768 59.678 58.000 -0.150 0.000 1.239 298 F CB -0.955 38.136 39.000 0.151 0.000 0.991 298 F HN -0.087 nan 8.300 nan 0.000 0.474 299 V N -0.180 119.650 119.914 -0.140 0.000 2.407 299 V HA -0.205 3.906 4.120 -0.015 0.000 0.248 299 V C 2.113 177.988 176.094 -0.366 0.000 1.055 299 V CA 2.091 64.254 62.300 -0.227 0.000 1.049 299 V CB -0.465 31.431 31.823 0.123 0.000 0.662 299 V HN 0.269 nan 8.190 nan 0.000 0.455 300 V N 0.704 120.420 119.914 -0.330 0.000 2.244 300 V HA -0.176 3.936 4.120 -0.015 0.000 0.244 300 V C 2.903 178.681 176.094 -0.526 0.000 1.042 300 V CA 2.186 64.269 62.300 -0.362 0.000 1.006 300 V CB -1.424 30.238 31.823 -0.268 0.000 0.641 300 V HN 0.650 nan 8.190 nan 0.000 0.446 301 A N 0.108 122.465 122.820 -0.771 0.000 1.873 301 A HA -0.221 4.091 4.320 -0.015 0.000 0.218 301 A C 2.422 179.612 177.584 -0.656 0.000 1.193 301 A CA 2.649 54.251 52.037 -0.725 0.000 0.629 301 A CB -0.999 17.404 19.000 -0.994 0.000 0.826 301 A HN 0.605 nan 8.150 nan 0.000 0.447 302 A N -1.255 121.011 122.820 -0.923 0.000 1.877 302 A HA -0.082 4.229 4.320 -0.015 0.000 0.216 302 A C 2.309 179.319 177.584 -0.957 0.000 1.186 302 A CA 2.332 53.650 52.037 -1.197 0.000 0.620 302 A CB -1.400 16.273 19.000 -2.212 0.000 0.822 302 A HN 0.451 nan 8.150 nan 0.000 0.443 303 T N 0.584 114.667 114.554 -0.784 0.000 2.759 303 T HA -0.103 4.238 4.350 -0.015 0.000 0.269 303 T C 1.733 176.134 174.700 -0.499 0.000 1.042 303 T CA 1.434 63.212 62.100 -0.536 0.000 1.140 303 T CB -0.355 68.189 68.868 -0.540 0.000 0.864 303 T HN 0.352 nan 8.240 nan 0.000 0.455 304 L N 0.295 121.276 121.223 -0.404 0.000 2.156 304 L HA -0.078 4.253 4.340 -0.015 0.000 0.208 304 L C 2.798 179.539 176.870 -0.215 0.000 1.095 304 L CA 1.116 55.783 54.840 -0.288 0.000 0.770 304 L CB -0.436 41.494 42.059 -0.215 0.000 0.914 304 L HN 0.276 nan 8.230 nan 0.000 0.439 305 Q N -0.167 119.496 119.800 -0.229 0.000 2.050 305 Q HA -0.245 4.086 4.340 -0.015 0.000 0.202 305 Q C 1.831 177.787 176.000 -0.073 0.000 0.980 305 Q CA 1.969 57.691 55.803 -0.135 0.000 0.840 305 Q CB -0.031 28.603 28.738 -0.173 0.000 0.898 305 Q HN 0.287 nan 8.270 nan 0.000 0.424 306 D N -0.295 120.055 120.400 -0.084 0.000 2.183 306 D HA -0.079 4.552 4.640 -0.015 0.000 0.203 306 D C 1.530 177.752 176.300 -0.129 0.000 0.969 306 D CA 0.665 54.647 54.000 -0.030 0.000 0.842 306 D CB 0.047 40.938 40.800 0.151 0.000 0.957 306 D HN 0.213 nan 8.370 nan 0.000 0.484 307 I N 0.193 120.593 120.570 -0.284 0.000 2.099 307 I HA -0.272 3.889 4.170 -0.015 0.000 0.239 307 I C 2.373 178.494 176.117 0.007 0.000 1.066 307 I CA 0.914 61.998 61.300 -0.359 0.000 1.324 307 I CB -0.266 37.425 38.000 -0.515 0.000 1.037 307 I HN 0.036 nan 8.210 nan 0.000 0.401 308 I N 0.114 120.747 120.570 0.104 0.000 2.286 308 I HA -0.288 3.873 4.170 -0.015 0.000 0.248 308 I C 2.784 179.080 176.117 0.299 0.000 1.115 308 I CA 1.037 62.513 61.300 0.294 0.000 1.392 308 I CB -0.461 37.664 38.000 0.209 0.000 1.065 308 I HN 0.233 nan 8.210 nan 0.000 0.418 309 R N 1.064 121.643 120.500 0.132 0.000 2.105 309 R HA -0.165 4.166 4.340 -0.015 0.000 0.239 309 R C 2.328 178.694 176.300 0.109 0.000 1.135 309 R CA 1.541 57.708 56.100 0.111 0.000 0.967 309 R CB -0.122 30.221 30.300 0.072 0.000 0.861 309 R HN 0.342 nan 8.270 nan 0.000 0.442 310 R N -1.078 119.482 120.500 0.101 0.000 2.080 310 R HA -0.062 4.269 4.340 -0.015 0.000 0.222 310 R C 2.105 178.531 176.300 0.210 0.000 1.107 310 R CA 1.074 57.239 56.100 0.108 0.000 0.980 310 R CB -0.261 30.093 30.300 0.090 0.000 0.879 310 R HN 0.136 nan 8.270 nan 0.000 0.439 311 F N 1.954 121.969 119.950 0.107 0.000 1.999 311 F HA -0.175 4.343 4.527 -0.015 0.000 0.293 311 F C 1.891 177.797 175.800 0.177 0.000 1.173 311 F CA 1.586 59.666 58.000 0.134 0.000 1.162 311 F CB -0.281 38.851 39.000 0.221 0.000 0.981 311 F HN -0.265 nan 8.300 nan 0.000 0.479 312 K N 0.132 120.658 120.400 0.210 0.000 2.207 312 K HA -0.233 4.078 4.320 -0.015 0.000 0.208 312 K C 2.136 178.762 176.600 0.043 0.000 1.046 312 K CA 1.849 58.164 56.287 0.047 0.000 0.929 312 K CB -0.417 32.173 32.500 0.151 0.000 0.720 312 K HN 0.285 nan 8.250 nan 0.000 0.463 313 S N 0.299 116.050 115.700 0.085 0.000 2.325 313 S HA -0.062 4.399 4.470 -0.015 0.000 0.214 313 S C 0.917 175.605 174.600 0.147 0.000 1.031 313 S CA 0.143 58.398 58.200 0.092 0.000 0.972 313 S CB -0.019 63.219 63.200 0.063 0.000 0.908 313 S HN 0.293 nan 8.310 nan 0.000 0.453 314 S N 2.566 118.368 115.700 0.169 0.000 2.589 314 S HA -0.001 4.461 4.470 -0.015 0.000 0.306 314 S C 0.163 174.828 174.600 0.108 0.000 1.221 314 S CA -0.118 58.237 58.200 0.259 0.000 1.159 314 S CB -0.496 62.827 63.200 0.205 0.000 0.990 314 S HN 0.272 nan 8.310 nan 0.000 0.514 315 K N 3.359 123.850 120.400 0.151 0.000 3.010 315 K HA -0.205 4.106 4.320 -0.015 0.000 0.255 315 K C -0.173 176.536 176.600 0.183 0.000 0.929 315 K CA 0.943 57.273 56.287 0.073 0.000 0.687 315 K CB -1.663 30.808 32.500 -0.048 0.000 1.304 315 K HN 0.697 nan 8.250 nan 0.000 0.479 316 F N -1.834 118.045 119.950 -0.119 0.000 2.883 316 F HA 0.223 4.741 4.527 -0.014 0.000 0.351 316 F C 1.893 177.617 175.800 -0.127 0.000 0.970 316 F CA 0.337 58.218 58.000 -0.197 0.000 1.130 316 F CB 0.309 39.052 39.000 -0.428 0.000 1.015 316 F HN 0.073 nan 8.300 nan 0.000 0.585 317 G N -0.495 108.346 108.800 0.067 0.000 3.233 317 G HA2 0.262 4.213 3.960 -0.015 0.000 0.227 317 G HA3 0.262 4.213 3.960 -0.015 0.000 0.227 317 G C -0.070 174.850 174.900 0.034 0.000 1.175 317 G CA 0.609 45.725 45.100 0.026 0.000 0.781 317 G HN 0.344 nan 8.290 nan 0.000 0.542 318 C N 0.777 120.102 119.300 0.043 0.000 3.226 318 C HA 0.723 5.174 4.460 -0.015 0.000 0.365 318 C C -0.530 174.483 174.990 0.038 0.000 1.027 318 C CA -0.992 58.049 59.018 0.039 0.000 1.319 318 C CB -0.301 27.477 27.740 0.063 0.000 1.718 318 C HN 0.928 nan 8.230 nan 0.000 0.554 319 R N 3.267 123.772 120.500 0.008 0.000 0.920 319 R HA -0.085 4.246 4.340 -0.015 0.000 0.433 319 R C -1.255 175.006 176.300 -0.065 0.000 1.361 319 R CA 1.929 58.022 56.100 -0.012 0.000 1.010 319 R CB -1.318 28.993 30.300 0.019 0.000 3.119 319 R HN 0.978 nan 8.270 nan 0.000 0.520 320 D N 2.289 122.609 120.400 -0.134 0.000 2.001 320 D HA 0.223 4.854 4.640 -0.015 0.000 0.337 320 D C -2.397 173.747 176.300 -0.260 0.000 1.148 320 D CA -0.071 53.800 54.000 -0.215 0.000 1.057 320 D CB -0.631 40.102 40.800 -0.111 0.000 1.884 320 D HN 0.469 nan 8.370 nan 0.000 0.529 321 P HA -0.085 nan 4.420 nan 0.000 0.273 321 P C 0.723 177.935 177.300 -0.147 0.000 1.177 321 P CA 1.254 64.278 63.100 -0.127 0.000 0.765 321 P CB 0.637 32.290 31.700 -0.078 0.000 0.780 322 V N 1.493 121.356 119.914 -0.084 0.000 0.677 322 V HA -0.170 3.941 4.120 -0.015 0.000 0.092 322 V C -0.952 175.118 176.094 -0.039 0.000 0.987 322 V CA 0.900 63.170 62.300 -0.050 0.000 3.141 322 V CB -0.842 30.951 31.823 -0.051 0.000 0.307 322 V HN 0.554 nan 8.190 nan 0.000 0.272 323 R N 1.598 122.080 120.500 -0.030 0.000 2.701 323 R HA 0.663 4.994 4.340 -0.015 0.000 0.281 323 R C -0.519 175.767 176.300 -0.024 0.000 1.367 323 R CA 0.639 56.731 56.100 -0.013 0.000 1.510 323 R CB 0.705 31.019 30.300 0.024 0.000 1.306 323 R HN 0.881 nan 8.270 nan 0.000 0.682 324 T N 0.619 115.095 114.554 -0.131 0.000 0.814 324 T HA -0.242 4.099 4.350 -0.015 0.000 0.743 324 T C -0.459 174.133 174.700 -0.179 0.000 0.988 324 T CA 0.849 62.796 62.100 -0.255 0.000 3.927 324 T CB -0.672 68.097 68.868 -0.165 0.000 2.218 324 T HN 0.559 nan 8.240 nan 0.000 0.384 325 N N 1.017 119.545 118.700 -0.287 0.000 2.314 325 N HA 0.541 5.272 4.740 -0.015 0.000 0.294 325 N C 0.477 176.072 175.510 0.142 0.000 1.029 325 N CA -0.913 52.131 53.050 -0.010 0.000 0.845 325 N CB 0.756 39.289 38.487 0.076 0.000 1.321 325 N HN 0.432 nan 8.380 nan 0.000 0.481 326 F N 0.554 120.670 119.950 0.278 0.000 2.641 326 F HA -0.061 4.457 4.527 -0.015 0.000 0.298 326 F C 1.365 177.304 175.800 0.233 0.000 1.146 326 F CA 0.594 58.730 58.000 0.226 0.000 1.464 326 F CB 0.041 39.010 39.000 -0.053 0.000 1.101 326 F HN 0.555 nan 8.300 nan 0.000 0.585 327 D N 0.401 120.994 120.400 0.322 0.000 2.149 327 D HA -0.195 4.436 4.640 -0.015 0.000 0.198 327 D C 2.303 178.767 176.300 0.273 0.000 0.990 327 D CA 1.379 55.527 54.000 0.246 0.000 0.839 327 D CB -0.421 40.491 40.800 0.187 0.000 0.948 327 D HN 0.243 nan 8.370 nan 0.000 0.460 328 A N -0.423 122.632 122.820 0.391 0.000 2.119 328 A HA -0.057 4.255 4.320 -0.015 0.000 0.217 328 A C 1.840 179.622 177.584 0.330 0.000 1.153 328 A CA 0.305 52.558 52.037 0.361 0.000 0.692 328 A CB -0.833 18.444 19.000 0.462 0.000 0.799 328 A HN 0.235 nan 8.150 nan 0.000 0.458 329 F N 1.934 121.952 119.950 0.114 0.000 2.102 329 F HA -0.068 4.450 4.527 -0.014 0.000 0.298 329 F C -0.643 175.086 175.800 -0.118 0.000 1.105 329 F CA 1.893 59.751 58.000 -0.238 0.000 1.239 329 F CB -0.490 38.296 39.000 -0.357 0.000 0.991 329 F HN 0.201 nan 8.300 nan 0.000 0.474 330 P HA -0.074 nan 4.420 nan 0.000 0.239 330 P C 0.358 177.599 177.300 -0.099 0.000 1.184 330 P CA 1.293 64.332 63.100 -0.101 0.000 0.760 330 P CB -0.074 31.617 31.700 -0.014 0.000 0.884 331 D N -0.527 119.838 120.400 -0.058 0.000 2.392 331 D HA 0.064 4.695 4.640 -0.015 0.000 0.206 331 D C 1.536 177.796 176.300 -0.066 0.000 1.046 331 D CA 0.439 54.413 54.000 -0.043 0.000 0.865 331 D CB 0.471 41.269 40.800 -0.002 0.000 0.969 331 D HN 0.259 nan 8.370 nan 0.000 0.509 332 K N 0.249 120.597 120.400 -0.087 0.000 2.354 332 K HA 0.169 4.480 4.320 -0.015 0.000 0.194 332 K C 0.330 176.843 176.600 -0.144 0.000 1.045 332 K CA 0.216 56.459 56.287 -0.073 0.000 1.026 332 K CB 2.128 34.662 32.500 0.057 0.000 0.866 332 K HN -0.106 nan 8.250 nan 0.000 0.530 333 V N 0.989 120.705 119.914 -0.329 0.000 2.769 333 V HA 0.630 4.741 4.120 -0.015 0.000 0.312 333 V C -0.998 174.958 176.094 -0.230 0.000 1.061 333 V CA -1.109 60.994 62.300 -0.329 0.000 0.931 333 V CB 1.746 33.050 31.823 -0.865 0.000 1.010 333 V HN 0.124 nan 8.190 nan 0.000 0.433 334 A N 4.523 127.288 122.820 -0.092 0.000 2.408 334 A HA 0.915 5.226 4.320 -0.015 0.000 0.295 334 A C -1.085 176.519 177.584 0.033 0.000 1.040 334 A CA -0.439 51.578 52.037 -0.034 0.000 0.707 334 A CB 1.358 20.323 19.000 -0.058 0.000 1.235 334 A HN 1.231 nan 8.150 nan 0.000 0.418 335 I N -0.356 120.279 120.570 0.108 0.000 2.603 335 I HA 0.833 4.994 4.170 -0.015 0.000 0.300 335 I C -0.634 175.592 176.117 0.183 0.000 1.017 335 I CA -0.666 60.716 61.300 0.137 0.000 1.098 335 I CB 2.146 40.195 38.000 0.081 0.000 1.279 335 I HN 0.498 nan 8.210 nan 0.000 0.437 336 Q N 4.786 124.702 119.800 0.193 0.000 2.331 336 Q HA 0.580 4.911 4.340 -0.015 0.000 0.267 336 Q C -1.785 174.252 176.000 0.061 0.000 1.006 336 Q CA -0.533 55.426 55.803 0.261 0.000 0.818 336 Q CB 1.603 30.653 28.738 0.520 0.000 1.276 336 Q HN 0.728 nan 8.270 nan 0.000 0.450 337 L N 3.927 125.215 121.223 0.108 0.000 2.261 337 L HA 0.361 4.692 4.340 -0.015 0.000 0.289 337 L C -0.122 176.812 176.870 0.106 0.000 1.059 337 L CA -0.292 54.591 54.840 0.072 0.000 0.816 337 L CB 0.315 42.446 42.059 0.121 0.000 1.191 337 L HN 0.643 nan 8.230 nan 0.000 0.431 338 N N 4.643 123.315 118.700 -0.046 0.000 2.508 338 N HA 0.078 4.809 4.740 -0.015 0.000 0.253 338 N C 0.073 175.558 175.510 -0.042 0.000 1.145 338 N CA 0.464 53.513 53.050 -0.002 0.000 0.973 338 N CB -0.014 38.347 38.487 -0.209 0.000 1.305 338 N HN 0.619 nan 8.380 nan 0.000 0.506 339 D N 0.325 120.820 120.400 0.159 0.000 5.703 339 D HA -0.219 4.413 4.640 -0.015 0.000 0.317 339 D C 0.036 176.369 176.300 0.055 0.000 2.508 339 D CA 0.810 54.879 54.000 0.115 0.000 1.333 339 D CB -0.073 40.478 40.800 -0.416 0.000 1.145 339 D HN 0.394 nan 8.370 nan 0.000 1.293 340 T N 0.068 114.617 114.554 -0.009 0.000 3.098 340 T HA -0.086 4.255 4.350 -0.015 0.000 0.266 340 T C 1.414 176.166 174.700 0.087 0.000 1.145 340 T CA 1.512 63.585 62.100 -0.046 0.000 1.092 340 T CB -0.412 68.436 68.868 -0.034 0.000 0.908 340 T HN 0.297 nan 8.240 nan 0.000 0.526 341 H N 1.130 120.260 119.070 0.100 0.000 2.387 341 H HA -0.018 4.529 4.556 -0.015 0.000 0.299 341 H C -0.930 174.450 175.328 0.087 0.000 1.090 341 H CA 0.460 56.581 56.048 0.122 0.000 1.332 341 H CB -0.579 29.253 29.762 0.116 0.000 1.386 341 H HN 0.315 nan 8.280 nan 0.000 0.516 342 P HA 0.090 nan 4.420 nan 0.000 0.241 342 P C 0.573 177.880 177.300 0.011 0.000 1.783 342 P CA 0.262 63.399 63.100 0.061 0.000 1.052 342 P CB 0.308 32.030 31.700 0.037 0.000 1.594 343 S N -0.492 115.212 115.700 0.007 0.000 2.419 343 S HA -0.135 4.326 4.470 -0.015 0.000 0.233 343 S C 1.787 176.364 174.600 -0.037 0.000 1.016 343 S CA 0.658 58.831 58.200 -0.045 0.000 0.974 343 S CB -1.073 62.085 63.200 -0.071 0.000 0.786 343 S HN 0.002 nan 8.310 nan 0.000 0.492 344 L N 2.167 123.371 121.223 -0.031 0.000 2.189 344 L HA -0.008 4.323 4.340 -0.015 0.000 0.214 344 L C 2.890 179.737 176.870 -0.038 0.000 1.097 344 L CA 1.010 55.819 54.840 -0.051 0.000 0.764 344 L CB -1.988 40.050 42.059 -0.036 0.000 0.900 344 L HN 0.450 nan 8.230 nan 0.000 0.436 345 A N -0.044 122.747 122.820 -0.048 0.000 1.915 345 A HA -0.278 4.033 4.320 -0.015 0.000 0.220 345 A C 2.336 179.902 177.584 -0.030 0.000 1.198 345 A CA 2.256 54.260 52.037 -0.055 0.000 0.647 345 A CB -0.693 18.274 19.000 -0.055 0.000 0.825 345 A HN 0.414 nan 8.150 nan 0.000 0.456 346 I N 0.179 120.737 120.570 -0.020 0.000 2.076 346 I HA -0.176 3.986 4.170 -0.015 0.000 0.237 346 I C -0.339 175.809 176.117 0.052 0.000 1.059 346 I CA 1.863 63.164 61.300 0.002 0.000 1.317 346 I CB -1.273 36.729 38.000 0.004 0.000 1.037 346 I HN 0.283 nan 8.210 nan 0.000 0.398 347 P HA -0.145 nan 4.420 nan 0.000 0.226 347 P C 1.183 178.577 177.300 0.157 0.000 1.153 347 P CA 1.373 64.542 63.100 0.116 0.000 0.777 347 P CB 0.050 31.825 31.700 0.125 0.000 0.794 348 E N 0.368 120.658 120.200 0.151 0.000 2.072 348 E HA -0.120 4.221 4.350 -0.015 0.000 0.190 348 E C 1.882 178.498 176.600 0.027 0.000 0.982 348 E CA 0.602 57.110 56.400 0.180 0.000 0.803 348 E CB -1.215 28.554 29.700 0.116 0.000 0.755 348 E HN 0.006 nan 8.360 nan 0.000 0.453 349 L N -0.026 121.176 121.223 -0.036 0.000 2.046 349 L HA -0.082 4.249 4.340 -0.015 0.000 0.208 349 L C 2.066 178.854 176.870 -0.136 0.000 1.077 349 L CA 1.616 56.390 54.840 -0.110 0.000 0.747 349 L CB -0.541 41.459 42.059 -0.098 0.000 0.896 349 L HN 0.208 nan 8.230 nan 0.000 0.432 350 M N -0.691 118.858 119.600 -0.085 0.000 2.108 350 M HA -0.236 4.236 4.480 -0.015 0.000 0.261 350 M C 2.441 178.667 176.300 -0.122 0.000 1.066 350 M CA 1.604 56.834 55.300 -0.116 0.000 1.107 350 M CB -1.213 31.349 32.600 -0.064 0.000 1.356 350 M HN 0.323 nan 8.290 nan 0.000 0.406 351 R N -0.260 120.186 120.500 -0.091 0.000 2.080 351 R HA -0.141 4.190 4.340 -0.015 0.000 0.236 351 R C 2.121 178.355 176.300 -0.110 0.000 1.137 351 R CA 1.797 57.825 56.100 -0.119 0.000 0.943 351 R CB -0.288 29.917 30.300 -0.159 0.000 0.846 351 R HN 0.202 nan 8.270 nan 0.000 0.431 352 V N 1.328 121.174 119.914 -0.113 0.000 2.343 352 V HA -0.256 3.855 4.120 -0.015 0.000 0.247 352 V C 2.322 178.275 176.094 -0.235 0.000 1.051 352 V CA 1.817 64.028 62.300 -0.148 0.000 1.036 352 V CB -0.333 31.393 31.823 -0.162 0.000 0.654 352 V HN 0.340 nan 8.190 nan 0.000 0.451 353 L N -1.078 119.963 121.223 -0.304 0.000 2.044 353 L HA -0.080 4.251 4.340 -0.015 0.000 0.205 353 L C 2.405 179.131 176.870 -0.239 0.000 1.075 353 L CA 0.914 55.518 54.840 -0.394 0.000 0.747 353 L CB -0.690 41.114 42.059 -0.425 0.000 0.903 353 L HN 0.150 nan 8.230 nan 0.000 0.435 354 V N -0.327 119.487 119.914 -0.166 0.000 2.346 354 V HA -0.194 3.917 4.120 -0.015 0.000 0.244 354 V C 1.960 178.023 176.094 -0.052 0.000 1.037 354 V CA 1.768 64.018 62.300 -0.083 0.000 1.029 354 V CB -0.286 31.508 31.823 -0.048 0.000 0.663 354 V HN 0.371 nan 8.190 nan 0.000 0.454 355 D N -0.678 119.685 120.400 -0.062 0.000 2.183 355 D HA -0.002 4.629 4.640 -0.015 0.000 0.205 355 D C 1.800 178.076 176.300 -0.040 0.000 0.962 355 D CA 0.859 54.835 54.000 -0.041 0.000 0.849 355 D CB 0.230 41.001 40.800 -0.048 0.000 0.978 355 D HN 0.231 nan 8.370 nan 0.000 0.488 356 L N 0.510 121.696 121.223 -0.062 0.000 2.269 356 L HA 0.107 4.438 4.340 -0.015 0.000 0.200 356 L C 1.855 178.682 176.870 -0.072 0.000 1.069 356 L CA 0.985 55.792 54.840 -0.055 0.000 0.804 356 L CB -0.207 41.819 42.059 -0.055 0.000 0.987 356 L HN -0.166 nan 8.230 nan 0.000 0.468 357 E N 0.273 120.393 120.200 -0.134 0.000 2.478 357 E HA 0.061 4.402 4.350 -0.015 0.000 0.194 357 E C 0.202 176.756 176.600 -0.076 0.000 1.045 357 E CA -0.048 56.273 56.400 -0.131 0.000 0.868 357 E CB 0.272 29.780 29.700 -0.321 0.000 0.885 357 E HN 0.240 nan 8.360 nan 0.000 0.505 358 R N -0.454 120.009 120.500 -0.062 0.000 3.936 358 R HA -0.177 4.154 4.340 -0.015 0.000 0.366 358 R C 0.312 176.604 176.300 -0.013 0.000 1.158 358 R CA 0.340 56.427 56.100 -0.021 0.000 0.969 358 R CB -2.648 27.651 30.300 -0.000 0.000 1.504 358 R HN 0.222 nan 8.270 nan 0.000 0.538 359 L N 1.942 123.137 121.223 -0.047 0.000 2.482 359 L HA -0.004 4.327 4.340 -0.015 0.000 0.273 359 L C 0.739 177.619 176.870 0.016 0.000 1.228 359 L CA 0.339 55.163 54.840 -0.026 0.000 0.827 359 L CB 0.283 42.288 42.059 -0.089 0.000 1.099 359 L HN 0.060 nan 8.230 nan 0.000 0.494 360 D N 0.196 120.626 120.400 0.049 0.000 2.372 360 D HA -0.058 4.573 4.640 -0.015 0.000 0.243 360 D C 0.253 176.638 176.300 0.142 0.000 1.121 360 D CA -0.168 53.893 54.000 0.102 0.000 0.898 360 D CB 0.601 41.462 40.800 0.101 0.000 1.202 360 D HN 0.414 nan 8.370 nan 0.000 0.428 361 W N 1.046 122.365 121.300 0.032 0.000 2.333 361 W HA -0.179 4.473 4.660 -0.015 0.000 0.316 361 W C 1.627 178.213 176.519 0.111 0.000 1.215 361 W CA 1.327 58.701 57.345 0.048 0.000 1.278 361 W CB 0.008 29.476 29.460 0.012 0.000 1.154 361 W HN 0.425 nan 8.180 nan 0.000 0.486 362 D N -0.334 120.324 120.400 0.429 0.000 2.178 362 D HA -0.173 4.458 4.640 -0.015 0.000 0.202 362 D C 2.018 178.448 176.300 0.215 0.000 0.974 362 D CA 1.037 55.249 54.000 0.353 0.000 0.841 362 D CB -0.337 40.639 40.800 0.293 0.000 0.953 362 D HN 0.098 nan 8.370 nan 0.000 0.478 363 K N 1.026 121.511 120.400 0.143 0.000 2.057 363 K HA -0.028 4.283 4.320 -0.015 0.000 0.206 363 K C 1.863 178.492 176.600 0.047 0.000 1.050 363 K CA 0.841 57.184 56.287 0.093 0.000 0.935 363 K CB -0.057 32.489 32.500 0.077 0.000 0.715 363 K HN 0.019 nan 8.250 nan 0.000 0.439 364 A N 0.274 123.091 122.820 -0.005 0.000 1.968 364 A HA -0.142 4.170 4.320 -0.015 0.000 0.217 364 A C 2.014 179.548 177.584 -0.082 0.000 1.169 364 A CA 0.716 52.695 52.037 -0.097 0.000 0.638 364 A CB -0.828 18.060 19.000 -0.186 0.000 0.812 364 A HN 0.614 nan 8.150 nan 0.000 0.446 365 W N 0.655 121.786 121.300 -0.282 0.000 2.418 365 W HA -0.108 4.544 4.660 -0.015 0.000 0.292 365 W C 1.857 178.323 176.519 -0.088 0.000 1.213 365 W CA 1.475 58.657 57.345 -0.272 0.000 1.283 365 W CB 0.023 29.299 29.460 -0.307 0.000 1.119 365 W HN 0.538 nan 8.180 nan 0.000 0.542 366 E N 0.036 120.200 120.200 -0.059 0.000 2.038 366 E HA -0.235 4.106 4.350 -0.015 0.000 0.195 366 E C 2.028 178.566 176.600 -0.104 0.000 1.000 366 E CA 2.058 58.414 56.400 -0.072 0.000 0.803 366 E CB -0.281 29.438 29.700 