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 2pyd_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDXXXXXXXX DATA SEQUENCE XGYIQAVLDR NLAENISRVL YPNDNFFEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKXXXX XXXXXNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV LPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM XFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.273 176.300 -0.045 0.000 0.893 10 R CA 0.000 56.077 56.100 -0.039 0.000 0.921 10 R CB 0.000 30.269 30.300 -0.051 0.000 0.687 11 K N 1.127 121.485 120.400 -0.069 0.000 2.418 11 K HA 0.101 4.420 4.320 -0.003 0.000 0.195 11 K C 0.760 177.331 176.600 -0.049 0.000 1.035 11 K CA 0.945 57.192 56.287 -0.067 0.000 1.003 11 K CB 0.319 32.755 32.500 -0.107 0.000 0.793 11 K HN 0.449 nan 8.250 nan 0.000 0.494 12 Q N 0.075 119.849 119.800 -0.043 0.000 2.472 12 Q HA 0.047 4.385 4.340 -0.003 0.000 0.208 12 Q C -0.182 175.809 176.000 -0.014 0.000 0.958 12 Q CA 0.078 55.864 55.803 -0.029 0.000 0.932 12 Q CB 0.190 28.911 28.738 -0.028 0.000 1.007 12 Q HN 0.108 nan 8.270 nan 0.000 0.508 13 I N 1.259 121.822 120.570 -0.012 0.000 2.421 13 I HA -0.097 4.071 4.170 -0.003 0.000 0.291 13 I C 1.313 177.435 176.117 0.007 0.000 1.089 13 I CA 0.226 61.528 61.300 0.002 0.000 1.354 13 I CB 1.300 39.303 38.000 0.005 0.000 1.413 13 I HN 0.078 nan 8.210 nan 0.000 0.513 14 S N 4.948 120.658 115.700 0.016 0.000 2.428 14 S HA -0.123 4.345 4.470 -0.003 0.000 0.230 14 S C 1.772 176.388 174.600 0.027 0.000 1.014 14 S CA 0.761 58.971 58.200 0.018 0.000 0.957 14 S CB -0.588 62.625 63.200 0.023 0.000 0.784 14 S HN 0.608 nan 8.310 nan 0.000 0.499 15 V N -0.422 119.517 119.914 0.041 0.000 3.078 15 V HA 0.144 4.262 4.120 -0.003 0.000 0.265 15 V C 2.128 178.248 176.094 0.044 0.000 1.122 15 V CA 1.222 63.553 62.300 0.052 0.000 1.141 15 V CB -1.076 30.787 31.823 0.067 0.000 0.735 15 V HN 0.363 nan 8.190 nan 0.000 0.498 16 R N 0.882 121.396 120.500 0.023 0.000 2.313 16 R HA 0.411 4.750 4.340 -0.003 0.000 0.199 16 R C 1.209 177.505 176.300 -0.007 0.000 0.958 16 R CA 0.623 56.728 56.100 0.009 0.000 1.047 16 R CB 0.014 30.314 30.300 -0.001 0.000 0.955 16 R HN 0.803 nan 8.270 nan 0.000 0.481 17 G N 0.480 109.276 108.800 -0.007 0.000 2.627 17 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.214 17 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.214 17 G C -0.814 174.073 174.900 -0.022 0.000 1.331 17 G CA -0.953 44.133 45.100 -0.023 0.000 0.891 17 G HN 0.073 nan 8.290 nan 0.000 0.539 18 L N 0.253 121.460 121.223 -0.027 0.000 2.334 18 L HA 0.693 5.031 4.340 -0.003 0.000 0.275 18 L C 1.004 177.860 176.870 -0.022 0.000 1.036 18 L CA -0.362 54.465 54.840 -0.021 0.000 0.807 18 L CB 1.973 44.021 42.059 -0.019 0.000 1.231 18 L HN 1.167 nan 8.230 nan 0.000 0.438 19 A N 2.229 125.039 122.820 -0.017 0.000 3.095 19 A HA 0.513 4.832 4.320 -0.003 0.000 0.301 19 A C 0.624 178.204 177.584 -0.006 0.000 1.432 19 A CA -0.406 51.623 52.037 -0.013 0.000 1.140 19 A CB -0.628 18.365 19.000 -0.013 0.000 1.174 19 A HN 0.794 nan 8.150 nan 0.000 0.546 20 G N 0.268 109.064 108.800 -0.006 0.000 2.353 20 G HA2 0.304 4.262 3.960 -0.003 0.000 0.239 20 G HA3 0.304 4.262 3.960 -0.003 0.000 0.239 20 G C 1.189 176.094 174.900 0.008 0.000 1.295 20 G CA 0.203 45.304 45.100 0.001 0.000 0.884 20 G HN 1.330 nan 8.290 nan 0.000 0.537 21 V N 0.646 120.565 119.914 0.009 0.000 2.343 21 V HA -0.141 3.977 4.120 -0.003 0.000 0.247 21 V C 2.035 178.139 176.094 0.017 0.000 1.051 21 V CA 2.310 64.617 62.300 0.012 0.000 1.036 21 V CB -0.705 31.124 31.823 0.010 0.000 0.654 21 V HN 0.763 nan 8.190 nan 0.000 0.451 22 E N 0.600 120.811 120.200 0.019 0.000 2.106 22 E HA -0.189 4.159 4.350 -0.003 0.000 0.192 22 E C 2.184 178.807 176.600 0.037 0.000 0.984 22 E CA 1.274 57.689 56.400 0.025 0.000 0.806 22 E CB -0.231 29.483 29.700 0.024 0.000 0.750 22 E HN 0.677 nan 8.360 nan 0.000 0.458 23 N N 0.538 119.259 118.700 0.035 0.000 2.084 23 N HA -0.139 4.599 4.740 -0.003 0.000 0.190 23 N C 1.773 177.311 175.510 0.048 0.000 1.030 23 N CA 0.979 54.057 53.050 0.047 0.000 0.849 23 N CB -0.164 38.338 38.487 0.024 0.000 1.012 23 N HN -0.056 nan 8.380 nan 0.000 0.423 24 V N 0.253 120.184 119.914 0.030 0.000 2.332 24 V HA -0.232 3.887 4.120 -0.003 0.000 0.248 24 V C 2.200 178.314 176.094 0.034 0.000 1.055 24 V CA 2.113 64.429 62.300 0.026 0.000 1.038 24 V CB -1.101 30.732 31.823 0.017 0.000 0.651 24 V HN 0.404 nan 8.190 nan 0.000 0.450 25 T N -0.598 113.976 114.554 0.033 0.000 2.684 25 T HA -0.274 4.074 4.350 -0.003 0.000 0.267 25 T C 1.879 176.612 174.700 0.055 0.000 1.036 25 T CA 1.984 64.105 62.100 0.035 0.000 1.148 25 T CB -0.223 68.662 68.868 0.029 0.000 0.863 25 T HN 0.640 nan 8.240 nan 0.000 0.436 26 E N 0.491 120.732 120.200 0.068 0.000 2.051 26 E HA -0.091 4.257 4.350 -0.003 0.000 0.192 26 E C 2.200 178.877 176.600 0.129 0.000 0.991 26 E CA 0.827 57.282 56.400 0.091 0.000 0.799 26 E CB -0.214 29.548 29.700 0.102 0.000 0.748 26 E HN 0.414 nan 8.360 nan 0.000 0.449 27 L N 0.627 121.935 121.223 0.142 0.000 2.042 27 L HA -0.229 4.109 4.340 -0.003 0.000 0.210 27 L C 2.592 179.572 176.870 0.182 0.000 1.076 27 L CA 1.538 56.484 54.840 0.178 0.000 0.749 27 L CB -0.319 41.817 42.059 0.127 0.000 0.893 27 L HN 0.060 nan 8.230 nan 0.000 0.432 28 K N -0.100 120.364 120.400 0.107 0.000 2.097 28 K HA -0.226 4.092 4.320 -0.003 0.000 0.206 28 K C 2.181 178.878 176.600 0.161 0.000 1.049 28 K CA 1.315 57.653 56.287 0.085 0.000 0.933 28 K CB -0.118 32.389 32.500 0.011 0.000 0.717 28 K HN 0.187 nan 8.250 nan 0.000 0.442 29 K N 0.875 121.353 120.400 0.130 0.000 2.057 29 K HA -0.123 4.195 4.320 -0.003 0.000 0.206 29 K C 1.638 178.328 176.600 0.150 0.000 1.050 29 K CA 1.331 57.688 56.287 0.118 0.000 0.935 29 K CB 0.072 32.620 32.500 0.079 0.000 0.715 29 K HN 0.074 nan 8.250 nan 0.000 0.439 30 N N 0.249 119.053 118.700 0.173 0.000 2.300 30 N HA -0.122 4.617 4.740 -0.003 0.000 0.179 30 N C 1.607 177.289 175.510 0.286 0.000 1.016 30 N CA 0.726 53.881 53.050 0.174 0.000 0.876 30 N CB -0.272 38.322 38.487 0.177 0.000 0.979 30 N HN 0.168 nan 8.380 nan 0.000 0.432 31 F N 2.667 122.725 119.950 0.181 0.000 2.065 31 F HA -0.195 4.330 4.527 -0.003 0.000 0.298 31 F C 2.008 177.919 175.800 0.185 0.000 1.112 31 F CA 1.476 59.589 58.000 0.189 0.000 1.212 31 F CB -0.177 38.896 39.000 0.121 0.000 0.975 31 F HN -0.012 nan 8.300 nan 0.000 0.476 32 N N 0.333 119.279 118.700 0.410 0.000 2.166 32 N HA -0.185 4.553 4.740 -0.003 0.000 0.186 32 N C 2.023 177.632 175.510 0.164 0.000 1.019 32 N CA 1.200 54.412 53.050 0.270 0.000 0.856 32 N CB -0.575 38.040 38.487 0.213 0.000 0.993 32 N HN 0.372 nan 8.380 nan 0.000 0.426 33 R N 0.209 120.801 120.500 0.153 0.000 2.073 33 R HA -0.108 4.230 4.340 -0.003 0.000 0.234 33 R C 1.829 178.224 176.300 0.158 0.000 1.134 33 R CA 1.522 57.728 56.100 0.175 0.000 0.952 33 R CB -0.230 30.115 30.300 0.076 0.000 0.850 33 R HN 0.390 nan 8.270 nan 0.000 0.433 34 H N -0.369 118.762 119.070 0.102 0.000 2.357 34 H HA -0.127 4.427 4.556 -0.003 0.000 0.301 34 H C 1.919 177.221 175.328 -0.044 0.000 1.082 34 H CA 1.487 57.539 56.048 0.007 0.000 1.342 34 H CB 0.044 29.779 29.762 -0.045 0.000 1.389 34 H HN 0.121 nan 8.280 nan 0.000 0.511 35 L N -0.015 121.233 121.223 0.042 0.000 2.042 35 L HA -0.228 4.110 4.340 -0.003 0.000 0.210 35 L C 2.252 179.126 176.870 0.007 0.000 1.076 35 L CA 1.927 56.763 54.840 -0.006 0.000 0.749 35 L CB -0.421 41.653 42.059 0.026 0.000 0.893 35 L HN 0.324 nan 8.230 nan 0.000 0.432 36 H N -1.794 117.220 119.070 -0.093 0.000 2.276 36 H HA -0.087 4.468 4.556 -0.003 0.000 0.307 36 H C 1.799 176.955 175.328 -0.287 0.000 1.061 36 H CA 2.334 58.228 56.048 -0.256 0.000 1.336 36 H CB -0.290 29.206 29.762 -0.444 0.000 1.396 36 H HN 0.291 nan 8.280 nan 0.000 0.503 37 F N -0.458 119.465 119.950 -0.045 0.000 2.270 37 F HA -0.000 4.525 4.527 -0.003 0.000 0.295 37 F C 2.587 178.311 175.800 -0.127 0.000 1.087 37 F CA 1.355 59.286 58.000 -0.116 0.000 1.365 37 F CB -0.344 38.632 39.000 -0.041 0.000 1.056 37 F HN 0.184 nan 8.300 nan 0.000 0.506 38 T N 0.063 114.660 114.554 0.072 0.000 2.901 38 T HA 0.065 4.414 4.350 -0.003 0.000 0.252 38 T C 2.012 176.651 174.700 -0.102 0.000 1.035 38 T CA 0.843 62.917 62.100 -0.043 0.000 1.142 38 T CB -0.305 68.508 68.868 -0.092 0.000 0.869 38 T HN 0.098 nan 8.240 nan 0.000 0.442 39 L N 1.258 122.430 121.223 -0.085 0.000 2.446 39 L HA 0.183 4.522 4.340 -0.003 0.000 0.219 39 L C 0.504 177.304 176.870 -0.117 0.000 1.116 39 L CA -0.011 54.769 54.840 -0.100 0.000 0.844 39 L CB -0.300 41.714 42.059 -0.074 0.000 0.970 39 L HN 0.011 nan 8.230 nan 0.000 0.457 40 V N 0.521 120.343 119.914 -0.152 0.000 5.949 40 V HA -0.275 3.844 4.120 -0.003 0.000 0.287 40 V C -0.107 175.896 176.094 -0.152 0.000 0.603 40 V CA 1.016 63.195 62.300 -0.203 0.000 0.608 40 V CB -2.081 29.643 31.823 -0.165 0.000 0.259 40 V HN 0.434 nan 8.190 nan 0.000 0.742 41 K N 0.796 121.120 120.400 -0.127 0.000 2.435 41 K HA 0.738 5.056 4.320 -0.003 0.000 0.251 41 K C -0.714 175.873 176.600 -0.022 0.000 0.954 41 K CA -0.746 55.496 56.287 -0.075 0.000 0.820 41 K CB 2.120 34.572 32.500 -0.081 0.000 1.292 41 K HN 0.342 nan 8.250 nan 0.000 0.436 42 D N 0.691 121.090 120.400 -0.002 0.000 2.299 42 D HA 0.306 4.944 4.640 -0.003 0.000 0.243 42 D C 0.443 176.783 176.300 0.066 0.000 0.982 42 D CA -0.336 53.690 54.000 0.043 0.000 0.924 42 D CB 1.304 42.122 40.800 0.030 0.000 1.238 42 D HN 0.377 nan 8.370 nan 0.000 0.484 43 R N 1.352 121.920 120.500 0.113 0.000 2.249 43 R HA -0.072 4.266 4.340 -0.003 0.000 0.230 43 R C 1.079 177.451 176.300 0.119 0.000 1.121 43 R CA 0.647 56.850 56.100 0.172 0.000 0.997 43 R CB -0.228 30.172 30.300 0.166 0.000 0.867 43 R HN 0.447 nan 8.270 nan 0.000 0.465 44 N N 0.325 119.065 118.700 0.067 0.000 2.300 44 N HA -0.093 4.646 4.740 -0.003 0.000 0.179 44 N C 1.758 177.284 175.510 0.026 0.000 1.016 44 N CA 1.446 54.522 53.050 0.044 0.000 0.876 44 N CB 0.142 38.646 38.487 0.029 0.000 0.979 44 N HN 0.223 nan 8.380 nan 0.000 0.432 45 V N -2.452 117.466 119.914 0.007 0.000 3.661 45 V HA 0.493 4.611 4.120 -0.003 0.000 0.271 45 V C 0.894 176.952 176.094 -0.060 0.000 1.315 45 V CA -0.408 61.881 62.300 -0.019 0.000 1.072 45 V CB -0.523 31.286 31.823 -0.024 0.000 0.830 45 V HN 0.063 nan 8.190 nan 0.000 0.443 46 A N 2.457 125.221 122.820 -0.093 0.000 2.488 46 A HA 0.528 4.847 4.320 -0.003 0.000 0.249 46 A C 0.789 178.161 177.584 -0.353 0.000 1.083 46 A CA 0.778 52.645 52.037 -0.283 0.000 0.768 46 A CB -0.300 18.440 19.000 -0.434 0.000 1.017 46 A HN 0.791 nan 8.150 nan 0.000 0.496 47 T N 0.630 114.978 114.554 -0.344 0.000 2.912 47 T HA 0.542 4.891 4.350 -0.003 0.000 0.280 47 T C -2.026 172.536 174.700 -0.230 0.000 0.989 47 T CA -1.715 60.265 62.100 -0.200 0.000 0.995 47 T CB 1.042 69.855 68.868 -0.092 0.000 1.077 47 T HN 0.268 nan 8.240 nan 0.000 0.531 48 P HA -0.118 nan 4.420 nan 0.000 0.216 48 P C 1.652 179.041 177.300 0.148 0.000 1.150 48 P CA 1.020 64.225 63.100 0.176 0.000 0.843 48 P CB 0.034 31.817 31.700 0.138 0.000 0.787 49 R N 0.044 120.581 120.500 0.062 0.000 2.073 49 R HA -0.161 4.177 4.340 -0.003 0.000 0.234 49 R C 1.714 178.159 176.300 0.241 0.000 1.134 49 R CA 1.949 58.123 56.100 0.123 0.000 0.952 49 R CB -0.781 29.514 30.300 -0.007 0.000 0.850 49 R HN 0.086 nan 8.270 nan 0.000 0.433 50 D N -0.329 120.100 120.400 0.048 0.000 2.123 50 D HA -0.203 4.435 4.640 -0.003 0.000 0.196 50 D C 1.778 178.102 176.300 0.039 0.000 0.992 50 D CA 1.376 55.369 54.000 -0.012 0.000 0.833 50 D CB -0.344 40.314 40.800 -0.237 0.000 0.954 50 D HN 0.324 nan 8.370 nan 0.000 0.455 51 Y N -0.091 120.300 120.300 0.151 0.000 2.242 51 Y HA -0.177 4.372 4.550 -0.003 0.000 0.291 51 Y C 2.293 178.305 175.900 0.186 0.000 1.137 51 Y CA 0.130 58.359 58.100 0.215 0.000 1.181 51 Y CB -1.185 37.484 38.460 0.349 0.000 0.989 51 Y HN 0.095 nan 8.280 nan 0.000 0.527 52 Y N -0.450 119.976 120.300 0.209 0.000 2.128 52 Y HA -0.293 4.255 4.550 -0.003 0.000 0.284 52 Y C 1.975 177.800 175.900 -0.125 0.000 1.154 52 Y CA 1.400 59.511 58.100 0.019 0.000 1.149 52 Y CB -1.117 37.263 38.460 -0.133 0.000 0.976 52 Y HN 0.036 nan 8.280 nan 0.000 0.505 53 F N 0.185 119.874 119.950 -0.435 0.000 2.186 53 F HA -0.117 4.409 4.527 -0.003 0.000 0.299 53 F C 2.648 178.181 175.800 -0.445 0.000 1.090 53 F CA 1.254 58.890 58.000 -0.607 0.000 1.307 53 F CB -0.834 38.025 39.000 -0.235 0.000 1.019 53 F HN 0.204 nan 8.300 nan 0.000 0.489 54 A N -0.098 122.628 122.820 -0.157 0.000 1.908 54 A HA -0.206 4.113 4.320 -0.003 0.000 0.218 54 A C 2.071 179.458 177.584 -0.328 0.000 1.181 54 A CA 1.716 53.535 52.037 -0.363 0.000 0.627 54 A CB -1.045 17.386 19.000 -0.948 0.000 0.818 54 A HN 0.354 nan 8.150 nan 0.000 0.445 55 L N -0.337 120.792 121.223 -0.156 0.000 2.027 55 L HA -0.010 4.328 4.340 -0.003 0.000 0.206 55 L C 2.697 179.491 176.870 -0.128 0.000 1.074 55 L CA 2.161 57.060 54.840 0.098 0.000 0.745 55 L CB -0.910 41.301 42.059 0.253 0.000 0.898 55 L HN 0.345 nan 8.230 nan 0.000 0.433 56 A N -1.050 121.474 122.820 -0.493 0.000 1.883 56 A HA -0.296 4.022 4.320 -0.003 0.000 0.217 56 A C 2.136 179.299 177.584 -0.701 0.000 1.186 56 A CA 2.130 53.736 52.037 -0.718 0.000 0.624 56 A CB -1.192 16.993 19.000 -1.357 0.000 0.822 56 A HN 0.704 nan 8.150 nan 0.000 0.444 57 H N -0.912 117.810 119.070 -0.579 0.000 2.353 57 H HA -0.074 4.481 4.556 -0.003 0.000 0.300 57 H C 2.391 177.454 175.328 -0.441 0.000 1.090 57 H CA 1.823 57.474 56.048 -0.663 0.000 1.327 57 H CB -0.239 28.846 29.762 -1.129 0.000 1.383 57 H HN 0.460 nan 8.280 nan 0.000 0.508 58 T N 0.021 114.503 114.554 -0.119 0.000 2.684 58 T HA -0.159 4.189 4.350 -0.003 0.000 0.267 58 T C 2.282 177.142 174.700 0.266 0.000 1.036 58 T CA 1.444 63.670 62.100 0.210 0.000 1.148 58 T CB -0.429 68.615 68.868 0.292 0.000 0.863 58 T HN 0.091 nan 8.240 nan 0.000 0.436 59 V N 1.534 121.569 119.914 0.201 0.000 2.358 59 V HA -0.107 4.011 4.120 -0.003 0.000 0.246 59 V C 2.733 179.013 176.094 0.311 0.000 1.047 59 V CA 1.373 63.835 62.300 0.269 0.000 1.035 59 V CB -0.581 31.392 31.823 0.250 0.000 0.658 59 V HN 0.319 nan 8.190 nan 0.000 0.452 60 R N 0.275 120.917 120.500 0.236 0.000 2.105 60 R HA -0.200 4.138 4.340 -0.003 0.000 0.239 60 R C 1.925 178.346 176.300 0.202 0.000 1.135 60 R CA 1.893 58.144 56.100 0.253 0.000 0.967 60 R CB -0.677 29.637 30.300 0.023 0.000 0.861 60 R HN 0.504 nan 8.270 nan 0.000 0.442 61 D N -0.410 120.093 120.400 0.171 0.000 2.190 61 D HA -0.169 4.469 4.640 -0.003 0.000 0.200 61 D C 1.677 178.012 176.300 0.058 0.000 0.992 61 D CA 1.047 55.118 54.000 0.119 0.000 0.854 61 D CB -0.353 40.508 40.800 0.102 0.000 0.936 61 D HN 0.439 nan 8.370 nan 0.000 0.462 62 H N -0.400 118.739 119.070 0.115 0.000 2.546 62 H HA 0.072 4.626 4.556 -0.003 0.000 0.277 62 H C 2.063 177.435 175.328 0.073 0.000 1.004 62 H CA 0.352 56.451 56.048 0.084 0.000 1.231 62 H CB 0.372 30.175 29.762 0.069 0.000 1.382 62 H HN 0.206 nan 8.280 nan 0.000 0.580 63 L N -0.394 120.939 121.223 0.183 0.000 2.270 63 L HA -0.068 4.270 4.340 -0.003 0.000 0.210 63 L C 2.462 179.441 176.870 0.182 0.000 1.104 63 L CA 0.106 55.015 54.840 0.115 0.000 0.804 63 L CB 0.026 42.102 42.059 0.028 0.000 0.937 63 L HN 0.010 nan 8.230 nan 0.000 0.450 64 V N 0.284 120.327 119.914 0.215 0.000 2.261 64 V HA -0.226 3.892 4.120 -0.003 0.000 0.246 64 V C 2.633 178.853 176.094 0.209 0.000 1.047 64 V CA 2.160 64.627 62.300 0.280 0.000 1.015 64 V CB -1.299 30.644 31.823 0.199 0.000 0.642 64 V HN 0.551 nan 8.190 nan 0.000 0.446 65 G N -0.418 108.455 108.800 0.121 0.000 2.459 65 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.217 65 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.217 65 G C 1.755 176.707 174.900 0.087 0.000 1.183 65 G CA 0.980 46.126 45.100 0.076 0.000 0.776 65 G HN 0.418 nan 8.290 nan 0.000 0.552 66 R N -1.430 119.129 120.500 0.099 0.000 2.096 66 R HA -0.104 4.234 4.340 -0.003 0.000 0.235 66 R C 2.265 178.660 176.300 0.158 0.000 1.127 66 R CA 1.241 57.390 56.100 0.083 0.000 0.968 66 R CB -0.362 29.971 30.300 0.054 0.000 0.861 66 R HN 0.501 nan 8.270 nan 0.000 0.440 67 W N 1.374 122.669 121.300 -0.008 0.000 2.335 67 W HA -0.124 4.534 4.660 -0.003 0.000 0.311 67 W C 1.721 178.235 176.519 -0.008 0.000 1.213 67 W CA 1.097 58.440 57.345 -0.002 0.000 1.274 67 W CB -0.655 28.820 29.460 0.026 0.000 1.148 67 W HN -0.010 nan 8.180 nan 0.000 0.498 68 I N -0.015 120.621 120.570 0.110 0.000 2.179 68 I HA -0.316 3.853 4.170 -0.003 0.000 0.242 68 I C 2.661 178.769 176.117 -0.016 0.000 1.088 68 I CA 1.487 62.767 61.300 -0.034 0.000 1.357 68 I CB -0.602 37.377 38.000 -0.034 0.000 1.051 68 I HN -0.121 nan 8.210 nan 0.000 0.409 69 R N -0.009 120.497 120.500 0.010 0.000 2.075 69 R HA -0.114 4.225 4.340 -0.003 0.000 0.232 69 R C 2.347 178.620 176.300 -0.044 0.000 1.126 69 R CA 1.870 57.963 56.100 -0.011 0.000 0.963 69 R CB -0.526 29.766 30.300 -0.014 0.000 0.858 69 R HN 0.340 nan 8.270 nan 0.000 0.435 70 T N 1.108 115.620 114.554 -0.069 0.000 2.684 70 T HA -0.144 4.204 4.350 -0.003 0.000 0.267 70 T C 1.766 176.246 174.700 -0.365 0.000 1.036 70 T CA 1.117 63.076 62.100 -0.235 0.000 1.148 70 T CB -0.088 68.697 68.868 -0.140 0.000 0.863 70 T HN 0.198 nan 8.240 nan 0.000 0.436 71 Q N 0.674 120.412 119.800 -0.103 0.000 2.172 71 Q HA -0.031 4.307 4.340 -0.003 0.000 0.200 71 Q C 2.319 178.357 176.000 0.064 0.000 0.964 71 Q CA 1.101 56.926 55.803 0.037 0.000 0.855 71 Q CB -0.459 28.316 28.738 0.061 0.000 0.918 71 Q HN 0.479 nan 8.270 nan 0.000 0.444 72 Q N 0.195 120.006 119.800 0.018 0.000 2.079 72 Q HA -0.180 4.159 4.340 -0.003 0.000 0.200 72 Q C 1.911 177.982 176.000 0.118 0.000 0.974 72 Q CA 1.830 57.670 55.803 0.062 0.000 0.840 72 Q CB -0.336 28.415 28.738 0.022 0.000 0.898 72 Q HN 0.550 nan 8.270 nan 0.000 0.430 73 H N -0.999 118.032 119.070 -0.066 0.000 2.319 73 H HA -0.186 4.368 4.556 -0.003 0.000 0.299 73 H C 1.147 176.502 175.328 0.044 0.000 1.092 73 H CA 2.309 58.314 56.048 -0.072 0.000 1.302 73 H CB -0.309 29.329 29.762 -0.207 0.000 1.373 73 H HN 0.362 nan 8.280 nan 0.000 0.497 74 Y N -1.087 119.236 120.300 0.038 0.000 2.293 74 Y HA -0.170 4.378 4.550 -0.003 0.000 0.291 74 Y C 2.457 178.360 175.900 0.006 0.000 1.137 74 Y CA 1.049 59.141 58.100 -0.013 0.000 1.202 74 Y CB -1.335 37.199 38.460 0.123 0.000 0.990 74 Y HN 0.357 nan 8.280 nan 0.000 0.537 75 Y N 1.039 121.403 120.300 0.106 0.000 2.181 75 Y HA -0.211 4.338 4.550 -0.003 0.000 0.288 75 Y C 2.105 178.000 175.900 -0.008 0.000 1.146 75 Y CA 1.925 60.048 58.100 0.039 0.000 1.164 75 Y CB -0.188 38.285 38.460 0.022 0.000 0.982 75 Y HN 0.172 nan 8.280 nan 0.000 0.515 76 E N -0.047 120.188 120.200 0.058 0.000 2.028 76 E HA -0.200 4.148 4.350 -0.003 0.000 0.190 76 E C 2.146 178.670 176.600 -0.126 0.000 0.984 76 E CA 1.110 57.492 56.400 -0.031 0.000 0.800 76 E CB -0.191 29.536 29.700 0.046 0.000 0.758 76 E HN 0.282 nan 8.360 nan 0.000 0.448 77 K N 1.122 121.416 120.400 -0.176 0.000 2.283 77 K HA -0.162 4.157 4.320 -0.003 0.000 0.202 77 K C -0.041 176.485 176.600 -0.123 0.000 1.048 77 K CA 0.930 57.112 56.287 -0.174 0.000 0.948 77 K CB 0.022 32.340 32.500 -0.304 0.000 0.742 77 K HN -0.030 nan 8.250 nan 0.000 0.458 78 D N 0.858 121.182 120.400 -0.126 0.000 2.697 78 D HA -0.111 4.527 4.640 -0.003 0.000 0.235 78 D C -2.413 173.844 176.300 -0.072 0.000 1.167 78 D CA 0.229 54.159 54.000 -0.117 0.000 0.656 78 D CB -0.090 40.609 40.800 -0.167 0.000 1.025 78 D HN 0.276 nan 8.370 nan 0.000 0.419 79 P HA 0.095 nan 4.420 nan 0.000 0.276 79 P C -0.089 177.174 177.300 -0.062 0.000 1.261 79 P CA -0.569 62.502 63.100 -0.049 0.000 0.800 79 P CB 0.627 32.298 31.700 -0.048 0.000 1.066 80 K N 1.288 121.657 120.400 -0.052 0.000 2.451 80 K HA 0.036 4.354 4.320 -0.003 0.000 0.280 80 K C -0.002 176.528 176.600 -0.115 0.000 1.020 80 K CA 0.091 56.343 56.287 -0.059 0.000 1.008 80 K CB 0.219 32.703 32.500 -0.027 0.000 0.917 80 K HN 0.313 nan 8.250 nan 0.000 0.478 81 R N 4.049 124.470 120.500 -0.133 0.000 2.346 81 R HA 0.344 4.682 4.340 -0.003 0.000 0.311 81 R C -0.496 175.594 176.300 -0.350 0.000 0.983 81 R CA -0.860 55.096 56.100 -0.240 0.000 0.880 81 R CB 0.960 31.106 30.300 -0.258 0.000 1.100 81 R HN 0.483 nan 8.270 nan 0.000 0.453 82 I N 4.101 124.403 120.570 -0.446 0.000 2.321 82 I HA 0.206 4.374 4.170 -0.003 0.000 0.291 82 I C -0.572 175.289 176.117 -0.428 0.000 0.998 82 I CA -0.844 60.136 61.300 -0.533 0.000 1.227 82 I CB 0.619 38.131 38.000 -0.813 0.000 1.368 82 I HN 0.520 nan 8.210 nan 0.000 0.466 83 Y N 5.996 126.260 120.300 -0.060 0.000 2.369 83 Y HA 0.280 4.829 4.550 -0.003 0.000 0.337 83 Y C -0.268 175.731 175.900 0.165 0.000 0.961 83 Y CA -0.642 57.540 58.100 0.136 0.000 1.186 83 Y CB 1.141 39.628 38.460 0.045 0.000 1.139 83 Y HN 0.407 nan 8.280 nan 0.000 0.494 84 Y N 4.727 125.205 120.300 0.297 0.000 2.504 84 Y HA 0.469 5.018 4.550 -0.003 0.000 0.339 84 Y C -1.245 174.930 175.900 0.459 0.000 0.974 84 Y CA -1.018 57.272 58.100 0.316 0.000 1.232 84 Y CB 0.210 38.852 38.460 0.303 0.000 1.108 84 Y HN 0.508 nan 8.280 nan 0.000 0.509 85 L N 4.776 126.063 121.223 0.107 0.000 2.281 85 L HA 0.474 4.812 4.340 -0.003 0.000 0.285 85 L C -0.082 176.820 176.870 0.055 0.000 1.074 85 L CA 0.204 55.164 54.840 0.200 0.000 0.817 85 L CB 1.286 43.428 42.059 0.138 0.000 1.168 85 L HN 0.555 nan 8.230 nan 0.000 0.434 86 S N 2.506 118.338 115.700 0.220 0.000 2.533 86 S HA 0.462 4.930 4.470 -0.003 0.000 0.271 86 S C 0.319 175.044 174.600 0.208 0.000 1.143 86 S CA -0.618 57.611 58.200 0.049 0.000 0.891 86 S CB 1.012 63.998 63.200 -0.356 0.000 1.105 86 S HN 0.486 nan 8.310 nan 0.000 0.468 87 L N 2.467 123.836 121.223 0.244 0.000 2.599 87 L HA 0.368 4.706 4.340 -0.003 0.000 0.230 87 L C 0.240 177.322 176.870 0.354 0.000 1.141 87 L CA 1.212 56.254 54.840 0.337 0.000 0.877 87 L CB -0.864 41.399 42.059 0.341 0.000 1.009 87 L HN 0.698 nan 8.230 nan 0.000 0.447 88 E N -0.923 119.357 120.200 0.134 0.000 2.275 88 E HA 0.369 4.717 4.350 -0.003 0.000 0.270 88 E C -1.509 174.966 176.600 -0.208 0.000 0.882 88 E CA -0.375 56.078 56.400 0.089 0.000 0.758 88 E CB 2.058 31.772 29.700 0.024 0.000 1.195 88 E HN -0.154 nan 8.360 nan 0.000 0.419 89 F N 2.271 122.335 119.950 0.190 0.000 2.771 89 F HA 0.178 4.703 4.527 -0.003 0.000 0.365 89 F C -0.727 175.164 175.800 0.152 0.000 1.169 89 F CA -0.723 57.375 58.000 0.163 0.000 1.093 89 F CB 0.880 39.965 39.000 0.142 0.000 1.363 89 F HN 0.497 nan 8.300 nan 0.000 0.496 90 Y N 5.114 125.481 120.300 0.112 0.000 2.667 90 Y HA 0.193 4.741 4.550 -0.003 0.000 0.340 90 Y C 1.043 176.959 175.900 0.027 0.000 1.303 90 Y CA -0.880 57.240 58.100 0.034 0.000 1.769 90 Y CB 0.213 38.681 38.460 0.013 0.000 1.804 90 Y HN 0.540 nan 8.280 nan 0.000 0.451 91 M N 0.785 120.485 119.600 0.166 0.000 2.288 91 M HA 0.104 4.582 4.480 -0.003 0.000 0.266 91 M C 1.570 177.819 176.300 -0.085 0.000 1.072 91 M CA 1.096 56.415 55.300 0.032 0.000 1.132 91 M CB -1.137 31.469 32.600 0.010 0.000 1.386 91 M HN 0.635 nan 8.290 nan 0.000 0.432 92 G N 1.140 109.884 108.800 -0.094 0.000 2.553 92 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.242 92 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.242 92 G C -0.239 174.592 174.900 -0.114 0.000 1.277 92 G CA -0.292 44.719 45.100 -0.149 0.000 0.910 92 G HN 0.425 nan 8.290 nan 0.000 0.576 93 R N -1.062 119.355 120.500 -0.140 0.000 2.583 93 R HA 0.628 4.967 4.340 -0.003 0.000 0.268 93 R C 1.035 177.199 176.300 -0.228 0.000 1.101 93 R CA 0.258 56.289 56.100 -0.114 0.000 1.180 93 R CB 0.643 30.888 30.300 -0.092 0.000 1.128 93 R HN 0.527 nan 8.270 nan 0.000 0.568 94 T N 0.354 114.720 114.554 -0.313 0.000 2.964 94 T HA 0.008 4.356 4.350 -0.003 0.000 0.250 94 T C 1.337 175.611 174.700 -0.710 0.000 0.982 94 T CA -0.192 61.485 62.100 -0.706 0.000 0.959 94 T CB 0.166 68.182 68.868 -1.420 0.000 1.141 94 T HN 0.318 nan 8.240 nan 0.000 0.494 95 L N 2.054 123.116 121.223 -0.268 0.000 1.989 95 L HA -0.017 4.321 4.340 -0.003 0.000 0.211 95 L C 2.415 179.250 176.870 -0.058 0.000 1.071 95 L CA 2.083 56.940 54.840 0.027 0.000 0.749 95 L CB -0.648 41.643 42.059 0.387 0.000 0.890 95 L HN 0.196 nan 8.230 nan 0.000 0.431 96 Q N -0.691 119.067 119.800 -0.070 0.000 2.046 96 Q HA -0.250 4.088 4.340 -0.003 0.000 0.200 96 Q C 2.257 178.182 176.000 -0.125 0.000 0.975 96 Q CA 1.851 57.608 55.803 -0.077 0.000 0.836 96 Q CB -0.357 28.333 28.738 -0.080 0.000 0.896 96 Q HN 0.717 nan 8.270 nan 0.000 0.428 97 N N -0.985 117.599 118.700 -0.194 0.000 2.094 97 N HA -0.168 4.571 4.740 -0.003 0.000 0.191 97 N C 1.395 176.796 175.510 -0.182 0.000 1.023 97 N CA 1.911 54.838 53.050 -0.205 0.000 0.857 97 N CB 0.007 38.335 38.487 -0.265 0.000 1.013 97 N HN 0.250 nan 8.380 nan 0.000 0.426 98 T N 1.336 115.745 114.554 -0.242 0.000 2.708 98 T HA -0.078 4.270 4.350 -0.003 0.000 0.266 98 T C 2.086 176.727 174.700 -0.098 0.000 1.037 98 T CA 1.218 63.202 62.100 -0.192 0.000 1.146 98 T CB -0.105 68.618 68.868 -0.242 0.000 0.865 98 T HN 0.273 nan 8.240 nan 0.000 0.435 99 M N 0.598 120.155 119.600 -0.072 0.000 2.117 99 M HA -0.093 4.385 4.480 -0.003 0.000 0.262 99 M C 2.498 178.767 176.300 -0.053 0.000 1.065 99 M CA 1.264 56.534 55.300 -0.051 0.000 1.114 99 M CB -0.695 31.891 32.600 -0.024 0.000 1.361 99 M HN 0.097 nan 8.290 nan 0.000 0.408 100 V N 1.005 120.896 119.914 -0.038 0.000 2.255 100 V HA -0.293 3.825 4.120 -0.003 0.000 0.247 100 V C 1.983 178.096 176.094 0.032 0.000 1.051 100 V CA 1.872 64.182 62.300 0.016 0.000 1.018 100 V CB -0.873 30.964 31.823 0.022 0.000 0.641 100 V HN 0.506 nan 8.190 nan 0.000 0.445 101 N N -0.169 118.532 118.700 0.001 0.000 2.396 101 N HA 0.014 4.752 4.740 -0.003 0.000 0.180 101 N C 1.411 176.826 175.510 -0.159 0.000 1.028 101 N CA 0.967 53.997 53.050 -0.032 0.000 0.893 101 N CB 0.074 38.552 38.487 -0.014 0.000 0.967 101 N HN 0.431 nan 8.380 nan 0.000 0.440 102 L N 0.113 121.260 121.223 -0.126 0.000 2.693 102 L HA 0.312 4.650 4.340 -0.003 0.000 0.235 102 L C 0.624 177.409 176.870 -0.143 0.000 1.127 102 L CA -0.194 54.570 54.840 -0.127 0.000 0.914 102 L CB 0.070 42.080 42.059 -0.083 0.000 1.193 102 L HN -0.080 nan 8.230 nan 0.000 0.502 103 A N 0.620 123.350 122.820 -0.151 0.000 2.791 103 A HA -0.208 4.110 4.320 -0.003 0.000 0.292 103 A C 0.842 178.366 177.584 -0.100 0.000 1.487 103 A CA 0.937 52.899 52.037 -0.125 0.000 0.760 103 A CB -2.028 16.885 19.000 -0.144 0.000 1.031 103 A HN 0.444 nan 8.150 nan 0.000 0.503 104 L N -1.572 119.592 121.223 -0.099 0.000 2.766 104 L HA 0.173 4.512 4.340 -0.003 0.000 0.242 104 L C 1.903 178.735 176.870 -0.064 0.000 1.136 104 L CA 0.706 55.480 54.840 -0.110 0.000 0.933 104 L CB 0.113 42.067 42.059 -0.174 0.000 1.241 104 L HN 0.644 nan 8.230 nan 0.000 0.522 105 E N 1.182 121.356 120.200 -0.044 0.000 2.031 105 E HA -0.237 4.112 4.350 -0.003 0.000 0.193 105 E C 1.655 178.243 176.600 -0.019 0.000 0.994 105 E CA 1.764 58.150 56.400 -0.023 0.000 0.800 105 E CB 0.112 29.802 29.700 -0.016 0.000 0.752 105 E HN 0.500 nan 8.360 nan 0.000 0.447 106 N N -0.479 118.207 118.700 -0.023 0.000 2.120 106 N HA -0.174 4.564 4.740 -0.003 0.000 0.188 106 N C 1.788 177.285 175.510 -0.021 0.000 1.024 106 N CA 0.780 53.816 53.050 -0.023 0.000 0.852 106 N CB -0.108 38.364 38.487 -0.024 0.000 1.003 106 N HN 0.177 nan 8.380 nan 0.000 0.424 107 A N 0.450 123.254 122.820 -0.026 0.000 1.877 107 A HA -0.152 4.167 4.320 -0.003 0.000 0.216 107 A C 2.433 180.011 177.584 -0.010 0.000 1.186 107 A CA 1.074 53.099 52.037 -0.021 0.000 0.620 107 A CB -0.875 18.105 19.000 -0.035 0.000 0.822 107 A HN 0.466 nan 8.150 nan 0.000 0.443 108 C N -0.851 118.443 119.300 -0.010 0.000 2.440 108 C HA -0.055 4.403 4.460 -0.003 0.000 0.278 108 C C 2.468 177.463 174.990 0.008 0.000 1.295 108 C CA 1.073 60.096 59.018 0.010 0.000 1.738 108 C CB -1.075 26.681 27.740 0.027 0.000 1.987 108 C HN 0.705 nan 8.230 nan 0.000 0.492 109 D N 0.789 121.193 120.400 0.006 0.000 2.117 109 D HA -0.150 4.488 4.640 -0.003 0.000 0.197 109 D C 2.113 178.429 176.300 0.026 0.000 0.987 109 D CA 1.547 55.553 54.000 0.011 0.000 0.829 109 D CB -0.241 40.555 40.800 -0.007 0.000 0.961 109 D HN 0.475 nan 8.370 nan 0.000 0.460 110 E N 0.154 120.363 120.200 0.015 0.000 2.047 110 E HA -0.046 4.302 4.350 -0.003 0.000 0.191 110 