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 1h1l_1_D DATA FIRST_RESID 1 DATA SEQUENCE SQTIDKINSC YPLFEQDEYQ ELFRNKRQLE EAHDAQRVQE VFAWTTTAEY DATA SEQUENCE EALNFRREAL TVDPAKACQP LGAVLCSLGF ANTLPYVHGS QGCVAYFRTY DATA SEQUENCE FNRHFKEPIA CVSDSMTEDA AVFGGNNNMN LGLQNASALY KPEIIAVSTT DATA SEQUENCE CMAEVIGDDL QAFIANAKKD GFVDSSIAVP HAHTPSFIGS HVTGWDNMFE DATA SEQUENCE GFAKTFTADY QGQPGKLPKL NLVTGFETYL GNFRVLKRMM EQMAVPCSLL DATA SEQUENCE SDPSEVLDTP ADGHYRMYSG GTTQQEMKEA PDAIDTLLLQ PWQLLKSKKV DATA SEQUENCE VQEMWNQPAT EVAIPLGLAA TDELLMTVSQ LSGKPIADAL TLERGRLVDM DATA SEQUENCE MLDSHTWLHG KKFGLYGDPD FVMGLTRFLL ELGCEPTVIL SHNANKRWQK DATA SEQUENCE AMNKMLDASP YGRDSEVFIN CDLWHFRSLM FTRQPDFMIG NSYGKFIQRD DATA SEQUENCE TLAKGKAFEV PLIRLGFPLF DRHHLHRQTT WGYEGAMNIV TTLVNAVLEK DATA SEQUENCE LDSDTSQLGK TDYSFDLVR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.606 174.600 0.010 0.000 1.055 1 S CA 0.000 58.201 58.200 0.001 0.000 1.107 1 S CB 0.000 63.184 63.200 -0.028 0.000 0.593 2 Q N 0.630 120.429 119.800 -0.003 0.000 2.423 2 Q HA 0.678 5.018 4.340 -0.000 0.000 0.278 2 Q C -0.956 175.034 176.000 -0.016 0.000 1.097 2 Q CA -0.654 55.140 55.803 -0.015 0.000 0.809 2 Q CB 2.457 31.186 28.738 -0.015 0.000 1.391 2 Q HN 0.766 nan 8.270 nan 0.000 0.428 3 T N 1.167 115.709 114.554 -0.020 0.000 2.945 3 T HA 0.255 4.605 4.350 -0.000 0.000 0.286 3 T C 1.138 175.829 174.700 -0.015 0.000 1.025 3 T CA -0.408 61.682 62.100 -0.017 0.000 1.039 3 T CB 0.827 69.684 68.868 -0.018 0.000 1.068 3 T HN 0.508 nan 8.240 nan 0.000 0.497 4 I N 2.317 122.880 120.570 -0.012 0.000 2.493 4 I HA 0.022 4.192 4.170 -0.000 0.000 0.254 4 I C 1.863 177.974 176.117 -0.011 0.000 1.160 4 I CA 2.010 63.303 61.300 -0.011 0.000 1.445 4 I CB -0.511 37.484 38.000 -0.008 0.000 1.086 4 I HN 0.854 nan 8.210 nan 0.000 0.433 5 D N -0.037 120.356 120.400 -0.012 0.000 2.340 5 D HA 0.503 5.143 4.640 -0.000 0.000 0.217 5 D C 1.076 177.367 176.300 -0.015 0.000 1.081 5 D CA 0.644 54.638 54.000 -0.012 0.000 0.842 5 D CB -0.387 40.407 40.800 -0.010 0.000 0.934 5 D HN 0.430 nan 8.370 nan 0.000 0.511 6 K N 0.721 121.110 120.400 -0.020 0.000 3.098 6 K HA 0.550 4.870 4.320 -0.000 0.000 0.204 6 K C -0.433 176.146 176.600 -0.034 0.000 1.210 6 K CA -0.546 55.725 56.287 -0.026 0.000 0.899 6 K CB -0.769 31.715 32.500 -0.027 0.000 1.176 6 K HN 0.414 nan 8.250 nan 0.000 0.585 7 I N 2.343 122.893 120.570 -0.033 0.000 2.452 7 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 7 I C -0.117 175.965 176.117 -0.059 0.000 1.079 7 I CA -0.681 60.594 61.300 -0.041 0.000 1.387 7 I CB 0.936 38.917 38.000 -0.030 0.000 1.404 7 I HN 0.467 nan 8.210 nan 0.000 0.522 8 N N 4.926 123.574 118.700 -0.086 0.000 2.421 8 N HA 0.322 5.062 4.740 -0.000 0.000 0.285 8 N C -0.463 174.959 175.510 -0.145 0.000 1.027 8 N CA -0.313 52.662 53.050 -0.124 0.000 0.918 8 N CB 1.860 40.249 38.487 -0.164 0.000 1.152 8 N HN 0.485 nan 8.380 nan 0.000 0.485 9 S N 0.301 115.929 115.700 -0.121 0.000 2.661 9 S HA 0.090 4.560 4.470 -0.000 0.000 0.265 9 S C 1.887 176.366 174.600 -0.202 0.000 1.225 9 S CA -0.792 57.340 58.200 -0.113 0.000 0.986 9 S CB 0.447 63.627 63.200 -0.033 0.000 1.008 9 S HN 0.799 nan 8.310 nan 0.000 0.565 10 C N -0.318 118.879 119.300 -0.171 0.000 2.304 10 C HA -0.216 4.244 4.460 -0.000 0.000 0.269 10 C C 1.241 176.162 174.990 -0.116 0.000 1.136 10 C CA 0.674 59.571 59.018 -0.202 0.000 1.796 10 C CB -1.641 26.208 27.740 0.182 0.000 2.017 10 C HN 0.728 nan 8.230 nan 0.000 0.431 11 Y N 5.062 125.346 120.300 -0.028 0.000 2.367 11 Y HA 0.501 5.051 4.550 -0.000 0.000 0.342 11 Y C -1.867 174.007 175.900 -0.042 0.000 0.979 11 Y CA -2.413 55.682 58.100 -0.007 0.000 1.161 11 Y CB 1.124 39.609 38.460 0.041 0.000 1.155 11 Y HN 0.272 nan 8.280 nan 0.000 0.503 12 P HA 0.046 nan 4.420 nan 0.000 0.274 12 P C 0.838 177.874 177.300 -0.440 0.000 1.673 12 P CA 0.029 62.568 63.100 -0.935 0.000 1.193 12 P CB 0.492 31.614 31.700 -0.965 0.000 1.571 13 L N 0.224 121.190 121.223 -0.428 0.000 2.043 13 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 13 L C 1.658 178.266 176.870 -0.437 0.000 1.075 13 L CA 2.213 56.761 54.840 -0.486 0.000 0.752 13 L CB -1.183 40.412 42.059 -0.774 0.000 0.891 13 L HN -0.150 nan 8.230 nan 0.000 0.432 14 F N -0.390 119.474 119.950 -0.144 0.000 2.748 14 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 14 F C 2.214 178.104 175.800 0.150 0.000 1.154 14 F CA 0.230 58.189 58.000 -0.068 0.000 1.446 14 F CB -0.577 38.473 39.000 0.084 0.000 1.112 14 F HN 0.153 nan 8.300 nan 0.000 0.584 15 E N 0.195 120.505 120.200 0.182 0.000 2.358 15 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 15 E C 0.749 177.425 176.600 0.127 0.000 1.010 15 E CA 0.258 56.752 56.400 0.156 0.000 0.856 15 E CB -0.271 29.451 29.700 0.038 0.000 0.795 15 E HN 0.489 nan 8.360 nan 0.000 0.504 16 Q N 0.906 120.780 119.800 0.123 0.000 2.474 16 Q HA -0.053 4.287 4.340 -0.000 0.000 0.256 16 Q C 0.707 176.763 176.000 0.093 0.000 1.048 16 Q CA -0.092 55.770 55.803 0.099 0.000 0.922 16 Q CB 0.571 29.375 28.738 0.110 0.000 1.288 16 Q HN -0.006 nan 8.270 nan 0.000 0.484 17 D N 1.347 121.766 120.400 0.031 0.000 2.123 17 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 17 D C 1.725 177.997 176.300 -0.046 0.000 0.992 17 D CA 1.475 55.477 54.000 0.003 0.000 0.833 17 D CB -0.019 40.775 40.800 -0.011 0.000 0.954 17 D HN 0.657 nan 8.370 nan 0.000 0.455 18 E N 0.339 120.475 120.200 -0.107 0.000 2.077 18 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 18 E C 1.878 178.277 176.600 -0.335 0.000 0.989 18 E CA 1.011 57.269 56.400 -0.236 0.000 0.800 18 E CB -0.818 28.680 29.700 -0.336 0.000 0.746 18 E HN 0.399 nan 8.360 nan 0.000 0.452 19 Y N 1.480 121.675 120.300 -0.175 0.000 2.337 19 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 19 Y C 2.712 178.229 175.900 -0.639 0.000 1.123 19 Y CA 1.002 58.842 58.100 -0.435 0.000 1.201 19 Y CB -0.093 38.222 38.460 -0.242 0.000 1.011 19 Y HN -0.023 nan 8.280 nan 0.000 0.545 20 Q N 0.379 120.129 119.800 -0.083 0.000 2.084 20 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 20 Q C 2.474 178.474 176.000 -0.000 0.000 0.978 20 Q CA 1.864 57.695 55.803 0.047 0.000 0.844 20 Q CB -0.600 28.212 28.738 0.123 0.000 0.898 20 Q HN 0.730 nan 8.270 nan 0.000 0.426 21 E N 1.564 121.730 120.200 -0.057 0.000 2.077 21 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 21 E C 1.887 178.443 176.600 -0.074 0.000 0.989 21 E CA 1.151 57.523 56.400 -0.048 0.000 0.800 21 E CB -0.871 28.790 29.700 -0.066 0.000 0.746 21 E HN 0.399 nan 8.360 nan 0.000 0.452 22 L N -0.821 120.292 121.223 -0.184 0.000 1.990 22 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 22 L C 2.598 179.460 176.870 -0.014 0.000 1.072 22 L CA 2.320 57.066 54.840 -0.157 0.000 0.755 22 L CB -0.375 41.528 42.059 -0.260 0.000 0.889 22 L HN 0.378 nan 8.230 nan 0.000 0.432 23 F N 0.452 120.439 119.950 0.061 0.000 2.069 23 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 23 F C 3.203 179.017 175.800 0.023 0.000 1.113 23 F CA 1.853 59.875 58.000 0.036 0.000 1.214 23 F CB -1.772 37.253 39.000 0.043 0.000 0.978 23 F HN 0.114 nan 8.300 nan 0.000 0.474 24 R N 0.780 121.402 120.500 0.204 0.000 2.094 24 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 24 R C 1.849 178.197 176.300 0.080 0.000 1.137 24 R CA 2.084 58.252 56.100 0.114 0.000 0.943 24 R CB -2.026 28.318 30.300 0.073 0.000 0.850 24 R HN 0.380 nan 8.270 nan 0.000 0.433 25 N N 0.058 118.793 118.700 0.058 0.000 2.453 25 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 25 N C 1.560 177.099 175.510 0.048 0.000 1.041 25 N CA 1.478 54.551 53.050 0.038 0.000 0.900 25 N CB 0.039 38.534 38.487 0.014 0.000 0.961 25 N HN 0.721 nan 8.380 nan 0.000 0.443 26 K N 0.960 121.409 120.400 0.080 0.000 2.262 26 K HA 0.095 4.415 4.320 -0.000 0.000 0.200 26 K C 1.964 178.593 176.600 0.048 0.000 1.049 26 K CA 0.113 56.443 56.287 0.072 0.000 0.979 26 K CB 0.306 32.877 32.500 0.117 0.000 0.773 26 K HN -0.073 nan 8.250 nan 0.000 0.474 27 R N 0.624 121.158 120.500 0.057 0.000 2.105 27 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 27 R C 2.520 178.829 176.300 0.015 0.000 1.135 27 R CA 2.043 58.163 56.100 0.033 0.000 0.967 27 R CB -0.289 30.037 30.300 0.044 0.000 0.861 27 R HN 0.331 nan 8.270 nan 0.000 0.442 28 Q N 0.389 120.200 119.800 0.018 0.000 2.364 28 Q HA -0.055 4.285 4.340 -0.000 0.000 0.209 28 Q C 1.848 177.847 176.000 -0.001 0.000 0.977 28 Q CA 1.520 57.328 55.803 0.007 0.000 0.885 28 Q CB -0.450 28.294 28.738 0.009 0.000 0.941 28 Q HN 0.482 nan 8.270 nan 0.000 0.464 29 L N -0.641 120.583 121.223 0.001 0.000 2.640 29 L HA 0.189 4.529 4.340 -0.000 0.000 0.230 29 L C 1.495 178.356 176.870 -0.015 0.000 1.123 29 L CA 0.239 55.076 54.840 -0.006 0.000 0.900 29 L CB 0.481 42.541 42.059 0.002 0.000 1.146 29 L HN 0.368 nan 8.230 nan 0.000 0.484 30 E N 0.211 120.398 120.200 -0.021 0.000 2.474 30 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 30 E C -0.259 176.302 176.600 -0.064 0.000 1.039 30 E CA -0.159 56.219 56.400 -0.037 0.000 0.881 30 E CB 0.358 30.038 29.700 -0.033 0.000 0.970 30 E HN 0.274 nan 8.360 nan 0.000 0.486 31 E N 0.291 120.455 120.200 -0.060 0.000 2.269 31 E HA -0.234 4.116 4.350 -0.000 0.000 0.223 31 E C -0.413 176.098 176.600 -0.148 0.000 1.244 31 E CA 0.024 56.373 56.400 -0.086 0.000 0.713 31 E CB -1.196 28.451 29.700 -0.088 0.000 1.178 31 E HN 0.334 nan 8.360 nan 0.000 0.370 32 A N 1.286 124.039 122.820 -0.112 0.000 2.531 32 A HA 0.080 4.400 4.320 -0.000 0.000 0.236 32 A C 0.395 177.902 177.584 -0.128 0.000 1.062 32 A CA 0.001 51.965 52.037 -0.122 0.000 0.760 32 A CB 0.298 19.276 19.000 -0.036 0.000 0.995 32 A HN 0.316 nan 8.150 nan 0.000 0.501 33 H N 1.051 120.123 119.070 0.003 0.000 2.852 33 H HA 0.092 4.648 4.556 -0.000 0.000 0.362 33 H C 0.053 175.384 175.328 0.006 0.000 1.122 33 H CA 0.847 56.898 56.048 0.004 0.000 1.419 33 H CB 0.567 30.333 29.762 0.007 0.000 1.401 33 H HN 0.874 nan 8.280 nan 0.000 0.609 34 D N -0.098 120.379 120.400 0.128 0.000 2.339 34 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 34 D C 1.116 177.459 176.300 0.071 0.000 1.115 34 D CA -0.108 53.936 54.000 0.073 0.000 0.917 34 D CB 0.745 41.573 40.800 0.047 0.000 1.192 34 D HN 0.459 nan 8.370 nan 0.000 0.428 35 A N 1.348 124.199 122.820 0.051 0.000 1.884 35 A HA -0.361 3.959 4.320 -0.000 0.000 0.219 35 A C 2.051 179.659 177.584 0.040 0.000 1.197 35 A CA 2.417 54.479 52.037 0.043 0.000 0.637 35 A CB -1.197 17.823 19.000 0.032 0.000 0.827 35 A HN 0.817 nan 8.150 nan 0.000 0.450 36 Q N -1.036 118.785 119.800 0.034 0.000 2.112 36 Q HA -0.302 4.038 4.340 -0.000 0.000 0.206 36 Q C 2.292 178.309 176.000 0.027 0.000 0.987 36 Q CA 2.261 58.082 55.803 0.029 0.000 0.858 36 Q CB -0.127 28.623 28.738 0.021 0.000 0.905 36 Q HN 0.557 nan 8.270 nan 0.000 0.420 37 R N -0.266 120.250 120.500 0.027 0.000 2.092 37 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 37 R C 2.029 178.334 176.300 0.009 0.000 1.119 37 R CA 1.448 57.550 56.100 0.003 0.000 0.970 37 R CB -0.589 29.707 30.300 -0.007 0.000 0.864 37 R HN 0.191 nan 8.270 nan 0.000 0.440 38 V N 0.772 120.710 119.914 0.040 0.000 2.358 38 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 38 V C 2.754 178.905 176.094 0.095 0.000 1.047 38 V CA 2.329 64.665 62.300 0.060 0.000 1.035 38 V CB -1.087 30.777 31.823 0.069 0.000 0.658 38 V HN 0.660 nan 8.190 nan 0.000 0.452 39 Q N -0.042 119.808 119.800 0.083 0.000 2.135 39 Q HA -0.326 4.014 4.340 -0.000 0.000 0.204 39 Q C 1.991 178.070 176.000 0.132 0.000 0.981 39 Q CA 2.208 58.083 55.803 0.120 0.000 0.856 39 Q CB -0.776 28.008 28.738 0.077 0.000 0.902 39 Q HN 0.810 nan 8.270 nan 0.000 0.425 40 E N -0.174 120.069 120.200 0.071 0.000 2.077 40 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 40 E C 2.119 178.763 176.600 0.073 0.000 0.989 40 E CA 1.235 57.663 56.400 0.045 0.000 0.800 40 E CB -0.071 29.624 29.700 -0.008 0.000 0.746 40 E HN 0.463 nan 8.360 nan 0.000 0.452 41 V N 1.081 121.046 119.914 0.085 0.000 2.427 41 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 41 V C 1.986 178.172 176.094 0.153 0.000 1.051 41 V CA 1.595 63.994 62.300 0.166 0.000 1.048 41 V CB -0.493 31.402 31.823 0.120 0.000 0.666 41 V HN 0.237 nan 8.190 nan 0.000 0.456 42 F N 1.869 121.823 119.950 0.007 0.000 2.102 42 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 42 F C 2.293 177.995 175.800 -0.163 0.000 1.105 42 F CA 1.504 59.461 58.000 -0.072 0.000 1.239 42 F CB -0.619 38.354 39.000 -0.044 0.000 0.991 42 F HN 0.069 nan 8.300 nan 0.000 0.474 43 A N -0.345 122.338 122.820 -0.229 0.000 1.933 43 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 43 A C 2.088 179.453 177.584 -0.366 0.000 1.175 43 A CA 1.542 53.370 52.037 -0.348 0.000 0.628 43 A CB -1.898 17.055 19.000 -0.079 0.000 0.814 43 A HN 0.756 nan 8.150 nan 0.000 0.444 44 W N 1.793 122.866 121.300 -0.378 0.000 2.363 44 W HA -0.197 4.464 4.660 0.000 0.000 0.296 44 W C 2.369 178.574 176.519 -0.524 0.000 1.212 44 W CA 2.629 59.784 57.345 -0.316 0.000 1.260 44 W CB -0.655 28.698 29.460 -0.178 0.000 1.131 44 W HN 0.399 nan 8.180 nan 0.000 0.530 45 T N -2.590 111.379 114.554 -0.975 0.000 3.098 45 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 45 T C 1.490 175.386 174.700 -1.341 0.000 1.145 45 T CA 1.586 62.668 62.100 -1.696 0.000 1.092 45 T CB -0.966 67.089 68.868 -1.355 0.000 0.908 45 T HN 0.257 nan 8.240 nan 0.000 0.526 46 T N -0.152 113.659 114.554 -1.239 0.000 3.086 46 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 46 T C 0.867 175.139 174.700 -0.712 0.000 1.074 46 T CA 0.152 61.410 62.100 -1.403 0.000 0.988 46 T CB -0.428 67.508 68.868 -1.554 0.000 0.988 46 T HN 0.612 nan 8.240 nan 0.000 0.530 47 T N -1.860 112.400 114.554 -0.490 0.000 2.944 47 T HA 0.762 5.112 4.350 -0.000 0.000 0.284 47 T C 1.567 176.180 174.700 -0.145 0.000 1.010 47 T CA -0.335 61.612 62.100 -0.254 0.000 1.025 47 T CB 1.514 70.291 68.868 -0.152 0.000 1.079 47 T HN 0.064 nan 8.240 nan 0.000 0.516 48 A N 0.023 122.797 122.820 -0.077 0.000 2.015 48 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 48 A C 2.181 179.758 177.584 -0.012 0.000 1.163 48 A CA 1.534 53.549 52.037 -0.036 0.000 0.646 48 A CB -0.960 18.025 19.000 -0.025 0.000 0.806 48 A HN 1.023 nan 8.150 nan 0.000 0.448 49 E N -1.594 118.612 120.200 0.009 0.000 2.107 49 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 49 E C 1.754 178.368 176.600 0.023 0.000 0.982 49 E CA 1.183 57.619 56.400 0.060 0.000 0.809 49 E CB -0.335 29.459 29.700 0.156 0.000 0.756 49 E HN 0.690 nan 8.360 nan 0.000 0.459 50 Y N 1.758 121.901 120.300 -0.262 0.000 2.200 50 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 50 Y C 2.250 178.014 175.900 -0.228 0.000 1.137 50 Y CA 2.146 59.964 58.100 -0.471 0.000 1.163 50 Y CB -0.136 37.792 38.460 -0.887 0.000 0.988 50 Y HN 0.126 nan 8.280 nan 0.000 0.518 51 E N 0.059 120.248 120.200 -0.018 0.000 2.097 51 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 51 E C 2.252 178.939 176.600 0.145 0.000 1.000 51 E CA 1.276 57.724 56.400 0.080 0.000 0.804 51 E CB -0.336 29.412 29.700 0.079 0.000 0.740 51 E HN 0.548 nan 8.360 nan 0.000 0.454 52 A N 1.021 123.872 122.820 0.051 0.000 1.883 52 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 52 A C 2.228 179.848 177.584 0.059 0.000 1.186 52 A CA 1.566 53.644 52.037 0.069 0.000 0.624 52 A CB -0.769 18.252 19.000 0.036 0.000 0.822 52 A HN 0.335 nan 8.150 nan 0.000 0.444 53 L N -0.437 120.756 121.223 -0.049 0.000 2.083 53 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 53 L C 2.522 179.309 176.870 -0.138 0.000 1.083 53 L CA 1.433 56.216 54.840 -0.095 0.000 0.752 53 L CB -0.648 41.312 42.059 -0.165 0.000 0.899 53 L HN 0.445 nan 8.230 nan 0.000 0.433 54 N N 0.515 119.065 118.700 -0.249 0.000 2.166 54 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 54 N C 1.575 177.044 175.510 -0.070 0.000 1.019 54 N CA 1.542 54.448 53.050 -0.240 0.000 0.856 54 N CB -0.172 38.133 38.487 -0.302 0.000 0.993 54 N HN 0.194 nan 8.380 nan 0.000 0.426 55 F N 0.456 120.453 119.950 0.078 0.000 2.802 55 F HA 0.202 4.729 4.527 -0.000 0.000 0.300 55 F C 1.867 177.714 175.800 0.078 0.000 1.168 55 F CA 0.246 58.318 58.000 0.120 0.000 1.433 55 F CB 0.152 39.186 39.000 0.056 0.000 1.115 55 F HN -0.034 nan 8.300 nan 0.000 0.582 56 R N -0.082 120.505 120.500 0.144 0.000 2.313 56 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 56 R C 0.563 176.901 176.300 0.064 0.000 0.958 56 R CA -0.065 56.090 56.100 0.091 0.000 1.047 56 R CB -0.033 30.302 30.300 0.057 0.000 0.955 56 R HN 0.133 nan 8.270 nan 0.000 0.481 57 R N 1.491 122.027 120.500 0.060 0.000 2.570 57 R HA -0.074 4.266 4.340 -0.000 0.000 0.277 57 R C 1.004 177.339 176.300 0.057 0.000 1.039 57 R CA 0.637 56.759 56.100 0.037 0.000 1.065 57 R CB 0.395 30.702 30.300 0.012 0.000 0.964 57 R HN 0.400 nan 8.270 nan 0.000 0.428 58 E N 1.833 122.055 120.200 0.037 0.000 2.676 58 E HA 0.147 4.497 4.350 -0.000 0.000 0.225 58 E C 0.311 176.931 176.600 0.034 0.000 0.944 58 E CA 0.155 56.581 56.400 0.044 0.000 1.156 58 E CB 0.830 30.554 29.700 0.040 0.000 1.117 58 E HN 0.526 nan 8.360 nan 0.000 0.523 59 A N 0.806 123.638 122.820 0.020 0.000 1.917 59 A HA 0.310 4.630 4.320 -0.000 0.000 0.200 59 A C 0.511 178.095 177.584 0.000 0.000 1.671 59 A CA -0.209 51.834 52.037 0.011 0.000 1.034 59 A CB 0.184 19.185 19.000 0.002 0.000 1.057 59 A HN 0.182 nan 8.150 nan 0.000 0.507 60 L N 2.047 123.259 121.223 -0.020 0.000 2.367 60 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 60 L C -0.689 176.152 176.870 -0.049 0.000 1.129 60 L CA 0.901 55.712 54.840 -0.048 0.000 0.839 60 L CB 0.892 42.903 42.059 -0.080 0.000 1.133 60 L HN 0.167 nan 8.230 nan 0.000 0.453 61 T N 4.911 119.436 114.554 -0.048 0.000 2.779 61 T HA 0.643 4.993 4.350 -0.000 0.000 0.280 61 T C -0.861 173.779 174.700 -0.100 0.000 0.987 61 T CA -0.405 61.672 62.100 -0.038 0.000 0.966 61 T CB 1.319 70.215 68.868 0.048 0.000 0.933 61 T HN 0.384 nan 8.240 nan 0.000 0.442 62 V N 3.312 123.140 119.914 -0.143 0.000 2.483 62 V HA 0.357 4.477 4.120 -0.000 0.000 0.297 62 V C -0.692 175.340 176.094 -0.105 0.000 1.027 62 V CA -1.044 