0.031 0.000 0.750 366 E HN 0.064 nan 8.360 nan 0.000 0.448 367 V N 0.620 120.500 119.914 -0.057 0.000 2.244 367 V HA -0.253 3.858 4.120 -0.015 0.000 0.244 367 V C 2.413 178.471 176.094 -0.060 0.000 1.042 367 V CA 2.201 64.504 62.300 0.004 0.000 1.006 367 V CB -0.967 30.878 31.823 0.037 0.000 0.641 367 V HN 0.346 nan 8.190 nan 0.000 0.446 368 T N 0.433 114.879 114.554 -0.180 0.000 2.653 368 T HA -0.220 4.121 4.350 -0.015 0.000 0.268 368 T C 1.918 176.456 174.700 -0.270 0.000 1.035 368 T CA 1.929 63.889 62.100 -0.232 0.000 1.154 368 T CB -0.429 68.221 68.868 -0.364 0.000 0.862 368 T HN 0.276 nan 8.240 nan 0.000 0.441 369 V N 1.499 121.141 119.914 -0.453 0.000 2.358 369 V HA -0.128 3.983 4.120 -0.015 0.000 0.246 369 V C 2.325 178.392 176.094 -0.044 0.000 1.047 369 V CA 1.484 63.598 62.300 -0.310 0.000 1.035 369 V CB -0.485 31.061 31.823 -0.461 0.000 0.658 369 V HN 0.499 nan 8.190 nan 0.000 0.452 370 K N -0.443 119.895 120.400 -0.103 0.000 2.439 370 K HA -0.038 4.273 4.320 -0.015 0.000 0.197 370 K C 1.945 178.496 176.600 -0.081 0.000 1.041 370 K CA 1.231 57.421 56.287 -0.161 0.000 0.970 370 K CB -0.094 32.327 32.500 -0.133 0.000 0.773 370 K HN 0.455 nan 8.250 nan 0.000 0.479 371 T N 0.276 114.846 114.554 0.027 0.000 3.021 371 T HA 0.043 4.384 4.350 -0.015 0.000 0.245 371 T C 0.940 175.732 174.700 0.154 0.000 1.028 371 T CA 0.272 62.408 62.100 0.060 0.000 1.139 371 T CB 0.187 69.117 68.868 0.104 0.000 0.884 371 T HN 0.161 nan 8.240 nan 0.000 0.457 372 C N 2.454 121.837 119.300 0.138 0.000 2.405 372 C HA 0.880 5.331 4.460 -0.015 0.000 0.365 372 C C 0.508 175.556 174.990 0.097 0.000 1.233 372 C CA -1.128 57.957 59.018 0.111 0.000 2.230 372 C CB 0.150 27.895 27.740 0.008 0.000 2.443 372 C HN 0.593 nan 8.230 nan 0.000 0.556 373 A N 2.014 124.873 122.820 0.065 0.000 2.455 373 A HA 0.715 5.027 4.320 -0.015 0.000 0.300 373 A C -1.504 176.151 177.584 0.118 0.000 1.040 373 A CA -0.361 51.657 52.037 -0.032 0.000 0.697 373 A CB 0.997 19.992 19.000 -0.007 0.000 1.265 373 A HN 0.914 nan 8.150 nan 0.000 0.407 374 Y N 1.287 121.545 120.300 -0.069 0.000 2.429 374 Y HA 0.716 5.257 4.550 -0.014 0.000 0.342 374 Y C -0.519 175.387 175.900 0.010 0.000 1.004 374 Y CA -0.717 57.367 58.100 -0.025 0.000 1.075 374 Y CB 2.084 40.495 38.460 -0.081 0.000 1.214 374 Y HN 0.553 nan 8.280 nan 0.000 0.455 375 T N 6.398 120.810 114.554 -0.237 0.000 2.772 375 T HA 0.239 4.580 4.350 -0.015 0.000 0.288 375 T C -0.667 173.656 174.700 -0.630 0.000 0.994 375 T CA -0.881 61.012 62.100 -0.346 0.000 0.951 375 T CB 0.418 69.285 68.868 -0.001 0.000 0.933 375 T HN 0.686 nan 8.240 nan 0.000 0.447 376 N N 1.829 120.093 118.700 -0.727 0.000 2.472 376 N HA 0.088 4.819 4.740 -0.015 0.000 0.277 376 N C 0.241 175.659 175.510 -0.152 0.000 1.081 376 N CA -0.247 52.593 53.050 -0.349 0.000 0.973 376 N CB 0.674 39.063 38.487 -0.163 0.000 1.105 376 N HN 0.656 nan 8.380 nan 0.000 0.470 377 H N 1.151 120.231 119.070 0.017 0.000 2.740 377 H HA 0.125 4.672 4.556 -0.015 0.000 0.265 377 H C 0.073 175.325 175.328 -0.126 0.000 0.978 377 H CA 0.226 56.239 56.048 -0.058 0.000 1.198 377 H CB 1.201 30.945 29.762 -0.030 0.000 1.467 377 H HN 0.544 nan 8.280 nan 0.000 0.511 378 T N -0.930 113.661 114.554 0.061 0.000 2.718 378 T HA 0.259 4.600 4.350 -0.015 0.000 0.306 378 T C -0.396 174.332 174.700 0.047 0.000 1.485 378 T CA -0.314 61.770 62.100 -0.026 0.000 0.997 378 T CB 1.546 70.368 68.868 -0.076 0.000 1.504 378 T HN -0.111 nan 8.240 nan 0.000 0.497 379 V N 1.787 121.680 119.914 -0.035 0.000 3.548 379 V HA 0.520 4.631 4.120 -0.015 0.000 0.279 379 V C 0.312 176.355 176.094 -0.086 0.000 1.446 379 V CA -0.117 62.152 62.300 -0.052 0.000 1.023 379 V CB 0.235 32.035 31.823 -0.038 0.000 0.820 379 V HN 0.773 nan 8.190 nan 0.000 0.438 380 L N 3.647 124.795 121.223 -0.126 0.000 2.615 380 L HA 0.210 4.542 4.340 -0.015 0.000 0.271 380 L C -0.761 176.076 176.870 -0.055 0.000 1.183 380 L CA -0.320 54.447 54.840 -0.121 0.000 0.933 380 L CB 0.831 42.750 42.059 -0.233 0.000 1.199 380 L HN 0.159 nan 8.230 nan 0.000 0.487 381 P HA -0.212 nan 4.420 nan 0.000 0.215 381 P C 0.933 178.257 177.300 0.040 0.000 1.157 381 P CA 1.232 64.331 63.100 -0.002 0.000 0.863 381 P CB -0.042 31.659 31.700 0.002 0.000 0.787 382 E N 0.690 120.938 120.200 0.079 0.000 2.396 382 E HA -0.131 4.210 4.350 -0.015 0.000 0.200 382 E C 1.667 178.476 176.600 0.348 0.000 1.023 382 E CA 1.402 57.942 56.400 0.232 0.000 0.857 382 E CB -0.995 28.810 29.700 0.176 0.000 0.775 382 E HN 0.222 nan 8.360 nan 0.000 0.525 383 A N 1.262 124.190 122.820 0.180 0.000 2.169 383 A HA 0.165 4.476 4.320 -0.015 0.000 0.212 383 A C 1.255 178.895 177.584 0.093 0.000 1.153 383 A CA -0.046 52.114 52.037 0.205 0.000 0.756 383 A CB -0.313 18.747 19.000 0.100 0.000 0.813 383 A HN 0.308 nan 8.150 nan 0.000 0.471 384 L N 0.087 121.301 121.223 -0.015 0.000 2.326 384 L HA 0.397 4.728 4.340 -0.015 0.000 0.278 384 L C -0.378 176.174 176.870 -0.531 0.000 1.092 384 L CA -0.285 54.456 54.840 -0.164 0.000 0.810 384 L CB 0.583 42.583 42.059 -0.098 0.000 1.153 384 L HN 0.216 nan 8.230 nan 0.000 0.439 385 E N 5.247 125.026 120.200 -0.702 0.000 2.194 385 E HA 0.372 4.713 4.350 -0.015 0.000 0.284 385 E C -0.819 175.223 176.600 -0.929 0.000 1.035 385 E CA -0.222 55.327 56.400 -1.420 0.000 0.836 385 E CB 0.794 30.014 29.700 -0.800 0.000 1.070 385 E HN 0.520 nan 8.360 nan 0.000 0.401 386 R N 3.473 123.317 120.500 -1.093 0.000 2.545 386 R HA 0.196 4.527 4.340 -0.015 0.000 0.289 386 R C -1.332 174.867 176.300 -0.168 0.000 1.327 386 R CA -0.544 55.318 56.100 -0.396 0.000 1.040 386 R CB 0.857 31.026 30.300 -0.219 0.000 1.176 386 R HN 0.463 nan 8.270 nan 0.000 0.518 387 W N 4.172 125.499 121.300 0.045 0.000 2.287 387 W HA 0.290 4.941 4.660 -0.015 0.000 0.313 387 W C -1.860 174.700 176.519 0.068 0.000 1.267 387 W CA -2.147 55.277 57.345 0.132 0.000 1.201 387 W CB 0.658 30.158 29.460 0.068 0.000 1.196 387 W HN 0.240 nan 8.180 nan 0.000 0.536 388 P HA -0.142 nan 4.420 nan 0.000 0.261 388 P C 0.998 178.389 177.300 0.152 0.000 1.183 388 P CA 0.369 63.592 63.100 0.205 0.000 0.761 388 P CB 0.523 32.347 31.700 0.207 0.000 0.785 389 V N 2.861 122.852 119.914 0.129 0.000 2.370 389 V HA -0.331 3.780 4.120 -0.015 0.000 0.252 389 V C 1.981 178.133 176.094 0.097 0.000 1.068 389 V CA 2.460 64.811 62.300 0.085 0.000 1.061 389 V CB -1.748 30.149 31.823 0.124 0.000 0.656 389 V HN 0.600 nan 8.190 nan 0.000 0.455 390 H N 0.591 119.710 119.070 0.081 0.000 2.352 390 H HA -0.142 4.405 4.556 -0.015 0.000 0.299 390 H C 1.786 177.156 175.328 0.070 0.000 1.097 390 H CA 2.535 58.628 56.048 0.074 0.000 1.311 390 H CB -0.513 29.294 29.762 0.075 0.000 1.377 390 H HN 0.424 nan 8.280 nan 0.000 0.504 391 L N -0.153 120.789 121.223 -0.468 0.000 2.017 391 L HA -0.115 4.216 4.340 -0.015 0.000 0.208 391 L C 2.744 179.469 176.870 -0.243 0.000 1.073 391 L CA 1.410 55.976 54.840 -0.456 0.000 0.745 391 L CB -0.793 41.154 42.059 -0.187 0.000 0.894 391 L HN 0.320 nan 8.230 nan 0.000 0.432 392 L N -1.211 119.916 121.223 -0.159 0.000 1.989 392 L HA -0.255 4.077 4.340 -0.015 0.000 0.211 392 L C 2.520 179.325 176.870 -0.107 0.000 1.071 392 L CA 1.113 55.859 54.840 -0.156 0.000 0.749 392 L CB -0.461 41.514 42.059 -0.139 0.000 0.890 392 L HN 0.233 nan 8.230 nan 0.000 0.431 393 E N -0.115 120.058 120.200 -0.045 0.000 2.164 393 E HA -0.303 4.038 4.350 -0.015 0.000 0.233 393 E C 1.998 178.630 176.600 0.055 0.000 1.073 393 E CA 2.744 59.159 56.400 0.025 0.000 0.941 393 E CB -0.587 29.176 29.700 0.105 0.000 0.820 393 E HN 0.450 nan 8.360 nan 0.000 0.486 394 T N 0.015 114.615 114.554 0.077 0.000 2.668 394 T HA -0.123 4.218 4.350 -0.015 0.000 0.262 394 T C 1.841 176.672 174.700 0.218 0.000 1.045 394 T CA 1.387 63.590 62.100 0.172 0.000 1.152 394 T CB -0.426 68.548 68.868 0.177 0.000 0.864 394 T HN 0.112 nan 8.240 nan 0.000 0.419 395 L N -0.206 121.047 121.223 0.050 0.000 2.127 395 L HA 0.366 4.697 4.340 -0.015 0.000 0.203 395 L C 0.553 177.387 176.870 -0.060 0.000 1.080 395 L CA 1.514 56.290 54.840 -0.106 0.000 0.768 395 L CB -0.076 41.857 42.059 -0.210 0.000 0.924 395 L HN 0.194 nan 8.230 nan 0.000 0.444 396 L N 0.230 121.378 121.223 -0.125 0.000 2.637 396 L HA 0.275 4.606 4.340 -0.015 0.000 0.241 396 L C -1.714 174.985 176.870 -0.285 0.000 1.398 396 L CA -1.226 53.472 54.840 -0.237 0.000 0.895 396 L CB 0.815 42.658 42.059 -0.359 0.000 1.183 396 L HN -0.043 nan 8.230 nan 0.000 0.497 397 P HA -0.208 nan 4.420 nan 0.000 0.216 397 P C 1.611 178.663 177.300 -0.413 0.000 1.157 397 P CA 1.250 64.209 63.100 -0.236 0.000 0.880 397 P CB 0.183 31.833 31.700 -0.085 0.000 0.791 398 R N -1.095 118.914 120.500 -0.819 0.000 2.062 398 R HA -0.095 4.236 4.340 -0.015 0.000 0.229 398 R C 2.334 178.273 176.300 -0.601 0.000 1.128 398 R CA 1.655 57.295 56.100 -0.767 0.000 0.960 398 R CB -1.319 28.303 30.300 -1.131 0.000 0.855 398 R HN 0.389 nan 8.270 nan 0.000 0.432 399 H N 0.267 119.044 119.070 -0.488 0.000 2.387 399 H HA -0.080 4.467 4.556 -0.015 0.000 0.299 399 H C 2.000 177.165 175.328 -0.271 0.000 1.099 399 H CA 1.287 57.134 56.048 -0.335 0.000 1.315 399 H CB -0.077 29.458 29.762 -0.378 0.000 1.380 399 H HN 0.070 nan 8.280 nan 0.000 0.513 400 L N 0.447 121.553 121.223 -0.194 0.000 2.275 400 L HA -0.192 4.139 4.340 -0.015 0.000 0.215 400 L C 1.739 178.463 176.870 -0.244 0.000 1.119 400 L CA 1.175 55.850 54.840 -0.275 0.000 0.790 400 L CB -0.139 41.759 42.059 -0.268 0.000 0.919 400 L HN 0.456 nan 8.230 nan 0.000 0.443 401 Q N -0.490 119.247 119.800 -0.104 0.000 2.096 401 Q HA -0.126 4.206 4.340 -0.015 0.000 0.197 401 Q C 2.207 178.247 176.000 0.067 0.000 0.964 401 Q CA 1.098 56.929 55.803 0.048 0.000 0.838 401 Q CB 0.123 28.883 28.738 0.035 0.000 0.906 401 Q HN 0.494 nan 8.270 nan 0.000 0.444 402 I N 0.583 121.159 120.570 0.010 0.000 2.226 402 I HA -0.286 3.875 4.170 -0.015 0.000 0.245 402 I C 2.054 178.229 176.117 0.097 0.000 1.100 402 I CA 1.178 62.534 61.300 0.094 0.000 1.374 402 I CB -0.155 37.866 38.000 0.035 0.000 1.057 402 I HN 0.195 nan 8.210 nan 0.000 0.413 403 I N -0.562 120.008 120.570 -0.000 0.000 2.286 403 I HA -0.307 3.854 4.170 -0.015 0.000 0.248 403 I C 2.268 178.420 176.117 0.057 0.000 1.115 403 I CA 1.384 62.675 61.300 -0.015 0.000 1.392 403 I CB -0.320 37.605 38.000 -0.125 0.000 1.065 403 I HN 0.174 nan 8.210 nan 0.000 0.418 404 Y N 0.524 120.839 120.300 0.024 0.000 2.263 404 Y HA -0.143 4.398 4.550 -0.015 0.000 0.292 404 Y C 2.610 178.497 175.900 -0.021 0.000 1.130 404 Y CA 0.728 58.834 58.100 0.009 0.000 1.179 404 Y CB -0.498 37.959 38.460 -0.004 0.000 0.998 404 Y HN 0.130 nan 8.280 nan 0.000 0.532 405 E N 0.397 120.669 120.200 0.120 0.000 2.047 405 E HA -0.163 4.179 4.350 -0.015 0.000 0.191 405 E C 2.298 178.854 176.600 -0.073 0.000 0.987 405 E CA 1.036 57.391 56.400 -0.076 0.000 0.799 405 E CB -0.334 29.273 29.700 -0.156 0.000 0.752 405 E HN 0.433 nan 8.360 nan 0.000 0.449 406 I N 1.495 122.139 120.570 0.125 0.000 2.118 406 I HA -0.348 3.813 4.170 -0.015 0.000 0.241 406 I C 2.451 178.610 176.117 0.070 0.000 1.070 406 I CA 1.400 62.740 61.300 0.067 0.000 1.327 406 I CB -0.489 37.483 38.000 -0.045 0.000 1.034 406 I HN 0.122 nan 8.210 nan 0.000 0.405 407 N N 0.889 119.662 118.700 0.122 0.000 2.036 407 N HA -0.299 4.432 4.740 -0.015 0.000 0.195 407 N C 1.825 177.446 175.510 0.184 0.000 1.037 407 N CA 1.999 55.165 53.050 0.195 0.000 0.855 407 N CB -0.291 38.323 38.487 0.211 0.000 1.033 407 N HN 0.356 nan 8.380 nan 0.000 0.423 408 Q N -0.005 119.849 119.800 0.090 0.000 1.998 408 Q HA -0.181 4.150 4.340 -0.015 0.000 0.209 408 Q C 2.135 178.129 176.000 -0.010 0.000 1.002 408 Q CA 2.040 57.849 55.803 0.009 0.000 0.858 408 Q CB -0.090 28.615 28.738 -0.054 0.000 0.932 408 Q HN 0.397 nan 8.270 nan 0.000 0.416 409 R N -0.731 119.741 120.500 -0.046 0.000 2.092 409 R HA -0.121 4.210 4.340 -0.015 0.000 0.231 409 R C 2.261 178.604 176.300 0.071 0.000 1.119 409 R CA 1.198 57.276 56.100 -0.037 0.000 0.970 409 R CB -0.449 29.790 30.300 -0.103 0.000 0.864 409 R HN 0.326 nan 8.270 nan 0.000 0.440 410 F N 1.626 121.571 119.950 -0.008 0.000 2.102 410 F HA -0.118 4.400 4.527 -0.015 0.000 0.298 410 F C 1.768 177.592 175.800 0.041 0.000 1.105 410 F CA 1.375 59.405 58.000 0.051 0.000 1.239 410 F CB -0.173 38.881 39.000 0.089 0.000 0.991 410 F HN -0.113 nan 8.300 nan 0.000 0.474 411 L N 0.527 121.728 121.223 -0.037 0.000 2.622 411 L HA -0.112 4.219 4.340 -0.015 0.000 0.233 411 L C 1.169 177.964 176.870 -0.126 0.000 1.156 411 L CA 0.488 55.234 54.840 -0.157 0.000 0.866 411 L CB -0.841 41.218 42.059 0.000 0.000 0.980 411 L HN 0.240 nan 8.230 nan 0.000 0.448 412 N N -0.162 118.483 118.700 -0.090 0.000 2.409 412 N HA -0.003 4.728 4.740 -0.015 0.000 0.174 412 N C 1.803 177.266 175.510 -0.078 0.000 1.037 412 N CA 0.462 53.469 53.050 -0.071 0.000 0.898 412 N CB 0.151 38.607 38.487 -0.050 0.000 1.010 412 N HN 0.220 nan 8.380 nan 0.000 0.445 413 R N 0.261 120.699 120.500 -0.103 0.000 2.073 413 R HA 0.049 4.381 4.340 -0.015 0.000 0.229 413 R C 1.822 178.043 176.300 -0.133 0.000 1.120 413 R CA 0.714 56.759 56.100 -0.092 0.000 0.967 413 R CB -0.360 29.907 30.300 -0.055 0.000 0.862 413 R HN 0.009 nan 8.270 nan 0.000 0.436 414 V N 1.357 121.123 119.914 -0.246 0.000 2.220 414 V HA -0.302 3.809 4.120 -0.015 0.000 0.246 414 V C 2.534 178.625 176.094 -0.004 0.000 1.049 414 V CA 2.104 64.323 62.300 -0.135 0.000 1.003 414 V CB -0.996 30.645 31.823 -0.303 0.000 0.634 414 V HN 0.411 nan 8.190 nan 0.000 0.444 415 A N 0.102 122.896 122.820 -0.044 0.000 1.929 415 A HA -0.329 3.982 4.320 -0.015 0.000 0.221 415 A C 2.393 179.963 177.584 -0.023 0.000 1.211 415 A CA 3.101 55.127 52.037 -0.018 0.000 0.657 415 A CB -1.077 17.901 19.000 -0.036 0.000 0.827 415 A HN 0.722 nan 8.150 nan 0.000 0.462 416 A N -0.899 121.892 122.820 -0.049 0.000 1.933 416 A HA 0.205 4.517 4.320 -0.015 0.000 0.218 416 A C 2.461 179.979 177.584 -0.110 0.000 1.175 416 A CA 2.171 54.170 52.037 -0.064 0.000 0.628 416 A CB -0.844 18.121 19.000 -0.058 0.000 0.814 416 A HN 1.190 nan 8.150 nan 0.000 0.444 417 A N -1.807 120.921 122.820 -0.154 0.000 1.975 417 A HA 0.362 4.673 4.320 -0.015 0.000 0.215 417 A C 0.518 177.772 177.584 -0.550 0.000 1.170 417 A CA 0.466 52.276 52.037 -0.379 0.000 0.656 417 A CB -0.165 18.531 19.000 -0.508 0.000 0.821 417 A HN 0.404 nan 8.150 nan 0.000 0.449 418 F N 0.143 120.042 119.950 -0.085 0.000 2.449 418 F HA 0.347 4.865 4.527 -0.015 0.000 0.329 418 F C -2.664 173.096 175.800 -0.067 0.000 1.245 418 F CA -2.798 55.156 58.000 -0.076 0.000 1.193 418 F CB 0.751 39.694 39.000 -0.094 0.000 1.425 418 F HN -0.058 nan 8.300 nan 0.000 0.544 419 P HA 0.079 nan 4.420 nan 0.000 0.256 419 P C 0.985 178.299 177.300 0.023 0.000 1.173 419 P CA 1.325 64.431 63.100 0.010 0.000 0.768 419 P CB 0.491 32.180 31.700 -0.018 0.000 0.758 420 G N 3.064 111.872 108.800 0.014 0.000 2.205 420 G HA2 -0.254 3.697 3.960 -0.015 0.000 0.261 420 G HA3 -0.254 3.697 3.960 -0.015 0.000 0.261 420 G C 0.402 175.310 174.900 0.012 0.000 0.980 420 G CA 0.022 45.127 45.100 0.008 0.000 0.632 420 G HN 0.584 nan 8.290 nan 0.000 0.533 421 D N 1.195 121.610 120.400 0.026 0.000 2.608 421 D HA 0.441 5.072 4.640 -0.015 0.000 0.224 421 D C 1.827 178.118 176.300 -0.014 0.000 1.123 421 D CA 0.179 54.186 54.000 0.012 0.000 1.030 421 D CB 0.320 41.138 40.800 0.030 0.000 1.093 421 D HN 0.102 nan 8.370 nan 0.000 0.497 422 V N 2.080 121.987 119.914 -0.012 0.000 2.282 422 V HA -0.245 3.866 4.120 -0.015 0.000 0.249 422 V C 2.213 178.293 176.094 -0.023 0.000 1.057 422 V CA 1.858 64.149 62.300 -0.016 0.000 1.032 422 V CB -0.304 31.514 31.823 -0.008 0.000 0.645 422 V HN 0.559 nan 8.190 nan 0.000 0.447 423 D N -0.540 119.845 120.400 -0.024 0.000 2.123 423 D HA -0.243 4.388 4.640 -0.015 0.000 0.196 423 D C 2.374 178.646 176.300 -0.047 0.000 0.992 423 D CA 1.607 55.592 54.000 -0.025 0.000 0.833 423 D CB 0.018 40.804 40.800 -0.023 0.000 0.954 423 D HN 0.351 nan 8.370 nan 0.000 0.455 424 R N -0.210 120.238 120.500 -0.087 0.000 2.083 424 R HA -0.179 4.152 4.340 -0.015 0.000 0.237 424 R C 2.509 178.725 176.300 -0.140 0.000 1.137 424 R CA 0.925 56.932 56.100 -0.155 0.000 0.951 424 R CB -0.182 29.971 30.300 -0.245 0.000 0.851 424 R HN 0.114 nan 8.270 nan 0.000 0.434 425 L N 1.023 122.188 121.223 -0.097 0.000 2.012 425 L HA -0.198 4.133 4.340 -0.015 0.000 0.210 425 L C 2.487 179.347 176.870 -0.017 0.000 1.073 425 L CA 2.088 56.887 54.840 -0.068 0.000 0.748 425 L CB -0.785 41.249 42.059 -0.042 0.000 0.891 425 L HN 0.298 nan 8.230 nan 0.000 0.431 426 R N -1.078 119.422 120.500 -0.001 0.000 2.235 426 R HA -0.018 4.313 4.340 -0.015 0.000 0.213 426 R C 2.071 178.407 176.300 0.061 0.000 1.059 426 R CA 0.785 56.907 56.100 0.038 0.000 0.997 426 R CB -0.416 29.903 30.300 0.033 0.000 0.884 426 R HN 0.207 nan 8.270 nan 0.000 0.462 427 R N 0.061 120.576 120.500 0.025 0.000 2.127 427 R HA 0.171 4.503 4.340 -0.015 0.000 0.217 427 R C 1.892 178.230 176.300 0.063 0.000 1.074 427 R CA 1.257 57.392 56.100 0.057 0.000 0.991 427 R CB -0.083 30.220 30.300 0.004 0.000 0.895 427 R HN 0.297 nan 8.270 nan 0.000 0.450 428 M N 0.203 119.775 119.600 -0.046 0.000 2.476 428 M HA 0.027 4.498 4.480 -0.015 0.000 0.262 428 M C 0.814 177.220 176.300 0.178 0.000 1.111 428 M CA 0.140 55.386 55.300 -0.090 0.000 1.127 428 M CB 0.371 32.806 32.600 -0.275 0.000 1.376 428 M HN -0.101 nan 8.290 nan 0.000 0.465 429 S N 1.301 117.122 115.700 0.201 0.000 2.715 429 S HA -0.061 4.400 4.470 -0.015 0.000 0.318 429 S C 1.100 175.934 174.600 0.390 0.000 1.242 429 S CA -0.052 58.308 58.200 0.266 0.000 1.044 429 S CB 0.305 63.621 63.200 0.193 0.000 0.760 429 S HN 0.347 nan 8.310 nan 0.000 0.501 430 L N 4.737 126.160 121.223 0.335 0.000 2.395 430 L HA 0.137 4.468 4.340 -0.015 0.000 0.218 430 L C 0.460 177.453 176.870 0.205 0.000 1.130 430 L CA 0.241 55.252 54.840 0.285 0.000 0.826 430 L CB -0.398 41.759 42.059 0.164 0.000 0.941 430 L HN 0.376 nan 8.230 nan 0.000 0.451 431 V N 1.717 121.757 119.914 0.210 0.000 2.328 431 V HA 0.153 4.264 4.120 -0.015 0.000 0.278 431 V C 0.034 176.228 176.094 0.166 0.000 1.021 431 V CA -0.591 61.819 62.300 0.183 0.000 0.838 431 V CB 1.370 33.341 31.823 0.246 0.000 0.999 431 V HN 0.233 nan 8.190 nan 0.000 0.447 432 E N 4.099 124.380 120.200 0.135 0.000 2.200 432 E HA 0.383 4.724 4.350 -0.015 0.000 0.283 432 E C -0.536 176.125 176.600 0.102 0.000 1.015 432 E CA -0.682 55.788 56.400 0.117 0.000 0.819 432 E CB 1.656 31.413 29.700 0.094 0.000 1.081 432 E HN 0.453 nan 8.360 nan 0.000 0.397 433 E N 0.818 121.073 120.200 0.092 0.000 2.405 433 E HA 0.342 4.683 4.350 -0.015 0.000 0.253 433 E C 0.193 176.833 176.600 0.067 0.000 1.257 433 E CA -0.100 56.346 56.400 0.078 0.000 0.960 433 E CB 0.682 30.421 29.700 0.065 0.000 1.077 433 E HN 0.712 nan 8.360 nan 0.000 0.512 434 G N 0.153 108.988 108.800 0.058 0.000 3.115 434 G HA2 0.174 4.125 3.960 -0.015 0.000 0.291 434 G HA3 0.174 4.125 3.960 -0.015 0.000 0.291 434 G C 0.668 175.599 174.900 0.051 0.000 1.012 434 G CA 0.358 45.488 45.100 0.050 0.000 0.929 434 G HN 1.294 nan 8.290 nan 0.000 0.413 435 A N -0.461 122.388 