E C 1.896 178.533 176.600 0.061 0.000 0.987 110 E CA 1.564 57.992 56.400 0.047 0.000 0.799 110 E CB -0.578 29.132 29.700 0.018 0.000 0.752 110 E HN 0.218 nan 8.360 nan 0.000 0.449 111 A N -0.038 122.786 122.820 0.006 0.000 1.883 111 A HA -0.234 4.084 4.320 -0.003 0.000 0.217 111 A C 2.512 180.018 177.584 -0.131 0.000 1.186 111 A CA 3.006 55.017 52.037 -0.044 0.000 0.624 111 A CB -1.544 17.436 19.000 -0.034 0.000 0.822 111 A HN 0.528 nan 8.150 nan 0.000 0.444 112 T N -3.460 111.012 114.554 -0.136 0.000 2.777 112 T HA -0.235 4.114 4.350 -0.003 0.000 0.266 112 T C 1.855 176.468 174.700 -0.145 0.000 1.040 112 T CA 1.532 63.492 62.100 -0.232 0.000 1.141 112 T CB -0.694 68.086 68.868 -0.147 0.000 0.868 112 T HN 0.504 nan 8.240 nan 0.000 0.444 113 Y N 2.161 122.381 120.300 -0.134 0.000 2.114 113 Y HA -0.213 4.335 4.550 -0.002 0.000 0.282 113 Y C 2.781 178.616 175.900 -0.108 0.000 1.165 113 Y CA 1.872 59.912 58.100 -0.100 0.000 1.148 113 Y CB -0.421 38.000 38.460 -0.065 0.000 0.972 113 Y HN 0.231 nan 8.280 nan 0.000 0.504 114 Q N -0.050 119.661 119.800 -0.148 0.000 2.170 114 Q HA -0.165 4.173 4.340 -0.003 0.000 0.203 114 Q C 2.007 177.854 176.000 -0.255 0.000 0.976 114 Q CA 1.624 57.301 55.803 -0.211 0.000 0.858 114 Q CB -0.164 28.533 28.738 -0.068 0.000 0.907 114 Q HN 0.551 nan 8.270 nan 0.000 0.433 115 L N -0.816 120.241 121.223 -0.277 0.000 2.610 115 L HA 0.097 4.435 4.340 -0.003 0.000 0.232 115 L C 1.029 177.711 176.870 -0.313 0.000 1.149 115 L CA 0.395 55.048 54.840 -0.312 0.000 0.872 115 L CB -0.094 41.678 42.059 -0.478 0.000 0.992 115 L HN 0.368 nan 8.230 nan 0.000 0.447 116 G N 0.607 109.210 108.800 -0.328 0.000 2.149 116 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.235 116 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.235 116 G C -0.190 174.579 174.900 -0.219 0.000 1.018 116 G CA -0.209 44.719 45.100 -0.286 0.000 0.728 116 G HN 0.225 nan 8.290 nan 0.000 0.508 117 L N -0.163 120.932 121.223 -0.214 0.000 2.354 117 L HA 0.599 4.937 4.340 -0.003 0.000 0.269 117 L C -0.623 176.231 176.870 -0.027 0.000 1.005 117 L CA -1.182 53.577 54.840 -0.136 0.000 0.819 117 L CB 1.944 43.867 42.059 -0.225 0.000 1.311 117 L HN 0.079 nan 8.230 nan 0.000 0.423 118 D N 2.291 122.705 120.400 0.023 0.000 2.396 118 D HA 0.163 4.801 4.640 -0.003 0.000 0.225 118 D C 0.678 177.015 176.300 0.063 0.000 1.121 118 D CA -0.195 53.840 54.000 0.059 0.000 0.853 118 D CB 1.445 42.283 40.800 0.062 0.000 1.043 118 D HN 0.516 nan 8.370 nan 0.000 0.500 119 M N 3.167 122.803 119.600 0.060 0.000 2.202 119 M HA -0.157 4.321 4.480 -0.003 0.000 0.262 119 M C 1.256 177.602 176.300 0.078 0.000 1.063 119 M CA 1.550 56.894 55.300 0.074 0.000 1.097 119 M CB 0.221 32.856 32.600 0.059 0.000 1.382 119 M HN 0.404 nan 8.290 nan 0.000 0.413 120 E N -0.133 120.101 120.200 0.058 0.000 2.150 120 E HA -0.196 4.153 4.350 -0.003 0.000 0.193 120 E C 1.817 178.448 176.600 0.052 0.000 0.985 120 E CA 1.232 57.660 56.400 0.048 0.000 0.814 120 E CB -0.095 29.628 29.700 0.038 0.000 0.752 120 E HN 0.660 nan 8.360 nan 0.000 0.466 121 E N 0.651 120.888 120.200 0.061 0.000 2.110 121 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 121 E C 2.216 178.857 176.600 0.069 0.000 0.988 121 E CA 0.688 57.124 56.400 0.061 0.000 0.804 121 E CB -0.014 29.727 29.700 0.069 0.000 0.745 121 E HN 0.266 nan 8.360 nan 0.000 0.458 122 L N 0.761 122.049 121.223 0.108 0.000 2.093 122 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 122 L C 2.237 179.169 176.870 0.102 0.000 1.085 122 L CA 1.146 56.085 54.840 0.164 0.000 0.755 122 L CB -0.451 41.759 42.059 0.252 0.000 0.904 122 L HN 0.108 nan 8.230 nan 0.000 0.435 123 E N -0.008 120.240 120.200 0.081 0.000 2.160 123 E HA -0.203 4.145 4.350 -0.003 0.000 0.195 123 E C 1.914 178.459 176.600 -0.093 0.000 0.991 123 E CA 0.810 57.223 56.400 0.021 0.000 0.810 123 E CB 0.031 29.750 29.700 0.033 0.000 0.742 123 E HN 0.377 nan 8.360 nan 0.000 0.466 124 E N 0.260 120.423 120.200 -0.060 0.000 2.409 124 E HA -0.104 4.244 4.350 -0.003 0.000 0.198 124 E C 1.833 178.353 176.600 -0.132 0.000 1.024 124 E CA 0.534 56.896 56.400 -0.062 0.000 0.861 124 E CB 0.021 29.722 29.700 0.001 0.000 0.788 124 E HN 0.421 nan 8.360 nan 0.000 0.521 125 I N 0.768 121.188 120.570 -0.250 0.000 2.617 125 I HA -0.101 4.067 4.170 -0.003 0.000 0.256 125 I C 1.381 177.176 176.117 -0.536 0.000 1.167 125 I CA 0.262 61.349 61.300 -0.354 0.000 1.469 125 I CB 0.082 37.884 38.000 -0.331 0.000 1.098 125 I HN -0.036 nan 8.210 nan 0.000 0.436 126 E N 2.728 122.482 120.200 -0.743 0.000 2.376 126 E HA -0.014 4.334 4.350 -0.003 0.000 0.266 126 E C -0.240 176.274 176.600 -0.144 0.000 1.009 126 E CA -0.301 55.748 56.400 -0.585 0.000 0.902 126 E CB 0.637 30.085 29.700 -0.420 0.000 0.972 126 E HN 0.086 nan 8.360 nan 0.000 0.439 127 E N 3.473 123.692 120.200 0.033 0.000 2.373 127 E HA 0.047 4.395 4.350 -0.003 0.000 0.267 127 E C -0.791 175.920 176.600 0.185 0.000 1.032 127 E CA -0.148 56.354 56.400 0.170 0.000 0.889 127 E CB 0.676 30.573 29.700 0.328 0.000 0.984 127 E HN 0.496 nan 8.360 nan 0.000 0.425 128 D N 0.882 121.355 120.400 0.122 0.000 2.455 128 D HA 0.108 4.747 4.640 -0.003 0.000 0.241 128 D C -0.192 176.143 176.300 0.059 0.000 1.138 128 D CA 0.247 54.284 54.000 0.061 0.000 0.877 128 D CB 0.529 41.335 40.800 0.010 0.000 1.187 128 D HN 0.384 nan 8.370 nan 0.000 0.451 129 A N 2.630 125.426 122.820 -0.041 0.000 2.906 129 A HA 0.429 4.747 4.320 -0.003 0.000 0.289 129 A C 1.091 178.498 177.584 -0.294 0.000 1.675 129 A CA -0.359 51.430 52.037 -0.413 0.000 1.372 129 A CB -0.498 18.343 19.000 -0.266 0.000 1.091 129 A HN 0.544 nan 8.150 nan 0.000 0.579 130 G N 1.630 110.247 108.800 -0.304 0.000 3.581 130 G HA2 0.410 4.368 3.960 -0.003 0.000 0.255 130 G HA3 0.410 4.368 3.960 -0.003 0.000 0.255 130 G C 0.290 175.087 174.900 -0.172 0.000 1.121 130 G CA -0.303 44.778 45.100 -0.033 0.000 1.739 130 G HN 0.673 nan 8.290 nan 0.000 0.646 131 L N 1.370 122.511 121.223 -0.137 0.000 2.968 131 L HA 0.414 4.752 4.340 -0.003 0.000 0.235 131 L C 1.025 177.876 176.870 -0.030 0.000 1.323 131 L CA -0.293 54.530 54.840 -0.027 0.000 1.159 131 L CB -0.179 41.953 42.059 0.122 0.000 1.523 131 L HN 0.312 nan 8.230 nan 0.000 0.468 132 G N -1.327 107.242 108.800 -0.385 0.000 2.660 132 G HA2 0.206 4.164 3.960 -0.003 0.000 0.290 132 G HA3 0.206 4.164 3.960 -0.003 0.000 0.290 132 G C -0.171 174.172 174.900 -0.930 0.000 1.432 132 G CA -0.441 44.317 45.100 -0.571 0.000 0.807 132 G HN -0.083 nan 8.290 nan 0.000 0.485 133 N N -0.801 117.577 118.700 -0.538 0.000 2.368 133 N HA 0.203 4.942 4.740 -0.003 0.000 0.178 133 N C 1.142 176.543 175.510 -0.182 0.000 1.021 133 N CA 1.331 54.191 53.050 -0.316 0.000 0.875 133 N CB 1.100 39.556 38.487 -0.052 0.000 1.020 133 N HN 0.816 nan 8.380 nan 0.000 0.433 134 G N -0.849 107.930 108.800 -0.035 0.000 2.818 134 G HA2 0.228 4.186 3.960 -0.003 0.000 0.109 134 G HA3 0.228 4.186 3.960 -0.003 0.000 0.109 134 G C 0.677 175.725 174.900 0.246 0.000 1.206 134 G CA 0.228 45.482 45.100 0.257 0.000 1.243 134 G HN 0.152 nan 8.290 nan 0.000 0.609 135 G N 0.303 109.184 108.800 0.135 0.000 2.446 135 G HA2 -0.063 3.895 3.960 -0.003 0.000 0.217 135 G HA3 -0.063 3.895 3.960 -0.003 0.000 0.217 135 G C 1.878 176.775 174.900 -0.006 0.000 1.168 135 G CA 1.465 46.602 45.100 0.062 0.000 0.771 135 G HN 0.775 nan 8.290 nan 0.000 0.551 136 L N 0.621 121.802 121.223 -0.071 0.000 2.046 136 L HA 0.075 4.413 4.340 -0.003 0.000 0.208 136 L C 2.811 179.600 176.870 -0.135 0.000 1.077 136 L CA 1.987 56.685 54.840 -0.238 0.000 0.747 136 L CB -0.554 41.301 42.059 -0.340 0.000 0.896 136 L HN 0.237 nan 8.230 nan 0.000 0.432 137 G N -0.640 108.141 108.800 -0.032 0.000 2.408 137 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.217 137 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.217 137 G C 1.638 176.615 174.900 0.129 0.000 1.150 137 G CA 0.687 45.793 45.100 0.011 0.000 0.776 137 G HN 0.297 nan 8.290 nan 0.000 0.542 138 R N -0.014 120.617 120.500 0.218 0.000 2.115 138 R HA 0.144 4.482 4.340 -0.003 0.000 0.226 138 R C 2.305 178.626 176.300 0.035 0.000 1.100 138 R CA 0.731 56.935 56.100 0.173 0.000 0.980 138 R CB -0.892 29.490 30.300 0.137 0.000 0.875 138 R HN 0.323 nan 8.270 nan 0.000 0.445 139 L N 0.259 121.427 121.223 -0.092 0.000 2.012 139 L HA -0.048 4.290 4.340 -0.003 0.000 0.210 139 L C 2.104 178.676 176.870 -0.497 0.000 1.073 139 L CA 2.231 56.861 54.840 -0.349 0.000 0.748 139 L CB -0.923 40.881 42.059 -0.424 0.000 0.891 139 L HN 0.262 nan 8.230 nan 0.000 0.431 140 A N -0.618 122.043 122.820 -0.265 0.000 1.917 140 A HA -0.210 4.108 4.320 -0.003 0.000 0.219 140 A C 2.443 180.072 177.584 0.076 0.000 1.182 140 A CA 2.133 54.089 52.037 -0.135 0.000 0.633 140 A CB -1.221 17.649 19.000 -0.217 0.000 0.819 140 A HN 0.588 nan 8.150 nan 0.000 0.448 141 A N -1.097 121.803 122.820 0.134 0.000 1.873 141 A HA -0.157 4.161 4.320 -0.003 0.000 0.215 141 A C 2.326 179.993 177.584 0.138 0.000 1.186 141 A CA 1.656 53.807 52.037 0.189 0.000 0.616 141 A CB -1.300 17.800 19.000 0.166 0.000 0.823 141 A HN 0.615 nan 8.150 nan 0.000 0.442 142 C N -1.461 117.921 119.300 0.137 0.000 2.425 142 C HA -0.073 4.385 4.460 -0.003 0.000 0.277 142 C C 2.429 177.589 174.990 0.284 0.000 1.280 142 C CA 0.627 59.766 59.018 0.201 0.000 1.744 142 C CB -1.652 26.233 27.740 0.242 0.000 1.989 142 C HN 0.598 nan 8.230 nan 0.000 0.491 143 F N 0.572 120.508 119.950 -0.023 0.000 2.134 143 F HA -0.082 4.443 4.527 -0.003 0.000 0.299 143 F C 2.129 177.873 175.800 -0.094 0.000 1.097 143 F CA 1.056 58.986 58.000 -0.117 0.000 1.264 143 F CB -1.404 37.373 39.000 -0.372 0.000 1.001 143 F HN 0.090 nan 8.300 nan 0.000 0.479 144 L N 0.336 121.643 121.223 0.141 0.000 2.012 144 L HA -0.245 4.093 4.340 -0.003 0.000 0.210 144 L C 2.412 179.301 176.870 0.032 0.000 1.073 144 L CA 1.955 56.836 54.840 0.068 0.000 0.748 144 L CB -1.217 40.894 42.059 0.086 0.000 0.891 144 L HN 0.197 nan 8.230 nan 0.000 0.431 145 D N -1.264 119.165 120.400 0.048 0.000 2.104 145 D HA -0.176 4.463 4.640 -0.003 0.000 0.194 145 D C 1.942 178.264 176.300 0.036 0.000 0.994 145 D CA 1.660 55.673 54.000 0.023 0.000 0.830 145 D CB 0.391 41.202 40.800 0.018 0.000 0.959 145 D HN 0.306 nan 8.370 nan 0.000 0.452 146 S N -0.147 115.591 115.700 0.064 0.000 2.383 146 S HA -0.068 4.400 4.470 -0.003 0.000 0.227 146 S C 2.120 176.737 174.600 0.028 0.000 1.026 146 S CA 0.746 58.975 58.200 0.050 0.000 0.981 146 S CB -0.106 63.131 63.200 0.061 0.000 0.818 146 S HN 0.344 nan 8.310 nan 0.000 0.472 147 M N 0.832 120.441 119.600 0.015 0.000 2.175 147 M HA -0.076 4.402 4.480 -0.003 0.000 0.264 147 M C 2.408 178.712 176.300 0.007 0.000 1.063 147 M CA 1.298 56.603 55.300 0.008 0.000 1.119 147 M CB -0.459 32.125 32.600 -0.027 0.000 1.377 147 M HN 0.394 nan 8.290 nan 0.000 0.415 148 A N -0.308 122.514 122.820 0.004 0.000 1.897 148 A HA -0.107 4.212 4.320 -0.003 0.000 0.215 148 A C 2.148 179.755 177.584 0.038 0.000 1.181 148 A CA 1.908 53.955 52.037 0.017 0.000 0.620 148 A CB -0.997 17.999 19.000 -0.007 0.000 0.821 148 A HN 0.398 nan 8.150 nan 0.000 0.443 149 T N 0.311 114.890 114.554 0.042 0.000 2.915 149 T HA 0.013 4.361 4.350 -0.003 0.000 0.269 149 T C 1.317 176.051 174.700 0.057 0.000 1.071 149 T CA 1.003 63.139 62.100 0.060 0.000 1.132 149 T CB -0.254 68.657 68.868 0.072 0.000 0.878 149 T HN 0.330 nan 8.240 nan 0.000 0.479 150 L N 0.506 121.760 121.223 0.052 0.000 2.629 150 L HA 0.283 4.622 4.340 -0.003 0.000 0.230 150 L C 1.646 178.557 176.870 0.068 0.000 1.151 150 L CA -0.019 54.854 54.840 0.056 0.000 0.924 150 L CB -0.482 41.609 42.059 0.053 0.000 1.137 150 L HN 0.409 nan 8.230 nan 0.000 0.457 151 G N 1.145 109.991 108.800 0.078 0.000 2.249 151 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.273 151 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.273 151 G C 0.134 175.110 174.900 0.127 0.000 1.036 151 G CA 0.052 45.225 45.100 0.122 0.000 0.824 151 G HN 0.296 nan 8.290 nan 0.000 0.504 152 L N -0.134 121.117 121.223 0.047 0.000 2.350 152 L HA 0.598 4.937 4.340 -0.003 0.000 0.275 152 L C 1.242 177.948 176.870 -0.273 0.000 1.099 152 L CA -0.334 54.470 54.840 -0.060 0.000 0.808 152 L CB 1.558 43.596 42.059 -0.035 0.000 1.149 152 L HN 0.250 nan 8.230 nan 0.000 0.442 153 A N 3.140 125.632 122.820 -0.547 0.000 3.026 153 A HA 0.535 4.854 4.320 -0.003 0.000 0.272 153 A C 0.356 177.557 177.584 -0.640 0.000 1.782 153 A CA -0.145 51.242 52.037 -1.083 0.000 1.451 153 A CB -0.705 17.661 19.000 -1.056 0.000 1.081 153 A HN 0.698 nan 8.150 nan 0.000 0.611 154 A N 1.344 123.783 122.820 -0.635 0.000 2.337 154 A HA 0.752 5.070 4.320 -0.003 0.000 0.329 154 A C -1.092 176.121 177.584 -0.619 0.000 1.146 154 A CA -0.433 51.320 52.037 -0.473 0.000 0.800 154 A CB 0.699 19.517 19.000 -0.303 0.000 1.220 154 A HN 0.591 nan 8.150 nan 0.000 0.472 155 Y N 0.975 121.177 120.300 -0.163 0.000 2.349 155 Y HA 0.477 5.026 4.550 -0.003 0.000 0.324 155 Y C 0.963 176.978 175.900 0.191 0.000 1.005 155 Y CA -0.450 57.648 58.100 -0.003 0.000 1.240 155 Y CB 2.014 40.517 38.460 0.072 0.000 1.117 155 Y HN 0.853 nan 8.280 nan 0.000 0.463 156 G N 2.507 111.404 108.800 0.162 0.000 2.378 156 G HA2 0.304 4.262 3.960 -0.003 0.000 0.255 156 G HA3 0.304 4.262 3.960 -0.003 0.000 0.255 156 G C -1.449 173.478 174.900 0.044 0.000 1.270 156 G CA 0.054 45.276 45.100 0.205 0.000 0.876 156 G HN 0.551 nan 8.290 nan 0.000 0.521 157 Y N 1.041 121.553 120.300 0.353 0.000 2.373 157 Y HA 0.594 5.143 4.550 -0.003 0.000 0.336 157 Y C 0.703 176.913 175.900 0.517 0.000 0.979 157 Y CA 0.175 58.465 58.100 0.317 0.000 1.080 157 Y CB 2.643 41.337 38.460 0.390 0.000 1.190 157 Y HN 0.904 nan 8.280 nan 0.000 0.446 158 G N 2.371 111.485 108.800 0.525 0.000 2.753 158 G HA2 0.605 4.564 3.960 -0.003 0.000 0.303 158 G HA3 0.605 4.564 3.960 -0.003 0.000 0.303 158 G C -1.788 173.362 174.900 0.416 0.000 1.242 158 G CA -0.826 44.631 45.100 0.595 0.000 0.810 158 G HN 0.419 nan 8.290 nan 0.000 0.515 159 I N 0.569 121.288 120.570 0.248 0.000 2.474 159 I HA 0.426 4.594 4.170 -0.003 0.000 0.294 159 I C 0.272 176.323 176.117 -0.110 0.000 1.005 159 I CA -0.731 60.612 61.300 0.073 0.000 1.113 159 I CB 2.246 40.118 38.000 -0.214 0.000 1.289 159 I HN 0.363 nan 8.210 nan 0.000 0.436 160 R N 6.101 126.631 120.500 0.050 0.000 2.893 160 R HA 0.199 4.537 4.340 -0.003 0.000 0.243 160 R C -1.140 175.222 176.300 0.104 0.000 1.481 160 R CA -0.448 55.708 56.100 0.093 0.000 1.250 160 R CB -0.135 30.189 30.300 0.041 0.000 1.213 160 R HN 0.392 nan 8.270 nan 0.000 0.609 161 Y N 1.491 121.956 120.300 0.275 0.000 2.620 161 Y HA -0.129 4.419 4.550 -0.003 0.000 0.330 161 Y C 1.613 177.688 175.900 0.291 0.000 1.186 161 Y CA 0.283 58.531 58.100 0.246 0.000 1.467 161 Y CB 0.610 39.196 38.460 0.210 0.000 1.262 161 Y HN 0.587 nan 8.280 nan 0.000 0.550 162 E N 2.360 122.698 120.200 0.231 0.000 2.110 162 E HA -0.101 4.247 4.350 -0.003 0.000 0.193 162 E C -0.745 175.642 176.600 -0.355 0.000 0.988 162 E CA 0.809 57.098 56.400 -0.185 0.000 0.804 162 E CB 0.141 29.579 29.700 -0.436 0.000 0.745 162 E HN 0.510 nan 8.360 nan 0.000 0.458 163 F N -0.378 119.807 119.950 0.392 0.000 2.507 163 F HA 0.444 4.970 4.527 -0.003 0.000 0.328 163 F C 0.754 176.668 175.800 0.190 0.000 1.136 163 F CA -0.902 57.289 58.000 0.318 0.000 0.930 163 F CB 1.851 40.961 39.000 0.184 0.000 1.166 163 F HN -0.105 nan 8.300 nan 0.000 0.436 164 G N 1.728 110.671 108.800 0.239 0.000 2.546 164 G HA2 0.317 4.275 3.960 -0.003 0.000 0.239 164 G HA3 0.317 4.275 3.960 -0.003 0.000 0.239 164 G C -0.478 174.406 174.900 -0.027 0.000 1.476 164 G CA -0.680 44.402 45.100 -0.030 0.000 1.064 164 G HN 0.565 nan 8.290 nan 0.000 0.561 165 I N 1.094 121.584 120.570 -0.132 0.000 2.741 165 I HA 0.173 4.341 4.170 -0.003 0.000 0.288 165 I C 0.591 176.645 176.117 -0.104 0.000 1.192 165 I CA -1.092 60.111 61.300 -0.161 0.000 1.426 165 I CB -0.475 37.346 38.000 -0.297 0.000 1.367 165 I HN 0.331 nan 8.210 nan 0.000 0.563 166 F N 5.531 125.496 119.950 0.025 0.000 2.642 166 F HA 0.111 4.637 4.527 -0.003 0.000 0.371 166 F C 0.395 176.247 175.800 0.086 0.000 1.120 166 F CA -0.474 57.557 58.000 0.052 0.000 1.331 166 F CB -0.677 38.338 39.000 0.024 0.000 1.044 166 F HN 0.542 nan 8.300 nan 0.000 0.594 167 N N 2.643 121.488 118.700 0.241 0.000 2.475 167 N HA 0.037 4.776 4.740 -0.003 0.000 0.267 167 N C -0.732 174.989 175.510 0.351 0.000 1.169 167 N CA -0.517 52.652 53.050 0.198 0.000 0.947 167 N CB 0.544 39.149 38.487 0.197 0.000 1.061 167 N HN 0.700 nan 8.380 nan 0.000 0.466 168 Q N 2.736 122.701 119.800 0.276 0.000 2.274 168 Q HA 0.154 4.492 4.340 -0.003 0.000 0.256 168 Q C -1.010 175.158 176.000 0.281 0.000 0.927 168 Q CA -0.453 55.579 55.803 0.381 0.000 0.939 168 Q CB 0.583 29.532 28.738 0.353 0.000 1.201 168 Q HN 0.306 nan 8.270 nan 0.000 0.426 169 K N 4.241 124.791 120.400 0.249 0.000 2.207 169 K HA 0.464 4.782 4.320 -0.003 0.000 0.255 169 K C -0.568 176.136 176.600 0.174 0.000 0.941 169 K CA -0.818 55.588 56.287 0.199 0.000 0.825 169 K CB 1.528 34.124 32.500 0.159 0.000 1.119 169 K HN 0.618 nan 8.250 nan 0.000 0.430 170 I N 2.108 122.771 120.570 0.155 0.000 2.312 170 I HA 0.169 4.337 4.170 -0.003 0.000 0.290 170 I C -0.004 176.174 176.117 0.101 0.000 1.008 170 I CA -0.740 60.623 61.300 0.104 0.000 1.226 170 I CB 0.848 38.893 38.000 0.075 0.000 1.371 170 I HN 0.497 nan 8.210 nan 0.000 0.468 171 C N 5.240 124.610 119.300 0.117 0.000 2.381 171 C HA 0.665 5.123 4.460 -0.003 0.000 0.328 171 C C 1.132 176.229 174.990 0.178 0.000 1.190 171 C CA 0.330 59.422 59.018 0.122 0.000 1.369 171 C CB 0.087 27.890 27.740 0.105 0.000 2.029 171 C HN 1.130 nan 8.230 nan 0.000 0.448 172 G N 3.869 112.750 108.800 0.135 0.000 2.225 172 G HA2 0.134 4.092 3.960 -0.003 0.000 0.267 172 G HA3 0.134 4.092 3.960 -0.003 0.000 0.267 172 G C 1.322 176.271 174.900 0.082 0.000 1.024 172 G CA 1.257 46.453 45.100 0.160 0.000 0.784 172 G HN 2.804 nan 8.290 nan 0.000 0.507 173 G N -3.029 105.753 108.800 -0.029 0.000 2.179 173 G HA2 -0.270 3.689 3.960 -0.003 0.000 0.260 173 G HA3 -0.270 3.689 3.960 -0.003 0.000 0.260 173 G C 0.293 174.964 174.900 -0.381 0.000 0.977 173 G CA 0.666 45.623 45.100 -0.237 0.000 0.641 173 G HN 1.228 nan 8.290 nan 0.000 0.533 174 W N 0.540 121.783 121.300 -0.095 0.000 2.578 174 W HA 0.673 5.331 4.660 -0.003 0.000 0.346 174 W C 0.565 177.023 176.519 -0.102 0.000 1.075 174 W CA -0.981 56.298 57.345 -0.110 0.000 1.233 174 W CB 0.852 30.267 29.460 -0.074 0.000 1.358 174 W HN 0.235 nan 8.180 nan 0.000 0.574 175 Q N 3.035 122.919 119.800 0.140 0.000 2.313 175 Q HA 0.204 4.543 4.340 -0.003 0.000 0.266 175 Q C -0.585 175.477 176.000 0.103 0.000 0.989 175 Q CA 0.240 56.107 55.803 0.107 0.000 0.890 175 Q CB 0.515 29.309 28.738 0.094 0.000 1.200 175 Q HN 0.312 nan 8.270 nan 0.000 0.396 176 M N 3.213 122.873 119.600 0.100 0.000 2.456 176 M HA 0.382 4.860 4.480 -0.003 0.000 0.324 176 M C -1.046 175.282 176.300 0.048 0.000 1.124 176 M CA -0.673 54.653 55.300 0.043 0.000 0.959 176 M CB 1.720 34.354 32.600 0.057 0.000 1.692 176 M HN 0.595 nan 8.290 nan 0.000 0.444 177 E N 1.707 121.864 120.200 -0.072 0.000 2.191 177 E HA 0.491 4.840 4.350 -0.003 0.000 0.278 177 E C -0.748 175.861 176.600 0.014 0.000 0.972 177 E CA -0.480 55.861 56.400 -0.099 0.000 0.804 177 E CB 1.607 30.995 29.700 -0.519 0.000 1.110 177 E HN 0.268 nan 8.360 nan 0.000 0.394 178 E N 0.784 121.068 120.200 0.139 0.000 2.312 178 E HA 0.529 4.877 4.350 -0.003 0.000 0.267 178 E C -0.820 175.852 176.600 0.120 0.000 0.894 178 E CA -1.188 55.267 56.400 0.092 0.000 0.773 178 E CB 1.894 31.656 29.700 0.104 0.000 1.241 178 E HN 0.526 nan 8.360 nan 0.000 0.432 179 A N 1.395 124.227 122.820 0.020 0.000 2.520 179 A HA 0.018 4.336 4.320 -0.003 0.000 0.245 179 A C 0.143 177.842 177.584 0.191 0.000 1.072 179 A CA 0.077 52.102 52.037 -0.020 0.000 0.761 179 A CB -0.254 18.522 19.000 -0.373 0.000 1.004 179 A HN 0.515 nan 8.150 nan 0.000 0.499 180 D N 1.863 122.459 120.400 0.326 0.000 2.483 180 D HA 0.174 4.812 4.640 -0.003 0.000 0.220 180 D C -0.367 176.294 176.300 0.601 0.000 1.173 180 D CA -0.153 54.078 54.000 0.385 0.000 0.964 180 D CB 0.317 41.288 40.800 0.286 0.000 1.046 180 D HN 0.382 nan 8.370 nan 0.000 0.517 181 D N 3.921 124.630 120.400 0.515 0.000 2.801 181 D HA -0.022 4.616 4.640 -0.003 0.000 0.232 181 D C 1.128 177.608 176.300 0.300 0.000 1.128 181 D CA -0.539 53.735 54.000 0.457 0.000 1.003 181 D CB -0.202 40.812 40.800 0.357 0.000 1.110 181 D HN 0.560 nan 8.370 nan 0.000 0.477 182 W N 1.553 122.930 121.300 0.130 0.000 2.525 182 W HA -0.040 4.619 4.660 -0.003 0.000 0.259 182 W C 0.042 176.630 176.519 0.116 0.000 1.253 182 W CA 0.145 57.567 57.345 0.128 0.000 1.262 182 W CB -0.698 28.837 29.460 0.125 0.000 1.122 182 W HN 0.175 nan 8.180 nan 0.000 0.607 183 L N 1.060 121.979 121.223 -0.507 0.000 2.667 183 L HA 0.222 4.560 4.340 -0.003 0.000 0.232 183 L C 2.695 179.407 176.870 -0.262 0.000 1.138 183 L CA -0.127 54.370 54.840 -0.573 0.000 0.921 183 L CB -0.576 40.986 42.059 -0.829 0.000 1.180 183 L HN -0.118 nan 8.230 nan 0.000 0.487 184 R N 0.698 121.101 120.500 -0.162 0.000 2.113 184 R HA -0.224 4.115 4.340 -0.003 0.000 0.244 184 R C 1.080 177.160 176.300 -0.367 0.000 1.142 184 R CA 2.067 58.007 56.100 -0.267 0.000 0.953 184 R CB -0.134 29.975 30.300 -0.319 0.000 0.860 184 R HN 0.324 nan 8.270 nan 0.000 0.438 185 Y N -0.375 119.942 120.300 0.029 0.000 2.524 185 Y HA 0.341 4.890 4.550 -0.003 0.000 0.266 185 Y C 0.836 176.698 175.900 -0.064 0.000 1.180 185 Y CA 0.390 58.496 58.100 0.011 0.000 1.244 185 Y CB 0.902 39.478 38.460 0.193 0.000 1.125 185 Y HN 0.447 nan 8.280 nan 0.000 0.524 186 G N 1.375 110.198 108.800 0.039 0.000 2.712 186 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.683 186 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.683 186 G C -1.161 173.796 174.900 0.096 0.000 1.320 186 G CA -0.671 44.425 45.100 -0.006 0.000 0.847 186 G HN 0.276 nan 8.290 nan 0.000 0.553 187 N N 0.739 119.462 118.700 0.039 0.000 2.576 187 N HA 0.533 5.271 4.740 -0.003 0.000 0.269 187 N C -1.153 174.376 175.510 0.032 0.000 1.058 187 N CA -1.789 51.308 53.050 0.079 0.000 0.860 187 N CB 2.179 40.655 38.487 -0.019 0.000 1.249 187 N HN 0.269 nan 8.380 nan 0.000 0.525 188 P HA 0.097 nan 4.420 nan 0.000 0.245 188 P C 0.460 177.473 177.300 -0.479 0.000 1.212 188 P CA 0.464 63.304 63.100 -0.434 0.000 0.774 188 P CB 0.101 31.219 31.700 -0.970 0.000 0.999 189 W N 1.743 123.087 121.300 0.073 0.000 2.574 189 W HA 0.091 4.750 4.660 -0.003 0.000 0.282 189 W C 1.263 177.828 176.519 0.076 0.000 1.197 189 W CA -0.311 57.058 57.345 0.040 0.000 1.376 189 W CB -0.402 29.074 29.460 0.026 0.000 1.091 189 W HN -0.082 nan 8.180 nan 0.000 0.569 190 E N 2.055 122.455 120.200 0.334 0.000 2.392 190 E HA 0.200 4.548 4.350 -0.003 0.000 0.259 190 E C -0.522 176.265 176.600 0.311 0.000 1.108 190 E CA -0.447 56.148 56.400 0.324 0.000 0.916 190 E CB 0.991 30.897 29.700 0.343 0.000 0.989 190 E HN -0.315 nan 8.360 nan 0.000 0.432 191 K N 1.495 122.100 120.400 0.343 0.000 2.483 191 K HA 0.401 4.719 4.320 -0.003 0.000 0.256 191 K C -1.153 175.494 176.600 0.078 0.000 0.961 191 K CA -0.487 55.936 56.287 0.227 0.000 0.873 191 K CB 1.465 34.117 32.500 0.253 0.000 1.107 191 K HN 0.653 nan 8.250 nan 0.000 0.432 192 A N 4.337 127.115 122.820 -0.070 0.000 2.520 192 A HA 0.285 4.603 4.320 -0.003 0.000 0.245 192 A C -0.239 177.141 177.584 -0.341 0.000 1.072 192 A CA -0.025 51.702 52.037 -0.516 0.000 0.761 192 A CB 0.172 18.879 19.000 -0.488 0.000 1.004 192 A HN 0.660 nan 8.150 nan 0.000 0.499 193 R N 3.404 123.677 120.500 -0.379 0.000 2.983 193 R HA 0.209 4.547 4.340 -0.003 0.000 0.300 193 R C -2.323 173.833 176.300 -0.241 0.000 1.367 193 R CA -1.816 54.139 56.100 -0.242 0.000 1.564 193 R CB 0.633 30.932 30.300 -0.002 0.000 1.314 193 R HN 0.576 nan 8.270 nan 0.000 0.622 194 P HA -0.173 nan 4.420 nan 0.000 0.222 194 P C 0.944 178.155 177.300 -0.149 0.000 1.147 194 P CA 1.048 64.059 63.100 -0.147 0.000 0.790 194 P CB 0.392 32.016 31.700 -0.127 0.000 0.780 195 E N 0.390 120.397 120.200 -0.323 0.000 2.268 195 E HA -0.153 4.195 4.350 -0.003 0.000 0.195 195 E C 0.951 177.389 176.600 -0.269 0.000 0.995 195 E CA 0.888 57.057 56.400 -0.385 0.000 0.836 195 E CB -1.085 28.247 29.700 -0.614 0.000 0.763 195 E HN 0.375 nan 8.360 nan 0.000 0.491 196 F N 1.991 121.957 119.950 0.027 0.000 2.730 196 F HA 0.233 4.758 4.527 -0.003 0.000 0.295 196 F C 0.462 176.357 175.800 0.159 0.000 1.143 196 F CA -0.666 57.380 58.000 0.076 0.000 1.367 196 F CB 0.507 39.544 39.000 0.061 0.000 0.970 196 F HN -0.281 nan 8.300 nan 0.000 0.514 197 T N 3.038 117.738 114.554 0.242 0.000 2.916 197 T HA 0.360 4.708 4.350 -0.003 0.000 0.303 197 T C -0.020 174.791 174.700 0.185 0.000 1.025 197 T CA 0.288 62.530 62.100 0.238 0.000 1.142 197 T CB 0.816 69.774 68.868 0.149 0.000 0.947 197 T HN 0.091 nan 8.240 nan 0.000 0.544 198 L N 5.108 126.410 121.223 0.132 0.000 2.370 198 L HA 0.528 4.866 4.340 -0.003 0.000 0.266 198 L C -2.266 174.560 176.870 -0.073 0.000 1.002 198 L CA -2.618 52.222 54.840 0.001 0.000 0.818 198 L CB 2.424 44.423 42.059 -0.100 0.000 1.325 198 L HN 0.392 nan 8.230 nan 0.000 0.418 199 P HA 0.249 nan 4.420 nan 0.000 0.285 199 P C -1.068 176.090 177.300 -0.237 0.000 1.259 199 P CA -0.334 62.672 63.100 -0.157 0.000 0.794 199 P CB 1.824 33.434 31.700 -0.150 0.000 0.940 200 V N 4.494 124.241 119.914 -0.279 0.000 2.555 200 V HA 0.338 4.456 4.120 -0.003 0.000 0.302 200 V C 0.262 176.080 176.094 -0.461 0.000 1.038 200 V CA -0.605 61.505 62.300 -0.317 0.000 0.887 200 V CB 1.387 33.060 31.823 -0.251 0.000 0.991 200 V HN 0.599 nan 8.190 nan 0.000 0.434 201 H N 3.762 122.595 119.070 -0.396 0.000 2.472 201 H HA 0.606 5.161 4.556 -0.003 0.000 0.338 201 H C -1.317 173.624 175.328 -0.646 0.000 1.133 201 H CA -0.175 55.558 56.048 -0.525 0.000 1.216 201 H CB 1.953 31.198 29.762 -0.862 0.000 1.497 201 H HN 0.481 nan 8.280 nan 0.000 0.500 202 F N 0.522 120.486 119.950 0.023 0.000 2.588 202 F HA 0.211 4.736 4.527 -0.003 0.000 0.314 202 F C -0.234 175.663 175.800 0.161 0.000 1.069 202 F CA -0.535 57.497 58.000 0.053 0.000 0.931 202 F CB 1.128 40.075 39.000 -0.088 0.000 1.260 202 F HN 0.564 nan 8.300 nan 0.000 0.465 203 Y N 0.253 120.842 120.300 0.481 0.000 2.896 203 Y HA -0.035 4.513 4.550 -0.003 0.000 0.466 203 Y C 1.402 177.551 175.900 0.415 0.000 1.197 203 Y CA 0.670 58.976 58.100 0.344 0.000 2.513 203 Y CB -1.919 36.671 38.460 0.217 0.000 1.232 203 Y HN 1.258 nan 8.280 nan 0.000 0.632 204 G N 0.750 109.826 108.800 0.460 0.000 2.562 204 G HA2 0.065 4.023 3.960 -0.003 0.000 0.250 204 G HA3 0.065 4.023 3.960 -0.003 0.000 0.250 204 G C -0.452 174.667 174.900 0.365 0.000 1.269 204 G CA 1.193 46.489 45.100 0.327 0.000 0.919 204 G HN 1.387 nan 8.290 nan 0.000 0.574 205 R N -2.602 118.113 120.500 0.358 0.000 2.733 205 R HA 0.697 5.036 4.340 -0.003 0.000 0.272 205 R C -1.406 175.041 176.300 0.246 0.000 1.029 205 R CA -0.938 55.315 56.100 0.255 0.000 0.888 205 R CB 1.244 31.638 30.300 0.158 0.000 1.251 205 R HN 0.919 nan 8.270 nan 0.000 0.464 206 V N 1.056 121.028 119.914 0.097 0.000 2.398 206 V HA 0.346 4.464 4.120 -0.003 0.000 0.286 206 V C -0.269 175.778 176.094 -0.078 0.000 1.026 206 V CA -0.595 61.682 62.300 -0.039 0.000 0.868 206 V CB 1.387 33.106 31.823 -0.174 0.000 0.982 206 V HN 0.680 nan 8.190 nan 0.000 0.443 207 E N 3.698 123.825 120.200 -0.121 0.000 2.133 207 E HA 0.390 4.738 4.350 -0.003 0.000 0.274 207 E C -0.942 175.539 176.600 -0.198 0.000 0.930 207 E CA -0.608 55.743 56.400 -0.081 0.000 0.770 207 E CB 1.048 30.741 29.700 -0.011 0.000 1.104 207 E HN 0.687 nan 8.360 nan 0.000 0.403 208 H N 2.680 121.762 119.070 0.020 0.000 2.594 208 H HA 0.191 4.746 4.556 -0.003 0.000 0.304 208 H C 0.450 175.785 175.328 0.011 0.000 1.068 208 H CA -0.155 55.900 56.048 0.011 0.000 1.308 208 H CB 1.124 30.887 29.762 0.002 0.000 1.409 208 H HN 0.628 nan 8.280 nan 0.000 0.460 209 T N -1.411 113.198 114.554 0.092 0.000 2.529 209 T HA 0.094 4.442 4.350 -0.003 0.000 0.224 209 T C 1.636 176.364 174.700 0.047 0.000 0.791 209 T CA 0.042 62.176 62.100 0.057 0.000 1.241 209 T CB 0.707 69.594 68.868 0.033 0.000 1.554 209 T HN 0.360 nan 8.240 nan 