61.139 62.300 -0.195 0.000 0.855 62 V CB 1.544 33.151 31.823 -0.361 0.000 0.995 62 V HN 0.965 nan 8.190 nan 0.000 0.424 63 D N 3.340 123.677 120.400 -0.106 0.000 2.828 63 D HA -0.106 4.534 4.640 -0.000 0.000 0.241 63 D C -2.163 174.077 176.300 -0.100 0.000 1.142 63 D CA 0.385 54.326 54.000 -0.098 0.000 0.755 63 D CB -0.724 40.084 40.800 0.013 0.000 1.014 63 D HN 0.477 nan 8.370 nan 0.000 0.420 64 P HA 0.198 nan 4.420 nan 0.000 0.268 64 P C -0.257 177.073 177.300 0.050 0.000 1.208 64 P CA -0.096 63.081 63.100 0.127 0.000 0.777 64 P CB 0.819 32.597 31.700 0.130 0.000 0.875 65 A N 2.886 125.896 122.820 0.316 0.000 3.215 65 A HA 0.461 4.781 4.320 -0.000 0.000 0.320 65 A C 0.271 177.957 177.584 0.170 0.000 1.084 65 A CA -0.268 51.852 52.037 0.138 0.000 0.969 65 A CB -0.469 18.545 19.000 0.024 0.000 1.064 65 A HN 0.630 nan 8.150 nan 0.000 0.513 66 K N -1.273 119.169 120.400 0.070 0.000 2.685 66 K HA 0.740 5.060 4.320 -0.000 0.000 0.290 66 K C -0.921 175.677 176.600 -0.003 0.000 1.018 66 K CA -0.406 55.923 56.287 0.071 0.000 0.860 66 K CB 0.704 33.177 32.500 -0.046 0.000 1.498 66 K HN 0.653 nan 8.250 nan 0.000 0.390 67 A N 0.333 123.193 122.820 0.065 0.000 2.443 67 A HA 0.809 5.129 4.320 -0.000 0.000 0.278 67 A C -0.475 177.142 177.584 0.055 0.000 1.252 67 A CA -0.402 51.611 52.037 -0.040 0.000 0.816 67 A CB 0.681 19.571 19.000 -0.183 0.000 1.369 67 A HN 1.174 nan 8.150 nan 0.000 0.446 68 C N -1.328 117.977 119.300 0.009 0.000 2.351 68 C HA 0.543 5.003 4.460 -0.000 0.000 0.359 68 C C 1.454 176.448 174.990 0.006 0.000 1.193 68 C CA -0.395 58.632 59.018 0.015 0.000 2.270 68 C CB 0.488 28.253 27.740 0.041 0.000 2.369 68 C HN 0.931 nan 8.230 nan 0.000 0.553 69 Q N 1.524 121.315 119.800 -0.015 0.000 2.082 69 Q HA -0.183 4.157 4.340 -0.000 0.000 0.211 69 Q C -0.368 175.626 176.000 -0.010 0.000 1.002 69 Q CA 2.581 58.381 55.803 -0.006 0.000 0.868 69 Q CB -1.497 27.227 28.738 -0.024 0.000 0.931 69 Q HN 0.712 nan 8.270 nan 0.000 0.414 70 P HA -0.175 nan 4.420 nan 0.000 0.216 70 P C 1.523 178.574 177.300 -0.415 0.000 1.150 70 P CA 0.950 63.937 63.100 -0.188 0.000 0.837 70 P CB -0.201 31.415 31.700 -0.141 0.000 0.786 71 L N 0.174 121.039 121.223 -0.596 0.000 1.997 71 L HA -0.147 4.193 4.340 -0.000 0.000 0.216 71 L C 2.467 179.521 176.870 0.307 0.000 1.074 71 L CA 2.644 57.310 54.840 -0.289 0.000 0.763 71 L CB -1.581 40.396 42.059 -0.137 0.000 0.890 71 L HN -0.008 nan 8.230 nan 0.000 0.434 72 G N -1.475 107.568 108.800 0.404 0.000 2.440 72 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 72 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 72 G C 1.596 176.767 174.900 0.451 0.000 1.154 72 G CA 0.837 46.344 45.100 0.679 0.000 0.767 72 G HN 0.658 nan 8.290 nan 0.000 0.552 73 A N 0.056 123.010 122.820 0.223 0.000 1.933 73 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 73 A C 2.609 180.269 177.584 0.126 0.000 1.175 73 A CA 1.771 53.885 52.037 0.128 0.000 0.628 73 A CB -0.583 18.481 19.000 0.107 0.000 0.814 73 A HN 0.257 nan 8.150 nan 0.000 0.444 74 V N -0.331 119.681 119.914 0.163 0.000 2.287 74 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 74 V C 2.488 178.661 176.094 0.132 0.000 1.053 74 V CA 2.046 64.465 62.300 0.197 0.000 1.027 74 V CB -0.758 31.241 31.823 0.294 0.000 0.646 74 V HN 0.589 nan 8.190 nan 0.000 0.447 75 L N -0.081 121.240 121.223 0.162 0.000 2.083 75 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 75 L C 2.461 179.310 176.870 -0.035 0.000 1.083 75 L CA 2.270 57.081 54.840 -0.048 0.000 0.752 75 L CB -0.953 41.065 42.059 -0.070 0.000 0.899 75 L HN 0.515 nan 8.230 nan 0.000 0.433 76 C N -1.329 117.870 119.300 -0.168 0.000 2.429 76 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 76 C C 2.972 177.823 174.990 -0.232 0.000 1.262 76 C CA 1.296 59.952 59.018 -0.604 0.000 1.733 76 C CB -1.027 25.946 27.740 -1.279 0.000 2.010 76 C HN 0.666 nan 8.230 nan 0.000 0.483 77 S N 0.825 116.510 115.700 -0.025 0.000 2.382 77 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 77 S C 1.622 176.309 174.600 0.145 0.000 1.027 77 S CA 1.527 59.833 58.200 0.178 0.000 0.991 77 S CB -0.423 62.944 63.200 0.278 0.000 0.823 77 S HN 0.687 nan 8.310 nan 0.000 0.469 78 L N 0.917 122.153 121.223 0.022 0.000 2.353 78 L HA -0.059 4.281 4.340 -0.000 0.000 0.220 78 L C 2.344 179.138 176.870 -0.127 0.000 1.133 78 L CA 0.871 55.685 54.840 -0.044 0.000 0.798 78 L CB -0.612 41.349 42.059 -0.163 0.000 0.922 78 L HN 0.404 nan 8.230 nan 0.000 0.445 79 G N -1.124 107.553 108.800 -0.206 0.000 2.920 79 G HA2 0.018 3.978 3.960 -0.000 0.000 0.208 79 G HA3 0.018 3.978 3.960 -0.000 0.000 0.208 79 G C 0.199 174.782 174.900 -0.527 0.000 1.159 79 G CA -0.241 44.625 45.100 -0.390 0.000 0.784 79 G HN 0.074 nan 8.290 nan 0.000 0.535 80 F N 0.402 120.220 119.950 -0.220 0.000 2.458 80 F HA 0.650 5.177 4.527 0.000 0.000 0.330 80 F C 0.702 176.440 175.800 -0.104 0.000 1.082 80 F CA -1.355 56.529 58.000 -0.193 0.000 0.995 80 F CB 1.689 40.547 39.000 -0.236 0.000 1.170 80 F HN 0.026 nan 8.300 nan 0.000 0.478 81 A N 2.404 125.263 122.820 0.065 0.000 2.511 81 A HA 0.154 4.474 4.320 -0.000 0.000 0.242 81 A C 0.640 178.199 177.584 -0.042 0.000 1.069 81 A CA -0.281 51.754 52.037 -0.003 0.000 0.763 81 A CB -0.368 18.610 19.000 -0.036 0.000 1.001 81 A HN 0.907 nan 8.150 nan 0.000 0.498 82 N N 0.486 119.100 118.700 -0.143 0.000 2.727 82 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 82 N C -0.399 174.842 175.510 -0.448 0.000 1.048 82 N CA 1.711 54.423 53.050 -0.564 0.000 0.714 82 N CB -1.469 36.751 38.487 -0.444 0.000 0.959 82 N HN 0.712 nan 8.380 nan 0.000 0.544 83 T N 0.890 115.405 114.554 -0.065 0.000 2.824 83 T HA 0.537 4.887 4.350 -0.000 0.000 0.280 83 T C 0.203 175.077 174.700 0.290 0.000 0.995 83 T CA -0.578 61.599 62.100 0.129 0.000 1.009 83 T CB 2.167 71.187 68.868 0.254 0.000 0.955 83 T HN 0.161 nan 8.240 nan 0.000 0.452 84 L N 6.256 127.644 121.223 0.274 0.000 2.298 84 L HA 0.527 4.867 4.340 -0.000 0.000 0.284 84 L C -2.661 174.362 176.870 0.256 0.000 1.013 84 L CA -2.280 52.739 54.840 0.297 0.000 0.824 84 L CB 1.113 43.363 42.059 0.318 0.000 1.221 84 L HN 0.318 nan 8.230 nan 0.000 0.418 85 P HA 0.131 nan 4.420 nan 0.000 0.271 85 P C -1.966 175.510 177.300 0.293 0.000 1.216 85 P CA 0.293 63.542 63.100 0.250 0.000 0.771 85 P CB 0.265 32.098 31.700 0.221 0.000 0.864 86 Y N 3.265 123.654 120.300 0.148 0.000 2.331 86 Y HA 0.425 4.975 4.550 -0.000 0.000 0.326 86 Y C -1.539 174.461 175.900 0.166 0.000 1.020 86 Y CA -1.146 57.041 58.100 0.145 0.000 1.136 86 Y CB 1.265 39.799 38.460 0.122 0.000 1.157 86 Y HN 0.049 nan 8.280 nan 0.000 0.444 87 V N 6.720 126.744 119.914 0.184 0.000 2.318 87 V HA 0.148 4.268 4.120 -0.000 0.000 0.271 87 V C -0.232 175.982 176.094 0.200 0.000 1.030 87 V CA -0.689 61.767 62.300 0.259 0.000 0.844 87 V CB 0.217 32.224 31.823 0.307 0.000 1.015 87 V HN 0.807 nan 8.190 nan 0.000 0.460 88 H N 4.194 123.426 119.070 0.271 0.000 3.026 88 H HA 0.542 5.098 4.556 -0.000 0.000 0.289 88 H C 0.512 175.935 175.328 0.159 0.000 1.022 88 H CA 1.482 57.680 56.048 0.251 0.000 1.477 88 H CB 0.213 30.143 29.762 0.281 0.000 1.510 88 H HN 0.964 nan 8.280 nan 0.000 0.535 89 G N 2.263 110.895 108.800 -0.280 0.000 2.291 89 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.249 89 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.249 89 G C -0.924 173.905 174.900 -0.119 0.000 1.340 89 G CA -0.396 44.572 45.100 -0.220 0.000 1.017 89 G HN 0.680 nan 8.290 nan 0.000 0.470 90 S N 0.335 115.997 115.700 -0.065 0.000 2.549 90 S HA 0.342 4.812 4.470 -0.000 0.000 0.279 90 S C 1.717 176.265 174.600 -0.087 0.000 1.321 90 S CA 0.791 58.954 58.200 -0.062 0.000 1.054 90 S CB 1.133 64.313 63.200 -0.033 0.000 0.899 90 S HN 0.794 nan 8.310 nan 0.000 0.497 91 Q N 4.052 123.790 119.800 -0.102 0.000 2.230 91 Q HA 0.016 4.356 4.340 -0.000 0.000 0.202 91 Q C 1.821 177.710 176.000 -0.186 0.000 0.963 91 Q CA 1.329 57.054 55.803 -0.129 0.000 0.866 91 Q CB -0.654 28.020 28.738 -0.108 0.000 0.931 91 Q HN 0.803 nan 8.270 nan 0.000 0.452 92 G N 1.204 109.890 108.800 -0.190 0.000 2.450 92 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 92 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 92 G C 1.388 176.077 174.900 -0.351 0.000 1.130 92 G CA 0.988 45.919 45.100 -0.283 0.000 0.760 92 G HN 0.488 nan 8.290 nan 0.000 0.557 93 C N -0.154 118.955 119.300 -0.318 0.000 2.413 93 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 93 C C 3.023 177.308 174.990 -1.174 0.000 1.228 93 C CA 0.770 59.418 59.018 -0.617 0.000 1.731 93 C CB -1.071 26.444 27.740 -0.374 0.000 2.042 93 C HN 0.294 nan 8.230 nan 0.000 0.468 94 V N 1.431 120.956 119.914 -0.649 0.000 2.343 94 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 94 V C 2.733 178.695 176.094 -0.219 0.000 1.051 94 V CA 2.167 64.259 62.300 -0.347 0.000 1.036 94 V CB -1.302 30.465 31.823 -0.094 0.000 0.654 94 V HN 0.615 nan 8.190 nan 0.000 0.451 95 A N -0.905 121.763 122.820 -0.254 0.000 1.883 95 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 95 A C 2.092 179.598 177.584 -0.131 0.000 1.186 95 A CA 2.041 53.956 52.037 -0.202 0.000 0.624 95 A CB -0.746 18.070 19.000 -0.306 0.000 0.822 95 A HN 0.543 nan 8.150 nan 0.000 0.444 96 Y N -0.912 119.268 120.300 -0.200 0.000 2.163 96 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 96 Y C 2.237 178.153 175.900 0.028 0.000 1.136 96 Y CA 0.912 58.939 58.100 -0.121 0.000 1.147 96 Y CB -1.006 37.347 38.460 -0.179 0.000 0.987 96 Y HN 0.340 nan 8.280 nan 0.000 0.509 97 F N -0.011 120.054 119.950 0.193 0.000 2.095 97 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 97 F C 2.344 178.274 175.800 0.216 0.000 1.104 97 F CA 1.110 59.197 58.000 0.145 0.000 1.232 97 F CB -1.363 37.749 39.000 0.187 0.000 0.987 97 F HN -0.053 nan 8.300 nan 0.000 0.475 98 R N -0.275 120.453 120.500 0.380 0.000 2.083 98 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 98 R C 2.178 178.654 176.300 0.292 0.000 1.137 98 R CA 2.069 58.363 56.100 0.323 0.000 0.951 98 R CB -1.180 29.230 30.300 0.183 0.000 0.851 98 R HN 0.216 nan 8.270 nan 0.000 0.434 99 T N 0.301 114.991 114.554 0.227 0.000 2.684 99 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 99 T C 1.473 176.318 174.700 0.242 0.000 1.036 99 T CA 1.414 63.628 62.100 0.190 0.000 1.148 99 T CB -0.421 68.546 68.868 0.166 0.000 0.863 99 T HN 0.244 nan 8.240 nan 0.000 0.436 100 Y N 0.678 121.061 120.300 0.138 0.000 2.128 100 Y HA -0.119 4.431 4.550 0.000 0.000 0.284 100 Y C 1.897 177.968 175.900 0.285 0.000 1.154 100 Y CA 1.091 59.279 58.100 0.147 0.000 1.149 100 Y CB -0.453 38.053 38.460 0.077 0.000 0.976 100 Y HN 0.168 nan 8.280 nan 0.000 0.505 101 F N -0.170 120.097 119.950 0.529 0.000 2.259 101 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 101 F C 2.023 178.062 175.800 0.398 0.000 1.088 101 F CA 1.232 59.542 58.000 0.517 0.000 1.358 101 F CB -1.166 38.143 39.000 0.515 0.000 1.040 101 F HN 0.104 nan 8.300 nan 0.000 0.505 102 N N 0.062 119.018 118.700 0.426 0.000 2.104 102 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 102 N C 1.804 177.403 175.510 0.148 0.000 1.024 102 N CA 1.237 54.431 53.050 0.240 0.000 0.853 102 N CB -0.156 38.413 38.487 0.138 0.000 1.008 102 N HN 0.215 nan 8.380 nan 0.000 0.424 103 R N -0.735 119.830 120.500 0.109 0.000 2.148 103 R HA -0.084 4.256 4.340 -0.000 0.000 0.223 103 R C 1.872 178.279 176.300 0.177 0.000 1.088 103 R CA 0.906 57.005 56.100 -0.003 0.000 0.985 103 R CB -0.157 29.901 30.300 -0.403 0.000 0.880 103 R HN 0.440 nan 8.270 nan 0.000 0.451 104 H N -0.516 118.650 119.070 0.160 0.000 2.355 104 H HA 0.009 4.565 4.556 -0.000 0.000 0.303 104 H C 1.151 176.258 175.328 -0.368 0.000 1.061 104 H CA 1.417 57.386 56.048 -0.132 0.000 1.368 104 H CB 0.089 29.682 29.762 -0.283 0.000 1.412 104 H HN 0.025 nan 8.280 nan 0.000 0.523 105 F N 0.539 120.412 119.950 -0.129 0.000 2.743 105 F HA 0.190 4.716 4.527 -0.000 0.000 0.297 105 F C 0.532 176.004 175.800 -0.547 0.000 1.131 105 F CA 0.185 57.822 58.000 -0.605 0.000 1.426 105 F CB 0.288 39.125 39.000 -0.271 0.000 1.116 105 F HN -0.077 nan 8.300 nan 0.000 0.583 106 K N 1.657 121.996 120.400 -0.101 0.000 3.244 106 K HA -0.190 4.130 4.320 -0.000 0.000 0.270 106 K C -0.749 175.857 176.600 0.011 0.000 1.016 106 K CA 0.454 56.696 56.287 -0.075 0.000 0.754 106 K CB -1.705 30.704 32.500 -0.152 0.000 1.326 106 K HN 0.317 nan 8.250 nan 0.000 0.465 107 E N -0.793 119.442 120.200 0.059 0.000 2.433 107 E HA 0.459 4.809 4.350 -0.000 0.000 0.278 107 E C -2.624 174.019 176.600 0.071 0.000 0.976 107 E CA -1.966 54.469 56.400 0.059 0.000 0.793 107 E CB 2.033 31.750 29.700 0.029 0.000 1.311 107 E HN -0.161 nan 8.360 nan 0.000 0.460 108 P HA 0.353 nan 4.420 nan 0.000 0.279 108 P C -0.398 176.946 177.300 0.074 0.000 1.239 108 P CA -0.314 62.813 63.100 0.045 0.000 0.789 108 P CB 0.731 32.437 31.700 0.010 0.000 0.933 109 I N 1.724 122.346 120.570 0.087 0.000 2.439 109 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 109 I C 0.152 176.319 176.117 0.084 0.000 1.021 109 I CA -1.055 60.310 61.300 0.108 0.000 1.091 109 I CB 1.359 39.498 38.000 0.231 0.000 1.242 109 I HN 0.322 nan 8.210 nan 0.000 0.439 110 A N 5.607 128.456 122.820 0.048 0.000 2.309 110 A HA 0.595 4.915 4.320 -0.000 0.000 0.290 110 A C -0.345 177.264 177.584 0.043 0.000 1.206 110 A CA -0.283 51.752 52.037 -0.004 0.000 0.850 110 A CB 0.702 19.666 19.000 -0.061 0.000 1.118 110 A HN 0.839 nan 8.150 nan 0.000 0.523 111 C N 3.107 122.423 119.300 0.027 0.000 3.113 111 C HA 0.625 5.085 4.460 -0.000 0.000 0.376 111 C C -0.652 174.351 174.990 0.023 0.000 1.077 111 C CA 0.063 59.136 59.018 0.091 0.000 1.253 111 C CB 0.553 28.412 27.740 0.199 0.000 1.637 111 C HN 1.497 nan 8.230 nan 0.000 0.535 112 V N 2.844 122.763 119.914 0.009 0.000 3.103 112 V HA 0.963 5.082 4.120 -0.000 0.000 0.318 112 V C -0.134 175.855 176.094 -0.175 0.000 1.114 112 V CA -0.238 62.015 62.300 -0.078 0.000 1.020 112 V CB 1.694 33.477 31.823 -0.068 0.000 1.085 112 V HN 1.032 nan 8.190 nan 0.000 0.446 113 S N -0.031 115.544 115.700 -0.209 0.000 2.689 113 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 113 S C -0.161 174.239 174.600 -0.332 0.000 1.104 113 S CA 0.070 58.120 58.200 -0.250 0.000 0.973 113 S CB 1.711 64.829 63.200 -0.138 0.000 1.121 113 S HN 1.126 nan 8.310 nan 0.000 0.523 114 D N 0.214 120.459 120.400 -0.259 0.000 2.462 114 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 114 D C -0.112 176.153 176.300 -0.059 0.000 1.173 114 D CA -0.234 53.694 54.000 -0.121 0.000 0.831 114 D CB -0.388 40.443 40.800 0.051 0.000 1.001 114 D HN 0.327 nan 8.370 nan 0.000 0.499 115 S N 0.029 115.679 115.700 -0.084 0.000 3.524 115 S HA -0.234 4.236 4.470 -0.000 0.000 0.377 115 S C 0.251 174.823 174.600 -0.047 0.000 0.949 115 S CA 0.165 58.327 58.200 -0.063 0.000 1.264 115 S CB -1.697 61.475 63.200 -0.047 0.000 0.918 115 S HN 0.511 nan 8.310 nan 0.000 0.517 116 M N 1.899 121.462 119.600 -0.062 0.000 2.217 116 M HA 0.177 4.657 4.480 -0.000 0.000 0.352 116 M C 1.170 177.455 176.300 -0.025 0.000 1.376 116 M CA 0.400 55.674 55.300 -0.043 0.000 1.107 116 M CB 0.455 33.007 32.600 -0.079 0.000 1.723 116 M HN 0.597 nan 8.290 nan 0.000 0.461 117 T N -0.895 113.658 114.554 -0.003 0.000 2.735 117 T HA 0.525 4.875 4.350 -0.000 0.000 0.262 117 T C 1.295 176.008 174.700 0.021 0.000 0.955 117 T CA -0.056 62.046 62.100 0.004 0.000 1.022 117 T CB 0.700 69.570 68.868 0.003 0.000 1.455 117 T HN 0.617 nan 8.240 nan 0.000 0.583 118 E N 0.505 120.718 120.200 0.022 0.000 2.118 118 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 118 E C 1.635 178.266 176.600 0.051 0.000 0.992 118 E CA 2.052 58.467 56.400 0.026 0.000 0.804 118 E CB -1.561 28.150 29.700 0.018 0.000 0.741 118 E HN 0.777 nan 8.360 nan 0.000 0.458 119 D N 0.015 120.465 120.400 0.084 0.000 2.123 119 D HA -0.016 4.624 4.640 -0.000 0.000 0.196 119 D C 2.144 178.583 176.300 0.232 0.000 0.992 119 D CA 1.737 55.843 54.000 0.175 0.000 0.833 119 D CB -0.446 40.450 40.800 0.159 0.000 0.954 119 D HN 0.519 nan 8.370 nan 0.000 0.455 120 A N 0.579 123.482 122.820 0.139 0.000 2.066 120 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 120 A C 2.211 179.862 177.584 0.110 0.000 1.157 120 A CA 1.435 53.554 52.037 0.138 0.000 0.670 120 A CB -0.453 18.593 19.000 0.076 0.000 0.804 120 A HN 0.205 nan 8.150 nan 0.000 0.453 121 A N -0.247 122.611 122.820 0.064 0.000 2.019 121 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 121 A C 2.195 179.775 177.584 -0.007 0.000 1.164 121 A CA 1.956 54.012 52.037 0.032 0.000 0.644 121 A CB -0.651 18.358 19.000 0.014 0.000 0.805 121 A HN 1.213 nan 8.150 nan 0.000 0.449 122 V N -4.641 115.229 119.914 -0.073 0.000 3.085 122 V HA 0.220 4.340 4.120 -0.000 0.000 0.245 122 V C 1.806 177.718 176.094 -0.303 0.000 1.114 122 V CA 0.879 63.034 62.300 -0.241 0.000 1.108 122 V CB -0.557 31.014 31.823 -0.420 0.000 0.798 122 V HN 0.284 nan 8.190 nan 0.000 0.471 123 F N 2.391 122.358 119.950 0.028 0.000 2.698 123 F HA 0.704 5.231 4.527 -0.000 0.000 0.295 123 F C 1.511 177.341 175.800 0.051 0.000 1.124 123 F CA 0.703 58.718 58.000 0.025 0.000 1.426 123 F CB -0.030 38.969 39.000 -0.002 0.000 1.120 123 F HN 0.536 nan 8.300 nan 0.000 0.583 124 G N -0.170 108.764 108.800 0.224 0.000 2.699 124 G HA2 0.041 4.001 3.960 -0.000 0.000 0.686 124 G HA3 0.041 4.001 3.960 -0.000 0.000 0.686 124 G C 0.548 175.565 174.900 0.195 0.000 1.301 124 G CA -0.654 44.603 45.100 0.261 0.000 0.816 124 G HN 0.486 nan 8.290 nan 0.000 0.595 125 G N -0.775 108.196 108.800 0.284 0.000 3.383 125 G HA2 0.240 4.200 3.960 -0.000 0.000 0.251 125 G HA3 0.240 4.200 3.960 -0.000 0.000 0.251 125 G C 1.044 175.805 174.900 -0.232 0.000 1.203 125 G CA 1.003 46.208 45.100 0.175 0.000 0.852 125 G HN 0.897 nan 8.290 nan 0.000 0.531 126 N N 0.785 118.950 118.700 -0.891 0.000 2.104 126 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 126 N C 2.069 177.233 175.510 -0.577 0.000 1.024 126 N CA 1.226 53.493 53.050 -1.305 0.000 0.853 126 N CB 0.073 37.847 38.487 -1.188 0.000 1.008 126 N HN 0.142 nan 8.380 nan 0.000 0.424 127 N N 0.905 119.388 118.700 -0.362 0.000 2.120 127 