122.820 0.048 0.000 3.681 435 A HA 0.048 4.359 4.320 -0.015 0.000 0.238 435 A C 0.929 178.543 177.584 0.051 0.000 0.760 435 A CA 1.756 53.819 52.037 0.044 0.000 1.474 435 A CB -1.383 17.640 19.000 0.039 0.000 1.081 435 A HN 2.400 nan 8.150 nan 0.000 0.696 436 V N 0.908 120.860 119.914 0.064 0.000 2.841 436 V HA 0.254 4.365 4.120 -0.015 0.000 0.258 436 V C -0.078 176.070 176.094 0.090 0.000 0.973 436 V CA -0.158 62.190 62.300 0.081 0.000 0.921 436 V CB 1.470 33.342 31.823 0.082 0.000 1.053 436 V HN 0.540 nan 8.190 nan 0.000 0.498 437 K N 3.817 124.277 120.400 0.099 0.000 2.511 437 K HA 0.313 4.624 4.320 -0.015 0.000 0.280 437 K C -0.061 176.610 176.600 0.118 0.000 1.008 437 K CA 0.380 56.733 56.287 0.111 0.000 1.050 437 K CB 0.535 33.110 32.500 0.126 0.000 0.889 437 K HN 0.572 nan 8.250 nan 0.000 0.484 438 R N 3.036 123.602 120.500 0.109 0.000 2.771 438 R HA 0.431 4.762 4.340 -0.015 0.000 0.274 438 R C -0.849 175.505 176.300 0.090 0.000 0.987 438 R CA -0.866 55.297 56.100 0.105 0.000 0.908 438 R CB 1.426 31.775 30.300 0.083 0.000 1.213 438 R HN 0.451 nan 8.270 nan 0.000 0.468 439 I N 1.634 122.256 120.570 0.086 0.000 2.315 439 I HA 0.135 4.296 4.170 -0.015 0.000 0.291 439 I C -0.071 176.050 176.117 0.006 0.000 1.006 439 I CA -0.459 60.876 61.300 0.057 0.000 1.265 439 I CB 1.110 39.135 38.000 0.042 0.000 1.387 439 I HN 0.380 nan 8.210 nan 0.000 0.475 440 N N 7.474 126.148 118.700 -0.043 0.000 2.402 440 N HA 0.064 4.795 4.740 -0.015 0.000 0.259 440 N C 0.738 176.139 175.510 -0.182 0.000 1.167 440 N CA -0.218 52.720 53.050 -0.186 0.000 0.949 440 N CB 0.850 39.114 38.487 -0.372 0.000 1.212 440 N HN 0.531 nan 8.380 nan 0.000 0.493 441 M N 2.328 121.831 119.600 -0.160 0.000 2.374 441 M HA -0.055 4.416 4.480 -0.015 0.000 0.264 441 M C 1.877 178.027 176.300 -0.249 0.000 1.067 441 M CA 0.607 55.828 55.300 -0.132 0.000 1.103 441 M CB -1.415 31.163 32.600 -0.037 0.000 1.402 441 M HN 0.592 nan 8.290 nan 0.000 0.444 442 A N -0.741 121.907 122.820 -0.287 0.000 1.929 442 A HA -0.149 4.162 4.320 -0.015 0.000 0.216 442 A C 1.917 179.243 177.584 -0.430 0.000 1.176 442 A CA 1.280 53.100 52.037 -0.361 0.000 0.628 442 A CB -1.060 17.905 19.000 -0.060 0.000 0.816 442 A HN 0.594 nan 8.150 nan 0.000 0.444 443 H N -1.020 117.824 119.070 -0.376 0.000 2.423 443 H HA 0.010 4.557 4.556 -0.015 0.000 0.297 443 H C 2.072 177.190 175.328 -0.350 0.000 1.075 443 H CA 0.844 56.629 56.048 -0.438 0.000 1.342 443 H CB 0.004 29.704 29.762 -0.104 0.000 1.395 443 H HN 0.389 nan 8.280 nan 0.000 0.530 444 L N 0.175 121.308 121.223 -0.149 0.000 1.994 444 L HA -0.221 4.111 4.340 -0.015 0.000 0.208 444 L C 2.178 178.933 176.870 -0.192 0.000 1.071 444 L CA 1.277 56.038 54.840 -0.131 0.000 0.745 444 L CB -0.356 41.648 42.059 -0.090 0.000 0.892 444 L HN 0.442 nan 8.230 nan 0.000 0.431 445 C N 0.214 119.314 119.300 -0.334 0.000 2.413 445 C HA -0.190 4.262 4.460 -0.015 0.000 0.276 445 C C 2.662 177.457 174.990 -0.326 0.000 1.236 445 C CA 0.755 59.517 59.018 -0.427 0.000 1.735 445 C CB -0.819 26.347 27.740 -0.958 0.000 2.031 445 C HN 0.526 nan 8.230 nan 0.000 0.474 446 I N 1.510 121.857 120.570 -0.373 0.000 2.208 446 I HA -0.227 3.935 4.170 -0.015 0.000 0.245 446 I C 2.760 178.778 176.117 -0.164 0.000 1.097 446 I CA 1.718 62.850 61.300 -0.280 0.000 1.363 446 I CB -0.671 37.072 38.000 -0.429 0.000 1.051 446 I HN 0.294 nan 8.210 nan 0.000 0.413 447 A N 0.818 123.514 122.820 -0.206 0.000 1.877 447 A HA -0.081 4.231 4.320 -0.015 0.000 0.216 447 A C 2.266 179.935 177.584 0.142 0.000 1.186 447 A CA 1.862 53.805 52.037 -0.155 0.000 0.620 447 A CB -1.233 17.514 19.000 -0.422 0.000 0.822 447 A HN 0.469 nan 8.150 nan 0.000 0.443 448 G N -1.319 107.529 108.800 0.080 0.000 3.233 448 G HA2 0.365 4.316 3.960 -0.015 0.000 0.227 448 G HA3 0.365 4.316 3.960 -0.015 0.000 0.227 448 G C 0.331 175.070 174.900 -0.269 0.000 1.175 448 G CA 0.750 45.778 45.100 -0.120 0.000 0.781 448 G HN 0.439 nan 8.290 nan 0.000 0.542 449 S N -0.407 115.212 115.700 -0.135 0.000 2.532 449 S HA 0.383 4.845 4.470 -0.015 0.000 0.301 449 S C 1.101 175.674 174.600 -0.046 0.000 1.083 449 S CA -0.751 57.393 58.200 -0.093 0.000 1.025 449 S CB 0.807 63.953 63.200 -0.091 0.000 1.056 449 S HN 0.483 nan 8.310 nan 0.000 0.494 450 H N 1.804 120.844 119.070 -0.050 0.000 2.553 450 H HA 0.498 5.045 4.556 -0.015 0.000 0.265 450 H C 0.053 175.365 175.328 -0.026 0.000 0.964 450 H CA 0.258 56.298 56.048 -0.012 0.000 1.156 450 H CB 0.072 29.841 29.762 0.012 0.000 1.411 450 H HN 0.470 nan 8.280 nan 0.000 0.558 451 A N 1.287 123.821 122.820 -0.476 0.000 2.437 451 A HA 0.530 4.841 4.320 -0.015 0.000 0.293 451 A C -1.317 176.070 177.584 -0.329 0.000 1.038 451 A CA -0.574 51.230 52.037 -0.390 0.000 0.708 451 A CB 1.952 20.680 19.000 -0.454 0.000 1.251 451 A HN 0.092 nan 8.150 nan 0.000 0.409 452 V N 4.611 124.291 119.914 -0.390 0.000 2.448 452 V HA 0.539 4.650 4.120 -0.015 0.000 0.295 452 V C -0.325 175.591 176.094 -0.296 0.000 1.025 452 V CA -0.739 61.349 62.300 -0.354 0.000 0.859 452 V CB 1.618 33.124 31.823 -0.528 0.000 0.988 452 V HN 1.008 nan 8.190 nan 0.000 0.431 453 N N 3.010 121.557 118.700 -0.255 0.000 2.312 453 N HA 0.663 5.394 4.740 -0.015 0.000 0.296 453 N C -0.446 174.972 175.510 -0.154 0.000 1.193 453 N CA -0.448 52.492 53.050 -0.183 0.000 0.773 453 N CB 2.962 41.307 38.487 -0.236 0.000 1.435 453 N HN 0.654 nan 8.380 nan 0.000 0.484 454 G N -0.963 107.792 108.800 -0.074 0.000 2.489 454 G HA2 0.448 4.399 3.960 -0.015 0.000 0.327 454 G HA3 0.448 4.399 3.960 -0.015 0.000 0.327 454 G C 0.649 175.613 174.900 0.106 0.000 1.189 454 G CA -0.713 44.411 45.100 0.040 0.000 0.962 454 G HN 0.576 nan 8.290 nan 0.000 0.486 455 V N -2.732 117.310 119.914 0.214 0.000 3.444 455 V HA 0.669 4.780 4.120 -0.015 0.000 0.308 455 V C 0.625 176.765 176.094 0.077 0.000 1.371 455 V CA 0.293 62.630 62.300 0.061 0.000 1.141 455 V CB -0.812 30.964 31.823 -0.078 0.000 1.037 455 V HN 1.324 nan 8.190 nan 0.000 0.433 456 A N 0.170 123.061 122.820 0.117 0.000 2.577 456 A HA 0.596 4.907 4.320 -0.015 0.000 0.297 456 A C 0.806 178.434 177.584 0.074 0.000 1.060 456 A CA -0.176 51.912 52.037 0.085 0.000 0.697 456 A CB 1.229 20.268 19.000 0.065 0.000 1.281 456 A HN 0.028 nan 8.150 nan 0.000 0.402 457 R N 1.622 122.147 120.500 0.041 0.000 2.154 457 R HA -0.173 4.159 4.340 -0.015 0.000 0.248 457 R C 1.386 177.683 176.300 -0.004 0.000 1.155 457 R CA 2.316 58.421 56.100 0.009 0.000 0.979 457 R CB -0.211 30.090 30.300 0.003 0.000 0.869 457 R HN 0.867 nan 8.270 nan 0.000 0.452 458 I N 0.150 120.725 120.570 0.010 0.000 2.286 458 I HA -0.270 3.891 4.170 -0.015 0.000 0.245 458 I C 2.389 178.505 176.117 -0.002 0.000 1.104 458 I CA 1.763 63.060 61.300 -0.005 0.000 1.397 458 I CB -0.297 37.701 38.000 -0.003 0.000 1.072 458 I HN 0.304 nan 8.210 nan 0.000 0.417 459 H N 0.750 119.788 119.070 -0.053 0.000 2.319 459 H HA -0.152 4.395 4.556 -0.015 0.000 0.299 459 H C 2.189 177.477 175.328 -0.067 0.000 1.092 459 H CA 2.305 58.314 56.048 -0.065 0.000 1.302 459 H CB -0.304 29.422 29.762 -0.059 0.000 1.373 459 H HN 0.292 nan 8.280 nan 0.000 0.497 460 S N 0.275 115.864 115.700 -0.184 0.000 2.474 460 S HA -0.090 4.371 4.470 -0.015 0.000 0.235 460 S C 1.757 176.259 174.600 -0.164 0.000 0.997 460 S CA 0.949 59.036 58.200 -0.188 0.000 0.949 460 S CB 0.014 63.168 63.200 -0.077 0.000 0.766 460 S HN 0.432 nan 8.310 nan 0.000 0.517 461 E N 1.465 121.581 120.200 -0.140 0.000 2.060 461 E HA 0.080 4.421 4.350 -0.015 0.000 0.189 461 E C 2.093 178.588 176.600 -0.175 0.000 0.974 461 E CA 0.297 56.606 56.400 -0.152 0.000 0.808 461 E CB -0.387 29.247 29.700 -0.109 0.000 0.768 461 E HN 0.303 nan 8.360 nan 0.000 0.453 462 I N 1.418 121.893 120.570 -0.157 0.000 2.229 462 I HA -0.314 3.847 4.170 -0.015 0.000 0.250 462 I C 2.355 178.344 176.117 -0.214 0.000 1.096 462 I CA 1.249 62.452 61.300 -0.162 0.000 1.358 462 I CB -1.144 36.777 38.000 -0.131 0.000 1.047 462 I HN 0.118 nan 8.210 nan 0.000 0.422 463 L N 0.657 121.720 121.223 -0.267 0.000 1.988 463 L HA -0.201 4.130 4.340 -0.015 0.000 0.207 463 L C 2.555 179.317 176.870 -0.181 0.000 1.071 463 L CA 1.563 56.247 54.840 -0.260 0.000 0.744 463 L CB -0.671 41.283 42.059 -0.175 0.000 0.893 463 L HN 0.314 nan 8.230 nan 0.000 0.433 464 K N -0.692 119.552 120.400 -0.260 0.000 2.432 464 K HA -0.065 4.246 4.320 -0.015 0.000 0.196 464 K C 1.680 178.075 176.600 -0.342 0.000 1.038 464 K CA 0.591 56.598 56.287 -0.466 0.000 0.986 464 K CB 0.060 31.955 32.500 -1.009 0.000 0.782 464 K HN 0.166 nan 8.250 nan 0.000 0.485 465 K N 0.767 121.030 120.400 -0.228 0.000 2.128 465 K HA 0.087 4.398 4.320 -0.015 0.000 0.202 465 K C 1.507 178.056 176.600 -0.086 0.000 1.050 465 K CA 1.158 57.362 56.287 -0.138 0.000 0.966 465 K CB 0.217 32.645 32.500 -0.120 0.000 0.759 465 K HN 0.157 nan 8.250 nan 0.000 0.454 466 T N 1.246 115.740 114.554 -0.100 0.000 3.391 466 T HA 0.176 4.517 4.350 -0.015 0.000 0.233 466 T C 2.056 176.715 174.700 -0.068 0.000 0.960 466 T CA 0.210 62.264 62.100 -0.077 0.000 1.342 466 T CB -0.066 68.746 68.868 -0.094 0.000 1.124 466 T HN 0.055 nan 8.240 nan 0.000 0.396 467 I N -0.530 119.940 120.570 -0.166 0.000 2.406 467 I HA 0.136 4.297 4.170 -0.015 0.000 0.249 467 I C 0.823 176.945 176.117 0.008 0.000 1.122 467 I CA 1.348 62.525 61.300 -0.206 0.000 1.431 467 I CB -0.262 37.399 38.000 -0.565 0.000 1.087 467 I HN 0.071 nan 8.210 nan 0.000 0.424 468 F N 2.842 122.869 119.950 0.128 0.000 2.850 468 F HA 0.263 4.781 4.527 -0.015 0.000 0.306 468 F C 1.858 177.781 175.800 0.205 0.000 1.162 468 F CA -1.252 56.907 58.000 0.266 0.000 1.327 468 F CB -0.333 38.833 39.000 0.276 0.000 0.953 468 F HN 0.039 nan 8.300 nan 0.000 0.507 469 K N -0.003 120.541 120.400 0.239 0.000 2.026 469 K HA -0.186 4.126 4.320 -0.015 0.000 0.208 469 K C 1.064 177.741 176.600 0.128 0.000 1.048 469 K CA 1.764 58.141 56.287 0.150 0.000 0.929 469 K CB -0.777 31.761 32.500 0.063 0.000 0.713 469 K HN 0.149 nan 8.250 nan 0.000 0.439 470 D N 0.523 120.954 120.400 0.051 0.000 2.149 470 D HA -0.167 4.464 4.640 -0.015 0.000 0.194 470 D C 1.967 178.112 176.300 -0.258 0.000 1.001 470 D CA 1.344 55.217 54.000 -0.210 0.000 0.849 470 D CB -0.332 40.253 40.800 -0.359 0.000 0.939 470 D HN 0.267 nan 8.370 nan 0.000 0.449 471 F N -0.343 119.660 119.950 0.088 0.000 2.163 471 F HA -0.127 4.391 4.527 -0.015 0.000 0.297 471 F C 2.381 178.263 175.800 0.137 0.000 1.094 471 F CA 0.517 58.642 58.000 0.209 0.000 1.290 471 F CB -0.729 38.467 39.000 0.328 0.000 1.017 471 F HN -0.041 nan 8.300 nan 0.000 0.483 472 Y N 1.390 121.603 120.300 -0.145 0.000 2.224 472 Y HA -0.192 4.350 4.550 -0.015 0.000 0.289 472 Y C 2.090 177.921 175.900 -0.115 0.000 1.146 472 Y CA 1.662 59.437 58.100 -0.542 0.000 1.182 472 Y CB -0.592 37.395 38.460 -0.788 0.000 0.983 472 Y HN 0.143 nan 8.280 nan 0.000 0.524 473 E N -0.469 119.537 120.200 -0.324 0.000 2.150 473 E HA -0.179 4.163 4.350 -0.015 0.000 0.193 473 E C 2.029 178.661 176.600 0.053 0.000 0.985 473 E CA 0.828 57.124 56.400 -0.172 0.000 0.814 473 E CB -0.154 29.530 29.700 -0.027 0.000 0.752 473 E HN 0.347 nan 8.360 nan 0.000 0.466 474 L N 0.890 122.171 121.223 0.096 0.000 2.068 474 L HA -0.017 4.314 4.340 -0.015 0.000 0.204 474 L C 0.411 177.350 176.870 0.115 0.000 1.076 474 L CA 1.842 56.802 54.840 0.199 0.000 0.753 474 L CB -0.099 42.056 42.059 0.160 0.000 0.910 474 L HN -0.010 nan 8.230 nan 0.000 0.439 475 E N -0.154 120.095 120.200 0.081 0.000 3.898 475 E HA 0.142 4.483 4.350 -0.015 0.000 0.219 475 E C -1.731 174.846 176.600 -0.039 0.000 1.207 475 E CA -1.196 55.191 56.400 -0.023 0.000 1.240 475 E CB 0.818 30.466 29.700 -0.086 0.000 1.239 475 E HN 0.223 nan 8.360 nan 0.000 0.422 476 P HA -0.275 nan 4.420 nan 0.000 0.218 476 P C 1.157 178.637 177.300 0.300 0.000 1.146 476 P CA 1.452 64.468 63.100 -0.139 0.000 0.813 476 P CB -0.047 31.440 31.700 -0.356 0.000 0.778 477 H N 0.370 119.568 119.070 0.214 0.000 2.489 477 H HA 0.042 4.589 4.556 -0.015 0.000 0.293 477 H C 1.302 176.735 175.328 0.176 0.000 1.066 477 H CA 0.761 56.915 56.048 0.178 0.000 1.305 477 H CB -0.546 29.287 29.762 0.117 0.000 1.386 477 H HN 0.180 nan 8.280 nan 0.000 0.551 478 K N 0.179 120.574 120.400 -0.008 0.000 2.418 478 K HA 0.079 4.390 4.320 -0.015 0.000 0.195 478 K C -0.459 175.994 176.600 -0.245 0.000 1.035 478 K CA 0.111 56.297 56.287 -0.168 0.000 1.003 478 K CB 0.265 32.483 32.500 -0.470 0.000 0.793 478 K HN 0.101 nan 8.250 nan 0.000 0.494 479 F N 1.826 121.830 119.950 0.090 0.000 2.385 479 F HA 0.263 4.781 4.527 -0.015 0.000 0.360 479 F C 0.370 176.188 175.800 0.028 0.000 1.122 479 F CA -0.597 57.455 58.000 0.086 0.000 1.090 479 F CB 1.097 40.222 39.000 0.207 0.000 1.150 479 F HN -0.181 nan 8.300 nan 0.000 0.472 480 Q N 2.104 121.930 119.800 0.044 0.000 2.445 480 Q HA 0.415 4.746 4.340 -0.015 0.000 0.281 480 Q C -1.001 174.961 176.000 -0.064 0.000 1.101 480 Q CA -1.213 54.568 55.803 -0.036 0.000 0.833 480 Q CB 3.305 31.961 28.738 -0.136 0.000 1.416 480 Q HN 0.616 nan 8.270 nan 0.000 0.451 481 N N 0.690 119.334 118.700 -0.092 0.000 2.249 481 N HA 0.263 4.994 4.740 -0.015 0.000 0.296 481 N C -1.576 173.842 175.510 -0.152 0.000 1.051 481 N CA -0.407 52.590 53.050 -0.088 0.000 0.815 481 N CB 1.315 39.773 38.487 -0.048 0.000 1.487 481 N HN 0.319 nan 8.380 nan 0.000 0.475 482 K N 2.683 122.990 120.400 -0.155 0.000 2.690 482 K HA 0.197 4.508 4.320 -0.015 0.000 0.243 482 K C -0.954 175.645 176.600 -0.001 0.000 0.982 482 K CA -0.502 55.673 56.287 -0.186 0.000 0.955 482 K CB 1.440 33.627 32.500 -0.523 0.000 1.185 482 K HN 0.559 nan 8.250 nan 0.000 0.467 483 T N 2.102 116.676 114.554 0.034 0.000 2.928 483 T HA 0.077 4.419 4.350 -0.015 0.000 0.305 483 T C 0.784 175.593 174.700 0.182 0.000 1.035 483 T CA 0.220 62.385 62.100 0.108 0.000 1.145 483 T CB 0.382 69.318 68.868 0.114 0.000 0.963 483 T HN 0.364 nan 8.240 nan 0.000 0.545 484 N N 0.255 119.080 118.700 0.209 0.000 2.288 484 N HA 0.494 5.225 4.740 -0.015 0.000 0.237 484 N C 0.427 176.099 175.510 0.270 0.000 1.311 484 N CA -0.315 52.890 53.050 0.259 0.000 0.909 484 N CB 0.446 39.038 38.487 0.174 0.000 1.167 484 N HN 0.778 nan 8.380 nan 0.000 0.476 485 G N -0.588 108.377 108.800 0.275 0.000 2.649 485 G HA2 0.611 4.562 3.960 -0.015 0.000 0.290 485 G HA3 0.611 4.562 3.960 -0.015 0.000 0.290 485 G C -1.646 173.380 174.900 0.211 0.000 1.426 485 G CA -0.365 44.886 45.100 0.252 0.000 0.794 485 G HN 0.375 nan 8.290 nan 0.000 0.483 486 I N -0.751 119.933 120.570 0.190 0.000 3.067 486 I HA 0.734 4.895 4.170 -0.015 0.000 0.312 486 I C 0.074 176.336 176.117 0.241 0.000 1.073 486 I CA -0.729 60.680 61.300 0.181 0.000 1.016 486 I CB 2.684 40.715 38.000 0.052 0.000 1.227 486 I HN 0.491 nan 8.210 nan 0.000 0.456 487 T N 4.577 119.336 114.554 0.341 0.000 2.779 487 T HA 0.452 4.793 4.350 -0.015 0.000 0.280 487 T C -1.990 172.802 174.700 0.154 0.000 0.987 487 T CA -2.021 60.191 62.100 0.187 0.000 0.966 487 T CB 1.334 70.265 68.868 0.104 0.000 0.933 487 T HN 0.353 nan 8.240 nan 0.000 0.442 488 P HA -0.058 nan 4.420 nan 0.000 0.218 488 P C 1.213 178.454 177.300 -0.098 0.000 1.149 488 P CA 0.756 63.858 63.100 0.005 0.000 0.817 488 P CB 0.368 32.042 31.700 -0.044 0.000 0.785 489 R N 0.365 120.754 120.500 -0.186 0.000 2.126 489 R HA -0.085 4.246 4.340 -0.015 0.000 0.224 489 R C 2.700 178.872 176.300 -0.213 0.000 1.128 489 R CA 1.888 57.849 56.100 -0.232 0.000 0.895 489 R CB -1.561 28.615 30.300 -0.206 0.000 0.817 489 R HN 0.065 nan 8.270 nan 0.000 0.435 490 R N -0.593 119.730 120.500 -0.295 0.000 2.103 490 R HA -0.164 4.167 4.340 -0.015 0.000 0.242 490 R C 1.351 177.296 176.300 -0.592 0.000 1.142 490 R CA 1.984 57.773 56.100 -0.518 0.000 0.960 490 R CB -0.344 29.526 30.300 -0.716 0.000 0.858 490 R HN 0.370 nan 8.270 nan 0.000 0.439 491 W N -0.515 120.741 121.300 -0.074 0.000 3.353 491 W HA 0.165 4.815 4.660 -0.016 0.000 0.304 491 W C 0.969 177.457 176.519 -0.052 0.000 1.273 491 W CA -0.724 56.578 57.345 -0.072 0.000 1.773 491 W CB 0.477 29.899 29.460 -0.064 0.000 1.095 491 W HN 0.275 nan 8.180 nan 0.000 0.676 492 L N -2.623 118.634 121.223 0.057 0.000 2.230 492 L HA 0.185 4.516 4.340 -0.015 0.000 0.164 492 L C 1.629 178.504 176.870 0.009 0.000 1.237 492 L CA 0.786 55.663 54.840 0.062 0.000 1.030 492 L CB -0.859 41.261 42.059 0.101 0.000 2.103 492 L HN -0.246 nan 8.230 nan 0.000 0.490 493 V N 1.330 121.221 119.914 -0.038 0.000 2.261 493 V HA -0.257 3.854 4.120 -0.015 0.000 0.246 493 V C 2.464 178.526 176.094 -0.053 0.000 1.047 493 V CA 2.521 64.791 62.300 -0.049 0.000 1.015 493 V CB -0.721 31.035 31.823 -0.112 0.000 0.642 493 V HN 0.530 nan 8.190 nan 0.000 0.446 494 L N 0.628 121.792 121.223 -0.099 0.000 2.007 494 L HA -0.181 4.150 4.340 -0.015 0.000 0.205 494 L C 2.551 179.357 176.870 -0.107 0.000 1.073 494 L CA 2.470 57.240 54.840 -0.116 0.000 0.744 494 L CB -0.353 41.591 42.059 -0.192 0.000 0.898 494 L HN 0.643 nan 8.230 nan 0.000 0.435 495 C N -0.823 118.403 119.300 -0.124 0.000 2.500 495 C HA 0.139 4.590 4.460 -0.015 0.000 0.273 495 C C 1.084 176.062 174.990 -0.020 0.000 1.428 495 C CA -0.107 58.865 59.018 -0.077 0.000 1.766 495 C CB -1.314 26.378 27.740 -0.081 0.000 1.817 495 C HN 0.663 nan 8.230 nan 0.000 0.543 496 N N 0.835 119.534 118.700 -0.001 0.000 2.697 496 N HA 0.265 4.996 4.740 -0.015 0.000 0.253 496 N C -1.912 173.617 175.510 0.031 0.000 1.604 496 N CA -1.379 51.684 53.050 0.022 0.000 0.772 496 N CB 0.833 39.343 38.487 0.037 0.000 1.267 496 N HN 0.242 nan 8.380 nan 0.000 0.510 497 P HA 0.058 nan 4.420 nan 0.000 0.229 497 P C 1.299 178.625 177.300 0.044 0.000 1.160 497 P CA 0.523 63.642 63.100 0.032 0.000 0.777 497 P CB 0.348 32.061 31.700 0.021 0.000 0.814 498 G N 1.306 110.129 108.800 0.038 0.000 2.453 498 G HA2 -0.240 3.711 3.960 -0.015 0.000 0.215 498 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.215 498 G C 1.450 176.374 174.900 0.041 0.000 1.201 498 G CA 0.686 45.806 45.100 0.034 0.000 0.784 498 G HN 0.246 nan 8.290 nan 0.000 0.545 499 L N 1.493 122.741 121.223 0.042 0.000 2.042 499 L HA 0.076 4.407 4.340 -0.015 0.000 0.210 499 L C 2.983 179.910 176.870 0.094 0.000 1.076 499 L CA 2.315 57.185 54.840 0.050 0.000 0.749 499 L CB -0.681 41.410 42.059 0.053 0.000 0.893 499 L HN 0.247 nan 8.230 nan 0.000 0.432 500 A N -1.040 121.851 122.820 0.118 0.000 1.968 500 A HA -0.186 4.125 4.320 -0.015 0.000 0.217 500 A C 2.299 179.995 177.584 0.187 0.000 1.169 500 A CA 1.411 53.569 52.037 0.201 0.000 0.638 500 A CB -0.625 18.471 19.000 0.161 0.000 0.812 500 A HN 0.646 nan 8.150 nan 0.000 0.446 501 E N 0.802 121.072 120.200 0.117 0.000 2.015 501 E HA -0.196 4.146 4.350 -0.015 0.000 0.191 501 E C 2.020 178.675 176.600 0.093 0.000 0.991 501 E CA 1.673 58.132 56.400 0.098 0.000 0.802 501 E CB -0.397 29.343 29.700 0.067 0.000 0.759 501 E HN 0.717 nan 8.360 nan 0.000 0.447 502 I N -0.888 119.732 120.570 0.083 0.000 2.423 502 I HA -0.214 3.947 4.170 -0.015 0.000 0.254 502 I C 2.294 178.511 176.117 0.167 0.000 1.151 502 I CA 1.187 62.552 61.300 0.108 0.000 1.421 502 I CB -0.259 37.774 38.000 0.054 0.000 1.079 502 I HN 0.074 nan 8.210 nan 0.000 0.431 503 