0.000 0.491 210 S N -0.013 115.706 115.700 0.032 0.000 2.355 210 S HA -0.123 4.345 4.470 -0.003 0.000 0.222 210 S C 1.985 176.601 174.600 0.027 0.000 1.031 210 S CA 1.286 59.502 58.200 0.026 0.000 0.993 210 S CB -0.821 62.391 63.200 0.021 0.000 0.859 210 S HN 0.588 nan 8.310 nan 0.000 0.453 211 Q N 0.356 120.171 119.800 0.024 0.000 2.187 211 Q HA 0.297 4.635 4.340 -0.003 0.000 0.199 211 Q C 1.383 177.402 176.000 0.031 0.000 0.957 211 Q CA 0.950 56.767 55.803 0.023 0.000 0.857 211 Q CB 0.085 28.832 28.738 0.016 0.000 0.929 211 Q HN 0.669 nan 8.270 nan 0.000 0.453 212 G N -0.044 108.778 108.800 0.038 0.000 2.292 212 G HA2 0.215 4.173 3.960 -0.003 0.000 0.194 212 G HA3 0.215 4.173 3.960 -0.003 0.000 0.194 212 G C -1.461 173.463 174.900 0.039 0.000 1.329 212 G CA -0.437 44.698 45.100 0.059 0.000 1.100 212 G HN 0.342 nan 8.290 nan 0.000 0.470 213 A N -0.005 122.824 122.820 0.015 0.000 2.371 213 A HA 0.712 5.030 4.320 -0.003 0.000 0.257 213 A C 0.127 177.648 177.584 -0.105 0.000 1.089 213 A CA 0.453 52.404 52.037 -0.145 0.000 0.794 213 A CB 0.413 19.306 19.000 -0.179 0.000 1.029 213 A HN 0.643 nan 8.150 nan 0.000 0.488 214 K N 0.962 121.285 120.400 -0.129 0.000 2.507 214 K HA 0.205 4.524 4.320 -0.003 0.000 0.251 214 K C -1.793 174.831 176.600 0.041 0.000 0.943 214 K CA -0.356 55.912 56.287 -0.032 0.000 0.794 214 K CB 1.901 34.389 32.500 -0.021 0.000 1.188 214 K HN 0.733 nan 8.250 nan 0.000 0.428 215 W N 5.683 126.895 121.300 -0.147 0.000 2.342 215 W HA 0.347 5.005 4.660 -0.003 0.000 0.310 215 W C -0.681 175.774 176.519 -0.106 0.000 1.128 215 W CA -0.754 56.513 57.345 -0.130 0.000 1.322 215 W CB 0.217 29.588 29.460 -0.147 0.000 1.251 215 W HN 0.307 nan 8.180 nan 0.000 0.439 216 V N 2.743 122.727 119.914 0.117 0.000 3.126 216 V HA 0.598 4.717 4.120 -0.003 0.000 0.314 216 V C -0.102 175.983 176.094 -0.015 0.000 1.138 216 V CA -0.983 61.307 62.300 -0.017 0.000 1.034 216 V CB 1.986 33.822 31.823 0.022 0.000 1.075 216 V HN 0.465 nan 8.190 nan 0.000 0.442 217 D N 0.128 120.517 120.400 -0.018 0.000 2.837 217 D HA -0.147 4.491 4.640 -0.003 0.000 0.230 217 D C 0.613 176.926 176.300 0.021 0.000 1.152 217 D CA 1.536 55.547 54.000 0.017 0.000 0.736 217 D CB -1.751 39.081 40.800 0.053 0.000 1.084 217 D HN 1.291 nan 8.370 nan 0.000 0.429 218 T N -2.768 111.749 114.554 -0.062 0.000 2.849 218 T HA 0.450 4.798 4.350 -0.003 0.000 0.284 218 T C 0.452 175.189 174.700 0.062 0.000 1.004 218 T CA -0.680 61.386 62.100 -0.056 0.000 1.021 218 T CB 1.745 70.419 68.868 -0.323 0.000 1.013 218 T HN 0.043 nan 8.240 nan 0.000 0.527 219 Q N 0.680 120.575 119.800 0.158 0.000 2.278 219 Q HA 0.551 4.889 4.340 -0.003 0.000 0.257 219 Q C -0.902 175.170 176.000 0.121 0.000 0.928 219 Q CA -0.850 55.054 55.803 0.170 0.000 0.932 219 Q CB 1.864 30.773 28.738 0.285 0.000 1.221 219 Q HN 0.508 nan 8.270 nan 0.000 0.434 220 V N 3.391 123.313 119.914 0.014 0.000 2.465 220 V HA 0.324 4.442 4.120 -0.003 0.000 0.279 220 V C -0.212 175.911 176.094 0.049 0.000 1.045 220 V CA -0.567 61.663 62.300 -0.117 0.000 0.938 220 V CB 1.525 33.220 31.823 -0.214 0.000 0.986 220 V HN 0.494 nan 8.190 nan 0.000 0.467 221 V N 6.211 126.195 119.914 0.116 0.000 2.487 221 V HA 0.446 4.564 4.120 -0.003 0.000 0.298 221 V C -0.055 176.148 176.094 0.182 0.000 1.028 221 V CA -0.618 61.807 62.300 0.208 0.000 0.860 221 V CB 1.759 33.812 31.823 0.384 0.000 0.991 221 V HN 0.631 nan 8.190 nan 0.000 0.427 222 L N 3.710 125.035 121.223 0.170 0.000 2.395 222 L HA 0.670 5.009 4.340 -0.003 0.000 0.269 222 L C 0.553 177.623 176.870 0.333 0.000 1.133 222 L CA -0.197 54.743 54.840 0.167 0.000 0.812 222 L CB 1.085 43.222 42.059 0.129 0.000 1.125 222 L HN 0.757 nan 8.230 nan 0.000 0.452 223 A N 5.115 128.068 122.820 0.221 0.000 2.277 223 A HA 0.540 4.858 4.320 -0.003 0.000 0.318 223 A C -0.431 177.442 177.584 0.483 0.000 1.339 223 A CA -0.491 51.713 52.037 0.278 0.000 0.875 223 A CB 0.863 19.547 19.000 -0.527 0.000 1.158 223 A HN 0.788 nan 8.150 nan 0.000 0.514 224 M N 6.104 126.038 119.600 0.557 0.000 2.080 224 M HA 0.416 4.894 4.480 -0.003 0.000 0.350 224 M C -2.526 174.056 176.300 0.470 0.000 1.173 224 M CA -2.068 53.497 55.300 0.442 0.000 1.052 224 M CB 1.587 34.370 32.600 0.306 0.000 1.577 224 M HN 0.326 nan 8.290 nan 0.000 0.455 225 P HA 0.192 nan 4.420 nan 0.000 0.279 225 P C -1.909 175.354 177.300 -0.062 0.000 1.239 225 P CA 0.100 63.121 63.100 -0.131 0.000 0.789 225 P CB 0.389 31.852 31.700 -0.396 0.000 0.933 226 Y N 0.843 121.086 120.300 -0.095 0.000 2.331 226 Y HA 0.320 4.868 4.550 -0.003 0.000 0.334 226 Y C 0.218 176.109 175.900 -0.014 0.000 0.960 226 Y CA -0.300 57.800 58.100 0.001 0.000 1.130 226 Y CB 1.310 39.804 38.460 0.056 0.000 1.164 226 Y HN 0.224 nan 8.280 nan 0.000 0.458 227 D N 1.971 122.486 120.400 0.192 0.000 2.193 227 D HA 0.404 5.042 4.640 -0.003 0.000 0.244 227 D C -0.613 175.927 176.300 0.401 0.000 1.064 227 D CA -0.227 53.923 54.000 0.251 0.000 0.845 227 D CB 1.751 42.718 40.800 0.277 0.000 1.148 227 D HN 0.366 nan 8.370 nan 0.000 0.464 228 T N 3.300 117.993 114.554 0.232 0.000 2.812 228 T HA 0.444 4.792 4.350 -0.003 0.000 0.282 228 T C -2.515 172.037 174.700 -0.246 0.000 0.990 228 T CA -1.500 60.626 62.100 0.044 0.000 0.960 228 T CB 1.973 70.866 68.868 0.042 0.000 0.948 228 T HN 0.152 nan 8.240 nan 0.000 0.438 229 P HA 0.223 nan 4.420 nan 0.000 0.268 229 P C -0.932 176.069 177.300 -0.498 0.000 1.205 229 P CA -0.283 62.168 63.100 -1.081 0.000 0.771 229 P CB 0.670 31.608 31.700 -1.271 0.000 0.858 230 V N 5.298 124.985 119.914 -0.378 0.000 2.340 230 V HA 0.257 4.375 4.120 -0.003 0.000 0.277 230 V C -2.124 173.864 176.094 -0.176 0.000 1.017 230 V CA -1.846 60.319 62.300 -0.224 0.000 0.820 230 V CB 1.477 33.211 31.823 -0.148 0.000 1.028 230 V HN 0.533 nan 8.190 nan 0.000 0.436 231 P HA 0.289 nan 4.420 nan 0.000 0.286 231 P C 0.361 177.625 177.300 -0.059 0.000 1.269 231 P CA 0.276 63.307 63.100 -0.115 0.000 0.787 231 P CB 1.630 33.255 31.700 -0.125 0.000 0.920 232 G N 2.301 111.085 108.800 -0.028 0.000 2.599 232 G HA2 0.121 4.079 3.960 -0.003 0.000 0.264 232 G HA3 0.121 4.079 3.960 -0.003 0.000 0.264 232 G C -1.136 173.788 174.900 0.041 0.000 1.200 232 G CA -0.596 44.515 45.100 0.018 0.000 0.896 232 G HN 0.504 nan 8.290 nan 0.000 0.536 233 Y N 1.159 121.429 120.300 -0.050 0.000 2.640 233 Y HA 0.212 4.760 4.550 -0.003 0.000 0.355 233 Y C 1.346 177.214 175.900 -0.052 0.000 1.088 233 Y CA -0.125 57.939 58.100 -0.059 0.000 1.443 233 Y CB -0.175 38.247 38.460 -0.063 0.000 1.224 233 Y HN 0.719 nan 8.280 nan 0.000 0.516 234 R N 2.815 123.065 120.500 -0.417 0.000 3.627 234 R HA -0.325 4.013 4.340 -0.003 0.000 0.281 234 R C 0.092 176.269 176.300 -0.206 0.000 1.140 234 R CA 1.308 57.163 56.100 -0.408 0.000 0.761 234 R CB -2.229 27.652 30.300 -0.698 0.000 1.181 234 R HN 0.933 nan 8.270 nan 0.000 0.472 235 N N -0.572 118.057 118.700 -0.118 0.000 2.187 235 N HA 0.040 4.779 4.740 -0.003 0.000 0.212 235 N C -0.012 175.458 175.510 -0.065 0.000 1.152 235 N CA -0.464 52.546 53.050 -0.067 0.000 0.872 235 N CB 0.468 38.942 38.487 -0.023 0.000 1.025 235 N HN 0.085 nan 8.380 nan 0.000 0.514 236 N N -0.293 118.364 118.700 -0.072 0.000 2.778 236 N HA -0.134 4.604 4.740 -0.003 0.000 0.249 236 N C -0.977 174.501 175.510 -0.054 0.000 1.069 236 N CA 0.631 53.645 53.050 -0.060 0.000 0.831 236 N CB -1.297 37.152 38.487 -0.063 0.000 1.142 236 N HN 0.195 nan 8.380 nan 0.000 0.573 237 V N 1.196 121.085 119.914 -0.042 0.000 2.432 237 V HA 0.409 4.527 4.120 -0.003 0.000 0.275 237 V C 0.624 176.711 176.094 -0.011 0.000 1.043 237 V CA -0.454 61.834 62.300 -0.021 0.000 0.925 237 V CB 2.035 33.871 31.823 0.021 0.000 0.985 237 V HN -0.039 nan 8.190 nan 0.000 0.466 238 V N 5.561 125.484 119.914 0.014 0.000 2.419 238 V HA 0.428 4.546 4.120 -0.003 0.000 0.287 238 V C -0.036 176.113 176.094 0.092 0.000 1.017 238 V CA -0.818 61.478 62.300 -0.007 0.000 0.844 238 V CB 1.389 33.185 31.823 -0.046 0.000 1.011 238 V HN 0.848 nan 8.190 nan 0.000 0.429 239 N N 2.082 120.796 118.700 0.023 0.000 2.431 239 N HA 0.559 5.297 4.740 -0.003 0.000 0.289 239 N C -0.041 175.504 175.510 0.059 0.000 1.277 239 N CA -0.286 52.791 53.050 0.044 0.000 0.972 239 N CB 0.951 39.393 38.487 -0.076 0.000 1.143 239 N HN 0.579 nan 8.380 nan 0.000 0.578 240 T N 0.670 115.242 114.554 0.031 0.000 2.881 240 T HA 0.369 4.717 4.350 -0.003 0.000 0.290 240 T C -0.382 174.296 174.700 -0.038 0.000 1.000 240 T CA -0.511 61.680 62.100 0.152 0.000 0.978 240 T CB 1.161 70.240 68.868 0.353 0.000 0.997 240 T HN 0.304 nan 8.240 nan 0.000 0.443 241 M N 3.840 123.384 119.600 -0.093 0.000 2.088 241 M HA 0.501 4.979 4.480 -0.003 0.000 0.346 241 M C -0.372 175.777 176.300 -0.252 0.000 1.111 241 M CA -0.716 54.432 55.300 -0.253 0.000 1.017 241 M CB 0.637 33.039 32.600 -0.331 0.000 1.568 241 M HN 0.491 nan 8.290 nan 0.000 0.445 242 R N 5.923 126.152 120.500 -0.452 0.000 2.255 242 R HA 0.611 4.950 4.340 -0.003 0.000 0.326 242 R C -1.931 174.054 176.300 -0.526 0.000 0.986 242 R CA -0.420 55.349 56.100 -0.551 0.000 0.847 242 R CB 0.838 30.588 30.300 -0.917 0.000 1.111 242 R HN 0.820 nan 8.270 nan 0.000 0.452 243 L N 5.321 126.351 121.223 -0.321 0.000 2.333 243 L HA 0.475 4.814 4.340 -0.003 0.000 0.280 243 L C -0.860 175.979 176.870 -0.052 0.000 1.004 243 L CA -0.899 53.863 54.840 -0.130 0.000 0.820 243 L CB 1.468 43.538 42.059 0.019 0.000 1.247 243 L HN 0.603 nan 8.230 nan 0.000 0.416 244 W N 1.993 123.418 121.300 0.209 0.000 2.315 244 W HA 0.434 5.092 4.660 -0.003 0.000 0.316 244 W C 0.627 177.403 176.519 0.427 0.000 1.211 244 W CA -0.147 57.352 57.345 0.257 0.000 1.201 244 W CB 1.371 30.824 29.460 -0.011 0.000 1.184 244 W HN 0.347 nan 8.180 nan 0.000 0.544 245 S N 2.068 118.201 115.700 0.721 0.000 2.473 245 S HA 0.737 5.206 4.470 -0.003 0.000 0.307 245 S C -0.342 174.609 174.600 0.586 0.000 1.094 245 S CA -0.745 57.774 58.200 0.532 0.000 1.070 245 S CB 0.525 63.981 63.200 0.427 0.000 1.019 245 S HN 0.539 nan 8.310 nan 0.000 0.480 246 A N 4.398 127.383 122.820 0.275 0.000 2.409 246 A HA 0.543 4.861 4.320 -0.003 0.000 0.262 246 A C 0.044 177.719 177.584 0.152 0.000 1.113 246 A CA -0.197 51.889 52.037 0.083 0.000 0.790 246 A CB 0.148 18.945 19.000 -0.338 0.000 1.046 246 A HN 0.783 nan 8.150 nan 0.000 0.496 247 K N 2.290 122.803 120.400 0.189 0.000 2.468 247 K HA 0.614 4.933 4.320 -0.003 0.000 0.252 247 K C -0.312 176.354 176.600 0.111 0.000 0.932 247 K CA -0.569 55.805 56.287 0.145 0.000 0.794 247 K CB 1.808 34.409 32.500 0.168 0.000 1.241 247 K HN 0.891 nan 8.250 nan 0.000 0.428 248 A N 4.717 127.583 122.820 0.076 0.000 2.498 248 A HA 0.313 4.631 4.320 -0.003 0.000 0.239 248 A C -2.183 175.436 177.584 0.058 0.000 1.068 248 A CA -0.914 51.159 52.037 0.060 0.000 0.766 248 A CB -0.395 18.629 19.000 0.040 0.000 1.003 248 A HN 0.568 nan 8.150 nan 0.000 0.497 249 P HA 0.100 nan 4.420 nan 0.000 0.272 249 P C -0.619 176.701 177.300 0.034 0.000 1.223 249 P CA -0.389 62.733 63.100 0.037 0.000 0.784 249 P CB 0.325 32.038 31.700 0.022 0.000 0.923 250 N N 1.014 119.733 118.700 0.031 0.000 2.626 250 N HA 0.067 4.805 4.740 -0.003 0.000 0.226 250 N C -0.337 175.192 175.510 0.031 0.000 1.376 250 N CA 0.230 53.299 53.050 0.031 0.000 0.894 250 N CB -0.897 37.607 38.487 0.028 0.000 1.218 250 N HN 0.535 nan 8.380 nan 0.000 0.492 262 Y N 0.542 120.845 120.300 0.005 0.000 2.081 262 Y HA -0.139 4.409 4.550 -0.003 0.000 0.280 262 Y C 2.647 178.551 175.900 0.007 0.000 1.163 262 Y CA 2.422 60.525 58.100 0.006 0.000 1.135 262 Y CB -0.083 38.381 38.460 0.005 0.000 0.970 262 Y HN 0.258 nan 8.280 nan 0.000 0.498 263 I N 0.453 120.923 120.570 -0.167 0.000 2.163 263 I HA -0.305 3.863 4.170 -0.003 0.000 0.243 263 I C 2.407 178.399 176.117 -0.208 0.000 1.085 263 I CA 1.895 63.038 61.300 -0.261 0.000 1.347 263 I CB -1.450 36.520 38.000 -0.049 0.000 1.044 263 I HN 0.349 nan 8.210 nan 0.000 0.408 264 Q N 1.156 120.893 119.800 -0.105 0.000 2.084 264 Q HA -0.119 4.219 4.340 -0.003 0.000 0.202 264 Q C 2.231 178.178 176.000 -0.089 0.000 0.978 264 Q CA 2.234 57.993 55.803 -0.073 0.000 0.844 264 Q CB -0.380 28.338 28.738 -0.033 0.000 0.898 264 Q HN 0.470 nan 8.270 nan 0.000 0.426 265 A N -0.719 122.038 122.820 -0.103 0.000 1.908 265 A HA -0.157 4.162 4.320 -0.003 0.000 0.218 265 A C 2.254 179.764 177.584 -0.123 0.000 1.181 265 A CA 1.772 53.756 52.037 -0.088 0.000 0.627 265 A CB -0.819 18.148 19.000 -0.055 0.000 0.818 265 A HN 0.274 nan 8.150 nan 0.000 0.445 266 V N 0.183 119.958 119.914 -0.233 0.000 2.358 266 V HA -0.225 3.893 4.120 -0.003 0.000 0.246 266 V C 2.530 178.552 176.094 -0.119 0.000 1.047 266 V CA 1.798 63.972 62.300 -0.211 0.000 1.035 266 V CB -0.762 30.849 31.823 -0.354 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.212 120.944 121.223 -0.112 0.000 2.083 267 L HA -0.159 4.179 4.340 -0.003 0.000 0.209 267 L C 2.119 178.965 176.870 -0.040 0.000 1.083 267 L CA 1.390 56.192 54.840 -0.063 0.000 0.752 267 L CB -0.787 41.240 42.059 -0.054 0.000 0.899 267 L HN 0.317 nan 8.230 nan 0.000 0.433 268 D N 0.124 120.499 120.400 -0.042 0.000 2.378 268 D HA -0.097 4.542 4.640 -0.003 0.000 0.222 268 D C 2.163 178.455 176.300 -0.013 0.000 0.980 268 D CA 0.522 54.508 54.000 -0.023 0.000 0.907 268 D CB -0.060 40.727 40.800 -0.022 0.000 0.899 268 D HN 0.236 nan 8.370 nan 0.000 0.527 269 R N 0.425 120.915 120.500 -0.017 0.000 2.159 269 R HA -0.089 4.249 4.340 -0.003 0.000 0.237 269 R C 1.596 177.900 176.300 0.007 0.000 1.131 269 R CA 0.717 56.816 56.100 -0.001 0.000 0.982 269 R CB -0.112 30.186 30.300 -0.003 0.000 0.868 269 R HN 0.150 nan 8.270 nan 0.000 0.453 270 N N 0.856 119.558 118.700 0.004 0.000 2.205 270 N HA -0.159 4.580 4.740 -0.003 0.000 0.186 270 N C 1.727 177.244 175.510 0.013 0.000 1.015 270 N CA 1.119 54.177 53.050 0.013 0.000 0.862 270 N CB -0.209 38.286 38.487 0.013 0.000 0.986 270 N HN 0.248 nan 8.380 nan 0.000 0.429 271 L N 0.426 121.653 121.223 0.006 0.000 1.994 271 L HA -0.114 4.225 4.340 -0.003 0.000 0.208 271 L C 2.461 179.326 176.870 -0.008 0.000 1.071 271 L CA 1.407 56.249 54.840 0.003 0.000 0.745 271 L CB -0.663 41.399 42.059 0.004 0.000 0.892 271 L HN 0.107 nan 8.230 nan 0.000 0.431 272 A N -0.080 122.738 122.820 -0.002 0.000 1.933 272 A HA -0.206 4.112 4.320 -0.003 0.000 0.218 272 A C 2.142 179.702 177.584 -0.039 0.000 1.175 272 A CA 1.665 53.694 52.037 -0.013 0.000 0.628 272 A CB -0.453 18.566 19.000 0.031 0.000 0.814 272 A HN 0.492 nan 8.150 nan 0.000 0.444 273 E N -0.125 120.069 120.200 -0.010 0.000 2.358 273 E HA -0.092 4.257 4.350 -0.003 0.000 0.195 273 E C 1.149 177.744 176.600 -0.008 0.000 1.010 273 E CA 0.343 56.739 56.400 -0.006 0.000 0.856 273 E CB -0.132 29.584 29.700 0.028 0.000 0.795 273 E HN 0.486 nan 8.360 nan 0.000 0.504 274 N N 1.014 119.714 118.700 -0.000 0.000 2.443 274 N HA -0.107 4.631 4.740 -0.003 0.000 0.184 274 N C 1.629 177.147 175.510 0.014 0.000 1.037 274 N CA 0.650 53.716 53.050 0.027 0.000 0.896 274 N CB -0.055 38.450 38.487 0.030 0.000 0.959 274 N HN 0.263 nan 8.380 nan 0.000 0.442 275 I N 0.455 120.977 120.570 -0.081 0.000 2.194 275 I HA -0.255 3.914 4.170 -0.003 0.000 0.246 275 I C 1.496 177.569 176.117 -0.073 0.000 1.093 275 I CA 1.302 62.515 61.300 -0.144 0.000 1.355 275 I CB -0.229 37.541 38.000 -0.383 0.000 1.046 275 I HN 0.143 nan 8.210 nan 0.000 0.413 276 S N -0.439 115.206 115.700 -0.091 0.000 2.583 276 S HA 0.164 4.632 4.470 -0.003 0.000 0.239 276 S C 1.485 176.205 174.600 0.200 0.000 0.966 276 S CA -0.501 57.727 58.200 0.048 0.000 0.973 276 S CB 0.233 63.443 63.200 0.017 0.000 0.794 276 S HN 0.205 nan 8.310 nan 0.000 0.463 277 R N 1.211 121.840 120.500 0.215 0.000 2.062 277 R HA 0.274 4.612 4.340 -0.003 0.000 0.229 277 R C 0.397 176.952 176.300 0.426 0.000 1.128 277 R CA 1.180 57.449 56.100 0.282 0.000 0.960 277 R CB -0.249 30.196 30.300 0.242 0.000 0.855 277 R HN 0.404 nan 8.270 nan 0.000 0.432 278 V N 0.302 120.440 119.914 0.373 0.000 2.932 278 V HA 0.340 4.458 4.120 -0.003 0.000 0.307 278 V C -1.590 174.487 176.094 -0.029 0.000 1.147 278 V CA -1.392 61.053 62.300 0.242 0.000 0.951 278 V CB 1.758 33.659 31.823 0.129 0.000 1.031 278 V HN 0.149 nan 8.190 nan 0.000 0.426 279 L N 6.804 127.747 121.223 -0.467 0.000 2.410 279 L HA 0.422 4.760 4.340 -0.003 0.000 0.273 279 L C -0.801 175.907 176.870 -0.269 0.000 1.144 279 L CA 0.510 54.847 54.840 -0.839 0.000 0.863 279 L CB 0.289 41.801 42.059 -0.913 0.000 1.140 279 L HN 0.680 nan 8.230 nan 0.000 0.463 280 Y N 7.261 127.476 120.300 -0.140 0.000 2.605 280 Y HA 0.174 4.722 4.550 -0.003 0.000 0.336 280 Y C -1.326 174.574 175.900 0.001 0.000 1.111 280 Y CA -1.219 56.874 58.100 -0.012 0.000 1.422 280 Y CB 0.297 38.780 38.460 0.038 0.000 1.193 280 Y HN 0.582 nan 8.280 nan 0.000 0.526 281 P HA -0.017 nan 4.420 nan 0.000 0.259 281 P C -0.822 176.611 177.300 0.221 0.000 1.480 281 P CA 0.219 63.428 63.100 0.180 0.000 0.842 281 P CB 0.065 31.939 31.700 0.290 0.000 1.513 282 N N 1.365 120.207 118.700 0.236 0.000 2.434 282 N HA 0.151 4.889 4.740 -0.003 0.000 0.272 282 N C -0.685 174.989 175.510 0.274 0.000 1.040 282 N CA 0.096 53.315 53.050 0.282 0.000 0.956 282 N CB 1.257 39.952 38.487 0.346 0.000 1.108 282 N HN 0.098 nan 8.380 nan 0.000 0.481 283 D N 0.989 121.595 120.400 0.344 0.000 2.308 283 D HA 0.202 4.840 4.640 -0.003 0.000 0.242 283 D C -0.200 176.436 176.300 0.560 0.000 1.059 283 D CA -0.381 53.867 54.000 0.413 0.000 0.830 283 D CB 0.403 41.496 40.800 0.488 0.000 1.161 283 D HN 0.307 nan 8.370 nan 0.000 0.494 284 N N 2.871 121.795 118.700 0.374 0.000 2.725 284 N HA -0.260 4.478 4.740 -0.003 0.000 0.251 284 N C -1.324 174.457 175.510 0.452 0.000 1.031 284 N CA 0.835 54.072 53.050 0.313 0.000 0.720 284 N CB -0.855 37.706 38.487 0.124 0.000 0.930 284 N HN 0.426 nan 8.380 nan 0.000 0.543 285 F N 0.387 120.468 119.950 0.220 0.000 2.623 285 F HA 0.377 4.903 4.527 -0.003 0.000 0.323 285 F C -1.281 174.612 175.800 0.156 0.000 1.158 285 F CA -1.060 57.032 58.000 0.153 0.000 1.030 285 F CB 0.916 39.963 39.000 0.078 0.000 1.280 285 F HN -0.035 nan 8.300 nan 0.000 0.474 286 F N 6.994 126.515 119.950 -0.716 0.000 2.411 286 F HA 0.416 4.941 4.527 -0.003 0.000 0.355 286 F C -0.412 174.884 175.800 -0.840 0.000 1.117 286 F CA -0.178 57.455 58.000 -0.612 0.000 1.139 286 F CB 0.685 39.386 39.000 -0.498 0.000 1.120 286 F HN 0.597 nan 8.300 nan 0.000 0.493 287 E N 4.695 124.289 120.200 -1.010 0.000 2.165 287 E HA 0.412 4.760 4.350 -0.003 0.000 0.266 287 E C -0.379 175.500 176.600 -1.202 0.000 0.889 287 E CA -1.122 54.733 56.400 -0.909 0.000 0.756 287 E CB 1.623 31.204 29.700 -0.199 0.000 1.131 287 E HN 0.833 nan 8.360 nan 0.000 0.411 288 G N 4.896 112.966 108.800 -1.217 0.000 3.581 288 G HA2 0.034 3.992 3.960 -0.003 0.000 0.255 288 G HA3 0.034 3.992 3.960 -0.003 0.000 0.255 288 G C -0.065 174.790 174.900 -0.075 0.000 1.121 288 G CA -0.493 44.072 45.100 -0.892 0.000 1.739 288 G HN 0.277 nan 8.290 nan 0.000 0.646 289 K N 0.573 120.942 120.400 -0.052 0.000 2.298 289 K HA 0.090 4.408 4.320 -0.003 0.000 0.280 289 K C 0.999 177.698 176.600 0.165 0.000 1.032 289 K CA -0.358 55.971 56.287 0.070 0.000 0.958 289 K CB 2.017 34.538 32.500 0.034 0.000 0.978 289 K HN 0.463 nan 8.250 nan 0.000 0.472 290 E N 2.191 122.467 120.200 0.125 0.000 2.118 290 E HA -0.213 4.135 4.350 -0.003 0.000 0.195 290 E C 1.560 178.151 176.600 -0.014 0.000 0.992 290 E CA 0.903 57.324 56.400 0.035 0.000 0.804 290 E CB 0.169 29.899 29.700 0.050 0.000 0.741 290 E HN 0.428 nan 8.360 nan 0.000 0.458 291 L N 1.294 122.556 121.223 0.065 0.000 2.046 291 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 291 L C 2.476 179.405 176.870 0.097 0.000 1.077 291 L CA 1.781 56.681 54.840 0.101 0.000 0.747 291 L CB -0.515 41.692 42.059 0.246 0.000 0.896 291 L HN 0.015 nan 8.230 nan 0.000 0.432 292 R N -0.525 119.955 120.500 -0.034 0.000 2.081 292 R HA -0.173 4.165 4.340 -0.003 0.000 0.235 292 R C 2.118 178.432 176.300 0.023 0.000 1.131 292 R CA 1.942 57.969 56.100 -0.121 0.000 0.960 292 R CB -1.098 28.898 30.300 -0.508 0.000 0.856 292 R HN 0.404 nan 8.270 nan 0.000 0.436 293 L N 0.930 122.073 121.223 -0.133 0.000 2.046 293 L HA -0.098 4.240 4.340 -0.003 0.000 0.208 293 L C 1.743 178.533 176.870 -0.134 0.000 1.077 293 L CA 1.924 56.495 54.840 -0.447 0.000 0.747 293 L CB -0.437 41.031 42.059 -0.984 0.000 0.896 293 L HN 0.177 nan 8.230 nan 0.000 0.432 294 K N -0.994 119.361 120.400 -0.075 0.000 2.057 294 K HA -0.204 4.114 4.320 -0.003 0.000 0.207 294 K C 2.078 178.817 176.600 0.233 0.000 1.049 294 K CA 1.843 58.138 56.287 0.012 0.000 0.931 294 K CB -0.221 32.091 32.500 -0.312 0.000 0.714 294 K HN 0.508 nan 8.250 nan 0.000 0.440 295 Q N 0.710 120.619 119.800 0.181 0.000 2.061 295 Q HA -0.213 4.125 4.340 -0.003 0.000 0.204 295 Q C 2.027 178.229 176.000 0.338 0.000 0.984 295 Q CA 1.570 57.545 55.803 0.288 0.000 0.846 295 Q CB -0.088 28.838 28.738 0.314 0.000 0.902 295 Q HN 0.388 nan 8.270 nan 0.000 0.421 296 E N -0.218 120.132 120.200 0.251 0.000 2.051 296 E HA -0.218 4.130 4.350 -0.003 0.000 0.192 296 E C 1.771 178.498 176.600 0.212 0.000 0.991 296 E CA 1.125 57.661 56.400 0.227 0.000 0.799 296 E CB -0.152 29.656 29.700 0.179 0.000 0.748 296 E HN 0.332 nan 8.360 nan 0.000 0.449 297 Y N 0.337 120.694 120.300 0.096 0.000 2.263 297 Y HA -0.204 4.344 4.550 -0.003 0.000 0.292 297 Y C 1.961 177.914 175.900 0.089 0.000 1.130 297 Y CA 0.973 59.093 58.100 0.034 0.000 1.179 297 Y CB -0.373 38.083 38.460 -0.007 0.000 0.998 297 Y HN 0.010 nan 8.280 nan 0.000 0.532 298 F N 0.033 120.008 119.950 0.041 0.000 2.063 298 F HA -0.318 4.207 4.527 -0.003 0.000 0.298 298 F C 2.165 177.832 175.800 -0.222 0.000 1.109 298 F CA 2.336 60.307 58.000 -0.049 0.000 1.212 298 F CB -0.913 38.192 39.000 0.174 0.000 0.973 298 F HN -0.100 nan 8.300 nan 0.000 0.480 299 V N -0.554 119.328 119.914 -0.054 0.000 2.295 299 V HA -0.298 3.820 4.120 -0.003 0.000 0.246 299 V C 2.435 178.404 176.094 -0.208 0.000 1.049 299 V CA 1.644 63.906 62.300 -0.064 0.000 1.024 299 V CB -1.068 30.896 31.823 0.236 0.000 0.648 299 V HN 0.298 nan 8.190 nan 0.000 0.447 300 V N 0.279 120.077 119.914 -0.193 0.000 2.261 300 V HA -0.276 3.842 4.120 -0.003 0.000 0.246 300 V C 2.738 178.592 176.094 -0.400 0.000 1.047 300 V CA 2.243 64.411 62.300 -0.220 0.000 1.015 300 V CB -1.109 30.642 31.823 -0.119 0.000 0.642 300 V HN 0.561 nan 8.190 nan 0.000 0.446 301 A N -0.207 122.194 122.820 -0.699 0.000 1.858 301 A HA -0.121 4.197 4.320 -0.003 0.000 0.216 301 A C 2.420 179.648 177.584 -0.592 0.000 1.190 301 A CA 2.246 53.868 52.037 -0.692 0.000 0.617 301 A CB -0.929 17.442 19.000 -1.048 0.000 0.827 301 A HN 0.579 nan 8.150 nan 0.000 0.443 302 A N -1.067 121.238 122.820 -0.858 0.000 1.877 302 A HA -0.088 4.230 4.320 -0.003 0.000 0.216 302 A C 2.322 179.471 177.584 -0.726 0.000 1.186 302 A CA 2.372 53.723 52.037 -1.144 0.000 0.620 302 A CB -1.404 16.209 19.000 -2.312 0.000 0.822 302 A HN 0.437 nan 8.150 nan 0.000 0.443 303 T N 0.304 114.573 114.554 -0.474 0.000 2.684 303 T HA -0.147 4.201 4.350 -0.003 0.000 0.267 303 T C 1.690 176.157 174.700 -0.388 0.000 1.036 303 T CA 1.720 63.664 62.100 -0.260 0.000 1.148 303 T CB -0.361 68.352 68.868 -0.259 0.000 0.863 303 T HN 0.213 nan 8.240 nan 0.000 0.436 304 L N 1.050 122.078 121.223 -0.324 0.000 2.275 304 L HA -0.013 4.325 4.340 -0.003 0.000 0.215 304 L C 2.577 179.338 176.870 -0.181 0.000 1.119 304 L CA 1.419 56.106 54.840 -0.255 0.000 0.790 304 L CB -0.773 41.175 42.059 -0.185 0.000 0.919 304 L HN 0.309 nan 8.230 nan 0.000 0.443 305 Q N -0.787 118.907 119.800 -0.177 0.000 2.046 305 Q HA -0.211 4.127 4.340 -0.003 0.000 0.200 305 Q C 1.754 177.732 176.000 -0.036 0.000 0.975 305 Q CA 1.522 57.268 55.803 -0.094 0.000 0.836 305 Q CB -0.102 28.567 28.738 -0.115 0.000 0.896 305 Q HN 0.438 nan 8.270 nan 0.000 0.428 306 D N 0.623 121.009 120.400 -0.023 0.000 2.104 306 D HA -0.147 4.491 4.640 -0.003 0.000 0.194 306 D C 1.795 178.051 176.300 -0.073 0.000 0.994 306 D CA 1.022 55.041 54.000 0.031 0.000 0.830 306 D CB -0.152 40.758 40.800 0.182 0.000 0.959 306 D HN 0.214 nan 8.370 nan 0.000 0.452 307 I N 0.603 121.014 120.570 -0.266 0.000 2.179 307 I HA -0.238 3.930 4.170 -0.003 0.000 0.242 307 I C 2.237 178.376 176.117 0.036 0.000 1.088 307 I CA 0.572 61.654 61.300 -0.362 0.000 1.357 307 I CB -0.110 37.518 38.000 -0.621 0.000 1.051 307 I HN 0.023 nan 8.210 nan 0.000 0.409 308 I N 0.532 121.176 120.570 0.123 0.000 2.179 308 I HA -0.280 3.888 4.170 -0.003 0.000 0.242 308 I C 2.684 178.969 176.117 0.280 0.000 1.088 308 I CA 1.535 63.018 61.300 0.306 0.000 1.357 308 I CB -1.230 36.883 38.000 0.188 0.000 1.051 308 I HN 0.311 nan 8.210 nan 0.000 0.409 309 R N 0.942 121.529 120.500 0.146 0.000 2.083 309 R HA -0.158 4.180 4.340 -0.003 0.000 0.237 309 R C 2.479 178.835 176.300 0.094 0.000 1.137 309 R CA 1.398 57.561 56.100 0.105 0.000 0.951 309 R CB -0.079 30.258 30.300 0.061 0.000 0.851 309 R HN 0.289 nan 8.270 nan 0.000 0.434 310 R N -0.562 119.993 120.500 0.092 0.000 2.096 310 R HA -0.159 4.180 4.340 -0.003 0.000 0.235 310 R C 2.223 178.585 176.300 0.103 0.000 1.127 310 R CA 1.519 57.668 56.100 0.082 0.000 0.968 310 R CB -0.495 29.849 30.300 0.074 0.000 0.861 310 R HN 0.253 nan 8.270 nan 0.000 0.440 311 F N 2.316 122.278 119.950 0.021 0.000 2.095 311 F HA -0.213 4.312 4.527 -0.003 0.000 0.298 311 F C 1.867 177.648 175.800 -0.032 0.000 1.104 311 F CA 1.631 59.631 58.000 0.001 0.000 1.232 311 F CB -0.055 39.014 39.000 0.116 0.000 0.987 311 F HN -0.196 nan 8.300 nan 0.000 0.475 312 K N -0.427 119.909 120.400 -0.107 0.000 2.211 312 K HA -0.038 4.280 4.320 -0.003 0.000 0.203 312 K C 1.366 177.849 176.600 -0.196 0.000 1.050 312 K CA 1.272 57.421 56.287 -0.230 0.000 0.945 312 K CB -0.259 32.227 32.500 -0.024 0.000 0.732 312 K HN 0.107 nan 8.250 nan 0.000 0.451 313 S N 0.633 116.275 115.700 -0.097 0.000 2.582 313 S HA 0.035 4.503 4.470 -0.003 0.000 0.249 313 S C 0.824 175.392 174.600 -0.054 0.000 1.072 313 S CA -0.118 58.062 58.200 -0.033 0.000 1.115 313 S CB 0.312 63.542 63.200 0.050 0.000 0.790 313 S HN 0.292 nan 8.310 nan 0.000 0.459 314 S N -0.135 115.448 115.700 -0.196 0.000 2.578 314 S HA 0.432 4.900 4.470 -0.003 0.000 0.228 314 S C 0.206 174.645 174.600 -0.268 0.000 1.022 314 S CA -0.361 57.689 58.200 -0.251 0.000 0.967 314 S CB 0.637 63.685 63.200 -0.254 0.000 0.914 314 S HN 0.307 nan 8.310 nan 0.000 0.515 326 F N 2.353 122.422 119.950 0.198 0.000 2.816 326 F HA 0.254 4.779 4.527 -0.003 0.000 0.302 326 F C 1.300 177.151 175.800 0.085 0.000 1.178 326 F CA 0.274 58.353 58.000 0.132 0.000 1.421 326 F CB 0.042 38.996 39.000 -0.078 0.000 1.114 326 F HN -0.039 nan 8.300 nan 0.000 0.573 327 D N 0.106 120.646 120.400 0.233 0.000 2.219 327 D HA -0.099 4.540 4.640 -0.003 0.000 0.205 327 D C 2.188 178.582 176.300 0.156 0.000 0.970 327 D CA 1.052 55.145 54.000 0.155 0.000 0.851 327 D CB -0.047 40.820 40.800 0.111 0.000 0.943 327 D HN 0.264 nan 8.370 nan 0.000 0.488 328 A N -0.608 122.344 122.820 0.220 0.000 2.275 328 A HA 0.068 4.387 4.320 -0.003 0.000 0.212 328 A C 1.681 179.409 177.584 0.240 0.000 1.201 328 A CA -0.299 51.868 52.037 0.218 0.000 0.843 328 A CB -0.629 18.503 19.000 0.221 0.000 0.873 328 A HN 0.144 nan 8.150 nan 0.000 0.492 329 F N 2.001 121.917 119.950 -0.057 0.000 2.069 329 F HA -0.107 4.418 4.527 -0.003 0.000 0.298 329 F C -0.833 174.871 175.800 -0.160 0.000 1.113 329 F CA 2.377 60.124 58.000 -0.422 0.000 1.214 329 F CB -0.431 38.258 39.000 -0.517 0.000 0.978 329 F HN 0.195 nan 8.300 nan 0.000 0.474 330 P HA -0.049 nan 4.420 nan 0.000 0.233 330 P C 0.527 177.795 177.300 -0.053 0.000 1.167 330 P CA 1.141 64.222 63.100 -0.031 0.000 0.770 330 P CB -0.060 31.642 31.700 0.003 0.000 0.837 331 D N -0.548 119.840 120.400 -0.020 0.000 2.289 331 D HA -0.023 4.615 4.640 -0.003 0.000 0.207 331 D C 1.505 177.796 176.300 -0.015 0.000 0.966 331 D CA 0.881 54.879 54.000 -0.003 0.000 0.868 331 D CB 0.118 40.934 40.800 0.027 0.000 0.943 331 D HN 0.135 nan 8.370 nan 0.000 0.514 332 K N 0.073 120.446 120.400 -0.046 0.000 2.380 332 K HA 0.214 4.532 4.320 -0.003 0.000 0.198 332 K C -0.061 176.459 176.600 -0.133 0.000 1.070 332 K CA 0.076 56.341 56.287 -0.038 0.000 1.040 332 K CB 2.267 34.837 32.500 0.117 0.000 0.903 332 K HN -0.052 nan 