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 127 N C 1.168 176.544 175.510 -0.223 0.000 1.024 127 N CA 1.094 53.966 53.050 -0.297 0.000 0.852 127 N CB -0.774 37.580 38.487 -0.222 0.000 1.003 127 N HN 0.356 nan 8.380 nan 0.000 0.424 128 N N 0.861 119.491 118.700 -0.115 0.000 2.061 128 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 128 N C 1.695 177.230 175.510 0.041 0.000 1.030 128 N CA 1.289 54.332 53.050 -0.011 0.000 0.856 128 N CB -0.277 38.244 38.487 0.057 0.000 1.023 128 N HN 0.168 nan 8.380 nan 0.000 0.424 129 M N 1.014 120.638 119.600 0.041 0.000 2.080 129 M HA -0.099 4.381 4.480 -0.000 0.000 0.260 129 M C 1.171 177.422 176.300 -0.082 0.000 1.068 129 M CA 1.561 56.896 55.300 0.059 0.000 1.109 129 M CB -0.366 32.187 32.600 -0.079 0.000 1.342 129 M HN 0.073 nan 8.290 nan 0.000 0.405 130 N N 0.303 118.816 118.700 -0.312 0.000 2.043 130 N HA -0.136 4.604 4.740 -0.000 0.000 0.193 130 N C 1.827 177.125 175.510 -0.353 0.000 1.037 130 N CA 1.922 54.621 53.050 -0.585 0.000 0.851 130 N CB -0.751 36.860 38.487 -1.460 0.000 1.027 130 N HN 0.423 nan 8.380 nan 0.000 0.422 131 L N 0.188 121.248 121.223 -0.272 0.000 2.093 131 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 131 L C 2.423 179.345 176.870 0.087 0.000 1.085 131 L CA 1.140 55.961 54.840 -0.033 0.000 0.755 131 L CB -0.765 41.274 42.059 -0.033 0.000 0.904 131 L HN 0.224 nan 8.230 nan 0.000 0.435 132 G N 0.092 108.964 108.800 0.121 0.000 2.402 132 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 132 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 132 G C 1.624 176.756 174.900 0.388 0.000 1.162 132 G CA 0.409 45.666 45.100 0.261 0.000 0.777 132 G HN 0.205 nan 8.290 nan 0.000 0.539 133 L N -0.157 121.228 121.223 0.270 0.000 2.056 133 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 133 L C 2.955 179.930 176.870 0.175 0.000 1.078 133 L CA 1.425 56.362 54.840 0.161 0.000 0.749 133 L CB -0.470 41.593 42.059 0.006 0.000 0.901 133 L HN 0.320 nan 8.230 nan 0.000 0.433 134 Q N 0.326 120.244 119.800 0.197 0.000 2.030 134 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 134 Q C 2.037 178.126 176.000 0.148 0.000 0.986 134 Q CA 1.871 57.788 55.803 0.191 0.000 0.843 134 Q CB 0.090 28.997 28.738 0.281 0.000 0.904 134 Q HN 0.462 nan 8.270 nan 0.000 0.420 135 N N 0.283 119.073 118.700 0.150 0.000 2.106 135 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 135 N C 1.625 177.214 175.510 0.132 0.000 1.029 135 N CA 1.369 54.488 53.050 0.114 0.000 0.848 135 N CB -0.544 38.008 38.487 0.109 0.000 1.007 135 N HN 0.366 nan 8.380 nan 0.000 0.423 136 A N 0.695 123.652 122.820 0.229 0.000 1.908 136 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 136 A C 2.522 180.261 177.584 0.258 0.000 1.181 136 A CA 1.911 54.148 52.037 0.333 0.000 0.627 136 A CB -0.821 18.427 19.000 0.414 0.000 0.818 136 A HN 0.274 nan 8.150 nan 0.000 0.445 137 S N -0.180 115.629 115.700 0.183 0.000 2.359 137 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 137 S C 2.347 176.998 174.600 0.086 0.000 1.035 137 S CA 1.342 59.622 58.200 0.133 0.000 1.018 137 S CB -0.586 62.669 63.200 0.091 0.000 0.876 137 S HN 0.832 nan 8.310 nan 0.000 0.448 138 A N 1.304 124.154 122.820 0.050 0.000 1.865 138 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 138 A C 2.108 179.651 177.584 -0.069 0.000 1.191 138 A CA 1.501 53.537 52.037 -0.001 0.000 0.623 138 A CB -0.822 18.175 19.000 -0.006 0.000 0.826 138 A HN 0.375 nan 8.150 nan 0.000 0.444 139 L N -2.331 118.781 121.223 -0.185 0.000 2.027 139 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 139 L C 2.139 178.699 176.870 -0.516 0.000 1.074 139 L CA 1.760 56.303 54.840 -0.494 0.000 0.745 139 L CB -0.809 40.700 42.059 -0.917 0.000 0.898 139 L HN 0.536 nan 8.230 nan 0.000 0.433 140 Y N -1.071 119.306 120.300 0.127 0.000 2.442 140 Y HA 0.201 4.751 4.550 -0.000 0.000 0.250 140 Y C 0.635 176.680 175.900 0.241 0.000 1.113 140 Y CA -1.070 57.133 58.100 0.171 0.000 1.273 140 Y CB -0.211 38.359 38.460 0.184 0.000 1.138 140 Y HN -0.013 nan 8.280 nan 0.000 0.522 141 K N 0.950 121.499 120.400 0.249 0.000 3.490 141 K HA -0.178 4.142 4.320 -0.000 0.000 0.273 141 K C -2.768 173.932 176.600 0.167 0.000 0.916 141 K CA 0.214 56.611 56.287 0.184 0.000 0.718 141 K CB -1.440 31.143 32.500 0.138 0.000 1.477 141 K HN 0.301 nan 8.250 nan 0.000 0.452 142 P HA 0.104 nan 4.420 nan 0.000 0.276 142 P C 0.212 177.467 177.300 -0.074 0.000 1.244 142 P CA -0.197 62.867 63.100 -0.060 0.000 0.801 142 P CB 0.783 32.544 31.700 0.102 0.000 1.006 143 E N 0.184 120.294 120.200 -0.150 0.000 2.170 143 E HA 0.090 4.440 4.350 -0.000 0.000 0.191 143 E C 0.339 176.934 176.600 -0.008 0.000 0.981 143 E CA 0.665 57.027 56.400 -0.063 0.000 0.830 143 E CB 0.053 29.710 29.700 -0.072 0.000 0.775 143 E HN 0.439 nan 8.360 nan 0.000 0.470 144 I N 1.333 121.902 120.570 -0.002 0.000 2.545 144 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 144 I C -0.683 175.461 176.117 0.045 0.000 1.040 144 I CA -0.678 60.648 61.300 0.044 0.000 1.068 144 I CB 2.269 40.344 38.000 0.124 0.000 1.251 144 I HN -0.126 nan 8.210 nan 0.000 0.424 145 I N 5.348 125.918 120.570 0.001 0.000 2.390 145 I HA 0.436 4.606 4.170 -0.000 0.000 0.283 145 I C 0.153 176.239 176.117 -0.051 0.000 1.016 145 I CA -0.462 60.848 61.300 0.017 0.000 1.151 145 I CB 1.617 39.602 38.000 -0.025 0.000 1.293 145 I HN 0.607 nan 8.210 nan 0.000 0.458 146 A N 7.224 130.065 122.820 0.036 0.000 2.294 146 A HA 0.606 4.926 4.320 -0.000 0.000 0.316 146 A C -0.281 177.343 177.584 0.067 0.000 1.359 146 A CA -0.382 51.640 52.037 -0.025 0.000 0.956 146 A CB 0.352 19.455 19.000 0.170 0.000 1.155 146 A HN 0.464 nan 8.150 nan 0.000 0.544 147 V N 3.535 123.441 119.914 -0.013 0.000 2.407 147 V HA 0.554 4.674 4.120 -0.000 0.000 0.278 147 V C 0.591 176.747 176.094 0.103 0.000 1.037 147 V CA 0.195 62.539 62.300 0.072 0.000 0.900 147 V CB 0.902 32.690 31.823 -0.058 0.000 0.983 147 V HN 1.080 nan 8.190 nan 0.000 0.459 148 S N 3.032 118.843 115.700 0.185 0.000 2.810 148 S HA 0.893 5.363 4.470 -0.000 0.000 0.315 148 S C -0.277 174.440 174.600 0.195 0.000 1.138 148 S CA -0.413 57.874 58.200 0.145 0.000 0.889 148 S CB 2.261 65.545 63.200 0.139 0.000 1.236 148 S HN 0.850 nan 8.310 nan 0.000 0.548 149 T N -1.285 113.364 114.554 0.158 0.000 2.916 149 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 149 T C 0.000 174.807 174.700 0.178 0.000 1.055 149 T CA -0.403 61.808 62.100 0.184 0.000 1.009 149 T CB 1.183 70.142 68.868 0.152 0.000 1.118 149 T HN 1.083 nan 8.240 nan 0.000 0.497 150 T N -2.004 112.649 114.554 0.166 0.000 2.937 150 T HA 0.355 4.705 4.350 -0.000 0.000 0.283 150 T C 1.843 176.631 174.700 0.146 0.000 1.012 150 T CA -0.291 61.908 62.100 0.166 0.000 0.997 150 T CB 0.608 69.557 68.868 0.134 0.000 1.136 150 T HN 1.148 nan 8.240 nan 0.000 0.551 151 C N 0.931 120.328 119.300 0.160 0.000 2.432 151 C HA 0.077 4.537 4.460 -0.000 0.000 0.280 151 C C 2.626 177.756 174.990 0.234 0.000 1.353 151 C CA 0.600 59.757 59.018 0.231 0.000 1.766 151 C CB -1.853 26.060 27.740 0.287 0.000 1.924 151 C HN 0.904 nan 8.230 nan 0.000 0.509 152 M N 2.309 121.998 119.600 0.148 0.000 2.117 152 M HA -0.045 4.435 4.480 -0.000 0.000 0.262 152 M C 2.451 178.820 176.300 0.117 0.000 1.065 152 M CA 2.284 57.648 55.300 0.107 0.000 1.114 152 M CB -0.388 32.245 32.600 0.055 0.000 1.361 152 M HN 0.432 nan 8.290 nan 0.000 0.408 153 A N 0.017 122.903 122.820 0.111 0.000 2.014 153 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 153 A C 1.857 179.570 177.584 0.214 0.000 1.163 153 A CA 1.316 53.442 52.037 0.148 0.000 0.652 153 A CB -0.502 18.562 19.000 0.107 0.000 0.808 153 A HN 0.571 nan 8.150 nan 0.000 0.449 154 E N -0.171 120.172 120.200 0.239 0.000 2.072 154 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 154 E C 2.191 178.954 176.600 0.271 0.000 0.982 154 E CA 1.157 57.734 56.400 0.295 0.000 0.803 154 E CB -0.530 29.376 29.700 0.343 0.000 0.755 154 E HN 0.359 nan 8.360 nan 0.000 0.453 155 V N 2.496 122.552 119.914 0.237 0.000 2.427 155 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 155 V C 2.489 178.634 176.094 0.086 0.000 1.051 155 V CA 1.642 64.014 62.300 0.120 0.000 1.048 155 V CB -0.599 31.266 31.823 0.070 0.000 0.666 155 V HN 0.336 nan 8.190 nan 0.000 0.456 156 I N -1.199 119.434 120.570 0.105 0.000 2.761 156 I HA 0.275 4.445 4.170 -0.000 0.000 0.261 156 I C 1.516 177.695 176.117 0.103 0.000 1.198 156 I CA 1.184 62.540 61.300 0.092 0.000 1.482 156 I CB -0.408 37.652 38.000 0.099 0.000 1.100 156 I HN 0.389 nan 8.210 nan 0.000 0.445 157 G N 1.531 110.404 108.800 0.121 0.000 2.132 157 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.228 157 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.228 157 G C -0.383 174.562 174.900 0.075 0.000 1.000 157 G CA 0.110 45.265 45.100 0.092 0.000 0.693 157 G HN 0.499 nan 8.290 nan 0.000 0.515 158 D N 0.770 121.246 120.400 0.126 0.000 2.658 158 D HA 0.243 4.883 4.640 -0.000 0.000 0.230 158 D C 0.473 176.625 176.300 -0.248 0.000 1.118 158 D CA 0.616 54.622 54.000 0.011 0.000 0.848 158 D CB 0.701 41.680 40.800 0.298 0.000 1.160 158 D HN 0.247 nan 8.370 nan 0.000 0.497 159 D N 3.332 123.321 120.400 -0.686 0.000 2.563 159 D HA 0.006 4.646 4.640 -0.000 0.000 0.222 159 D C 1.238 177.008 176.300 -0.883 0.000 1.145 159 D CA -0.562 53.104 54.000 -0.557 0.000 1.001 159 D CB 0.028 40.613 40.800 -0.359 0.000 1.049 159 D HN 0.126 nan 8.370 nan 0.000 0.515 160 L N 2.912 123.765 121.223 -0.617 0.000 2.011 160 L HA -0.265 4.075 4.340 -0.000 0.000 0.225 160 L C 2.271 178.815 176.870 -0.543 0.000 1.084 160 L CA 2.128 56.618 54.840 -0.584 0.000 0.791 160 L CB -0.823 40.933 42.059 -0.506 0.000 0.898 160 L HN 0.533 nan 8.230 nan 0.000 0.440 161 Q N -1.565 117.940 119.800 -0.493 0.000 2.112 161 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 161 Q C 2.045 177.896 176.000 -0.248 0.000 0.987 161 Q CA 2.096 57.628 55.803 -0.452 0.000 0.858 161 Q CB -0.186 28.449 28.738 -0.172 0.000 0.905 161 Q HN 0.641 nan 8.270 nan 0.000 0.420 162 A N -0.049 122.655 122.820 -0.194 0.000 1.929 162 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 162 A C 1.679 179.305 177.584 0.069 0.000 1.176 162 A CA 0.948 52.947 52.037 -0.063 0.000 0.628 162 A CB -0.654 18.326 19.000 -0.033 0.000 0.816 162 A HN 0.457 nan 8.150 nan 0.000 0.444 163 F N 0.187 120.044 119.950 -0.155 0.000 2.134 163 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 163 F C 2.137 177.828 175.800 -0.181 0.000 1.097 163 F CA 0.481 58.380 58.000 -0.169 0.000 1.264 163 F CB -1.022 37.840 39.000 -0.230 0.000 1.001 163 F HN 0.133 nan 8.300 nan 0.000 0.479 164 I N -0.354 120.189 120.570 -0.044 0.000 2.439 164 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 164 I C 2.546 178.624 176.117 -0.065 0.000 1.139 164 I CA 0.914 62.148 61.300 -0.109 0.000 1.438 164 I CB -0.681 37.187 38.000 -0.219 0.000 1.085 164 I HN 0.027 nan 8.210 nan 0.000 0.427 165 A N 1.274 124.061 122.820 -0.056 0.000 1.902 165 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 165 A C 2.072 179.661 177.584 0.008 0.000 1.181 165 A CA 1.985 54.005 52.037 -0.027 0.000 0.623 165 A CB -0.623 18.361 19.000 -0.026 0.000 0.818 165 A HN 0.387 nan 8.150 nan 0.000 0.443 166 N N 0.527 119.246 118.700 0.031 0.000 2.084 166 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 166 N C 1.936 177.498 175.510 0.086 0.000 1.030 166 N CA 1.702 54.783 53.050 0.051 0.000 0.849 166 N CB -0.776 37.736 38.487 0.043 0.000 1.012 166 N HN 0.446 nan 8.380 nan 0.000 0.423 167 A N 1.463 124.317 122.820 0.057 0.000 1.892 167 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 167 A C 2.102 179.774 177.584 0.147 0.000 1.188 167 A CA 1.761 53.882 52.037 0.139 0.000 0.631 167 A CB -0.480 18.540 19.000 0.034 0.000 0.822 167 A HN 0.321 nan 8.150 nan 0.000 0.447 168 K N -0.568 119.863 120.400 0.052 0.000 2.155 168 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 168 K C 2.475 179.089 176.600 0.022 0.000 1.052 168 K CA 1.469 57.769 56.287 0.022 0.000 0.948 168 K CB -0.207 32.284 32.500 -0.014 0.000 0.728 168 K HN 0.480 nan 8.250 nan 0.000 0.448 169 K N 1.321 121.741 120.400 0.033 0.000 2.103 169 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 169 K C 1.351 177.963 176.600 0.021 0.000 1.052 169 K CA 1.777 58.077 56.287 0.021 0.000 0.945 169 K CB -0.381 32.134 32.500 0.024 0.000 0.722 169 K HN 0.076 nan 8.250 nan 0.000 0.443 170 D N -0.913 119.526 120.400 0.065 0.000 2.325 170 D HA 0.187 4.827 4.640 -0.000 0.000 0.225 170 D C 1.008 177.230 176.300 -0.129 0.000 1.096 170 D CA 0.718 54.743 54.000 0.042 0.000 0.844 170 D CB 0.226 41.160 40.800 0.224 0.000 0.925 170 D HN 0.565 nan 8.370 nan 0.000 0.513 171 G N 0.656 109.396 108.800 -0.099 0.000 2.155 171 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 171 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 171 G C 0.877 175.619 174.900 -0.264 0.000 0.983 171 G CA 0.229 45.221 45.100 -0.180 0.000 0.676 171 G HN 0.337 nan 8.290 nan 0.000 0.528 172 F N -0.548 119.388 119.950 -0.023 0.000 2.234 172 F HA 0.299 4.826 4.527 -0.000 0.000 0.299 172 F C 1.702 177.492 175.800 -0.016 0.000 1.087 172 F CA 1.562 59.552 58.000 -0.018 0.000 1.340 172 F CB 0.174 39.162 39.000 -0.021 0.000 1.031 172 F HN 0.224 nan 8.300 nan 0.000 0.500 173 V N 0.120 120.106 119.914 0.119 0.000 2.531 173 V HA 0.267 4.387 4.120 -0.000 0.000 0.301 173 V C -0.863 175.238 176.094 0.011 0.000 1.034 173 V CA -1.047 61.285 62.300 0.053 0.000 0.865 173 V CB 1.459 33.299 31.823 0.029 0.000 0.995 173 V HN -0.003 nan 8.190 nan 0.000 0.424 174 D N 3.405 123.806 120.400 0.001 0.000 2.378 174 D HA 0.095 4.735 4.640 -0.000 0.000 0.238 174 D C 1.372 177.661 176.300 -0.018 0.000 1.180 174 D CA 0.976 54.969 54.000 -0.012 0.000 0.895 174 D CB 1.477 42.273 40.800 -0.008 0.000 1.192 174 D HN 0.707 nan 8.370 nan 0.000 0.438 175 S N 0.108 115.795 115.700 -0.022 0.000 2.515 175 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 175 S C 1.771 176.355 174.600 -0.026 0.000 0.987 175 S CA 0.794 58.978 58.200 -0.027 0.000 0.936 175 S CB -0.441 62.744 63.200 -0.025 0.000 0.766 175 S HN 0.453 nan 8.310 nan 0.000 0.528 176 S N 1.227 116.917 115.700 -0.018 0.000 2.453 176 S HA 0.218 4.688 4.470 -0.000 0.000 0.231 176 S C 0.624 175.218 174.600 -0.010 0.000 1.005 176 S CA -0.101 58.092 58.200 -0.011 0.000 0.949 176 S CB -0.687 62.509 63.200 -0.007 0.000 0.774 176 S HN 0.567 nan 8.310 nan 0.000 0.510 177 I N 2.193 122.753 120.570 -0.017 0.000 2.331 177 I HA 0.507 4.676 4.170 -0.000 0.000 0.292 177 I C 0.362 176.450 176.117 -0.048 0.000 0.998 177 I CA -0.761 60.528 61.300 -0.019 0.000 1.267 177 I CB 1.427 39.421 38.000 -0.010 0.000 1.386 177 I HN 0.210 nan 8.210 nan 0.000 0.476 178 A N 6.350 129.144 122.820 -0.044 0.000 2.327 178 A HA 0.616 4.936 4.320 -0.000 0.000 0.283 178 A C -0.192 177.290 177.584 -0.171 0.000 1.127 178 A CA -0.334 51.620 52.037 -0.140 0.000 0.810 178 A CB 0.773 19.675 19.000 -0.163 0.000 1.066 178 A HN 0.517 nan 8.150 nan 0.000 0.492 179 V N 4.836 124.605 119.914 -0.241 0.000 2.384 179 V HA 0.244 4.364 4.120 -0.000 0.000 0.257 179 V C -2.305 173.632 176.094 -0.262 0.000 0.969 179 V CA -1.111 61.054 62.300 -0.225 0.000 0.910 179 V CB 0.626 32.341 31.823 -0.181 0.000 1.150 179 V HN 0.844 nan 8.190 nan 0.000 0.481 180 P HA 0.276 nan 4.420 nan 0.000 0.272 180 P C -0.761 176.353 177.300 -0.310 0.000 1.223 180 P CA 0.416 63.211 63.100 -0.508 0.000 0.784 180 P CB 0.851 31.970 31.700 -0.968 0.000 0.923 181 H N -0.288 118.600 119.070 -0.304 0.000 3.012 181 H HA 0.795 5.351 4.556 0.000 0.000 0.367 181 H C -2.023 173.217 175.328 -0.147 0.000 1.211 181 H CA -1.270 54.651 56.048 -0.213 0.000 1.139 181 H CB 1.648 31.281 29.762 -0.215 0.000 1.838 181 H HN 0.593 nan 8.280 nan 0.000 0.550 182 A N 2.267 125.050 122.820 -0.061 0.000 2.549 182 A HA 0.352 4.672 4.320 -0.000 0.000 0.297 182 A C -1.238 176.332 177.584 -0.023 0.000 1.061 182 A CA -0.795 51.217 52.037 -0.042 0.000 0.690 182 A CB 1.417 20.412 19.000 -0.009 0.000 1.287 182 A HN 0.812 nan 8.150 nan 0.000 0.402 183 H N 1.673 120.786 119.070 0.071 0.000 2.722 183 H HA 0.332 4.888 4.556 -0.000 0.000 0.328 183 H C 0.056 175.404 175.328 0.033 0.000 1.067 183 H CA 1.558 57.643 56.048 0.062 0.000 1.447 183 H CB 0.915 30.705 29.762 0.046 0.000 1.469 183 H HN 0.662 nan 8.280 nan 0.000 0.544 184 T N 1.729 116.341 114.554 0.097 0.000 3.410 184 T HA 0.219 4.569 4.350 -0.000 0.000 0.328 184 T C -2.933 171.737 174.700 -0.048 0.000 1.567 184 T CA -1.895 60.227 62.100 0.036 0.000 1.626 184 T CB 0.980 69.878 68.868 0.049 0.000 0.939 184 T HN 0.298 nan 8.240 nan 0.000 0.656 185 P HA 0.167 nan 4.420 nan 0.000 0.276 185 P C 1.243 178.209 177.300 -0.557 0.000 1.253 185 P CA -0.169 62.618 63.100 -0.522 0.000 0.766 185 P CB 1.459 32.667 31.700 -0.820 0.000 0.845 186 S N 3.212 118.658 115.700 -0.423 0.000 2.442 186 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 186 S C 1.243 175.748 174.600 -0.158 0.000 1.007 186 S CA 0.707 58.795 58.200 -0.186 0.000 0.965 186 S CB -1.301 61.906 63.200 0.012 0.000 0.773 186 S HN 0.465 nan 8.310 nan 0.000 0.504 187 F N 0.524 120.498 119.950 0.039 0.000 2.692 187 F HA 0.602 5.129 4.527 0.000 0.000 0.303 187 F C 0.185 175.997 175.800 0.020 0.000 1.114 187 F CA -1.434 56.581 58.000 0.024 0.000 1.361 187 F CB -0.576 38.439 39.000 0.026 0.000 1.063 187 F HN 0.054 nan 8.300 nan 0.000 0.550 188 I N 0.770 121.266 120.570 -0.124 0.000 2.465 188 I HA 0.616 4.786 4.170 -0.000 0.000 0.291 188 I C 0.833 176.919 176.117 -0.052 0.000 1.014 188 I CA -0.537 60.745 61.300 -0.030 0.000 1.093 188 I CB 1.361 39.336 38.000 -0.041 0.000 1.267 188 I HN 0.361 nan 8.210 nan 0.000 0.431 189 G N 5.078 113.862 108.800 -0.026 0.000 2.547 189 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.271 189 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.271 189 G C -0.163 174.685 174.900 -0.086 0.000 1.209 189 G CA 0.171 45.240 45.100 -0.052 0.000 0.959 189 G HN 1.079 nan 8.290 nan 0.000 0.563 190 S N -2.693 112.935 115.700 -0.120 0.000 2.929 190 S HA 0.612 5.082 4.470 -0.000 0.000 0.311 190 S C 1.175 175.680 174.600 -0.157 0.000 1.213 