I N 1.731 122.372 120.570 0.118 0.000 2.162 503 I HA -0.182 3.979 4.170 -0.015 0.000 0.238 503 I C 2.962 179.018 176.117 -0.101 0.000 1.076 503 I CA 1.347 62.633 61.300 -0.024 0.000 1.353 503 I CB -0.635 37.267 38.000 -0.163 0.000 1.063 503 I HN 0.317 nan 8.210 nan 0.000 0.408 504 A N 0.636 123.493 122.820 0.062 0.000 2.024 504 A HA -0.218 4.093 4.320 -0.015 0.000 0.220 504 A C 2.114 179.726 177.584 0.046 0.000 1.164 504 A CA 1.582 53.705 52.037 0.143 0.000 0.643 504 A CB -0.663 18.499 19.000 0.271 0.000 0.806 504 A HN 0.522 nan 8.150 nan 0.000 0.451 505 E N -0.619 119.596 120.200 0.025 0.000 2.160 505 E HA -0.228 4.113 4.350 -0.015 0.000 0.195 505 E C 2.163 178.730 176.600 -0.055 0.000 0.991 505 E CA 1.247 57.650 56.400 0.004 0.000 0.810 505 E CB -0.144 29.568 29.700 0.021 0.000 0.742 505 E HN 0.442 nan 8.360 nan 0.000 0.466 506 R N 0.526 120.928 120.500 -0.164 0.000 2.064 506 R HA 0.080 4.411 4.340 -0.015 0.000 0.221 506 R C 2.258 178.438 176.300 -0.200 0.000 1.136 506 R CA 0.942 56.853 56.100 -0.315 0.000 0.980 506 R CB -0.281 29.506 30.300 -0.855 0.000 0.876 506 R HN 0.294 nan 8.270 nan 0.000 0.437 507 I N -3.048 117.403 120.570 -0.198 0.000 3.974 507 I HA 0.520 4.681 4.170 -0.015 0.000 0.334 507 I C 0.285 176.395 176.117 -0.012 0.000 1.437 507 I CA -0.035 61.199 61.300 -0.110 0.000 1.113 507 I CB 0.650 38.540 38.000 -0.183 0.000 1.063 507 I HN 0.184 nan 8.210 nan 0.000 0.400 508 G N 1.619 110.441 108.800 0.036 0.000 2.781 508 G HA2 -0.217 3.734 3.960 -0.015 0.000 0.683 508 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.683 508 G C -0.085 174.970 174.900 0.257 0.000 1.390 508 G CA -0.022 45.145 45.100 0.111 0.000 0.850 508 G HN 0.471 nan 8.290 nan 0.000 0.557 509 E N -0.366 119.957 120.200 0.206 0.000 2.479 509 E HA 0.046 4.387 4.350 -0.015 0.000 0.193 509 E C 1.809 178.455 176.600 0.077 0.000 1.049 509 E CA -0.082 56.410 56.400 0.152 0.000 0.870 509 E CB 0.168 29.910 29.700 0.070 0.000 0.944 509 E HN 0.488 nan 8.360 nan 0.000 0.492 510 E N 0.143 120.427 120.200 0.140 0.000 2.338 510 E HA -0.164 4.177 4.350 -0.015 0.000 0.197 510 E C 1.499 178.151 176.600 0.087 0.000 1.007 510 E CA 0.672 57.129 56.400 0.096 0.000 0.849 510 E CB 0.067 29.823 29.700 0.093 0.000 0.774 510 E HN 0.527 nan 8.360 nan 0.000 0.506 511 Y N -1.232 119.074 120.300 0.011 0.000 2.439 511 Y HA 0.027 4.570 4.550 -0.012 0.000 0.292 511 Y C 1.817 177.695 175.900 -0.037 0.000 1.130 511 Y CA 0.423 58.519 58.100 -0.007 0.000 1.254 511 Y CB -0.824 37.632 38.460 -0.006 0.000 1.000 511 Y HN -0.094 nan 8.280 nan 0.000 0.554 512 I N 0.827 121.056 120.570 -0.568 0.000 3.001 512 I HA -0.139 4.022 4.170 -0.015 0.000 0.268 512 I C 1.017 176.906 176.117 -0.379 0.000 1.267 512 I CA 1.331 62.279 61.300 -0.587 0.000 1.472 512 I CB -0.308 37.210 38.000 -0.802 0.000 1.089 512 I HN 0.344 nan 8.210 nan 0.000 0.468 513 S N -1.692 113.907 115.700 -0.167 0.000 2.846 513 S HA 0.244 4.705 4.470 -0.015 0.000 0.249 513 S C 0.016 174.613 174.600 -0.006 0.000 1.028 513 S CA -0.483 57.683 58.200 -0.056 0.000 1.043 513 S CB 0.364 63.601 63.200 0.061 0.000 0.990 513 S HN 0.276 nan 8.310 nan 0.000 0.564 514 D N 0.852 121.255 120.400 0.004 0.000 2.881 514 D HA 0.167 4.798 4.640 -0.015 0.000 0.238 514 D C 0.328 176.671 176.300 0.071 0.000 1.368 514 D CA -0.293 53.728 54.000 0.035 0.000 0.871 514 D CB -0.047 40.781 40.800 0.046 0.000 1.516 514 D HN 0.136 nan 8.370 nan 0.000 0.544 515 L N 0.782 122.039 121.223 0.058 0.000 2.291 515 L HA -0.019 4.312 4.340 -0.015 0.000 0.214 515 L C 1.061 177.970 176.870 0.066 0.000 1.120 515 L CA 0.872 55.770 54.840 0.097 0.000 0.799 515 L CB 0.213 42.317 42.059 0.076 0.000 0.925 515 L HN 0.274 nan 8.230 nan 0.000 0.446 516 D N -0.217 120.197 120.400 0.023 0.000 2.309 516 D HA -0.194 4.437 4.640 -0.015 0.000 0.212 516 D C 2.023 178.330 176.300 0.012 0.000 0.968 516 D CA 0.638 54.637 54.000 -0.001 0.000 0.882 516 D CB 0.069 40.855 40.800 -0.024 0.000 0.918 516 D HN 0.451 nan 8.370 nan 0.000 0.503 517 Q N -0.071 119.751 119.800 0.036 0.000 2.268 517 Q HA -0.195 4.136 4.340 -0.015 0.000 0.210 517 Q C 2.018 178.014 176.000 -0.007 0.000 0.988 517 Q CA 0.574 56.396 55.803 0.033 0.000 0.883 517 Q CB -0.126 28.660 28.738 0.081 0.000 0.911 517 Q HN 0.238 nan 8.270 nan 0.000 0.430 518 L N 0.667 121.885 121.223 -0.008 0.000 2.261 518 L HA -0.174 4.157 4.340 -0.015 0.000 0.216 518 L C 2.143 178.995 176.870 -0.030 0.000 1.114 518 L CA 1.496 56.303 54.840 -0.055 0.000 0.777 518 L CB -0.342 41.715 42.059 -0.004 0.000 0.910 518 L HN 0.074 nan 8.230 nan 0.000 0.440 519 R N -0.593 119.902 120.500 -0.009 0.000 2.170 519 R HA -0.188 4.143 4.340 -0.015 0.000 0.242 519 R C 1.992 178.289 176.300 -0.003 0.000 1.145 519 R CA 1.192 57.290 56.100 -0.002 0.000 0.984 519 R CB -0.088 30.209 30.300 -0.005 0.000 0.869 519 R HN 0.402 nan 8.270 nan 0.000 0.455 520 K N 0.312 120.706 120.400 -0.011 0.000 2.360 520 K HA -0.120 4.192 4.320 -0.015 0.000 0.201 520 K C 1.655 178.277 176.600 0.036 0.000 1.046 520 K CA 0.803 57.093 56.287 0.006 0.000 0.945 520 K CB -0.037 32.463 32.500 0.001 0.000 0.750 520 K HN 0.273 nan 8.250 nan 0.000 0.464 521 L N 0.794 122.012 121.223 -0.008 0.000 2.633 521 L HA -0.115 4.216 4.340 -0.015 0.000 0.235 521 L C 1.779 178.693 176.870 0.074 0.000 1.163 521 L CA -0.055 54.783 54.840 -0.003 0.000 0.859 521 L CB -0.248 41.783 42.059 -0.047 0.000 0.973 521 L HN 0.101 nan 8.230 nan 0.000 0.451 522 L N -0.206 121.045 121.223 0.047 0.000 2.201 522 L HA -0.137 4.194 4.340 -0.015 0.000 0.212 522 L C 2.689 179.558 176.870 -0.001 0.000 1.105 522 L CA 1.687 56.545 54.840 0.031 0.000 0.775 522 L CB -0.753 41.313 42.059 0.011 0.000 0.913 522 L HN 0.308 nan 8.230 nan 0.000 0.440 523 S N -2.374 113.296 115.700 -0.049 0.000 2.515 523 S HA -0.116 4.345 4.470 -0.015 0.000 0.231 523 S C 1.304 175.711 174.600 -0.322 0.000 0.987 523 S CA 0.542 58.617 58.200 -0.207 0.000 0.936 523 S CB -0.514 62.486 63.200 -0.334 0.000 0.766 523 S HN 0.458 nan 8.310 nan 0.000 0.528 524 Y N 0.190 120.427 120.300 -0.104 0.000 2.531 524 Y HA 0.422 4.971 4.550 -0.002 0.000 0.249 524 Y C 1.839 177.769 175.900 0.050 0.000 1.168 524 Y CA -0.745 57.295 58.100 -0.100 0.000 1.226 524 Y CB -0.025 38.206 38.460 -0.382 0.000 1.177 524 Y HN 0.054 nan 8.280 nan 0.000 0.527 525 V N 0.156 120.159 119.914 0.149 0.000 2.453 525 V HA -0.282 3.829 4.120 -0.015 0.000 0.252 525 V C 1.393 177.564 176.094 0.130 0.000 1.068 525 V CA 2.202 64.592 62.300 0.149 0.000 1.070 525 V CB -0.123 31.749 31.823 0.082 0.000 0.664 525 V HN 0.405 nan 8.190 nan 0.000 0.461 526 D N -0.964 119.491 120.400 0.092 0.000 2.395 526 D HA 0.065 4.696 4.640 -0.015 0.000 0.213 526 D C 0.495 176.848 176.300 0.089 0.000 1.110 526 D CA 0.022 54.066 54.000 0.072 0.000 0.835 526 D CB 0.152 40.970 40.800 0.030 0.000 0.965 526 D HN 0.404 nan 8.370 nan 0.000 0.505 527 D N 1.216 121.706 120.400 0.150 0.000 2.312 527 D HA -0.031 4.600 4.640 -0.015 0.000 0.252 527 D C 1.042 177.457 176.300 0.192 0.000 1.150 527 D CA -0.040 54.068 54.000 0.179 0.000 0.870 527 D CB 1.769 42.749 40.800 0.301 0.000 1.153 527 D HN -0.225 nan 8.370 nan 0.000 0.457 528 E N 2.991 123.269 120.200 0.129 0.000 2.152 528 E HA -0.014 4.327 4.350 -0.015 0.000 0.192 528 E C 1.591 178.249 176.600 0.098 0.000 0.983 528 E CA 1.067 57.523 56.400 0.095 0.000 0.818 528 E CB -0.022 29.716 29.700 0.062 0.000 0.758 528 E HN 0.572 nan 8.360 nan 0.000 0.467 529 A N -0.602 122.295 122.820 0.129 0.000 1.975 529 A HA -0.033 4.278 4.320 -0.015 0.000 0.215 529 A C 1.983 179.649 177.584 0.137 0.000 1.170 529 A CA 0.646 52.749 52.037 0.111 0.000 0.656 529 A CB -0.626 18.445 19.000 0.118 0.000 0.821 529 A HN 0.346 nan 8.150 nan 0.000 0.449 530 F N 0.664 120.645 119.950 0.051 0.000 2.186 530 F HA -0.028 4.491 4.527 -0.014 0.000 0.299 530 F C 1.881 177.700 175.800 0.031 0.000 1.090 530 F CA 1.000 59.018 58.000 0.031 0.000 1.307 530 F CB -0.168 38.869 39.000 0.062 0.000 1.019 530 F HN 0.152 nan 8.300 nan 0.000 0.489 531 I N -0.260 120.341 120.570 0.051 0.000 2.361 531 I HA -0.281 3.880 4.170 -0.015 0.000 0.251 531 I C 2.161 178.225 176.117 -0.089 0.000 1.133 531 I CA 1.224 62.507 61.300 -0.029 0.000 1.413 531 I CB -0.315 37.717 38.000 0.052 0.000 1.073 531 I HN 0.070 nan 8.210 nan 0.000 0.424 532 R N 0.046 120.508 120.500 -0.063 0.000 2.173 532 R HA -0.052 4.279 4.340 -0.015 0.000 0.208 532 R C 1.639 177.879 176.300 -0.101 0.000 1.035 532 R CA 0.725 56.790 56.100 -0.058 0.000 1.004 532 R CB -0.073 30.215 30.300 -0.020 0.000 0.917 532 R HN 0.264 nan 8.270 nan 0.000 0.462 533 D N 0.147 120.445 120.400 -0.169 0.000 2.110 533 D HA -0.082 4.549 4.640 -0.015 0.000 0.202 533 D C 1.959 178.106 176.300 -0.254 0.000 0.975 533 D CA 0.967 54.854 54.000 -0.187 0.000 0.839 533 D CB -0.279 40.412 40.800 -0.182 0.000 0.996 533 D HN -0.117 nan 8.370 nan 0.000 0.464 534 V N 1.559 121.201 119.914 -0.454 0.000 2.317 534 V HA -0.298 3.813 4.120 -0.015 0.000 0.251 534 V C 2.410 178.413 176.094 -0.152 0.000 1.065 534 V CA 2.104 64.196 62.300 -0.346 0.000 1.049 534 V CB -0.773 30.781 31.823 -0.449 0.000 0.651 534 V HN 0.221 nan 8.190 nan 0.000 0.450 535 A N -1.141 121.614 122.820 -0.110 0.000 2.066 535 A HA -0.129 4.182 4.320 -0.015 0.000 0.218 535 A C 2.269 179.826 177.584 -0.045 0.000 1.157 535 A CA 1.353 53.362 52.037 -0.047 0.000 0.670 535 A CB -0.286 18.692 19.000 -0.037 0.000 0.804 535 A HN 0.560 nan 8.150 nan 0.000 0.453 536 K N -0.480 119.886 120.400 -0.057 0.000 2.031 536 K HA -0.021 4.290 4.320 -0.015 0.000 0.205 536 K C 1.874 178.457 176.600 -0.029 0.000 1.049 536 K CA 1.210 57.473 56.287 -0.040 0.000 0.939 536 K CB -0.381 32.097 32.500 -0.037 0.000 0.717 536 K HN 0.235 nan 8.250 nan 0.000 0.438 537 V N 2.135 122.028 119.914 -0.035 0.000 2.282 537 V HA -0.311 3.800 4.120 -0.015 0.000 0.249 537 V C 2.355 178.446 176.094 -0.006 0.000 1.057 537 V CA 1.929 64.218 62.300 -0.019 0.000 1.032 537 V CB -0.389 31.414 31.823 -0.033 0.000 0.645 537 V HN 0.271 nan 8.190 nan 0.000 0.447 538 K N 0.282 120.677 120.400 -0.009 0.000 2.057 538 K HA -0.203 4.109 4.320 -0.015 0.000 0.207 538 K C 2.258 178.843 176.600 -0.025 0.000 1.049 538 K CA 1.819 58.107 56.287 0.001 0.000 0.931 538 K CB -0.587 31.927 32.500 0.023 0.000 0.714 538 K HN 0.571 nan 8.250 nan 0.000 0.440 539 Q N 0.752 120.530 119.800 -0.036 0.000 2.050 539 Q HA -0.212 4.119 4.340 -0.015 0.000 0.202 539 Q C 1.643 177.631 176.000 -0.020 0.000 0.980 539 Q CA 1.863 57.635 55.803 -0.051 0.000 0.840 539 Q CB -0.141 28.570 28.738 -0.044 0.000 0.898 539 Q HN 0.508 nan 8.270 nan 0.000 0.424 540 E N 0.400 120.601 120.200 0.002 0.000 2.038 540 E HA -0.181 4.160 4.350 -0.015 0.000 0.195 540 E C 1.928 178.559 176.600 0.051 0.000 1.000 540 E CA 1.394 57.810 56.400 0.026 0.000 0.803 540 E CB -0.095 29.618 29.700 0.022 0.000 0.750 540 E HN 0.430 nan 8.360 nan 0.000 0.448 541 N N 0.801 119.530 118.700 0.048 0.000 2.205 541 N HA -0.141 4.590 4.740 -0.015 0.000 0.186 541 N C 1.418 177.005 175.510 0.128 0.000 1.015 541 N CA 1.048 54.146 53.050 0.079 0.000 0.862 541 N CB -0.061 38.459 38.487 0.056 0.000 0.986 541 N HN 0.115 nan 8.380 nan 0.000 0.429 542 K N -0.328 120.112 120.400 0.067 0.000 2.103 542 K HA 0.023 4.334 4.320 -0.015 0.000 0.204 542 K C 1.543 178.281 176.600 0.230 0.000 1.052 542 K CA 0.392 56.731 56.287 0.087 0.000 0.945 542 K CB -0.069 32.216 32.500 -0.359 0.000 0.722 542 K HN 0.008 nan 8.250 nan 0.000 0.443 543 L N 1.596 122.895 121.223 0.126 0.000 2.056 543 L HA -0.123 4.208 4.340 -0.015 0.000 0.207 543 L C 2.033 179.003 176.870 0.166 0.000 1.078 543 L CA 1.783 56.701 54.840 0.130 0.000 0.749 543 L CB -0.433 41.669 42.059 0.072 0.000 0.901 543 L HN -0.071 nan 8.230 nan 0.000 0.433 544 K N -1.114 119.387 120.400 0.168 0.000 1.985 544 K HA -0.216 4.096 4.320 -0.015 0.000 0.210 544 K C 2.082 178.831 176.600 0.248 0.000 1.047 544 K CA 1.807 58.198 56.287 0.173 0.000 0.932 544 K CB -0.777 31.817 32.500 0.156 0.000 0.716 544 K HN 0.170 nan 8.250 nan 0.000 0.439 545 F N 0.751 120.798 119.950 0.162 0.000 2.161 545 F HA -0.159 4.359 4.527 -0.015 0.000 0.300 545 F C 1.840 177.786 175.800 0.244 0.000 1.089 545 F CA 1.440 59.553 58.000 0.189 0.000 1.282 545 F CB -0.484 38.617 39.000 0.169 0.000 1.010 545 F HN 0.099 nan 8.300 nan 0.000 0.485 546 A N 0.340 123.348 122.820 0.313 0.000 1.908 546 A HA -0.105 4.206 4.320 -0.015 0.000 0.218 546 A C 2.445 180.085 177.584 0.092 0.000 1.181 546 A CA 1.908 54.061 52.037 0.194 0.000 0.627 546 A CB -1.574 17.593 19.000 0.278 0.000 0.818 546 A HN 0.495 nan 8.150 nan 0.000 0.445 547 A N -0.840 122.047 122.820 0.112 0.000 1.834 547 A HA -0.187 4.124 4.320 -0.015 0.000 0.216 547 A C 2.127 179.737 177.584 0.043 0.000 1.203 547 A CA 1.895 53.978 52.037 0.077 0.000 0.621 547 A CB -1.335 17.718 19.000 0.089 0.000 0.841 547 A HN 1.013 nan 8.150 nan 0.000 0.446 548 Y N 0.021 120.283 120.300 -0.064 0.000 2.173 548 Y HA -0.265 4.277 4.550 -0.014 0.000 0.282 548 Y C 1.882 177.694 175.900 -0.147 0.000 1.192 548 Y CA 1.977 60.014 58.100 -0.104 0.000 1.176 548 Y CB -0.469 37.927 38.460 -0.107 0.000 0.969 548 Y HN 0.201 nan 8.280 nan 0.000 0.519 549 L N 0.566 121.746 121.223 -0.072 0.000 1.994 549 L HA -0.166 4.165 4.340 -0.015 0.000 0.208 549 L C 2.254 179.062 176.870 -0.103 0.000 1.071 549 L CA 2.101 56.871 54.840 -0.116 0.000 0.745 549 L CB -0.986 40.966 42.059 -0.178 0.000 0.892 549 L HN 0.190 nan 8.230 nan 0.000 0.431 550 E N -0.949 119.214 120.200 -0.063 0.000 2.216 550 E HA -0.120 4.221 4.350 -0.015 0.000 0.192 550 E C 2.087 178.626 176.600 -0.101 0.000 0.988 550 E CA 0.738 57.112 56.400 -0.044 0.000 0.834 550 E CB -0.141 29.569 29.700 0.015 0.000 0.772 550 E HN 0.517 nan 8.360 nan 0.000 0.479 551 R N 1.101 121.519 120.500 -0.137 0.000 2.082 551 R HA -0.038 4.293 4.340 -0.015 0.000 0.228 551 R C 1.832 177.942 176.300 -0.318 0.000 1.140 551 R CA 1.473 57.469 56.100 -0.173 0.000 0.920 551 R CB -0.769 29.447 30.300 -0.140 0.000 0.828 551 R HN -0.048 nan 8.270 nan 0.000 0.430 552 E N -0.275 119.571 120.200 -0.590 0.000 2.204 552 E HA -0.071 4.270 4.350 -0.015 0.000 0.194 552 E C 0.411 176.437 176.600 -0.958 0.000 0.989 552 E CA 1.193 57.054 56.400 -0.899 0.000 0.824 552 E CB -0.003 28.764 29.700 -1.555 0.000 0.756 552 E HN 0.443 nan 8.360 nan 0.000 0.477 553 Y N -0.828 119.320 120.300 -0.254 0.000 3.197 553 Y HA 0.496 5.037 4.550 -0.015 0.000 0.255 553 Y C 0.075 175.921 175.900 -0.090 0.000 2.243 553 Y CA -0.932 57.089 58.100 -0.132 0.000 0.879 553 Y CB 0.974 39.370 38.460 -0.107 0.000 1.599 553 Y HN -0.398 nan 8.280 nan 0.000 0.518 554 K N -0.705 119.772 120.400 0.128 0.000 2.653 554 K HA 0.476 4.787 4.320 -0.015 0.000 0.274 554 K C -1.063 175.581 176.600 0.074 0.000 0.974 554 K CA 0.078 56.408 56.287 0.072 0.000 0.868 554 K CB 2.772 35.305 32.500 0.055 0.000 1.408 554 K HN 0.341 nan 8.250 nan 0.000 0.397 555 V N 0.765 120.729 119.914 0.084 0.000 4.084 555 V HA 0.011 4.122 4.120 -0.015 0.000 0.193 555 V C -1.656 174.529 176.094 0.152 0.000 1.554 555 V CA 1.247 63.600 62.300 0.089 0.000 0.840 555 V CB -0.073 31.764 31.823 0.025 0.000 0.918 555 V HN 1.066 nan 8.190 nan 0.000 0.548 556 H N 2.533 121.617 119.070 0.022 0.000 3.779 556 H HA -0.114 4.433 4.556 -0.015 0.000 0.326 556 H C -0.654 174.692 175.328 0.030 0.000 0.891 556 H CA 0.859 56.923 56.048 0.027 0.000 0.974 556 H CB -1.201 28.581 29.762 0.032 0.000 1.425 556 H HN 0.975 nan 8.280 nan 0.000 0.346 557 I N 1.630 122.045 120.570 -0.258 0.000 3.078 557 I HA 0.458 4.619 4.170 -0.015 0.000 0.318 557 I C 0.156 176.117 176.117 -0.260 0.000 1.016 557 I CA -0.763 60.377 61.300 -0.267 0.000 1.130 557 I CB 1.391 39.335 38.000 -0.094 0.000 1.397 557 I HN 0.533 nan 8.210 nan 0.000 0.570 558 N N 3.247 121.900 118.700 -0.079 0.000 2.518 558 N HA 0.407 5.138 4.740 -0.015 0.000 0.254 558 N C -1.835 173.767 175.510 0.154 0.000 0.979 558 N CA -2.598 50.464 53.050 0.020 0.000 0.930 558 N CB 1.234 39.720 38.487 -0.002 0.000 1.152 558 N HN 0.372 nan 8.380 nan 0.000 0.505 559 P HA -0.132 nan 4.420 nan 0.000 0.223 559 P C -0.229 177.022 177.300 -0.081 0.000 1.140 559 P CA 1.025 64.149 63.100 0.040 0.000 0.783 559 P CB 0.281 32.012 31.700 0.051 0.000 0.759 560 N N -0.483 118.215 118.700 -0.003 0.000 2.370 560 N HA -0.007 4.724 4.740 -0.015 0.000 0.198 560 N C 0.500 176.035 175.510 0.042 0.000 1.156 560 N CA -0.003 53.046 53.050 -0.002 0.000 0.839 560 N CB -0.140 38.360 38.487 0.021 0.000 0.989 560 N HN 0.270 nan 8.380 nan 0.000 0.468 561 S N -0.561 115.164 115.700 0.042 0.000 2.707 561 S HA 0.353 4.814 4.470 -0.015 0.000 0.276 561 S C 0.027 174.586 174.600 -0.068 0.000 1.179 561 S CA -1.010 57.217 58.200 0.045 0.000 0.992 561 S CB 1.170 64.427 63.200 0.095 0.000 1.030 561 S HN 0.180 nan 8.310 nan 0.000 0.554 562 L N 1.475 122.507 121.223 -0.318 0.000 2.331 562 L HA 0.424 4.755 4.340 -0.015 0.000 0.278 562 L C -1.338 175.441 176.870 -0.151 0.000 1.106 562 L CA -0.610 53.786 54.840 -0.740 0.000 0.824 562 L CB 0.053 41.421 42.059 -1.151 0.000 1.142 562 L HN 0.595 nan 8.230 nan 0.000 0.443 563 F N 3.484 123.267 119.950 -0.278 0.000 2.361 563 F HA 0.266 4.785 4.527 -0.014 0.000 0.364 563 F C 0.141 175.840 175.800 -0.169 0.000 1.120 563 F CA -1.183 56.727 58.000 -0.150 0.000 1.102 563 F CB 0.864 39.824 39.000 -0.066 0.000 1.183 563 F HN 0.401 nan 8.300 nan 0.000 0.476 564 D N 3.649 124.027 120.400 -0.037 0.000 2.392 564 D HA 0.373 5.004 4.640 -0.015 0.000 0.228 564 D C -1.225 174.995 176.300 -0.132 0.000 1.074 564 D CA -0.054 53.874 54.000 -0.120 0.000 0.838 564 D CB 1.415 42.132 40.800 -0.138 0.000 1.067 564 D HN 0.317 nan 8.370 nan 0.000 0.511 565 V N 3.416 123.230 119.914 -0.167 0.000 2.638 565 V HA 0.530 4.641 4.120 -0.015 0.000 0.306 565 V C -1.585 174.350 176.094 -0.265 0.000 1.052 565 V CA -0.643 61.551 62.300 -0.177 0.000 0.885 565 V CB 1.890 33.668 31.823 -0.076 0.000 0.999 565 V HN 0.534 nan 8.190 nan 0.000 0.424 566 Q N 4.476 124.143 119.800 -0.222 0.000 2.339 566 Q HA 0.711 5.042 4.340 -0.015 0.000 0.268 566 Q C -1.395 174.440 176.000 -0.275 0.000 1.027 566 Q CA -0.646 55.017 55.803 -0.234 0.000 0.759 566 Q CB 1.880 30.498 28.738 -0.199 0.000 1.244 566 Q HN 1.107 nan 8.270 nan 0.000 0.464 567 V N 1.678 121.429 119.914 -0.271 0.000 2.482 567 V HA 0.845 4.956 4.120 -0.015 0.000 0.295 567 V C -1.068 174.732 176.094 -0.490 0.000 1.026 567 V CA -0.649 61.300 62.300 -0.585 0.000 0.856 567 V CB 1.208 32.560 31.823 -0.785 0.000 1.001 567 V HN 0.838 nan 8.190 nan 0.000 0.424 568 K N 2.498 122.625 120.400 -0.454 0.000 2.870 568 K HA 0.482 4.793 4.320 -0.015 0.000 0.290 568 K C -1.153 175.400 176.600 -0.077 0.000 1.070 568 K CA -1.209 54.999 56.287 -0.131 0.000 0.843 568 K CB 0.983 33.433 32.500 -0.083 0.000 1.475 568 K HN 0.422 nan 8.250 nan 0.000 0.359 569 R N 1.007 121.530 120.500 0.038 0.000 2.638 569 R HA 0.081 4.412 4.340 -0.015 0.000 0.268 569 R C 0.263 176.487 176.300 -0.126 0.000 1.006 569 R CA -0.132 55.960 56.100 -0.013 0.000 1.088 569 R CB -0.217 30.097 30.300 0.022 0.000 0.950 569 R HN 0.476 nan 8.270 nan 0.000 0.419 570 I N 5.045 125.512 120.570 -0.171 0.000 2.379 570 I HA 