8.250 nan 0.000 0.549 333 V N 1.081 120.829 119.914 -0.276 0.000 2.638 333 V HA 0.603 4.721 4.120 -0.003 0.000 0.306 333 V C -1.010 175.010 176.094 -0.124 0.000 1.052 333 V CA -1.299 60.833 62.300 -0.280 0.000 0.885 333 V CB 1.780 33.099 31.823 -0.840 0.000 0.999 333 V HN 0.104 nan 8.190 nan 0.000 0.424 334 A N 5.741 128.549 122.820 -0.020 0.000 2.330 334 A HA 0.905 5.224 4.320 -0.003 0.000 0.313 334 A C -0.869 176.760 177.584 0.074 0.000 1.124 334 A CA -0.472 51.577 52.037 0.020 0.000 0.774 334 A CB 0.866 19.811 19.000 -0.091 0.000 1.198 334 A HN 0.783 nan 8.150 nan 0.000 0.465 335 I N 2.136 122.781 120.570 0.125 0.000 2.354 335 I HA 0.259 4.427 4.170 -0.003 0.000 0.286 335 I C -0.225 175.989 176.117 0.161 0.000 1.007 335 I CA -0.488 60.891 61.300 0.132 0.000 1.167 335 I CB 1.731 39.782 38.000 0.086 0.000 1.320 335 I HN 0.691 nan 8.210 nan 0.000 0.458 336 Q N 6.782 126.680 119.800 0.164 0.000 2.278 336 Q HA 0.506 4.845 4.340 -0.003 0.000 0.257 336 Q C -1.271 174.734 176.000 0.007 0.000 0.928 336 Q CA -0.222 55.707 55.803 0.211 0.000 0.932 336 Q CB 1.331 30.335 28.738 0.443 0.000 1.221 336 Q HN 0.569 nan 8.270 nan 0.000 0.434 337 L N 3.826 125.089 121.223 0.066 0.000 2.259 337 L HA 0.412 4.750 4.340 -0.003 0.000 0.288 337 L C -0.033 176.864 176.870 0.044 0.000 1.051 337 L CA -0.805 54.064 54.840 0.048 0.000 0.824 337 L CB 0.719 42.857 42.059 0.132 0.000 1.206 337 L HN 0.548 nan 8.230 nan 0.000 0.429 338 N N 4.503 123.142 118.700 -0.102 0.000 2.421 338 N HA 0.038 4.776 4.740 -0.003 0.000 0.260 338 N C -0.075 175.481 175.510 0.075 0.000 1.173 338 N CA 0.604 53.667 53.050 0.023 0.000 0.960 338 N CB -0.065 38.351 38.487 -0.119 0.000 1.273 338 N HN 0.621 nan 8.380 nan 0.000 0.497 339 D N 0.088 120.623 120.400 0.225 0.000 4.658 339 D HA -0.226 4.413 4.640 -0.003 0.000 0.304 339 D C 0.254 176.644 176.300 0.150 0.000 2.363 339 D CA 1.525 55.613 54.000 0.146 0.000 1.179 339 D CB -0.413 40.156 40.800 -0.384 0.000 1.091 339 D HN 0.545 nan 8.370 nan 0.000 1.274 340 T N -2.259 112.326 114.554 0.051 0.000 3.148 340 T HA 0.073 4.421 4.350 -0.003 0.000 0.253 340 T C 1.602 176.379 174.700 0.128 0.000 1.134 340 T CA 1.461 63.563 62.100 0.003 0.000 1.051 340 T CB -0.501 68.323 68.868 -0.072 0.000 0.959 340 T HN 0.491 nan 8.240 nan 0.000 0.525 341 H N 2.546 121.711 119.070 0.160 0.000 2.352 341 H HA 0.001 4.555 4.556 -0.003 0.000 0.299 341 H C -0.793 174.631 175.328 0.160 0.000 1.097 341 H CA 0.969 57.127 56.048 0.184 0.000 1.311 341 H CB -0.836 29.039 29.762 0.189 0.000 1.377 341 H HN 0.435 nan 8.280 nan 0.000 0.504 342 P HA 0.075 nan 4.420 nan 0.000 0.259 342 P C 0.777 178.129 177.300 0.087 0.000 1.530 342 P CA 0.374 63.564 63.100 0.150 0.000 1.022 342 P CB 0.313 32.091 31.700 0.129 0.000 1.514 343 S N -0.029 115.713 115.700 0.070 0.000 2.419 343 S HA -0.151 4.317 4.470 -0.003 0.000 0.235 343 S C 1.808 176.414 174.600 0.011 0.000 1.019 343 S CA 0.824 59.024 58.200 -0.001 0.000 0.982 343 S CB -1.578 61.588 63.200 -0.056 0.000 0.789 343 S HN 0.148 nan 8.310 nan 0.000 0.490 344 L N 1.081 122.325 121.223 0.035 0.000 2.447 344 L HA -0.053 4.285 4.340 -0.003 0.000 0.225 344 L C 2.929 179.840 176.870 0.069 0.000 1.148 344 L CA 0.686 55.549 54.840 0.038 0.000 0.808 344 L CB -0.784 41.294 42.059 0.032 0.000 0.928 344 L HN 0.492 nan 8.230 nan 0.000 0.448 345 A N 0.434 123.278 122.820 0.039 0.000 1.978 345 A HA -0.191 4.127 4.320 -0.003 0.000 0.220 345 A C 2.168 179.759 177.584 0.012 0.000 1.170 345 A CA 1.451 53.497 52.037 0.015 0.000 0.636 345 A CB -0.441 18.558 19.000 -0.001 0.000 0.810 345 A HN 0.370 nan 8.150 nan 0.000 0.448 346 I N 0.338 120.918 120.570 0.017 0.000 2.090 346 I HA -0.150 4.018 4.170 -0.003 0.000 0.236 346 I C -0.317 175.834 176.117 0.057 0.000 1.064 346 I CA 1.632 62.945 61.300 0.022 0.000 1.324 346 I CB -0.995 37.025 38.000 0.032 0.000 1.044 346 I HN 0.239 nan 8.210 nan 0.000 0.399 347 P HA -0.182 nan 4.420 nan 0.000 0.221 347 P C 1.294 178.621 177.300 0.046 0.000 1.150 347 P CA 1.542 64.685 63.100 0.070 0.000 0.800 347 P CB 0.020 31.790 31.700 0.115 0.000 0.787 348 E N 0.281 120.586 120.200 0.175 0.000 2.051 348 E HA -0.164 4.184 4.350 -0.003 0.000 0.192 348 E C 1.959 178.546 176.600 -0.022 0.000 0.991 348 E CA 0.758 57.272 56.400 0.190 0.000 0.799 348 E CB -1.239 28.626 29.700 0.275 0.000 0.748 348 E HN 0.002 nan 8.360 nan 0.000 0.449 349 L N -0.052 121.128 121.223 -0.072 0.000 2.017 349 L HA -0.134 4.204 4.340 -0.003 0.000 0.208 349 L C 2.154 178.870 176.870 -0.257 0.000 1.073 349 L CA 1.820 56.551 54.840 -0.181 0.000 0.745 349 L CB -0.606 41.347 42.059 -0.176 0.000 0.894 349 L HN 0.244 nan 8.230 nan 0.000 0.432 350 M N -0.733 118.734 119.600 -0.222 0.000 2.080 350 M HA -0.250 4.228 4.480 -0.003 0.000 0.260 350 M C 2.456 178.565 176.300 -0.319 0.000 1.068 350 M CA 1.684 56.789 55.300 -0.324 0.000 1.109 350 M CB -1.276 31.115 32.600 -0.349 0.000 1.342 350 M HN 0.342 nan 8.290 nan 0.000 0.405 351 R N -0.074 120.272 120.500 -0.257 0.000 2.083 351 R HA -0.135 4.203 4.340 -0.003 0.000 0.237 351 R C 2.100 178.282 176.300 -0.196 0.000 1.137 351 R CA 1.720 57.673 56.100 -0.245 0.000 0.951 351 R CB -0.218 29.880 30.300 -0.337 0.000 0.851 351 R HN 0.216 nan 8.270 nan 0.000 0.434 352 V N 1.481 121.280 119.914 -0.192 0.000 2.261 352 V HA -0.271 3.847 4.120 -0.003 0.000 0.246 352 V C 2.429 178.351 176.094 -0.288 0.000 1.047 352 V CA 1.855 64.037 62.300 -0.198 0.000 1.015 352 V CB -0.426 31.280 31.823 -0.195 0.000 0.642 352 V HN 0.345 nan 8.190 nan 0.000 0.446 353 L N -0.691 120.290 121.223 -0.403 0.000 2.046 353 L HA -0.135 4.204 4.340 -0.003 0.000 0.208 353 L C 2.379 179.046 176.870 -0.338 0.000 1.077 353 L CA 1.114 55.642 54.840 -0.521 0.000 0.747 353 L CB -0.581 41.111 42.059 -0.612 0.000 0.896 353 L HN 0.199 nan 8.230 nan 0.000 0.432 354 V N -0.639 119.120 119.914 -0.259 0.000 2.331 354 V HA -0.182 3.936 4.120 -0.003 0.000 0.242 354 V C 1.958 178.000 176.094 -0.086 0.000 1.034 354 V CA 1.684 63.898 62.300 -0.143 0.000 1.027 354 V CB -0.347 31.419 31.823 -0.094 0.000 0.667 354 V HN 0.354 nan 8.190 nan 0.000 0.457 355 D N -0.081 120.262 120.400 -0.094 0.000 2.162 355 D HA -0.001 4.637 4.640 -0.003 0.000 0.203 355 D C 2.023 178.290 176.300 -0.055 0.000 0.967 355 D CA 1.159 55.124 54.000 -0.059 0.000 0.840 355 D CB 0.097 40.858 40.800 -0.065 0.000 0.972 355 D HN 0.328 nan 8.370 nan 0.000 0.482 356 L N 0.183 121.358 121.223 -0.080 0.000 2.362 356 L HA 0.120 4.458 4.340 -0.003 0.000 0.204 356 L C 1.841 178.679 176.870 -0.053 0.000 1.060 356 L CA 0.471 55.276 54.840 -0.058 0.000 0.827 356 L CB 0.091 42.115 42.059 -0.058 0.000 1.027 356 L HN -0.190 nan 8.230 nan 0.000 0.474 357 E N 0.376 120.509 120.200 -0.111 0.000 2.447 357 E HA 0.048 4.397 4.350 -0.003 0.000 0.195 357 E C 0.168 176.733 176.600 -0.058 0.000 1.028 357 E CA -0.059 56.287 56.400 -0.091 0.000 0.876 357 E CB 0.355 29.880 29.700 -0.291 0.000 0.885 357 E HN 0.202 nan 8.360 nan 0.000 0.500 358 R N 0.191 120.649 120.500 -0.070 0.000 3.656 358 R HA -0.160 4.178 4.340 -0.003 0.000 0.297 358 R C -0.113 176.172 176.300 -0.024 0.000 1.166 358 R CA 0.348 56.431 56.100 -0.029 0.000 0.799 358 R CB -2.603 27.700 30.300 0.004 0.000 1.285 358 R HN 0.206 nan 8.270 nan 0.000 0.477 359 L N 1.835 123.013 121.223 -0.075 0.000 2.436 359 L HA 0.154 4.492 4.340 -0.003 0.000 0.265 359 L C 1.399 178.259 176.870 -0.016 0.000 1.168 359 L CA -0.321 54.486 54.840 -0.055 0.000 0.815 359 L CB 0.385 42.363 42.059 -0.135 0.000 1.109 359 L HN 0.108 nan 8.230 nan 0.000 0.462 360 D N 0.597 121.013 120.400 0.026 0.000 2.382 360 D HA -0.140 4.498 4.640 -0.003 0.000 0.240 360 D C 0.836 177.203 176.300 0.111 0.000 1.146 360 D CA -0.471 53.579 54.000 0.083 0.000 0.897 360 D CB 1.133 41.986 40.800 0.090 0.000 1.197 360 D HN 0.660 nan 8.370 nan 0.000 0.432 361 W N 2.046 123.346 121.300 -0.001 0.000 2.317 361 W HA -0.244 4.414 4.660 -0.003 0.000 0.318 361 W C 0.978 177.537 176.519 0.067 0.000 1.227 361 W CA 1.968 59.319 57.345 0.009 0.000 1.269 361 W CB -0.225 29.223 29.460 -0.021 0.000 1.155 361 W HN 0.446 nan 8.180 nan 0.000 0.484 362 D N 0.231 120.827 120.400 0.328 0.000 2.123 362 D HA -0.200 4.438 4.640 -0.003 0.000 0.196 362 D C 1.899 178.301 176.300 0.169 0.000 0.992 362 D CA 1.925 56.091 54.000 0.276 0.000 0.833 362 D CB -0.419 40.510 40.800 0.215 0.000 0.954 362 D HN 0.058 nan 8.370 nan 0.000 0.455 363 K N 0.982 121.437 120.400 0.093 0.000 2.062 363 K HA 0.055 4.373 4.320 -0.003 0.000 0.205 363 K C 1.816 178.401 176.600 -0.025 0.000 1.051 363 K CA 1.297 57.609 56.287 0.042 0.000 0.941 363 K CB -0.530 31.991 32.500 0.036 0.000 0.719 363 K HN 0.003 nan 8.250 nan 0.000 0.440 364 A N 0.431 123.195 122.820 -0.094 0.000 1.940 364 A HA -0.188 4.130 4.320 -0.003 0.000 0.219 364 A C 2.220 179.701 177.584 -0.171 0.000 1.176 364 A CA 1.489 53.395 52.037 -0.217 0.000 0.631 364 A CB -1.117 17.686 19.000 -0.328 0.000 0.814 364 A HN 0.694 nan 8.150 nan 0.000 0.446 365 W N 0.538 121.638 121.300 -0.333 0.000 2.418 365 W HA -0.119 4.540 4.660 -0.003 0.000 0.292 365 W C 1.945 178.409 176.519 -0.092 0.000 1.213 365 W CA 1.548 58.748 57.345 -0.242 0.000 1.283 365 W CB -0.072 29.285 29.460 -0.171 0.000 1.119 365 W HN 0.609 nan 8.180 nan 0.000 0.542 366 E N 0.224 120.405 120.200 -0.031 0.000 2.058 366 E HA -0.234 4.115 4.350 -0.003 0.000 0.194 366 E C 2.033 178.545 176.600 -0.146 0.000 0.997 366 E CA 2.040 58.389 56.400 -0.085 0.000 0.801 366 E CB -0.308 29.398 29.700 0.010 0.000 0.746 366 E HN 0.047 nan 8.360 nan 0.000 0.450 367 V N 0.703 120.543 119.914 -0.123 0.000 2.295 367 V HA -0.274 3.844 4.120 -0.003 0.000 0.246 367 V C 2.437 178.447 176.094 -0.140 0.000 1.049 367 V CA 2.240 64.480 62.300 -0.100 0.000 1.024 367 V CB -0.863 30.878 31.823 -0.136 0.000 0.648 367 V HN 0.379 nan 8.190 nan 0.000 0.447 368 T N 0.080 114.477 114.554 -0.263 0.000 2.684 368 T HA -0.179 4.169 4.350 -0.003 0.000 0.267 368 T C 1.941 176.441 174.700 -0.333 0.000 1.036 368 T CA 1.811 63.730 62.100 -0.301 0.000 1.148 368 T CB -0.286 68.358 68.868 -0.374 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.436 369 V N 1.297 120.888 119.914 -0.538 0.000 2.295 369 V HA -0.162 3.956 4.120 -0.003 0.000 0.246 369 V C 2.403 178.452 176.094 -0.075 0.000 1.049 369 V CA 1.614 63.671 62.300 -0.405 0.000 1.024 369 V CB -0.491 31.016 31.823 -0.527 0.000 0.648 369 V HN 0.441 nan 8.190 nan 0.000 0.447 370 K N -0.381 119.954 120.400 -0.110 0.000 2.209 370 K HA -0.126 4.192 4.320 -0.003 0.000 0.204 370 K C 2.129 178.703 176.600 -0.044 0.000 1.048 370 K CA 1.710 57.919 56.287 -0.128 0.000 0.940 370 K CB -0.244 32.178 32.500 -0.130 0.000 0.729 370 K HN 0.491 nan 8.250 nan 0.000 0.451 371 T N 0.096 114.680 114.554 0.049 0.000 2.937 371 T HA 0.007 4.355 4.350 -0.003 0.000 0.260 371 T C 0.915 175.726 174.700 0.186 0.000 1.051 371 T CA 0.454 62.623 62.100 0.116 0.000 1.141 371 T CB 0.093 69.067 68.868 0.177 0.000 0.879 371 T HN 0.165 nan 8.240 nan 0.000 0.459 372 C N 2.200 121.590 119.300 0.150 0.000 2.365 372 C HA 0.892 5.351 4.460 -0.003 0.000 0.351 372 C C 0.559 175.596 174.990 0.079 0.000 1.240 372 C CA -1.229 57.853 59.018 0.105 0.000 2.062 372 C CB 0.232 27.973 27.740 0.002 0.000 2.387 372 C HN 0.597 nan 8.230 nan 0.000 0.537 373 A N 1.970 124.832 122.820 0.071 0.000 2.539 373 A HA 0.784 5.103 4.320 -0.003 0.000 0.296 373 A C -1.617 176.032 177.584 0.107 0.000 1.073 373 A CA -0.435 51.587 52.037 -0.024 0.000 0.700 373 A CB 1.106 20.081 19.000 -0.041 0.000 1.296 373 A HN 0.956 nan 8.150 nan 0.000 0.405 374 Y N 0.938 121.178 120.300 -0.100 0.000 2.391 374 Y HA 0.639 5.187 4.550 -0.003 0.000 0.341 374 Y C -0.588 175.281 175.900 -0.053 0.000 0.965 374 Y CA -0.336 57.715 58.100 -0.081 0.000 1.067 374 Y CB 2.095 40.460 38.460 -0.159 0.000 1.199 374 Y HN 0.577 nan 8.280 nan 0.000 0.450 375 T N 6.482 120.807 114.554 -0.382 0.000 2.770 375 T HA 0.199 4.547 4.350 -0.003 0.000 0.283 375 T C -0.817 173.372 174.700 -0.850 0.000 0.988 375 T CA -0.800 61.003 62.100 -0.495 0.000 0.957 375 T CB 0.486 69.312 68.868 -0.070 0.000 0.930 375 T HN 0.643 nan 8.240 nan 0.000 0.443 376 N N 1.705 119.913 118.700 -0.819 0.000 2.456 376 N HA 0.148 4.887 4.740 -0.003 0.000 0.288 376 N C -0.059 175.288 175.510 -0.271 0.000 1.059 376 N CA -0.365 52.439 53.050 -0.411 0.000 0.946 376 N CB 0.829 39.269 38.487 -0.079 0.000 1.150 376 N HN 0.664 nan 8.380 nan 0.000 0.479 377 H N 0.894 120.011 119.070 0.078 0.000 3.058 377 H HA 0.186 4.740 4.556 -0.003 0.000 0.266 377 H C -0.205 175.036 175.328 -0.146 0.000 1.135 377 H CA -0.062 55.968 56.048 -0.029 0.000 1.174 377 H CB 1.106 30.858 29.762 -0.016 0.000 1.581 377 H HN 0.542 nan 8.280 nan 0.000 0.553 378 T N 0.142 114.713 114.554 0.028 0.000 2.775 378 T HA 0.238 4.586 4.350 -0.003 0.000 0.320 378 T C 0.320 175.046 174.700 0.043 0.000 1.597 378 T CA -0.231 61.834 62.100 -0.059 0.000 1.022 378 T CB 1.236 70.067 68.868 -0.062 0.000 1.485 378 T HN -0.058 nan 8.240 nan 0.000 0.494 379 V N 1.039 120.935 119.914 -0.029 0.000 3.556 379 V HA 0.553 4.671 4.120 -0.003 0.000 0.287 379 V C 0.628 176.695 176.094 -0.045 0.000 1.422 379 V CA -0.016 62.264 62.300 -0.033 0.000 1.038 379 V CB -0.377 31.429 31.823 -0.029 0.000 0.850 379 V HN 0.679 nan 8.190 nan 0.000 0.437 380 L N 3.119 124.309 121.223 -0.054 0.000 2.477 380 L HA 0.239 4.577 4.340 -0.003 0.000 0.272 380 L C -0.672 176.209 176.870 0.019 0.000 1.157 380 L CA -1.130 53.707 54.840 -0.005 0.000 0.889 380 L CB 0.633 42.689 42.059 -0.005 0.000 1.158 380 L HN 0.106 nan 8.230 nan 0.000 0.473 381 P HA -0.217 nan 4.420 nan 0.000 0.216 381 P C 0.996 178.304 177.300 0.014 0.000 1.150 381 P CA 1.270 64.377 63.100 0.012 0.000 0.837 381 P CB 0.065 31.775 31.700 0.016 0.000 0.786 382 E N 0.370 120.603 120.200 0.056 0.000 2.418 382 E HA -0.040 4.309 4.350 -0.003 0.000 0.197 382 E C 1.535 178.135 176.600 0.000 0.000 1.026 382 E CA 0.937 57.364 56.400 0.046 0.000 0.862 382 E CB -0.672 29.131 29.700 0.172 0.000 0.799 382 E HN 0.179 nan 8.360 nan 0.000 0.518 383 A N 1.086 123.939 122.820 0.055 0.000 2.238 383 A HA 0.267 4.585 4.320 -0.003 0.000 0.210 383 A C 1.137 178.742 177.584 0.034 0.000 1.179 383 A CA -0.251 51.834 52.037 0.080 0.000 0.827 383 A CB -0.039 19.024 19.000 0.105 0.000 0.856 383 A HN 0.152 nan 8.150 nan 0.000 0.488 384 L N 0.776 121.970 121.223 -0.049 0.000 2.334 384 L HA 0.296 4.634 4.340 -0.003 0.000 0.277 384 L C -0.146 176.430 176.870 -0.490 0.000 1.075 384 L CA -0.504 54.249 54.840 -0.146 0.000 0.804 384 L CB 1.208 43.216 42.059 -0.084 0.000 1.174 384 L HN 0.234 nan 8.230 nan 0.000 0.438 385 E N 3.362 123.150 120.200 -0.688 0.000 2.223 385 E HA 0.279 4.628 4.350 -0.003 0.000 0.282 385 E C -0.718 175.217 176.600 -1.109 0.000 1.046 385 E CA -0.252 55.236 56.400 -1.521 0.000 0.857 385 E CB 0.873 30.020 29.700 -0.922 0.000 1.055 385 E HN 0.379 nan 8.360 nan 0.000 0.409 386 R N 3.778 123.490 120.500 -1.314 0.000 2.472 386 R HA 0.192 4.531 4.340 -0.003 0.000 0.294 386 R C -1.271 174.845 176.300 -0.306 0.000 1.243 386 R CA -0.567 55.218 56.100 -0.525 0.000 1.023 386 R CB 0.866 31.002 30.300 -0.273 0.000 1.157 386 R HN 0.458 nan 8.270 nan 0.000 0.530 387 W N 4.389 125.643 121.300 -0.077 0.000 2.316 387 W HA 0.291 4.949 4.660 -0.003 0.000 0.311 387 W C -1.926 174.582 176.519 -0.018 0.000 1.217 387 W CA -2.194 55.166 57.345 0.026 0.000 1.199 387 W CB 0.780 30.227 29.460 -0.020 0.000 1.202 387 W HN 0.251 nan 8.180 nan 0.000 0.528 388 P HA -0.113 nan 4.420 nan 0.000 0.264 388 P C 0.906 178.207 177.300 0.002 0.000 1.193 388 P CA 0.190 63.342 63.100 0.087 0.000 0.763 388 P CB 0.656 32.352 31.700 -0.006 0.000 0.810 389 V N 2.598 122.554 119.914 0.070 0.000 2.469 389 V HA -0.295 3.823 4.120 -0.003 0.000 0.251 389 V C 2.053 178.175 176.094 0.046 0.000 1.064 389 V CA 2.077 64.411 62.300 0.058 0.000 1.066 389 V CB -1.795 30.115 31.823 0.145 0.000 0.667 389 V HN 0.700 nan 8.190 nan 0.000 0.461 390 H N 0.122 119.251 119.070 0.097 0.000 2.387 390 H HA -0.136 4.418 4.556 -0.003 0.000 0.299 390 H C 2.195 177.574 175.328 0.084 0.000 1.090 390 H CA 2.036 58.138 56.048 0.090 0.000 1.332 390 H CB -0.330 29.485 29.762 0.089 0.000 1.386 390 H HN 0.473 nan 8.280 nan 0.000 0.516 391 L N 1.242 122.105 121.223 -0.600 0.000 2.017 391 L HA -0.083 4.255 4.340 -0.003 0.000 0.208 391 L C 2.667 179.448 176.870 -0.149 0.000 1.073 391 L CA 1.216 55.869 54.840 -0.311 0.000 0.745 391 L CB -0.819 41.055 42.059 -0.309 0.000 0.894 391 L HN 0.251 nan 8.230 nan 0.000 0.432 392 L N -0.837 120.291 121.223 -0.157 0.000 2.093 392 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 392 L C 2.547 179.351 176.870 -0.110 0.000 1.085 392 L CA 1.465 56.203 54.840 -0.170 0.000 0.755 392 L CB -0.523 41.433 42.059 -0.173 0.000 0.904 392 L HN 0.402 nan 8.230 nan 0.000 0.435 393 E N -0.421 119.757 120.200 -0.037 0.000 2.077 393 E HA -0.204 4.145 4.350 -0.003 0.000 0.193 393 E C 1.937 178.576 176.600 0.064 0.000 0.989 393 E CA 1.787 58.199 56.400 0.021 0.000 0.800 393 E CB 0.151 29.903 29.700 0.087 0.000 0.746 393 E HN 0.417 nan 8.360 nan 0.000 0.452 394 T N 1.015 115.630 114.554 0.102 0.000 2.732 394 T HA -0.113 4.235 4.350 -0.003 0.000 0.261 394 T C 1.765 176.600 174.700 0.226 0.000 1.040 394 T CA 0.937 63.156 62.100 0.198 0.000 1.145 394 T CB -0.202 68.814 68.868 0.246 0.000 0.866 394 T HN 0.086 nan 8.240 nan 0.000 0.427 395 L N 0.072 121.323 121.223 0.046 0.000 2.072 395 L HA 0.286 4.624 4.340 -0.003 0.000 0.205 395 L C 0.452 177.276 176.870 -0.076 0.000 1.079 395 L CA 1.663 56.401 54.840 -0.171 0.000 0.752 395 L CB -0.044 41.852 42.059 -0.272 0.000 0.906 395 L HN 0.192 nan 8.230 nan 0.000 0.436 396 L N 0.566 121.702 121.223 -0.145 0.000 2.551 396 L HA 0.289 4.627 4.340 -0.003 0.000 0.248 396 L C -1.710 174.984 176.870 -0.295 0.000 1.509 396 L CA -0.985 53.683 54.840 -0.287 0.000 0.842 396 L CB 0.873 42.619 42.059 -0.523 0.000 1.087 396 L HN -0.055 nan 8.230 nan 0.000 0.512 397 P HA -0.196 nan 4.420 nan 0.000 0.216 397 P C 1.459 178.576 177.300 -0.305 0.000 1.150 397 P CA 1.116 64.107 63.100 -0.182 0.000 0.837 397 P CB 0.383 32.051 31.700 -0.054 0.000 0.786 398 R N -0.190 119.938 120.500 -0.620 0.000 2.092 398 R HA -0.134 4.204 4.340 -0.003 0.000 0.231 398 R C 2.270 178.263 176.300 -0.512 0.000 1.119 398 R CA 1.634 57.372 56.100 -0.604 0.000 0.970 398 R CB -1.632 28.133 30.300 -0.891 0.000 0.864 398 R HN 0.262 nan 8.270 nan 0.000 0.440 399 H N -0.731 118.027 119.070 -0.519 0.000 2.357 399 H HA -0.047 4.507 4.556 -0.003 0.000 0.301 399 H C 1.576 176.736 175.328 -0.279 0.000 1.082 399 H CA 1.542 57.370 56.048 -0.366 0.000 1.342 399 H CB -0.168 29.338 29.762 -0.426 0.000 1.389 399 H HN 0.096 nan 8.280 nan 0.000 0.511 400 L N 0.897 122.005 121.223 -0.192 0.000 2.046 400 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 400 L C 1.939 178.642 176.870 -0.279 0.000 1.077 400 L CA 1.674 56.340 54.840 -0.290 0.000 0.747 400 L CB -0.508 41.400 42.059 -0.252 0.000 0.896 400 L HN 0.285 nan 8.230 nan 0.000 0.432 401 Q N -0.716 119.023 119.800 -0.102 0.000 2.084 401 Q HA -0.211 4.127 4.340 -0.003 0.000 0.202 401 Q C 2.303 178.329 176.000 0.043 0.000 0.978 401 Q CA 2.090 57.917 55.803 0.040 0.000 0.844 401 Q CB -0.235 28.531 28.738 0.047 0.000 0.898 401 Q HN 0.572 nan 8.270 nan 0.000 0.426 402 I N 0.306 120.884 120.570 0.013 0.000 2.315 402 I HA -0.265 3.903 4.170 -0.003 0.000 0.248 402 I C 2.152 178.342 176.117 0.122 0.000 1.117 402 I CA 0.922 62.320 61.300 0.163 0.000 1.404 402 I CB -0.148 37.893 38.000 0.068 0.000 1.071 402 I HN 0.186 nan 8.210 nan 0.000 0.419 403 I N -0.316 120.239 120.570 -0.025 0.000 2.163 403 I HA -0.338 3.830 4.170 -0.003 0.000 0.243 403 I C 2.453 178.561 176.117 -0.015 0.000 1.085 403 I CA 1.591 62.853 61.300 -0.064 0.000 1.347 403 I CB -0.437 37.455 38.000 -0.181 0.000 1.044 403 I HN 0.143 nan 8.210 nan 0.000 0.408 404 Y N 0.802 121.101 120.300 -0.002 0.000 2.165 404 Y HA -0.302 4.246 4.550 -0.003 0.000 0.286 404 Y C 2.615 178.472 175.900 -0.071 0.000 1.155 404 Y CA 1.722 59.806 58.100 -0.027 0.000 1.164 404 Y CB -0.820 37.617 38.460 -0.039 0.000 0.978 404 Y HN 0.211 nan 8.280 nan 0.000 0.513 405 E N 0.310 120.534 120.200 0.041 0.000 2.072 405 E HA -0.132 4.216 4.350 -0.003 0.000 0.191 405 E C 2.079 178.592 176.600 -0.145 0.000 0.985 405 E CA 1.141 57.424 56.400 -0.196 0.000 0.801 405 E CB -0.544 28.818 29.700 -0.563 0.000 0.750 405 E HN 0.478 nan 8.360 nan 0.000 0.452 406 I N 0.749 121.322 120.570 0.006 0.000 2.163 406 I HA -0.309 3.859 4.170 -0.003 0.000 0.243 406 I C 2.259 178.360 176.117 -0.025 0.000 1.085 406 I CA 1.470 62.696 61.300 -0.123 0.000 1.347 406 I CB -0.380 37.529 38.000 -0.151 0.000 1.044 406 I HN 0.214 nan 8.210 nan 0.000 0.408 407 N N 0.542 119.282 118.700 0.066 0.000 2.120 407 N HA -0.263 4.476 4.740 -0.003 0.000 0.188 407 N C 1.820 177.416 175.510 0.143 0.000 1.024 407 N CA 1.483 54.630 53.050 0.161 0.000 0.852 407 N CB -0.115 38.485 38.487 0.188 0.000 1.003 407 N HN 0.228 nan 8.380 nan 0.000 0.424 408 Q N 0.623 120.454 119.800 0.051 0.000 2.050 408 Q HA -0.027 4.311 4.340 -0.003 0.000 0.202 408 Q C 1.985 177.976 176.000 -0.015 0.000 0.980 408 Q CA 1.709 57.509 55.803 -0.005 0.000 0.840 408 Q CB -0.124 28.570 28.738 -0.073 0.000 0.898 408 Q HN 0.342 nan 8.270 nan 0.000 0.424 409 R N -1.078 119.395 120.500 -0.044 0.000 2.092 409 R HA -0.058 4.280 4.340 -0.003 0.000 0.231 409 R C 2.126 178.465 176.300 0.065 0.000 1.119 409 R CA 1.204 57.283 56.100 -0.035 0.000 0.970 409 R CB -0.455 29.782 30.300 -0.105 0.000 0.864 409 R HN 0.290 nan 8.270 nan 0.000 0.440 410 F N 1.396 121.337 119.950 -0.016 0.000 2.102 410 F HA -0.117 4.408 4.527 -0.003 0.000 0.298 410 F C 1.741 177.580 175.800 0.066 0.000 1.105 410 F CA 1.404 59.447 58.000 0.072 0.000 1.239 410 F CB -0.147 38.927 39.000 0.123 0.000 0.991 410 F HN -0.108 nan 8.300 nan 0.000 0.474 411 L N 0.048 121.279 121.223 0.014 0.000 2.141 411 L HA -0.217 4.121 4.340 -0.003 0.000 0.209 411 L C 2.109 178.915 176.870 -0.106 0.000 1.094 411 L CA 0.859 55.647 54.840 -0.087 0.000 0.763 411 L CB -0.838 41.238 42.059 0.029 0.000 0.908 411 L HN 0.151 nan 8.230 nan 0.000 0.437 412 N N 0.481 119.141 118.700 -0.066 0.000 2.166 412 N HA -0.157 4.581 4.740 -0.003 0.000 0.186 412 N C 1.906 177.370 175.510 -0.076 0.000 1.019 412 N CA 1.195 54.209 53.050 -0.060 0.000 0.856 412 N CB -0.184 38.277 38.487 -0.043 0.000 0.993 412 N HN 0.309 nan 8.380 nan 0.000 0.426 413 R N 0.208 120.644 120.500 -0.106 0.000 2.075 413 R HA 0.006 4.344 4.340 -0.003 0.000 0.232 413 R C 2.114 178.324 176.300 -0.151 0.000 1.126 413 R CA 0.804 56.838 56.100 -0.111 0.000 0.963 413 R CB -0.394 29.854 30.300 -0.087 0.000 0.858 413 R HN 0.039 nan 8.270 nan 0.000 0.435 414 V N 1.151 120.912 119.914 -0.254 0.000 2.287 414 V HA -0.266 3.852 4.120 -0.003 0.000 0.248 414 V C 2.474 178.569 176.094 0.002 0.000 1.053 414 V CA 2.044 64.263 62.300 -0.135 0.000 1.027 414 V CB -0.802 30.865 31.823 -0.260 0.000 0.646 414 V HN 0.413 nan 8.190 nan 0.000 0.447 415 A N -0.079 122.714 122.820 -0.044 0.000 1.940 415 A HA -0.123 4.196 4.320 -0.003 0.000 0.219 415 A C 2.393 179.963 177.584 -0.023 0.000 1.176 415 A CA 2.181 54.208 52.037 -0.016 0.000 0.631 415 A CB -0.712 18.270 19.000 -0.031 0.000 0.814 415 A HN 0.589 nan 8.150 nan 0.000 0.446 416 A N -0.418 122.371 122.820 -0.052 0.000 1.897 416 A HA 0.266 4.584 4.320 -0.003 0.000 0.215 416 A C 2.442 179.952 177.584 -0.123 0.000 1.181 416 A CA 1.791 53.786 52.037 -0.070 0.000 0.620 416 A CB -0.822 18.141 19.000 -0.062 0.000 0.821 416 A HN 0.999 nan 8.150 nan 0.000 0.443 417 A N -1.712 121.003 122.820 -0.175 0.000 1.970 417 A HA 0.308 4.626 4.320 -0.003 0.000 0.216 417 A C 0.506 177.669 177.584 -0.701 0.000 1.170 417 A CA 0.646 52.425 52.037 -0.429 0.000 0.645 417 A CB -0.250 18.467 19.000 -0.473 0.000 0.816 417 A HN 0.434 nan 8.150 nan 0.000 0.447 418 F N -0.226 119.679 119.950 -0.076 0.000 2.584 418 F HA 0.335 4.860 4.527 -0.003 0.000 0.328 418 F C -2.800 172.964 175.800 -0.061 0.000 1.407 418 F CA -2.736 55.223 58.000 -0.068 0.000 1.145 418 F CB 0.923 39.873 39.000 -0.083 0.000 1.440 418 F HN -0.069 nan 8.300 nan 0.000 0.580 419 P HA 0.204 nan 4.420 nan 0.000 0.267 419 P C 0.986 178.305 177.300 0.032 0.000 1.209 419 P CA 0.949 64.061 63.100 0.020 0.000 0.763 419 P CB 0.877 32.570 31.700 -0.011 0.000 0.816 420 G N 2.712 111.525 108.800 0.022 0.000 2.205 420 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.261 420 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.261 420 G C 0.301 175.211 174.900 0.016 0.000 0.980 420 G CA -0.050 45.058 45.100 0.014 0.000 0.632 420 G HN 0.593 nan 8.290 nan 0.000 0.533 421 D N 1.151 121.570 120.400 0.032 0.000 2.498 421 D HA 0.434 5.072 4.640 -0.003 0.000 0.229 421 D C 1.698 177.986 176.300 -0.020 0.000 1.188 421 D CA 0.178 54.181 54.000 0.004 0.000 1.028 421 D CB 0.556 41.357 40.800 0.002 0.000 1.087 421 D HN 0.097 nan 8.370 nan 0.000 0.510 422 V N 2.690 122.594 119.914 -0.017 0.000 2.453 422 V HA -0.185 3.933 4.120 -0.003 0.000 0.247 422 V C 2.000 178.080 176.094 -0.024 0.000 1.048 422 V CA 1.441 63.731 62.300 -0.017 0.000 1.049 422 V CB -0.291 31.527 31.823 -0.010 0.000 0.672 422 V HN 0.433 nan 8.190 nan 0.000 0.457 423 D N -0.003 120.379 120.400 -0.030 0.000 2.144 423 D HA -0.193 4.445 4.640 -0.003 0.000 0.199 423 D C 2.348 178.617 176.300 -0.052 0.000 0.984 423 D CA 1.156 55.138 54.000 -0.030 0.000 0.834 423 D CB -0.137 40.646 40.800 -0.028 0.000 0.955 423 D HN 0.230 nan 8.370 nan 0.000 0.465 424 R N -0.160 120.282 120.500 -0.096 0.000 2.091 424 R HA -0.118 4.220 4.340 -0.003 0.000 0.238 424 R C 2.385 178.605 176.300 -0.133 0.000 1.136 424 R CA 1.008 57.011 56.100 -0.163 0.000 0.959 424 R CB -0.329 29.807 30.300 -0.274 0.000 0.856 424 R HN 0.265 nan 8.270 nan 0.000 0.437 425 L N 0.181 121.353 121.223 -0.085 0.000 2.013 425 L HA -0.240 4.098 4.340 -0.003 0.000 0.212 425 L C 2.943 179.815 176.870 0.004 0.000 1.073 425 L CA 1.761 56.574 54.840 -0.044 0.000 0.753 425 L CB -0.576 41.469 42.059 -0.024 0.000 0.890 425 L HN 0.297 nan 8.230 nan 0.000 0.432 426 R N 0.301 120.807 120.500 0.011 0.000 2.073 426 R HA -0.158 4.180 4.340 -0.003 0.000 0.234 426 R C 2.493 178.840 176.300 0.079 0.000 1.134 426 R CA 1.462 57.590 56.100 0.046 0.000 0.952 426 R CB -0.078 30.242 30.300 0.033 0.000 0.850 426 R HN 0.315 nan 8.270 nan 0.000 0.433 427 R N -0.353 120.174 120.500 0.045 0.000 2.092 427 R HA -0.060 4.279 4.340 -0.003 0.000 0.231 427 R C 2.184 178.564 176.300 0.132 0.000 1.119 427 R CA 1.666 57.817 56.100 0.085 0.000 0.970 427 R CB -0.118 30.191 30.300 0.014 0.000 0.864 427 R HN 0.317 nan 8.270 nan 0.000 0.440 428 M N 0.100 119.691 119.600 -0.014 0.000 2.541 428 M HA 0.043 4.521 4.480 -0.003 0.000 0.252 428 M C 0.870 177.327 176.300 0.263 0.000 1.125 428 M CA 0.018 55.238 55.300 -0.133 0.000 1.091 428 M CB 0.412 32.762 32.600 -0.416 0.000 1.420 428 M HN -0.078 nan 8.290 nan 0.000 0.486 429 S N 0.893 116.762 115.700 0.281 0.000 2.558 429 S HA 0.016 4.484 4.470 -0.003 0.000 0.288 429 S C 1.003 175.867 174.600 0.440 0.000 1.318 429 S CA -0.387 58.007 58.200 0.323 0.000 1.056 429 S CB 0.601 63.930 63.200 0.215 0.000 0.853 429 S HN 0.222 nan 8.310 nan 0.000 0.505 430 L N 5.334 126.763 121.223 0.343 0.000 2.291 430 L HA 0.121 4.459 4.340 -0.003 0.000 0.214 430 L C 0.521 177.493 176.870 0.170 0.000 1.120 430 L CA 0.868 55.860 54.840 0.254 0.000 0.799 430 L CB -0.498 41.652 42.059 0.152 0.000 0.925 430 L HN 0.484 nan 8.230 nan 0.000 0.446 431 V N 0.397 120.427 119.914 0.193 0.000 2.364 431 V HA 0.161 4.279 4.120 -0.003 0.000 0.272 431 V C 0.346 176.524 176.094 0.139 0.000 1.036 431 V CA -0.833 61.568 62.300 0.168 0.000 0.880 431 V CB 1.102 33.059 31.823 0.224 0.000 0.991 431 V HN 0.189 nan 8.190 nan 0.000 0.460 432 E N 4.862 125.121 120.200 0.098 0.000 2.167 432 E HA 0.251 4.599 4.350 -0.003 0.000 0.284 432 E C -0.340 176.308 176.600 0.080 0.000 1.016 432 E CA -0.640 55.806 56.400 0.077 0.000 0.817 432 E CB 0.787 30.506 29.700 0.033 0.000 1.080 432 E HN 0.638 nan 8.360 nan 0.000 0.397 433 E N 2.389 122.635 120.200 0.076 0.000 2.345 433 E HA 0.547 4.895 4.350 -0.003 0.000 0.259 433 E C 0.369 177.003 176.600 0.057 0.000 1.117 433 E CA -0.138 56.302 56.400 