190 S CA 0.712 58.833 58.200 -0.132 0.000 0.908 190 S CB 0.715 63.795 63.200 -0.201 0.000 1.287 190 S HN 1.951 nan 8.310 nan 0.000 0.594 191 H N 0.842 119.822 119.070 -0.150 0.000 2.457 191 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 191 H C 2.044 177.284 175.328 -0.147 0.000 1.092 191 H CA 2.072 58.017 56.048 -0.173 0.000 1.309 191 H CB -1.055 28.519 29.762 -0.313 0.000 1.382 191 H HN 0.574 nan 8.280 nan 0.000 0.535 192 V N -0.213 119.237 119.914 -0.774 0.000 2.548 192 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 192 V C 2.223 178.307 176.094 -0.017 0.000 1.055 192 V CA 1.657 63.751 62.300 -0.343 0.000 1.065 192 V CB -0.977 30.611 31.823 -0.393 0.000 0.681 192 V HN 0.356 nan 8.190 nan 0.000 0.462 193 T N 1.414 115.931 114.554 -0.061 0.000 2.777 193 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 193 T C 1.975 176.744 174.700 0.115 0.000 1.040 193 T CA 1.727 63.849 62.100 0.036 0.000 1.141 193 T CB -0.937 67.924 68.868 -0.012 0.000 0.868 193 T HN 0.688 nan 8.240 nan 0.000 0.444 194 G N -0.188 108.677 108.800 0.108 0.000 2.442 194 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 194 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 194 G C 1.349 176.399 174.900 0.250 0.000 1.141 194 G CA 0.550 45.737 45.100 0.146 0.000 0.763 194 G HN 0.594 nan 8.290 nan 0.000 0.554 195 W N 1.090 122.490 121.300 0.166 0.000 2.355 195 W HA -0.079 4.581 4.660 -0.000 0.000 0.309 195 W C 2.212 178.869 176.519 0.229 0.000 1.206 195 W CA 1.544 59.033 57.345 0.239 0.000 1.284 195 W CB -0.007 29.640 29.460 0.312 0.000 1.145 195 W HN 0.298 nan 8.180 nan 0.000 0.502 196 D N -0.188 120.567 120.400 0.592 0.000 2.097 196 D HA -0.246 4.394 4.640 -0.000 0.000 0.195 196 D C 1.864 178.350 176.300 0.309 0.000 0.989 196 D CA 1.842 56.126 54.000 0.473 0.000 0.827 196 D CB -0.495 40.487 40.800 0.305 0.000 0.966 196 D HN -0.027 nan 8.370 nan 0.000 0.456 197 N N -0.197 118.631 118.700 0.214 0.000 2.061 197 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 197 N C 1.673 177.258 175.510 0.125 0.000 1.030 197 N CA 1.006 54.141 53.050 0.143 0.000 0.856 197 N CB -0.444 38.109 38.487 0.111 0.000 1.023 197 N HN 0.273 nan 8.380 nan 0.000 0.424 198 M N -0.270 119.406 119.600 0.127 0.000 2.159 198 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 198 M C 1.735 178.142 176.300 0.178 0.000 1.063 198 M CA 1.038 56.409 55.300 0.118 0.000 1.110 198 M CB -0.525 32.127 32.600 0.087 0.000 1.374 198 M HN 0.130 nan 8.290 nan 0.000 0.411 199 F N 0.584 120.519 119.950 -0.026 0.000 2.075 199 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 199 F C 2.301 178.166 175.800 0.109 0.000 1.113 199 F CA 2.369 60.367 58.000 -0.004 0.000 1.218 199 F CB -0.689 38.323 39.000 0.020 0.000 0.984 199 F HN 0.308 nan 8.300 nan 0.000 0.472 200 E N -0.084 120.231 120.200 0.193 0.000 2.065 200 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 200 E C 2.459 179.012 176.600 -0.079 0.000 1.016 200 E CA 1.491 57.918 56.400 0.044 0.000 0.818 200 E CB -0.898 28.842 29.700 0.068 0.000 0.749 200 E HN 0.542 nan 8.360 nan 0.000 0.453 201 G N 0.156 108.903 108.800 -0.088 0.000 2.491 201 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 201 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 201 G C 1.328 176.079 174.900 -0.248 0.000 1.180 201 G CA 1.087 46.047 45.100 -0.232 0.000 0.774 201 G HN 0.263 nan 8.290 nan 0.000 0.562 202 F N 1.758 121.523 119.950 -0.309 0.000 2.134 202 F HA 0.012 4.539 4.527 0.000 0.000 0.299 202 F C 3.104 178.810 175.800 -0.156 0.000 1.097 202 F CA 1.109 58.937 58.000 -0.287 0.000 1.264 202 F CB -0.492 38.138 39.000 -0.618 0.000 1.001 202 F HN 0.250 nan 8.300 nan 0.000 0.479 203 A N 0.025 122.778 122.820 -0.111 0.000 1.883 203 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 203 A C 2.339 179.955 177.584 0.053 0.000 1.186 203 A CA 1.668 53.712 52.037 0.012 0.000 0.624 203 A CB -0.503 18.409 19.000 -0.146 0.000 0.822 203 A HN 0.141 nan 8.150 nan 0.000 0.444 204 K N -0.621 119.745 120.400 -0.057 0.000 2.026 204 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 204 K C 2.117 178.650 176.600 -0.111 0.000 1.048 204 K CA 1.827 58.072 56.287 -0.070 0.000 0.929 204 K CB -1.249 31.172 32.500 -0.133 0.000 0.713 204 K HN 0.512 nan 8.250 nan 0.000 0.439 205 T N 0.829 115.241 114.554 -0.237 0.000 2.720 205 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 205 T C 1.578 175.973 174.700 -0.508 0.000 1.037 205 T CA 1.370 63.198 62.100 -0.455 0.000 1.144 205 T CB -0.191 68.221 68.868 -0.760 0.000 0.864 205 T HN 0.092 nan 8.240 nan 0.000 0.444 206 F N 0.762 120.667 119.950 -0.074 0.000 2.714 206 F HA 0.191 4.718 4.527 0.000 0.000 0.294 206 F C 2.233 178.031 175.800 -0.003 0.000 1.120 206 F CA 0.488 58.462 58.000 -0.045 0.000 1.398 206 F CB 0.220 39.191 39.000 -0.048 0.000 1.120 206 F HN 0.186 nan 8.300 nan 0.000 0.589 207 T N -4.448 110.231 114.554 0.207 0.000 3.144 207 T HA 0.427 4.777 4.350 -0.000 0.000 0.290 207 T C 1.530 176.382 174.700 0.253 0.000 0.966 207 T CA 0.425 62.668 62.100 0.239 0.000 0.907 207 T CB -0.034 69.074 68.868 0.400 0.000 1.152 207 T HN -0.003 nan 8.240 nan 0.000 0.532 208 A N 2.632 125.541 122.820 0.148 0.000 2.119 208 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 208 A C 1.751 179.407 177.584 0.120 0.000 1.153 208 A CA 1.276 53.386 52.037 0.122 0.000 0.692 208 A CB -0.416 18.611 19.000 0.045 0.000 0.799 208 A HN 0.668 nan 8.150 nan 0.000 0.458 209 D N -2.648 117.827 120.400 0.124 0.000 2.424 209 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 209 D C -0.081 176.314 176.300 0.158 0.000 1.150 209 D CA -0.502 53.563 54.000 0.107 0.000 0.831 209 D CB -0.605 40.234 40.800 0.066 0.000 0.981 209 D HN 0.319 nan 8.370 nan 0.000 0.500 210 Y N 1.556 121.889 120.300 0.056 0.000 2.299 210 Y HA 0.435 4.985 4.550 -0.000 0.000 0.326 210 Y C 0.231 176.157 175.900 0.043 0.000 1.164 210 Y CA -0.502 57.622 58.100 0.041 0.000 1.234 210 Y CB 0.948 39.430 38.460 0.036 0.000 1.219 210 Y HN 0.084 nan 8.280 nan 0.000 0.497 211 Q N 4.170 123.679 119.800 -0.484 0.000 2.465 211 Q HA 0.588 4.928 4.340 -0.000 0.000 0.237 211 Q C 0.004 175.694 176.000 -0.516 0.000 1.051 211 Q CA -0.282 55.320 55.803 -0.335 0.000 0.874 211 Q CB 0.304 28.905 28.738 -0.228 0.000 1.207 211 Q HN 1.072 nan 8.270 nan 0.000 0.508 212 G N -0.013 108.672 108.800 -0.193 0.000 2.477 212 G HA2 0.636 4.596 3.960 -0.000 0.000 0.304 212 G HA3 0.636 4.596 3.960 -0.000 0.000 0.304 212 G C -0.179 174.715 174.900 -0.010 0.000 1.175 212 G CA 0.402 45.477 45.100 -0.041 0.000 0.907 212 G HN 1.327 nan 8.290 nan 0.000 0.509 213 Q N 0.607 120.421 119.800 0.023 0.000 2.444 213 Q HA 0.615 4.955 4.340 -0.000 0.000 0.251 213 Q C -2.901 173.119 176.000 0.034 0.000 0.939 213 Q CA -1.668 54.147 55.803 0.020 0.000 0.740 213 Q CB 1.498 30.235 28.738 -0.001 0.000 1.308 213 Q HN 0.518 nan 8.270 nan 0.000 0.461 214 P HA 0.285 nan 4.420 nan 0.000 0.261 214 P C 1.154 178.472 177.300 0.030 0.000 1.183 214 P CA 2.305 65.432 63.100 0.044 0.000 0.761 214 P CB 0.926 32.665 31.700 0.065 0.000 0.785 215 G N 2.865 111.679 108.800 0.023 0.000 2.157 215 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.239 215 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.239 215 G C 1.120 176.028 174.900 0.013 0.000 0.982 215 G CA 0.394 45.504 45.100 0.017 0.000 0.650 215 G HN 0.578 nan 8.290 nan 0.000 0.527 216 K N -0.376 120.033 120.400 0.015 0.000 2.063 216 K HA 0.114 4.434 4.320 -0.000 0.000 0.208 216 K C 1.034 177.641 176.600 0.011 0.000 1.048 216 K CA 0.901 57.197 56.287 0.015 0.000 0.928 216 K CB -0.131 32.384 32.500 0.025 0.000 0.713 216 K HN 0.465 nan 8.250 nan 0.000 0.442 217 L N 2.118 123.345 121.223 0.006 0.000 2.309 217 L HA 0.294 4.634 4.340 -0.000 0.000 0.282 217 L C -2.087 174.782 176.870 -0.001 0.000 1.036 217 L CA -2.195 52.644 54.840 -0.002 0.000 0.806 217 L CB 1.588 43.639 42.059 -0.013 0.000 1.220 217 L HN 0.044 nan 8.230 nan 0.000 0.429 218 P HA 0.087 nan 4.420 nan 0.000 0.220 218 P C -1.045 176.256 177.300 0.001 0.000 1.778 218 P CA -0.106 62.996 63.100 0.002 0.000 0.912 218 P CB -0.307 31.394 31.700 0.002 0.000 1.861 219 K N 0.345 120.744 120.400 -0.001 0.000 2.378 219 K HA 0.646 4.966 4.320 -0.000 0.000 0.244 219 K C -1.173 175.431 176.600 0.007 0.000 1.039 219 K CA -1.201 55.086 56.287 -0.000 0.000 0.863 219 K CB 1.495 33.990 32.500 -0.008 0.000 1.326 219 K HN -0.049 nan 8.250 nan 0.000 0.460 220 L N 1.349 122.579 121.223 0.012 0.000 2.334 220 L HA 0.418 4.758 4.340 -0.000 0.000 0.273 220 L C -0.604 176.286 176.870 0.034 0.000 1.013 220 L CA -1.291 53.564 54.840 0.025 0.000 0.816 220 L CB 1.782 43.855 42.059 0.023 0.000 1.278 220 L HN 0.623 nan 8.230 nan 0.000 0.431 221 N N 2.801 121.537 118.700 0.060 0.000 2.473 221 N HA 0.606 5.346 4.740 -0.000 0.000 0.291 221 N C -0.987 174.583 175.510 0.099 0.000 1.083 221 N CA -0.351 52.754 53.050 0.092 0.000 0.951 221 N CB 2.066 40.643 38.487 0.150 0.000 1.164 221 N HN 0.385 nan 8.380 nan 0.000 0.480 222 L N 1.196 122.478 121.223 0.098 0.000 2.362 222 L HA 0.551 4.891 4.340 -0.000 0.000 0.275 222 L C -0.635 176.296 176.870 0.102 0.000 0.998 222 L CA -1.031 53.857 54.840 0.080 0.000 0.820 222 L CB 1.971 44.070 42.059 0.067 0.000 1.270 222 L HN 0.050 nan 8.230 nan 0.000 0.415 223 V N 1.044 120.991 119.914 0.054 0.000 2.378 223 V HA 0.192 4.312 4.120 -0.000 0.000 0.288 223 V C 0.931 177.006 176.094 -0.032 0.000 1.016 223 V CA -0.265 62.045 62.300 0.017 0.000 0.840 223 V CB 1.448 33.184 31.823 -0.145 0.000 0.994 223 V HN 0.964 nan 8.190 nan 0.000 0.431 224 T N 1.337 115.888 114.554 -0.004 0.000 2.896 224 T HA 0.282 4.632 4.350 -0.000 0.000 0.263 224 T C 1.172 175.700 174.700 -0.287 0.000 1.050 224 T CA 0.862 62.935 62.100 -0.044 0.000 1.140 224 T CB -0.113 68.697 68.868 -0.097 0.000 0.877 224 T HN 1.692 nan 8.240 nan 0.000 0.457 225 G N 1.526 109.784 108.800 -0.903 0.000 2.697 225 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.240 225 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.240 225 G C -0.438 173.589 174.900 -1.456 0.000 1.346 225 G CA -0.316 43.740 45.100 -1.741 0.000 0.887 225 G HN 0.724 nan 8.290 nan 0.000 0.569 226 F N 1.982 121.181 119.950 -1.252 0.000 2.506 226 F HA 0.532 5.059 4.527 -0.000 0.000 0.369 226 F C 0.433 176.055 175.800 -0.297 0.000 1.114 226 F CA 0.682 58.298 58.000 -0.641 0.000 1.121 226 F CB 0.613 39.482 39.000 -0.220 0.000 1.104 226 F HN 0.672 nan 8.300 nan 0.000 0.564 227 E N 3.298 123.255 120.200 -0.404 0.000 2.291 227 E HA 0.253 4.603 4.350 -0.000 0.000 0.276 227 E C -0.208 176.286 176.600 -0.176 0.000 0.896 227 E CA -0.362 55.870 56.400 -0.282 0.000 0.774 227 E CB 1.381 30.783 29.700 -0.497 0.000 1.227 227 E HN 0.466 nan 8.360 nan 0.000 0.413 228 T N 0.645 115.087 114.554 -0.187 0.000 3.132 228 T HA 0.286 4.636 4.350 -0.000 0.000 0.274 228 T C -0.204 174.522 174.700 0.042 0.000 1.011 228 T CA -0.125 61.943 62.100 -0.053 0.000 0.899 228 T CB -0.361 68.245 68.868 -0.437 0.000 1.089 228 T HN 0.271 nan 8.240 nan 0.000 0.543 229 Y N 1.682 122.021 120.300 0.065 0.000 2.367 229 Y HA 0.506 5.056 4.550 0.000 0.000 0.342 229 Y C 1.379 177.358 175.900 0.132 0.000 0.979 229 Y CA -1.480 56.651 58.100 0.052 0.000 1.161 229 Y CB 0.967 39.336 38.460 -0.150 0.000 1.155 229 Y HN -0.014 nan 8.280 nan 0.000 0.503 230 L N 2.270 123.716 121.223 0.371 0.000 2.042 230 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 230 L C 2.399 179.411 176.870 0.236 0.000 1.076 230 L CA 1.559 56.596 54.840 0.328 0.000 0.749 230 L CB -0.657 41.532 42.059 0.217 0.000 0.893 230 L HN 0.947 nan 8.230 nan 0.000 0.432 231 G N 0.034 108.911 108.800 0.129 0.000 2.485 231 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 231 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 231 G C 1.379 176.250 174.900 -0.048 0.000 1.115 231 G CA 0.933 46.052 45.100 0.032 0.000 0.751 231 G HN 0.355 nan 8.290 nan 0.000 0.567 232 N N 0.127 118.707 118.700 -0.201 0.000 2.331 232 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 232 N C 1.727 177.025 175.510 -0.354 0.000 1.019 232 N CA 0.528 53.306 53.050 -0.453 0.000 0.881 232 N CB -0.347 37.441 38.487 -1.164 0.000 0.972 232 N HN 0.393 nan 8.380 nan 0.000 0.435 233 F N 1.302 121.169 119.950 -0.137 0.000 2.163 233 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 233 F C 2.322 178.100 175.800 -0.036 0.000 1.094 233 F CA 0.803 58.760 58.000 -0.072 0.000 1.290 233 F CB -0.136 38.813 39.000 -0.084 0.000 1.017 233 F HN -0.072 nan 8.300 nan 0.000 0.483 234 R N -0.197 120.392 120.500 0.148 0.000 2.075 234 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 234 R C 2.261 178.588 176.300 0.045 0.000 1.126 234 R CA 1.167 57.314 56.100 0.078 0.000 0.963 234 R CB -1.079 29.256 30.300 0.057 0.000 0.858 234 R HN 0.158 nan 8.270 nan 0.000 0.435 235 V N 1.737 121.666 119.914 0.025 0.000 2.324 235 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 235 V C 2.096 178.204 176.094 0.023 0.000 1.060 235 V CA 1.802 64.112 62.300 0.017 0.000 1.042 235 V CB -0.259 31.569 31.823 0.008 0.000 0.650 235 V HN 0.286 nan 8.190 nan 0.000 0.450 236 L N -0.607 120.641 121.223 0.041 0.000 2.046 236 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 236 L C 2.699 179.589 176.870 0.034 0.000 1.077 236 L CA 1.684 56.550 54.840 0.044 0.000 0.747 236 L CB -0.712 41.391 42.059 0.073 0.000 0.896 236 L HN 0.260 nan 8.230 nan 0.000 0.432 237 K N -0.332 120.094 120.400 0.043 0.000 2.097 237 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 237 K C 2.235 178.848 176.600 0.021 0.000 1.050 237 K CA 0.678 56.985 56.287 0.033 0.000 0.938 237 K CB -0.243 32.279 32.500 0.038 0.000 0.718 237 K HN 0.183 nan 8.250 nan 0.000 0.442 238 R N 1.362 121.875 120.500 0.021 0.000 2.081 238 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 238 R C 2.148 178.456 176.300 0.013 0.000 1.131 238 R CA 1.301 57.410 56.100 0.016 0.000 0.960 238 R CB -0.217 30.094 30.300 0.017 0.000 0.856 238 R HN 0.203 nan 8.270 nan 0.000 0.436 239 M N -0.201 119.403 119.600 0.007 0.000 2.175 239 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 239 M C 2.288 178.589 176.300 0.001 0.000 1.063 239 M CA 1.355 56.655 55.300 -0.001 0.000 1.119 239 M CB -0.186 32.397 32.600 -0.029 0.000 1.377 239 M HN 0.055 nan 8.290 nan 0.000 0.415 240 M N 0.174 119.776 119.600 0.002 0.000 2.132 240 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 240 M C 2.587 178.891 176.300 0.006 0.000 1.065 240 M CA 2.281 57.583 55.300 0.004 0.000 1.122 240 M CB -1.731 30.873 32.600 0.007 0.000 1.365 240 M HN 0.424 nan 8.290 nan 0.000 0.411 241 E N 0.553 120.757 120.200 0.008 0.000 2.118 241 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 241 E C 1.824 178.429 176.600 0.009 0.000 0.992 241 E CA 1.852 58.257 56.400 0.008 0.000 0.804 241 E CB -0.999 28.706 29.700 0.008 0.000 0.741 241 E HN 0.750 nan 8.360 nan 0.000 0.458 242 Q N -1.227 118.580 119.800 0.012 0.000 2.172 242 Q HA 0.025 4.365 4.340 -0.000 0.000 0.200 242 Q C 2.317 178.325 176.000 0.014 0.000 0.964 242 Q CA 1.317 57.129 55.803 0.015 0.000 0.855 242 Q CB 0.034 28.785 28.738 0.022 0.000 0.918 242 Q HN 0.429 nan 8.270 nan 0.000 0.444 243 M N -0.735 118.872 119.600 0.012 0.000 2.557 243 M HA 0.051 4.531 4.480 -0.000 0.000 0.259 243 M C 0.939 177.243 176.300 0.007 0.000 1.086 243 M CA 0.835 56.141 55.300 0.010 0.000 1.096 243 M CB -0.622 31.981 32.600 0.006 0.000 1.424 243 M HN 0.243 nan 8.290 nan 0.000 0.488 244 A N 0.330 123.154 122.820 0.007 0.000 2.869 244 A HA -0.113 4.207 4.320 -0.000 0.000 0.280 244 A C 0.108 177.694 177.584 0.004 0.000 1.458 244 A CA 0.473 52.513 52.037 0.005 0.000 0.776 244 A CB -2.232 16.771 19.000 0.005 0.000 1.028 244 A HN 0.247 nan 8.150 nan 0.000 0.547 245 V N 0.698 120.615 119.914 0.004 0.000 2.304 245 V HA 0.382 4.502 4.120 -0.000 0.000 0.278 245 V C -1.897 174.199 176.094 0.003 0.000 1.018 245 V CA -1.447 60.855 62.300 0.003 0.000 0.814 245 V CB 1.214 33.039 31.823 0.003 0.000 1.021 245 V HN 0.390 nan 8.190 nan 0.000 0.440 246 P HA 0.019 nan 4.420 nan 0.000 0.267 246 P C -0.386 176.916 177.300 0.003 0.000 1.175 246 P CA 0.347 63.447 63.100 0.000 0.000 0.763 246 P CB 0.255 31.953 31.700 -0.003 0.000 0.795 247 C N 0.876 120.178 119.300 0.003 0.000 3.181 247 C HA 0.636 5.096 4.460 -0.000 0.000 0.362 247 C C -1.146 173.850 174.990 0.010 0.000 1.125 247 C CA -0.269 58.755 59.018 0.010 0.000 1.265 247 C CB 0.960 28.709 27.740 0.015 0.000 1.632 247 C HN 0.491 nan 8.230 nan 0.000 0.525 248 S N 2.949 118.659 115.700 0.017 0.000 2.502 248 S HA 0.732 5.202 4.470 -0.000 0.000 0.304 248 S C -0.854 173.771 174.600 0.043 0.000 1.097 248 S CA -0.407 57.801 58.200 0.015 0.000 1.045 248 S CB 1.286 64.487 63.200 0.000 0.000 1.019 248 S HN 0.734 nan 8.310 nan 0.000 0.481 249 L N 3.467 124.714 121.223 0.040 0.000 2.331 249 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 249 L C -0.416 176.479 176.870 0.042 0.000 1.106 249 L CA 0.240 55.125 54.840 0.075 0.000 0.824 249 L CB 0.388 42.511 42.059 0.106 0.000 1.142 249 L HN 0.558 nan 8.230 nan 0.000 0.443 250 L N 3.917 125.213 121.223 0.121 0.000 2.288 250 L HA 0.408 4.748 4.340 -0.000 0.000 0.283 250 L C 0.271 177.182 176.870 0.068 0.000 1.072 250 L CA -0.382 54.551 54.840 0.155 0.000 0.862 250 L CB 0.447 42.806 42.059 0.500 0.000 1.245 250 L HN 0.786 nan 8.230 nan 0.000 0.432 251 S N 2.591 117.995 115.700 -0.493 0.000 3.225 251 S HA -0.132 4.338 4.470 -0.000 0.000 0.812 251 S C -0.955 173.509 174.600 -0.227 0.000 0.610 251 S CA -0.410 57.401 58.200 -0.648 0.000 1.518 251 S CB -0.308 62.764 63.200 -0.214 0.000 1.023 251 S HN 0.853 nan 8.310 nan 0.000 0.891 252 D N 5.826 125.983 120.400 -0.406 0.000 2.358 252 D HA 0.440 5.080 4.640 -0.000 0.000 0.253 252 D C -1.764 174.186 176.300 -0.584 0.000 1.288 252 D CA -1.632 52.107 54.000 -0.434 0.000 0.950 252 D CB 1.559 42.214 40.800 -0.242 0.000 1.197 252 D HN 0.298 nan 8.370 nan 0.000 0.550 253 P HA 0.042 nan 4.420 nan 0.000 0.257 253 P C 0.824 177.759 177.300 -0.607 0.000 1.325 253 P CA 0.037 62.772 63.100 -0.609 0.000 0.850 253 P CB 0.183 31.524 31.700 -0.599 0.000 1.324 254 S N -0.786 114.523 115.700 -0.653 0.000 2.453 254 