0.121 4.282 4.170 -0.015 0.000 0.290 570 I C 0.722 176.589 176.117 -0.418 0.000 1.063 570 I CA 0.367 61.534 61.300 -0.221 0.000 1.351 570 I CB -0.101 37.814 38.000 -0.141 0.000 1.410 570 I HN 0.268 nan 8.210 nan 0.000 0.505 571 H N 4.403 123.350 119.070 -0.204 0.000 2.895 571 H HA 0.289 4.836 4.556 -0.015 0.000 0.373 571 H C 0.570 175.741 175.328 -0.261 0.000 1.174 571 H CA -0.514 55.430 56.048 -0.173 0.000 1.144 571 H CB 2.039 31.608 29.762 -0.323 0.000 1.793 571 H HN 0.491 nan 8.280 nan 0.000 0.551 572 E N 1.099 121.320 120.200 0.036 0.000 2.051 572 E HA -0.220 4.122 4.350 -0.015 0.000 0.192 572 E C 1.420 177.699 176.600 -0.534 0.000 0.991 572 E CA 1.652 57.981 56.400 -0.119 0.000 0.799 572 E CB -0.111 29.669 29.700 0.134 0.000 0.748 572 E HN 0.606 nan 8.360 nan 0.000 0.449 573 Y N 0.962 120.652 120.300 -1.016 0.000 2.569 573 Y HA -0.019 4.522 4.550 -0.015 0.000 0.293 573 Y C 1.472 177.086 175.900 -0.478 0.000 1.144 573 Y CA 0.710 58.071 58.100 -1.232 0.000 1.321 573 Y CB -0.117 37.657 38.460 -1.142 0.000 0.982 573 Y HN -0.190 nan 8.280 nan 0.000 0.558 574 K N 0.750 120.621 120.400 -0.883 0.000 2.418 574 K HA 0.098 4.409 4.320 -0.015 0.000 0.195 574 K C 0.121 176.532 176.600 -0.315 0.000 1.035 574 K CA 0.236 56.172 56.287 -0.586 0.000 1.003 574 K CB 0.022 32.178 32.500 -0.573 0.000 0.793 574 K HN 0.207 nan 8.250 nan 0.000 0.494 575 R N 0.655 120.988 120.500 -0.280 0.000 3.205 575 R HA -0.230 4.101 4.340 -0.015 0.000 0.249 575 R C 0.229 176.428 176.300 -0.168 0.000 0.937 575 R CA 0.075 56.064 56.100 -0.185 0.000 0.641 575 R CB -1.507 28.700 30.300 -0.154 0.000 1.114 575 R HN 0.277 nan 8.270 nan 0.000 0.451 576 Q N 0.219 119.921 119.800 -0.163 0.000 2.224 576 Q HA 0.009 4.340 4.340 -0.015 0.000 0.203 576 Q C 1.996 177.933 176.000 -0.106 0.000 0.970 576 Q CA 1.198 56.921 55.803 -0.134 0.000 0.865 576 Q CB 0.113 28.776 28.738 -0.127 0.000 0.922 576 Q HN 0.583 nan 8.270 nan 0.000 0.445 577 L N -0.496 120.670 121.223 -0.095 0.000 2.201 577 L HA -0.155 4.176 4.340 -0.015 0.000 0.212 577 L C 1.867 178.724 176.870 -0.022 0.000 1.105 577 L CA 0.382 55.185 54.840 -0.061 0.000 0.775 577 L CB -0.193 41.845 42.059 -0.034 0.000 0.913 577 L HN 0.304 nan 8.230 nan 0.000 0.440 578 L N -0.029 121.159 121.223 -0.058 0.000 2.056 578 L HA -0.216 4.115 4.340 -0.015 0.000 0.207 578 L C 2.058 178.908 176.870 -0.033 0.000 1.078 578 L CA 1.850 56.645 54.840 -0.074 0.000 0.749 578 L CB -0.766 41.127 42.059 -0.276 0.000 0.901 578 L HN 0.287 nan 8.230 nan 0.000 0.433 579 N N -1.660 117.009 118.700 -0.052 0.000 2.166 579 N HA -0.224 4.507 4.740 -0.015 0.000 0.186 579 N C 1.918 177.495 175.510 0.110 0.000 1.019 579 N CA 1.385 54.502 53.050 0.113 0.000 0.856 579 N CB -0.093 38.412 38.487 0.030 0.000 0.993 579 N HN 0.470 nan 8.380 nan 0.000 0.426 580 C N 0.598 119.905 119.300 0.012 0.000 2.413 580 C HA -0.076 4.375 4.460 -0.015 0.000 0.277 580 C C 2.538 177.536 174.990 0.014 0.000 1.265 580 C CA 0.393 59.386 59.018 -0.042 0.000 1.752 580 C CB -1.217 26.447 27.740 -0.126 0.000 1.998 580 C HN 0.515 nan 8.230 nan 0.000 0.489 581 L N -0.671 120.622 121.223 0.116 0.000 2.109 581 L HA -0.131 4.200 4.340 -0.015 0.000 0.207 581 L C 2.717 179.758 176.870 0.284 0.000 1.086 581 L CA 1.522 56.482 54.840 0.201 0.000 0.760 581 L CB -1.188 41.054 42.059 0.304 0.000 0.910 581 L HN 0.558 nan 8.230 nan 0.000 0.437 582 H N 0.511 119.709 119.070 0.213 0.000 2.289 582 H HA -0.173 4.374 4.556 -0.015 0.000 0.296 582 H C 2.187 177.531 175.328 0.026 0.000 1.091 582 H CA 2.276 58.380 56.048 0.092 0.000 1.274 582 H CB 0.323 30.121 29.762 0.061 0.000 1.364 582 H HN 0.098 nan 8.280 nan 0.000 0.490 583 V N 1.367 121.238 119.914 -0.072 0.000 2.407 583 V HA -0.249 3.862 4.120 -0.015 0.000 0.248 583 V C 2.776 178.836 176.094 -0.055 0.000 1.055 583 V CA 1.750 63.967 62.300 -0.139 0.000 1.049 583 V CB -0.455 31.318 31.823 -0.082 0.000 0.662 583 V HN 0.395 nan 8.190 nan 0.000 0.455 584 I N -0.130 120.444 120.570 0.007 0.000 2.439 584 I HA -0.174 3.988 4.170 -0.015 0.000 0.251 584 I C 2.504 178.709 176.117 0.146 0.000 1.139 584 I CA 1.422 62.803 61.300 0.136 0.000 1.438 584 I CB -0.687 37.398 38.000 0.142 0.000 1.085 584 I HN 0.290 nan 8.210 nan 0.000 0.427 585 T N 1.360 115.953 114.554 0.065 0.000 2.684 585 T HA -0.172 4.169 4.350 -0.015 0.000 0.267 585 T C 1.884 176.550 174.700 -0.057 0.000 1.036 585 T CA 1.340 63.460 62.100 0.034 0.000 1.148 585 T CB -0.291 68.617 68.868 0.068 0.000 0.863 585 T HN 0.099 nan 8.240 nan 0.000 0.436 586 L N 0.072 121.189 121.223 -0.177 0.000 2.131 586 L HA 0.002 4.334 4.340 -0.015 0.000 0.210 586 L C 2.064 178.893 176.870 -0.069 0.000 1.092 586 L CA 1.433 56.158 54.840 -0.192 0.000 0.759 586 L CB -0.841 41.013 42.059 -0.342 0.000 0.903 586 L HN 0.362 nan 8.230 nan 0.000 0.435 587 Y N 0.073 120.319 120.300 -0.090 0.000 2.153 587 Y HA -0.180 4.361 4.550 -0.015 0.000 0.289 587 Y C 2.371 178.257 175.900 -0.023 0.000 1.127 587 Y CA 1.597 59.679 58.100 -0.031 0.000 1.131 587 Y CB -0.319 38.168 38.460 0.044 0.000 0.995 587 Y HN 0.220 nan 8.280 nan 0.000 0.505 588 N N 0.665 119.305 118.700 -0.100 0.000 2.272 588 N HA -0.156 4.575 4.740 -0.015 0.000 0.185 588 N C 1.848 177.250 175.510 -0.180 0.000 1.014 588 N CA 1.344 54.283 53.050 -0.184 0.000 0.870 588 N CB -0.304 38.156 38.487 -0.045 0.000 0.975 588 N HN 0.456 nan 8.380 nan 0.000 0.433 589 R N 0.531 120.949 120.500 -0.137 0.000 2.055 589 R HA 0.116 4.447 4.340 -0.015 0.000 0.228 589 R C 2.354 178.568 176.300 -0.144 0.000 1.143 589 R CA 0.796 56.825 56.100 -0.119 0.000 0.945 589 R CB -0.285 29.954 30.300 -0.102 0.000 0.841 589 R HN 0.156 nan 8.270 nan 0.000 0.429 590 I N 1.185 121.655 120.570 -0.167 0.000 2.118 590 I HA -0.334 3.827 4.170 -0.015 0.000 0.241 590 I C 1.972 177.969 176.117 -0.199 0.000 1.070 590 I CA 1.305 62.504 61.300 -0.168 0.000 1.327 590 I CB -0.325 37.578 38.000 -0.163 0.000 1.034 590 I HN 0.080 nan 8.210 nan 0.000 0.405 591 K N 0.732 120.948 120.400 -0.307 0.000 2.281 591 K HA -0.211 4.100 4.320 -0.015 0.000 0.203 591 K C 1.916 178.412 176.600 -0.173 0.000 1.046 591 K CA 1.187 57.310 56.287 -0.273 0.000 0.938 591 K CB -0.337 31.919 32.500 -0.406 0.000 0.737 591 K HN 0.203 nan 8.250 nan 0.000 0.458 592 K N 1.160 121.471 120.400 -0.149 0.000 2.166 592 K HA -0.005 4.307 4.320 -0.015 0.000 0.201 592 K C 0.160 176.713 176.600 -0.079 0.000 1.052 592 K CA 0.938 57.163 56.287 -0.104 0.000 0.969 592 K CB 0.457 32.901 32.500 -0.093 0.000 0.761 592 K HN -0.094 nan 8.250 nan 0.000 0.459 593 E N 0.673 120.826 120.200 -0.079 0.000 3.568 593 E HA 0.200 4.541 4.350 -0.015 0.000 0.213 593 E C -2.186 174.379 176.600 -0.059 0.000 1.197 593 E CA -1.746 54.620 56.400 -0.057 0.000 1.126 593 E CB 1.152 30.823 29.700 -0.048 0.000 1.285 593 E HN 0.114 nan 8.360 nan 0.000 0.418 594 P HA -0.056 nan 4.420 nan 0.000 0.234 594 P C 0.142 177.420 177.300 -0.036 0.000 1.167 594 P CA 0.672 63.735 63.100 -0.062 0.000 0.763 594 P CB 0.479 32.141 31.700 -0.063 0.000 0.835 595 N N 0.104 118.791 118.700 -0.021 0.000 2.203 595 N HA 0.050 4.781 4.740 -0.015 0.000 0.207 595 N C 0.448 175.968 175.510 0.017 0.000 1.130 595 N CA 0.100 53.150 53.050 -0.000 0.000 0.861 595 N CB 0.495 38.983 38.487 0.001 0.000 1.005 595 N HN 0.447 nan 8.380 nan 0.000 0.507 596 K N 0.012 120.417 120.400 0.009 0.000 2.118 596 K HA 0.232 4.543 4.320 -0.015 0.000 0.267 596 K C -0.255 176.380 176.600 0.058 0.000 0.991 596 K CA -0.721 55.590 56.287 0.041 0.000 0.916 596 K CB 1.142 33.655 32.500 0.022 0.000 1.041 596 K HN -0.190 nan 8.250 nan 0.000 0.455 597 F N 2.707 122.645 119.950 -0.020 0.000 2.471 597 F HA 0.300 4.818 4.527 -0.015 0.000 0.353 597 F C -0.554 175.233 175.800 -0.022 0.000 1.113 597 F CA -0.237 57.752 58.000 -0.018 0.000 1.262 597 F CB 1.082 40.073 39.000 -0.015 0.000 1.146 597 F HN 0.332 nan 8.300 nan 0.000 0.578 598 V N 7.499 126.746 119.914 -1.112 0.000 2.733 598 V HA 0.462 4.573 4.120 -0.015 0.000 0.306 598 V C -1.469 173.811 176.094 -1.356 0.000 1.084 598 V CA -0.763 61.017 62.300 -0.866 0.000 0.905 598 V CB 1.802 33.369 31.823 -0.426 0.000 1.010 598 V HN 0.697 nan 8.190 nan 0.000 0.424 599 V N 9.960 129.353 119.914 -0.868 0.000 2.485 599 V HA 0.296 4.407 4.120 -0.015 0.000 0.287 599 V C -1.708 174.225 176.094 -0.270 0.000 1.022 599 V CA -0.614 61.453 62.300 -0.388 0.000 1.067 599 V CB 1.177 32.981 31.823 -0.032 0.000 0.967 599 V HN 0.909 nan 8.190 nan 0.000 0.479 600 P HA 0.439 nan 4.420 nan 0.000 0.278 600 P C -1.048 176.182 177.300 -0.117 0.000 1.238 600 P CA -0.571 62.452 63.100 -0.129 0.000 0.794 600 P CB 0.892 32.554 31.700 -0.063 0.000 0.955 601 R N -0.273 120.161 120.500 -0.110 0.000 2.604 601 R HA 0.594 4.925 4.340 -0.015 0.000 0.270 601 R C -1.385 174.876 176.300 -0.065 0.000 1.052 601 R CA -0.690 55.345 56.100 -0.108 0.000 0.902 601 R CB 0.487 30.684 30.300 -0.171 0.000 1.233 601 R HN 0.198 nan 8.270 nan 0.000 0.455 602 T N 2.157 116.700 114.554 -0.018 0.000 2.770 602 T HA 0.261 4.602 4.350 -0.015 0.000 0.297 602 T C -0.228 174.406 174.700 -0.110 0.000 0.997 602 T CA -0.491 61.568 62.100 -0.069 0.000 0.949 602 T CB 1.165 69.968 68.868 -0.109 0.000 0.941 602 T HN 0.313 nan 8.240 nan 0.000 0.457 603 V N 6.159 126.004 119.914 -0.116 0.000 2.406 603 V HA 0.428 4.539 4.120 -0.015 0.000 0.272 603 V C 0.093 176.107 176.094 -0.133 0.000 1.043 603 V CA -0.328 61.903 62.300 -0.115 0.000 0.915 603 V CB 0.682 32.450 31.823 -0.091 0.000 0.988 603 V HN 0.848 nan 8.190 nan 0.000 0.466 604 M N 6.787 126.298 119.600 -0.149 0.000 2.253 604 M HA 0.627 5.098 4.480 -0.015 0.000 0.314 604 M C -1.080 175.109 176.300 -0.186 0.000 1.019 604 M CA -0.207 54.997 55.300 -0.161 0.000 0.932 604 M CB 2.175 34.676 32.600 -0.165 0.000 1.606 604 M HN 0.405 nan 8.290 nan 0.000 0.430 605 I N 1.669 122.112 120.570 -0.211 0.000 2.498 605 I HA 0.871 5.032 4.170 -0.015 0.000 0.290 605 I C 0.040 175.797 176.117 -0.599 0.000 1.032 605 I CA -0.738 60.398 61.300 -0.274 0.000 1.073 605 I CB 2.342 40.271 38.000 -0.118 0.000 1.251 605 I HN 0.812 nan 8.210 nan 0.000 0.426 606 G N 2.848 111.218 108.800 -0.715 0.000 2.696 606 G HA2 0.819 4.770 3.960 -0.015 0.000 0.295 606 G HA3 0.819 4.770 3.960 -0.015 0.000 0.295 606 G C -1.018 173.482 174.900 -0.666 0.000 1.398 606 G CA -0.734 43.748 45.100 -1.030 0.000 0.920 606 G HN 1.012 nan 8.290 nan 0.000 0.492 607 G N -0.247 108.312 108.800 -0.402 0.000 2.358 607 G HA2 0.446 4.397 3.960 -0.015 0.000 0.303 607 G HA3 0.446 4.397 3.960 -0.015 0.000 0.303 607 G C -1.493 173.487 174.900 0.133 0.000 1.537 607 G CA -1.024 44.032 45.100 -0.073 0.000 0.928 607 G HN 0.606 nan 8.290 nan 0.000 0.656 608 K N -0.083 120.397 120.400 0.133 0.000 2.164 608 K HA 0.771 5.082 4.320 -0.015 0.000 0.258 608 K C 0.251 176.925 176.600 0.124 0.000 0.951 608 K CA -0.348 56.039 56.287 0.167 0.000 0.844 608 K CB 2.252 34.765 32.500 0.022 0.000 1.099 608 K HN 0.856 nan 8.250 nan 0.000 0.435 609 A N 1.374 124.310 122.820 0.194 0.000 2.282 609 A HA 0.704 5.015 4.320 -0.015 0.000 0.319 609 A C -0.500 177.249 177.584 0.275 0.000 1.121 609 A CA -0.648 51.457 52.037 0.114 0.000 0.836 609 A CB 0.951 19.973 19.000 0.037 0.000 1.146 609 A HN 0.769 nan 8.150 nan 0.000 0.494 610 A N 1.723 124.707 122.820 0.273 0.000 2.371 610 A HA 0.598 4.910 4.320 -0.015 0.000 0.257 610 A C -2.356 175.393 177.584 0.275 0.000 1.089 610 A CA -1.462 50.782 52.037 0.344 0.000 0.794 610 A CB -0.673 18.539 19.000 0.354 0.000 1.029 610 A HN 0.572 nan 8.150 nan 0.000 0.488 611 P HA 0.030 nan 4.420 nan 0.000 0.243 611 P C 0.955 178.323 177.300 0.113 0.000 1.107 611 P CA 2.494 65.625 63.100 0.051 0.000 0.848 611 P CB -0.198 31.490 31.700 -0.020 0.000 0.771 612 G N 2.583 111.462 108.800 0.132 0.000 2.141 612 G HA2 -0.294 3.657 3.960 -0.015 0.000 0.242 612 G HA3 -0.294 3.657 3.960 -0.015 0.000 0.242 612 G C -0.200 174.881 174.900 0.301 0.000 0.982 612 G CA -0.537 44.663 45.100 0.167 0.000 0.662 612 G HN 0.518 nan 8.290 nan 0.000 0.527 613 Y N 2.365 122.764 120.300 0.165 0.000 2.600 613 Y HA 0.406 4.947 4.550 -0.015 0.000 0.351 613 Y C 1.376 177.383 175.900 0.179 0.000 1.042 613 Y CA -0.785 57.428 58.100 0.189 0.000 1.333 613 Y CB -0.447 38.111 38.460 0.163 0.000 1.172 613 Y HN 0.427 nan 8.280 nan 0.000 0.517 614 H N 4.280 123.574 119.070 0.374 0.000 2.389 614 H HA -0.160 4.387 4.556 -0.015 0.000 0.299 614 H C 1.484 176.886 175.328 0.124 0.000 1.081 614 H CA 1.841 58.007 56.048 0.197 0.000 1.345 614 H CB 0.488 30.355 29.762 0.174 0.000 1.393 614 H HN 0.639 nan 8.280 nan 0.000 0.520 615 M N 1.084 120.710 119.600 0.044 0.000 2.099 615 M HA -0.011 4.460 4.480 -0.015 0.000 0.262 615 M C 2.610 178.716 176.300 -0.324 0.000 1.067 615 M CA 1.762 56.974 55.300 -0.147 0.000 1.124 615 M CB -0.774 31.876 32.600 0.084 0.000 1.353 615 M HN 0.306 nan 8.290 nan 0.000 0.410 616 A N -0.058 122.336 122.820 -0.710 0.000 1.892 616 A HA -0.254 4.057 4.320 -0.015 0.000 0.218 616 A C 2.244 179.652 177.584 -0.293 0.000 1.188 616 A CA 2.256 53.895 52.037 -0.663 0.000 0.631 616 A CB -0.795 17.532 19.000 -1.121 0.000 0.822 616 A HN 0.598 nan 8.150 nan 0.000 0.447 617 K N -1.443 118.859 120.400 -0.164 0.000 2.148 617 K HA -0.037 4.274 4.320 -0.015 0.000 0.204 617 K C 1.990 178.594 176.600 0.007 0.000 1.050 617 K CA 1.230 57.510 56.287 -0.011 0.000 0.942 617 K CB -0.179 32.387 32.500 0.111 0.000 0.724 617 K HN 0.347 nan 8.250 nan 0.000 0.446 618 M N 0.350 119.911 119.600 -0.065 0.000 2.254 618 M HA -0.065 4.406 4.480 -0.015 0.000 0.265 618 M C 2.036 178.282 176.300 -0.091 0.000 1.066 618 M CA 1.376 56.652 55.300 -0.040 0.000 1.123 618 M CB -0.472 32.032 32.600 -0.160 0.000 1.388 618 M HN 0.128 nan 8.290 nan 0.000 0.425 619 I N -0.279 120.197 120.570 -0.156 0.000 2.315 619 I HA -0.273 3.888 4.170 -0.015 0.000 0.248 619 I C 2.228 178.216 176.117 -0.215 0.000 1.117 619 I CA 0.851 62.043 61.300 -0.180 0.000 1.404 619 I CB -0.214 37.682 38.000 -0.173 0.000 1.071 619 I HN 0.158 nan 8.210 nan 0.000 0.419 620 I N 0.667 121.092 120.570 -0.243 0.000 2.208 620 I HA -0.314 3.847 4.170 -0.015 0.000 0.245 620 I C 2.556 178.388 176.117 -0.475 0.000 1.097 620 I CA 1.215 62.251 61.300 -0.441 0.000 1.363 620 I CB -0.322 37.387 38.000 -0.486 0.000 1.051 620 I HN 0.161 nan 8.210 nan 0.000 0.413 621 K N 1.515 121.668 120.400 -0.412 0.000 2.097 621 K HA -0.138 4.174 4.320 -0.015 0.000 0.206 621 K C 1.980 178.436 176.600 -0.239 0.000 1.049 621 K CA 1.457 57.442 56.287 -0.503 0.000 0.933 621 K CB -0.489 31.563 32.500 -0.747 0.000 0.717 621 K HN 0.234 nan 8.250 nan 0.000 0.442 622 L N 0.142 121.212 121.223 -0.255 0.000 2.017 622 L HA -0.181 4.150 4.340 -0.015 0.000 0.208 622 L C 2.217 178.825 176.870 -0.437 0.000 1.073 622 L CA 1.489 55.997 54.840 -0.554 0.000 0.745 622 L CB -0.279 41.401 42.059 -0.633 0.000 0.894 622 L HN 0.221 nan 8.230 nan 0.000 0.432 623 I N -0.492 119.883 120.570 -0.324 0.000 2.163 623 I HA -0.343 3.818 4.170 -0.015 0.000 0.243 623 I C 2.586 178.570 176.117 -0.221 0.000 1.085 623 I CA 2.065 63.228 61.300 -0.229 0.000 1.347 623 I CB -0.635 37.319 38.000 -0.078 0.000 1.044 623 I HN 0.440 nan 8.210 nan 0.000 0.408 624 T N -1.294 113.101 114.554 -0.265 0.000 2.985 624 T HA 0.089 4.430 4.350 -0.015 0.000 0.266 624 T C 1.950 176.544 174.700 -0.178 0.000 1.076 624 T CA 0.684 62.656 62.100 -0.213 0.000 1.135 624 T CB -0.286 68.410 68.868 -0.286 0.000 0.890 624 T HN 0.317 nan 8.240 nan 0.000 0.480 625 A N 1.537 124.248 122.820 -0.181 0.000 1.930 625 A HA 0.175 4.486 4.320 -0.015 0.000 0.217 625 A C 2.324 179.825 177.584 -0.139 0.000 1.175 625 A CA 1.104 53.089 52.037 -0.086 0.000 0.627 625 A CB -0.776 18.272 19.000 0.080 0.000 0.815 625 A HN 0.578 nan 8.150 nan 0.000 0.443 626 I N -0.367 120.002 120.570 -0.335 0.000 2.202 626 I HA -0.177 3.984 4.170 -0.015 0.000 0.242 626 I C 2.720 178.709 176.117 -0.213 0.000 1.091 626 I CA 1.120 62.180 61.300 -0.400 0.000 1.368 626 I CB -0.636 37.060 38.000 -0.506 0.000 1.058 626 I HN 0.385 nan 8.210 nan 0.000 0.410 627 G N 0.378 109.071 108.800 -0.180 0.000 2.442 627 G HA2 -0.249 3.702 3.960 -0.015 0.000 0.219 627 G HA3 -0.249 3.702 3.960 -0.015 0.000 0.219 627 G C 1.289 176.115 174.900 -0.123 0.000 1.141 627 G CA 0.901 45.915 45.100 -0.144 0.000 0.763 627 G HN 0.290 nan 8.290 nan 0.000 0.554 628 D N -0.025 120.339 120.400 -0.059 0.000 2.178 628 D HA -0.072 4.560 4.640 -0.015 0.000 0.201 628 D C 2.630 178.956 176.300 0.043 0.000 0.980 628 D CA 0.587 54.613 54.000 0.043 0.000 0.842 628 D CB -0.044 40.783 40.800 0.045 0.000 0.948 628 D HN 0.235 nan 8.370 nan 0.000 0.472 629 V N 0.209 120.094 119.914 -0.048 0.000 2.283 629 V HA -0.152 3.959 4.120 -0.015 0.000 0.239 629 V C 2.619 178.617 176.094 -0.161 0.000 1.035 629 V CA 0.713 62.955 62.300 -0.098 0.000 1.018 629 V CB -0.255 31.511 31.823 -0.095 0.000 0.658 629 V HN -0.011 nan 8.190 nan 0.000 0.459 630 V N 1.123 120.879 119.914 -0.263 0.000 2.252 630 V HA -0.294 3.817 4.120 -0.015 0.000 0.249 630 V C 2.123 178.119 176.094 -0.164 0.000 1.056 630 V CA 2.377 64.543 62.300 -0.223 0.000 1.022 630 V CB -0.911 30.787 31.823 -0.208 0.000 0.641 630 V HN 0.606 nan 8.190 nan 0.000 0.445 631 N N -0.454 118.056 118.700 -0.315 0.000 2.609 631 N HA -0.096 4.635 4.740 -0.015 0.000 0.190 631 N C 0.809 175.849 175.510 -0.784 0.000 1.157 631 N CA 0.861 53.613 53.050 -0.497 0.000 0.918 631 N CB -0.310 37.828 38.487 -0.581 0.000 0.978 631 N HN 0.730 nan 8.380 nan 0.000 0.448 632 H N -1.561 117.524 119.070 0.025 0.000 2.575 632 H HA 0.217 4.764 4.556 -0.015 0.000 0.256 632 H C -0.772 174.592 175.328 0.061 0.000 1.162 632 H CA -0.584 55.486 56.048 0.036 0.000 0.969 632 H CB 0.509 30.281 29.762 0.017 0.000 1.796 632 H HN -0.069 nan 8.280 nan 0.000 0.607 633 D N 2.321 122.784 120.400 0.105 0.000 2.313 633 D HA 0.052 4.683 4.640 -0.015 0.000 0.239 633 D C -1.391 174.972 176.300 0.105 0.000 1.142 633 D CA -2.302 51.789 54.000 0.151 0.000 0.847 633 D CB 1.844 42.802 40.800 0.264 0.000 1.082 633 D HN 0.163 nan 8.370 nan 0.000 0.480 634 P HA -0.077 nan 4.420 nan 0.000 0.225 634 P C 1.379 178.708 177.300 0.049 0.000 1.156 634 P CA 0.255 63.395 63.100 0.067 0.000 0.787 634 P CB 0.636 32.372 31.700 0.059 0.000 0.802 635 V N -0.013 119.927 119.914 0.044 0.000 2.548 635 V HA -0.123 3.988 4.120 -0.015 0.000 0.249 635 V C 2.743 178.843 176.094 0.010 0.000 1.055 635 V CA 1.278 63.588 62.300 0.016 0.000 1.065 635 V CB -0.779 31.043 31.823 -0.002 0.000 0.681 635 V HN -0.048 nan 8.190 nan 0.000 0.462 636 V N -0.179 119.756 119.914 0.034 0.000 2.488 636 V HA 0.159 4.270 4.120 -0.015 0.000 0.246 636 V C 1.819 177.927 176.094 0.022 0.000 1.046 636 V CA 1.384 63.702 62.300 0.030 0.000 1.053 636 V CB -1.042 30.842 31.823 0.102 0.000 0.679 636 V HN 0.701 nan 8.190 nan 0.000 0.458 637 G N 0.482 109.304 108.800 0.037 0.000 2.596 637 G HA2 -0.397 3.554 3.960 -0.015 0.000 0.295 637 G HA3 -0.397 3.554 3.960 -0.015 0.000 0.295 637 G C 0.216 175.135 174.900 0.032 0.000 1.240 637 G CA 0.635 45.760 45.100 0.041 0.000 0.985 637 G HN 0.416 nan 8.290 nan 0.000 0.555 638 D N 0.624 121.045 120.400 0.035 0.000 2.325 638 D HA 0.312 4.943 4.640 -0.015 0.000 0.234 638 D C 