0.067 0.000 0.913 433 E CB 1.571 31.306 29.700 0.057 0.000 1.057 433 E HN 0.814 nan 8.360 nan 0.000 0.432 434 G N -0.745 108.088 108.800 0.054 0.000 2.350 434 G HA2 0.196 4.155 3.960 -0.003 0.000 0.282 434 G HA3 0.196 4.155 3.960 -0.003 0.000 0.282 434 G C 0.342 175.271 174.900 0.049 0.000 1.314 434 G CA 0.064 45.192 45.100 0.048 0.000 0.915 434 G HN 0.436 nan 8.290 nan 0.000 0.499 435 A N -1.105 121.742 122.820 0.045 0.000 1.883 435 A HA 0.332 4.650 4.320 -0.003 0.000 0.217 435 A C 1.256 178.875 177.584 0.058 0.000 1.186 435 A CA 2.502 54.566 52.037 0.044 0.000 0.624 435 A CB -0.552 18.470 19.000 0.037 0.000 0.822 435 A HN 1.557 nan 8.150 nan 0.000 0.444 436 V N 0.637 120.594 119.914 0.072 0.000 2.357 436 V HA 0.263 4.382 4.120 -0.003 0.000 0.284 436 V C 0.021 176.179 176.094 0.107 0.000 1.018 436 V CA -0.762 61.601 62.300 0.105 0.000 0.841 436 V CB 1.225 33.123 31.823 0.125 0.000 0.991 436 V HN 0.448 nan 8.190 nan 0.000 0.437 437 K N 5.105 125.578 120.400 0.121 0.000 2.368 437 K HA 0.437 4.755 4.320 -0.003 0.000 0.282 437 K C -0.117 176.558 176.600 0.125 0.000 1.035 437 K CA -0.060 56.299 56.287 0.119 0.000 0.973 437 K CB 0.511 33.089 32.500 0.131 0.000 0.957 437 K HN 0.643 nan 8.250 nan 0.000 0.474 438 R N 3.407 123.967 120.500 0.099 0.000 2.837 438 R HA 0.452 4.791 4.340 -0.003 0.000 0.271 438 R C -0.784 175.551 176.300 0.059 0.000 0.993 438 R CA -1.067 55.081 56.100 0.080 0.000 0.931 438 R CB 1.278 31.607 30.300 0.048 0.000 1.206 438 R HN 0.441 nan 8.270 nan 0.000 0.474 439 I N 2.084 122.683 120.570 0.049 0.000 2.315 439 I HA 0.130 4.299 4.170 -0.003 0.000 0.291 439 I C -0.017 176.077 176.117 -0.039 0.000 1.006 439 I CA -0.672 60.639 61.300 0.018 0.000 1.265 439 I CB 0.948 38.952 38.000 0.006 0.000 1.387 439 I HN 0.487 nan 8.210 nan 0.000 0.475 440 N N 7.109 125.755 118.700 -0.090 0.000 2.402 440 N HA 0.091 4.830 4.740 -0.003 0.000 0.252 440 N C 0.799 176.207 175.510 -0.170 0.000 1.118 440 N CA -0.292 52.624 53.050 -0.224 0.000 0.945 440 N CB 0.978 39.166 38.487 -0.499 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.460 121.955 119.600 -0.175 0.000 2.254 441 M HA -0.038 4.440 4.480 -0.003 0.000 0.265 441 M C 1.925 178.069 176.300 -0.259 0.000 1.066 441 M CA 0.698 55.912 55.300 -0.144 0.000 1.123 441 M CB -1.554 31.000 32.600 -0.075 0.000 1.388 441 M HN 0.607 nan 8.290 nan 0.000 0.425 442 A N -0.328 122.334 122.820 -0.264 0.000 1.902 442 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 442 A C 2.007 179.352 177.584 -0.399 0.000 1.181 442 A CA 1.507 53.330 52.037 -0.356 0.000 0.623 442 A CB -1.150 17.862 19.000 0.020 0.000 0.818 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.436 117.408 119.070 -0.375 0.000 2.353 443 H HA -0.128 4.426 4.556 -0.003 0.000 0.300 443 H C 2.130 177.230 175.328 -0.380 0.000 1.090 443 H CA 1.184 56.985 56.048 -0.410 0.000 1.327 443 H CB -0.081 29.665 29.762 -0.026 0.000 1.383 443 H HN 0.435 nan 8.280 nan 0.000 0.508 444 L N 0.804 121.946 121.223 -0.135 0.000 2.012 444 L HA -0.198 4.140 4.340 -0.003 0.000 0.210 444 L C 2.365 179.102 176.870 -0.222 0.000 1.073 444 L CA 1.536 56.292 54.840 -0.140 0.000 0.748 444 L CB -0.852 41.154 42.059 -0.089 0.000 0.891 444 L HN 0.298 nan 8.230 nan 0.000 0.431 445 C N -0.383 118.685 119.300 -0.388 0.000 2.432 445 C HA -0.140 4.319 4.460 -0.003 0.000 0.277 445 C C 2.700 177.449 174.990 -0.402 0.000 1.249 445 C CA 1.056 59.777 59.018 -0.494 0.000 1.725 445 C CB -0.964 26.113 27.740 -1.105 0.000 2.028 445 C HN 0.629 nan 8.230 nan 0.000 0.477 446 I N 1.482 121.748 120.570 -0.505 0.000 2.179 446 I HA -0.201 3.968 4.170 -0.003 0.000 0.242 446 I C 2.769 178.718 176.117 -0.279 0.000 1.088 446 I CA 1.661 62.695 61.300 -0.444 0.000 1.357 446 I CB -0.632 36.929 38.000 -0.731 0.000 1.051 446 I HN 0.265 nan 8.210 nan 0.000 0.409 447 A N 0.656 123.261 122.820 -0.359 0.000 1.940 447 A HA -0.130 4.188 4.320 -0.003 0.000 0.219 447 A C 2.233 179.862 177.584 0.075 0.000 1.176 447 A CA 2.000 53.854 52.037 -0.305 0.000 0.631 447 A CB -1.202 17.415 19.000 -0.638 0.000 0.814 447 A HN 0.496 nan 8.150 nan 0.000 0.446 448 G N -1.401 107.391 108.800 -0.014 0.000 3.189 448 G HA2 0.414 4.372 3.960 -0.003 0.000 0.225 448 G HA3 0.414 4.372 3.960 -0.003 0.000 0.225 448 G C 0.112 174.859 174.900 -0.256 0.000 1.159 448 G CA 0.516 45.510 45.100 -0.177 0.000 0.763 448 G HN 0.350 nan 8.290 nan 0.000 0.549 449 S N -0.237 115.362 115.700 -0.168 0.000 2.513 449 S HA 0.319 4.788 4.470 -0.003 0.000 0.299 449 S C 0.770 175.315 174.600 -0.092 0.000 1.087 449 S CA -0.707 57.414 58.200 -0.131 0.000 1.012 449 S CB 1.295 64.416 63.200 -0.130 0.000 1.044 449 S HN 0.497 nan 8.310 nan 0.000 0.485 450 H N 0.131 119.164 119.070 -0.061 0.000 2.535 450 H HA 0.438 4.992 4.556 -0.003 0.000 0.273 450 H C 0.206 175.527 175.328 -0.012 0.000 0.983 450 H CA 0.359 56.401 56.048 -0.010 0.000 1.238 450 H CB 0.137 29.904 29.762 0.008 0.000 1.412 450 H HN 0.505 nan 8.280 nan 0.000 0.562 451 A N 1.130 123.627 122.820 -0.540 0.000 2.455 451 A HA 0.568 4.886 4.320 -0.003 0.000 0.300 451 A C -1.314 176.051 177.584 -0.364 0.000 1.040 451 A CA -0.591 51.195 52.037 -0.420 0.000 0.697 451 A CB 2.323 21.047 19.000 -0.460 0.000 1.265 451 A HN 0.100 nan 8.150 nan 0.000 0.407 452 V N 4.116 123.772 119.914 -0.430 0.000 2.531 452 V HA 0.521 4.639 4.120 -0.003 0.000 0.301 452 V C -0.800 175.080 176.094 -0.356 0.000 1.034 452 V CA -0.802 61.224 62.300 -0.457 0.000 0.865 452 V CB 1.822 33.189 31.823 -0.760 0.000 0.995 452 V HN 1.006 nan 8.190 nan 0.000 0.424 453 N N 3.192 121.709 118.700 -0.304 0.000 2.238 453 N HA 0.584 5.322 4.740 -0.003 0.000 0.302 453 N C -0.219 175.176 175.510 -0.191 0.000 1.072 453 N CA -0.351 52.570 53.050 -0.214 0.000 0.792 453 N CB 2.835 41.179 38.487 -0.238 0.000 1.425 453 N HN 0.641 nan 8.380 nan 0.000 0.478 454 G N -0.567 108.157 108.800 -0.126 0.000 2.557 454 G HA2 0.409 4.367 3.960 -0.003 0.000 0.292 454 G HA3 0.409 4.367 3.960 -0.003 0.000 0.292 454 G C 0.785 175.745 174.900 0.100 0.000 1.237 454 G CA -0.434 44.637 45.100 -0.048 0.000 0.978 454 G HN 0.659 nan 8.290 nan 0.000 0.498 455 V N -3.855 116.251 119.914 0.319 0.000 3.380 455 V HA 0.703 4.822 4.120 -0.003 0.000 0.307 455 V C 0.560 176.750 176.094 0.160 0.000 1.434 455 V CA 0.431 62.840 62.300 0.181 0.000 1.075 455 V CB -0.685 31.221 31.823 0.137 0.000 0.954 455 V HN 1.283 nan 8.190 nan 0.000 0.444 456 A N -0.031 122.890 122.820 0.168 0.000 2.612 456 A HA 0.679 4.997 4.320 -0.003 0.000 0.293 456 A C 0.665 178.302 177.584 0.089 0.000 1.075 456 A CA -0.137 51.972 52.037 0.120 0.000 0.680 456 A CB 1.324 20.383 19.000 0.098 0.000 1.279 456 A HN 0.049 nan 8.150 nan 0.000 0.411 457 R N 0.602 121.134 120.500 0.053 0.000 2.094 457 R HA -0.160 4.178 4.340 -0.003 0.000 0.239 457 R C 1.765 178.065 176.300 0.001 0.000 1.137 457 R CA 2.299 58.407 56.100 0.013 0.000 0.943 457 R CB -0.295 30.008 30.300 0.006 0.000 0.850 457 R HN 0.808 nan 8.270 nan 0.000 0.433 458 I N 0.209 120.789 120.570 0.016 0.000 2.208 458 I HA -0.321 3.848 4.170 -0.003 0.000 0.245 458 I C 2.332 178.462 176.117 0.022 0.000 1.097 458 I CA 2.016 63.319 61.300 0.005 0.000 1.363 458 I CB -0.228 37.774 38.000 0.003 0.000 1.051 458 I HN 0.365 nan 8.210 nan 0.000 0.413 459 H N 0.344 119.387 119.070 -0.044 0.000 2.326 459 H HA -0.118 4.436 4.556 -0.003 0.000 0.301 459 H C 2.285 177.581 175.328 -0.055 0.000 1.081 459 H CA 2.212 58.229 56.048 -0.052 0.000 1.334 459 H CB -0.346 29.393 29.762 -0.039 0.000 1.385 459 H HN 0.271 nan 8.280 nan 0.000 0.504 460 S N 0.501 116.081 115.700 -0.202 0.000 2.383 460 S HA -0.139 4.329 4.470 -0.003 0.000 0.229 460 S C 1.898 176.377 174.600 -0.201 0.000 1.030 460 S CA 1.268 59.331 58.200 -0.229 0.000 1.002 460 S CB -0.088 63.047 63.200 -0.108 0.000 0.829 460 S HN 0.485 nan 8.310 nan 0.000 0.467 461 E N 1.224 121.329 120.200 -0.158 0.000 2.047 461 E HA -0.009 4.339 4.350 -0.003 0.000 0.191 461 E C 2.045 178.530 176.600 -0.191 0.000 0.987 461 E CA 0.720 57.017 56.400 -0.172 0.000 0.799 461 E CB -0.418 29.213 29.700 -0.114 0.000 0.752 461 E HN 0.519 nan 8.360 nan 0.000 0.449 462 I N 1.042 121.517 120.570 -0.158 0.000 2.361 462 I HA -0.264 3.904 4.170 -0.003 0.000 0.251 462 I C 2.421 178.413 176.117 -0.208 0.000 1.133 462 I CA 0.727 61.938 61.300 -0.148 0.000 1.413 462 I CB -0.249 37.700 38.000 -0.084 0.000 1.073 462 I HN 0.047 nan 8.210 nan 0.000 0.424 463 L N 0.463 121.523 121.223 -0.272 0.000 2.017 463 L HA -0.227 4.111 4.340 -0.003 0.000 0.208 463 L C 2.500 179.237 176.870 -0.221 0.000 1.073 463 L CA 1.630 56.311 54.840 -0.264 0.000 0.745 463 L CB -0.562 41.413 42.059 -0.141 0.000 0.894 463 L HN 0.210 nan 8.230 nan 0.000 0.432 464 K N -0.228 119.970 120.400 -0.337 0.000 2.217 464 K HA -0.119 4.199 4.320 -0.003 0.000 0.202 464 K C 2.063 178.451 176.600 -0.353 0.000 1.051 464 K CA 0.859 56.795 56.287 -0.586 0.000 0.952 464 K CB 0.069 31.922 32.500 -1.078 0.000 0.736 464 K HN 0.272 nan 8.250 nan 0.000 0.453 465 K N -0.073 120.182 120.400 -0.242 0.000 2.166 465 K HA -0.043 4.275 4.320 -0.003 0.000 0.201 465 K C 2.057 178.604 176.600 -0.089 0.000 1.052 465 K CA 1.607 57.812 56.287 -0.137 0.000 0.969 465 K CB 0.361 32.789 32.500 -0.118 0.000 0.761 465 K HN 0.257 nan 8.250 nan 0.000 0.459 466 T N -1.634 112.856 114.554 -0.107 0.000 3.463 466 T HA 0.087 4.435 4.350 -0.003 0.000 0.203 466 T C 1.853 176.504 174.700 -0.081 0.000 0.955 466 T CA -0.204 61.848 62.100 -0.081 0.000 1.230 466 T CB -0.606 68.212 68.868 -0.084 0.000 1.392 466 T HN -0.120 nan 8.240 nan 0.000 0.361 467 I N 1.310 121.770 120.570 -0.184 0.000 2.151 467 I HA -0.004 4.165 4.170 -0.003 0.000 0.243 467 I C 1.539 177.571 176.117 -0.143 0.000 1.080 467 I CA 1.775 62.895 61.300 -0.300 0.000 1.339 467 I CB -0.569 37.029 38.000 -0.670 0.000 1.039 467 I HN 0.311 nan 8.210 nan 0.000 0.409 468 F N -0.034 119.973 119.950 0.095 0.000 2.791 468 F HA 0.254 4.780 4.527 -0.003 0.000 0.308 468 F C 1.884 177.726 175.800 0.070 0.000 1.138 468 F CA -0.496 57.623 58.000 0.197 0.000 1.294 468 F CB -0.024 39.108 39.000 0.221 0.000 0.975 468 F HN -0.104 nan 8.300 nan 0.000 0.512 469 K N 1.099 121.584 120.400 0.141 0.000 2.034 469 K HA -0.231 4.088 4.320 -0.003 0.000 0.214 469 K C 1.297 177.931 176.600 0.057 0.000 1.051 469 K CA 2.386 58.710 56.287 0.062 0.000 0.931 469 K CB -0.028 32.482 32.500 0.017 0.000 0.715 469 K HN 0.148 nan 8.250 nan 0.000 0.446 470 D N -0.149 120.255 120.400 0.006 0.000 2.117 470 D HA -0.158 4.480 4.640 -0.003 0.000 0.197 470 D C 1.821 178.022 176.300 -0.165 0.000 0.987 470 D CA 1.236 55.120 54.000 -0.193 0.000 0.829 470 D CB -0.327 40.265 40.800 -0.347 0.000 0.961 470 D HN 0.261 nan 8.370 nan 0.000 0.460 471 F N -0.196 119.809 119.950 0.092 0.000 2.186 471 F HA -0.131 4.395 4.527 -0.003 0.000 0.299 471 F C 2.325 178.243 175.800 0.198 0.000 1.090 471 F CA 0.486 58.626 58.000 0.233 0.000 1.307 471 F CB -0.668 38.555 39.000 0.373 0.000 1.019 471 F HN -0.038 nan 8.300 nan 0.000 0.489 472 Y N 1.386 121.593 120.300 -0.156 0.000 2.224 472 Y HA -0.199 4.349 4.550 -0.003 0.000 0.289 472 Y C 2.093 177.961 175.900 -0.053 0.000 1.146 472 Y CA 1.643 59.497 58.100 -0.410 0.000 1.182 472 Y CB -0.639 37.429 38.460 -0.654 0.000 0.983 472 Y HN 0.142 nan 8.280 nan 0.000 0.524 473 E N -0.327 119.785 120.200 -0.147 0.000 2.106 473 E HA -0.184 4.164 4.350 -0.003 0.000 0.192 473 E C 2.043 178.698 176.600 0.091 0.000 0.984 473 E CA 1.156 57.488 56.400 -0.114 0.000 0.806 473 E CB -0.293 29.382 29.700 -0.042 0.000 0.750 473 E HN 0.442 nan 8.360 nan 0.000 0.458 474 L N 1.011 122.334 121.223 0.168 0.000 2.056 474 L HA -0.091 4.248 4.340 -0.003 0.000 0.207 474 L C 0.245 177.208 176.870 0.156 0.000 1.078 474 L CA 1.736 56.730 54.840 0.256 0.000 0.749 474 L CB 0.328 42.527 42.059 0.234 0.000 0.901 474 L HN -0.088 nan 8.230 nan 0.000 0.433 475 E N -0.500 119.773 120.200 0.122 0.000 3.132 475 E HA 0.171 4.519 4.350 -0.003 0.000 0.241 475 E C -1.999 174.491 176.600 -0.184 0.000 1.196 475 E CA -1.217 55.139 56.400 -0.074 0.000 0.869 475 E CB 0.909 30.586 29.700 -0.038 0.000 1.387 475 E HN 0.182 nan 8.360 nan 0.000 0.393 476 P HA -0.244 nan 4.420 nan 0.000 0.217 476 P C 1.271 178.660 177.300 0.148 0.000 1.150 476 P CA 1.392 64.417 63.100 -0.125 0.000 0.832 476 P CB -0.051 31.475 31.700 -0.289 0.000 0.787 477 H N 0.542 119.724 119.070 0.187 0.000 2.457 477 H HA -0.065 4.489 4.556 -0.003 0.000 0.297 477 H C 1.854 177.281 175.328 0.165 0.000 1.092 477 H CA 1.268 57.412 56.048 0.160 0.000 1.309 477 H CB -0.738 29.088 29.762 0.108 0.000 1.382 477 H HN 0.161 nan 8.280 nan 0.000 0.535 478 K N 0.563 120.868 120.400 -0.159 0.000 2.148 478 K HA -0.034 4.284 4.320 -0.003 0.000 0.204 478 K C -0.127 176.371 176.600 -0.170 0.000 1.050 478 K CA 0.333 56.542 56.287 -0.129 0.000 0.942 478 K CB 0.025 32.355 32.500 -0.284 0.000 0.724 478 K HN 0.067 nan 8.250 nan 0.000 0.446 479 F N 1.863 121.839 119.950 0.043 0.000 2.424 479 F HA 0.221 4.746 4.527 -0.003 0.000 0.356 479 F C 0.290 176.087 175.800 -0.005 0.000 1.110 479 F CA -0.296 57.727 58.000 0.038 0.000 1.161 479 F CB 1.240 40.310 39.000 0.118 0.000 1.115 479 F HN -0.001 nan 8.300 nan 0.000 0.507 480 Q N 2.018 121.837 119.800 0.032 0.000 2.552 480 Q HA 0.361 4.699 4.340 -0.003 0.000 0.289 480 Q C -1.078 174.879 176.000 -0.072 0.000 1.097 480 Q CA -1.250 54.529 55.803 -0.039 0.000 0.812 480 Q CB 3.027 31.688 28.738 -0.128 0.000 1.460 480 Q HN 0.604 nan 8.270 nan 0.000 0.452 481 N N 0.678 119.319 118.700 -0.098 0.000 2.321 481 N HA 0.243 4.981 4.740 -0.003 0.000 0.299 481 N C -1.382 174.030 175.510 -0.164 0.000 1.048 481 N CA -0.394 52.595 53.050 -0.102 0.000 0.836 481 N CB 0.996 39.446 38.487 -0.062 0.000 1.269 481 N HN 0.272 nan 8.380 nan 0.000 0.486 482 K N 2.806 123.112 120.400 -0.157 0.000 2.701 482 K HA 0.185 4.503 4.320 -0.003 0.000 0.212 482 K C -0.877 175.737 176.600 0.024 0.000 1.035 482 K CA -0.480 55.695 56.287 -0.186 0.000 1.048 482 K CB 1.138 33.311 32.500 -0.544 0.000 1.234 482 K HN 0.546 nan 8.250 nan 0.000 0.540 483 T N 2.055 116.638 114.554 0.047 0.000 2.908 483 T HA 0.025 4.373 4.350 -0.003 0.000 0.301 483 T C 0.793 175.623 174.700 0.216 0.000 1.019 483 T CA 0.456 62.636 62.100 0.132 0.000 1.152 483 T CB 0.242 69.187 68.868 0.129 0.000 0.966 483 T HN 0.361 nan 8.240 nan 0.000 0.540 484 N N 0.553 119.404 118.700 0.252 0.000 2.297 484 N HA 0.416 5.154 4.740 -0.003 0.000 0.232 484 N C 0.479 176.181 175.510 0.319 0.000 1.311 484 N CA -0.215 53.015 53.050 0.300 0.000 0.897 484 N CB 0.404 39.012 38.487 0.202 0.000 1.137 484 N HN 0.753 nan 8.380 nan 0.000 0.449 485 G N -0.630 108.366 108.800 0.327 0.000 2.682 485 G HA2 0.628 4.586 3.960 -0.003 0.000 0.290 485 G HA3 0.628 4.586 3.960 -0.003 0.000 0.290 485 G C -1.388 173.652 174.900 0.234 0.000 1.425 485 G CA -0.729 44.549 45.100 0.297 0.000 0.807 485 G HN 0.599 nan 8.290 nan 0.000 0.482 486 I N -2.359 118.335 120.570 0.207 0.000 2.828 486 I HA 0.729 4.897 4.170 -0.003 0.000 0.302 486 I C -0.198 176.089 176.117 0.284 0.000 1.101 486 I CA -0.947 60.472 61.300 0.200 0.000 1.031 486 I CB 2.460 40.456 38.000 -0.007 0.000 1.231 486 I HN 0.471 nan 8.210 nan 0.000 0.427 487 T N 4.488 119.268 114.554 0.377 0.000 2.814 487 T HA 0.344 4.693 4.350 -0.003 0.000 0.297 487 T C -1.426 173.402 174.700 0.213 0.000 0.956 487 T CA -1.540 60.700 62.100 0.232 0.000 1.123 487 T CB 0.731 69.676 68.868 0.128 0.000 0.902 487 T HN 0.638 nan 8.240 nan 0.000 0.528 488 P HA 0.061 nan 4.420 nan 0.000 0.237 488 P C 1.026 178.305 177.300 -0.036 0.000 1.178 488 P CA 0.258 63.407 63.100 0.082 0.000 0.766 488 P CB 0.385 32.121 31.700 0.060 0.000 0.876 489 R N 0.631 121.065 120.500 -0.111 0.000 2.089 489 R HA 0.015 4.354 4.340 -0.003 0.000 0.222 489 R C 2.667 178.858 176.300 -0.181 0.000 1.151 489 R CA 1.533 57.525 56.100 -0.181 0.000 0.908 489 R CB -1.409 28.791 30.300 -0.166 0.000 0.813 489 R HN 0.002 nan 8.270 nan 0.000 0.440 490 R N -0.673 119.660 120.500 -0.278 0.000 2.103 490 R HA -0.163 4.175 4.340 -0.003 0.000 0.242 490 R C 1.287 177.257 176.300 -0.549 0.000 1.142 490 R CA 1.973 57.750 56.100 -0.539 0.000 0.960 490 R CB -0.240 29.535 30.300 -0.876 0.000 0.858 490 R HN 0.341 nan 8.270 nan 0.000 0.439 491 W N -0.723 120.539 121.300 -0.063 0.000 3.353 491 W HA 0.155 4.813 4.660 -0.004 0.000 0.304 491 W C 1.057 177.551 176.519 -0.041 0.000 1.273 491 W CA -0.754 56.554 57.345 -0.062 0.000 1.773 491 W CB 0.442 29.871 29.460 -0.051 0.000 1.095 491 W HN 0.223 nan 8.180 nan 0.000 0.676 492 L N -2.202 119.088 121.223 0.112 0.000 2.692 492 L HA 0.205 4.543 4.340 -0.003 0.000 0.175 492 L C 1.753 178.646 176.870 0.037 0.000 1.112 492 L CA 0.805 55.702 54.840 0.094 0.000 0.908 492 L CB -0.850 41.291 42.059 0.137 0.000 1.672 492 L HN -0.255 nan 8.230 nan 0.000 0.500 493 V N 1.091 121.004 119.914 -0.002 0.000 2.343 493 V HA -0.255 3.863 4.120 -0.003 0.000 0.247 493 V C 2.430 178.504 176.094 -0.035 0.000 1.051 493 V CA 2.419 64.708 62.300 -0.019 0.000 1.036 493 V CB -0.570 31.206 31.823 -0.078 0.000 0.654 493 V HN 0.502 nan 8.190 nan 0.000 0.451 494 L N 0.405 121.580 121.223 -0.081 0.000 2.034 494 L HA -0.158 4.180 4.340 -0.003 0.000 0.203 494 L C 2.580 179.393 176.870 -0.095 0.000 1.074 494 L CA 2.291 57.066 54.840 -0.108 0.000 0.748 494 L CB -0.292 41.652 42.059 -0.191 0.000 0.905 494 L HN 0.614 nan 8.230 nan 0.000 0.439 495 C N -1.371 117.866 119.300 -0.105 0.000 2.468 495 C HA 0.134 4.593 4.460 -0.003 0.000 0.277 495 C C 1.278 176.257 174.990 -0.018 0.000 1.400 495 C CA -0.064 58.911 59.018 -0.071 0.000 1.770 495 C CB -1.120 26.584 27.740 -0.060 0.000 1.905 495 C HN 0.627 nan 8.230 nan 0.000 0.519 496 N N 1.049 119.749 118.700 0.000 0.000 2.703 496 N HA 0.283 5.022 4.740 -0.003 0.000 0.283 496 N C -1.749 173.775 175.510 0.023 0.000 1.851 496 N CA -1.657 51.403 53.050 0.016 0.000 0.826 496 N CB 0.633 39.139 38.487 0.030 0.000 1.239 496 N HN 0.250 nan 8.380 nan 0.000 0.495 497 P HA -0.032 nan 4.420 nan 0.000 0.218 497 P C 1.406 178.722 177.300 0.028 0.000 1.149 497 P CA 0.863 63.976 63.100 0.022 0.000 0.817 497 P CB 0.217 31.923 31.700 0.010 0.000 0.785 498 G N 0.664 109.474 108.800 0.016 0.000 2.440 498 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.218 498 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.218 498 G C 1.516 176.420 174.900 0.006 0.000 1.154 498 G CA 0.676 45.780 45.100 0.007 0.000 0.767 498 G HN 0.251 nan 8.290 nan 0.000 0.552 499 L N 1.220 122.449 121.223 0.010 0.000 2.072 499 L HA 0.293 4.631 4.340 -0.003 0.000 0.205 499 L C 3.071 179.969 176.870 0.047 0.000 1.079 499 L CA 1.963 56.808 54.840 0.007 0.000 0.752 499 L CB -0.763 41.301 42.059 0.008 0.000 0.906 499 L HN 0.224 nan 8.230 nan 0.000 0.436 500 A N -0.730 122.142 122.820 0.086 0.000 1.948 500 A HA -0.274 4.044 4.320 -0.003 0.000 0.220 500 A C 2.244 179.931 177.584 0.172 0.000 1.177 500 A CA 1.936 54.079 52.037 0.176 0.000 0.636 500 A CB -0.671 18.426 19.000 0.162 0.000 0.815 500 A HN 0.551 nan 8.150 nan 0.000 0.449 501 E N 0.499 120.758 120.200 0.099 0.000 2.046 501 E HA -0.142 4.206 4.350 -0.003 0.000 0.190 501 E C 1.848 178.491 176.600 0.072 0.000 0.982 501 E CA 1.507 57.956 56.400 0.081 0.000 0.800 501 E CB -0.498 29.229 29.700 0.046 0.000 0.756 501 E HN 0.742 nan 8.360 nan 0.000 0.449 502 I N -1.629 118.974 120.570 0.056 0.000 2.361 502 I HA -0.146 4.022 4.170 -0.003 0.000 0.251 502 I C 2.130 178.338 176.117 0.152 0.000 1.133 502 I CA 1.113 62.460 61.300 0.077 0.000 1.413 502 I CB -0.349 37.658 38.000 0.012 0.000 1.073 502 I HN 0.019 nan 8.210 nan 0.000 0.424 503 I N 1.949 122.581 120.570 0.104 0.000 2.202 503 I HA -0.207 3.961 4.170 -0.003 0.000 0.242 503 I C 3.007 179.098 176.117 -0.043 0.000 1.091 503 I CA 1.408 62.696 61.300 -0.021 0.000 1.368 503 I CB -0.519 37.330 38.000 -0.252 0.000 1.058 503 I HN 0.311 nan 8.210 nan 0.000 0.410 504 A N 0.352 123.238 122.820 0.110 0.000 1.972 504 A HA -0.223 4.095 4.320 -0.003 0.000 0.219 504 A C 2.154 179.789 177.584 0.084 0.000 1.169 504 A CA 1.580 53.734 52.037 0.196 0.000 0.635 504 A CB -0.608 18.534 19.000 0.236 0.000 0.810 504 A HN 0.452 nan 8.150 nan 0.000 0.446 505 E N -0.831 119.396 120.200 0.045 0.000 2.160 505 E HA -0.202 4.146 4.350 -0.003 0.000 0.195 505 E C 2.124 178.703 176.600 -0.036 0.000 0.991 505 E CA 1.016 57.423 56.400 0.011 0.000 0.810 505 E CB -0.025 29.682 29.700 0.011 0.000 0.742 505 E HN 0.378 nan 8.360 nan 0.000 0.466 506 R N -0.024 120.414 120.500 -0.103 0.000 2.123 506 R HA 0.105 4.443 4.340 -0.003 0.000 0.209 506 R C 2.230 178.502 176.300 -0.047 0.000 1.078 506 R CA 0.778 56.762 56.100 -0.194 0.000 1.028 506 R CB -0.264 29.652 30.300 -0.640 0.000 0.939 506 R HN 0.319 nan 8.270 nan 0.000 0.463 507 I N -3.154 117.404 120.570 -0.020 0.000 4.081 507 I HA 0.462 4.630 4.170 -0.003 0.000 0.333 507 I C 0.473 176.657 176.117 0.111 0.000 1.413 507 I CA 0.068 61.397 61.300 0.048 0.000 1.110 507 I CB 0.690 38.705 38.000 0.025 0.000 1.082 507 I HN 0.158 nan 8.210 nan 0.000 0.402 508 G N 2.169 111.039 108.800 0.117 0.000 2.693 508 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.226 508 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.226 508 G C 0.048 175.085 174.900 0.229 0.000 1.354 508 G CA 0.371 45.552 45.100 0.136 0.000 0.873 508 G HN 0.495 nan 8.290 nan 0.000 0.562 509 E N -0.084 120.193 120.200 0.128 0.000 2.476 509 E HA 0.116 4.464 4.350 -0.003 0.000 0.199 509 E C 2.072 178.609 176.600 -0.106 0.000 1.021 509 E CA 0.365 56.772 56.400 0.013 0.000 0.907 509 E CB 0.242 29.951 29.700 0.014 0.000 0.974 509 E HN 0.634 nan 8.360 nan 0.000 0.489 510 E N 0.357 120.573 120.200 0.026 0.000 2.160 510 E HA -0.228 4.120 4.350 -0.003 0.000 0.195 510 E C 1.697 178.285 176.600 -0.020 0.000 0.991 510 E CA 1.228 57.638 56.400 0.017 0.000 0.810 510 E CB -0.228 29.509 29.700 0.061 0.000 0.742 510 E HN 0.500 nan 8.360 nan 0.000 0.466 511 Y N -0.242 120.068 120.300 0.018 0.000 2.384 511 Y HA -0.140 4.409 4.550 -0.002 0.000 0.289 511 Y C 1.779 177.662 175.900 -0.028 0.000 1.152 511 Y CA 0.708 58.810 58.100 0.004 0.000 1.258 511 Y CB -0.603 37.865 38.460 0.012 0.000 0.979 511 Y HN -0.050 nan 8.280 nan 0.000 0.549 512 I N 0.864 120.966 120.570 -0.781 0.000 2.454 512 I HA -0.211 3.958 4.170 -0.003 0.000 0.254 512 I C 1.431 177.299 176.117 -0.416 0.000 1.156 512 I CA 1.700 62.570 61.300 -0.717 0.000 1.433 512 I CB -0.351 37.112 38.000 -0.894 0.000 1.082 512 I HN 0.482 nan 8.210 nan 0.000 0.432 513 S N -1.951 113.620 115.700 -0.214 0.000 2.843 513 S HA 0.230 4.698 4.470 -0.003 0.000 0.249 513 S C -0.022 174.571 174.600 -0.013 0.000 1.047 513 S CA -0.569 57.583 58.200 -0.080 0.000 1.042 513 S CB 0.301 63.509 63.200 0.013 0.000 0.936 513 S HN 0.280 nan 8.310 nan 0.000 0.531 514 D N 0.652 121.053 120.400 0.001 0.000 3.285 514 D HA 0.193 4.831 4.640 -0.003 0.000 0.273 514 D C 0.399 176.747 176.300 0.081 0.000 1.295 514 D CA -0.343 53.680 54.000 0.038 0.000 0.762 514 D CB 0.185 41.010 40.800 0.042 0.000 1.379 514 D HN 0.159 nan 8.370 nan 0.000 0.612 515 L N 0.742 122.014 121.223 0.082 0.000 2.353 515 L HA 0.005 4.344 4.340 -0.003 0.000 0.220 515 L C 1.405 178.331 176.870 0.094 0.000 1.133 515 L CA 1.539 56.457 54.840 0.131 0.000 0.798 515 L CB -0.055 42.074 42.059 0.118 0.000 0.922 515 L HN 0.222 nan 8.230 nan 0.000 0.445 516 D N -0.788 119.642 120.400 0.051 0.000 2.263 516 D HA -0.202 4.436 4.640 -0.003 0.000 0.208 516 D C 1.881 178.203 176.300 0.036 0.000 0.971 516 D CA 0.739 54.753 54.000 0.024 0.000 0.867 516 D CB 0.064 40.864 40.800 -0.001 0.000 0.929 516 D HN 0.559 nan 8.370 nan 0.000 0.492 517 Q N 0.039 119.879 119.800 0.067 0.000 2.364 517 Q HA -0.049 4.289 4.340 -0.003 0.000 0.209 517 Q C 2.273 178.296 176.000 0.040 0.000 0.977 517 Q CA 0.261 56.105 55.803 0.069 0.000 0.885 517 Q CB 0.018 28.828 28.738 0.120 0.000 0.941 517 Q HN 0.395 nan 8.270 nan 0.000 0.464 518 L N 0.157 121.399 121.223 0.032 0.000 2.261 518 L HA -0.195 4.143 4.340 -0.003 0.000 0.216 518 L C 2.243 179.115 176.870 0.002 0.000 1.114 518 L CA 0.916 55.745 54.840 -0.018 0.000 0.777 518 L CB -0.366 41.695 42.059 0.003 0.000 0.910 518 L HN 0.211 nan 8.230 nan 0.000 0.440 519 R N 0.353 120.859 120.500 0.010 0.000 2.152 519 R HA -0.169 4.169 4.340 -0.003 0.000 0.232 519 R C 2.109 178.400 176.300 -0.014 0.000 1.117 519 R CA 1.013 57.115 56.100 0.003 0.000 0.981 519 R CB -0.182 30.116 30.300 -0.003 0.000 0.870 519 R HN 0.402 nan 8.270 nan 0.000 0.451 520 K N 0.606 120.997 120.400 -0.015 0.000 2.211 520 K HA -0.117 4.201 4.320 -0.003 0.000 0.204 520 K C 1.833 178.413 176.600 -0.034 0.000 1.047 520 K CA 0.967 57.236 56.287 -0.031 0.000 0.935 520 K CB -0.109 32.392 32.500 0.002 0.000 0.728 520 K HN 0.207 nan 8.250 nan 0.000 0.452 521 L N 0.815 122.046 121.223 0.013 0.000 2.456 521 L HA -0.115 4.223 4.340 -0.003 0.000 0.224 521 L C 1.934 178.829 176.870 0.042 0.000 1.148 521 L CA 0.493 55.376 54.840 0.071 0.000 0.825 521 L CB -0.374 41.707 42.059 0.037 0.000 0.937 521 L HN 0.197 nan 8.230 nan 0.000 0.450 522 L N -0.824 120.387 121.223 -0.019 0.000 2.191 522 L HA -0.166 4.173 4.340 -0.003 0.000 0.212 522 L C 2.427 179.228 176.870 -0.115 0.000 1.103 522 L CA 0.760 55.581 54.840 -0.033 0.000 0.769 522 L CB -0.381 41.659 42.059 -0.031 0.000 0.908 522 L HN 0.210 nan 8.230 nan 0.000 0.438 523 S N -1.194 114.342 115.700 -0.272 0.000 2.547 523 S HA -0.109 4.360 4.470 -0.003 0.000 0.235 523 S C 0.902 175.158 174.600 -0.574 0.000 0.980 523 S CA 0.794 58.714 58.200 -0.466 0.000 0.941 523 S CB -0.198 62.600 63.200 -0.670 0.000 0.763 523 S HN 0.418 nan 8.310 nan 0.000 0.532 524 Y N -0.060 120.168 120.300 -0.120 0.000 2.584 524 Y HA 0.240 4.788 4.550 -0.004 0.000 0.254 524 Y C 1.794 177.724 175.900 0.050 0.000 1.177 524 Y CA -0.787 57.250 58.100 -0.105 0.000 1.216 524 Y CB -0.481 37.731 38.460 -0.413 0.000 1.172 524 Y HN 0.160 nan 8.280 nan 0.000 0.529 525 V N -2.575 117.414 119.914 0.124 0.000 2.720 525 V HA -0.176 3.943 4.120 -0.003 0.000 0.256 525 V C 0.809 176.966 176.094 0.105 0.000 1.082 525 V CA 2.115 64.487 62.300 0.120 0.000 1.101 525 V CB -0.040 31.817 31.823 0.056 0.000 0.693 525 V HN 0.238 nan 8.190 nan 0.000 0.479 526 D N -0.472 119.979 120.400 0.086 0.000 2.469 526 D HA 0.150 4.788 4.640 -0.003 0.000 0.215 526 D C 0.265 176.622 176.300 0.094 0.000 1.154 526 D CA 0.049 54.091 54.000 0.069 0.000 0.832 526 D CB 0.214 41.033 40.800 0.033 0.000 1.008 526 D HN 0.542 nan 8.370 nan 0.000 0.506 527 D N 1.901 122.396 120.400 0.157 0.000 2.325 527 D HA -0.016 4.622 4.640 -0.003 0.000 0.251 527 D C 1.105 177.505 176.300 0.167 0.000 1.196 527 D CA 0.016 54.129 54.000 0.189 0.000 0.866 527 D CB 1.331 42.326 40.800 0.324 0.000 1.101 527 D HN -0.111 nan 8.370 nan 0.000 0.476 528 E N 3.005 123.271 120.200 0.109 0.000 2.110 528 E HA -0.170 4.179 4.350 -0.003 0.000 0.193 528 E C 1.718 178.363 176.600 0.076 0.000 0.988 528 E CA 0.805 57.251 56.400 0.077 0.000 0.804 528 E CB -0.159 29.571 29.700 0.051 0.000 0.745 528 E HN 0.636 nan 8.360 nan 0.000 0.458 529 A N 0.630 123.505 122.820 0.092 0.000 1.873 529 A HA -0.135 4.183 4.320 -0.003 0.000 0.215 529 A C 2.123 179.765 177.584 0.096 0.000 1.186 529 A CA 1.047 53.130 52.037 0.076 0.000 0.616 529 A CB -0.855 18.188 19.000 0.071 0.000 0.823 529 A HN 0.258 nan 8.150 nan 0.000 0.442 530 F N 0.361 120.292 119.950 -0.032 0.000 2.113 530 F HA -0.132 4.395 4.527 -0.001 0.000 0.297 530 F C 2.066 177.854 175.800 -0.021 0.000 1.103 530 F CA 1.595 59.560 58.000 -0.060 0.000 1.248 530 F CB -0.118 38.829 39.000 -0.087 0.000 0.999 530 F HN 0.154 nan 8.300 nan 0.000 0.475 531 I N 0.225 120.833 120.570 0.063 0.000 2.151 531 I HA -0.382 3.786 4.170 -0.003 0.000 0.243 531 I C 2.664 178.733 176.117 -0.080 0.000 1.080 531 I CA 1.691 62.979 61.300 -0.020 0.000 1.339 531 I CB -0.578 37.447 38.000 0.043 0.000 1.039 531 I HN 0.136 nan 8.210 nan 0.000 0.409 532 R N 0.927 121.397 120.500 -0.050 0.000 2.073 532 R HA -0.208 4.131 4.340 -0.003 0.000 0.234 532 R C 1.804 178.043 176.300 -0.101 0.000 1.134 532 R CA 2.210 58.276 56.100 -0.057 0.000 0.952 532 R CB -0.230 30.053 30.300 -0.027 0.000 0.850 532 R HN 0.308 nan 8.270 nan 0.000 0.433 533 D N -0.028 120.284 120.400 -0.146 0.000 2.149 533 D HA -0.093 4.545 4.640 -0.003 0.000 0.201 533 