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 254 S C 1.707 176.169 174.600 -0.229 0.000 1.005 254 S CA 0.607 58.566 58.200 -0.402 0.000 0.949 254 S CB -0.536 62.505 63.200 -0.265 0.000 0.774 254 S HN 0.027 nan 8.310 nan 0.000 0.510 255 E N 0.902 120.976 120.200 -0.210 0.000 2.086 255 E HA 0.080 4.430 4.350 -0.000 0.000 0.190 255 E C 2.198 178.718 176.600 -0.134 0.000 0.975 255 E CA 0.752 57.071 56.400 -0.135 0.000 0.813 255 E CB -0.610 29.026 29.700 -0.106 0.000 0.768 255 E HN 0.427 nan 8.360 nan 0.000 0.457 256 V N 1.056 120.868 119.914 -0.169 0.000 2.809 256 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 256 V C 1.826 177.808 176.094 -0.186 0.000 1.080 256 V CA 0.879 63.088 62.300 -0.151 0.000 1.102 256 V CB -0.148 31.594 31.823 -0.136 0.000 0.705 256 V HN 0.148 nan 8.190 nan 0.000 0.475 257 L N -0.167 120.892 121.223 -0.272 0.000 2.629 257 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 257 L C 0.462 177.250 176.870 -0.137 0.000 1.151 257 L CA 0.397 55.043 54.840 -0.324 0.000 0.924 257 L CB 0.129 41.781 42.059 -0.679 0.000 1.137 257 L HN 0.254 nan 8.230 nan 0.000 0.457 258 D N -0.056 120.298 120.400 -0.076 0.000 3.100 258 D HA 0.047 4.687 4.640 -0.000 0.000 0.350 258 D C 0.354 176.653 176.300 -0.000 0.000 1.310 258 D CA -0.140 53.863 54.000 0.006 0.000 0.741 258 D CB 0.450 41.266 40.800 0.026 0.000 1.248 258 D HN 0.033 nan 8.370 nan 0.000 0.527 259 T N -0.869 113.684 114.554 -0.001 0.000 2.868 259 T HA 0.571 4.921 4.350 -0.000 0.000 0.292 259 T C -1.999 172.720 174.700 0.031 0.000 1.028 259 T CA -1.170 60.933 62.100 0.004 0.000 1.059 259 T CB 1.229 70.096 68.868 -0.003 0.000 0.991 259 T HN 0.025 nan 8.240 nan 0.000 0.531 260 P HA 0.384 nan 4.420 nan 0.000 0.278 260 P C -0.952 176.382 177.300 0.057 0.000 1.238 260 P CA -0.671 62.453 63.100 0.040 0.000 0.794 260 P CB 0.717 32.438 31.700 0.035 0.000 0.955 261 A N 2.576 125.427 122.820 0.052 0.000 2.807 261 A HA 0.267 4.587 4.320 -0.000 0.000 0.307 261 A C 0.394 178.003 177.584 0.042 0.000 1.532 261 A CA -0.331 51.737 52.037 0.052 0.000 1.215 261 A CB -0.862 18.165 19.000 0.045 0.000 1.127 261 A HN 0.570 nan 8.150 nan 0.000 0.543 262 D N 0.590 121.023 120.400 0.055 0.000 2.571 262 D HA 0.307 4.947 4.640 -0.000 0.000 0.239 262 D C 0.911 177.202 176.300 -0.015 0.000 1.267 262 D CA 0.434 54.466 54.000 0.054 0.000 0.823 262 D CB -0.179 40.687 40.800 0.111 0.000 1.056 262 D HN 0.918 nan 8.370 nan 0.000 0.494 263 G N 0.042 108.786 108.800 -0.093 0.000 2.213 263 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.226 263 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.226 263 G C -0.217 174.407 174.900 -0.460 0.000 0.992 263 G CA -0.184 44.745 45.100 -0.284 0.000 0.632 263 G HN 0.579 nan 8.290 nan 0.000 0.511 264 H N -1.089 118.014 119.070 0.054 0.000 2.529 264 H HA 0.568 5.124 4.556 -0.000 0.000 0.348 264 H C -0.783 174.607 175.328 0.104 0.000 1.079 264 H CA -0.830 55.256 56.048 0.064 0.000 1.198 264 H CB 1.475 31.253 29.762 0.026 0.000 1.521 264 H HN 0.232 nan 8.280 nan 0.000 0.514 265 Y N 3.146 123.507 120.300 0.102 0.000 2.365 265 Y HA 0.313 4.863 4.550 -0.000 0.000 0.340 265 Y C -0.377 175.549 175.900 0.043 0.000 1.016 265 Y CA -0.832 57.298 58.100 0.050 0.000 1.196 265 Y CB 0.463 38.937 38.460 0.024 0.000 1.167 265 Y HN 0.542 nan 8.280 nan 0.000 0.509 266 R N 7.755 127.912 120.500 -0.570 0.000 2.275 266 R HA 0.213 4.553 4.340 -0.000 0.000 0.326 266 R C 1.067 176.836 176.300 -0.885 0.000 0.973 266 R CA -0.415 55.352 56.100 -0.557 0.000 0.854 266 R CB 1.173 31.334 30.300 -0.232 0.000 1.156 266 R HN 0.960 nan 8.270 nan 0.000 0.487 267 M N 2.342 121.333 119.600 -1.016 0.000 2.086 267 M HA -0.065 4.415 4.480 -0.000 0.000 0.261 267 M C -0.467 175.470 176.300 -0.605 0.000 1.067 267 M CA 1.810 56.584 55.300 -0.877 0.000 1.116 267 M CB 0.344 32.423 32.600 -0.868 0.000 1.348 267 M HN 0.369 nan 8.290 nan 0.000 0.407 268 Y N -0.327 119.876 120.300 -0.160 0.000 2.360 268 Y HA 0.560 5.110 4.550 -0.000 0.000 0.337 268 Y C -0.359 175.477 175.900 -0.107 0.000 1.039 268 Y CA -1.270 56.772 58.100 -0.096 0.000 1.109 268 Y CB 1.781 40.210 38.460 -0.052 0.000 1.201 268 Y HN 0.021 nan 8.280 nan 0.000 0.458 269 S N 1.781 117.513 115.700 0.054 0.000 2.616 269 S HA 0.576 5.046 4.470 -0.000 0.000 0.276 269 S C -0.132 174.444 174.600 -0.040 0.000 1.159 269 S CA 0.078 58.271 58.200 -0.012 0.000 1.000 269 S CB 0.137 63.307 63.200 -0.050 0.000 1.117 269 S HN 1.513 nan 8.310 nan 0.000 0.464 270 G N 3.351 112.125 108.800 -0.042 0.000 2.539 270 G HA2 0.342 4.302 3.960 -0.000 0.000 0.256 270 G HA3 0.342 4.302 3.960 -0.000 0.000 0.256 270 G C 0.924 175.773 174.900 -0.085 0.000 1.233 270 G CA 0.439 45.498 45.100 -0.069 0.000 0.936 270 G HN 2.575 nan 8.290 nan 0.000 0.571 271 G N -3.239 105.482 108.800 -0.132 0.000 2.730 271 G HA2 0.352 4.312 3.960 -0.000 0.000 0.686 271 G HA3 0.352 4.312 3.960 -0.000 0.000 0.686 271 G C 0.006 174.806 174.900 -0.166 0.000 1.343 271 G CA 0.406 45.398 45.100 -0.179 0.000 0.826 271 G HN 2.121 nan 8.290 nan 0.000 0.582 272 T N 1.879 116.278 114.554 -0.258 0.000 2.867 272 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 272 T C 1.411 176.066 174.700 -0.075 0.000 0.989 272 T CA 0.871 62.850 62.100 -0.201 0.000 1.159 272 T CB 0.435 69.067 68.868 -0.392 0.000 0.928 272 T HN 1.426 nan 8.240 nan 0.000 0.538 273 T N 1.878 116.391 114.554 -0.068 0.000 2.828 273 T HA 0.169 4.519 4.350 -0.000 0.000 0.290 273 T C 1.353 175.991 174.700 -0.104 0.000 1.019 273 T CA -0.675 61.385 62.100 -0.067 0.000 1.031 273 T CB 0.855 69.684 68.868 -0.065 0.000 1.001 273 T HN 0.585 nan 8.240 nan 0.000 0.531 274 Q N -0.228 119.481 119.800 -0.152 0.000 2.084 274 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 274 Q C 2.395 178.290 176.000 -0.175 0.000 0.978 274 Q CA 1.592 57.232 55.803 -0.272 0.000 0.844 274 Q CB -0.235 28.408 28.738 -0.158 0.000 0.898 274 Q HN 0.791 nan 8.270 nan 0.000 0.426 275 Q N 1.312 121.049 119.800 -0.106 0.000 2.112 275 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 275 Q C 1.425 177.359 176.000 -0.110 0.000 0.987 275 Q CA 1.891 57.638 55.803 -0.093 0.000 0.858 275 Q CB -0.015 28.684 28.738 -0.065 0.000 0.905 275 Q HN 0.391 nan 8.270 nan 0.000 0.420 276 E N -0.915 119.228 120.200 -0.095 0.000 2.110 276 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 276 E C 1.794 178.335 176.600 -0.097 0.000 0.988 276 E CA 1.312 57.661 56.400 -0.085 0.000 0.804 276 E CB -0.143 29.523 29.700 -0.057 0.000 0.745 276 E HN 0.353 nan 8.360 nan 0.000 0.458 277 M N 0.959 120.498 119.600 -0.102 0.000 2.236 277 M HA -0.049 4.431 4.480 -0.000 0.000 0.266 277 M C 1.666 177.889 176.300 -0.129 0.000 1.070 277 M CA 1.608 56.870 55.300 -0.063 0.000 1.137 277 M CB 0.259 32.789 32.600 -0.116 0.000 1.378 277 M HN -0.216 nan 8.290 nan 0.000 0.426 278 K N 0.217 120.517 120.400 -0.167 0.000 2.097 278 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 278 K C 1.528 177.827 176.600 -0.501 0.000 1.050 278 K CA 1.655 57.793 56.287 -0.249 0.000 0.938 278 K CB -0.215 32.179 32.500 -0.177 0.000 0.718 278 K HN 0.627 nan 8.250 nan 0.000 0.442 279 E N 0.341 120.317 120.200 -0.372 0.000 2.489 279 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 279 E C 1.551 177.933 176.600 -0.363 0.000 1.057 279 E CA 0.390 56.565 56.400 -0.376 0.000 0.866 279 E CB 0.164 29.746 29.700 -0.196 0.000 0.916 279 E HN 0.168 nan 8.360 nan 0.000 0.500 280 A N 2.795 125.346 122.820 -0.449 0.000 1.903 280 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 280 A C -0.095 177.012 177.584 -0.795 0.000 1.191 280 A CA 1.563 53.226 52.037 -0.623 0.000 0.638 280 A CB -1.531 16.913 19.000 -0.927 0.000 0.823 280 A HN 0.310 nan 8.150 nan 0.000 0.451 281 P HA -0.083 nan 4.420 nan 0.000 0.221 281 P C 0.247 177.451 177.300 -0.160 0.000 1.145 281 P CA 1.321 64.044 63.100 -0.628 0.000 0.795 281 P CB -0.086 31.449 31.700 -0.275 0.000 0.775 282 D N -1.155 119.187 120.400 -0.097 0.000 2.355 282 D HA 0.097 4.737 4.640 -0.000 0.000 0.218 282 D C 1.034 177.316 176.300 -0.030 0.000 1.004 282 D CA 0.198 54.197 54.000 -0.003 0.000 0.880 282 D CB -0.452 40.375 40.800 0.044 0.000 0.911 282 D HN 0.075 nan 8.370 nan 0.000 0.528 283 A N 0.323 123.099 122.820 -0.073 0.000 2.429 283 A HA 0.106 4.426 4.320 -0.000 0.000 0.242 283 A C 1.649 179.238 177.584 0.007 0.000 1.088 283 A CA -0.264 51.754 52.037 -0.031 0.000 0.784 283 A CB 0.180 19.161 19.000 -0.032 0.000 1.038 283 A HN 0.046 nan 8.150 nan 0.000 0.501 284 I N -0.545 120.035 120.570 0.017 0.000 2.099 284 I HA -0.140 4.030 4.170 -0.000 0.000 0.239 284 I C 0.837 176.985 176.117 0.052 0.000 1.066 284 I CA 2.061 63.379 61.300 0.030 0.000 1.324 284 I CB -0.142 37.872 38.000 0.023 0.000 1.037 284 I HN 0.775 nan 8.210 nan 0.000 0.401 285 D N -1.853 118.583 120.400 0.060 0.000 2.639 285 D HA 0.306 4.946 4.640 -0.000 0.000 0.271 285 D C -1.297 175.070 176.300 0.112 0.000 1.254 285 D CA -0.369 53.687 54.000 0.092 0.000 0.810 285 D CB 1.786 42.625 40.800 0.066 0.000 1.351 285 D HN -0.200 nan 8.370 nan 0.000 0.427 286 T N 1.363 116.013 114.554 0.160 0.000 2.812 286 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 286 T C -0.512 174.250 174.700 0.103 0.000 0.990 286 T CA -0.567 61.640 62.100 0.178 0.000 0.960 286 T CB 0.642 69.714 68.868 0.340 0.000 0.948 286 T HN 0.177 nan 8.240 nan 0.000 0.438 287 L N 3.913 125.172 121.223 0.061 0.000 2.282 287 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 287 L C -0.392 176.467 176.870 -0.018 0.000 1.033 287 L CA -0.912 53.932 54.840 0.005 0.000 0.807 287 L CB 1.133 43.180 42.059 -0.019 0.000 1.209 287 L HN 0.427 nan 8.230 nan 0.000 0.423 288 L N 5.111 126.305 121.223 -0.049 0.000 2.288 288 L HA 0.252 4.592 4.340 -0.000 0.000 0.283 288 L C 0.986 177.786 176.870 -0.118 0.000 1.072 288 L CA -0.228 54.564 54.840 -0.081 0.000 0.862 288 L CB 0.863 42.871 42.059 -0.084 0.000 1.245 288 L HN 0.671 nan 8.230 nan 0.000 0.432 289 L N 2.152 123.294 121.223 -0.136 0.000 2.478 289 L HA 0.024 4.364 4.340 -0.000 0.000 0.223 289 L C 0.672 177.404 176.870 -0.230 0.000 1.140 289 L CA 0.763 55.465 54.840 -0.229 0.000 0.842 289 L CB -0.177 41.709 42.059 -0.287 0.000 0.953 289 L HN 0.660 nan 8.230 nan 0.000 0.452 290 Q N 0.422 120.148 119.800 -0.123 0.000 2.523 290 Q HA 0.192 4.532 4.340 -0.000 0.000 0.251 290 Q C -1.721 174.266 176.000 -0.022 0.000 1.033 290 Q CA -1.674 54.109 55.803 -0.033 0.000 0.746 290 Q CB 1.770 30.527 28.738 0.031 0.000 1.189 290 Q HN -0.038 nan 8.270 nan 0.000 0.508 291 P HA -0.172 nan 4.420 nan 0.000 0.216 291 P C 0.526 177.723 177.300 -0.171 0.000 1.153 291 P CA 1.202 64.206 63.100 -0.160 0.000 0.848 291 P CB 0.146 31.680 31.700 -0.276 0.000 0.787 292 W N 1.390 122.720 121.300 0.049 0.000 2.374 292 W HA -0.098 4.561 4.660 -0.000 0.000 0.288 292 W C 2.625 179.157 176.519 0.021 0.000 1.218 292 W CA 1.331 58.720 57.345 0.073 0.000 1.245 292 W CB -0.918 28.636 29.460 0.157 0.000 1.126 292 W HN 0.188 nan 8.180 nan 0.000 0.545 293 Q N -0.228 119.675 119.800 0.172 0.000 2.384 293 Q HA 0.113 4.453 4.340 -0.000 0.000 0.207 293 Q C 0.871 176.908 176.000 0.062 0.000 0.904 293 Q CA 0.458 56.315 55.803 0.090 0.000 0.933 293 Q CB -0.411 28.348 28.738 0.036 0.000 1.077 293 Q HN 0.261 nan 8.270 nan 0.000 0.522 294 L N 2.194 123.429 121.223 0.019 0.000 2.796 294 L HA 0.221 4.561 4.340 -0.000 0.000 0.235 294 L C 0.854 177.726 176.870 0.004 0.000 1.344 294 L CA -0.257 54.591 54.840 0.013 0.000 1.245 294 L CB 0.048 42.074 42.059 -0.055 0.000 1.556 294 L HN 0.255 nan 8.230 nan 0.000 0.423 295 L N -0.334 120.908 121.223 0.030 0.000 2.007 295 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 295 L C 2.354 179.238 176.870 0.024 0.000 1.073 295 L CA 1.317 56.166 54.840 0.015 0.000 0.744 295 L CB -0.315 41.766 42.059 0.037 0.000 0.898 295 L HN 0.405 nan 8.230 nan 0.000 0.435 296 K N -0.196 120.239 120.400 0.057 0.000 2.148 296 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 296 K C 2.310 178.949 176.600 0.065 0.000 1.050 296 K CA 1.267 57.589 56.287 0.059 0.000 0.942 296 K CB -0.091 32.457 32.500 0.081 0.000 0.724 296 K HN 0.138 nan 8.250 nan 0.000 0.446 297 S N 1.487 117.250 115.700 0.105 0.000 2.359 297 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 297 S C 1.891 176.487 174.600 -0.007 0.000 1.035 297 S CA 1.460 59.718 58.200 0.098 0.000 1.018 297 S CB -0.161 63.032 63.200 -0.013 0.000 0.876 297 S HN 0.296 nan 8.310 nan 0.000 0.448 298 K N 1.221 121.607 120.400 -0.024 0.000 2.103 298 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 298 K C 1.985 178.555 176.600 -0.050 0.000 1.048 298 K CA 1.277 57.539 56.287 -0.042 0.000 0.930 298 K CB -0.048 32.421 32.500 -0.051 0.000 0.716 298 K HN 0.235 nan 8.250 nan 0.000 0.444 299 K N 0.020 120.392 120.400 -0.045 0.000 2.057 299 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 299 K C 2.011 178.544 176.600 -0.110 0.000 1.050 299 K CA 1.344 57.599 56.287 -0.054 0.000 0.935 299 K CB -0.096 32.384 32.500 -0.033 0.000 0.715 299 K HN -0.023 nan 8.250 nan 0.000 0.439 300 V N 1.374 121.184 119.914 -0.173 0.000 2.282 300 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 300 V C 2.339 178.112 176.094 -0.535 0.000 1.057 300 V CA 1.716 63.778 62.300 -0.396 0.000 1.032 300 V CB -0.425 31.122 31.823 -0.461 0.000 0.645 300 V HN 0.093 nan 8.190 nan 0.000 0.447 301 V N -0.624 119.076 119.914 -0.356 0.000 2.295 301 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 301 V C 2.374 178.489 176.094 0.034 0.000 1.049 301 V CA 2.242 64.469 62.300 -0.122 0.000 1.024 301 V CB -0.678 31.174 31.823 0.049 0.000 0.648 301 V HN 0.594 nan 8.190 nan 0.000 0.447 302 Q N -0.604 119.192 119.800 -0.006 0.000 2.089 302 Q HA -0.119 4.221 4.340 -0.000 0.000 0.195 302 Q C 2.249 178.267 176.000 0.030 0.000 0.963 302 Q CA 1.391 57.212 55.803 0.031 0.000 0.834 302 Q CB -0.027 28.717 28.738 0.011 0.000 0.906 302 Q HN 0.701 nan 8.270 nan 0.000 0.452 303 E N -0.051 120.142 120.200 -0.011 0.000 2.190 303 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 303 E C 1.845 178.455 176.600 0.017 0.000 0.978 303 E CA 0.639 57.040 56.400 0.001 0.000 0.839 303 E CB 0.196 29.888 29.700 -0.014 0.000 0.787 303 E HN 0.301 nan 8.360 nan 0.000 0.473 304 M N -0.787 118.797 119.600 -0.026 0.000 2.429 304 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 304 M C 1.267 177.733 176.300 0.277 0.000 1.120 304 M CA 0.826 56.151 55.300 0.042 0.000 1.173 304 M CB 0.230 32.756 32.600 -0.123 0.000 1.343 304 M HN 0.154 nan 8.290 nan 0.000 0.464 305 W N 0.690 122.040 121.300 0.083 0.000 2.996 305 W HA 0.247 4.907 4.660 -0.000 0.000 0.270 305 W C 0.279 176.841 176.519 0.072 0.000 1.280 305 W CA -0.151 57.249 57.345 0.093 0.000 1.549 305 W CB -1.084 28.440 29.460 0.107 0.000 1.079 305 W HN 0.401 nan 8.180 nan 0.000 0.629 306 N N -0.142 118.702 118.700 0.241 0.000 2.741 306 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 306 N C -0.010 175.587 175.510 0.146 0.000 1.115 306 N CA 0.589 53.730 53.050 0.152 0.000 0.724 306 N CB -1.301 37.261 38.487 0.125 0.000 1.090 306 N HN 0.256 nan 8.380 nan 0.000 0.558 307 Q N -0.576 119.336 119.800 0.187 0.000 2.199 307 Q HA 0.304 4.644 4.340 -0.000 0.000 0.232 307 Q C -1.611 174.452 176.000 0.106 0.000 0.969 307 Q CA -1.859 54.037 55.803 0.155 0.000 0.925 307 Q CB 0.800 29.669 28.738 0.219 0.000 1.198 307 Q HN -0.039 nan 8.270 nan 0.000 0.494 308 P HA -0.112 nan 4.420 nan 0.000 0.217 308 P C -0.336 176.989 177.300 0.041 0.000 1.151 308 P CA 1.396 64.526 63.100 0.050 0.000 0.828 308 P CB 0.094 31.817 31.700 0.038 0.000 0.788 309 A N -1.271 121.582 122.820 0.056 0.000 2.610 309 A HA -0.171 4.149 4.320 -0.000 0.000 0.299 309 A C 0.399 177.984 177.584 0.000 0.000 1.487 309 A CA 0.722 52.778 52.037 0.031 0.000 0.743 309 A CB -2.808 16.202 19.000 0.017 0.000 1.070 309 A HN 0.240 nan 8.150 nan 0.000 0.439 310 T N 1.955 116.511 114.554 0.003 0.000 2.822 310 T HA 0.174 4.524 4.350 -0.000 0.000 0.288 310 T C 0.486 175.165 174.700 -0.036 0.000 0.991 310 T CA 0.604 62.696 62.100 -0.014 0.000 1.176 310 T CB 0.131 68.993 68.868 -0.009 0.000 0.951 310 T HN 0.584 nan 8.240 nan 0.000 0.526 311 E N 1.941 122.112 120.200 -0.048 0.000 2.414 311 E HA 0.296 4.646 4.350 -0.000 0.000 0.263 311 E C 0.253 176.809 176.600 -0.073 0.000 1.000 311 E CA -0.244 56.113 56.400 -0.072 0.000 0.914 311 E CB 0.671 30.323 29.700 -0.081 0.000 0.948 311 E HN 0.517 nan 8.360 nan 0.000 0.444 312 V N -1.217 118.641 119.914 -0.093 0.000 3.078 312 V HA 0.829 4.949 4.120 -0.000 0.000 0.311 312 V C -0.348 175.674 176.094 -0.120 0.000 1.138 312 V CA -1.141 61.097 62.300 -0.103 0.000 1.007 312 V CB 1.697 33.451 31.823 -0.115 0.000 1.045 312 V HN 0.710 nan 8.190 nan 0.000 0.432 313 A N 2.258 125.004 122.820 -0.123 0.000 2.269 313 A HA 0.790 5.110 4.320 -0.000 0.000 0.319 313 A C 0.019 177.480 177.584 -0.206 0.000 1.110 313 A CA -0.774 51.194 52.037 -0.115 0.000 0.847 313 A CB 0.759 19.709 19.000 -0.083 0.000 1.161 313 A HN 1.380 nan 8.150 nan 0.000 0.497 314 I N 1.533 121.982 120.570 -0.201 0.000 2.775 314 I HA 0.115 4.285 4.170 -0.000 0.000 0.290 314 I C -1.656 174.154 176.117 -0.512 0.000 1.203 314 I CA -1.459 59.584 61.300 -0.428 0.000 1.433 314 I CB 1.218 39.049 38.000 -0.282 0.000 1.354 314 I HN 0.339 nan 8.210 nan 0.000 0.579 315 P HA 0.160 nan 4.420 nan 0.000 0.212 315 P C -0.739 176.259 177.300 -0.503 0.000 1.816 315 P CA 0.109 62.882 63.100 -0.545 0.000 0.944 315 P CB -0.134 31.262 31.700 -0.506 0.000 1.896 316 L N 0.960 121.938 121.223 -0.408 0.000 2.287 316 L HA 0.707 5.047 4.340 -0.000 0.000 0.287 316 L C 0.346 176.966 176.870 -0.417 0.000 1.022 316 L CA 0.427 55.088 54.840 -0.297 0.000 0.814 316 L CB 0.871 42.847 42.059 -0.139 0.000 1.217 316 L HN 0.474 nan 8.230 nan 0.000 0.420 317 G N 2.984 111.362 108.800 -0.703 0.000 2.710 317 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.668 317 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.668 317 G C -0.208 174.391 174.900 -0.500 0.000 1.320 317 G CA -0.118 44.214 45.100 -1.279 0.000 0.860 317 G HN 0.797 nan 8.290 nan 0.000 0.538 318 L N 0.313 121.391 121.223 -0.241 0.000 2.044 318 L HA 0.412 4.752 4.340 -0.000 