2.359 178.653 176.300 -0.009 0.000 1.122 638 D CA 0.144 54.156 54.000 0.020 0.000 0.850 638 D CB 0.121 40.952 40.800 0.051 0.000 0.921 638 D HN 0.416 nan 8.370 nan 0.000 0.513 639 R N -0.661 119.827 120.500 -0.021 0.000 2.080 639 R HA 0.254 4.585 4.340 -0.015 0.000 0.222 639 R C 0.297 176.560 176.300 -0.061 0.000 1.107 639 R CA 0.617 56.684 56.100 -0.056 0.000 0.980 639 R CB 0.535 30.788 30.300 -0.078 0.000 0.879 639 R HN 0.090 nan 8.270 nan 0.000 0.439 640 L N 0.684 121.882 121.223 -0.042 0.000 2.410 640 L HA 0.481 4.812 4.340 -0.015 0.000 0.270 640 L C -1.093 175.745 176.870 -0.054 0.000 0.983 640 L CA -0.964 53.848 54.840 -0.047 0.000 0.822 640 L CB 2.286 44.330 42.059 -0.025 0.000 1.285 640 L HN -0.049 nan 8.230 nan 0.000 0.409 641 R N 2.243 122.698 120.500 -0.076 0.000 2.561 641 R HA 0.706 5.037 4.340 -0.015 0.000 0.297 641 R C -1.808 174.431 176.300 -0.102 0.000 0.969 641 R CA -0.391 55.651 56.100 -0.096 0.000 0.879 641 R CB 2.111 32.350 30.300 -0.101 0.000 1.178 641 R HN 0.309 nan 8.270 nan 0.000 0.445 642 V N 6.277 126.125 119.914 -0.110 0.000 2.444 642 V HA 0.520 4.631 4.120 -0.015 0.000 0.294 642 V C -0.582 175.459 176.094 -0.090 0.000 1.022 642 V CA -0.742 61.495 62.300 -0.104 0.000 0.850 642 V CB 1.656 33.410 31.823 -0.115 0.000 0.992 642 V HN 0.605 nan 8.190 nan 0.000 0.426 643 I N 4.878 125.400 120.570 -0.079 0.000 2.418 643 I HA 0.395 4.556 4.170 -0.015 0.000 0.287 643 I C -0.581 175.535 176.117 -0.001 0.000 1.008 643 I CA -0.552 60.715 61.300 -0.055 0.000 1.104 643 I CB 1.640 39.586 38.000 -0.089 0.000 1.264 643 I HN 0.552 nan 8.210 nan 0.000 0.438 644 F N 6.856 126.730 119.950 -0.127 0.000 2.404 644 F HA 0.371 4.889 4.527 -0.014 0.000 0.358 644 F C -0.023 175.702 175.800 -0.126 0.000 1.120 644 F CA -0.585 57.340 58.000 -0.125 0.000 1.144 644 F CB 0.877 39.804 39.000 -0.122 0.000 1.133 644 F HN 0.279 nan 8.300 nan 0.000 0.495 645 L N 6.463 127.401 121.223 -0.475 0.000 2.454 645 L HA 0.111 4.442 4.340 -0.015 0.000 0.284 645 L C 0.293 176.980 176.870 -0.306 0.000 1.139 645 L CA 0.439 55.072 54.840 -0.344 0.000 0.911 645 L CB -0.270 41.632 42.059 -0.262 0.000 1.262 645 L HN 0.567 nan 8.230 nan 0.000 0.453 646 E N 3.189 123.325 120.200 -0.106 0.000 2.417 646 E HA -0.100 4.241 4.350 -0.015 0.000 0.261 646 E C 0.492 177.156 176.600 0.106 0.000 1.000 646 E CA 0.042 56.483 56.400 0.068 0.000 0.919 646 E CB 0.152 29.842 29.700 -0.016 0.000 0.955 646 E HN 0.503 nan 8.360 nan 0.000 0.455 647 N N 3.028 121.842 118.700 0.190 0.000 2.671 647 N HA -0.282 4.449 4.740 -0.015 0.000 0.261 647 N C -1.548 174.062 175.510 0.168 0.000 1.053 647 N CA 0.498 53.662 53.050 0.189 0.000 0.732 647 N CB -1.310 37.300 38.487 0.205 0.000 0.887 647 N HN 0.454 nan 8.380 nan 0.000 0.546 648 Y N 1.930 122.244 120.300 0.024 0.000 2.496 648 Y HA 0.351 4.892 4.550 -0.015 0.000 0.334 648 Y C 0.917 176.837 175.900 0.033 0.000 1.080 648 Y CA 0.158 58.258 58.100 0.000 0.000 1.355 648 Y CB 0.364 38.780 38.460 -0.074 0.000 1.193 648 Y HN 0.370 nan 8.280 nan 0.000 0.523 649 R N 2.696 122.851 120.500 -0.575 0.000 2.844 649 R HA 0.486 4.817 4.340 -0.015 0.000 0.264 649 R C -0.114 175.886 176.300 -0.500 0.000 1.077 649 R CA -0.804 55.056 56.100 -0.401 0.000 0.953 649 R CB 0.443 30.695 30.300 -0.080 0.000 1.272 649 R HN 0.387 nan 8.270 nan 0.000 0.447 650 V N 1.036 120.723 119.914 -0.378 0.000 2.233 650 V HA -0.287 3.824 4.120 -0.015 0.000 0.247 650 V C 2.510 178.504 176.094 -0.166 0.000 1.050 650 V CA 2.856 64.985 62.300 -0.286 0.000 1.010 650 V CB -0.695 30.960 31.823 -0.279 0.000 0.637 650 V HN 0.979 nan 8.190 nan 0.000 0.444 651 S N -0.102 115.523 115.700 -0.126 0.000 2.419 651 S HA -0.182 4.279 4.470 -0.015 0.000 0.233 651 S C 1.892 176.456 174.600 -0.060 0.000 1.016 651 S CA 1.708 59.853 58.200 -0.091 0.000 0.974 651 S CB -0.493 62.676 63.200 -0.051 0.000 0.786 651 S HN 0.383 nan 8.310 nan 0.000 0.492 652 L N 1.742 122.935 121.223 -0.050 0.000 2.179 652 L HA 0.392 4.723 4.340 -0.015 0.000 0.208 652 L C 2.612 179.501 176.870 0.033 0.000 1.096 652 L CA 1.292 56.142 54.840 0.016 0.000 0.779 652 L CB -1.282 40.837 42.059 0.102 0.000 0.922 652 L HN 0.339 nan 8.230 nan 0.000 0.443 653 A N -0.664 122.141 122.820 -0.024 0.000 1.972 653 A HA -0.202 4.109 4.320 -0.015 0.000 0.219 653 A C 2.066 179.716 177.584 0.109 0.000 1.169 653 A CA 1.614 53.707 52.037 0.094 0.000 0.635 653 A CB -0.568 18.475 19.000 0.070 0.000 0.810 653 A HN 0.599 nan 8.150 nan 0.000 0.446 654 E N -0.689 119.566 120.200 0.093 0.000 2.401 654 E HA -0.169 4.172 4.350 -0.015 0.000 0.199 654 E C 1.628 178.209 176.600 -0.031 0.000 1.023 654 E CA 1.129 57.538 56.400 0.014 0.000 0.859 654 E CB 0.004 29.634 29.700 -0.117 0.000 0.780 654 E HN 0.495 nan 8.360 nan 0.000 0.523 655 K N -0.148 120.225 120.400 -0.045 0.000 2.225 655 K HA 0.037 4.349 4.320 -0.015 0.000 0.204 655 K C 1.840 178.325 176.600 -0.192 0.000 1.047 655 K CA 0.201 56.464 56.287 -0.040 0.000 0.970 655 K CB -0.363 32.114 32.500 -0.039 0.000 0.939 655 K HN -0.086 nan 8.250 nan 0.000 0.472 656 V N 1.100 120.779 119.914 -0.393 0.000 2.719 656 V HA -0.041 4.070 4.120 -0.015 0.000 0.252 656 V C 1.618 177.479 176.094 -0.388 0.000 1.065 656 V CA 1.164 62.981 62.300 -0.806 0.000 1.086 656 V CB -0.181 31.244 31.823 -0.663 0.000 0.700 656 V HN 0.266 nan 8.190 nan 0.000 0.467 657 I N 0.518 120.915 120.570 -0.289 0.000 2.286 657 I HA -0.083 4.079 4.170 -0.015 0.000 0.245 657 I C -0.198 175.822 176.117 -0.161 0.000 1.104 657 I CA 1.308 62.380 61.300 -0.379 0.000 1.397 657 I CB -1.366 36.316 38.000 -0.529 0.000 1.072 657 I HN 0.356 nan 8.210 nan 0.000 0.417 658 P HA -0.164 nan 4.420 nan 0.000 0.219 658 P C 0.956 178.259 177.300 0.005 0.000 1.146 658 P CA 1.389 64.477 63.100 -0.020 0.000 0.808 658 P CB 0.034 31.730 31.700 -0.007 0.000 0.779 659 A N -1.525 121.278 122.820 -0.028 0.000 2.275 659 A HA 0.488 4.799 4.320 -0.015 0.000 0.212 659 A C 1.090 178.774 177.584 0.167 0.000 1.201 659 A CA 0.066 52.143 52.037 0.066 0.000 0.843 659 A CB -0.645 18.412 19.000 0.095 0.000 0.873 659 A HN 0.191 nan 8.150 nan 0.000 0.492 660 A N -0.170 122.738 122.820 0.147 0.000 2.354 660 A HA 0.488 4.800 4.320 -0.015 0.000 0.269 660 A C 0.367 178.083 177.584 0.220 0.000 1.109 660 A CA -0.226 51.951 52.037 0.233 0.000 0.800 660 A CB 0.386 19.611 19.000 0.374 0.000 1.045 660 A HN 0.281 nan 8.150 nan 0.000 0.489 661 D N 0.529 121.046 120.400 0.195 0.000 2.369 661 D HA 0.113 4.745 4.640 -0.015 0.000 0.231 661 D C 0.105 176.605 176.300 0.334 0.000 0.967 661 D CA 0.720 54.891 54.000 0.283 0.000 0.905 661 D CB 0.254 41.076 40.800 0.036 0.000 1.044 661 D HN 0.364 nan 8.370 nan 0.000 0.487 662 L N 1.052 122.330 121.223 0.092 0.000 2.341 662 L HA 0.306 4.637 4.340 -0.015 0.000 0.278 662 L C -0.819 175.877 176.870 -0.289 0.000 1.005 662 L CA -0.262 54.538 54.840 -0.066 0.000 0.818 662 L CB 2.094 44.076 42.059 -0.129 0.000 1.259 662 L HN -0.183 nan 8.230 nan 0.000 0.418 663 S N 4.312 119.750 115.700 -0.435 0.000 2.520 663 S HA 0.307 4.768 4.470 -0.015 0.000 0.324 663 S C -0.379 173.921 174.600 -0.501 0.000 1.069 663 S CA -0.736 57.000 58.200 -0.774 0.000 1.121 663 S CB 0.429 63.084 63.200 -0.909 0.000 0.971 663 S HN 0.544 nan 8.310 nan 0.000 0.463 664 E N 3.330 123.285 120.200 -0.409 0.000 2.290 664 E HA 0.188 4.529 4.350 -0.015 0.000 0.277 664 E C -0.504 175.973 176.600 -0.205 0.000 1.035 664 E CA -0.215 56.047 56.400 -0.229 0.000 0.873 664 E CB 0.982 30.583 29.700 -0.165 0.000 1.029 664 E HN 0.507 nan 8.360 nan 0.000 0.419 665 Q N 2.527 122.264 119.800 -0.106 0.000 3.394 665 Q HA 0.265 4.596 4.340 -0.015 0.000 0.285 665 Q C -0.261 175.734 176.000 -0.009 0.000 0.866 665 Q CA -0.102 55.660 55.803 -0.069 0.000 0.844 665 Q CB 0.410 29.110 28.738 -0.063 0.000 1.472 665 Q HN 0.436 nan 8.270 nan 0.000 0.401 666 I N -0.318 120.233 120.570 -0.032 0.000 3.816 666 I HA 0.215 4.376 4.170 -0.015 0.000 0.334 666 I C 0.104 176.183 176.117 -0.064 0.000 1.551 666 I CA -0.248 61.047 61.300 -0.008 0.000 1.153 666 I CB -0.445 37.529 38.000 -0.042 0.000 1.197 666 I HN 0.042 nan 8.210 nan 0.000 0.439 667 S N 1.762 117.423 115.700 -0.064 0.000 2.558 667 S HA 0.029 4.490 4.470 -0.015 0.000 0.287 667 S C 0.861 175.451 174.600 -0.016 0.000 1.321 667 S CA 0.205 58.382 58.200 -0.038 0.000 1.048 667 S CB 0.186 63.420 63.200 0.056 0.000 0.844 667 S HN 0.408 nan 8.310 nan 0.000 0.512 668 T N 2.934 117.508 114.554 0.032 0.000 2.902 668 T HA 0.339 4.680 4.350 -0.015 0.000 0.301 668 T C 0.677 175.395 174.700 0.031 0.000 1.012 668 T CA -0.255 61.870 62.100 0.042 0.000 1.151 668 T CB 0.262 69.219 68.868 0.149 0.000 0.946 668 T HN 0.795 nan 8.240 nan 0.000 0.542 669 A N 2.496 125.300 122.820 -0.027 0.000 2.584 669 A HA 0.441 4.752 4.320 -0.015 0.000 0.239 669 A C 1.679 179.260 177.584 -0.006 0.000 1.043 669 A CA 0.327 52.346 52.037 -0.030 0.000 0.756 669 A CB -0.940 18.026 19.000 -0.057 0.000 0.963 669 A HN 1.782 nan 8.150 nan 0.000 0.511 670 G N 1.229 110.025 108.800 -0.005 0.000 2.195 670 G HA2 -0.279 3.672 3.960 -0.015 0.000 0.246 670 G HA3 -0.279 3.672 3.960 -0.015 0.000 0.246 670 G C 1.049 175.942 174.900 -0.011 0.000 0.984 670 G CA 1.197 46.292 45.100 -0.008 0.000 0.633 670 G HN 1.970 nan 8.290 nan 0.000 0.525 671 T N -1.622 112.932 114.554 0.000 0.000 2.925 671 T HA 0.294 4.635 4.350 -0.015 0.000 0.245 671 T C 0.971 175.566 174.700 -0.174 0.000 1.025 671 T CA 1.248 63.292 62.100 -0.093 0.000 1.149 671 T CB 0.085 68.967 68.868 0.024 0.000 0.866 671 T HN 0.281 nan 8.240 nan 0.000 0.437 672 E N 1.925 122.127 120.200 0.003 0.000 2.161 672 E HA 0.497 4.838 4.350 -0.015 0.000 0.263 672 E C 1.109 177.677 176.600 -0.054 0.000 1.185 672 E CA 0.212 56.638 56.400 0.042 0.000 0.938 672 E CB 0.391 30.155 29.700 0.107 0.000 1.023 672 E HN 0.456 nan 8.360 nan 0.000 0.433 673 A N 3.373 126.094 122.820 -0.165 0.000 1.883 673 A HA -0.207 4.104 4.320 -0.015 0.000 0.217 673 A C 2.058 179.517 177.584 -0.210 0.000 1.186 673 A CA 2.139 53.966 52.037 -0.350 0.000 0.624 673 A CB -0.205 18.294 19.000 -0.836 0.000 0.822 673 A HN 0.595 nan 8.150 nan 0.000 0.444 674 S N -3.659 111.965 115.700 -0.127 0.000 3.624 674 S HA 0.452 4.913 4.470 -0.015 0.000 0.244 674 S C 0.784 175.372 174.600 -0.020 0.000 1.115 674 S CA 1.480 59.652 58.200 -0.048 0.000 0.820 674 S CB -0.122 63.060 63.200 -0.031 0.000 0.964 674 S HN 2.209 nan 8.310 nan 0.000 0.508 675 G N 0.269 109.063 108.800 -0.009 0.000 2.716 675 G HA2 -0.089 3.862 3.960 -0.015 0.000 0.686 675 G HA3 -0.089 3.862 3.960 -0.015 0.000 0.686 675 G C 0.236 175.126 174.900 -0.016 0.000 1.337 675 G CA 0.426 45.524 45.100 -0.003 0.000 0.829 675 G HN 1.242 nan 8.290 nan 0.000 0.599 676 T N -2.206 112.328 114.554 -0.034 0.000 3.074 676 T HA 0.374 4.715 4.350 -0.015 0.000 0.258 676 T C 2.403 177.021 174.700 -0.136 0.000 0.891 676 T CA 1.258 63.315 62.100 -0.072 0.000 0.867 676 T CB 0.112 68.935 68.868 -0.075 0.000 1.261 676 T HN 1.950 nan 8.240 nan 0.000 0.537 677 G N 3.523 112.265 108.800 -0.098 0.000 2.469 677 G HA2 -0.341 3.610 3.960 -0.015 0.000 0.219 677 G HA3 -0.341 3.610 3.960 -0.015 0.000 0.219 677 G C 1.515 176.463 174.900 0.080 0.000 1.150 677 G CA 1.615 46.679 45.100 -0.061 0.000 0.763 677 G HN 0.688 nan 8.290 nan 0.000 0.561 678 N N 1.176 119.908 118.700 0.053 0.000 2.036 678 N HA -0.176 4.555 4.740 -0.015 0.000 0.195 678 N C 2.070 177.584 175.510 0.007 0.000 1.037 678 N CA 2.044 55.121 53.050 0.045 0.000 0.855 678 N CB -0.838 37.632 38.487 -0.028 0.000 1.033 678 N HN 0.424 nan 8.380 nan 0.000 0.423 679 M N 0.249 119.797 119.600 -0.087 0.000 2.159 679 M HA -0.043 4.428 4.480 -0.015 0.000 0.263 679 M C 1.937 178.207 176.300 -0.049 0.000 1.063 679 M CA 1.565 56.809 55.300 -0.093 0.000 1.110 679 M CB -0.276 32.293 32.600 -0.053 0.000 1.374 679 M HN 0.143 nan 8.290 nan 0.000 0.411 680 K N -0.279 120.026 120.400 -0.157 0.000 2.097 680 K HA -0.080 4.231 4.320 -0.015 0.000 0.205 680 K C 1.705 178.215 176.600 -0.151 0.000 1.050 680 K CA 1.223 57.356 56.287 -0.256 0.000 0.938 680 K CB -0.197 31.914 32.500 -0.648 0.000 0.718 680 K HN 0.159 nan 8.250 nan 0.000 0.442 681 F N 1.099 120.987 119.950 -0.103 0.000 2.163 681 F HA -0.056 4.462 4.527 -0.015 0.000 0.297 681 F C 2.486 178.264 175.800 -0.037 0.000 1.094 681 F CA 1.090 59.048 58.000 -0.069 0.000 1.290 681 F CB -0.292 38.651 39.000 -0.095 0.000 1.017 681 F HN -0.045 nan 8.300 nan 0.000 0.483 682 M N -0.538 119.150 119.600 0.146 0.000 2.279 682 M HA -0.179 4.292 4.480 -0.015 0.000 0.264 682 M C 1.867 178.234 176.300 0.112 0.000 1.062 682 M CA 1.488 56.852 55.300 0.106 0.000 1.099 682 M CB -0.200 32.457 32.600 0.094 0.000 1.394 682 M HN 0.245 nan 8.290 nan 0.000 0.426 683 L N 0.062 121.349 121.223 0.106 0.000 2.156 683 L HA -0.140 4.191 4.340 -0.015 0.000 0.208 683 L C 1.374 178.304 176.870 0.100 0.000 1.095 683 L CA 0.911 55.821 54.840 0.116 0.000 0.770 683 L CB -0.418 41.716 42.059 0.125 0.000 0.914 683 L HN 0.393 nan 8.230 nan 0.000 0.439 684 N N -0.051 118.699 118.700 0.084 0.000 2.322 684 N HA 0.051 4.782 4.740 -0.015 0.000 0.194 684 N C 0.919 176.480 175.510 0.085 0.000 1.126 684 N CA 0.905 53.999 53.050 0.074 0.000 0.845 684 N CB 0.894 39.403 38.487 0.036 0.000 0.976 684 N HN 0.377 nan 8.380 nan 0.000 0.475 685 G N 0.250 109.104 108.800 0.090 0.000 2.164 685 G HA2 -0.150 3.801 3.960 -0.015 0.000 0.212 685 G HA3 -0.150 3.801 3.960 -0.015 0.000 0.212 685 G C -0.067 174.896 174.900 0.104 0.000 1.031 685 G CA 0.063 45.211 45.100 0.081 0.000 0.730 685 G HN 0.532 nan 8.290 nan 0.000 0.501 686 A N -0.481 122.405 122.820 0.110 0.000 2.320 686 A HA 0.911 5.222 4.320 -0.015 0.000 0.334 686 A C -0.051 177.494 177.584 -0.066 0.000 1.147 686 A CA -0.671 51.426 52.037 0.101 0.000 0.820 686 A CB 1.292 20.404 19.000 0.187 0.000 1.218 686 A HN 0.717 nan 8.150 nan 0.000 0.482 687 L N 0.514 121.621 121.223 -0.193 0.000 2.399 687 L HA 0.551 4.882 4.340 -0.015 0.000 0.265 687 L C 0.632 177.329 176.870 -0.289 0.000 1.089 687 L CA 0.430 55.085 54.840 -0.308 0.000 0.802 687 L CB 1.411 43.169 42.059 -0.501 0.000 1.180 687 L HN 0.736 nan 8.230 nan 0.000 0.454 688 T N 3.131 117.436 114.554 -0.416 0.000 2.797 688 T HA 0.546 4.887 4.350 -0.015 0.000 0.279 688 T C -0.273 174.241 174.700 -0.310 0.000 0.991 688 T CA -0.224 61.595 62.100 -0.468 0.000 0.979 688 T CB 1.130 69.516 68.868 -0.803 0.000 0.943 688 T HN 0.423 nan 8.240 nan 0.000 0.444 689 I N 2.421 122.870 120.570 -0.203 0.000 2.437 689 I HA 0.771 4.932 4.170 -0.015 0.000 0.298 689 I C 0.266 176.456 176.117 0.122 0.000 0.984 689 I CA 0.177 61.464 61.300 -0.021 0.000 1.214 689 I CB 0.829 38.736 38.000 -0.154 0.000 1.365 689 I HN 0.786 nan 8.210 nan 0.000 0.469 690 G N 3.624 112.631 108.800 0.345 0.000 2.488 690 G HA2 0.456 4.407 3.960 -0.015 0.000 0.301 690 G HA3 0.456 4.407 3.960 -0.015 0.000 0.301 690 G C -1.082 173.878 174.900 0.099 0.000 1.339 690 G CA -0.138 45.131 45.100 0.280 0.000 0.803 690 G HN 0.650 nan 8.290 nan 0.000 0.482 691 T N -2.004 112.467 114.554 -0.139 0.000 2.936 691 T HA 0.601 4.942 4.350 -0.015 0.000 0.282 691 T C 0.336 174.949 174.700 -0.145 0.000 1.003 691 T CA -0.772 61.109 62.100 -0.365 0.000 1.005 691 T CB 1.474 70.123 68.868 -0.365 0.000 1.097 691 T HN 0.266 nan 8.240 nan 0.000 0.532 692 M N 2.967 122.487 119.600 -0.134 0.000 3.011 692 M HA 0.422 4.893 4.480 -0.015 0.000 0.292 692 M C -0.583 175.680 176.300 -0.062 0.000 1.440 692 M CA -0.379 54.877 55.300 -0.074 0.000 1.552 692 M CB -1.553 31.004 32.600 -0.071 0.000 1.187 692 M HN 0.760 nan 8.290 nan 0.000 0.520 693 D N 0.094 120.468 120.400 -0.043 0.000 2.570 693 D HA 0.682 5.313 4.640 -0.015 0.000 0.244 693 D C 0.815 177.106 176.300 -0.016 0.000 1.178 693 D CA 0.654 54.637 54.000 -0.028 0.000 0.881 693 D CB 1.676 42.461 40.800 -0.025 0.000 1.453 693 D HN 0.568 nan 8.370 nan 0.000 0.447 694 G N 1.047 109.843 108.800 -0.006 0.000 2.672 694 G HA2 -0.287 3.664 3.960 -0.015 0.000 0.356 694 G HA3 -0.287 3.664 3.960 -0.015 0.000 0.356 694 G C 0.955 175.852 174.900 -0.006 0.000 1.312 694 G CA 1.614 46.712 45.100 -0.003 0.000 0.980 694 G HN 0.993 nan 8.290 nan 0.000 0.540 695 A N -0.188 122.623 122.820 -0.016 0.000 2.238 695 A HA 0.222 4.533 4.320 -0.015 0.000 0.208 695 A C 1.991 179.517 177.584 -0.097 0.000 1.177 695 A CA 1.444 53.464 52.037 -0.029 0.000 0.804 695 A CB -0.275 18.706 19.000 -0.032 0.000 0.823 695 A HN 0.514 nan 8.150 nan 0.000 0.482 696 N N 0.092 118.757 118.700 -0.059 0.000 2.331 696 N HA -0.087 4.644 4.740 -0.015 0.000 0.180 696 N C 1.508 176.955 175.510 -0.105 0.000 1.019 696 N CA 1.236 54.268 53.050 -0.031 0.000 0.881 696 N CB -0.255 38.269 38.487 0.062 0.000 0.972 696 N HN 0.281 nan 8.380 nan 0.000 0.435 697 V N 1.388 121.253 119.914 -0.081 0.000 2.427 697 V HA -0.149 3.962 4.120 -0.015 0.000 0.248 697 V C 1.952 177.982 176.094 -0.107 0.000 1.051 697 V CA 1.490 63.732 62.300 -0.096 0.000 1.048 697 V CB -0.335 31.456 31.823 -0.053 0.000 0.666 697 V HN 0.319 nan 8.190 nan 0.000 0.456 698 E N -0.541 119.632 120.200 -0.043 0.000 2.122 698 E HA -0.080 4.261 4.350 -0.015 0.000 0.190 698 E C 2.253 178.937 176.600 0.140 0.000 0.977 698 E CA 0.853 57.294 56.400 0.067 0.000 0.820 698 E CB -0.148 29.669 29.700 0.196 0.000 0.770 698 E HN 0.518 nan 8.360 nan 0.000 0.462 699 M N 0.859 120.419 119.600 -0.065 0.000 2.065 699 M HA -0.202 4.270 4.480 -0.015 0.000 0.259 699 M C 2.559 178.609 176.300 -0.416 0.000 1.069 699 M CA 1.808 56.970 55.300 -0.230 0.000 1.110 699 M CB -0.350 32.023 32.600 -0.378 0.000 1.328 699 M HN 0.130 nan 8.290 nan 0.000 0.405 700 A N -0.410 121.902 122.820 -0.847 0.000 1.930 700 A HA -0.198 4.113 4.320 -0.015 0.000 0.217 700 A C 1.995 179.337 177.584 -0.404 0.000 1.175 700 A CA 1.851 53.266 52.037 -1.036 0.000 0.627 700 A CB -0.770 17.659 19.000 -0.952 0.000 0.815 700 A HN 0.597 nan 8.150 nan 0.000 0.443 701 E N -0.586 119.469 120.200 -0.242 0.000 2.072 701 E HA -0.230 4.111 4.350 -0.015 0.000 0.191 701 E C 1.915 178.475 176.600 -0.067 0.000 0.985 701 E CA 1.364 57.693 56.400 -0.117 0.000 0.801 701 E CB -0.061 29.595 29.700 -0.073 0.000 0.750 701 E HN 0.533 nan 8.360 nan 0.000 0.452 702 E N 0.331 120.520 120.200 -0.018 0.000 2.028 702 E HA -0.055 4.286 4.350 -0.015 0.000 0.191 702 E C 1.746 178.358 176.600 0.020 0.000 0.988 702 E CA 1.384 57.805 56.400 0.036 0.000 0.799 702 E CB -0.311 29.489 29.700 0.166 0.000 0.755 702 E HN 0.331 nan 8.360 nan 0.000 0.447 703 A N -0.202 122.622 122.820 0.007 0.000 2.121 703 A HA 0.236 4.547 4.320 -0.015 0.000 0.218 703 A C 1.075 178.661 177.584 0.003 0.000 1.154 703 A CA 1.113 53.170 52.037 0.033 0.000 0.679 703 A CB -0.778 18.295 19.000 0.122 0.000 0.795 703 A HN 0.352 nan 8.150 nan 0.000 0.458 704 G N -0.576 108.193 108.800 -0.052 0.000 3.399 704 G HA2 -0.149 3.802 3.960 -0.015 0.000 0.685 704 G HA3 -0.149 3.802 3.960 -0.015 0.000 0.685 704 G C 0.195 175.058 174.900 -0.062 0.000 0.952 704 G CA 0.199 45.267 45.100 -0.054 0.000 0.793 704 G HN 0.294 nan 8.290 nan 0.000 0.492 705 E N 1.119 121.263 120.200 -0.094 0.000 2.276 705 E HA -0.371 3.970 4.350 -0.015 0.000 0.226 705 E C 2.249 178.826 176.600 -0.037 0.000 1.090 705 E CA 