D C 2.024 178.170 176.300 -0.255 0.000 0.972 533 D CA 0.967 54.860 54.000 -0.179 0.000 0.835 533 D CB -0.143 40.556 40.800 -0.167 0.000 0.966 533 D HN 0.087 nan 8.370 nan 0.000 0.476 534 V N 1.583 121.251 119.914 -0.409 0.000 2.287 534 V HA -0.263 3.855 4.120 -0.003 0.000 0.248 534 V C 2.546 178.538 176.094 -0.171 0.000 1.053 534 V CA 1.980 64.062 62.300 -0.363 0.000 1.027 534 V CB -0.830 30.721 31.823 -0.452 0.000 0.646 534 V HN 0.191 nan 8.190 nan 0.000 0.447 535 A N -0.345 122.398 122.820 -0.128 0.000 1.898 535 A HA -0.253 4.065 4.320 -0.003 0.000 0.216 535 A C 2.344 179.884 177.584 -0.074 0.000 1.181 535 A CA 2.119 54.113 52.037 -0.072 0.000 0.620 535 A CB -0.492 18.472 19.000 -0.061 0.000 0.819 535 A HN 0.549 nan 8.150 nan 0.000 0.442 536 K N -0.199 120.151 120.400 -0.082 0.000 2.032 536 K HA -0.117 4.202 4.320 -0.003 0.000 0.209 536 K C 1.812 178.377 176.600 -0.058 0.000 1.048 536 K CA 1.765 58.013 56.287 -0.065 0.000 0.927 536 K CB -0.319 32.144 32.500 -0.062 0.000 0.712 536 K HN 0.206 nan 8.250 nan 0.000 0.441 537 V N 1.686 121.558 119.914 -0.071 0.000 2.295 537 V HA -0.248 3.870 4.120 -0.003 0.000 0.246 537 V C 2.413 178.486 176.094 -0.036 0.000 1.049 537 V CA 2.083 64.352 62.300 -0.052 0.000 1.024 537 V CB -0.521 31.262 31.823 -0.066 0.000 0.648 537 V HN 0.381 nan 8.190 nan 0.000 0.447 538 K N 0.515 120.891 120.400 -0.040 0.000 2.032 538 K HA -0.249 4.069 4.320 -0.003 0.000 0.209 538 K C 2.169 178.739 176.600 -0.050 0.000 1.048 538 K CA 1.956 58.227 56.287 -0.026 0.000 0.927 538 K CB -0.559 31.940 32.500 -0.002 0.000 0.712 538 K HN 0.402 nan 8.250 nan 0.000 0.441 539 Q N 0.998 120.760 119.800 -0.062 0.000 2.084 539 Q HA -0.123 4.215 4.340 -0.003 0.000 0.202 539 Q C 1.711 177.688 176.000 -0.039 0.000 0.978 539 Q CA 2.061 57.819 55.803 -0.075 0.000 0.844 539 Q CB -0.149 28.549 28.738 -0.067 0.000 0.898 539 Q HN 0.524 nan 8.270 nan 0.000 0.426 540 E N -0.408 119.780 120.200 -0.019 0.000 2.085 540 E HA -0.193 4.155 4.350 -0.003 0.000 0.194 540 E C 1.726 178.346 176.600 0.033 0.000 0.994 540 E CA 1.185 57.589 56.400 0.006 0.000 0.801 540 E CB -0.110 29.590 29.700 0.001 0.000 0.743 540 E HN 0.429 nan 8.360 nan 0.000 0.453 541 N N 0.815 119.533 118.700 0.030 0.000 2.188 541 N HA -0.120 4.619 4.740 -0.003 0.000 0.184 541 N C 1.472 177.061 175.510 0.131 0.000 1.018 541 N CA 0.993 54.084 53.050 0.068 0.000 0.858 541 N CB -0.096 38.417 38.487 0.043 0.000 0.989 541 N HN 0.131 nan 8.380 nan 0.000 0.426 542 K N 0.617 121.057 120.400 0.066 0.000 2.057 542 K HA 0.050 4.368 4.320 -0.003 0.000 0.206 542 K C 2.060 178.789 176.600 0.215 0.000 1.050 542 K CA 0.613 56.959 56.287 0.097 0.000 0.935 542 K CB -0.122 32.169 32.500 -0.349 0.000 0.715 542 K HN 0.113 nan 8.250 nan 0.000 0.439 543 L N 1.081 122.370 121.223 0.109 0.000 2.046 543 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 543 L C 2.612 179.570 176.870 0.146 0.000 1.077 543 L CA 1.287 56.195 54.840 0.114 0.000 0.747 543 L CB -0.361 41.735 42.059 0.062 0.000 0.896 543 L HN 0.184 nan 8.230 nan 0.000 0.432 544 K N -0.133 120.360 120.400 0.154 0.000 2.057 544 K HA -0.226 4.093 4.320 -0.003 0.000 0.207 544 K C 2.191 178.933 176.600 0.237 0.000 1.049 544 K CA 1.502 57.886 56.287 0.163 0.000 0.931 544 K CB -0.140 32.442 32.500 0.136 0.000 0.714 544 K HN 0.064 nan 8.250 nan 0.000 0.440 545 F N 1.214 121.260 119.950 0.160 0.000 2.146 545 F HA -0.070 4.455 4.527 -0.003 0.000 0.298 545 F C 2.017 177.959 175.800 0.237 0.000 1.096 545 F CA 1.244 59.365 58.000 0.201 0.000 1.275 545 F CB -0.452 38.665 39.000 0.194 0.000 1.008 545 F HN 0.083 nan 8.300 nan 0.000 0.480 546 A N 0.388 123.345 122.820 0.227 0.000 1.908 546 A HA -0.147 4.171 4.320 -0.003 0.000 0.218 546 A C 2.422 180.006 177.584 -0.001 0.000 1.181 546 A CA 2.005 54.086 52.037 0.074 0.000 0.627 546 A CB -1.575 17.509 19.000 0.140 0.000 0.818 546 A HN 0.474 nan 8.150 nan 0.000 0.445 547 A N -1.475 121.378 122.820 0.055 0.000 1.933 547 A HA -0.092 4.226 4.320 -0.003 0.000 0.218 547 A C 2.124 179.717 177.584 0.015 0.000 1.175 547 A CA 1.632 53.694 52.037 0.041 0.000 0.628 547 A CB -0.822 18.219 19.000 0.068 0.000 0.814 547 A HN 0.840 nan 8.150 nan 0.000 0.444 548 Y N 0.506 120.740 120.300 -0.110 0.000 2.128 548 Y HA -0.192 4.356 4.550 -0.003 0.000 0.284 548 Y C 1.908 177.715 175.900 -0.156 0.000 1.154 548 Y CA 1.998 60.011 58.100 -0.143 0.000 1.149 548 Y CB -0.316 38.031 38.460 -0.188 0.000 0.976 548 Y HN 0.200 nan 8.280 nan 0.000 0.505 549 L N 0.193 121.188 121.223 -0.381 0.000 2.083 549 L HA -0.184 4.154 4.340 -0.003 0.000 0.209 549 L C 2.536 179.302 176.870 -0.173 0.000 1.083 549 L CA 1.775 56.416 54.840 -0.331 0.000 0.752 549 L CB -0.591 41.301 42.059 -0.277 0.000 0.899 549 L HN 0.281 nan 8.230 nan 0.000 0.433 550 E N 0.740 120.867 120.200 -0.123 0.000 2.072 550 E HA -0.248 4.101 4.350 -0.003 0.000 0.191 550 E C 2.234 178.779 176.600 -0.091 0.000 0.985 550 E CA 1.387 57.753 56.400 -0.057 0.000 0.801 550 E CB -0.104 29.594 29.700 -0.004 0.000 0.750 550 E HN 0.199 nan 8.360 nan 0.000 0.452 551 R N -0.195 120.227 120.500 -0.130 0.000 2.075 551 R HA -0.101 4.237 4.340 -0.003 0.000 0.232 551 R C 1.650 177.810 176.300 -0.234 0.000 1.126 551 R CA 1.648 57.664 56.100 -0.140 0.000 0.963 551 R CB -0.004 30.234 30.300 -0.104 0.000 0.858 551 R HN 0.112 nan 8.270 nan 0.000 0.435 552 E N -1.048 118.906 120.200 -0.410 0.000 2.276 552 E HA -0.055 4.293 4.350 -0.003 0.000 0.193 552 E C 0.513 176.629 176.600 -0.807 0.000 0.983 552 E CA 0.857 56.862 56.400 -0.658 0.000 0.861 552 E CB 0.399 29.512 29.700 -0.977 0.000 0.817 552 E HN 0.470 nan 8.360 nan 0.000 0.485 553 Y N -0.175 119.990 120.300 -0.225 0.000 2.666 553 Y HA 0.202 4.750 4.550 -0.003 0.000 0.260 553 Y C 0.131 175.979 175.900 -0.086 0.000 1.089 553 Y CA -0.666 57.352 58.100 -0.136 0.000 1.246 553 Y CB 0.762 39.136 38.460 -0.143 0.000 1.353 553 Y HN -0.252 nan 8.280 nan 0.000 0.558 554 K N 0.149 120.558 120.400 0.015 0.000 3.012 554 K HA -0.154 4.164 4.320 -0.003 0.000 0.259 554 K C -0.552 176.079 176.600 0.051 0.000 0.989 554 K CA 0.429 56.730 56.287 0.022 0.000 0.728 554 K CB -2.173 30.338 32.500 0.019 0.000 1.260 554 K HN 0.139 nan 8.250 nan 0.000 0.480 555 V N 1.742 121.685 119.914 0.048 0.000 2.407 555 V HA 0.148 4.266 4.120 -0.003 0.000 0.278 555 V C 0.687 176.803 176.094 0.037 0.000 1.037 555 V CA -0.712 61.609 62.300 0.035 0.000 0.900 555 V CB 1.517 33.336 31.823 -0.006 0.000 0.983 555 V HN 0.290 nan 8.190 nan 0.000 0.459 556 H N 6.540 125.595 119.070 -0.025 0.000 2.517 556 H HA 0.564 5.118 4.556 -0.003 0.000 0.317 556 H C -0.664 174.650 175.328 -0.022 0.000 1.080 556 H CA -0.505 55.533 56.048 -0.017 0.000 1.301 556 H CB 1.490 31.248 29.762 -0.008 0.000 1.425 556 H HN 0.712 nan 8.280 nan 0.000 0.471 557 I N 2.152 122.394 120.570 -0.546 0.000 2.569 557 I HA 0.316 4.484 4.170 -0.003 0.000 0.296 557 I C -0.104 175.756 176.117 -0.429 0.000 1.028 557 I CA -1.246 59.834 61.300 -0.367 0.000 1.082 557 I CB 1.785 39.640 38.000 -0.242 0.000 1.264 557 I HN 0.370 nan 8.210 nan 0.000 0.429 558 N N 7.106 125.730 118.700 -0.125 0.000 2.427 558 N HA 0.160 4.898 4.740 -0.003 0.000 0.269 558 N C -1.554 174.048 175.510 0.153 0.000 1.235 558 N CA -2.024 51.045 53.050 0.032 0.000 0.934 558 N CB 0.768 39.305 38.487 0.083 0.000 1.121 558 N HN 0.495 nan 8.380 nan 0.000 0.480 559 P HA -0.060 nan 4.420 nan 0.000 0.223 559 P C -0.456 176.856 177.300 0.021 0.000 1.151 559 P CA 1.051 64.217 63.100 0.111 0.000 0.787 559 P CB 0.207 31.946 31.700 0.065 0.000 0.788 560 N N 0.190 118.920 118.700 0.051 0.000 2.575 560 N HA 0.119 4.858 4.740 -0.003 0.000 0.275 560 N C -0.280 175.262 175.510 0.055 0.000 1.202 560 N CA -0.297 52.775 53.050 0.035 0.000 0.945 560 N CB 0.122 38.637 38.487 0.046 0.000 1.247 560 N HN 0.150 nan 8.380 nan 0.000 0.510 561 S N -0.720 115.015 115.700 0.058 0.000 2.570 561 S HA 0.390 4.858 4.470 -0.003 0.000 0.286 561 S C -0.481 174.090 174.600 -0.048 0.000 1.099 561 S CA -1.032 57.186 58.200 0.031 0.000 0.913 561 S CB 1.638 64.891 63.200 0.089 0.000 1.085 561 S HN 0.201 nan 8.310 nan 0.000 0.480 562 L N 2.629 123.659 121.223 -0.322 0.000 2.462 562 L HA 0.392 4.730 4.340 -0.003 0.000 0.272 562 L C -0.990 175.865 176.870 -0.026 0.000 1.166 562 L CA -0.514 53.971 54.840 -0.591 0.000 0.880 562 L CB -0.135 41.245 42.059 -1.131 0.000 1.142 562 L HN 0.739 nan 8.230 nan 0.000 0.473 563 F N 4.307 124.125 119.950 -0.220 0.000 2.405 563 F HA 0.114 4.640 4.527 -0.002 0.000 0.358 563 F C 0.381 176.108 175.800 -0.122 0.000 1.151 563 F CA -0.875 57.054 58.000 -0.119 0.000 1.161 563 F CB 0.585 39.558 39.000 -0.046 0.000 1.245 563 F HN 0.524 nan 8.300 nan 0.000 0.545 564 D N 4.792 125.191 120.400 -0.001 0.000 2.412 564 D HA 0.316 4.954 4.640 -0.003 0.000 0.224 564 D C -1.005 175.237 176.300 -0.098 0.000 1.093 564 D CA -0.188 53.768 54.000 -0.074 0.000 0.850 564 D CB 1.380 42.117 40.800 -0.105 0.000 1.046 564 D HN 0.117 nan 8.370 nan 0.000 0.507 565 V N 4.544 124.385 119.914 -0.122 0.000 2.444 565 V HA 0.356 4.474 4.120 -0.003 0.000 0.294 565 V C -0.152 175.803 176.094 -0.231 0.000 1.022 565 V CA -0.859 61.359 62.300 -0.137 0.000 0.850 565 V CB 1.623 33.449 31.823 0.005 0.000 0.992 565 V HN 0.509 nan 8.190 nan 0.000 0.426 566 Q N 3.900 123.577 119.800 -0.205 0.000 2.401 566 Q HA 0.636 4.974 4.340 -0.003 0.000 0.260 566 Q C -1.225 174.611 176.000 -0.274 0.000 1.034 566 Q CA -0.476 55.191 55.803 -0.226 0.000 0.737 566 Q CB 1.824 30.454 28.738 -0.180 0.000 1.227 566 Q HN 0.813 nan 8.270 nan 0.000 0.488 567 V N 1.688 121.429 119.914 -0.288 0.000 2.444 567 V HA 0.856 4.975 4.120 -0.003 0.000 0.294 567 V C -0.959 174.834 176.094 -0.502 0.000 1.022 567 V CA -0.580 61.345 62.300 -0.626 0.000 0.850 567 V CB 1.066 32.296 31.823 -0.988 0.000 0.992 567 V HN 0.816 nan 8.190 nan 0.000 0.426 568 K N 2.545 122.688 120.400 -0.429 0.000 2.960 568 K HA 0.424 4.742 4.320 -0.003 0.000 0.296 568 K C -1.197 175.406 176.600 0.007 0.000 1.092 568 K CA -1.188 55.053 56.287 -0.076 0.000 0.847 568 K CB 0.816 33.270 32.500 -0.077 0.000 1.458 568 K HN 0.424 nan 8.250 nan 0.000 0.359 569 R N 1.082 121.662 120.500 0.134 0.000 2.638 569 R HA 0.112 4.450 4.340 -0.003 0.000 0.268 569 R C 0.330 176.687 176.300 0.096 0.000 1.006 569 R CA -0.256 55.945 56.100 0.169 0.000 1.088 569 R CB -0.162 30.307 30.300 0.281 0.000 0.950 569 R HN 0.496 nan 8.270 nan 0.000 0.419 570 I N 5.140 125.719 120.570 0.016 0.000 2.421 570 I HA 0.077 4.245 4.170 -0.003 0.000 0.291 570 I C 0.821 176.772 176.117 -0.277 0.000 1.089 570 I CA 0.636 61.873 61.300 -0.106 0.000 1.354 570 I CB -0.527 37.407 38.000 -0.109 0.000 1.413 570 I HN 0.250 nan 8.210 nan 0.000 0.513 571 H N 4.397 123.335 119.070 -0.220 0.000 2.895 571 H HA 0.247 4.802 4.556 -0.003 0.000 0.373 571 H C 0.495 175.675 175.328 -0.247 0.000 1.174 571 H CA -0.517 55.427 56.048 -0.173 0.000 1.144 571 H CB 2.269 31.879 29.762 -0.253 0.000 1.793 571 H HN 0.494 nan 8.280 nan 0.000 0.551 572 E N 1.106 121.320 120.200 0.024 0.000 2.077 572 E HA -0.221 4.127 4.350 -0.003 0.000 0.193 572 E C 1.557 177.890 176.600 -0.446 0.000 0.989 572 E CA 1.610 57.966 56.400 -0.074 0.000 0.800 572 E CB -0.022 29.812 29.700 0.223 0.000 0.746 572 E HN 0.561 nan 8.360 nan 0.000 0.452 573 Y N 0.912 120.664 120.300 -0.912 0.000 2.333 573 Y HA -0.071 4.477 4.550 -0.003 0.000 0.290 573 Y C 1.535 177.177 175.900 -0.429 0.000 1.144 573 Y CA 0.984 58.412 58.100 -1.119 0.000 1.228 573 Y CB -0.140 37.719 38.460 -1.002 0.000 0.985 573 Y HN -0.200 nan 8.280 nan 0.000 0.542 574 K N 0.620 120.534 120.400 -0.810 0.000 2.432 574 K HA 0.078 4.397 4.320 -0.003 0.000 0.196 574 K C 0.136 176.555 176.600 -0.302 0.000 1.038 574 K CA 0.535 56.466 56.287 -0.593 0.000 0.986 574 K CB -0.017 32.119 32.500 -0.607 0.000 0.782 574 K HN 0.252 nan 8.250 nan 0.000 0.485 575 R N 0.411 120.765 120.500 -0.244 0.000 3.336 575 R HA -0.226 4.112 4.340 -0.003 0.000 0.260 575 R C 0.266 176.486 176.300 -0.133 0.000 1.032 575 R CA 0.204 56.217 56.100 -0.146 0.000 0.693 575 R CB -1.986 28.247 30.300 -0.112 0.000 1.134 575 R HN 0.293 nan 8.270 nan 0.000 0.433 576 Q N 0.376 120.096 119.800 -0.133 0.000 2.248 576 Q HA -0.083 4.256 4.340 -0.003 0.000 0.208 576 Q C 2.033 177.988 176.000 -0.075 0.000 0.984 576 Q CA 1.531 57.272 55.803 -0.103 0.000 0.875 576 Q CB -0.008 28.673 28.738 -0.095 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.643 120.539 121.223 -0.067 0.000 2.083 577 L HA -0.178 4.161 4.340 -0.003 0.000 0.209 577 L C 2.012 178.894 176.870 0.021 0.000 1.083 577 L CA 0.523 55.342 54.840 -0.035 0.000 0.752 577 L CB -0.331 41.719 42.059 -0.014 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N 0.009 121.237 121.223 0.009 0.000 2.046 578 L HA -0.235 4.103 4.340 -0.003 0.000 0.208 578 L C 2.023 178.967 176.870 0.123 0.000 1.077 578 L CA 1.874 56.736 54.840 0.038 0.000 0.747 578 L CB -0.840 41.135 42.059 -0.139 0.000 0.896 578 L HN 0.275 nan 8.230 nan 0.000 0.432 579 N N -1.619 117.114 118.700 0.056 0.000 2.069 579 N HA -0.245 4.494 4.740 -0.003 0.000 0.191 579 N C 1.948 177.541 175.510 0.138 0.000 1.031 579 N CA 1.694 54.849 53.050 0.175 0.000 0.852 579 N CB -0.129 38.388 38.487 0.050 0.000 1.018 579 N HN 0.498 nan 8.380 nan 0.000 0.423 580 C N 0.619 119.938 119.300 0.030 0.000 2.413 580 C HA -0.107 4.351 4.460 -0.003 0.000 0.276 580 C C 2.614 177.603 174.990 -0.002 0.000 1.236 580 C CA 0.452 59.440 59.018 -0.051 0.000 1.735 580 C CB -1.298 26.358 27.740 -0.140 0.000 2.031 580 C HN 0.500 nan 8.230 nan 0.000 0.474 581 L N -0.334 120.952 121.223 0.104 0.000 2.042 581 L HA -0.215 4.124 4.340 -0.003 0.000 0.210 581 L C 2.769 179.808 176.870 0.281 0.000 1.076 581 L CA 1.913 56.867 54.840 0.190 0.000 0.749 581 L CB -1.055 41.179 42.059 0.291 0.000 0.893 581 L HN 0.594 nan 8.230 nan 0.000 0.432 582 H N -0.131 119.058 119.070 0.198 0.000 2.357 582 H HA -0.118 4.436 4.556 -0.003 0.000 0.301 582 H C 2.246 177.567 175.328 -0.011 0.000 1.082 582 H CA 1.730 57.804 56.048 0.043 0.000 1.342 582 H CB 0.344 30.037 29.762 -0.115 0.000 1.389 582 H HN 0.097 nan 8.280 nan 0.000 0.511 583 V N 1.593 121.419 119.914 -0.146 0.000 2.287 583 V HA -0.282 3.836 4.120 -0.003 0.000 0.248 583 V C 2.811 178.842 176.094 -0.105 0.000 1.053 583 V CA 1.958 64.141 62.300 -0.194 0.000 1.027 583 V CB -0.518 31.236 31.823 -0.114 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.195 120.356 120.570 -0.032 0.000 2.286 584 I HA -0.216 3.953 4.170 -0.003 0.000 0.248 584 I C 2.487 178.686 176.117 0.136 0.000 1.115 584 I CA 1.679 63.047 61.300 0.114 0.000 1.392 584 I CB -0.715 37.346 38.000 0.101 0.000 1.065 584 I HN 0.321 nan 8.210 nan 0.000 0.418 585 T N 1.513 116.094 114.554 0.046 0.000 2.684 585 T HA -0.138 4.210 4.350 -0.003 0.000 0.267 585 T C 1.961 176.619 174.700 -0.071 0.000 1.036 585 T CA 1.311 63.424 62.100 0.023 0.000 1.148 585 T CB -0.344 68.556 68.868 0.053 0.000 0.863 585 T HN 0.253 nan 8.240 nan 0.000 0.436 586 L N -0.431 120.673 121.223 -0.197 0.000 2.017 586 L HA -0.116 4.223 4.340 -0.003 0.000 0.208 586 L C 2.381 179.216 176.870 -0.057 0.000 1.073 586 L CA 1.749 56.475 54.840 -0.190 0.000 0.745 586 L CB -0.683 41.197 42.059 -0.300 0.000 0.894 586 L HN 0.295 nan 8.230 nan 0.000 0.432 587 Y N 1.357 121.606 120.300 -0.086 0.000 2.097 587 Y HA -0.303 4.245 4.550 -0.003 0.000 0.282 587 Y C 2.555 178.454 175.900 -0.002 0.000 1.152 587 Y CA 1.906 60.000 58.100 -0.009 0.000 1.136 587 Y CB -0.105 38.405 38.460 0.083 0.000 0.975 587 Y HN 0.219 nan 8.280 nan 0.000 0.498 588 N N 0.387 119.048 118.700 -0.064 0.000 2.166 588 N HA -0.135 4.603 4.740 -0.003 0.000 0.186 588 N C 1.827 177.231 175.510 -0.176 0.000 1.019 588 N CA 1.508 54.459 53.050 -0.164 0.000 0.856 588 N CB -0.375 38.093 38.487 -0.032 0.000 0.993 588 N HN 0.439 nan 8.380 nan 0.000 0.426 589 R N 0.398 120.823 120.500 -0.126 0.000 2.092 589 R HA 0.078 4.417 4.340 -0.003 0.000 0.231 589 R C 2.218 178.436 176.300 -0.136 0.000 1.119 589 R CA 0.720 56.752 56.100 -0.114 0.000 0.970 589 R CB -0.245 29.999 30.300 -0.095 0.000 0.864 589 R HN 0.234 nan 8.270 nan 0.000 0.440 590 I N 0.960 121.430 120.570 -0.166 0.000 2.179 590 I HA -0.283 3.885 4.170 -0.003 0.000 0.242 590 I C 2.028 178.034 176.117 -0.186 0.000 1.088 590 I CA 1.209 62.411 61.300 -0.162 0.000 1.357 590 I CB -0.168 37.740 38.000 -0.152 0.000 1.051 590 I HN 0.021 nan 8.210 nan 0.000 0.409 591 K N 1.104 121.331 120.400 -0.289 0.000 2.147 591 K HA -0.154 4.164 4.320 -0.003 0.000 0.205 591 K C 1.978 178.478 176.600 -0.166 0.000 1.049 591 K CA 1.356 57.483 56.287 -0.267 0.000 0.936 591 K CB -0.340 31.919 32.500 -0.403 0.000 0.722 591 K HN 0.376 nan 8.250 nan 0.000 0.446 592 K N 0.603 120.913 120.400 -0.149 0.000 2.103 592 K HA -0.046 4.272 4.320 -0.003 0.000 0.204 592 K C 0.307 176.860 176.600 -0.078 0.000 1.052 592 K CA 0.887 57.112 56.287 -0.103 0.000 0.945 592 K CB 0.203 32.647 32.500 -0.093 0.000 0.722 592 K HN 0.149 nan 8.250 nan 0.000 0.443 593 E N 0.328 120.481 120.200 -0.079 0.000 3.374 593 E HA 0.088 4.436 4.350 -0.003 0.000 0.223 593 E C -2.195 174.372 176.600 -0.055 0.000 1.210 593 E CA -1.351 55.016 56.400 -0.056 0.000 0.987 593 E CB 1.339 31.012 29.700 -0.045 0.000 1.322 593 E HN 0.038 nan 8.360 nan 0.000 0.404 594 P HA -0.144 nan 4.420 nan 0.000 0.222 594 P C 0.581 177.869 177.300 -0.020 0.000 1.147 594 P CA 0.962 64.035 63.100 -0.045 0.000 0.790 594 P CB 0.408 32.084 31.700 -0.040 0.000 0.780 595 N N -0.192 118.502 118.700 -0.009 0.000 2.457 595 N HA -0.048 4.690 4.740 -0.003 0.000 0.180 595 N C 0.880 176.410 175.510 0.033 0.000 1.050 595 N CA 0.524 53.581 53.050 0.012 0.000 0.906 595 N CB -0.286 38.206 38.487 0.008 0.000 0.968 595 N HN 0.298 nan 8.380 nan 0.000 0.445 596 K N 0.949 121.360 120.400 0.018 0.000 2.349 596 K HA 0.032 4.350 4.320 -0.003 0.000 0.288 596 K C -0.595 176.041 176.600 0.059 0.000 1.058 596 K CA -0.434 55.876 56.287 0.039 0.000 0.953 596 K CB 0.256 32.757 32.500 0.003 0.000 0.997 596 K HN -0.143 nan 8.250 nan 0.000 0.477 597 F N 5.809 125.746 119.950 -0.021 0.000 2.538 597 F HA 0.161 4.686 4.527 -0.003 0.000 0.371 597 F C -0.465 175.321 175.800 -0.023 0.000 1.087 597 F CA -0.112 57.876 58.000 -0.019 0.000 1.250 597 F CB 0.559 39.551 39.000 -0.013 0.000 1.110 597 F HN 0.220 nan 8.300 nan 0.000 0.570 598 V N 4.363 123.699 119.914 -0.963 0.000 2.789 598 V HA 0.529 4.648 4.120 -0.003 0.000 0.311 598 V C -0.590 174.795 176.094 -1.182 0.000 1.073 598 V CA -1.275 60.527 62.300 -0.830 0.000 0.921 598 V CB 0.992 32.576 31.823 -0.399 0.000 1.009 598 V HN 0.613 nan 8.190 nan 0.000 0.426 599 V N 4.813 124.304 119.914 -0.705 0.000 2.509 599 V HA 0.138 4.256 4.120 -0.003 0.000 0.297 599 V C -1.824 174.070 176.094 -0.335 0.000 1.014 599 V CA -0.260 61.805 62.300 -0.392 0.000 1.127 599 V CB 0.138 31.853 31.823 -0.179 0.000 0.925 599 V HN 0.892 nan 8.190 nan 0.000 0.480 600 P HA 0.259 nan 4.420 nan 0.000 0.268 600 P C -0.345 176.849 177.300 -0.176 0.000 1.204 600 P CA 0.110 63.114 63.100 -0.161 0.000 0.768 600 P CB 0.483 32.149 31.700 -0.057 0.000 0.842 601 R N 1.286 121.697 120.500 -0.149 0.000 2.686 601 R HA 0.529 4.867 4.340 -0.003 0.000 0.286 601 R C -0.666 175.585 176.300 -0.082 0.000 0.969 601 R CA -0.638 55.377 56.100 -0.142 0.000 0.898 601 R CB 1.831 32.029 30.300 -0.170 0.000 1.183 601 R HN 0.295 nan 8.270 nan 0.000 0.456 602 T N 2.198 116.720 114.554 -0.054 0.000 2.801 602 T HA 0.212 4.560 4.350 -0.003 0.000 0.306 602 T C -0.128 174.482 174.700 -0.150 0.000 1.020 602 T CA -0.483 61.542 62.100 -0.125 0.000 0.948 602 T CB 0.980 69.698 68.868 -0.250 0.000 0.962 602 T HN 0.152 nan 8.240 nan 0.000 0.465 603 V N 6.111 125.947 119.914 -0.130 0.000 2.389 603 V HA 0.358 4.476 4.120 -0.003 0.000 0.264 603 V C 0.183 176.198 176.094 -0.132 0.000 1.049 603 V CA -0.330 61.898 62.300 -0.119 0.000 0.932 603 V CB 0.254 32.020 31.823 -0.094 0.000 1.011 603 V HN 0.850 nan 8.190 nan 0.000 0.475 604 M N 6.801 126.311 119.600 -0.150 0.000 2.227 604 M HA 0.624 5.102 4.480 -0.003 0.000 0.335 604 M C -0.946 175.241 176.300 -0.188 0.000 1.053 604 M CA -0.208 54.993 55.300 -0.165 0.000 0.973 604 M CB 1.908 34.404 32.600 -0.174 0.000 1.623 604 M HN 0.398 nan 8.290 nan 0.000 0.434 605 I N 1.735 122.170 120.570 -0.226 0.000 2.498 605 I HA 0.840 5.008 4.170 -0.003 0.000 0.290 605 I C 0.099 175.819 176.117 -0.661 0.000 1.032 605 I CA -0.626 60.495 61.300 -0.299 0.000 1.073 605 I CB 2.334 40.256 38.000 -0.131 0.000 1.251 605 I HN 0.818 nan 8.210 nan 0.000 0.426 606 G N 2.865 111.253 108.800 -0.687 0.000 2.690 606 G HA2 0.832 4.790 3.960 -0.003 0.000 0.293 606 G HA3 0.832 4.790 3.960 -0.003 0.000 0.293 606 G C -0.997 173.580 174.900 -0.538 0.000 1.399 606 G CA -0.759 43.801 45.100 -0.901 0.000 0.890 606 G HN 1.004 nan 8.290 nan 0.000 0.485 607 G N -0.331 108.328 108.800 -0.235 0.000 2.337 607 G HA2 0.391 4.349 3.960 -0.003 0.000 0.310 607 G HA3 0.391 4.349 3.960 -0.003 0.000 0.310 607 G C -1.293 173.748 174.900 0.234 0.000 1.534 607 G CA -1.062 44.081 45.100 0.072 0.000 0.982 607 G HN 0.607 nan 8.290 nan 0.000 0.672 608 K N 0.053 120.579 120.400 0.211 0.000 2.130 608 K HA 0.724 5.042 4.320 -0.003 0.000 0.268 608 K C 0.321 177.052 176.600 0.219 0.000 0.983 608 K CA -0.183 56.245 56.287 0.234 0.000 0.893 608 K CB 2.046 34.559 32.500 0.022 0.000 1.066 608 K HN 0.861 nan 8.250 nan 0.000 0.450 609 A N 1.688 124.663 122.820 0.259 0.000 2.301 609 A HA 0.592 4.910 4.320 -0.003 0.000 0.312 609 A C -0.271 177.458 177.584 0.242 0.000 1.182 609 A CA -0.681 51.424 52.037 0.114 0.000 0.826 609 A CB 0.814 19.804 19.000 -0.017 0.000 1.134 609 A HN 0.792 nan 8.150 nan 0.000 0.501 610 A N 3.924 126.861 122.820 0.195 0.000 2.520 610 A HA 0.457 4.776 4.320 -0.003 0.000 0.245 610 A C -1.329 176.302 177.584 0.077 0.000 1.072 610 A CA -0.806 51.353 52.037 0.203 0.000 0.761 610 A CB -0.357 18.756 19.000 0.188 0.000 1.004 610 A HN 0.613 nan 8.150 nan 0.000 0.499 611 P HA -0.170 nan 4.420 nan 0.000 0.217 611 P C 1.350 178.624 177.300 -0.043 0.000 1.151 611 P CA 2.093 65.105 63.100 -0.146 0.000 0.849 611 P CB 0.188 31.756 31.700 -0.219 0.000 0.787 612 G N -3.107 105.692 108.800 -0.001 0.000 3.141 612 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.218 612 G HA3 -0.092 3.866 3.960 -0.003 0.000 0.218 612 G C -0.171 174.753 174.900 0.039 0.000 1.170 612 G CA -0.124 44.981 45.100 0.009 0.000 0.769 612 G HN 0.314 nan 8.290 nan 0.000 0.546 613 Y N 1.583 121.822 120.300 -0.102 0.000 2.751 613 Y HA 0.201 4.749 4.550 -0.003 0.000 0.333 613 Y C 1.667 177.546 175.900 -0.035 0.000 1.122 613 Y CA -1.084 56.940 58.100 -0.128 0.000 1.367 613 Y CB 0.039 38.386 38.460 -0.188 0.000 1.242 613 Y HN 0.316 nan 8.280 nan 0.000 0.505 614 H N 3.661 122.845 119.070 0.189 0.000 2.289 614 H HA -0.247 4.307 4.556 -0.003 0.000 0.296 614 H C 1.831 177.211 175.328 0.086 0.000 1.091 614 H CA 2.441 58.553 56.048 0.107 0.000 1.274 614 H CB 0.352 30.164 29.762 0.082 0.000 1.364 614 H HN 0.715 nan 8.280 nan 0.000 0.490 615 M N 1.010 120.645 119.600 0.057 0.000 2.108 615 M HA -0.091 4.388 4.480 -0.003 0.000 0.261 615 M C 2.595 178.717 176.300 -0.298 0.000 1.066 615 M CA 1.927 57.178 55.300 -0.081 0.000 1.107 615 M CB -0.763 31.918 32.600 0.135 0.000 1.356 615 M HN 0.340 nan 8.290 nan 0.000 0.406 616 A N -0.333 122.107 122.820 -0.634 0.000 1.940 616 A HA -0.215 4.103 4.320 -0.003 0.000 0.219 616 A C 2.205 179.591 177.584 -0.330 0.000 1.176 616 A CA 2.019 53.645 52.037 -0.685 0.000 0.631 616 A CB -0.693 17.622 19.000 -1.141 0.000 0.814 616 A HN 0.602 nan 8.150 nan 0.000 0.446 617 K N -1.226 119.038 120.400 -0.227 0.000 2.097 617 K HA -0.062 4.256 4.320 -0.003 0.000 0.205 617 K C 1.990 178.548 176.600 -0.070 0.000 1.050 617 K CA 1.325 57.558 56.287 -0.090 0.000 0.938 617 K CB -0.221 32.280 32.500 0.003 0.000 0.718 617 K HN 0.343 nan 8.250 nan 0.000 0.442 618 M N 0.539 120.052 119.600 -0.145 0.000 2.175 618 M HA -0.088 4.391 4.480 -0.003 0.000 0.264 618 M C 2.127 178.358 176.300 -0.116 0.000 1.063 618 M CA 1.428 56.683 55.300 -0.075 0.000 1.119 618 M CB -0.659 31.884 32.600 -0.096 0.000 1.377 618 M HN 0.126 nan 8.290 nan 0.000 0.415 619 I N -0.116 120.348 120.570 -0.175 0.000 2.226 619 I HA -0.306 3.862 4.170 -0.003 0.000 0.245 619 I C 2.287 178.260 176.117 -0.239 0.000 1.100 619 I CA 1.074 62.254 61.300 -0.200 0.000 1.374 619 I CB -0.339 37.548 38.000 -0.187 0.000 1.057 619 I HN 0.177 nan 8.210 nan 0.000 0.413 620 I N 0.672 121.080 120.570 -0.270 0.000 2.163 620 I HA -0.310 3.858 4.170 -0.003 0.000 0.243 620 I C 2.588 178.396 176.117 -0.514 0.000 1.085 620 I CA 1.304 62.326 61.300 -0.463 0.000 1.347 620 I CB -0.359 37.326 38.000 -0.526 0.000 1.044 620 I HN 0.162 nan 8.210 nan 0.000 0.408 621 K N 1.310 121.434 120.400 -0.459 0.000 2.147 621 K HA -0.189 4.129 4.320 -0.003 0.000 0.205 621 K C 1.938 178.340 176.600 -0.331 0.000 1.049 621 K CA 1.357 57.288 56.287 -0.592 0.000 0.936 621 K CB -0.481 31.361 32.500 -1.097 0.000 0.722 621 K HN 0.129 nan 8.250 nan 0.000 0.446 622 L N 0.727 121.752 121.223 -0.330 0.000 2.017 622 L HA -0.030 4.308 4.340 -0.003 0.000 0.208 622 L C 1.929 178.530 176.870 -0.449 0.000 1.073 622 L CA 1.631 56.101 54.840 -0.617 0.000 0.745 622 L CB -0.488 41.114 42.059 -0.762 0.000 0.894 622 L HN 0.266 nan 8.230 nan 0.000 0.432 623 I N -0.507 119.866 120.570 -0.329 0.000 2.163 623 I HA -0.361 3.807 4.170 -0.003 0.000 0.243 623 I C 2.496 178.502 176.117 -0.184 0.000 1.085 623 I CA 1.989 63.162 61.300 -0.211 0.000 1.347 623 I CB -0.939 37.035 38.000 -0.043 0.000 1.044 623 I HN 0.503 nan 8.210 nan 0.000 0.408 624 T N -0.786 113.634 114.554 -0.223 0.000 2.777 624 T HA -0.094 4.255 4.350 -0.003 0.000 0.266 624 T C 2.006 176.628 174.700 -0.130 0.000 1.040 624 T CA 0.982 62.981 62.100 -0.168 0.000 1.141 624 T CB -0.561 68.167 68.868 -0.233 0.000 0.868 624 T HN 0.343 nan 8.240 nan 0.000 0.444 625 A N 1.594 124.326 122.820 -0.145 0.000 1.902 625 A HA 0.116 4.434 4.320 -0.003 0.000 0.217 625 A C 2.406 179.978 177.584 -0.020 0.000 1.181 625 A CA 1.380 53.397 52.037 -0.033 0.000 0.623 625 A CB -0.877 18.206 19.000 0.138 0.000 0.818 625 A HN 0.604 nan 8.150 nan 0.000 0.443 626 I N -0.239 120.200 120.570 -0.218 0.000 2.163 626 I HA -0.242 3.927 4.170 -0.003 0.000 0.243 626 I C 2.731 178.786 176.117 -0.103 0.000 1.085 626 I CA 1.247 62.370 61.300 -0.294 0.000 1.347 626 I CB -0.724 36.986 38.000 -0.483 0.000 1.044 626 I HN 0.398 nan 8.210 nan 0.000 0.408 627 G N 0.461 109.205 108.800 -0.094 0.000 2.440 627 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.218 627 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.218 627 G C 1.252 176.176 174.900 0.040 0.000 1.154 627 G CA 1.044 46.117 45.100 -0.044 0.000 0.767 627 G HN 0.304 nan 8.290 nan 0.000 0.552 628 D N 0.085 120.521 120.400 0.060 0.000 2.149 628 D HA -0.095 4.544 4.640 -0.003 0.000 0.198 628 D C 2.694 179.071 176.300 0.129 0.000 0.990 628 D CA 0.838 54.906 54.000 0.113 0.000 0.839 628 D CB -0.217 40.580 40.800 -0.004 0.000 0.948 628 D HN 0.272 nan 8.370 nan 0.000 0.460 629 V N 0.273 120.198 119.914 0.017 0.000 2.300 629 V HA -0.142 3.976 4.120 -0.003 0.000 0.241 629 V C 2.651 178.689 176.094 -0.093 0.000 1.034 629 V CA 0.770 63.007 62.300 -0.106 0.000 1.021 629 V CB -0.463 31.180 31.823 -0.301 0.000 0.662 629 V HN 0.013 nan 8.190 nan 0.000 0.458 630 V N 1.148 120.953 119.914 -0.182 0.000 2.295 630 V HA -0.235 3.883 4.120 -0.003 0.000 0.246 630 V C 2.154 178.227 176.094 -0.035 0.000 1.049 630 V CA 2.213 64.412 62.300 -0.170 0.000 1.024 630 V CB -0.965 30.761 31.823 -0.162 0.000 0.648 630 V HN 0.582 nan 8.190 nan 0.000 0.447 631 N N -0.345 118.300 118.700 -0.092 0.000 2.573 631 N HA -0.100 4.639 4.740 -0.003 0.000 0.187 631 N C 1.220 176.473 175.510 -0.428 0.000 1.107 631 N CA 0.945 53.848 53.050 -0.246 0.000 0.918 631 N CB -0.299 37.989 38.487 -0.331 0.000 0.966 631 N HN 0.702 nan 8.380 nan 0.000 0.448 632 H N -1.660 117.410 119.070 -0.001 0.000 3.058 632 H HA 0.197 4.751 4.556 -0.003 0.000 0.266 632 H C -0.436 174.909 175.328 0.028 0.000 1.135 632 H CA -0.528 55.523 56.048 0.005 0.000 1.174 632 H CB 0.606 30.358 29.762 -0.015 0.000 1.581 632 H HN -0.010 nan 8.280 nan 0.000 0.553 633 D N 2.811 123.294 120.400 0.140 0.000 2.338 633 D HA 0.007 4.645 