0.000 0.205 318 L C 3.054 179.971 176.870 0.079 0.000 1.075 318 L CA 3.356 58.240 54.840 0.072 0.000 0.747 318 L CB -0.858 41.304 42.059 0.171 0.000 0.903 318 L HN 1.546 nan 8.230 nan 0.000 0.435 319 A N -0.674 122.175 122.820 0.047 0.000 1.970 319 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 319 A C 2.380 179.950 177.584 -0.023 0.000 1.170 319 A CA 1.216 53.271 52.037 0.030 0.000 0.645 319 A CB -0.970 18.052 19.000 0.035 0.000 0.816 319 A HN 0.540 nan 8.150 nan 0.000 0.447 320 A N -0.875 121.900 122.820 -0.075 0.000 1.969 320 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 320 A C 2.237 179.717 177.584 -0.173 0.000 1.169 320 A CA 2.124 54.083 52.037 -0.130 0.000 0.635 320 A CB -0.977 17.916 19.000 -0.178 0.000 0.810 320 A HN 0.398 nan 8.150 nan 0.000 0.445 321 T N 0.264 114.698 114.554 -0.200 0.000 2.812 321 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 321 T C 1.419 176.006 174.700 -0.190 0.000 1.042 321 T CA 1.313 63.229 62.100 -0.307 0.000 1.140 321 T CB -0.353 68.161 68.868 -0.590 0.000 0.870 321 T HN 0.456 nan 8.240 nan 0.000 0.445 322 D N 1.463 121.859 120.400 -0.007 0.000 2.149 322 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 322 D C 2.137 178.433 176.300 -0.008 0.000 0.990 322 D CA 1.078 55.114 54.000 0.059 0.000 0.839 322 D CB -0.199 40.654 40.800 0.088 0.000 0.948 322 D HN 0.532 nan 8.370 nan 0.000 0.460 323 E N -0.012 120.164 120.200 -0.039 0.000 2.072 323 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 323 E C 2.092 178.650 176.600 -0.070 0.000 0.985 323 E CA 0.170 56.541 56.400 -0.049 0.000 0.801 323 E CB -0.078 29.587 29.700 -0.057 0.000 0.750 323 E HN 0.080 nan 8.360 nan 0.000 0.452 324 L N 1.110 122.268 121.223 -0.109 0.000 2.012 324 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 324 L C 2.041 178.860 176.870 -0.085 0.000 1.073 324 L CA 1.636 56.406 54.840 -0.117 0.000 0.748 324 L CB -0.333 41.623 42.059 -0.171 0.000 0.891 324 L HN 0.123 nan 8.230 nan 0.000 0.431 325 L N -1.648 119.527 121.223 -0.079 0.000 2.093 325 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 325 L C 2.550 179.410 176.870 -0.018 0.000 1.085 325 L CA 1.457 56.272 54.840 -0.042 0.000 0.755 325 L CB -0.467 41.584 42.059 -0.014 0.000 0.904 325 L HN 0.330 nan 8.230 nan 0.000 0.435 326 M N -1.023 118.568 119.600 -0.014 0.000 2.175 326 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 326 M C 2.300 178.591 176.300 -0.014 0.000 1.063 326 M CA 1.757 57.052 55.300 -0.008 0.000 1.119 326 M CB -0.578 32.019 32.600 -0.005 0.000 1.377 326 M HN 0.215 nan 8.290 nan 0.000 0.415 327 T N 0.535 115.074 114.554 -0.025 0.000 2.708 327 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 327 T C 1.869 176.558 174.700 -0.019 0.000 1.037 327 T CA 1.385 63.471 62.100 -0.025 0.000 1.146 327 T CB -0.342 68.504 68.868 -0.037 0.000 0.865 327 T HN 0.132 nan 8.240 nan 0.000 0.435 328 V N 1.304 121.204 119.914 -0.023 0.000 2.332 328 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 328 V C 2.701 178.791 176.094 -0.007 0.000 1.055 328 V CA 2.036 64.327 62.300 -0.015 0.000 1.038 328 V CB -0.762 31.049 31.823 -0.019 0.000 0.651 328 V HN 0.508 nan 8.190 nan 0.000 0.450 329 S N -0.639 115.058 115.700 -0.005 0.000 2.402 329 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 329 S C 2.150 176.751 174.600 0.001 0.000 1.021 329 S CA 2.018 60.218 58.200 -0.000 0.000 0.974 329 S CB -0.107 63.094 63.200 0.003 0.000 0.800 329 S HN 0.729 nan 8.310 nan 0.000 0.484 330 Q N 0.468 120.267 119.800 -0.001 0.000 2.269 330 Q HA 0.353 4.693 4.340 -0.000 0.000 0.201 330 Q C 2.146 178.147 176.000 0.002 0.000 0.946 330 Q CA 0.968 56.771 55.803 -0.000 0.000 0.877 330 Q CB -0.782 27.955 28.738 -0.002 0.000 0.963 330 Q HN 0.716 nan 8.270 nan 0.000 0.472 331 L N 0.943 122.167 121.223 0.001 0.000 2.131 331 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 331 L C 2.842 179.716 176.870 0.007 0.000 1.087 331 L CA 1.669 56.512 54.840 0.005 0.000 0.767 331 L CB -0.045 42.018 42.059 0.006 0.000 0.917 331 L HN 0.603 nan 8.230 nan 0.000 0.441 332 S N -1.110 114.593 115.700 0.005 0.000 2.458 332 S HA 0.083 4.553 4.470 -0.000 0.000 0.223 332 S C 1.664 176.267 174.600 0.005 0.000 1.019 332 S CA 0.540 58.743 58.200 0.005 0.000 0.937 332 S CB 0.429 63.632 63.200 0.004 0.000 0.788 332 S HN 0.492 nan 8.310 nan 0.000 0.511 333 G N 1.303 110.105 108.800 0.004 0.000 2.179 333 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 333 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 333 G C -0.078 174.824 174.900 0.004 0.000 0.977 333 G CA 0.399 45.502 45.100 0.004 0.000 0.641 333 G HN 0.597 nan 8.290 nan 0.000 0.533 334 K N 1.215 121.618 120.400 0.004 0.000 2.123 334 K HA 0.492 4.812 4.320 -0.000 0.000 0.259 334 K C -2.508 174.096 176.600 0.006 0.000 0.960 334 K CA -1.843 54.447 56.287 0.005 0.000 0.872 334 K CB 2.426 34.928 32.500 0.005 0.000 1.079 334 K HN 0.099 nan 8.250 nan 0.000 0.440 335 P HA 0.160 nan 4.420 nan 0.000 0.275 335 P C -0.085 177.222 177.300 0.012 0.000 1.228 335 P CA -0.227 62.878 63.100 0.009 0.000 0.786 335 P CB 0.548 32.253 31.700 0.008 0.000 0.927 336 I N 1.430 122.010 120.570 0.016 0.000 2.668 336 I HA 0.019 4.189 4.170 -0.000 0.000 0.285 336 I C 1.275 177.407 176.117 0.026 0.000 1.168 336 I CA -0.156 61.158 61.300 0.025 0.000 1.424 336 I CB 0.220 38.241 38.000 0.035 0.000 1.377 336 I HN 0.398 nan 8.210 nan 0.000 0.560 337 A N 5.551 128.388 122.820 0.028 0.000 2.540 337 A HA -0.004 4.316 4.320 -0.000 0.000 0.239 337 A C 1.081 178.681 177.584 0.026 0.000 1.061 337 A CA -0.314 51.738 52.037 0.025 0.000 0.758 337 A CB 0.076 19.092 19.000 0.027 0.000 0.991 337 A HN 0.797 nan 8.150 nan 0.000 0.502 338 D N 2.349 122.759 120.400 0.017 0.000 2.158 338 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 338 D C 2.139 178.448 176.300 0.014 0.000 0.995 338 D CA 1.897 55.904 54.000 0.012 0.000 0.846 338 D CB -0.312 40.492 40.800 0.006 0.000 0.941 338 D HN 0.700 nan 8.370 nan 0.000 0.456 339 A N 0.342 123.174 122.820 0.020 0.000 1.978 339 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 339 A C 2.334 179.944 177.584 0.043 0.000 1.170 339 A CA 0.894 52.946 52.037 0.025 0.000 0.636 339 A CB -0.609 18.406 19.000 0.025 0.000 0.810 339 A HN 0.233 nan 8.150 nan 0.000 0.448 340 L N -1.229 120.033 121.223 0.064 0.000 2.131 340 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 340 L C 2.709 179.628 176.870 0.081 0.000 1.087 340 L CA 1.462 56.380 54.840 0.130 0.000 0.767 340 L CB -0.647 41.507 42.059 0.159 0.000 0.917 340 L HN 0.303 nan 8.230 nan 0.000 0.441 341 T N 0.408 114.979 114.554 0.027 0.000 2.746 341 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 341 T C 1.803 176.456 174.700 -0.078 0.000 1.039 341 T CA 1.392 63.471 62.100 -0.034 0.000 1.142 341 T CB -0.238 68.621 68.868 -0.014 0.000 0.866 341 T HN 0.109 nan 8.240 nan 0.000 0.444 342 L N 1.439 122.635 121.223 -0.044 0.000 1.994 342 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 342 L C 2.407 179.233 176.870 -0.073 0.000 1.071 342 L CA 1.945 56.757 54.840 -0.046 0.000 0.745 342 L CB -0.899 41.149 42.059 -0.019 0.000 0.892 342 L HN 0.253 nan 8.230 nan 0.000 0.431 343 E N -0.526 119.643 120.200 -0.053 0.000 2.070 343 E HA -0.324 4.026 4.350 -0.000 0.000 0.197 343 E C 2.448 178.901 176.600 -0.245 0.000 1.004 343 E CA 1.536 57.902 56.400 -0.058 0.000 0.805 343 E CB -0.241 29.506 29.700 0.077 0.000 0.744 343 E HN 0.445 nan 8.360 nan 0.000 0.451 344 R N -0.358 119.809 120.500 -0.554 0.000 2.113 344 R HA -0.180 4.160 4.340 -0.000 0.000 0.244 344 R C 2.361 178.424 176.300 -0.394 0.000 1.142 344 R CA 1.898 57.458 56.100 -0.899 0.000 0.953 344 R CB -0.673 29.122 30.300 -0.840 0.000 0.860 344 R HN 0.289 nan 8.270 nan 0.000 0.438 345 G N 0.015 108.672 108.800 -0.238 0.000 2.422 345 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 345 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 345 G C 1.412 176.256 174.900 -0.093 0.000 1.140 345 G CA 0.447 45.468 45.100 -0.131 0.000 0.775 345 G HN 0.342 nan 8.290 nan 0.000 0.545 346 R N -0.760 119.686 120.500 -0.089 0.000 2.092 346 R HA 0.064 4.404 4.340 -0.000 0.000 0.231 346 R C 2.385 178.666 176.300 -0.031 0.000 1.119 346 R CA 0.868 56.941 56.100 -0.045 0.000 0.970 346 R CB -0.368 29.914 30.300 -0.031 0.000 0.864 346 R HN 0.377 nan 8.270 nan 0.000 0.440 347 L N 0.602 121.791 121.223 -0.056 0.000 2.056 347 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 347 L C 1.970 178.842 176.870 0.005 0.000 1.078 347 L CA 1.537 56.371 54.840 -0.009 0.000 0.749 347 L CB -0.332 41.716 42.059 -0.018 0.000 0.901 347 L HN -0.123 nan 8.230 nan 0.000 0.433 348 V N 0.179 120.069 119.914 -0.040 0.000 2.332 348 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 348 V C 2.363 178.459 176.094 0.002 0.000 1.055 348 V CA 2.112 64.402 62.300 -0.015 0.000 1.038 348 V CB -0.877 30.921 31.823 -0.041 0.000 0.651 348 V HN 0.595 nan 8.190 nan 0.000 0.450 349 D N -0.558 119.839 120.400 -0.006 0.000 2.123 349 D HA -0.223 4.417 4.640 -0.000 0.000 0.196 349 D C 2.164 178.483 176.300 0.031 0.000 0.992 349 D CA 1.677 55.682 54.000 0.009 0.000 0.833 349 D CB -0.121 40.679 40.800 0.001 0.000 0.954 349 D HN 0.396 nan 8.370 nan 0.000 0.455 350 M N -0.754 118.867 119.600 0.034 0.000 2.117 350 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 350 M C 2.286 178.627 176.300 0.068 0.000 1.065 350 M CA 1.198 56.528 55.300 0.051 0.000 1.114 350 M CB -0.204 32.427 32.600 0.051 0.000 1.361 350 M HN 0.141 nan 8.290 nan 0.000 0.408 351 M N 0.026 119.666 119.600 0.067 0.000 2.080 351 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 351 M C 2.072 178.431 176.300 0.099 0.000 1.068 351 M CA 1.649 56.991 55.300 0.070 0.000 1.109 351 M CB -0.506 32.128 32.600 0.056 0.000 1.342 351 M HN 0.268 nan 8.290 nan 0.000 0.405 352 L N -0.481 120.791 121.223 0.081 0.000 2.093 352 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 352 L C 1.936 178.937 176.870 0.217 0.000 1.085 352 L CA 0.835 55.749 54.840 0.124 0.000 0.755 352 L CB -0.878 41.208 42.059 0.044 0.000 0.904 352 L HN 0.249 nan 8.230 nan 0.000 0.435 353 D N -0.140 120.334 120.400 0.124 0.000 2.123 353 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 353 D C 2.111 178.472 176.300 0.101 0.000 0.992 353 D CA 1.372 55.432 54.000 0.101 0.000 0.833 353 D CB -0.005 40.840 40.800 0.074 0.000 0.954 353 D HN 0.138 nan 8.370 nan 0.000 0.455 354 S N -0.411 115.361 115.700 0.121 0.000 2.556 354 S HA -0.039 4.431 4.470 -0.000 0.000 0.216 354 S C 1.534 176.197 174.600 0.104 0.000 0.970 354 S CA -0.370 57.915 58.200 0.143 0.000 0.912 354 S CB -0.103 63.175 63.200 0.129 0.000 0.790 354 S HN 0.481 nan 8.310 nan 0.000 0.504 355 H N 1.530 120.623 119.070 0.038 0.000 2.456 355 H HA -0.059 4.497 4.556 -0.000 0.000 0.296 355 H C 1.862 177.199 175.328 0.014 0.000 1.079 355 H CA 1.758 57.820 56.048 0.023 0.000 1.322 355 H CB -0.885 28.879 29.762 0.004 0.000 1.388 355 H HN 0.467 nan 8.280 nan 0.000 0.538 356 T N -3.367 110.776 114.554 -0.686 0.000 3.085 356 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 356 T C 1.562 176.013 174.700 -0.415 0.000 1.127 356 T CA 0.363 62.096 62.100 -0.612 0.000 1.103 356 T CB -0.603 67.795 68.868 -0.784 0.000 0.921 356 T HN 0.509 nan 8.240 nan 0.000 0.510 357 W N 0.270 121.529 121.300 -0.068 0.000 2.704 357 W HA 0.484 5.144 4.660 -0.000 0.000 0.266 357 W C 1.922 178.464 176.519 0.037 0.000 1.266 357 W CA -0.592 56.749 57.345 -0.008 0.000 1.377 357 W CB 0.190 29.639 29.460 -0.018 0.000 1.082 357 W HN 0.160 nan 8.180 nan 0.000 0.608 358 L N -0.865 120.500 121.223 0.236 0.000 2.307 358 L HA 0.066 4.406 4.340 -0.000 0.000 0.211 358 L C 0.757 177.719 176.870 0.153 0.000 1.099 358 L CA 0.148 55.101 54.840 0.189 0.000 0.816 358 L CB -0.718 41.402 42.059 0.102 0.000 0.952 358 L HN -0.095 nan 8.230 nan 0.000 0.455 359 H N 0.336 119.449 119.070 0.071 0.000 3.070 359 H HA 0.189 4.745 4.556 0.000 0.000 0.313 359 H C 1.186 176.572 175.328 0.097 0.000 0.997 359 H CA 0.796 56.881 56.048 0.063 0.000 1.438 359 H CB 0.471 30.279 29.762 0.077 0.000 1.455 359 H HN 0.286 nan 8.280 nan 0.000 0.575 360 G N 3.919 112.510 108.800 -0.349 0.000 2.184 360 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 360 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 360 G C 0.156 175.075 174.900 0.032 0.000 0.975 360 G CA 0.198 45.257 45.100 -0.068 0.000 0.642 360 G HN 0.607 nan 8.290 nan 0.000 0.536 361 K N 0.758 121.195 120.400 0.061 0.000 2.326 361 K HA 0.323 4.643 4.320 -0.000 0.000 0.275 361 K C 0.504 177.082 176.600 -0.037 0.000 1.018 361 K CA 0.156 56.444 56.287 0.001 0.000 0.962 361 K CB 0.785 33.287 32.500 0.004 0.000 0.953 361 K HN 0.344 nan 8.250 nan 0.000 0.475 362 K N 2.580 122.873 120.400 -0.178 0.000 2.235 362 K HA 0.377 4.697 4.320 -0.000 0.000 0.266 362 K C -0.667 175.786 176.600 -0.245 0.000 0.980 362 K CA -0.420 55.818 56.287 -0.082 0.000 0.849 362 K CB 0.772 33.244 32.500 -0.047 0.000 1.098 362 K HN 0.282 nan 8.250 nan 0.000 0.445 363 F N 0.025 120.044 119.950 0.116 0.000 2.546 363 F HA 0.445 4.972 4.527 -0.000 0.000 0.320 363 F C 0.791 176.689 175.800 0.163 0.000 1.076 363 F CA -0.752 57.340 58.000 0.154 0.000 0.928 363 F CB 2.160 41.234 39.000 0.124 0.000 1.189 363 F HN 0.520 nan 8.300 nan 0.000 0.465 364 G N 2.198 111.233 108.800 0.392 0.000 2.388 364 G HA2 0.717 4.677 3.960 -0.000 0.000 0.330 364 G HA3 0.717 4.677 3.960 -0.000 0.000 0.330 364 G C -1.619 173.631 174.900 0.583 0.000 1.142 364 G CA -0.744 44.625 45.100 0.448 0.000 0.908 364 G HN 0.742 nan 8.290 nan 0.000 0.473 365 L N 0.135 121.696 121.223 0.564 0.000 2.466 365 L HA 0.892 5.232 4.340 -0.000 0.000 0.258 365 L C -1.226 175.812 176.870 0.279 0.000 0.973 365 L CA -1.475 53.540 54.840 0.292 0.000 0.826 365 L CB 2.123 44.271 42.059 0.148 0.000 1.372 365 L HN 0.697 nan 8.230 nan 0.000 0.409 366 Y N 0.004 120.331 120.300 0.045 0.000 2.615 366 Y HA 1.046 5.596 4.550 0.000 0.000 0.341 366 Y C -0.087 175.923 175.900 0.184 0.000 1.089 366 Y CA -0.356 57.751 58.100 0.012 0.000 1.049 366 Y CB 1.661 39.937 38.460 -0.306 0.000 1.296 366 Y HN 1.105 nan 8.280 nan 0.000 0.470 367 G N 0.554 109.617 108.800 0.439 0.000 2.351 367 G HA2 0.221 4.181 3.960 -0.000 0.000 0.279 367 G HA3 0.221 4.181 3.960 -0.000 0.000 0.279 367 G C -1.983 173.108 174.900 0.318 0.000 1.297 367 G CA -0.906 44.448 45.100 0.424 0.000 0.886 367 G HN 0.644 nan 8.290 nan 0.000 0.493 368 D N 0.667 121.255 120.400 0.312 0.000 2.344 368 D HA 0.414 5.054 4.640 -0.000 0.000 0.244 368 D C -1.246 175.114 176.300 0.100 0.000 1.134 368 D CA -1.338 52.755 54.000 0.154 0.000 0.930 368 D CB 1.444 42.341 40.800 0.161 0.000 1.175 368 D HN -0.031 nan 8.370 nan 0.000 0.437 369 P HA -0.083 nan 4.420 nan 0.000 0.217 369 P C 0.710 178.081 177.300 0.119 0.000 1.150 369 P CA 1.065 63.887 63.100 -0.463 0.000 0.832 369 P CB 0.415 31.550 31.700 -0.942 0.000 0.787 370 D N -1.547 118.987 120.400 0.224 0.000 2.123 370 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 370 D C 1.765 178.267 176.300 0.337 0.000 0.976 370 D CA 0.903 55.111 54.000 0.348 0.000 0.831 370 D CB -0.561 40.419 40.800 0.300 0.000 0.974 370 D HN 0.085 nan 8.370 nan 0.000 0.469 371 F N 2.241 122.316 119.950 0.208 0.000 2.095 371 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 371 F C 2.190 178.111 175.800 0.203 0.000 1.104 371 F CA 1.044 59.173 58.000 0.215 0.000 1.232 371 F CB -0.565 38.563 39.000 0.212 0.000 0.987 371 F HN -0.257 nan 8.300 nan 0.000 0.475 372 V N 1.034 120.996 119.914 0.079 0.000 2.343 372 V HA -0.364 3.756 4.120 -0.000 0.000 0.247 372 V C 2.583 178.726 176.094 0.082 0.000 1.051 372 V CA 2.224 64.532 62.300 0.014 0.000 1.036 372 V CB -0.712 31.291 31.823 0.300 0.000 0.654 372 V HN 0.568 nan 8.190 nan 0.000 0.451 373 M N 0.367 120.119 119.600 0.254 0.000 2.080 373 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 373 M C 2.034 178.343 176.300 0.016 0.000 1.068 373 M CA 2.487 57.848 55.300 0.101 0.000 1.109 373 M CB -0.616 32.071 32.600 0.144 0.000 1.342 373 M HN 0.375 nan 8.290 nan 0.000 0.405 374 G N 0.343 109.154 108.800 0.018 0.000 2.404 374 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 374 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 374 G C 1.302 176.170 174.900 -0.054 0.000 1.174 374 G CA 0.821 45.905 45.100 -0.025 0.000 0.780 374 G HN 0.436 nan 8.290 nan 0.000 0.537 375 L N 1.113 122.233 121.223 -0.173 0.000 2.017 375 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 375 L C 2.973 179.786 176.870 -0.094 0.000 1.073 375 L CA 2.490 57.221 54.840 -0.182 0.000 0.745 375 L CB -1.017 40.756 42.059 -0.477 0.000 0.894 375 L HN 0.200 nan 8.230 nan 0.000 0.432 376 T N -0.460 114.039 114.554 -0.092 0.000 2.684 376 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 376 T C 2.005 176.689 174.700 -0.028 0.000 1.036 376 T CA 1.751 63.822 62.100 -0.049 0.000 1.148 376 T CB -0.308 68.540 68.868 -0.034 0.000 0.863 376 T HN 0.346 nan 8.240 nan 0.000 0.436 377 R N -0.292 120.202 120.500 -0.010 0.000 2.091 377 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 377 R C 2.240 178.587 176.300 0.078 0.000 1.136 377 R CA 1.436 57.547 56.100 0.019 0.000 0.959 377 R CB -0.448 29.860 30.300 0.013 0.000 0.856 377 R HN 0.370 nan 8.270 nan 0.000 0.437 378 F N 1.288 121.182 119.950 -0.093 0.000 2.146 378 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 378 F C 1.811 177.539 175.800 -0.120 0.000 1.096 378 F CA 1.147 59.091 58.000 -0.095 0.000 1.275 378 F CB -0.393 38.552 39.000 -0.092 0.000 1.008 378 F HN -0.023 nan 8.300 nan 0.000 0.480 379 L N -0.363 120.749 121.223 -0.185 0.000 2.042 379 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 379 L C 2.514 179.235 176.870 -0.247 0.000 1.076 379 L CA 1.199 55.852 54.840 -0.311 0.000 0.749 379 L CB -0.830 41.080 42.059 -0.248 0.000 0.893 379 L HN 0.175 nan 8.230 nan 0.000 0.432 380 L N -0.505 120.640 121.223 -0.130 0.000 2.042 380 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 380 L C 2.415 179.182 176.870 -0.172 0.000 1.076 380 L CA 1.433 56.215 54.840 -0.096 0.000 0.749 380 L CB -0.585 41.481 42.059 0.011 0.000 0.893 380 L HN 0.291 nan 8.230 nan 0.000 0.432 381 