2.691 59.048 56.400 -0.072 0.000 0.930 705 E CB 0.094 29.755 29.700 -0.065 0.000 0.791 705 E HN 0.826 nan 8.360 nan 0.000 0.467 706 E N 0.466 120.634 120.200 -0.053 0.000 2.153 706 E HA -0.110 4.231 4.350 -0.015 0.000 0.194 706 E C 1.097 177.627 176.600 -0.117 0.000 0.988 706 E CA 0.784 57.134 56.400 -0.084 0.000 0.811 706 E CB -0.332 29.329 29.700 -0.065 0.000 0.746 706 E HN 0.216 nan 8.360 nan 0.000 0.466 707 N N -0.057 118.615 118.700 -0.047 0.000 2.410 707 N HA 0.137 4.868 4.740 -0.015 0.000 0.231 707 N C -0.970 174.555 175.510 0.025 0.000 1.172 707 N CA 0.217 53.242 53.050 -0.041 0.000 0.849 707 N CB -0.028 38.472 38.487 0.021 0.000 1.116 707 N HN 0.042 nan 8.380 nan 0.000 0.485 708 F N -0.840 118.905 119.950 -0.341 0.000 2.686 708 F HA 0.374 4.891 4.527 -0.016 0.000 0.311 708 F C -1.234 174.272 175.800 -0.490 0.000 1.128 708 F CA -1.122 56.722 58.000 -0.259 0.000 0.946 708 F CB 1.239 40.167 39.000 -0.119 0.000 1.336 708 F HN -0.230 nan 8.300 nan 0.000 0.457 709 F N 4.355 124.282 119.950 -0.038 0.000 2.449 709 F HA 0.428 4.946 4.527 -0.015 0.000 0.329 709 F C -0.692 175.220 175.800 0.187 0.000 1.245 709 F CA -0.708 57.316 58.000 0.040 0.000 1.193 709 F CB 0.142 39.101 39.000 -0.069 0.000 1.425 709 F HN -0.018 nan 8.300 nan 0.000 0.544 710 I N 1.542 122.307 120.570 0.325 0.000 2.472 710 I HA 0.586 4.747 4.170 -0.015 0.000 0.290 710 I C -0.186 176.103 176.117 0.286 0.000 1.016 710 I CA -1.319 60.151 61.300 0.284 0.000 1.348 710 I CB 0.030 38.129 38.000 0.166 0.000 1.417 710 I HN 0.254 nan 8.210 nan 0.000 0.521 711 F N 1.734 121.743 119.950 0.097 0.000 2.745 711 F HA 0.955 5.473 4.527 -0.015 0.000 0.316 711 F C 0.195 176.034 175.800 0.065 0.000 1.155 711 F CA -0.604 57.445 58.000 0.081 0.000 0.937 711 F CB 0.917 39.976 39.000 0.098 0.000 1.361 711 F HN 1.060 nan 8.300 nan 0.000 0.472 712 G N 0.865 109.630 108.800 -0.058 0.000 2.725 712 G HA2 -0.122 3.829 3.960 -0.015 0.000 0.220 712 G HA3 -0.122 3.829 3.960 -0.015 0.000 0.220 712 G C -0.838 173.976 174.900 -0.144 0.000 1.357 712 G CA -0.527 44.478 45.100 -0.158 0.000 0.866 712 G HN 0.967 nan 8.290 nan 0.000 0.548 713 M N 0.364 119.893 119.600 -0.118 0.000 2.252 713 M HA 0.316 4.788 4.480 -0.015 0.000 0.348 713 M C 1.006 177.249 176.300 -0.096 0.000 1.334 713 M CA 0.184 55.439 55.300 -0.074 0.000 1.071 713 M CB 0.479 33.044 32.600 -0.057 0.000 1.763 713 M HN 0.524 nan 8.290 nan 0.000 0.452 714 R N 1.424 121.887 120.500 -0.062 0.000 2.546 714 R HA 0.256 4.587 4.340 -0.015 0.000 0.266 714 R C 0.972 177.244 176.300 -0.048 0.000 1.086 714 R CA -0.462 55.602 56.100 -0.058 0.000 1.160 714 R CB 0.421 30.696 30.300 -0.041 0.000 1.138 714 R HN 0.587 nan 8.270 nan 0.000 0.567 715 V N 1.073 120.960 119.914 -0.044 0.000 2.469 715 V HA -0.235 3.877 4.120 -0.015 0.000 0.251 715 V C 1.717 177.792 176.094 -0.032 0.000 1.064 715 V CA 1.838 64.115 62.300 -0.038 0.000 1.066 715 V CB -0.600 31.200 31.823 -0.037 0.000 0.667 715 V HN 0.697 nan 8.190 nan 0.000 0.461 716 E N 0.423 120.606 120.200 -0.028 0.000 2.114 716 E HA -0.268 4.074 4.350 -0.015 0.000 0.199 716 E C 1.853 178.447 176.600 -0.011 0.000 1.008 716 E CA 1.790 58.179 56.400 -0.019 0.000 0.810 716 E CB -0.151 29.539 29.700 -0.016 0.000 0.739 716 E HN 0.684 nan 8.360 nan 0.000 0.456 717 D N -0.474 119.920 120.400 -0.010 0.000 2.249 717 D HA -0.059 4.572 4.640 -0.015 0.000 0.205 717 D C 2.010 178.312 176.300 0.003 0.000 0.962 717 D CA 0.381 54.384 54.000 0.005 0.000 0.860 717 D CB -0.092 40.714 40.800 0.011 0.000 0.955 717 D HN 0.052 nan 8.370 nan 0.000 0.505 718 V N 1.925 121.828 119.914 -0.019 0.000 2.295 718 V HA -0.232 3.879 4.120 -0.015 0.000 0.246 718 V C 1.866 177.948 176.094 -0.021 0.000 1.049 718 V CA 1.830 64.109 62.300 -0.035 0.000 1.024 718 V CB -0.435 31.358 31.823 -0.049 0.000 0.648 718 V HN 0.034 nan 8.190 nan 0.000 0.447 719 D N -0.127 120.263 120.400 -0.018 0.000 2.092 719 D HA -0.181 4.450 4.640 -0.015 0.000 0.193 719 D C 2.331 178.635 176.300 0.006 0.000 0.994 719 D CA 1.390 55.383 54.000 -0.011 0.000 0.828 719 D CB -0.368 40.424 40.800 -0.013 0.000 0.963 719 D HN 0.273 nan 8.370 nan 0.000 0.450 720 R N -0.268 120.240 120.500 0.013 0.000 2.105 720 R HA -0.136 4.195 4.340 -0.015 0.000 0.239 720 R C 2.190 178.517 176.300 0.044 0.000 1.135 720 R CA 0.707 56.822 56.100 0.026 0.000 0.967 720 R CB -0.356 29.961 30.300 0.028 0.000 0.861 720 R HN 0.123 nan 8.270 nan 0.000 0.442 721 L N 0.763 122.021 121.223 0.057 0.000 2.093 721 L HA -0.130 4.201 4.340 -0.015 0.000 0.208 721 L C 1.306 178.233 176.870 0.095 0.000 1.085 721 L CA 1.889 56.788 54.840 0.100 0.000 0.755 721 L CB -0.302 41.829 42.059 0.120 0.000 0.904 721 L HN 0.094 nan 8.230 nan 0.000 0.435 722 D N -0.988 119.443 120.400 0.053 0.000 2.183 722 D HA -0.155 4.476 4.640 -0.015 0.000 0.203 722 D C 2.112 178.435 176.300 0.039 0.000 0.969 722 D CA 0.962 54.988 54.000 0.043 0.000 0.842 722 D CB 0.106 40.909 40.800 0.005 0.000 0.957 722 D HN 0.544 nan 8.370 nan 0.000 0.484 723 Q N 0.359 120.178 119.800 0.031 0.000 2.046 723 Q HA -0.140 4.192 4.340 -0.015 0.000 0.200 723 Q C 2.245 178.265 176.000 0.033 0.000 0.975 723 Q CA 1.121 56.939 55.803 0.025 0.000 0.836 723 Q CB -0.169 28.581 28.738 0.020 0.000 0.896 723 Q HN 0.327 nan 8.270 nan 0.000 0.428 724 R N 0.278 120.805 120.500 0.044 0.000 2.148 724 R HA 0.078 4.409 4.340 -0.015 0.000 0.227 724 R C 0.501 176.832 176.300 0.052 0.000 1.103 724 R CA 0.905 57.032 56.100 0.046 0.000 0.983 724 R CB -0.278 30.054 30.300 0.053 0.000 0.874 724 R HN 0.136 nan 8.270 nan 0.000 0.451 725 G N 0.651 109.494 108.800 0.071 0.000 3.445 725 G HA2 -0.231 3.720 3.960 -0.015 0.000 0.686 725 G HA3 -0.231 3.720 3.960 -0.015 0.000 0.686 725 G C -1.274 173.695 174.900 0.114 0.000 1.113 725 G CA -0.400 44.745 45.100 0.075 0.000 0.974 725 G HN 0.332 nan 8.290 nan 0.000 0.492 726 Y N 3.766 124.082 120.300 0.027 0.000 2.496 726 Y HA 0.503 5.044 4.550 -0.015 0.000 0.334 726 Y C 0.315 176.254 175.900 0.064 0.000 1.080 726 Y CA -0.889 57.243 58.100 0.053 0.000 1.355 726 Y CB 0.854 39.319 38.460 0.008 0.000 1.193 726 Y HN 0.539 nan 8.280 nan 0.000 0.523 727 N N 5.208 123.682 118.700 -0.377 0.000 2.569 727 N HA 0.302 5.033 4.740 -0.015 0.000 0.254 727 N C 0.200 175.454 175.510 -0.426 0.000 1.004 727 N CA 0.351 53.177 53.050 -0.373 0.000 0.904 727 N CB 1.555 39.960 38.487 -0.136 0.000 1.165 727 N HN 0.894 nan 8.380 nan 0.000 0.513 728 A N 2.778 125.242 122.820 -0.594 0.000 1.972 728 A HA -0.173 4.138 4.320 -0.015 0.000 0.219 728 A C 1.952 179.659 177.584 0.204 0.000 1.169 728 A CA 1.152 53.086 52.037 -0.172 0.000 0.635 728 A CB -0.177 18.602 19.000 -0.368 0.000 0.810 728 A HN 0.647 nan 8.150 nan 0.000 0.446 729 Q N -0.033 119.789 119.800 0.036 0.000 2.077 729 Q HA -0.232 4.099 4.340 -0.015 0.000 0.206 729 Q C 1.924 178.018 176.000 0.157 0.000 0.989 729 Q CA 2.090 57.953 55.803 0.100 0.000 0.853 729 Q CB -0.523 28.225 28.738 0.017 0.000 0.907 729 Q HN 0.856 nan 8.270 nan 0.000 0.418 730 E N -1.151 119.068 120.200 0.031 0.000 2.114 730 E HA -0.238 4.103 4.350 -0.015 0.000 0.199 730 E C 1.636 178.140 176.600 -0.159 0.000 1.008 730 E CA 1.537 57.870 56.400 -0.111 0.000 0.810 730 E CB -0.139 29.393 29.700 -0.279 0.000 0.739 730 E HN 0.469 nan 8.360 nan 0.000 0.456 731 Y N -1.512 118.880 120.300 0.153 0.000 2.286 731 Y HA -0.123 4.418 4.550 -0.015 0.000 0.293 731 Y C 2.079 177.989 175.900 0.017 0.000 1.124 731 Y CA 1.239 59.420 58.100 0.135 0.000 1.178 731 Y CB -0.514 38.111 38.460 0.275 0.000 1.010 731 Y HN 0.208 nan 8.280 nan 0.000 0.536 732 Y N 1.908 122.296 120.300 0.147 0.000 2.114 732 Y HA -0.242 4.299 4.550 -0.015 0.000 0.284 732 Y C 1.788 177.672 175.900 -0.025 0.000 1.143 732 Y CA 2.077 60.176 58.100 -0.002 0.000 1.135 732 Y CB -0.360 38.176 38.460 0.127 0.000 0.980 732 Y HN 0.325 nan 8.280 nan 0.000 0.499 733 D N -1.472 118.951 120.400 0.037 0.000 2.350 733 D HA 0.016 4.647 4.640 -0.015 0.000 0.213 733 D C 1.821 178.068 176.300 -0.089 0.000 1.031 733 D CA 0.235 54.185 54.000 -0.084 0.000 0.861 733 D CB -0.179 40.658 40.800 0.063 0.000 0.926 733 D HN 0.073 nan 8.370 nan 0.000 0.520 734 R N 0.222 120.679 120.500 -0.072 0.000 2.062 734 R HA 0.206 4.537 4.340 -0.015 0.000 0.226 734 R C 0.118 176.379 176.300 -0.065 0.000 1.125 734 R CA 0.742 56.802 56.100 -0.067 0.000 0.966 734 R CB 0.022 30.272 30.300 -0.083 0.000 0.861 734 R HN 0.159 nan 8.270 nan 0.000 0.433 735 I N 1.248 121.766 120.570 -0.086 0.000 2.355 735 I HA 0.299 4.460 4.170 -0.015 0.000 0.288 735 I C -2.068 173.954 176.117 -0.158 0.000 0.999 735 I CA -3.139 58.120 61.300 -0.067 0.000 1.163 735 I CB 1.176 39.176 38.000 -0.000 0.000 1.316 735 I HN -0.116 nan 8.210 nan 0.000 0.454 736 P HA -0.064 nan 4.420 nan 0.000 0.216 736 P C 1.338 178.556 177.300 -0.137 0.000 1.153 736 P CA 1.226 64.237 63.100 -0.148 0.000 0.844 736 P CB 0.512 32.154 31.700 -0.096 0.000 0.787 737 E N -0.359 119.801 120.200 -0.067 0.000 2.070 737 E HA -0.204 4.138 4.350 -0.015 0.000 0.197 737 E C 2.012 178.538 176.600 -0.123 0.000 1.004 737 E CA 0.989 57.372 56.400 -0.028 0.000 0.805 737 E CB -0.784 28.975 29.700 0.098 0.000 0.744 737 E HN 0.237 nan 8.360 nan 0.000 0.451 738 L N 0.664 121.706 121.223 -0.302 0.000 2.046 738 L HA -0.208 4.123 4.340 -0.015 0.000 0.208 738 L C 2.785 179.421 176.870 -0.391 0.000 1.077 738 L CA 1.202 55.697 54.840 -0.575 0.000 0.747 738 L CB -0.113 41.411 42.059 -0.892 0.000 0.896 738 L HN 0.030 nan 8.230 nan 0.000 0.432 739 R N -0.543 119.710 120.500 -0.411 0.000 2.092 739 R HA -0.224 4.108 4.340 -0.015 0.000 0.231 739 R C 2.382 178.574 176.300 -0.180 0.000 1.119 739 R CA 1.593 57.397 56.100 -0.493 0.000 0.970 739 R CB -0.267 29.611 30.300 -0.702 0.000 0.864 739 R HN 0.471 nan 8.270 nan 0.000 0.440 740 Q N 0.745 120.459 119.800 -0.144 0.000 2.096 740 Q HA -0.204 4.127 4.340 -0.015 0.000 0.204 740 Q C 1.915 177.905 176.000 -0.017 0.000 0.982 740 Q CA 1.932 57.691 55.803 -0.073 0.000 0.850 740 Q CB -0.145 28.544 28.738 -0.083 0.000 0.901 740 Q HN 0.517 nan 8.270 nan 0.000 0.422 741 I N 0.682 121.246 120.570 -0.010 0.000 2.315 741 I HA -0.236 3.925 4.170 -0.015 0.000 0.248 741 I C 2.169 178.355 176.117 0.115 0.000 1.117 741 I CA 0.490 61.831 61.300 0.068 0.000 1.404 741 I CB -0.149 37.866 38.000 0.025 0.000 1.071 741 I HN 0.249 nan 8.210 nan 0.000 0.419 742 I N 0.425 121.065 120.570 0.117 0.000 2.617 742 I HA -0.167 3.994 4.170 -0.015 0.000 0.256 742 I C 2.169 178.405 176.117 0.197 0.000 1.167 742 I CA 1.353 62.772 61.300 0.198 0.000 1.469 742 I CB -0.897 37.297 38.000 0.324 0.000 1.098 742 I HN 0.208 nan 8.210 nan 0.000 0.436 743 E N 0.415 120.717 120.200 0.170 0.000 2.299 743 E HA -0.085 4.256 4.350 -0.015 0.000 0.193 743 E C 2.140 178.820 176.600 0.134 0.000 0.998 743 E CA 0.403 56.889 56.400 0.143 0.000 0.851 743 E CB 0.011 29.777 29.700 0.110 0.000 0.795 743 E HN 0.420 nan 8.360 nan 0.000 0.492 744 Q N -0.114 119.764 119.800 0.131 0.000 2.084 744 Q HA -0.110 4.221 4.340 -0.015 0.000 0.202 744 Q C 2.017 178.228 176.000 0.351 0.000 0.978 744 Q CA 1.067 56.975 55.803 0.176 0.000 0.844 744 Q CB -0.061 28.773 28.738 0.161 0.000 0.898 744 Q HN 0.308 nan 8.270 nan 0.000 0.426 745 L N -0.134 121.301 121.223 0.354 0.000 2.017 745 L HA -0.164 4.167 4.340 -0.015 0.000 0.208 745 L C 2.330 179.380 176.870 0.300 0.000 1.073 745 L CA 1.069 56.126 54.840 0.361 0.000 0.745 745 L CB -0.462 41.742 42.059 0.241 0.000 0.894 745 L HN 0.121 nan 8.230 nan 0.000 0.432 746 S N -0.257 115.575 115.700 0.220 0.000 2.447 746 S HA -0.097 4.365 4.470 -0.015 0.000 0.233 746 S C 1.983 176.678 174.600 0.157 0.000 1.006 746 S CA 1.239 59.544 58.200 0.176 0.000 0.957 746 S CB -0.148 63.135 63.200 0.139 0.000 0.773 746 S HN 0.582 nan 8.310 nan 0.000 0.507 747 S N 0.416 116.214 115.700 0.164 0.000 2.575 747 S HA 0.397 4.858 4.470 -0.015 0.000 0.215 747 S C 1.363 176.050 174.600 0.146 0.000 0.966 747 S CA 0.367 58.647 58.200 0.133 0.000 0.911 747 S CB -0.016 63.251 63.200 0.112 0.000 0.780 747 S HN 0.708 nan 8.310 nan 0.000 0.514 748 G N 1.136 110.051 108.800 0.191 0.000 2.171 748 G HA2 -0.297 3.654 3.960 -0.015 0.000 0.238 748 G HA3 -0.297 3.654 3.960 -0.015 0.000 0.238 748 G C 0.122 175.109 174.900 0.145 0.000 1.039 748 G CA 0.173 45.373 45.100 0.167 0.000 0.759 748 G HN 0.494 nan 8.290 nan 0.000 0.501 749 F N 0.257 120.214 119.950 0.012 0.000 2.134 749 F HA 0.216 4.734 4.527 -0.015 0.000 0.299 749 F C 1.899 177.544 175.800 -0.258 0.000 1.097 749 F CA 1.673 59.556 58.000 -0.195 0.000 1.264 749 F CB -0.155 38.611 39.000 -0.390 0.000 1.001 749 F HN 0.174 nan 8.300 nan 0.000 0.479 750 F N -0.319 119.575 119.950 -0.092 0.000 2.727 750 F HA 0.206 4.724 4.527 -0.015 0.000 0.302 750 F C 0.908 176.734 175.800 0.042 0.000 1.097 750 F CA 0.364 58.291 58.000 -0.123 0.000 1.330 750 F CB -0.314 38.691 39.000 0.009 0.000 1.084 750 F HN -0.019 nan 8.300 nan 0.000 0.578 751 S N 0.202 116.015 115.700 0.188 0.000 2.216 751 S HA 0.339 4.800 4.470 -0.015 0.000 0.156 751 S C -2.651 171.953 174.600 0.006 0.000 1.665 751 S CA -1.100 57.131 58.200 0.051 0.000 1.262 751 S CB 0.813 63.959 63.200 -0.091 0.000 1.207 751 S HN -0.066 nan 8.310 nan 0.000 0.427 752 P HA 0.412 nan 4.420 nan 0.000 0.218 752 P C -0.456 176.836 177.300 -0.013 0.000 1.826 752 P CA -0.409 62.676 63.100 -0.026 0.000 0.946 752 P CB -0.210 31.447 31.700 -0.072 0.000 1.728 753 K N -1.421 118.975 120.400 -0.008 0.000 2.596 753 K HA 0.144 4.455 4.320 -0.015 0.000 0.202 753 K C 0.556 177.154 176.600 -0.003 0.000 1.638 753 K CA -0.018 56.267 56.287 -0.004 0.000 1.022 753 K CB 0.154 32.652 32.500 -0.004 0.000 1.382 753 K HN -0.135 nan 8.250 nan 0.000 0.622 754 Q N 0.945 120.739 119.800 -0.009 0.000 3.112 754 Q HA 0.204 4.535 4.340 -0.015 0.000 0.300 754 Q C -2.281 173.704 176.000 -0.023 0.000 0.760 754 Q CA -1.717 54.074 55.803 -0.021 0.000 0.979 754 Q CB 0.772 29.492 28.738 -0.031 0.000 1.512 754 Q HN -0.011 nan 8.270 nan 0.000 0.378 755 P HA -0.090 nan 4.420 nan 0.000 0.218 755 P C 0.172 177.493 177.300 0.035 0.000 1.149 755 P CA 1.008 64.129 63.100 0.034 0.000 0.817 755 P CB 0.472 32.201 31.700 0.048 0.000 0.785 756 D N -0.915 119.495 120.400 0.018 0.000 2.378 756 D HA -0.034 4.597 4.640 -0.015 0.000 0.227 756 D C 1.742 178.037 176.300 -0.008 0.000 1.012 756 D CA 0.072 54.089 54.000 0.029 0.000 0.905 756 D CB -0.721 40.097 40.800 0.030 0.000 0.895 756 D HN 0.006 nan 8.370 nan 0.000 0.532 757 L N -0.435 120.720 121.223 -0.114 0.000 2.012 757 L HA -0.145 4.186 4.340 -0.015 0.000 0.210 757 L C 1.009 177.694 176.870 -0.308 0.000 1.073 757 L CA 1.752 56.417 54.840 -0.292 0.000 0.748 757 L CB -0.278 41.432 42.059 -0.582 0.000 0.891 757 L HN 0.002 nan 8.230 nan 0.000 0.431 758 F N -0.990 119.011 119.950 0.086 0.000 2.639 758 F HA 0.219 4.738 4.527 -0.014 0.000 0.300 758 F C 1.767 177.615 175.800 0.082 0.000 1.109 758 F CA -0.213 57.828 58.000 0.069 0.000 1.335 758 F CB -0.656 38.375 39.000 0.053 0.000 1.014 758 F HN -0.056 nan 8.300 nan 0.000 0.537 759 K N 0.178 120.701 120.400 0.206 0.000 2.585 759 K HA -0.180 4.131 4.320 -0.015 0.000 0.194 759 K C 1.339 178.037 176.600 0.164 0.000 1.037 759 K CA 1.016 57.405 56.287 0.170 0.000 0.964 759 K CB -0.080 32.498 32.500 0.129 0.000 0.787 759 K HN 0.269 nan 8.250 nan 0.000 0.488 760 D N 0.345 120.852 120.400 0.179 0.000 2.214 760 D HA 0.006 4.638 4.640 -0.015 0.000 0.217 760 D C 1.624 178.017 176.300 0.155 0.000 0.973 760 D CA 0.631 54.736 54.000 0.176 0.000 0.880 760 D CB 0.275 41.193 40.800 0.197 0.000 1.031 760 D HN -0.020 nan 8.370 nan 0.000 0.468 761 I N 0.424 121.086 120.570 0.154 0.000 2.226 761 I HA -0.225 3.936 4.170 -0.015 0.000 0.245 761 I C 2.283 178.457 176.117 0.095 0.000 1.100 761 I CA 0.637 61.999 61.300 0.103 0.000 1.374 761 I CB -0.407 37.638 38.000 0.076 0.000 1.057 761 I HN 0.046 nan 8.210 nan 0.000 0.413 762 V N 1.270 121.256 119.914 0.120 0.000 2.252 762 V HA -0.329 3.782 4.120 -0.015 0.000 0.249 762 V C 2.214 178.331 176.094 0.038 0.000 1.056 762 V CA 2.508 64.865 62.300 0.096 0.000 1.022 762 V CB -0.974 30.922 31.823 0.122 0.000 0.641 762 V HN 0.439 nan 8.190 nan 0.000 0.445 763 N N -0.039 118.719 118.700 0.098 0.000 2.188 763 N HA -0.164 4.567 4.740 -0.015 0.000 0.184 763 N C 1.729 177.343 175.510 0.173 0.000 1.018 763 N CA 1.794 54.932 53.050 0.146 0.000 0.858 763 N CB -0.271 38.365 38.487 0.247 0.000 0.989 763 N HN 0.610 nan 8.380 nan 0.000 0.426 764 M N -0.861 118.852 119.600 0.188 0.000 2.254 764 M HA 0.057 4.528 4.480 -0.015 0.000 0.265 764 M C 1.293 177.611 176.300 0.030 0.000 1.066 764 M CA 1.460 56.889 55.300 0.215 0.000 1.123 764 M CB -0.646 32.062 32.600 0.180 0.000 1.388 764 M HN -0.039 nan 8.290 nan 0.000 0.425 765 L N 0.169 121.355 121.223 -0.061 0.000 2.046 765 L HA -0.010 4.321 4.340 -0.015 0.000 0.208 765 L C 2.438 179.025 176.870 -0.472 0.000 1.077 765 L CA 1.677 56.372 54.840 -0.242 0.000 0.747 765 L CB -1.092 40.875 42.059 -0.153 0.000 0.896 765 L HN 0.470 nan 8.230 nan 0.000 0.432 766 M N -1.991 117.355 119.600 -0.424 0.000 2.476 766 M HA -0.022 4.449 4.480 -0.015 0.000 0.262 766 M C 1.312 177.166 176.300 -0.743 0.000 1.111 766 M CA 1.065 56.005 55.300 -0.601 0.000 1.127 766 M CB -0.351 31.843 32.600 -0.676 0.000 1.376 766 M HN 0.335 nan 8.290 nan 0.000 0.465 767 H N -3.118 115.804 119.070 -0.247 0.000 3.622 767 H HA 0.241 4.788 4.556 -0.015 0.000 0.259 767 H C 0.179 175.090 175.328 -0.694 0.000 1.145 767 H CA 0.371 56.127 56.048 -0.486 0.000 1.178 767 H CB 0.408 29.741 29.762 -0.715 0.000 1.542 767 H HN 0.458 nan 8.280 nan 0.000 0.586 768 H N -0.150 118.949 119.070 0.047 0.000 2.865 768 H HA 0.121 4.668 4.556 -0.015 0.000 0.247 768 H C -0.455 174.892 175.328 0.033 0.000 1.181 768 H CA -0.341 55.742 56.048 0.059 0.000 0.975 768 H CB 0.988 30.799 29.762 0.081 0.000 1.899 768 H HN -0.019 nan 8.280 nan 0.000 0.651 769 D N 1.398 121.837 120.400 0.065 0.000 2.342 769 D HA 0.045 4.676 4.640 -0.015 0.000 0.260 769 D C 0.983 177.257 176.300 -0.044 0.000 1.278 769 D CA 0.065 54.092 54.000 0.045 0.000 0.910 769 D CB 0.673 41.484 40.800 0.018 0.000 1.079 769 D HN 0.344 nan 8.370 nan 0.000 0.496 770 R N 2.762 123.143 120.500 -0.198 0.000 2.275 770 R HA 0.006 4.337 4.340 -0.015 0.000 0.199 770 R C 0.594 176.380 176.300 -0.855 0.000 0.989 770 R CA 0.548 56.322 56.100 -0.544 0.000 1.016 770 R CB 0.241 30.045 30.300 -0.827 0.000 0.918 770 R HN 0.422 nan 8.270 nan 0.000 0.473 771 F N 0.524 120.424 119.950 -0.084 0.000 2.661 771 F HA 0.267 4.785 4.527 -0.015 0.000 0.306 771 F C 0.132 175.803 175.800 -0.215 0.000 1.094 771 F CA -0.569 57.365 58.000 -0.110 0.000 1.254 771 F CB 0.314 39.295 39.000 -0.033 0.000 1.040 771 F HN -0.232 nan 8.300 nan 0.000 0.562 772 K N -0.363 119.860 120.400 -0.295 0.000 3.150 772 K HA -0.171 4.140 4.320 -0.015 0.000 0.267 772 K C 0.970 177.429 176.600 -0.234 0.000 1.028 772 K CA 0.184 56.099 56.287 -0.619 0.000 0.753 772 K CB -1.879 30.186 32.500 -0.725 0.000 1.288 772 K HN 0.177 nan 8.250 nan 0.000 0.473 773 V N -0.090 119.785 119.914 -0.065 0.000 2.282 773 V HA -0.285 3.826 4.120 -0.015 0.000 0.249 773 V C 1.989 178.205 176.094 0.203 0.000 1.057 