4.640 -0.003 0.000 0.255 633 D C -1.414 174.952 176.300 0.110 0.000 1.237 633 D CA -1.910 52.188 54.000 0.163 0.000 0.883 633 D CB 1.537 42.525 40.800 0.313 0.000 1.087 633 D HN 0.166 nan 8.370 nan 0.000 0.485 634 P HA -0.104 nan 4.420 nan 0.000 0.223 634 P C 1.512 178.838 177.300 0.043 0.000 1.151 634 P CA 0.290 63.422 63.100 0.053 0.000 0.787 634 P CB 0.488 32.215 31.700 0.044 0.000 0.788 635 V N -0.170 119.772 119.914 0.047 0.000 2.515 635 V HA -0.146 3.972 4.120 -0.003 0.000 0.250 635 V C 2.676 178.782 176.094 0.020 0.000 1.058 635 V CA 1.431 63.744 62.300 0.023 0.000 1.064 635 V CB -0.805 31.019 31.823 0.002 0.000 0.675 635 V HN -0.023 nan 8.190 nan 0.000 0.461 636 V N -0.413 119.533 119.914 0.052 0.000 2.379 636 V HA 0.236 4.354 4.120 -0.003 0.000 0.243 636 V C 1.885 177.997 176.094 0.030 0.000 1.035 636 V CA 1.302 63.633 62.300 0.051 0.000 1.035 636 V CB -1.067 30.835 31.823 0.133 0.000 0.673 636 V HN 0.660 nan 8.190 nan 0.000 0.457 637 G N 1.967 110.786 108.800 0.032 0.000 2.614 637 G HA2 -0.422 3.536 3.960 -0.003 0.000 0.303 637 G HA3 -0.422 3.536 3.960 -0.003 0.000 0.303 637 G C 0.402 175.311 174.900 0.014 0.000 1.270 637 G CA 0.721 45.832 45.100 0.019 0.000 0.988 637 G HN 0.683 nan 8.290 nan 0.000 0.551 638 D N 0.388 120.802 120.400 0.022 0.000 2.328 638 D HA 0.135 4.773 4.640 -0.003 0.000 0.226 638 D C 2.018 178.324 176.300 0.010 0.000 1.066 638 D CA 0.504 54.523 54.000 0.031 0.000 0.861 638 D CB -0.163 40.677 40.800 0.067 0.000 0.912 638 D HN 0.615 nan 8.370 nan 0.000 0.521 639 R N -0.810 119.685 120.500 -0.008 0.000 2.148 639 R HA 0.185 4.523 4.340 -0.003 0.000 0.223 639 R C 0.026 176.287 176.300 -0.066 0.000 1.088 639 R CA 0.432 56.504 56.100 -0.048 0.000 0.985 639 R CB 0.064 30.326 30.300 -0.064 0.000 0.880 639 R HN 0.165 nan 8.270 nan 0.000 0.451 640 L N -0.185 121.016 121.223 -0.037 0.000 2.526 640 L HA 0.413 4.751 4.340 -0.003 0.000 0.263 640 L C -1.602 175.247 176.870 -0.035 0.000 0.943 640 L CA -0.659 54.155 54.840 -0.044 0.000 0.859 640 L CB 1.998 44.040 42.059 -0.027 0.000 1.313 640 L HN -0.166 nan 8.230 nan 0.000 0.406 641 R N 3.161 123.626 120.500 -0.059 0.000 2.604 641 R HA 0.870 5.208 4.340 -0.003 0.000 0.281 641 R C -1.935 174.312 176.300 -0.087 0.000 1.020 641 R CA -0.639 55.419 56.100 -0.071 0.000 0.899 641 R CB 2.255 32.513 30.300 -0.071 0.000 1.205 641 R HN 0.463 nan 8.270 nan 0.000 0.450 642 V N 6.055 125.917 119.914 -0.086 0.000 2.409 642 V HA 0.496 4.615 4.120 -0.003 0.000 0.291 642 V C -0.097 175.955 176.094 -0.069 0.000 1.020 642 V CA -0.705 61.544 62.300 -0.085 0.000 0.848 642 V CB 1.240 33.008 31.823 -0.091 0.000 0.990 642 V HN 0.673 nan 8.190 nan 0.000 0.430 643 I N 1.098 121.627 120.570 -0.069 0.000 2.608 643 I HA 0.682 4.850 4.170 -0.003 0.000 0.295 643 I C -1.255 174.855 176.117 -0.012 0.000 1.049 643 I CA -0.777 60.497 61.300 -0.043 0.000 1.063 643 I CB 2.185 40.140 38.000 -0.076 0.000 1.248 643 I HN 0.472 nan 8.210 nan 0.000 0.424 644 F N 6.542 126.428 119.950 -0.107 0.000 2.371 644 F HA 0.534 5.059 4.527 -0.002 0.000 0.363 644 F C -0.424 175.319 175.800 -0.095 0.000 1.122 644 F CA -0.622 57.318 58.000 -0.099 0.000 1.129 644 F CB 1.005 39.946 39.000 -0.098 0.000 1.173 644 F HN 0.395 nan 8.300 nan 0.000 0.489 645 L N 6.085 127.009 121.223 -0.498 0.000 2.385 645 L HA 0.156 4.494 4.340 -0.003 0.000 0.281 645 L C 0.439 177.157 176.870 -0.254 0.000 1.106 645 L CA 0.001 54.669 54.840 -0.287 0.000 0.856 645 L CB 0.345 42.303 42.059 -0.169 0.000 1.186 645 L HN 0.632 nan 8.230 nan 0.000 0.453 646 E N 4.309 124.462 120.200 -0.079 0.000 2.373 646 E HA -0.052 4.297 4.350 -0.003 0.000 0.267 646 E C 0.372 177.064 176.600 0.154 0.000 1.032 646 E CA -0.397 56.061 56.400 0.096 0.000 0.889 646 E CB 0.471 30.181 29.700 0.017 0.000 0.984 646 E HN 0.573 nan 8.360 nan 0.000 0.425 647 N N 2.629 121.454 118.700 0.208 0.000 2.738 647 N HA -0.278 4.461 4.740 -0.003 0.000 0.249 647 N C -1.529 174.073 175.510 0.153 0.000 1.047 647 N CA 0.540 53.697 53.050 0.178 0.000 0.707 647 N CB -1.730 36.875 38.487 0.197 0.000 0.937 647 N HN 0.516 nan 8.380 nan 0.000 0.545 648 Y N 1.608 121.923 120.300 0.024 0.000 2.729 648 Y HA 0.118 4.666 4.550 -0.003 0.000 0.331 648 Y C 1.150 177.066 175.900 0.026 0.000 1.208 648 Y CA 0.732 58.833 58.100 0.001 0.000 1.521 648 Y CB 0.258 38.687 38.460 -0.052 0.000 1.233 648 Y HN 0.357 nan 8.280 nan 0.000 0.539 649 R N 2.512 122.659 120.500 -0.587 0.000 2.762 649 R HA 0.452 4.790 4.340 -0.003 0.000 0.271 649 R C -0.400 175.547 176.300 -0.589 0.000 1.038 649 R CA -0.565 55.263 56.100 -0.453 0.000 0.906 649 R CB 0.320 30.536 30.300 -0.141 0.000 1.259 649 R HN 0.353 nan 8.270 nan 0.000 0.457 650 V N 1.128 120.727 119.914 -0.525 0.000 2.287 650 V HA -0.291 3.827 4.120 -0.003 0.000 0.248 650 V C 2.580 178.533 176.094 -0.235 0.000 1.053 650 V CA 2.842 64.902 62.300 -0.400 0.000 1.027 650 V CB -0.849 30.705 31.823 -0.449 0.000 0.646 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N 0.051 115.626 115.700 -0.207 0.000 2.399 651 S HA -0.173 4.295 4.470 -0.003 0.000 0.231 651 S C 1.924 176.450 174.600 -0.123 0.000 1.022 651 S CA 1.599 59.706 58.200 -0.154 0.000 0.983 651 S CB -0.536 62.601 63.200 -0.105 0.000 0.803 651 S HN 0.386 nan 8.310 nan 0.000 0.480 652 L N 2.054 123.208 121.223 -0.117 0.000 2.109 652 L HA 0.301 4.639 4.340 -0.003 0.000 0.207 652 L C 2.704 179.577 176.870 0.004 0.000 1.086 652 L CA 1.384 56.195 54.840 -0.047 0.000 0.760 652 L CB -1.337 40.754 42.059 0.053 0.000 0.910 652 L HN 0.345 nan 8.230 nan 0.000 0.437 653 A N -0.646 122.152 122.820 -0.037 0.000 1.908 653 A HA -0.265 4.053 4.320 -0.003 0.000 0.218 653 A C 2.148 179.807 177.584 0.126 0.000 1.181 653 A CA 1.985 54.090 52.037 0.113 0.000 0.627 653 A CB -0.663 18.393 19.000 0.094 0.000 0.818 653 A HN 0.600 nan 8.150 nan 0.000 0.445 654 E N -0.451 119.811 120.200 0.103 0.000 2.204 654 E HA -0.181 4.167 4.350 -0.003 0.000 0.195 654 E C 1.971 178.556 176.600 -0.026 0.000 0.990 654 E CA 1.289 57.702 56.400 0.022 0.000 0.821 654 E CB -0.076 29.529 29.700 -0.159 0.000 0.750 654 E HN 0.639 nan 8.360 nan 0.000 0.477 655 K N 0.107 120.479 120.400 -0.046 0.000 2.078 655 K HA 0.001 4.320 4.320 -0.003 0.000 0.203 655 K C 2.203 178.730 176.600 -0.122 0.000 1.043 655 K CA 0.588 56.863 56.287 -0.021 0.000 0.960 655 K CB -0.082 32.392 32.500 -0.042 0.000 0.761 655 K HN -0.037 nan 8.250 nan 0.000 0.448 656 V N 1.881 121.598 119.914 -0.328 0.000 2.407 656 V HA -0.128 3.991 4.120 -0.003 0.000 0.245 656 V C 1.938 177.782 176.094 -0.417 0.000 1.041 656 V CA 1.182 62.999 62.300 -0.805 0.000 1.040 656 V CB -0.159 31.206 31.823 -0.762 0.000 0.671 656 V HN 0.245 nan 8.190 nan 0.000 0.455 657 I N 0.774 121.153 120.570 -0.318 0.000 2.163 657 I HA -0.149 4.019 4.170 -0.003 0.000 0.243 657 I C -0.246 175.741 176.117 -0.216 0.000 1.085 657 I CA 1.757 62.785 61.300 -0.453 0.000 1.347 657 I CB -1.583 36.019 38.000 -0.664 0.000 1.044 657 I HN 0.372 nan 8.210 nan 0.000 0.408 658 P HA -0.117 nan 4.420 nan 0.000 0.225 658 P C 0.940 178.240 177.300 0.000 0.000 1.148 658 P CA 1.235 64.315 63.100 -0.033 0.000 0.779 658 P CB 0.022 31.716 31.700 -0.009 0.000 0.780 659 A N -1.184 121.627 122.820 -0.016 0.000 2.275 659 A HA 0.470 4.789 4.320 -0.003 0.000 0.212 659 A C 1.159 178.837 177.584 0.157 0.000 1.201 659 A CA 0.099 52.179 52.037 0.072 0.000 0.843 659 A CB -0.635 18.442 19.000 0.128 0.000 0.873 659 A HN 0.196 nan 8.150 nan 0.000 0.492 660 A N -0.018 122.889 122.820 0.146 0.000 2.363 660 A HA 0.482 4.800 4.320 -0.003 0.000 0.270 660 A C 0.328 178.060 177.584 0.246 0.000 1.121 660 A CA -0.237 51.954 52.037 0.257 0.000 0.800 660 A CB 0.357 19.619 19.000 0.437 0.000 1.052 660 A HN 0.269 nan 8.150 nan 0.000 0.493 661 D N 0.492 121.038 120.400 0.242 0.000 2.338 661 D HA 0.095 4.733 4.640 -0.003 0.000 0.224 661 D C -0.165 176.367 176.300 0.388 0.000 0.967 661 D CA 0.898 55.101 54.000 0.339 0.000 0.896 661 D CB 0.225 41.137 40.800 0.187 0.000 1.028 661 D HN 0.360 nan 8.370 nan 0.000 0.493 662 L N 0.506 121.831 121.223 0.169 0.000 2.356 662 L HA 0.348 4.686 4.340 -0.003 0.000 0.277 662 L C -0.732 176.022 176.870 -0.194 0.000 0.996 662 L CA -0.518 54.342 54.840 0.034 0.000 0.822 662 L CB 2.152 44.199 42.059 -0.020 0.000 1.256 662 L HN -0.293 nan 8.230 nan 0.000 0.413 663 S N 4.048 119.538 115.700 -0.349 0.000 2.422 663 S HA 0.433 4.901 4.470 -0.003 0.000 0.298 663 S C -0.577 173.735 174.600 -0.479 0.000 1.118 663 S CA -0.631 57.081 58.200 -0.814 0.000 1.083 663 S CB 0.300 62.990 63.200 -0.851 0.000 0.971 663 S HN 0.615 nan 8.310 nan 0.000 0.478 664 E N 4.096 124.017 120.200 -0.464 0.000 2.089 664 E HA 0.214 4.562 4.350 -0.003 0.000 0.284 664 E C -0.514 175.968 176.600 -0.196 0.000 1.023 664 E CA -0.358 55.911 56.400 -0.219 0.000 0.819 664 E CB 1.024 30.626 29.700 -0.162 0.000 1.076 664 E HN 0.608 nan 8.360 nan 0.000 0.396 665 Q N 2.801 122.546 119.800 -0.092 0.000 3.122 665 Q HA 0.265 4.603 4.340 -0.003 0.000 0.282 665 Q C 0.584 176.561 176.000 -0.039 0.000 0.947 665 Q CA -0.115 55.642 55.803 -0.076 0.000 0.812 665 Q CB 0.237 28.940 28.738 -0.057 0.000 1.333 665 Q HN 0.608 nan 8.270 nan 0.000 0.430 666 I N -1.777 118.756 120.570 -0.062 0.000 3.654 666 I HA 0.278 4.446 4.170 -0.003 0.000 0.337 666 I C 0.391 176.445 176.117 -0.104 0.000 1.568 666 I CA -0.683 60.590 61.300 -0.044 0.000 1.115 666 I CB 0.481 38.456 38.000 -0.042 0.000 1.300 666 I HN -0.014 nan 8.210 nan 0.000 0.471 667 S N 0.398 116.036 115.700 -0.104 0.000 2.568 667 S HA 0.153 4.621 4.470 -0.003 0.000 0.282 667 S C 0.587 175.161 174.600 -0.044 0.000 1.338 667 S CA -0.257 57.904 58.200 -0.066 0.000 1.045 667 S CB 0.220 63.430 63.200 0.016 0.000 0.873 667 S HN 0.401 nan 8.310 nan 0.000 0.516 668 T N 2.832 117.397 114.554 0.018 0.000 2.871 668 T HA 0.349 4.697 4.350 -0.003 0.000 0.296 668 T C 0.765 175.473 174.700 0.014 0.000 0.998 668 T CA 0.290 62.410 62.100 0.033 0.000 1.162 668 T CB -0.111 68.848 68.868 0.151 0.000 0.947 668 T HN 1.013 nan 8.240 nan 0.000 0.536 669 A N 2.890 125.686 122.820 -0.040 0.000 2.566 669 A HA 0.452 4.770 4.320 -0.003 0.000 0.245 669 A C 1.634 179.211 177.584 -0.013 0.000 1.056 669 A CA 0.288 52.298 52.037 -0.045 0.000 0.757 669 A CB -0.887 18.073 19.000 -0.067 0.000 0.979 669 A HN 1.700 nan 8.150 nan 0.000 0.508 670 G N 1.412 110.204 108.800 -0.013 0.000 2.179 670 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.220 670 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.220 670 G C 0.845 175.736 174.900 -0.014 0.000 0.990 670 G CA 1.044 46.139 45.100 -0.007 0.000 0.646 670 G HN 1.957 nan 8.290 nan 0.000 0.517 671 T N -2.402 112.143 114.554 -0.015 0.000 3.026 671 T HA 0.409 4.757 4.350 -0.003 0.000 0.245 671 T C 0.739 175.297 174.700 -0.237 0.000 1.004 671 T CA 1.033 63.070 62.100 -0.106 0.000 1.069 671 T CB 0.532 69.407 68.868 0.012 0.000 1.005 671 T HN 0.265 nan 8.240 nan 0.000 0.472 672 E N 1.621 121.818 120.200 -0.006 0.000 2.070 672 E HA 0.641 4.989 4.350 -0.003 0.000 0.282 672 E C 1.154 177.702 176.600 -0.087 0.000 1.104 672 E CA 0.138 56.570 56.400 0.053 0.000 0.876 672 E CB 0.826 30.606 29.700 0.132 0.000 1.055 672 E HN 0.373 nan 8.360 nan 0.000 0.401 673 A N 3.452 126.143 122.820 -0.216 0.000 1.892 673 A HA -0.201 4.117 4.320 -0.003 0.000 0.218 673 A C 2.003 179.468 177.584 -0.198 0.000 1.188 673 A CA 2.201 53.975 52.037 -0.438 0.000 0.631 673 A CB -0.272 18.242 19.000 -0.810 0.000 0.822 673 A HN 0.606 nan 8.150 nan 0.000 0.447 674 S N -3.784 111.861 115.700 -0.092 0.000 3.624 674 S HA 0.449 4.918 4.470 -0.003 0.000 0.244 674 S C 0.753 175.345 174.600 -0.014 0.000 1.115 674 S CA 1.459 59.649 58.200 -0.016 0.000 0.820 674 S CB -0.147 63.073 63.200 0.034 0.000 0.964 674 S HN 2.248 nan 8.310 nan 0.000 0.508 675 G N 0.354 109.151 108.800 -0.005 0.000 2.716 675 G HA2 -0.084 3.875 3.960 -0.003 0.000 0.686 675 G HA3 -0.084 3.875 3.960 -0.003 0.000 0.686 675 G C 0.254 175.139 174.900 -0.025 0.000 1.337 675 G CA 0.449 45.542 45.100 -0.012 0.000 0.829 675 G HN 1.295 nan 8.290 nan 0.000 0.599 676 T N -2.061 112.466 114.554 -0.046 0.000 3.029 676 T HA 0.380 4.728 4.350 -0.003 0.000 0.256 676 T C 2.360 176.966 174.700 -0.158 0.000 0.914 676 T CA 1.228 63.273 62.100 -0.091 0.000 0.880 676 T CB 0.263 69.072 68.868 -0.098 0.000 1.246 676 T HN 1.890 nan 8.240 nan 0.000 0.523 677 G N 3.366 112.101 108.800 -0.108 0.000 2.442 677 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.219 677 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.219 677 G C 1.554 176.514 174.900 0.099 0.000 1.141 677 G CA 1.360 46.419 45.100 -0.069 0.000 0.763 677 G HN 0.683 nan 8.290 nan 0.000 0.554 678 N N 0.799 119.536 118.700 0.062 0.000 2.061 678 N HA -0.147 4.591 4.740 -0.003 0.000 0.193 678 N C 1.446 176.965 175.510 0.015 0.000 1.030 678 N CA 1.023 54.107 53.050 0.058 0.000 0.856 678 N CB -0.655 37.814 38.487 -0.030 0.000 1.023 678 N HN 0.391 nan 8.380 nan 0.000 0.424 682 M N 0.276 119.956 119.600 0.133 0.000 2.117 682 M HA -0.132 4.346 4.480 -0.003 0.000 0.262 682 M C 2.017 178.367 176.300 0.083 0.000 1.065 682 M CA 1.817 57.164 55.300 0.079 0.000 1.114 682 M CB -0.074 32.581 32.600 0.092 0.000 1.361 682 M HN 0.310 nan 8.290 nan 0.000 0.408 683 L N 0.857 122.131 121.223 0.085 0.000 2.201 683 L HA -0.099 4.239 4.340 -0.003 0.000 0.212 683 L C 1.328 178.241 176.870 0.072 0.000 1.105 683 L CA 1.666 56.563 54.840 0.094 0.000 0.775 683 L CB -0.653 41.472 42.059 0.110 0.000 0.913 683 L HN 0.361 nan 8.230 nan 0.000 0.440 684 N N -0.318 118.413 118.700 0.051 0.000 2.235 684 N HA 0.168 4.907 4.740 -0.003 0.000 0.209 684 N C 0.832 176.371 175.510 0.048 0.000 1.122 684 N CA 0.776 53.849 53.050 0.038 0.000 0.845 684 N CB 0.565 39.050 38.487 -0.003 0.000 1.004 684 N HN 0.413 nan 8.380 nan 0.000 0.499 685 G N 0.623 109.456 108.800 0.054 0.000 2.142 685 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.225 685 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.225 685 G C 0.008 174.964 174.900 0.092 0.000 1.015 685 G CA 0.151 45.280 45.100 0.048 0.000 0.716 685 G HN 0.510 nan 8.290 nan 0.000 0.508 686 A N -0.379 122.510 122.820 0.114 0.000 2.306 686 A HA 0.886 5.204 4.320 -0.003 0.000 0.330 686 A C 0.419 177.992 177.584 -0.019 0.000 1.146 686 A CA -0.609 51.517 52.037 0.148 0.000 0.827 686 A CB 0.970 20.135 19.000 0.275 0.000 1.178 686 A HN 0.735 nan 8.150 nan 0.000 0.490 687 L N 0.733 121.908 121.223 -0.080 0.000 2.379 687 L HA 0.449 4.787 4.340 -0.003 0.000 0.269 687 L C 0.166 176.918 176.870 -0.195 0.000 1.084 687 L CA -0.378 54.307 54.840 -0.259 0.000 0.802 687 L CB 1.572 43.384 42.059 -0.412 0.000 1.175 687 L HN 0.676 nan 8.230 nan 0.000 0.448 688 T N 2.827 117.184 114.554 -0.329 0.000 2.771 688 T HA 0.449 4.797 4.350 -0.003 0.000 0.281 688 T C -0.372 174.343 174.700 0.024 0.000 0.982 688 T CA -0.239 61.720 62.100 -0.235 0.000 0.978 688 T CB 1.393 70.051 68.868 -0.351 0.000 0.930 688 T HN 0.344 nan 8.240 nan 0.000 0.447 689 I N 3.164 123.768 120.570 0.057 0.000 2.321 689 I HA 0.697 4.865 4.170 -0.003 0.000 0.291 689 I C 0.138 176.436 176.117 0.302 0.000 0.998 689 I CA 0.121 61.554 61.300 0.222 0.000 1.227 689 I CB 0.263 38.310 38.000 0.077 0.000 1.368 689 I HN 0.769 nan 8.210 nan 0.000 0.466 690 G N 3.989 113.027 108.800 0.396 0.000 2.646 690 G HA2 0.457 4.416 3.960 -0.003 0.000 0.291 690 G HA3 0.457 4.416 3.960 -0.003 0.000 0.291 690 G C -0.898 173.890 174.900 -0.186 0.000 1.445 690 G CA -0.482 44.721 45.100 0.173 0.000 0.814 690 G HN 0.568 nan 8.290 nan 0.000 0.495 691 T N -1.062 113.246 114.554 -0.410 0.000 2.849 691 T HA 0.483 4.831 4.350 -0.003 0.000 0.284 691 T C 0.789 175.351 174.700 -0.230 0.000 1.004 691 T CA -0.680 61.117 62.100 -0.505 0.000 1.021 691 T CB 1.067 69.662 68.868 -0.455 0.000 1.013 691 T HN 0.264 nan 8.240 nan 0.000 0.527 692 M N 2.906 122.390 119.600 -0.194 0.000 3.254 692 M HA 0.306 4.784 4.480 -0.003 0.000 0.257 692 M C -0.445 175.797 176.300 -0.097 0.000 1.490 692 M CA 0.054 55.282 55.300 -0.121 0.000 1.620 692 M CB -1.780 30.761 32.600 -0.098 0.000 1.157 692 M HN 0.728 nan 8.290 nan 0.000 0.541 693 D N 0.087 120.435 120.400 -0.088 0.000 2.732 693 D HA 0.659 5.298 4.640 -0.003 0.000 0.229 693 D C 0.660 176.933 176.300 -0.045 0.000 1.152 693 D CA 0.750 54.714 54.000 -0.060 0.000 0.854 693 D CB 1.725 42.490 40.800 -0.058 0.000 1.590 693 D HN 0.611 nan 8.370 nan 0.000 0.468 694 G N 1.899 110.684 108.800 -0.025 0.000 2.614 694 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.303 694 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.303 694 G C 1.024 175.917 174.900 -0.012 0.000 1.270 694 G CA 1.104 46.196 45.100 -0.014 0.000 0.988 694 G HN 1.085 nan 8.290 nan 0.000 0.551 695 A N -0.242 122.567 122.820 -0.019 0.000 2.206 695 A HA 0.139 4.458 4.320 -0.003 0.000 0.211 695 A C 2.078 179.591 177.584 -0.117 0.000 1.158 695 A CA 1.723 53.742 52.037 -0.029 0.000 0.761 695 A CB -0.440 18.544 19.000 -0.027 0.000 0.801 695 A HN 0.620 nan 8.150 nan 0.000 0.473 696 N N 0.575 119.212 118.700 -0.105 0.000 2.132 696 N HA -0.165 4.573 4.740 -0.003 0.000 0.191 696 N C 1.577 176.974 175.510 -0.189 0.000 1.015 696 N CA 1.678 54.657 53.050 -0.118 0.000 0.864 696 N CB -0.585 37.865 38.487 -0.061 0.000 1.006 696 N HN 0.306 nan 8.380 nan 0.000 0.430 697 V N 1.076 120.914 119.914 -0.126 0.000 2.295 697 V HA -0.197 3.921 4.120 -0.003 0.000 0.246 697 V C 1.940 177.962 176.094 -0.120 0.000 1.049 697 V CA 1.674 63.900 62.300 -0.122 0.000 1.024 697 V CB -0.507 31.275 31.823 -0.068 0.000 0.648 697 V HN 0.340 nan 8.190 nan 0.000 0.447 698 E N -0.542 119.639 120.200 -0.031 0.000 2.152 698 E HA -0.122 4.226 4.350 -0.003 0.000 0.192 698 E C 2.208 178.912 176.600 0.172 0.000 0.983 698 E CA 0.986 57.442 56.400 0.093 0.000 0.818 698 E CB -0.186 29.653 29.700 0.232 0.000 0.758 698 E HN 0.535 nan 8.360 nan 0.000 0.467 699 M N 0.519 120.093 119.600 -0.043 0.000 2.086 699 M HA -0.165 4.313 4.480 -0.003 0.000 0.261 699 M C 2.517 178.458 176.300 -0.598 0.000 1.067 699 M CA 1.620 56.783 55.300 -0.228 0.000 1.116 699 M CB -0.242 32.108 32.600 -0.417 0.000 1.348 699 M HN 0.154 nan 8.290 nan 0.000 0.407 700 A N -0.181 122.019 122.820 -1.033 0.000 1.908 700 A HA -0.231 4.087 4.320 -0.003 0.000 0.218 700 A C 2.002 179.352 177.584 -0.391 0.000 1.181 700 A CA 2.012 53.425 52.037 -1.040 0.000 0.627 700 A CB -0.860 17.708 19.000 -0.719 0.000 0.818 700 A HN 0.590 nan 8.150 nan 0.000 0.445 701 E N -0.452 119.612 120.200 -0.226 0.000 2.077 701 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 701 E C 1.834 178.402 176.600 -0.054 0.000 0.989 701 E CA 1.301 57.640 56.400 -0.102 0.000 0.800 701 E CB -0.085 29.580 29.700 -0.058 0.000 0.746 701 E HN 0.563 nan 8.360 nan 0.000 0.452 702 E N 0.005 120.199 120.200 -0.010 0.000 2.072 702 E HA -0.150 4.198 4.350 -0.003 0.000 0.191 702 E C 1.820 178.449 176.600 0.048 0.000 0.985 702 E CA 1.159 57.583 56.400 0.039 0.000 0.801 702 E CB -0.177 29.606 29.700 0.139 0.000 0.750 702 E HN 0.351 nan 8.360 nan 0.000 0.452 703 A N 0.267 123.121 122.820 0.057 0.000 2.081 703 A HA 0.338 4.656 4.320 -0.003 0.000 0.214 703 A C 1.058 178.682 177.584 0.067 0.000 1.158 703 A CA 1.061 53.170 52.037 0.121 0.000 0.724 703 A CB 0.023 19.221 19.000 0.329 0.000 0.826 703 A HN 0.249 nan 8.150 nan 0.000 0.463 704 G N -0.448 108.354 108.800 0.004 0.000 3.190 704 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.686 704 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.686 704 G C 0.006 174.905 174.900 -0.002 0.000 1.033 704 G CA 0.050 45.145 45.100 -0.009 0.000 0.797 704 G HN 0.268 nan 8.290 nan 0.000 0.567 705 E N 0.609 120.785 120.200 -0.040 0.000 2.171 705 E HA -0.219 4.129 4.350 -0.003 0.000 0.197 705 E C 2.383 178.981 176.600 -0.005 0.000 0.997 705 E CA 1.391 57.773 56.400 -0.030 0.000 0.810 705 E CB 0.070 29.744 29.700 -0.043 0.000 0.738 705 E HN 0.799 nan 8.360 nan 0.000 0.467 706 E N 0.843 121.027 120.200 -0.026 0.000 2.331 706 E HA -0.204 4.145 4.350 -0.003 0.000 0.199 706 E C 0.890 177.422 176.600 -0.113 0.000 1.008 706 E CA 0.945 57.306 56.400 -0.065 0.000 0.843 706 E CB -0.158 29.512 29.700 -0.050 0.000 0.761 706 E HN 0.223 nan 8.360 nan 0.000 0.507 707 N N -0.447 118.234 118.700 -0.031 0.000 2.230 707 N HA 0.145 4.883 4.740 -0.003 0.000 0.202 707 N C -0.896 174.568 175.510 -0.077 0.000 1.119 707 N CA 0.059 53.069 53.050 -0.066 0.000 0.851 707 N CB 0.281 38.784 38.487 0.027 0.000 0.990 707 N HN 0.026 nan 8.380 nan 0.000 0.497 708 F N -0.392 119.397 119.950 -0.269 0.000 2.546 708 F HA 0.411 4.936 4.527 -0.004 0.000 0.320 708 F C -0.165 175.463 175.800 -0.287 0.000 1.076 708 F CA -1.085 56.795 58.000 -0.200 0.000 0.928 708 F CB 1.092 40.044 39.000 -0.080 0.000 1.189 708 F HN -0.209 nan 8.300 nan 0.000 0.465 709 F N 4.513 124.516 119.950 0.090 0.000 2.467 709 F HA 0.318 4.843 4.527 -0.003 0.000 0.349 709 F C -0.104 175.833 175.800 0.228 0.000 1.182 709 F CA -0.415 57.652 58.000 0.112 0.000 1.279 709 F CB -0.294 38.731 39.000 0.042 0.000 1.626 709 F HN 0.004 nan 8.300 nan 0.000 0.596 710 I N 3.570 124.320 120.570 0.300 0.000 2.428 710 I HA 0.296 4.464 4.170 -0.003 0.000 0.289 710 I C -0.051 176.234 176.117 0.280 0.000 1.019 710 I CA -0.614 60.822 61.300 0.227 0.000 1.351 710 I CB 0.366 38.423 38.000 0.095 0.000 1.412 710 I HN 0.297 nan 8.210 nan 0.000 0.513 711 F N 2.639 122.646 119.950 0.096 0.000 2.685 711 F HA 0.879 5.404 4.527 -0.004 0.000 0.315 711 F C 0.036 175.872 175.800 0.060 0.000 1.126 711 F CA -0.540 57.510 58.000 0.084 0.000 0.950 711 F CB 1.295 40.364 39.000 0.114 0.000 1.360 711 F HN 0.812 nan 8.300 nan 0.000 0.469 712 G N 1.050 109.935 108.800 0.141 0.000 2.757 712 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.638 712 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.638 712 G C -0.834 174.048 174.900 -0.030 0.000 1.344 712 G CA -0.644 44.484 45.100 0.047 0.000 0.855 712 G HN 0.976 nan 8.290 nan 0.000 0.537 713 M N 0.315 119.908 119.600 -0.012 0.000 2.251 713 M HA 0.219 4.697 4.480 -0.003 0.000 0.343 713 M C 1.135 177.403 176.300 -0.054 0.000 1.245 713 M CA 0.314 55.608 55.300 -0.011 0.000 1.061 713 M CB 0.279 32.880 32.600 0.000 0.000 1.723 713 M HN 0.551 nan 8.290 nan 0.000 0.449 714 R N 1.405 121.885 120.500 -0.033 0.000 2.546 714 R HA 0.238 4.576 4.340 -0.003 0.000 0.266 714 R C 1.099 177.381 176.300 -0.030 0.000 1.086 714 R CA -0.488 55.587 56.100 -0.041 0.000 1.160 714 R CB 0.223 30.506 30.300 -0.028 0.000 1.138 714 R HN 0.577 nan 8.270 nan 0.000 0.567 715 V N 1.711 121.606 119.914 -0.031 0.000 2.324 715 V HA -0.319 3.799 4.120 -0.003 0.000 0.250 715 V C 2.116 178.202 176.094 -0.014 0.000 1.060 715 V CA 2.410 64.696 62.300 -0.024 0.000 1.042 715 V CB -0.758 31.050 31.823 -0.025 0.000 0.650 715 V HN 0.867 nan 8.190 nan 0.000 0.450 716 E N 0.216 120.409 120.200 -0.011 0.000 2.097 716 E HA -0.305 4.044 4.350 -0.003 0.000 0.196 716 E C 1.628 178.233 176.600 0.009 0.000 1.000 716 E CA 1.930 58.328 56.400 -0.002 0.000 0.804 716 E CB -0.537 29.162 29.700 -0.002 0.000 0.740 716 E HN 0.622 nan 8.360 nan 0.000 0.454 717 D N 1.056 121.463 120.400 0.012 0.000 2.123 717 D HA -0.083 4.555 4.640 -0.003 0.000 0.200 717 D C 2.335 178.653 176.300 0.031 0.000 0.976 717 D CA 1.163 55.181 54.000 0.030 0.000 0.831 717 D CB -0.087 40.735 40.800 0.036 0.000 0.974 717 D HN 0.141 nan 8.370 nan 0.000 0.469 718 V N 2.053 121.973 119.914 0.009 0.000 2.287 718 V HA -0.230 3.888 4.120 -0.003 0.000 0.248 718 V C 1.977 178.073 176.094 0.004 0.000 1.053 718 V CA 1.792 64.089 62.300 -0.004 0.000 1.027 718 V CB -0.472 31.338 31.823 -0.021 0.000 0.646 718 V HN 0.037 nan 8.190 nan 0.000 0.447 719 D N -0.172 120.230 120.400 0.004 0.000 2.149 719 D HA -0.157 4.481 4.640 -0.003 0.000 0.198 719 D C 2.408 178.721 176.300 0.022 0.000 0.990 719 D CA 1.238 55.242 54.000 0.007 0.000 0.839 719 D CB -0.279 40.521 40.800 0.001 0.000 0.948 719 D HN 0.390 nan 8.370 nan 0.000 0.460 720 R N 0.031 120.549 120.500 0.031 0.000 2.081 720 R HA -0.015 4.323 4.340 -0.003 0.000 0.235 720 R C 2.538 178.877 176.300 0.064 0.000 1.131 720 R CA 0.501 56.627 56.100 0.043 0.000 0.960 720 R CB -0.326 30.002 30.300 0.046 0.000 0.856 720 R HN 0.205 nan 8.270 nan 0.000 0.436 721 L N 0.661 121.933 121.223 0.082 0.000 2.046 721 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 721 L C 1.661 178.598 176.870 0.111 0.000 1.077 721 L CA 1.221 56.138 54.840 0.128 0.000 0.747 721 L CB -0.322 41.835 42.059 0.165 0.000 0.896 721 L HN 0.215 nan 8.230 nan 0.000 0.432 722 D N -0.484 119.955 120.400 0.065 0.000 2.117 722 D HA -0.207 4.431 4.640 -0.003 0.000 0.197 722 D C 2.223 178.551 176.300 0.046 0.000 0.987 722 D CA 1.115 55.143 54.000 0.047 0.000 0.829 722 D CB -0.084 40.724 40.800 0.014 0.000 0.961 722 D HN 0.411 nan 8.370 nan 0.000 0.460 723 Q N -0.079 119.745 119.800 0.041 0.000 2.124 723 Q HA -0.151 4.187 4.340 -0.003 0.000 0.202 723 Q C 2.051 178.075 176.000 0.040 0.000 0.977 723 Q CA 1.379 57.203 55.803 0.034 0.000 0.850 723 Q CB -0.016 28.740 28.738 0.030 0.000 0.901 723 Q HN 0.329 nan 8.270 nan 0.000 0.429 724 R N -0.820 119.711 120.500 0.053 0.000 2.334 724 R HA 0.282 4.621 4.340 -0.003 0.000 0.212 724 R C 0.024 176.360 176.300 0.059 0.000 0.897 724 R CA 0.541 56.671 56.100 0.051 0.000 1.056 724 R CB 0.590 30.920 30.300 0.051 0.000 1.046 724 R HN 0.053 nan 8.270 nan 0.000 0.513 725 G N 1.089 109.937 108.800 0.080 0.000 3.322 725 G HA2 -0.273 3.686 3.960 -0.003 0.000 0.686 725 G HA3 -0.273 3.686 3.960 -0.003 0.000 0.686 725 G C -1.350 173.637 174.900 0.144 0.000 1.015 725 G CA -0.381 44.775 45.100 0.093 0.000 0.826 725 G HN 0.312 nan 8.290 nan 0.000 0.538 726 Y N 3.157 123.483 120.300 0.044 0.000 2.480 726 Y HA 0.548 5.096 4.550 -0.003 0.000 0.341 726 Y C 0.343 176.289 175.900 0.076 0.000 1.031 726 Y CA -1.001 57.143 58.100 0.074 0.000 1.295 726 Y CB 1.032 39.515 38.460 0.038 0.000 1.162 726 Y HN 0.608 nan 8.280 nan 0.000 0.523 727 N N 4.979 123.461 118.700 -0.364 0.000 2.621 727 N HA 0.327 5.065 4.740 -0.003 0.000 0.237 727 N C 0.349 175.597 175.510 -0.437 0.000 0.997 727 N CA 0.287 53.123 53.050 -0.356 0.000 0.918 727 N CB 1.067 39.470 38.487 -0.140 0.000 1.122 727 N HN 0.787 nan 8.380 nan 0.000 0.510 728 A N 2.747 125.181 122.820 -0.643 0.000 1.978 728 A HA -0.204 4.115 4.320 -0.003 0.000 0.220 728 A C 1.885 179.583 177.584 0.190 0.000 1.170 728 A CA 1.489 53.391 52.037 -0.225 0.000 0.636 728 A CB -0.419 18.365 19.000 -0.361 0.000 0.810 728 A HN 0.698 nan 8.150 nan 0.000 0.448 729 Q N 0.217 120.014 119.800 -0.005 0.000 2.135 729 Q HA -0.228 4.110 4.340 -0.003 0.000 0.204 729 Q C 1.904 177.969 176.000 0.108 0.000 0.981 729 Q CA 2.246 58.071 55.803 0.035 0.000 0.856 729 Q CB -0.352 28.355 28.738 -0.053 0.000 0.902 729 Q HN 0.785 nan 8.270 nan 0.000 0.425 730 E N -1.363 118.842 120.200 0.008 0.000 2.085 730 E HA -0.247 4.101 4.350 -0.003 0.000 0.194 730 E C 1.534 178.068 176.600 -0.109 0.000 0.994 730 E CA 1.510 57.845 56.400 -0.108 0.000 0.801 730 E CB -0.232 29.298 29.700 -0.283 0.000 0.743 730 E HN 0.593 nan 8.360 nan 0.000 0.453 731 Y N -1.035 119.335 120.300 0.117 0.000 2.200 731 Y HA -0.194 4.354 4.550 -0.003 0.000 0.290 731 Y C 2.253 178.163 175.900 0.017 0.000 1.137 731 Y CA 1.468 59.631 58.100 0.106 0.000 1.163 731 Y CB -0.787 37.798 38.460 0.208 0.000 0.988 731 Y HN 0.210 nan 8.280 nan 0.000 0.518 732 Y N 1.550 121.893 120.300 0.072 0.000 2.114 732 Y HA -0.322 4.226 4.550 -0.003 0.000 0.282 732 Y C 1.897 177.770 175.900 -0.045 0.000 1.165 732 Y CA 2.055 60.118 58.100 -0.063 0.000 1.148 732 Y CB -0.476 37.998 38.460 0.023 0.000 0.972 732 Y HN 0.102 nan 8.280 nan 0.000 0.504 733 D N -0.438 120.083 120.400 0.202 0.000 2.219 733 D HA -0.105 4.534 4.640 -0.003 0.000 0.205 733 D C 1.989 178.280 176.300 -0.015 0.000 0.970 733 D CA 1.292 55.349 54.000 0.095 0.000 0.851 733 D CB -0.167 40.691 40.800 0.098 0.000 0.943 733 D HN 0.463 nan 8.370 nan 0.000 0.488 734 R N -0.481 120.006 120.500 -0.023 0.000 2.308 734 R HA 0.298 4.636 4.340 -0.003 0.000 0.202 734 R C 0.311 176.597 176.300 -0.024 0.000 0.898 734 R CA 0.114 56.197 56.100 -0.027 0.000 1.046 734 R CB 1.003 31.284 30.300 -0.032 0.000 1.026 734 R HN 0.106 nan 8.270 nan 0.000 0.512 735 I N 1.557 122.095 120.570 -0.053 