E N 0.008 120.136 120.200 -0.119 0.000 2.268 381 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 381 E C 2.131 178.609 176.600 -0.203 0.000 0.995 381 E CA 0.765 57.112 56.400 -0.089 0.000 0.836 381 E CB 0.004 29.748 29.700 0.075 0.000 0.763 381 E HN 0.486 nan 8.360 nan 0.000 0.491 382 L N -0.921 120.090 121.223 -0.353 0.000 2.509 382 L HA 0.162 4.502 4.340 -0.000 0.000 0.222 382 L C 1.301 177.957 176.870 -0.356 0.000 1.123 382 L CA 0.347 54.973 54.840 -0.357 0.000 0.856 382 L CB 0.176 41.948 42.059 -0.477 0.000 0.985 382 L HN 0.297 nan 8.230 nan 0.000 0.456 383 G N -0.421 108.008 108.800 -0.618 0.000 2.132 383 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.228 383 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.228 383 G C 0.131 174.535 174.900 -0.826 0.000 1.000 383 G CA -0.030 44.392 45.100 -1.131 0.000 0.693 383 G HN 0.318 nan 8.290 nan 0.000 0.515 384 C N 0.059 119.091 119.300 -0.447 0.000 2.335 384 C HA 0.708 5.168 4.460 -0.000 0.000 0.363 384 C C 0.539 175.540 174.990 0.018 0.000 1.198 384 C CA -0.728 58.228 59.018 -0.102 0.000 2.279 384 C CB 1.375 29.158 27.740 0.072 0.000 2.334 384 C HN 0.530 nan 8.230 nan 0.000 0.559 385 E N 2.260 122.560 120.200 0.166 0.000 2.102 385 E HA 0.227 4.577 4.350 -0.000 0.000 0.263 385 E C -2.479 174.255 176.600 0.224 0.000 0.894 385 E CA -1.412 55.096 56.400 0.181 0.000 0.746 385 E CB 1.121 30.908 29.700 0.146 0.000 1.129 385 E HN 0.432 nan 8.360 nan 0.000 0.416 386 P HA -0.006 nan 4.420 nan 0.000 0.260 386 P C 0.701 178.103 177.300 0.170 0.000 1.651 386 P CA -0.081 63.135 63.100 0.194 0.000 1.139 386 P CB 0.327 32.096 31.700 0.116 0.000 1.756 387 T N -0.336 114.323 114.554 0.176 0.000 2.985 387 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 387 T C 0.716 175.519 174.700 0.172 0.000 1.076 387 T CA 0.576 62.757 62.100 0.135 0.000 1.135 387 T CB -0.075 68.850 68.868 0.094 0.000 0.890 387 T HN 0.095 nan 8.240 nan 0.000 0.480 388 V N 1.775 121.823 119.914 0.223 0.000 2.447 388 V HA 0.508 4.628 4.120 -0.000 0.000 0.292 388 V C -0.821 175.528 176.094 0.424 0.000 1.021 388 V CA -0.962 61.523 62.300 0.308 0.000 0.850 388 V CB 1.490 33.395 31.823 0.137 0.000 1.005 388 V HN 0.389 nan 8.190 nan 0.000 0.426 389 I N 6.163 127.014 120.570 0.469 0.000 2.382 389 I HA 0.552 4.722 4.170 -0.000 0.000 0.286 389 I C -0.690 175.761 176.117 0.557 0.000 1.002 389 I CA -0.397 61.167 61.300 0.439 0.000 1.135 389 I CB 1.821 39.991 38.000 0.282 0.000 1.288 389 I HN 0.444 nan 8.210 nan 0.000 0.448 390 L N 5.518 127.063 121.223 0.537 0.000 2.386 390 L HA 0.674 5.014 4.340 -0.000 0.000 0.271 390 L C -0.713 176.360 176.870 0.338 0.000 0.993 390 L CA -0.075 55.055 54.840 0.483 0.000 0.819 390 L CB 2.040 44.386 42.059 0.480 0.000 1.294 390 L HN 0.542 nan 8.230 nan 0.000 0.414 391 S N 1.826 117.656 115.700 0.217 0.000 2.721 391 S HA 0.228 4.698 4.470 -0.000 0.000 0.264 391 S C 0.389 175.014 174.600 0.042 0.000 1.161 391 S CA -0.516 57.694 58.200 0.017 0.000 1.113 391 S CB 0.475 63.422 63.200 -0.420 0.000 1.079 391 S HN 0.954 nan 8.310 nan 0.000 0.479 392 H N 3.840 122.912 119.070 0.003 0.000 2.422 392 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 392 H C 1.248 176.551 175.328 -0.041 0.000 1.098 392 H CA 1.873 57.925 56.048 0.006 0.000 1.315 392 H CB 0.345 30.114 29.762 0.013 0.000 1.382 392 H HN 0.642 nan 8.280 nan 0.000 0.523 393 N N 0.274 118.969 118.700 -0.008 0.000 2.238 393 N HA 0.153 4.893 4.740 -0.000 0.000 0.222 393 N C -0.281 175.106 175.510 -0.204 0.000 1.133 393 N CA 0.267 53.243 53.050 -0.123 0.000 0.854 393 N CB 0.294 38.686 38.487 -0.159 0.000 1.041 393 N HN 0.200 nan 8.380 nan 0.000 0.510 394 A N 0.961 123.593 122.820 -0.313 0.000 2.287 394 A HA 0.524 4.844 4.320 -0.000 0.000 0.273 394 A C 0.362 177.849 177.584 -0.162 0.000 1.091 394 A CA -0.507 51.231 52.037 -0.499 0.000 0.817 394 A CB 0.260 18.574 19.000 -1.142 0.000 1.069 394 A HN 0.551 nan 8.150 nan 0.000 0.492 395 N N -0.571 118.097 118.700 -0.053 0.000 2.815 395 N HA 0.334 5.074 4.740 -0.000 0.000 0.315 395 N C 0.127 175.722 175.510 0.141 0.000 1.320 395 N CA -0.691 52.399 53.050 0.067 0.000 0.846 395 N CB 0.598 39.143 38.487 0.096 0.000 1.344 395 N HN 0.484 nan 8.380 nan 0.000 0.593 396 K N -0.401 120.075 120.400 0.126 0.000 2.057 396 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 396 K C 1.893 178.569 176.600 0.128 0.000 1.049 396 K CA 1.166 57.523 56.287 0.117 0.000 0.931 396 K CB -0.112 32.442 32.500 0.089 0.000 0.714 396 K HN 0.483 nan 8.250 nan 0.000 0.440 397 R N 0.038 120.642 120.500 0.174 0.000 2.105 397 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 397 R C 2.019 178.415 176.300 0.161 0.000 1.135 397 R CA 1.713 57.951 56.100 0.230 0.000 0.967 397 R CB -0.318 30.206 30.300 0.373 0.000 0.861 397 R HN 0.383 nan 8.270 nan 0.000 0.442 398 W N 1.440 122.560 121.300 -0.300 0.000 2.358 398 W HA -0.217 4.443 4.660 -0.000 0.000 0.303 398 W C 2.253 178.511 176.519 -0.435 0.000 1.208 398 W CA 1.879 58.672 57.345 -0.921 0.000 1.274 398 W CB -0.237 28.651 29.460 -0.952 0.000 1.138 398 W HN 0.213 nan 8.180 nan 0.000 0.515 399 Q N 0.592 120.417 119.800 0.041 0.000 2.124 399 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 399 Q C 2.141 178.035 176.000 -0.177 0.000 0.977 399 Q CA 1.733 57.491 55.803 -0.075 0.000 0.850 399 Q CB -0.238 28.568 28.738 0.113 0.000 0.901 399 Q HN 0.270 nan 8.270 nan 0.000 0.429 400 K N -0.175 120.173 120.400 -0.086 0.000 2.057 400 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 400 K C 2.074 178.608 176.600 -0.111 0.000 1.049 400 K CA 1.069 57.317 56.287 -0.066 0.000 0.931 400 K CB -0.135 32.370 32.500 0.008 0.000 0.714 400 K HN 0.259 nan 8.250 nan 0.000 0.440 401 A N 1.379 124.116 122.820 -0.138 0.000 1.930 401 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 401 A C 2.144 179.558 177.584 -0.283 0.000 1.175 401 A CA 1.243 53.205 52.037 -0.125 0.000 0.627 401 A CB -0.318 18.713 19.000 0.052 0.000 0.815 401 A HN 0.126 nan 8.150 nan 0.000 0.443 402 M N 0.221 119.491 119.600 -0.549 0.000 2.065 402 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 402 M C 1.722 177.845 176.300 -0.295 0.000 1.069 402 M CA 1.409 56.378 55.300 -0.553 0.000 1.110 402 M CB -1.595 30.482 32.600 -0.872 0.000 1.328 402 M HN 0.408 nan 8.290 nan 0.000 0.405 403 N N 0.498 119.054 118.700 -0.239 0.000 2.223 403 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 403 N C 1.650 177.096 175.510 -0.106 0.000 1.016 403 N CA 1.078 54.039 53.050 -0.149 0.000 0.863 403 N CB -0.360 38.053 38.487 -0.124 0.000 0.983 403 N HN 0.456 nan 8.380 nan 0.000 0.429 404 K N 0.855 121.196 120.400 -0.099 0.000 2.057 404 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 404 K C 2.085 178.649 176.600 -0.060 0.000 1.049 404 K CA 0.955 57.205 56.287 -0.063 0.000 0.931 404 K CB -0.074 32.400 32.500 -0.043 0.000 0.714 404 K HN 0.106 nan 8.250 nan 0.000 0.440 405 M N 0.579 120.131 119.600 -0.081 0.000 2.200 405 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 405 M C 1.640 177.910 176.300 -0.051 0.000 1.066 405 M CA 1.222 56.485 55.300 -0.062 0.000 1.127 405 M CB 0.084 32.637 32.600 -0.079 0.000 1.379 405 M HN 0.173 nan 8.290 nan 0.000 0.420 406 L N 0.236 121.417 121.223 -0.069 0.000 2.072 406 L HA -0.189 4.151 4.340 -0.000 0.000 0.205 406 L C 1.915 178.765 176.870 -0.032 0.000 1.079 406 L CA 0.970 55.784 54.840 -0.044 0.000 0.752 406 L CB -0.824 41.201 42.059 -0.058 0.000 0.906 406 L HN 0.248 nan 8.230 nan 0.000 0.436 407 D N 0.376 120.750 120.400 -0.044 0.000 2.182 407 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 407 D C 2.014 178.298 176.300 -0.027 0.000 0.986 407 D CA 1.437 55.414 54.000 -0.037 0.000 0.847 407 D CB 0.031 40.807 40.800 -0.040 0.000 0.942 407 D HN 0.321 nan 8.370 nan 0.000 0.467 408 A N -0.370 122.437 122.820 -0.021 0.000 2.238 408 A HA 0.128 4.448 4.320 -0.000 0.000 0.208 408 A C 1.110 178.694 177.584 0.001 0.000 1.177 408 A CA 0.091 52.121 52.037 -0.011 0.000 0.804 408 A CB 0.166 19.160 19.000 -0.009 0.000 0.823 408 A HN 0.110 nan 8.150 nan 0.000 0.482 409 S N -1.003 114.701 115.700 0.006 0.000 2.503 409 S HA 0.544 5.014 4.470 -0.000 0.000 0.301 409 S C -2.090 172.500 174.600 -0.016 0.000 1.087 409 S CA -1.497 56.723 58.200 0.033 0.000 1.042 409 S CB 1.492 64.744 63.200 0.088 0.000 1.043 409 S HN -0.000 nan 8.310 nan 0.000 0.489 410 P HA -0.047 nan 4.420 nan 0.000 0.216 410 P C 0.311 177.403 177.300 -0.347 0.000 1.150 410 P CA 1.309 64.254 63.100 -0.258 0.000 0.837 410 P CB -0.060 31.370 31.700 -0.450 0.000 0.786 411 Y N -1.302 118.990 120.300 -0.014 0.000 2.583 411 Y HA 0.177 4.727 4.550 -0.000 0.000 0.293 411 Y C 2.299 178.191 175.900 -0.014 0.000 1.157 411 Y CA 0.834 58.921 58.100 -0.022 0.000 1.315 411 Y CB -0.870 37.568 38.460 -0.038 0.000 1.021 411 Y HN -0.051 nan 8.280 nan 0.000 0.536 412 G N -0.613 108.229 108.800 0.070 0.000 3.284 412 G HA2 0.087 4.047 3.960 -0.000 0.000 0.236 412 G HA3 0.087 4.047 3.960 -0.000 0.000 0.236 412 G C 1.743 176.645 174.900 0.003 0.000 1.158 412 G CA 0.460 45.584 45.100 0.039 0.000 0.774 412 G HN 0.344 nan 8.290 nan 0.000 0.545 413 R N 0.913 121.403 120.500 -0.017 0.000 2.081 413 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 413 R C 1.607 177.897 176.300 -0.017 0.000 1.131 413 R CA 1.762 57.844 56.100 -0.029 0.000 0.960 413 R CB -0.803 29.468 30.300 -0.049 0.000 0.856 413 R HN 0.284 nan 8.270 nan 0.000 0.436 414 D N 0.246 120.646 120.400 -0.001 0.000 2.336 414 D HA 0.150 4.790 4.640 -0.000 0.000 0.228 414 D C -0.498 175.814 176.300 0.021 0.000 1.120 414 D CA 0.173 54.177 54.000 0.007 0.000 0.839 414 D CB 0.360 41.170 40.800 0.016 0.000 0.932 414 D HN 0.318 nan 8.370 nan 0.000 0.509 415 S N 0.628 116.339 115.700 0.017 0.000 2.554 415 S HA 0.302 4.772 4.470 -0.000 0.000 0.278 415 S C 0.219 174.819 174.600 0.001 0.000 1.242 415 S CA -0.523 57.698 58.200 0.035 0.000 1.051 415 S CB 1.754 64.973 63.200 0.032 0.000 0.986 415 S HN 0.060 nan 8.310 nan 0.000 0.502 416 E N 1.391 121.609 120.200 0.030 0.000 2.224 416 E HA 0.446 4.796 4.350 -0.000 0.000 0.265 416 E C -1.374 175.155 176.600 -0.119 0.000 0.878 416 E CA -0.655 55.685 56.400 -0.100 0.000 0.759 416 E CB 1.873 31.552 29.700 -0.035 0.000 1.164 416 E HN 0.245 nan 8.360 nan 0.000 0.414 417 V N 3.735 123.481 119.914 -0.279 0.000 2.435 417 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 417 V C -0.830 175.103 176.094 -0.269 0.000 1.030 417 V CA -0.580 61.663 62.300 -0.096 0.000 0.881 417 V CB 0.491 32.275 31.823 -0.065 0.000 0.983 417 V HN 0.533 nan 8.190 nan 0.000 0.445 418 F N 5.292 125.366 119.950 0.207 0.000 2.518 418 F HA 0.697 5.224 4.527 -0.000 0.000 0.323 418 F C 0.164 176.082 175.800 0.197 0.000 1.129 418 F CA -0.658 57.453 58.000 0.186 0.000 0.920 418 F CB 1.643 40.770 39.000 0.211 0.000 1.160 418 F HN 0.417 nan 8.300 nan 0.000 0.440 419 I N -0.445 120.299 120.570 0.290 0.000 2.910 419 I HA 0.571 4.741 4.170 -0.000 0.000 0.310 419 I C 0.035 176.253 176.117 0.168 0.000 1.043 419 I CA -1.040 60.382 61.300 0.202 0.000 1.053 419 I CB 1.858 39.956 38.000 0.163 0.000 1.242 419 I HN 0.610 nan 8.210 nan 0.000 0.452 420 N N 0.771 119.573 118.700 0.169 0.000 2.714 420 N HA -0.157 4.582 4.740 -0.000 0.000 0.250 420 N C -0.887 174.687 175.510 0.107 0.000 1.117 420 N CA 0.783 53.955 53.050 0.203 0.000 0.719 420 N CB -1.513 37.056 38.487 0.136 0.000 1.081 420 N HN 0.685 nan 8.380 nan 0.000 0.557 421 C N 0.058 119.358 119.300 0.000 0.000 2.614 421 C HA 0.587 5.047 4.460 -0.000 0.000 0.320 421 C C 0.564 175.379 174.990 -0.291 0.000 1.200 421 C CA -0.826 58.120 59.018 -0.121 0.000 1.700 421 C CB 1.825 29.472 27.740 -0.155 0.000 2.275 421 C HN 0.499 nan 8.230 nan 0.000 0.492 422 D N 0.282 120.603 120.400 -0.131 0.000 2.616 422 D HA 0.407 5.047 4.640 -0.000 0.000 0.260 422 D C 0.659 176.890 176.300 -0.115 0.000 1.158 422 D CA -0.769 53.009 54.000 -0.369 0.000 1.085 422 D CB 0.271 40.857 40.800 -0.356 0.000 1.222 422 D HN 0.336 nan 8.370 nan 0.000 0.626 423 L N -1.011 120.135 121.223 -0.128 0.000 2.376 423 L HA 0.043 4.383 4.340 -0.000 0.000 0.219 423 L C 1.798 178.734 176.870 0.110 0.000 1.133 423 L CA 0.334 55.142 54.840 -0.054 0.000 0.816 423 L CB -0.263 41.712 42.059 -0.140 0.000 0.933 423 L HN 0.478 nan 8.230 nan 0.000 0.449 424 W N 0.828 122.043 121.300 -0.141 0.000 2.436 424 W HA -0.131 4.529 4.660 0.000 0.000 0.284 424 W C 2.184 178.596 176.519 -0.178 0.000 1.225 424 W CA 1.204 58.462 57.345 -0.145 0.000 1.271 424 W CB -0.038 29.288 29.460 -0.224 0.000 1.114 424 W HN 0.307 nan 8.180 nan 0.000 0.559 425 H N -1.411 117.592 119.070 -0.110 0.000 2.357 425 H HA -0.176 4.380 4.556 -0.000 0.000 0.301 425 H C 1.972 177.228 175.328 -0.120 0.000 1.082 425 H CA 2.218 58.069 56.048 -0.328 0.000 1.342 425 H CB -0.717 28.740 29.762 -0.508 0.000 1.389 425 H HN 0.000 nan 8.280 nan 0.000 0.511 426 F N 1.522 121.432 119.950 -0.067 0.000 2.171 426 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 426 F C 2.677 178.425 175.800 -0.086 0.000 1.090 426 F CA 1.314 59.269 58.000 -0.075 0.000 1.293 426 F CB -0.062 38.886 39.000 -0.086 0.000 1.013 426 F HN -0.070 nan 8.300 nan 0.000 0.486 427 R N -0.287 120.196 120.500 -0.028 0.000 2.083 427 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 427 R C 2.358 178.580 176.300 -0.131 0.000 1.137 427 R CA 1.906 57.911 56.100 -0.159 0.000 0.951 427 R CB -0.647 29.441 30.300 -0.353 0.000 0.851 427 R HN 0.234 nan 8.270 nan 0.000 0.434 428 S N 1.011 116.623 115.700 -0.147 0.000 2.370 428 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 428 S C 1.900 176.496 174.600 -0.007 0.000 1.033 428 S CA 1.403 59.599 58.200 -0.007 0.000 1.011 428 S CB -0.220 63.019 63.200 0.064 0.000 0.852 428 S HN 0.297 nan 8.310 nan 0.000 0.457 429 L N 0.707 121.864 121.223 -0.110 0.000 2.079 429 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 429 L C 2.481 179.192 176.870 -0.265 0.000 1.081 429 L CA 0.805 55.514 54.840 -0.218 0.000 0.752 429 L CB -0.501 41.333 42.059 -0.376 0.000 0.896 429 L HN 0.323 nan 8.230 nan 0.000 0.433 430 M N -1.294 118.083 119.600 -0.372 0.000 2.229 430 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 430 M C 2.204 178.325 176.300 -0.299 0.000 1.063 430 M CA 1.703 56.774 55.300 -0.381 0.000 1.114 430 M CB -0.978 31.353 32.600 -0.448 0.000 1.387 430 M HN 0.123 nan 8.290 nan 0.000 0.420 431 F N 0.365 120.208 119.950 -0.179 0.000 2.367 431 F HA -0.090 4.437 4.527 0.000 0.000 0.298 431 F C 2.630 178.353 175.800 -0.128 0.000 1.094 431 F CA 1.615 59.522 58.000 -0.156 0.000 1.409 431 F CB -0.875 37.990 39.000 -0.224 0.000 1.064 431 F HN 0.271 nan 8.300 nan 0.000 0.528 432 T N -2.641 111.944 114.554 0.052 0.000 2.939 432 T HA 0.023 4.373 4.350 -0.000 0.000 0.254 432 T C 1.972 176.666 174.700 -0.010 0.000 1.041 432 T CA 0.427 62.532 62.100 0.008 0.000 1.142 432 T CB -0.028 68.829 68.868 -0.020 0.000 0.874 432 T HN -0.028 nan 8.240 nan 0.000 0.452 433 R N 0.818 121.294 120.500 -0.041 0.000 2.223 433 R HA 0.249 4.589 4.340 -0.000 0.000 0.198 433 R C 0.511 176.787 176.300 -0.040 0.000 0.984 433 R CA 0.045 56.124 56.100 -0.035 0.000 1.018 433 R CB -0.652 29.624 30.300 -0.040 0.000 0.945 433 R HN 0.462 nan 8.270 nan 0.000 0.479 434 Q N 1.208 120.970 119.800 -0.064 0.000 2.439 434 Q HA -0.133 4.207 4.340 -0.000 0.000 0.361 434 Q C -1.992 173.959 176.000 -0.082 0.000 1.408 434 Q CA 0.469 56.231 55.803 -0.068 0.000 1.052 434 Q CB -1.250 27.486 28.738 -0.003 0.000 1.233 434 Q HN 0.289 nan 8.270 nan 0.000 0.347 435 P HA 0.009 nan 4.420 nan 0.000 0.272 435 P C 0.653 177.848 177.300 -0.175 0.000 1.254 435 P CA -0.178 62.866 63.100 -0.094 0.000 0.795 435 P CB 0.578 32.258 31.700 -0.034 0.000 1.022 436 D N -1.163 119.088 120.400 -0.248 0.000 2.162 436 D HA 0.050 4.690 4.640 -0.000 0.000 0.203 436 D C 0.402 176.277 176.300 -0.708 0.000 0.967 436 D CA 1.537 55.280 54.000 -0.427 0.000 0.840 436 D CB -0.004 40.601 40.800 -0.324 0.000 0.972 436 D HN 0.289 nan 8.370 nan 0.000 0.482 437 F N -0.852 118.946 119.950 -0.253 0.000 2.685 437 F HA 0.382 4.909 4.527 0.000 0.000 0.315 437 F C -0.396 175.463 175.800 0.099 0.000 1.126 437 F CA -1.279 56.680 58.000 -0.068 0.000 0.950 437 F CB 1.454 40.442 39.000 -0.021 0.000 1.360 437 F HN -0.357 nan 8.300 nan 0.000 0.469 438 M N 1.644 121.489 119.600 0.409 0.000 2.464 438 M HA 0.747 5.227 4.480 -0.000 0.000 0.308 438 M C -1.906 174.611 176.300 0.362 0.000 1.127 438 M CA -0.558 55.000 55.300 0.430 0.000 0.913 438 M CB 2.610 35.502 32.600 0.487 0.000 1.689 438 M HN 0.460 nan 8.290 nan 0.000 0.445 439 I N 2.264 123.002 120.570 0.281 0.000 2.378 439 I HA 0.873 5.043 4.170 -0.000 0.000 0.291 439 I C 0.269 176.303 176.117 -0.137 0.000 0.992 439 I CA -0.215 61.154 61.300 0.116 0.000 1.154 439 I CB 1.856 39.918 38.000 0.102 0.000 1.315 439 I HN 1.048 nan 8.210 nan 0.000 0.448 440 G N 4.503 113.177 108.800 -0.210 0.000 2.494 440 G HA2 0.264 4.224 3.960 -0.000 0.000 0.308 440 G HA3 0.264 4.224 3.960 -0.000 0.000 0.308 440 G C -1.712 173.026 174.900 -0.270 0.000 1.263 440 G CA -0.645 44.019 45.100 -0.728 0.000 0.840 440 G HN 0.597 nan 8.290 nan 0.000 0.479 441 N N -1.313 117.291 118.700 -0.161 0.000 2.643 441 N HA 0.444 5.184 4.740 -0.000 0.000 0.305 441 N C 1.077 176.535 175.510 -0.088 0.000 1.283 441 N CA 0.185 53.172 53.050 -0.105 0.000 0.946 441 N CB 0.727 39.144 38.487 -0.118 0.000 1.149 441 N HN 0.245 nan 8.380 nan 0.000 0.600 442 S N -1.516 114.009 115.700 -0.292 0.000 2.442 442 S HA -0.074 4.396 4.470 -0.000 0.000 0.236 442 S C 1.099 175.548 174.600 -0.251 0.000 1.007 442 S CA 0.662 58.685 58.200 -0.295 0.000 0.965 442 S CB -0.758 62.225 63.200 -0.361 0.000 0.773 442 S HN 0.485 nan 8.310 nan 0.000 0.504 443 Y N 1.695 122.024 120.300 0.048 0.000 2.403 443 Y HA 0.003 4.553 4.550 0.000 0.000 0.291 443 Y C 2.506 178.503 175.900 0.162 0.000 1.143 443 Y CA 0.295 58.498 58.100 0.172 0.000 1.257 443 Y CB -1.074 37.507 38.460 0.202 0.000 0.984 443 Y HN 0.332 nan 8.280 nan 0.000 0.550 444 G N 0.661 109.636 108.800 0.293 0.000 2.509 444 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 444 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 444 G C 1.710 176.673 