773 V CA 2.206 64.547 62.300 0.068 0.000 1.032 773 V CB -0.461 31.427 31.823 0.108 0.000 0.645 773 V HN 0.402 nan 8.190 nan 0.000 0.447 774 F N 0.567 120.503 119.950 -0.023 0.000 2.293 774 F HA 0.001 4.519 4.527 -0.015 0.000 0.300 774 F C 2.378 178.019 175.800 -0.263 0.000 1.086 774 F CA 0.668 58.618 58.000 -0.084 0.000 1.375 774 F CB -1.390 37.549 39.000 -0.101 0.000 1.045 774 F HN 0.162 nan 8.300 nan 0.000 0.516 775 A N -0.890 121.795 122.820 -0.224 0.000 2.119 775 A HA -0.098 4.213 4.320 -0.015 0.000 0.217 775 A C 1.480 179.093 177.584 0.049 0.000 1.153 775 A CA 1.529 53.395 52.037 -0.285 0.000 0.692 775 A CB -0.401 18.475 19.000 -0.206 0.000 0.799 775 A HN 0.177 nan 8.150 nan 0.000 0.458 776 D N -2.788 117.676 120.400 0.105 0.000 2.431 776 D HA 0.103 4.735 4.640 -0.015 0.000 0.213 776 D C 0.992 177.465 176.300 0.287 0.000 1.130 776 D CA -0.107 54.017 54.000 0.207 0.000 0.834 776 D CB -0.004 40.893 40.800 0.162 0.000 0.985 776 D HN 0.551 nan 8.370 nan 0.000 0.504 777 Y N 2.087 122.483 120.300 0.159 0.000 2.163 777 Y HA -0.114 4.428 4.550 -0.014 0.000 0.288 777 Y C 2.019 178.028 175.900 0.181 0.000 1.136 777 Y CA 1.676 59.878 58.100 0.170 0.000 1.147 777 Y CB 0.232 38.755 38.460 0.104 0.000 0.987 777 Y HN -0.156 nan 8.280 nan 0.000 0.509 778 E N 0.242 120.516 120.200 0.124 0.000 2.031 778 E HA -0.235 4.106 4.350 -0.015 0.000 0.193 778 E C 2.144 178.737 176.600 -0.012 0.000 0.994 778 E CA 1.587 58.011 56.400 0.041 0.000 0.800 778 E CB -0.197 29.604 29.700 0.169 0.000 0.752 778 E HN 0.643 nan 8.360 nan 0.000 0.447 779 E N -0.011 120.254 120.200 0.108 0.000 2.077 779 E HA -0.201 4.140 4.350 -0.015 0.000 0.193 779 E C 2.001 178.629 176.600 0.045 0.000 0.989 779 E CA 0.897 57.387 56.400 0.151 0.000 0.800 779 E CB -0.194 29.682 29.700 0.293 0.000 0.746 779 E HN 0.268 nan 8.360 nan 0.000 0.452 780 Y N 1.038 121.188 120.300 -0.250 0.000 2.181 780 Y HA -0.201 4.340 4.550 -0.015 0.000 0.288 780 Y C 2.088 177.633 175.900 -0.592 0.000 1.146 780 Y CA 1.040 58.659 58.100 -0.803 0.000 1.164 780 Y CB -0.229 37.803 38.460 -0.713 0.000 0.982 780 Y HN -0.198 nan 8.280 nan 0.000 0.515 781 V N 0.479 120.106 119.914 -0.478 0.000 2.427 781 V HA -0.256 3.855 4.120 -0.015 0.000 0.248 781 V C 2.204 178.116 176.094 -0.303 0.000 1.051 781 V CA 2.135 64.163 62.300 -0.452 0.000 1.048 781 V CB -0.503 31.074 31.823 -0.409 0.000 0.666 781 V HN 0.304 nan 8.190 nan 0.000 0.456 782 K N -0.734 119.542 120.400 -0.206 0.000 2.025 782 K HA -0.182 4.129 4.320 -0.015 0.000 0.207 782 K C 2.308 178.834 176.600 -0.123 0.000 1.049 782 K CA 1.663 57.882 56.287 -0.114 0.000 0.933 782 K CB -0.624 31.852 32.500 -0.040 0.000 0.714 782 K HN 0.516 nan 8.250 nan 0.000 0.438 783 C N 1.556 120.760 119.300 -0.160 0.000 2.413 783 C HA -0.122 4.330 4.460 -0.015 0.000 0.277 783 C C 2.598 177.464 174.990 -0.207 0.000 1.265 783 C CA 0.964 59.920 59.018 -0.103 0.000 1.752 783 C CB -0.645 27.022 27.740 -0.121 0.000 1.998 783 C HN 0.417 nan 8.230 nan 0.000 0.489 784 Q N 0.305 119.828 119.800 -0.460 0.000 2.123 784 Q HA -0.127 4.204 4.340 -0.015 0.000 0.199 784 Q C 2.106 177.934 176.000 -0.286 0.000 0.966 784 Q CA 1.403 56.882 55.803 -0.539 0.000 0.845 784 Q CB -0.435 27.762 28.738 -0.901 0.000 0.907 784 Q HN 0.756 nan 8.270 nan 0.000 0.439 785 E N 0.468 120.558 120.200 -0.184 0.000 2.118 785 E HA -0.168 4.174 4.350 -0.015 0.000 0.195 785 E C 2.058 178.641 176.600 -0.028 0.000 0.992 785 E CA 0.693 57.044 56.400 -0.083 0.000 0.804 785 E CB -0.001 29.666 29.700 -0.056 0.000 0.741 785 E HN 0.254 nan 8.360 nan 0.000 0.458 786 R N 0.322 120.826 120.500 0.006 0.000 2.120 786 R HA -0.097 4.235 4.340 -0.015 0.000 0.234 786 R C 2.422 178.822 176.300 0.167 0.000 1.123 786 R CA 0.791 56.966 56.100 0.126 0.000 0.975 786 R CB -0.291 30.146 30.300 0.228 0.000 0.866 786 R HN 0.070 nan 8.270 nan 0.000 0.446 787 V N 0.612 120.482 119.914 -0.072 0.000 2.255 787 V HA -0.270 3.841 4.120 -0.015 0.000 0.247 787 V C 2.146 178.267 176.094 0.044 0.000 1.051 787 V CA 2.087 64.218 62.300 -0.282 0.000 1.018 787 V CB -0.394 31.082 31.823 -0.577 0.000 0.641 787 V HN 0.297 nan 8.190 nan 0.000 0.445 788 S N -0.184 115.506 115.700 -0.016 0.000 2.423 788 S HA -0.088 4.373 4.470 -0.015 0.000 0.231 788 S C 2.111 176.781 174.600 0.117 0.000 1.014 788 S CA 1.198 59.415 58.200 0.029 0.000 0.965 788 S CB -0.346 62.838 63.200 -0.026 0.000 0.785 788 S HN 0.652 nan 8.310 nan 0.000 0.495 789 A N 1.232 124.126 122.820 0.124 0.000 1.929 789 A HA 0.072 4.383 4.320 -0.015 0.000 0.216 789 A C 2.005 179.694 177.584 0.175 0.000 1.176 789 A CA 0.824 52.942 52.037 0.135 0.000 0.628 789 A CB -0.484 18.587 19.000 0.118 0.000 0.816 789 A HN 0.400 nan 8.150 nan 0.000 0.444 790 L N -1.631 119.755 121.223 0.270 0.000 2.093 790 L HA -0.075 4.256 4.340 -0.015 0.000 0.208 790 L C 2.202 179.266 176.870 0.324 0.000 1.085 790 L CA 1.817 56.890 54.840 0.388 0.000 0.755 790 L CB -1.441 40.986 42.059 0.614 0.000 0.904 790 L HN 0.557 nan 8.230 nan 0.000 0.435 791 Y N 0.971 121.240 120.300 -0.052 0.000 2.274 791 Y HA -0.231 4.310 4.550 -0.014 0.000 0.290 791 Y C 2.402 178.178 175.900 -0.208 0.000 1.145 791 Y CA 1.547 59.343 58.100 -0.507 0.000 1.203 791 Y CB -0.063 38.059 38.460 -0.564 0.000 0.984 791 Y HN 0.182 nan 8.280 nan 0.000 0.533 792 K N -0.077 120.319 120.400 -0.008 0.000 2.360 792 K HA -0.171 4.140 4.320 -0.015 0.000 0.201 792 K C 0.260 176.817 176.600 -0.073 0.000 1.046 792 K CA 1.083 57.358 56.287 -0.019 0.000 0.945 792 K CB -0.326 32.205 32.500 0.052 0.000 0.750 792 K HN 0.210 nan 8.250 nan 0.000 0.464 793 N N 0.215 118.891 118.700 -0.041 0.000 2.623 793 N HA 0.146 4.877 4.740 -0.015 0.000 0.256 793 N C -2.517 172.993 175.510 0.001 0.000 1.045 793 N CA -2.185 50.852 53.050 -0.022 0.000 0.863 793 N CB 1.740 40.243 38.487 0.026 0.000 1.182 793 N HN -0.292 nan 8.380 nan 0.000 0.523 794 P HA -0.085 nan 4.420 nan 0.000 0.220 794 P C 1.127 178.447 177.300 0.034 0.000 1.148 794 P CA 0.908 63.965 63.100 -0.072 0.000 0.803 794 P CB 0.377 32.000 31.700 -0.128 0.000 0.782 795 R N -0.043 120.477 120.500 0.033 0.000 2.075 795 R HA -0.066 4.265 4.340 -0.015 0.000 0.226 795 R C 1.970 178.318 176.300 0.079 0.000 1.114 795 R CA 1.161 57.289 56.100 0.047 0.000 0.972 795 R CB -0.282 30.035 30.300 0.028 0.000 0.869 795 R HN -0.013 nan 8.270 nan 0.000 0.437 796 E N -0.459 119.799 120.200 0.097 0.000 2.112 796 E HA -0.163 4.178 4.350 -0.015 0.000 0.190 796 E C 1.508 178.206 176.600 0.162 0.000 0.979 796 E CA 0.649 57.114 56.400 0.108 0.000 0.814 796 E CB -0.355 29.404 29.700 0.099 0.000 0.762 796 E HN 0.351 nan 8.360 nan 0.000 0.460 797 W N 2.247 123.564 121.300 0.029 0.000 2.301 797 W HA -0.233 4.418 4.660 -0.016 0.000 0.325 797 W C 2.460 179.005 176.519 0.043 0.000 1.250 797 W CA 2.687 60.065 57.345 0.055 0.000 1.261 797 W CB -0.846 28.636 29.460 0.037 0.000 1.157 797 W HN 0.032 nan 8.180 nan 0.000 0.473 798 T N 0.153 114.848 114.554 0.234 0.000 2.803 798 T HA -0.204 4.137 4.350 -0.015 0.000 0.269 798 T C 1.704 176.436 174.700 0.052 0.000 1.052 798 T CA 1.652 63.818 62.100 0.110 0.000 1.136 798 T CB -0.306 68.610 68.868 0.081 0.000 0.864 798 T HN 0.196 nan 8.240 nan 0.000 0.467 799 R N 0.195 120.728 120.500 0.056 0.000 2.189 799 R HA 0.214 4.545 4.340 -0.015 0.000 0.218 799 R C 2.451 178.761 176.300 0.018 0.000 1.074 799 R CA 0.600 56.730 56.100 0.051 0.000 0.991 799 R CB -0.262 30.070 30.300 0.054 0.000 0.883 799 R HN 0.380 nan 8.270 nan 0.000 0.457 800 M N 0.374 119.956 119.600 -0.030 0.000 2.099 800 M HA -0.140 4.331 4.480 -0.015 0.000 0.262 800 M C 2.155 178.398 176.300 -0.095 0.000 1.067 800 M CA 1.425 56.676 55.300 -0.083 0.000 1.124 800 M CB 0.023 32.522 32.600 -0.169 0.000 1.353 800 M HN -0.017 nan 8.290 nan 0.000 0.410 801 V N 1.003 120.832 119.914 -0.143 0.000 2.278 801 V HA -0.343 3.768 4.120 -0.015 0.000 0.251 801 V C 2.188 178.283 176.094 0.002 0.000 1.062 801 V CA 2.014 64.258 62.300 -0.093 0.000 1.038 801 V CB -0.611 31.176 31.823 -0.059 0.000 0.646 801 V HN 0.469 nan 8.190 nan 0.000 0.447 802 I N -0.759 119.836 120.570 0.042 0.000 2.361 802 I HA -0.212 3.949 4.170 -0.015 0.000 0.251 802 I C 2.615 178.789 176.117 0.096 0.000 1.133 802 I CA 1.386 62.751 61.300 0.109 0.000 1.413 802 I CB -0.372 37.735 38.000 0.179 0.000 1.073 802 I HN 0.236 nan 8.210 nan 0.000 0.424 803 R N 0.388 120.925 120.500 0.063 0.000 2.235 803 R HA -0.041 4.290 4.340 -0.015 0.000 0.213 803 R C 1.775 178.118 176.300 0.072 0.000 1.059 803 R CA 0.686 56.821 56.100 0.058 0.000 0.997 803 R CB -0.243 30.079 30.300 0.037 0.000 0.884 803 R HN 0.526 nan 8.270 nan 0.000 0.462 804 N N 0.619 119.364 118.700 0.074 0.000 2.258 804 N HA 0.006 4.737 4.740 -0.015 0.000 0.183 804 N C 1.943 177.523 175.510 0.116 0.000 1.029 804 N CA 0.808 53.925 53.050 0.111 0.000 0.857 804 N CB 0.122 38.660 38.487 0.084 0.000 1.008 804 N HN 0.091 nan 8.380 nan 0.000 0.433 805 I N 1.802 122.430 120.570 0.095 0.000 2.163 805 I HA -0.215 3.947 4.170 -0.015 0.000 0.243 805 I C 2.354 178.529 176.117 0.096 0.000 1.085 805 I CA 0.987 62.349 61.300 0.102 0.000 1.347 805 I CB -0.404 37.655 38.000 0.097 0.000 1.044 805 I HN 0.050 nan 8.210 nan 0.000 0.408 806 A N -0.788 122.083 122.820 0.086 0.000 2.225 806 A HA -0.147 4.164 4.320 -0.015 0.000 0.215 806 A C 2.115 179.733 177.584 0.058 0.000 1.164 806 A CA 1.812 53.885 52.037 0.059 0.000 0.710 806 A CB -0.632 18.401 19.000 0.055 0.000 0.780 806 A HN 0.393 nan 8.150 nan 0.000 0.473 807 T N -0.698 113.908 114.554 0.087 0.000 3.129 807 T HA 0.126 4.468 4.350 -0.015 0.000 0.267 807 T C 1.300 176.094 174.700 0.156 0.000 1.018 807 T CA 0.647 62.804 62.100 0.095 0.000 0.903 807 T CB -0.297 68.629 68.868 0.096 0.000 1.067 807 T HN 0.594 nan 8.240 nan 0.000 0.549 808 S N -0.734 115.076 115.700 0.183 0.000 2.605 808 S HA 0.214 4.675 4.470 -0.015 0.000 0.217 808 S C 2.253 176.931 174.600 0.129 0.000 0.958 808 S CA 0.195 58.577 58.200 0.302 0.000 0.919 808 S CB -0.056 63.328 63.200 0.305 0.000 0.780 808 S HN 0.410 nan 8.310 nan 0.000 0.507 809 G N 2.814 111.630 108.800 0.027 0.000 2.545 809 G HA2 -0.305 3.646 3.960 -0.015 0.000 0.222 809 G HA3 -0.305 3.646 3.960 -0.015 0.000 0.222 809 G C 1.325 176.130 174.900 -0.158 0.000 1.126 809 G CA 0.994 46.076 45.100 -0.030 0.000 0.754 809 G HN 0.554 nan 8.290 nan 0.000 0.583 810 K N -0.344 119.818 120.400 -0.396 0.000 2.439 810 K HA 0.048 4.359 4.320 -0.015 0.000 0.197 810 K C 0.382 176.556 176.600 -0.711 0.000 1.041 810 K CA 0.184 56.107 56.287 -0.606 0.000 0.970 810 K CB -0.103 31.894 32.500 -0.838 0.000 0.773 810 K HN 0.364 nan 8.250 nan 0.000 0.479 811 F N 0.390 120.367 119.950 0.045 0.000 2.925 811 F HA 0.243 4.760 4.527 -0.015 0.000 0.302 811 F C 0.404 176.244 175.800 0.066 0.000 1.189 811 F CA -0.485 57.547 58.000 0.053 0.000 1.346 811 F CB 0.435 39.465 39.000 0.050 0.000 0.954 811 F HN -0.214 nan 8.300 nan 0.000 0.506 812 S N -0.233 115.520 115.700 0.088 0.000 2.541 812 S HA 0.271 4.732 4.470 -0.015 0.000 0.283 812 S C 1.313 175.975 174.600 0.103 0.000 1.196 812 S CA -0.275 57.984 58.200 0.097 0.000 1.062 812 S CB 0.923 64.152 63.200 0.048 0.000 1.009 812 S HN 0.340 nan 8.310 nan 0.000 0.502 813 S N 2.900 118.681 115.700 0.135 0.000 2.481 813 S HA -0.057 4.404 4.470 -0.015 0.000 0.231 813 S C 0.857 175.488 174.600 0.050 0.000 0.996 813 S CA 0.603 58.895 58.200 0.153 0.000 0.942 813 S CB -0.327 63.023 63.200 0.250 0.000 0.768 813 S HN 0.752 nan 8.310 nan 0.000 0.520 814 D N 1.688 122.107 120.400 0.032 0.000 2.178 814 D HA -0.047 4.584 4.640 -0.015 0.000 0.202 814 D C 2.053 178.347 176.300 -0.010 0.000 0.974 814 D CA 0.644 54.646 54.000 0.002 0.000 0.841 814 D CB -0.240 40.562 40.800 0.002 0.000 0.953 814 D HN 0.275 nan 8.370 nan 0.000 0.478 815 R N 0.799 121.294 120.500 -0.008 0.000 2.062 815 R HA -0.046 4.286 4.340 -0.015 0.000 0.226 815 R C 1.763 178.051 176.300 -0.019 0.000 1.125 815 R CA 1.217 57.303 56.100 -0.025 0.000 0.966 815 R CB -0.756 29.515 30.300 -0.049 0.000 0.861 815 R HN 0.101 nan 8.270 nan 0.000 0.433 816 T N 2.542 117.104 114.554 0.014 0.000 2.597 816 T HA -0.169 4.172 4.350 -0.015 0.000 0.267 816 T C 1.981 176.692 174.700 0.017 0.000 1.053 816 T CA 1.629 63.764 62.100 0.059 0.000 1.165 816 T CB -0.201 68.758 68.868 0.152 0.000 0.863 816 T HN 0.085 nan 8.240 nan 0.000 0.427 817 I N 1.775 122.250 120.570 -0.158 0.000 2.202 817 I HA -0.092 4.070 4.170 -0.015 0.000 0.242 817 I C 3.032 179.119 176.117 -0.050 0.000 1.091 817 I CA 1.188 62.365 61.300 -0.206 0.000 1.368 817 I CB -1.707 36.159 38.000 -0.223 0.000 1.058 817 I HN 0.232 nan 8.210 nan 0.000 0.410 818 A N -0.043 122.759 122.820 -0.029 0.000 1.948 818 A HA -0.276 4.035 4.320 -0.015 0.000 0.220 818 A C 2.284 179.844 177.584 -0.040 0.000 1.177 818 A CA 1.786 53.814 52.037 -0.015 0.000 0.636 818 A CB -0.672 18.319 19.000 -0.015 0.000 0.815 818 A HN 0.509 nan 8.150 nan 0.000 0.449 819 Q N -2.086 117.673 119.800 -0.068 0.000 2.083 819 Q HA -0.147 4.185 4.340 -0.015 0.000 0.198 819 Q C 1.867 177.733 176.000 -0.222 0.000 0.969 819 Q CA 1.605 57.332 55.803 -0.127 0.000 0.838 819 Q CB -0.248 28.406 28.738 -0.140 0.000 0.900 819 Q HN 0.817 nan 8.270 nan 0.000 0.436 820 Y N -0.094 119.958 120.300 -0.414 0.000 2.128 820 Y HA -0.270 4.271 4.550 -0.015 0.000 0.284 820 Y C 2.325 177.763 175.900 -0.770 0.000 1.154 820 Y CA 1.311 58.939 58.100 -0.788 0.000 1.149 820 Y CB -0.407 37.237 38.460 -1.360 0.000 0.976 820 Y HN 0.179 nan 8.280 nan 0.000 0.505 821 A N -0.300 122.410 122.820 -0.183 0.000 1.933 821 A HA -0.219 4.092 4.320 -0.015 0.000 0.218 821 A C 2.223 179.850 177.584 0.071 0.000 1.175 821 A CA 1.979 54.100 52.037 0.139 0.000 0.628 821 A CB -0.527 18.592 19.000 0.199 0.000 0.814 821 A HN 0.437 nan 8.150 nan 0.000 0.444 822 R N -0.938 119.551 120.500 -0.018 0.000 2.140 822 R HA 0.031 4.362 4.340 -0.015 0.000 0.213 822 R C 1.069 177.351 176.300 -0.031 0.000 1.059 822 R CA 1.243 57.336 56.100 -0.013 0.000 1.000 822 R CB 0.129 30.414 30.300 -0.025 0.000 0.910 822 R HN 0.661 nan 8.270 nan 0.000 0.455 823 E N -1.376 118.771 120.200 -0.088 0.000 2.601 823 E HA 0.151 4.492 4.350 -0.015 0.000 0.219 823 E C 0.936 177.492 176.600 -0.074 0.000 0.964 823 E CA 0.021 56.377 56.400 -0.073 0.000 1.050 823 E CB 0.923 30.563 29.700 -0.100 0.000 1.068 823 E HN 0.272 nan 8.360 nan 0.000 0.496 824 I N -0.937 119.558 120.570 -0.124 0.000 3.739 824 I HA 0.092 4.254 4.170 -0.015 0.000 0.272 824 I C 1.203 177.421 176.117 0.169 0.000 1.167 824 I CA -0.006 61.261 61.300 -0.055 0.000 1.386 824 I CB 0.239 38.043 38.000 -0.326 0.000 1.490 824 I HN 0.102 nan 8.210 nan 0.000 0.452 825 W N 1.676 123.056 121.300 0.132 0.000 2.942 825 W HA 0.370 5.021 4.660 -0.015 0.000 0.263 825 W C 1.372 177.919 176.519 0.046 0.000 1.296 825 W CA 0.639 58.046 57.345 0.103 0.000 1.504 825 W CB -0.852 28.660 29.460 0.086 0.000 1.096 825 W HN 0.305 nan 8.180 nan 0.000 0.639 826 G N 1.350 110.268 108.800 0.195 0.000 2.289 826 G HA2 -0.097 3.854 3.960 -0.015 0.000 0.280 826 G HA3 -0.097 3.854 3.960 -0.015 0.000 0.280 826 G C -0.478 174.481 174.900 0.097 0.000 1.089 826 G CA 0.236 45.402 45.100 0.109 0.000 0.939 826 G HN 0.148 nan 8.290 nan 0.000 0.499 827 V N -3.105 116.877 119.914 0.114 0.000 3.114 827 V HA 0.823 4.934 4.120 -0.015 0.000 0.308 827 V C -0.391 175.746 176.094 0.070 0.000 1.168 827 V CA -1.726 60.622 62.300 0.081 0.000 1.015 827 V CB 2.194 34.069 31.823 0.086 0.000 1.050 827 V HN 0.171 nan 8.190 nan 0.000 0.433 828 E N 2.258 122.485 120.200 0.045 0.000 2.156 828 E HA 0.514 4.855 4.350 -0.015 0.000 0.279 828 E C -2.541 174.083 176.600 0.040 0.000 0.965 828 E CA -1.849 54.574 56.400 0.039 0.000 0.789 828 E CB 1.774 31.490 29.700 0.027 0.000 1.098 828 E HN 0.573 nan 8.360 nan 0.000 0.397 829 P HA -0.034 nan 4.420 nan 0.000 0.267 829 P C -0.675 176.644 177.300 0.031 0.000 1.195 829 P CA 0.169 63.290 63.100 0.035 0.000 0.773 829 P CB 0.551 32.268 31.700 0.029 0.000 0.837 830 S N 0.882 116.601 115.700 0.033 0.000 2.647 830 S HA 0.297 4.758 4.470 -0.015 0.000 0.300 830 S C 0.639 175.258 174.600 0.031 0.000 1.129 830 S CA -0.745 57.475 58.200 0.033 0.000 1.029 830 S CB 0.815 64.041 63.200 0.043 0.000 1.007 830 S HN 0.407 nan 8.310 nan 0.000 0.484 831 R N 2.397 122.913 120.500 0.027 0.000 2.127 831 R HA 0.055 4.386 4.340 -0.015 0.000 0.217 831 R C 0.764 177.079 176.300 0.025 0.000 1.074 831 R CA 0.583 56.700 56.100 0.028 0.000 0.991 831 R CB -0.000 30.316 30.300 0.027 0.000 0.895 831 R HN 0.848 nan 8.270 nan 0.000 0.450 832 Q N 0.817 120.628 119.800 0.019 0.000 2.535 832 Q HA 0.111 4.442 4.340 -0.015 0.000 0.228 832 Q C -0.839 175.160 176.000 -0.001 0.000 1.062 832 Q CA -0.297 55.511 55.803 0.009 0.000 0.967 832 Q CB 0.399 29.141 28.738 0.006 0.000 1.273 832 Q HN -0.184 nan 8.270 nan 0.000 0.554 833 R N 0.692 121.183 120.500 -0.014 0.000 2.442 833 R HA 0.245 4.576 4.340 -0.015 0.000 0.291 833 R C -0.510 175.764 176.300 -0.044 0.000 1.069 833 R CA -0.437 55.645 56.100 -0.030 0.000 1.022 833 R CB 0.079 30.358 30.300 -0.035 0.000 0.976 833 R HN 0.584 nan 8.270 nan 0.000 0.443 834 L N 5.146 126.334 121.223 -0.058 0.000 2.466 834 L HA 0.410 4.741 4.340 -0.015 0.000 0.257 834 L C -1.805 175.014 176.870 -0.085 0.000 1.189 834 L CA -1.866 52.912 54.840 -0.103 0.000 0.813 834 L CB 0.790 42.773 42.059 -0.127 0.000 1.118 834 L HN 0.576 nan 8.230 nan 0.000 0.471 835 P HA 0.322 nan 4.420 nan 0.000 0.257 835 P C -0.697 176.572 177.300 -0.052 0.000 1.737 835 P CA -0.312 62.751 63.100 -0.063 0.000 1.130 835 P CB 0.462 32.127 31.700 -0.057 0.000 1.572 836 A N 2.097 124.885 122.820 -0.053 0.000 2.281 836 A HA 0.391 4.702 4.320 -0.015 0.000 0.271 836 A C -1.266 176.309 177.584 -0.015 0.000 1.196 836 A CA -0.694 51.325 52.037 -0.030 0.000 0.807 836 A CB -0.774 18.211 19.000 -0.026 0.000 1.138 836 A HN 0.102 nan 8.150 nan 0.000 0.506 837 P HA 0.123 nan 4.420 nan 0.000 0.273 837 P C -0.509 176.794 177.300 0.006 0.000 1.324 837 P CA 0.413 63.519 63.100 0.011 0.000 0.728 837 P CB -0.437 31.277 31.700 0.022 0.000 1.614 838 D N -0.343 120.060 120.400 0.004 0.000 2.453 838 D HA 0.298 4.929 4.640 -0.015 0.000 0.282 838 D C 0.211 176.507 176.300 -0.007 0.000 1.222 838 D CA -0.195 53.804 54.000 -0.002 0.000 1.079 838 D CB -0.273 40.523 40.800 -0.006 0.000 1.128 838 D HN 0.320 nan 8.370 nan 0.000 0.568 839 E N -2.483 117.711 120.200 -0.009 0.000 2.272 839 E HA 0.519 4.860 4.350 -0.015 0.000 0.269 839 E C -1.292 175.301 176.600 -0.012 0.000 0.877 839 E CA -1.213 55.181 56.400 -0.009 0.000 0.755 839 E CB 0.900 30.596 29.700 -0.008 0.000 1.192 839 E HN 0.498 nan 8.360 nan 0.000 0.422 840 K N 2.151 122.545 120.400 -0.010 0.000 2.356 840 K HA 0.668 4.979 4.320 -0.015 0.000 0.243 840 K C 0.490 177.084 176.600 -0.010 0.000 1.072 840 K CA 0.065 56.345 56.287 -0.012 0.000 1.014 840 K CB -0.596 31.898 32.500 -0.010 0.000 1.523 840 K HN 0.700 nan 8.250 nan 0.000 0.455 841 I N 0.000 120.563 120.570 -0.011 0.000 2.984 841 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 841 I CA 0.000 61.294 61.300 -0.011 0.000 1.566 841 I CB 0.000 37.993 38.000 -0.011 0.000 1.214 841 I HN 0.000 nan 8.210 nan 0.000 0.494