0.000 2.464 735 I HA 0.231 4.399 4.170 -0.003 0.000 0.277 735 I C -2.030 174.003 176.117 -0.141 0.000 1.040 735 I CA -2.304 58.969 61.300 -0.045 0.000 1.153 735 I CB 2.037 40.048 38.000 0.018 0.000 1.274 735 I HN -0.269 nan 8.210 nan 0.000 0.469 736 P HA -0.164 nan 4.420 nan 0.000 0.216 736 P C 1.185 178.398 177.300 -0.145 0.000 1.150 736 P CA 1.387 64.403 63.100 -0.140 0.000 0.837 736 P CB 0.323 31.973 31.700 -0.084 0.000 0.786 737 E N -1.051 119.103 120.200 -0.077 0.000 2.106 737 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 737 E C 1.865 178.385 176.600 -0.133 0.000 0.984 737 E CA 0.611 56.986 56.400 -0.041 0.000 0.806 737 E CB -0.570 29.179 29.700 0.082 0.000 0.750 737 E HN 0.121 nan 8.360 nan 0.000 0.458 738 L N 1.270 122.318 121.223 -0.292 0.000 2.027 738 L HA -0.137 4.201 4.340 -0.003 0.000 0.206 738 L C 2.378 178.965 176.870 -0.471 0.000 1.074 738 L CA 1.690 56.161 54.840 -0.614 0.000 0.745 738 L CB -0.326 41.208 42.059 -0.877 0.000 0.898 738 L HN -0.108 nan 8.230 nan 0.000 0.433 739 R N -0.743 119.453 120.500 -0.506 0.000 2.096 739 R HA -0.269 4.069 4.340 -0.003 0.000 0.240 739 R C 2.459 178.571 176.300 -0.313 0.000 1.139 739 R CA 2.168 57.878 56.100 -0.651 0.000 0.952 739 R CB -0.431 29.425 30.300 -0.740 0.000 0.854 739 R HN 0.645 nan 8.270 nan 0.000 0.436 740 Q N 0.244 119.912 119.800 -0.220 0.000 2.061 740 Q HA -0.201 4.137 4.340 -0.003 0.000 0.204 740 Q C 2.035 177.992 176.000 -0.071 0.000 0.984 740 Q CA 2.136 57.861 55.803 -0.130 0.000 0.846 740 Q CB -0.112 28.556 28.738 -0.117 0.000 0.902 740 Q HN 0.492 nan 8.270 nan 0.000 0.421 741 I N 0.522 121.054 120.570 -0.063 0.000 2.202 741 I HA -0.274 3.895 4.170 -0.003 0.000 0.242 741 I C 2.126 178.294 176.117 0.085 0.000 1.091 741 I CA 0.562 61.882 61.300 0.033 0.000 1.368 741 I CB -0.300 37.694 38.000 -0.010 0.000 1.058 741 I HN 0.280 nan 8.210 nan 0.000 0.410 742 I N 0.651 121.248 120.570 0.045 0.000 2.208 742 I HA -0.236 3.932 4.170 -0.003 0.000 0.245 742 I C 2.544 178.779 176.117 0.197 0.000 1.097 742 I CA 1.564 62.965 61.300 0.167 0.000 1.363 742 I CB -1.374 36.797 38.000 0.286 0.000 1.051 742 I HN 0.290 nan 8.210 nan 0.000 0.413 743 E N 0.587 120.876 120.200 0.149 0.000 2.150 743 E HA -0.186 4.162 4.350 -0.003 0.000 0.193 743 E C 2.177 178.851 176.600 0.123 0.000 0.985 743 E CA 0.796 57.276 56.400 0.133 0.000 0.814 743 E CB -0.246 29.501 29.700 0.077 0.000 0.752 743 E HN 0.582 nan 8.360 nan 0.000 0.466 744 Q N 0.202 120.069 119.800 0.111 0.000 2.084 744 Q HA -0.087 4.251 4.340 -0.003 0.000 0.202 744 Q C 2.423 178.635 176.000 0.354 0.000 0.978 744 Q CA 1.028 56.929 55.803 0.164 0.000 0.844 744 Q CB -0.120 28.701 28.738 0.140 0.000 0.898 744 Q HN 0.249 nan 8.270 nan 0.000 0.426 745 L N -0.203 121.241 121.223 0.367 0.000 2.056 745 L HA -0.180 4.158 4.340 -0.003 0.000 0.207 745 L C 2.426 179.500 176.870 0.340 0.000 1.078 745 L CA 1.011 56.087 54.840 0.393 0.000 0.749 745 L CB -0.338 41.876 42.059 0.259 0.000 0.901 745 L HN 0.127 nan 8.230 nan 0.000 0.433 746 S N -0.358 115.494 115.700 0.253 0.000 2.387 746 S HA -0.133 4.335 4.470 -0.003 0.000 0.226 746 S C 2.105 176.809 174.600 0.174 0.000 1.026 746 S CA 1.415 59.737 58.200 0.204 0.000 0.972 746 S CB -0.200 63.103 63.200 0.172 0.000 0.814 746 S HN 0.591 nan 8.310 nan 0.000 0.477 747 S N 0.526 116.328 115.700 0.169 0.000 2.522 747 S HA 0.315 4.783 4.470 -0.003 0.000 0.227 747 S C 1.448 176.134 174.600 0.143 0.000 0.986 747 S CA 0.648 58.929 58.200 0.135 0.000 0.929 747 S CB -0.139 63.129 63.200 0.114 0.000 0.769 747 S HN 0.827 nan 8.310 nan 0.000 0.529 748 G N 0.709 109.625 108.800 0.193 0.000 2.131 748 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.201 748 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.201 748 G C 0.132 175.122 174.900 0.151 0.000 1.000 748 G CA 0.072 45.273 45.100 0.169 0.000 0.680 748 G HN 0.527 nan 8.290 nan 0.000 0.514 749 F N 0.092 120.043 119.950 0.001 0.000 2.216 749 F HA 0.216 4.741 4.527 -0.003 0.000 0.300 749 F C 1.813 177.421 175.800 -0.320 0.000 1.085 749 F CA 1.703 59.583 58.000 -0.199 0.000 1.326 749 F CB 0.008 38.812 39.000 -0.328 0.000 1.027 749 F HN 0.164 nan 8.300 nan 0.000 0.497 750 F N -0.050 119.945 119.950 0.075 0.000 2.693 750 F HA 0.198 4.723 4.527 -0.003 0.000 0.303 750 F C 0.669 176.542 175.800 0.121 0.000 1.097 750 F CA 0.176 58.181 58.000 0.008 0.000 1.330 750 F CB -0.065 38.986 39.000 0.085 0.000 1.067 750 F HN -0.005 nan 8.300 nan 0.000 0.565 751 S N -1.371 114.436 115.700 0.178 0.000 2.606 751 S HA 0.239 4.707 4.470 -0.003 0.000 0.156 751 S C -2.218 172.378 174.600 -0.006 0.000 1.308 751 S CA -0.866 57.363 58.200 0.049 0.000 1.228 751 S CB 0.575 63.725 63.200 -0.083 0.000 1.568 751 S HN -0.125 nan 8.310 nan 0.000 0.397 752 P HA -0.105 nan 4.420 nan 0.000 0.218 752 P C 0.936 178.222 177.300 -0.023 0.000 1.148 752 P CA 1.178 64.257 63.100 -0.035 0.000 0.822 752 P CB 0.076 31.734 31.700 -0.070 0.000 0.784 753 K N -0.849 119.534 120.400 -0.028 0.000 2.366 753 K HA -0.013 4.306 4.320 -0.003 0.000 0.198 753 K C 1.426 178.016 176.600 -0.016 0.000 1.044 753 K CA 0.533 56.808 56.287 -0.020 0.000 0.973 753 K CB 0.124 32.614 32.500 -0.018 0.000 0.767 753 K HN 0.163 nan 8.250 nan 0.000 0.475 754 Q N 0.089 119.874 119.800 -0.026 0.000 3.429 754 Q HA 0.144 4.482 4.340 -0.003 0.000 0.237 754 Q C -2.428 173.548 176.000 -0.040 0.000 0.932 754 Q CA -1.769 54.014 55.803 -0.032 0.000 0.731 754 Q CB 1.213 29.927 28.738 -0.040 0.000 1.383 754 Q HN -0.132 nan 8.270 nan 0.000 0.446 755 P HA -0.204 nan 4.420 nan 0.000 0.217 755 P C 0.520 177.838 177.300 0.030 0.000 1.151 755 P CA 1.540 64.654 63.100 0.025 0.000 0.849 755 P CB 0.191 31.912 31.700 0.035 0.000 0.787 756 D N -1.315 119.091 120.400 0.010 0.000 2.325 756 D HA -0.027 4.612 4.640 -0.003 0.000 0.225 756 D C 1.597 177.885 176.300 -0.020 0.000 1.096 756 D CA -0.168 53.848 54.000 0.026 0.000 0.844 756 D CB -0.800 40.020 40.800 0.033 0.000 0.925 756 D HN 0.025 nan 8.370 nan 0.000 0.513 757 L N -0.130 121.007 121.223 -0.143 0.000 2.043 757 L HA -0.058 4.281 4.340 -0.003 0.000 0.212 757 L C 1.244 177.905 176.870 -0.348 0.000 1.075 757 L CA 1.682 56.319 54.840 -0.338 0.000 0.752 757 L CB -0.636 41.021 42.059 -0.670 0.000 0.891 757 L HN 0.013 nan 8.230 nan 0.000 0.432 758 F N -0.498 119.510 119.950 0.096 0.000 2.639 758 F HA 0.125 4.650 4.527 -0.003 0.000 0.300 758 F C 1.877 177.739 175.800 0.102 0.000 1.109 758 F CA -0.150 57.901 58.000 0.084 0.000 1.335 758 F CB -0.343 38.696 39.000 0.065 0.000 1.014 758 F HN 0.112 nan 8.300 nan 0.000 0.537 759 K N -0.230 120.294 120.400 0.207 0.000 2.152 759 K HA -0.193 4.125 4.320 -0.003 0.000 0.206 759 K C 0.864 177.578 176.600 0.191 0.000 1.048 759 K CA 1.978 58.373 56.287 0.180 0.000 0.933 759 K CB -0.260 32.317 32.500 0.129 0.000 0.721 759 K HN 0.116 nan 8.250 nan 0.000 0.447 760 D N 1.341 121.864 120.400 0.205 0.000 2.117 760 D HA -0.063 4.575 4.640 -0.003 0.000 0.198 760 D C 2.098 178.519 176.300 0.203 0.000 0.982 760 D CA 1.072 55.200 54.000 0.214 0.000 0.828 760 D CB -0.145 40.819 40.800 0.274 0.000 0.967 760 D HN 0.299 nan 8.370 nan 0.000 0.464 761 I N 0.661 121.353 120.570 0.203 0.000 2.179 761 I HA -0.230 3.938 4.170 -0.003 0.000 0.242 761 I C 2.445 178.648 176.117 0.144 0.000 1.088 761 I CA 0.687 62.078 61.300 0.152 0.000 1.357 761 I CB -0.245 37.826 38.000 0.118 0.000 1.051 761 I HN -0.120 nan 8.210 nan 0.000 0.409 762 V N 1.200 121.219 119.914 0.175 0.000 2.332 762 V HA -0.302 3.816 4.120 -0.003 0.000 0.248 762 V C 2.228 178.404 176.094 0.136 0.000 1.055 762 V CA 2.406 64.805 62.300 0.165 0.000 1.038 762 V CB -1.022 30.914 31.823 0.189 0.000 0.651 762 V HN 0.499 nan 8.190 nan 0.000 0.450 763 N N -0.124 118.685 118.700 0.182 0.000 2.142 763 N HA -0.193 4.545 4.740 -0.003 0.000 0.186 763 N C 1.843 177.504 175.510 0.252 0.000 1.023 763 N CA 1.676 54.879 53.050 0.256 0.000 0.852 763 N CB -0.273 38.376 38.487 0.269 0.000 0.998 763 N HN 0.336 nan 8.380 nan 0.000 0.424 764 M N 0.303 120.032 119.600 0.215 0.000 2.086 764 M HA -0.088 4.390 4.480 -0.003 0.000 0.261 764 M C 1.754 178.084 176.300 0.049 0.000 1.067 764 M CA 1.332 56.754 55.300 0.204 0.000 1.116 764 M CB -0.728 31.980 32.600 0.181 0.000 1.348 764 M HN 0.280 nan 8.290 nan 0.000 0.407 765 L N -0.021 121.179 121.223 -0.039 0.000 2.042 765 L HA -0.281 4.058 4.340 -0.003 0.000 0.210 765 L C 2.602 179.185 176.870 -0.479 0.000 1.076 765 L CA 1.157 55.825 54.840 -0.285 0.000 0.749 765 L CB -0.652 41.271 42.059 -0.227 0.000 0.893 765 L HN 0.336 nan 8.230 nan 0.000 0.432 766 M N -1.637 117.758 119.600 -0.341 0.000 2.288 766 M HA -0.077 4.401 4.480 -0.003 0.000 0.266 766 M C 1.817 177.668 176.300 -0.749 0.000 1.072 766 M CA 1.668 56.633 55.300 -0.558 0.000 1.132 766 M CB -0.725 31.454 32.600 -0.702 0.000 1.386 766 M HN 0.336 nan 8.290 nan 0.000 0.432 767 H N -2.864 116.066 119.070 -0.233 0.000 3.400 767 H HA 0.234 4.788 4.556 -0.003 0.000 0.251 767 H C 0.192 175.120 175.328 -0.667 0.000 1.040 767 H CA 0.429 56.188 56.048 -0.481 0.000 1.175 767 H CB 0.445 29.828 29.762 -0.633 0.000 1.487 767 H HN 0.496 nan 8.280 nan 0.000 0.505 768 H N 0.168 119.299 119.070 0.102 0.000 2.767 768 H HA 0.147 4.702 4.556 -0.003 0.000 0.235 768 H C -0.716 174.640 175.328 0.047 0.000 1.256 768 H CA -0.312 55.783 56.048 0.079 0.000 0.957 768 H CB 0.899 30.713 29.762 0.087 0.000 2.117 768 H HN -0.011 nan 8.280 nan 0.000 0.602 769 D N 0.999 121.458 120.400 0.098 0.000 2.411 769 D HA 0.110 4.748 4.640 -0.003 0.000 0.225 769 D C 0.961 177.211 176.300 -0.084 0.000 1.156 769 D CA -0.266 53.759 54.000 0.042 0.000 0.874 769 D CB 0.627 41.432 40.800 0.008 0.000 1.034 769 D HN 0.292 nan 8.370 nan 0.000 0.502 770 R N 2.320 122.665 120.500 -0.258 0.000 2.280 770 R HA -0.013 4.325 4.340 -0.003 0.000 0.207 770 R C 0.493 176.288 176.300 -0.842 0.000 1.043 770 R CA 0.806 56.531 56.100 -0.625 0.000 1.006 770 R CB 0.160 29.872 30.300 -0.979 0.000 0.885 770 R HN 0.416 nan 8.270 nan 0.000 0.467 771 F N 0.011 119.905 119.950 -0.093 0.000 2.688 771 F HA 0.279 4.805 4.527 -0.003 0.000 0.310 771 F C 0.053 175.720 175.800 -0.221 0.000 1.098 771 F CA -0.715 57.221 58.000 -0.106 0.000 1.228 771 F CB 0.330 39.330 39.000 0.000 0.000 1.042 771 F HN -0.260 nan 8.300 nan 0.000 0.557 772 K N -0.210 119.979 120.400 -0.351 0.000 3.148 772 K HA -0.174 4.145 4.320 -0.003 0.000 0.267 772 K C 0.976 177.437 176.600 -0.232 0.000 0.996 772 K CA 0.212 56.086 56.287 -0.690 0.000 0.737 772 K CB -1.851 30.192 32.500 -0.763 0.000 1.308 772 K HN 0.204 nan 8.250 nan 0.000 0.470 773 V N -0.024 119.846 119.914 -0.072 0.000 2.252 773 V HA -0.298 3.820 4.120 -0.003 0.000 0.249 773 V C 1.950 178.194 176.094 0.251 0.000 1.056 773 V CA 2.381 64.732 62.300 0.086 0.000 1.022 773 V CB -0.508 31.381 31.823 0.110 0.000 0.641 773 V HN 0.491 nan 8.190 nan 0.000 0.445 774 F N 0.236 120.197 119.950 0.018 0.000 2.216 774 F HA -0.188 4.337 4.527 -0.003 0.000 0.300 774 F C 2.494 178.115 175.800 -0.298 0.000 1.085 774 F CA 0.630 58.597 58.000 -0.056 0.000 1.326 774 F CB -0.359 38.626 39.000 -0.026 0.000 1.027 774 F HN 0.204 nan 8.300 nan 0.000 0.497 775 A N -0.660 122.005 122.820 -0.258 0.000 2.067 775 A HA -0.172 4.146 4.320 -0.003 0.000 0.219 775 A C 1.351 178.934 177.584 -0.001 0.000 1.158 775 A CA 1.695 53.487 52.037 -0.408 0.000 0.661 775 A CB -0.390 18.488 19.000 -0.203 0.000 0.801 775 A HN 0.224 nan 8.150 nan 0.000 0.452 776 D N -2.889 117.573 120.400 0.103 0.000 2.398 776 D HA 0.104 4.742 4.640 -0.003 0.000 0.210 776 D C 1.064 177.534 176.300 0.282 0.000 1.094 776 D CA -0.131 54.002 54.000 0.223 0.000 0.839 776 D CB -0.107 40.838 40.800 0.242 0.000 0.963 776 D HN 0.579 nan 8.370 nan 0.000 0.506 777 Y N 2.102 122.489 120.300 0.146 0.000 2.097 777 Y HA -0.212 4.336 4.550 -0.002 0.000 0.282 777 Y C 2.044 178.025 175.900 0.134 0.000 1.152 777 Y CA 1.882 60.075 58.100 0.154 0.000 1.136 777 Y CB 0.265 38.782 38.460 0.095 0.000 0.975 777 Y HN -0.108 nan 8.280 nan 0.000 0.498 778 E N -0.071 120.189 120.200 0.101 0.000 2.051 778 E HA -0.217 4.131 4.350 -0.003 0.000 0.192 778 E C 2.155 178.723 176.600 -0.053 0.000 0.991 778 E CA 1.400 57.784 56.400 -0.026 0.000 0.799 778 E CB -0.166 29.617 29.700 0.138 0.000 0.748 778 E HN 0.616 nan 8.360 nan 0.000 0.449 779 E N 0.124 120.368 120.200 0.075 0.000 2.077 779 E HA -0.209 4.139 4.350 -0.003 0.000 0.193 779 E C 1.986 178.575 176.600 -0.018 0.000 0.989 779 E CA 0.878 57.344 56.400 0.109 0.000 0.800 779 E CB -0.213 29.644 29.700 0.263 0.000 0.746 779 E HN 0.280 nan 8.360 nan 0.000 0.452 780 Y N 1.628 121.740 120.300 -0.314 0.000 2.145 780 Y HA -0.231 4.317 4.550 -0.003 0.000 0.286 780 Y C 2.235 177.730 175.900 -0.674 0.000 1.145 780 Y CA 0.991 58.573 58.100 -0.862 0.000 1.148 780 Y CB -0.515 37.508 38.460 -0.729 0.000 0.981 780 Y HN -0.213 nan 8.280 nan 0.000 0.507 781 V N 0.502 120.059 119.914 -0.594 0.000 2.343 781 V HA -0.323 3.795 4.120 -0.003 0.000 0.247 781 V C 2.275 178.135 176.094 -0.389 0.000 1.051 781 V CA 2.383 64.344 62.300 -0.564 0.000 1.036 781 V CB -0.610 30.904 31.823 -0.514 0.000 0.654 781 V HN 0.305 nan 8.190 nan 0.000 0.451 782 K N -0.816 119.425 120.400 -0.265 0.000 2.026 782 K HA -0.200 4.119 4.320 -0.003 0.000 0.208 782 K C 2.299 178.815 176.600 -0.139 0.000 1.048 782 K CA 1.719 57.919 56.287 -0.145 0.000 0.929 782 K CB -0.661 31.802 32.500 -0.062 0.000 0.713 782 K HN 0.509 nan 8.250 nan 0.000 0.439 783 C N 1.435 120.629 119.300 -0.176 0.000 2.425 783 C HA -0.110 4.349 4.460 -0.003 0.000 0.277 783 C C 2.627 177.474 174.990 -0.240 0.000 1.280 783 C CA 0.874 59.828 59.018 -0.105 0.000 1.744 783 C CB -0.660 27.033 27.740 -0.079 0.000 1.989 783 C HN 0.429 nan 8.230 nan 0.000 0.491 784 Q N 0.357 119.855 119.800 -0.503 0.000 2.167 784 Q HA -0.157 4.181 4.340 -0.003 0.000 0.202 784 Q C 2.006 177.823 176.000 -0.305 0.000 0.970 784 Q CA 1.547 57.007 55.803 -0.572 0.000 0.855 784 Q CB -0.392 27.718 28.738 -1.046 0.000 0.911 784 Q HN 0.758 nan 8.270 nan 0.000 0.438 785 E N 0.303 120.380 120.200 -0.205 0.000 2.077 785 E HA -0.161 4.187 4.350 -0.003 0.000 0.193 785 E C 2.070 178.647 176.600 -0.039 0.000 0.989 785 E CA 0.749 57.090 56.400 -0.098 0.000 0.800 785 E CB -0.031 29.628 29.700 -0.069 0.000 0.746 785 E HN 0.268 nan 8.360 nan 0.000 0.452 786 R N 0.408 120.905 120.500 -0.004 0.000 2.115 786 R HA -0.071 4.267 4.340 -0.003 0.000 0.230 786 R C 2.429 178.830 176.300 0.168 0.000 1.111 786 R CA 0.851 57.035 56.100 0.140 0.000 0.976 786 R CB -0.322 30.127 30.300 0.248 0.000 0.870 786 R HN 0.066 nan 8.270 nan 0.000 0.445 787 V N 0.783 120.582 119.914 -0.191 0.000 2.287 787 V HA -0.262 3.856 4.120 -0.003 0.000 0.248 787 V C 2.208 178.298 176.094 -0.006 0.000 1.053 787 V CA 2.055 64.098 62.300 -0.428 0.000 1.027 787 V CB -0.416 31.017 31.823 -0.651 0.000 0.646 787 V HN 0.285 nan 8.190 nan 0.000 0.447 788 S N 0.005 115.669 115.700 -0.059 0.000 2.368 788 S HA -0.146 4.322 4.470 -0.003 0.000 0.225 788 S C 2.222 176.885 174.600 0.104 0.000 1.030 788 S CA 1.334 59.524 58.200 -0.017 0.000 0.999 788 S CB -0.500 62.655 63.200 -0.076 0.000 0.844 788 S HN 0.653 nan 8.310 nan 0.000 0.459 789 A N 1.269 124.160 122.820 0.117 0.000 1.908 789 A HA -0.080 4.238 4.320 -0.003 0.000 0.218 789 A C 2.120 179.831 177.584 0.211 0.000 1.181 789 A CA 1.441 53.568 52.037 0.150 0.000 0.627 789 A CB -0.692 18.387 19.000 0.131 0.000 0.818 789 A HN 0.423 nan 8.150 nan 0.000 0.445 790 L N -2.106 119.307 121.223 0.316 0.000 2.109 790 L HA -0.058 4.280 4.340 -0.003 0.000 0.207 790 L C 2.248 179.393 176.870 0.458 0.000 1.086 790 L CA 1.883 56.974 54.840 0.418 0.000 0.760 790 L CB -0.777 41.636 42.059 0.590 0.000 0.910 790 L HN 0.497 nan 8.230 nan 0.000 0.437 791 Y N 0.379 120.824 120.300 0.241 0.000 2.274 791 Y HA -0.247 4.302 4.550 -0.001 0.000 0.290 791 Y C 2.304 178.154 175.900 -0.084 0.000 1.145 791 Y CA 1.693 59.688 58.100 -0.175 0.000 1.203 791 Y CB -0.071 38.057 38.460 -0.553 0.000 0.984 791 Y HN 0.177 nan 8.280 nan 0.000 0.533 792 K N -0.199 120.280 120.400 0.133 0.000 2.360 792 K HA -0.159 4.159 4.320 -0.003 0.000 0.201 792 K C 0.402 177.015 176.600 0.022 0.000 1.046 792 K CA 0.818 57.164 56.287 0.098 0.000 0.945 792 K CB -0.153 32.437 32.500 0.150 0.000 0.750 792 K HN 0.085 nan 8.250 nan 0.000 0.464 793 N N 0.643 119.366 118.700 0.038 0.000 2.816 793 N HA 0.120 4.859 4.740 -0.003 0.000 0.236 793 N C -2.404 173.115 175.510 0.016 0.000 1.076 793 N CA -2.168 50.901 53.050 0.031 0.000 0.902 793 N CB 1.267 39.799 38.487 0.076 0.000 1.149 793 N HN -0.188 nan 8.380 nan 0.000 0.506 794 P HA -0.159 nan 4.420 nan 0.000 0.216 794 P C 1.410 178.720 177.300 0.016 0.000 1.153 794 P CA 1.101 64.137 63.100 -0.107 0.000 0.858 794 P CB 0.404 32.014 31.700 -0.149 0.000 0.789 795 R N 0.153 120.662 120.500 0.015 0.000 2.083 795 R HA -0.174 4.164 4.340 -0.003 0.000 0.237 795 R C 1.963 178.299 176.300 0.061 0.000 1.137 795 R CA 1.585 57.704 56.100 0.031 0.000 0.951 795 R CB -0.458 29.854 30.300 0.020 0.000 0.851 795 R HN 0.058 nan 8.270 nan 0.000 0.434 796 E N 0.002 120.248 120.200 0.076 0.000 2.152 796 E HA -0.214 4.134 4.350 -0.003 0.000 0.192 796 E C 1.570 178.236 176.600 0.110 0.000 0.983 796 E CA 0.657 57.104 56.400 0.079 0.000 0.818 796 E CB -0.498 29.248 29.700 0.077 0.000 0.758 796 E HN 0.518 nan 8.360 nan 0.000 0.467 797 W N 2.155 123.442 121.300 -0.022 0.000 2.317 797 W HA -0.230 4.428 4.660 -0.004 0.000 0.318 797 W C 1.683 178.193 176.519 -0.014 0.000 1.227 797 W CA 2.301 59.639 57.345 -0.011 0.000 1.269 797 W CB -0.486 28.915 29.460 -0.098 0.000 1.155 797 W HN 0.053 nan 8.180 nan 0.000 0.484 798 T N 1.105 115.765 114.554 0.176 0.000 2.788 798 T HA -0.189 4.159 4.350 -0.003 0.000 0.268 798 T C 1.864 176.562 174.700 -0.003 0.000 1.044 798 T CA 1.785 63.927 62.100 0.071 0.000 1.139 798 T CB -0.343 68.563 68.868 0.063 0.000 0.867 798 T HN 0.185 nan 8.240 nan 0.000 0.454 799 R N 0.407 120.914 120.500 0.012 0.000 2.081 799 R HA 0.070 4.408 4.340 -0.003 0.000 0.235 799 R C 2.525 178.809 176.300 -0.026 0.000 1.131 799 R CA 1.268 57.377 56.100 0.015 0.000 0.960 799 R CB -0.362 29.954 30.300 0.026 0.000 0.856 799 R HN 0.372 nan 8.270 nan 0.000 0.436 800 M N 0.547 120.092 119.600 -0.091 0.000 2.175 800 M HA -0.137 4.341 4.480 -0.003 0.000 0.264 800 M C 1.928 178.119 176.300 -0.182 0.000 1.063 800 M CA 1.341 56.548 55.300 -0.155 0.000 1.119 800 M CB 0.179 32.632 32.600 -0.245 0.000 1.377 800 M HN -0.022 nan 8.290 nan 0.000 0.415 801 V N 0.894 120.677 119.914 -0.219 0.000 2.295 801 V HA -0.310 3.808 4.120 -0.003 0.000 0.246 801 V C 2.212 178.277 176.094 -0.047 0.000 1.049 801 V CA 2.012 64.213 62.300 -0.166 0.000 1.024 801 V CB -0.603 31.139 31.823 -0.135 0.000 0.648 801 V HN 0.508 nan 8.190 nan 0.000 0.447 802 I N -0.353 120.220 120.570 0.004 0.000 2.208 802 I HA -0.292 3.877 4.170 -0.003 0.000 0.245 802 I C 2.673 178.843 176.117 0.089 0.000 1.097 802 I CA 1.705 63.068 61.300 0.104 0.000 1.363 802 I CB -0.465 37.650 38.000 0.192 0.000 1.051 802 I HN 0.233 nan 8.210 nan 0.000 0.413 803 R N 0.457 120.983 120.500 0.043 0.000 2.152 803 R HA -0.115 4.223 4.340 -0.003 0.000 0.232 803 R C 1.979 178.316 176.300 0.061 0.000 1.117 803 R CA 1.092 57.217 56.100 0.042 0.000 0.981 803 R CB -0.453 29.857 30.300 0.016 0.000 0.870 803 R HN 0.547 nan 8.270 nan 0.000 0.451 804 N N 0.679 119.401 118.700 0.035 0.000 2.132 804 N HA -0.040 4.698 4.740 -0.003 0.000 0.187 804 N C 1.963 177.533 175.510 0.100 0.000 1.038 804 N CA 1.006 54.096 53.050 0.067 0.000 0.846 804 N CB -0.004 38.456 38.487 -0.046 0.000 1.012 804 N HN 0.081 nan 8.380 nan 0.000 0.429 805 I N 1.819 122.434 120.570 0.074 0.000 2.194 805 I HA -0.264 3.904 4.170 -0.003 0.000 0.246 805 I C 2.443 178.619 176.117 0.098 0.000 1.093 805 I CA 1.081 62.434 61.300 0.089 0.000 1.355 805 I CB -0.351 37.697 38.000 0.080 0.000 1.046 805 I HN 0.100 nan 8.210 nan 0.000 0.413 806 A N 0.257 123.135 122.820 0.096 0.000 2.070 806 A HA -0.163 4.155 4.320 -0.003 0.000 0.220 806 A C 2.078 179.706 177.584 0.073 0.000 1.159 806 A CA 2.086 54.169 52.037 0.077 0.000 0.656 806 A CB -0.855 18.189 19.000 0.073 0.000 0.800 806 A HN 0.553 nan 8.150 nan 0.000 0.453 807 T N -3.223 111.394 114.554 0.105 0.000 3.132 807 T HA 0.182 4.531 4.350 -0.003 0.000 0.274 807 T C 1.195 176.008 174.700 0.188 0.000 1.011 807 T CA 0.628 62.797 62.100 0.115 0.000 0.899 807 T CB -0.153 68.786 68.868 0.119 0.000 1.089 807 T HN 0.487 nan 8.240 nan 0.000 0.543 808 S N 0.414 116.240 115.700 0.211 0.000 2.562 808 S HA 0.207 4.676 4.470 -0.003 0.000 0.221 808 S C 2.236 176.988 174.600 0.254 0.000 0.975 808 S CA 0.393 58.794 58.200 0.335 0.000 0.918 808 S CB -0.762 62.592 63.200 0.257 0.000 0.772 808 S HN 0.532 nan 8.310 nan 0.000 0.531 809 G N 2.633 111.495 108.800 0.104 0.000 2.469 809 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.219 809 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.219 809 G C 1.326 176.182 174.900 -0.072 0.000 1.150 809 G CA 1.070 46.192 45.100 0.037 0.000 0.763 809 G HN 0.612 nan 8.290 nan 0.000 0.561 810 K N -0.159 120.074 120.400 -0.278 0.000 2.218 810 K HA -0.074 4.245 4.320 -0.003 0.000 0.205 810 K C 1.293 177.560 176.600 -0.553 0.000 1.046 810 K CA 0.943 56.907 56.287 -0.539 0.000 0.933 810 K CB -0.277 31.683 32.500 -0.901 0.000 0.728 810 K HN 0.428 nan 8.250 nan 0.000 0.454 811 F N 0.735 120.720 119.950 0.059 0.000 2.664 811 F HA 0.154 4.679 4.527 -0.004 0.000 0.301 811 F C 0.773 176.623 175.800 0.084 0.000 1.126 811 F CA -0.625 57.416 58.000 0.069 0.000 1.373 811 F CB 0.454 39.492 39.000 0.063 0.000 1.042 811 F HN -0.133 nan 8.300 nan 0.000 0.535 812 S N 0.460 116.250 115.700 0.151 0.000 2.531 812 S HA 0.038 4.506 4.470 -0.003 0.000 0.279 812 S C 1.511 176.199 174.600 0.147 0.000 1.305 812 S CA -0.070 58.214 58.200 0.141 0.000 1.058 812 S CB 0.724 63.977 63.200 0.089 0.000 0.899 812 S HN 0.392 nan 8.310 nan 0.000 0.493 813 S N 3.377 119.189 115.700 0.188 0.000 2.469 813 S HA -0.098 4.370 4.470 -0.003 0.000 0.238 813 S C 1.005 175.672 174.600 0.111 0.000 0.998 813 S CA 0.881 59.215 58.200 0.224 0.000 0.957 813 S CB -0.364 63.032 63.200 0.326 0.000 0.764 813 S HN 0.793 nan 8.310 nan 0.000 0.514 814 D N 1.886 122.333 120.400 0.077 0.000 2.117 814 D HA -0.091 4.547 4.640 -0.003 0.000 0.197 814 D C 2.110 178.419 176.300 0.016 0.000 0.987 814 D CA 0.856 54.877 54.000 0.036 0.000 0.829 814 D CB -0.359 40.460 40.800 0.031 0.000 0.961 814 D HN 0.302 nan 8.370 nan 0.000 0.460 815 R N 0.780 121.291 120.500 0.020 0.000 2.073 815 R HA -0.089 4.249 4.340 -0.003 0.000 0.234 815 R C 1.906 178.201 176.300 -0.009 0.000 1.134 815 R CA 1.422 57.518 56.100 -0.007 0.000 0.952 815 R CB -0.784 29.498 30.300 -0.030 0.000 0.850 815 R HN 0.134 nan 8.270 nan 0.000 0.433 816 T N 2.230 116.805 114.554 0.034 0.000 2.652 816 T HA -0.126 4.222 4.350 -0.003 0.000 0.267 816 T C 1.945 176.649 174.700 0.007 0.000 1.039 816 T CA 1.377 63.517 62.100 0.067 0.000 1.153 816 T CB -0.146 68.857 68.868 0.225 0.000 0.863 816 T HN 0.097 nan 8.240 nan 0.000 0.428 817 I N 1.692 122.194 120.570 -0.113 0.000 2.226 817 I HA -0.115 4.053 4.170 -0.003 0.000 0.245 817 I C 2.925 178.992 176.117 -0.084 0.000 1.100 817 I CA 1.040 62.225 61.300 -0.193 0.000 1.374 817 I CB -1.613 36.270 38.000 -0.196 0.000 1.057 817 I HN 0.199 nan 8.210 nan 0.000 0.413 818 A N 0.119 122.913 122.820 -0.044 0.000 1.940 818 A HA -0.250 4.069 4.320 -0.003 0.000 0.219 818 A C 2.252 179.791 177.584 -0.075 0.000 1.176 818 A CA 1.514 53.532 52.037 -0.030 0.000 0.631 818 A CB -0.587 18.403 19.000 -0.017 0.000 0.814 818 A HN 0.510 nan 8.150 nan 0.000 0.446 819 Q N -1.758 117.977 119.800 -0.109 0.000 2.050 819 Q HA -0.198 4.140 4.340 -0.003 0.000 0.202 819 Q C 1.993 177.811 176.000 -0.304 0.000 0.980 819 Q CA 1.799 57.495 55.803 -0.178 0.000 0.840 819 Q CB -0.352 28.273 28.738 -0.190 0.000 0.898 819 Q HN 0.817 nan 8.270 nan 0.000 0.424 820 Y N 0.548 120.551 120.300 -0.496 0.000 2.114 820 Y HA -0.320 4.228 4.550 -0.003 0.000 0.282 820 Y C 2.470 177.775 175.900 -0.991 0.000 1.165 820 Y CA 1.407 58.942 58.100 -0.940 0.000 1.148 820 Y CB -0.483 37.094 38.460 -1.471 0.000 0.972 820 Y HN 0.179 nan 8.280 nan 0.000 0.504 821 A N 0.143 122.730 122.820 -0.389 0.000 1.877 821 A HA -0.215 4.103 4.320 -0.003 0.000 0.216 821 A C 2.234 179.837 177.584 0.031 0.000 1.186 821 A CA 2.026 54.092 52.037 0.048 0.000 0.620 821 A CB -0.535 18.569 19.000 0.172 0.000 0.822 821 A HN 0.440 nan 8.150 nan 0.000 0.443 822 R N -0.772 119.703 120.500 -0.041 0.000 2.093 822 R HA 0.003 4.341 4.340 -0.003 0.000 0.224 822 R C 1.851 178.129 176.300 -0.038 0.000 1.101 822 R CA 1.391 57.479 56.100 -0.020 0.000 0.979 822 R CB -0.148 30.136 30.300 -0.028 0.000 0.877 822 R HN 0.636 nan 8.270 nan 0.000 0.441 823 E N -0.424 119.712 120.200 -0.108 0.000 2.400 823 E HA 0.086 4.434 4.350 -0.003 0.000 0.195 823 E C 1.367 177.920 176.600 -0.079 0.000 1.012 823 E CA 0.510 56.849 56.400 -0.100 0.000 0.875 823 E CB 0.534 30.144 29.700 -0.150 0.000 0.859 823 E HN 0.285 nan 8.360 nan 0.000 0.498 824 I N -1.325 119.169 120.570 -0.128 0.000 3.739 824 I HA 0.016 4.184 4.170 -0.003 0.000 0.272 824 I C 1.262 177.527 176.117 0.246 0.000 1.167 824 I CA -0.121 61.172 61.300 -0.012 0.000 1.386 824 I CB 0.234 38.095 38.000 -0.232 0.000 1.490 824 I HN 0.104 nan 8.210 nan 0.000 0.452 825 W N 1.601 122.998 121.300 0.162 0.000 2.584 825 W HA 0.295 4.954 4.660 -0.003 0.000 0.264 825 W C 1.556 178.117 176.519 0.070 0.000 1.264 825 W CA 0.897 58.322 57.345 0.132 0.000 1.306 825 W CB -1.149 28.378 29.460 0.112 0.000 1.110 825 W HN 0.336 nan 8.180 nan 0.000 0.606 826 G N 1.035 109.976 108.800 0.236 0.000 2.225 826 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.264 826 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.264 826 G C -0.259 174.717 174.900 0.127 0.000 1.060 826 G CA 0.256 45.436 45.100 0.133 0.000 0.833 826 G HN 0.394 nan 8.290 nan 0.000 0.498 827 V N -3.318 116.694 119.914 0.163 0.000 2.823 827 V HA 0.919 5.037 4.120 -0.003 0.000 0.312 827 V C -0.235 175.923 176.094 0.107 0.000 1.072 827 V CA -1.453 60.924 62.300 0.128 0.000 0.937 827 V CB 2.241 34.150 31.823 0.143 0.000 1.013 827 V HN 0.407 nan 8.190 nan 0.000 0.430 828 E N 5.072 125.318 120.200 0.077 0.000 2.115 828 E HA 0.585 4.933 4.350 -0.003 0.000 0.282 828 E C -2.399 174.242 176.600 0.068 0.000 0.987 828 E CA -2.030 54.408 56.400 0.063 0.000 0.797 828 E CB 1.254 30.983 29.700 0.047 0.000 1.086 828 E HN 0.778 nan 8.360 nan 0.000 0.397 829 P HA 0.131 nan 4.420 nan 0.000 0.272 829 P C -0.935 176.400 177.300 0.057 0.000 1.223 829 P CA -0.445 62.695 63.100 0.067 0.000 0.784 829 P CB 1.231 32.965 31.700 0.057 0.000 0.923 830 S N 0.821 116.558 115.700 0.062 0.000 2.614 830 S HA 0.306 4.774 4.470 -0.003 0.000 0.275 830 S C 0.323 174.954 174.600 0.053 0.000 1.161 830 S CA -0.766 57.468 58.200 0.056 0.000 0.969 830 S CB 0.858 64.098 63.200 0.066 0.000 1.059 830 S HN 0.335 nan 8.310 nan 0.000 0.482 831 R N 1.781 122.307 120.500 0.042 0.000 2.356 831 R HA 0.133 4.471 4.340 -0.003 0.000 0.234 831 R C 0.213 176.530 176.300 0.028 0.000 0.929 831 R CA -0.187 55.937 56.100 0.040 0.000 1.084 831 R CB 0.089 30.413 30.300 0.041 0.000 1.105 831 R HN 0.561 nan 8.270 nan 0.000 0.515 832 Q N 2.170 121.986 119.800 0.026 0.000 2.300 832 Q HA -0.027 4.312 4.340 -0.003 0.000 0.280 832 Q C -0.298 175.697 176.000 -0.007 0.000 1.033 832 Q CA 0.328 56.138 55.803 0.012 0.000 0.903 832 Q CB 0.537 29.287 28.738 0.020 0.000 1.195 832 Q HN 0.033 nan 8.270 nan 0.000 0.386 833 R N 3.327 123.814 120.500 -0.021 0.000 2.543 833 R HA 0.166 4.504 4.340 -0.003 0.000 0.277 833 R C -0.735 175.524 176.300 -0.069 0.000 1.074 833 R CA -0.527 55.547 56.100 -0.044 0.000 1.076 833 R CB 0.337 30.611 30.300 -0.043 0.000 0.993 833 R HN 0.583 nan 8.270 nan 0.000 0.459 834 L N 6.513 127.676 121.223 -0.099 0.000 2.417 834 L HA 0.310 4.648 4.340 -0.003 0.000 0.268 834 L C -1.740 175.071 176.870 -0.098 0.000 1.158 834 L CA -1.616 53.136 54.840 -0.146 0.000 0.819 834 L CB 0.500 42.440 42.059 -0.197 0.000 1.112 834 L HN 0.673 nan 8.230 nan 0.000 0.458 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.067 63.100 -0.055 0.000 0.800 835 P CB 0.000 31.672 31.700 -0.046 0.000 0.726