174.900 0.105 0.000 1.124 444 G CA 0.824 46.094 45.100 0.283 0.000 0.776 444 G HN 0.535 nan 8.290 nan 0.000 0.547 445 K N -0.307 120.021 120.400 -0.120 0.000 2.147 445 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 445 K C 1.838 178.316 176.600 -0.203 0.000 1.049 445 K CA 1.022 57.169 56.287 -0.234 0.000 0.936 445 K CB -0.478 31.773 32.500 -0.415 0.000 0.722 445 K HN 0.247 nan 8.250 nan 0.000 0.446 446 F N 1.972 122.011 119.950 0.148 0.000 2.234 446 F HA 0.035 4.562 4.527 0.000 0.000 0.299 446 F C 2.134 178.022 175.800 0.147 0.000 1.087 446 F CA 0.570 58.661 58.000 0.152 0.000 1.340 446 F CB -0.420 38.695 39.000 0.192 0.000 1.031 446 F HN -0.092 nan 8.300 nan 0.000 0.500 447 I N -0.369 120.374 120.570 0.289 0.000 2.252 447 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 447 I C 2.557 178.718 176.117 0.075 0.000 1.102 447 I CA 1.247 62.649 61.300 0.171 0.000 1.385 447 I CB -0.628 37.489 38.000 0.194 0.000 1.064 447 I HN 0.180 nan 8.210 nan 0.000 0.414 448 Q N 1.493 121.340 119.800 0.078 0.000 2.084 448 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 448 Q C 2.476 178.502 176.000 0.043 0.000 0.978 448 Q CA 1.580 57.402 55.803 0.033 0.000 0.844 448 Q CB -0.098 28.660 28.738 0.033 0.000 0.898 448 Q HN 0.332 nan 8.270 nan 0.000 0.426 449 R N 0.127 120.674 120.500 0.080 0.000 2.083 449 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 449 R C 1.374 177.759 176.300 0.140 0.000 1.137 449 R CA 2.002 58.163 56.100 0.102 0.000 0.951 449 R CB -0.218 30.169 30.300 0.144 0.000 0.851 449 R HN 0.372 nan 8.270 nan 0.000 0.434 450 D N -0.324 120.198 120.400 0.203 0.000 2.144 450 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 450 D C 1.931 178.482 176.300 0.418 0.000 0.984 450 D CA 2.101 56.315 54.000 0.357 0.000 0.834 450 D CB -0.426 40.612 40.800 0.397 0.000 0.955 450 D HN 0.486 nan 8.370 nan 0.000 0.465 451 T N -0.655 113.924 114.554 0.041 0.000 2.857 451 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 451 T C 2.019 176.799 174.700 0.134 0.000 1.048 451 T CA 0.560 62.578 62.100 -0.135 0.000 1.139 451 T CB -0.529 68.129 68.868 -0.351 0.000 0.874 451 T HN 0.062 nan 8.240 nan 0.000 0.455 452 L N 1.863 123.148 121.223 0.104 0.000 2.131 452 L HA 0.291 4.631 4.340 -0.000 0.000 0.210 452 L C 2.733 179.694 176.870 0.150 0.000 1.092 452 L CA 1.622 56.528 54.840 0.109 0.000 0.759 452 L CB -1.119 40.975 42.059 0.058 0.000 0.903 452 L HN 0.364 nan 8.230 nan 0.000 0.435 453 A N -0.899 122.019 122.820 0.163 0.000 2.121 453 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 453 A C 2.401 180.115 177.584 0.217 0.000 1.154 453 A CA 1.543 53.629 52.037 0.082 0.000 0.679 453 A CB -0.568 18.343 19.000 -0.149 0.000 0.795 453 A HN 0.525 nan 8.150 nan 0.000 0.458 454 K N -0.989 119.660 120.400 0.415 0.000 2.155 454 K HA 0.176 4.496 4.320 -0.000 0.000 0.203 454 K C 0.662 177.466 176.600 0.339 0.000 1.052 454 K CA 1.025 57.529 56.287 0.362 0.000 0.948 454 K CB -0.079 32.568 32.500 0.245 0.000 0.728 454 K HN 0.535 nan 8.250 nan 0.000 0.448 455 G N -2.024 107.022 108.800 0.409 0.000 2.358 455 G HA2 0.245 4.205 3.960 -0.000 0.000 0.301 455 G HA3 0.245 4.205 3.960 -0.000 0.000 0.301 455 G C -0.048 174.990 174.900 0.230 0.000 1.539 455 G CA -0.121 45.206 45.100 0.378 0.000 0.893 455 G HN 0.029 nan 8.290 nan 0.000 0.636 456 K N -0.576 119.876 120.400 0.086 0.000 2.152 456 K HA 0.288 4.608 4.320 -0.000 0.000 0.206 456 K C 2.617 179.157 176.600 -0.100 0.000 1.048 456 K CA 2.543 58.828 56.287 -0.003 0.000 0.933 456 K CB -0.630 31.856 32.500 -0.023 0.000 0.721 456 K HN 1.994 nan 8.250 nan 0.000 0.447 457 A N -0.619 122.058 122.820 -0.239 0.000 2.119 457 A HA 0.300 4.620 4.320 -0.000 0.000 0.217 457 A C 1.849 179.075 177.584 -0.596 0.000 1.153 457 A CA 1.082 52.829 52.037 -0.482 0.000 0.692 457 A CB -0.373 18.165 19.000 -0.770 0.000 0.799 457 A HN 0.513 nan 8.150 nan 0.000 0.458 458 F N -0.102 119.836 119.950 -0.020 0.000 2.721 458 F HA 0.219 4.746 4.527 0.000 0.000 0.301 458 F C 0.914 176.656 175.800 -0.098 0.000 1.096 458 F CA -0.388 57.591 58.000 -0.035 0.000 1.308 458 F CB 0.011 39.037 39.000 0.044 0.000 1.086 458 F HN 0.211 nan 8.300 nan 0.000 0.587 459 E N 1.901 122.117 120.200 0.025 0.000 2.480 459 E HA 0.103 4.453 4.350 -0.000 0.000 0.258 459 E C -0.796 175.727 176.600 -0.129 0.000 0.984 459 E CA -0.048 56.327 56.400 -0.043 0.000 0.930 459 E CB 0.720 30.398 29.700 -0.036 0.000 0.936 459 E HN -0.082 nan 8.360 nan 0.000 0.466 460 V N 7.905 127.736 119.914 -0.138 0.000 2.311 460 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 460 V C -2.176 173.871 176.094 -0.078 0.000 1.022 460 V CA -1.815 60.388 62.300 -0.162 0.000 0.830 460 V CB 1.041 32.777 31.823 -0.145 0.000 1.012 460 V HN 0.727 nan 8.190 nan 0.000 0.452 461 P HA 0.183 nan 4.420 nan 0.000 0.271 461 P C -0.531 176.895 177.300 0.209 0.000 1.218 461 P CA -0.341 62.805 63.100 0.078 0.000 0.780 461 P CB 0.759 32.563 31.700 0.174 0.000 0.901 462 L N 4.316 125.641 121.223 0.171 0.000 2.350 462 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 462 L C -0.761 176.217 176.870 0.180 0.000 1.099 462 L CA 0.014 54.962 54.840 0.181 0.000 0.808 462 L CB 0.147 42.272 42.059 0.109 0.000 1.149 462 L HN 0.243 nan 8.230 nan 0.000 0.442 463 I N 4.954 125.628 120.570 0.174 0.000 2.362 463 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 463 I C -0.102 176.059 176.117 0.074 0.000 0.994 463 I CA -0.683 60.682 61.300 0.108 0.000 1.158 463 I CB 1.277 39.336 38.000 0.099 0.000 1.315 463 I HN 0.539 nan 8.210 nan 0.000 0.451 464 R N 7.069 127.599 120.500 0.050 0.000 2.210 464 R HA 0.597 4.937 4.340 -0.000 0.000 0.338 464 R C -1.160 175.189 176.300 0.081 0.000 1.062 464 R CA -0.142 55.978 56.100 0.033 0.000 0.902 464 R CB 0.452 30.757 30.300 0.008 0.000 1.050 464 R HN 0.512 nan 8.270 nan 0.000 0.461 465 L N 2.811 124.093 121.223 0.098 0.000 2.555 465 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 465 L C 0.209 177.137 176.870 0.097 0.000 0.972 465 L CA -0.485 54.483 54.840 0.213 0.000 0.876 465 L CB 2.020 44.260 42.059 0.301 0.000 1.216 465 L HN 0.928 nan 8.230 nan 0.000 0.415 466 G N 2.342 111.153 108.800 0.017 0.000 2.291 466 G HA2 0.146 4.106 3.960 -0.000 0.000 0.249 466 G HA3 0.146 4.106 3.960 -0.000 0.000 0.249 466 G C -2.237 172.547 174.900 -0.193 0.000 1.340 466 G CA -0.471 44.438 45.100 -0.318 0.000 1.017 466 G HN 0.345 nan 8.290 nan 0.000 0.470 467 F N 2.069 121.813 119.950 -0.343 0.000 2.608 467 F HA 0.769 5.296 4.527 -0.000 0.000 0.309 467 F C -2.436 173.159 175.800 -0.342 0.000 1.103 467 F CA -1.717 56.021 58.000 -0.436 0.000 0.954 467 F CB 2.725 41.480 39.000 -0.409 0.000 1.267 467 F HN 0.506 nan 8.300 nan 0.000 0.444 468 P HA 0.425 nan 4.420 nan 0.000 0.285 468 P C -1.475 175.179 177.300 -1.078 0.000 1.269 468 P CA -0.481 61.495 63.100 -1.875 0.000 0.844 468 P CB 2.344 32.322 31.700 -2.869 0.000 1.094 469 L N 2.323 123.230 121.223 -0.526 0.000 2.337 469 L HA 0.328 4.668 4.340 -0.000 0.000 0.269 469 L C 0.417 177.112 176.870 -0.292 0.000 1.018 469 L CA -0.423 54.193 54.840 -0.373 0.000 0.876 469 L CB 0.344 42.288 42.059 -0.192 0.000 1.236 469 L HN 0.240 nan 8.230 nan 0.000 0.436 470 F N 0.463 120.259 119.950 -0.256 0.000 2.717 470 F HA 0.039 4.566 4.527 -0.000 0.000 0.295 470 F C 1.764 177.483 175.800 -0.136 0.000 1.117 470 F CA -0.153 57.712 58.000 -0.225 0.000 1.361 470 F CB 0.130 38.963 39.000 -0.278 0.000 1.112 470 F HN 0.536 nan 8.300 nan 0.000 0.594 471 D N -0.965 119.464 120.400 0.049 0.000 2.462 471 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 471 D C 0.451 176.764 176.300 0.022 0.000 1.173 471 D CA 0.163 54.180 54.000 0.028 0.000 0.831 471 D CB 0.300 41.081 40.800 -0.031 0.000 1.001 471 D HN -0.055 nan 8.370 nan 0.000 0.499 472 R N -0.165 120.361 120.500 0.043 0.000 2.808 472 R HA 0.419 4.759 4.340 -0.000 0.000 0.272 472 R C -0.627 175.762 176.300 0.148 0.000 0.995 472 R CA -0.590 55.540 56.100 0.049 0.000 0.917 472 R CB 1.209 31.514 30.300 0.009 0.000 1.217 472 R HN 0.221 nan 8.270 nan 0.000 0.471 473 H N 1.415 120.411 119.070 -0.124 0.000 2.479 473 H HA 0.238 4.794 4.556 -0.000 0.000 0.335 473 H C -0.106 175.090 175.328 -0.221 0.000 1.142 473 H CA -0.543 55.326 56.048 -0.299 0.000 1.234 473 H CB 1.058 30.551 29.762 -0.448 0.000 1.503 473 H HN 0.601 nan 8.280 nan 0.000 0.510 474 H N 1.317 120.469 119.070 0.136 0.000 2.958 474 H HA -0.169 4.388 4.556 0.000 0.000 0.274 474 H C 1.015 176.266 175.328 -0.129 0.000 1.184 474 H CA 0.598 56.625 56.048 -0.036 0.000 1.143 474 H CB -1.522 28.233 29.762 -0.013 0.000 1.297 474 H HN 0.645 nan 8.280 nan 0.000 0.356 475 L N 0.646 121.877 121.223 0.013 0.000 2.395 475 L HA -0.070 4.270 4.340 -0.000 0.000 0.218 475 L C 2.752 179.635 176.870 0.021 0.000 1.130 475 L CA 1.059 55.919 54.840 0.033 0.000 0.826 475 L CB -0.421 41.675 42.059 0.061 0.000 0.941 475 L HN 0.478 nan 8.230 nan 0.000 0.451 476 H N 0.467 119.455 119.070 -0.138 0.000 2.518 476 H HA -0.094 4.462 4.556 0.000 0.000 0.289 476 H C 1.531 176.938 175.328 0.132 0.000 1.051 476 H CA 0.659 56.617 56.048 -0.150 0.000 1.280 476 H CB -0.229 29.313 29.762 -0.367 0.000 1.380 476 H HN 0.368 nan 8.280 nan 0.000 0.566 477 R N 0.728 121.003 120.500 -0.374 0.000 2.313 477 R HA 0.101 4.441 4.340 -0.000 0.000 0.199 477 R C 0.562 176.865 176.300 0.005 0.000 0.958 477 R CA -0.037 55.954 56.100 -0.181 0.000 1.047 477 R CB 0.321 30.479 30.300 -0.237 0.000 0.955 477 R HN 0.507 nan 8.270 nan 0.000 0.481 478 Q N 0.411 120.273 119.800 0.104 0.000 2.318 478 Q HA 0.167 4.507 4.340 -0.000 0.000 0.222 478 Q C -0.346 175.646 176.000 -0.014 0.000 1.003 478 Q CA 0.218 56.049 55.803 0.047 0.000 0.936 478 Q CB 1.143 29.895 28.738 0.022 0.000 1.204 478 Q HN -0.073 nan 8.270 nan 0.000 0.524 479 T N 0.127 114.609 114.554 -0.120 0.000 2.855 479 T HA 0.327 4.677 4.350 -0.000 0.000 0.281 479 T C 0.522 175.051 174.700 -0.284 0.000 1.007 479 T CA -0.561 61.428 62.100 -0.185 0.000 1.009 479 T CB 1.424 70.239 68.868 -0.089 0.000 0.983 479 T HN 0.801 nan 8.240 nan 0.000 0.455 480 T N -2.536 111.811 114.554 -0.346 0.000 2.986 480 T HA 0.224 4.574 4.350 -0.000 0.000 0.264 480 T C -0.004 174.747 174.700 0.084 0.000 0.964 480 T CA -0.379 61.597 62.100 -0.207 0.000 0.895 480 T CB 0.180 68.859 68.868 -0.316 0.000 1.163 480 T HN 0.419 nan 8.240 nan 0.000 0.517 481 W N 1.906 123.098 121.300 -0.180 0.000 2.390 481 W HA 0.708 5.368 4.660 -0.000 0.000 0.362 481 W C 1.243 177.640 176.519 -0.203 0.000 1.206 481 W CA -0.168 57.066 57.345 -0.185 0.000 1.355 481 W CB 0.116 29.472 29.460 -0.173 0.000 1.278 481 W HN 0.616 nan 8.180 nan 0.000 0.653 482 G N 0.419 109.193 108.800 -0.043 0.000 2.749 482 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.242 482 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.242 482 G C -0.006 174.774 174.900 -0.200 0.000 1.364 482 G CA 0.348 45.304 45.100 -0.240 0.000 0.888 482 G HN 0.487 nan 8.290 nan 0.000 0.566 483 Y N 0.290 120.556 120.300 -0.057 0.000 2.373 483 Y HA 0.071 4.622 4.550 0.000 0.000 0.293 483 Y C 2.782 178.657 175.900 -0.041 0.000 1.129 483 Y CA 1.681 59.744 58.100 -0.062 0.000 1.226 483 Y CB -0.431 38.008 38.460 -0.036 0.000 1.000 483 Y HN 0.796 nan 8.280 nan 0.000 0.549 484 E N -0.082 120.179 120.200 0.101 0.000 2.051 484 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 484 E C 2.563 179.175 176.600 0.021 0.000 0.991 484 E CA 1.255 57.689 56.400 0.056 0.000 0.799 484 E CB -0.513 29.206 29.700 0.031 0.000 0.748 484 E HN 0.438 nan 8.360 nan 0.000 0.449 485 G N 0.589 109.386 108.800 -0.005 0.000 2.418 485 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 485 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 485 G C 1.658 176.539 174.900 -0.031 0.000 1.158 485 G CA 0.972 46.052 45.100 -0.034 0.000 0.771 485 G HN 0.430 nan 8.290 nan 0.000 0.545 486 A N 0.686 123.472 122.820 -0.058 0.000 1.902 486 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 486 A C 2.473 180.125 177.584 0.113 0.000 1.181 486 A CA 1.761 53.749 52.037 -0.082 0.000 0.623 486 A CB -0.361 18.508 19.000 -0.219 0.000 0.818 486 A HN 0.389 nan 8.150 nan 0.000 0.443 487 M N -0.501 119.150 119.600 0.085 0.000 2.080 487 M HA -0.206 4.273 4.480 -0.000 0.000 0.260 487 M C 2.192 178.529 176.300 0.061 0.000 1.068 487 M CA 2.014 57.364 55.300 0.083 0.000 1.109 487 M CB -0.695 31.940 32.600 0.058 0.000 1.342 487 M HN 0.591 nan 8.290 nan 0.000 0.405 488 N N 1.320 120.039 118.700 0.032 0.000 2.036 488 N HA -0.163 4.577 4.740 -0.000 0.000 0.195 488 N C 1.351 176.876 175.510 0.025 0.000 1.037 488 N CA 1.849 54.904 53.050 0.009 0.000 0.855 488 N CB -0.328 38.140 38.487 -0.031 0.000 1.033 488 N HN 0.328 nan 8.380 nan 0.000 0.423 489 I N -0.415 120.191 120.570 0.060 0.000 2.127 489 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 489 I C 2.174 178.336 176.117 0.075 0.000 1.075 489 I CA 0.880 62.237 61.300 0.094 0.000 1.334 489 I CB -0.343 37.779 38.000 0.205 0.000 1.040 489 I HN 0.034 nan 8.210 nan 0.000 0.405 490 V N 0.454 120.447 119.914 0.132 0.000 2.255 490 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 490 V C 2.515 178.619 176.094 0.015 0.000 1.051 490 V CA 2.616 64.950 62.300 0.056 0.000 1.018 490 V CB -1.034 30.848 31.823 0.098 0.000 0.641 490 V HN 0.483 nan 8.190 nan 0.000 0.445 491 T N -0.262 114.307 114.554 0.025 0.000 2.665 491 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 491 T C 1.909 176.596 174.700 -0.021 0.000 1.035 491 T CA 2.296 64.398 62.100 0.003 0.000 1.151 491 T CB -0.488 68.384 68.868 0.007 0.000 0.862 491 T HN 0.598 nan 8.240 nan 0.000 0.438 492 T N 2.225 116.766 114.554 -0.021 0.000 2.746 492 T HA 0.062 4.412 4.350 -0.000 0.000 0.267 492 T C 1.997 176.652 174.700 -0.076 0.000 1.039 492 T CA 0.843 62.919 62.100 -0.039 0.000 1.142 492 T CB -0.380 68.475 68.868 -0.022 0.000 0.866 492 T HN 0.270 nan 8.240 nan 0.000 0.444 493 L N 0.441 121.615 121.223 -0.082 0.000 2.044 493 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 493 L C 2.714 179.517 176.870 -0.112 0.000 1.075 493 L CA 0.829 55.597 54.840 -0.119 0.000 0.747 493 L CB -0.660 41.316 42.059 -0.140 0.000 0.903 493 L HN 0.131 nan 8.230 nan 0.000 0.435 494 V N 0.264 120.141 119.914 -0.061 0.000 2.548 494 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 494 V C 2.049 178.066 176.094 -0.128 0.000 1.055 494 V CA 1.644 63.914 62.300 -0.050 0.000 1.065 494 V CB -0.393 31.440 31.823 0.017 0.000 0.681 494 V HN 0.482 nan 8.190 nan 0.000 0.462 495 N N 0.612 119.244 118.700 -0.114 0.000 2.409 495 N HA 0.051 4.791 4.740 -0.000 0.000 0.179 495 N C 1.762 177.195 175.510 -0.128 0.000 1.032 495 N CA 1.268 54.242 53.050 -0.126 0.000 0.898 495 N CB -0.218 38.218 38.487 -0.085 0.000 0.971 495 N HN 0.572 nan 8.380 nan 0.000 0.441 496 A N 0.595 123.319 122.820 -0.161 0.000 1.898 496 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 496 A C 2.415 179.888 177.584 -0.185 0.000 1.181 496 A CA 1.100 53.016 52.037 -0.202 0.000 0.620 496 A CB -0.677 18.082 19.000 -0.402 0.000 0.819 496 A HN 0.073 nan 8.150 nan 0.000 0.442 497 V N 0.225 119.989 119.914 -0.250 0.000 2.295 497 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 497 V C 2.570 178.620 176.094 -0.073 0.000 1.049 497 V CA 2.095 64.379 62.300 -0.028 0.000 1.024 497 V CB -0.795 31.027 31.823 -0.001 0.000 0.648 497 V HN 0.577 nan 8.190 nan 0.000 0.447 498 L N 0.192 121.268 121.223 -0.246 0.000 2.093 498 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 498 L C 2.824 179.594 176.870 -0.168 0.000 1.085 498 L CA 1.781 56.414 54.840 -0.345 0.000 0.755 498 L CB -0.750 41.041 42.059 -0.448 0.000 0.904 498 L HN 0.483 nan 8.230 nan 0.000 0.435 499 E N 0.844 120.993 120.200 -0.085 0.000 2.072 499 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 499 E C 2.114 178.729 176.600 0.025 0.000 0.985 499 E CA 1.558 57.944 56.400 -0.023 0.000 0.801 499 E CB -0.082 29.617 29.700 -0.000 0.000 0.750 499 E HN 0.424 nan 8.360 nan 0.000 0.452 500 K N 0.270 120.717 120.400 0.079 0.000 2.057 500 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 500 K C 2.222 178.845 176.600 0.038 0.000 1.050 500 K CA 1.562 57.905 56.287 0.094 0.000 0.935 500 K CB -0.937 31.689 32.500 0.210 0.000 0.715 500 K HN 0.366 nan 8.250 nan 0.000 0.439 501 L N 1.096 122.329 121.223 0.016 0.000 2.046 501 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 501 L C 1.417 178.298 176.870 0.018 0.000 1.077 501 L CA 2.039 56.875 54.840 -0.006 0.000 0.747 501 L CB -0.768 41.254 42.059 -0.062 0.000 0.896 501 L HN 0.211 nan 8.230 nan 0.000 0.432 502 D N -1.171 119.242 120.400 0.021 0.000 2.144 502 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 502 D C 2.385 178.793 176.300 0.181 0.000 0.984 502 D CA 1.379 55.479 54.000 0.166 0.000 0.834 502 D CB -0.098 40.769 40.800 0.113 0.000 0.955 502 D HN 0.421 nan 8.370 nan 0.000 0.465 503 S N 0.185 115.930 115.700 0.075 0.000 2.348 503 S HA -0.170 4.300 4.470 -0.000 0.000 0.221 503 S C 1.449 176.039 174.600 -0.018 0.000 1.033 503 S CA 1.470 59.684 58.200 0.023 0.000 1.010 503 S CB -0.225 62.983 63.200 0.013 0.000 0.891 503 S HN 0.085 nan 8.310 nan 0.000 0.442 504 D N 0.655 121.045 120.400 -0.017 0.000 2.158 504 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 504 D C 1.898 178.157 176.300 -0.068 0.000 0.995 504 D CA 1.828 55.803 54.000 -0.043 0.000 0.846 504 D CB -0.682 40.095 40.800 -0.038 0.000 0.941 504 D HN 0.696 nan 8.370 nan 0.000 0.456 505 T N -2.195 112.329 114.554 -0.050 0.000 3.163 505 T HA 0.093 4.443 4.350 -0.000 0.000 0.252 505 T C 1.163 175.706 174.700 -0.262 0.000 1.056 505 T CA 0.087 62.124 62.100 -0.105 0.000 0.947 505 T CB -0.105 68.760 68.868 -0.005 0.000 1.016 505 T HN 0.017 nan 8.240 nan 0.000 0.554 506 S N 0.150 115.645 115.700 -0.342 0.000 2.622 506 S HA 0.206 4.676 4.470 -0.000 0.000 0.236 506 S C 0.385 174.716 174.600 -0.449 0.000 0.956 506 S CA -0.740 57.021 58.200 -0.732 0.000 0.971 506 S CB -0.284 62.567 63.200 -0.581 0.000 0.782 506 S HN 0.614 nan 8.310 nan 0.000 0.468 507 Q N 1.778 121.405 119.800 -0.288 0.000 2.377 507 Q HA 0.354 4.694 4.340 -0.000 0.000 0.249 507 Q C -0.674 175.232 176.000 -0.156 0.000 1.005 507 Q CA -0.851 54.846 55.803 -0.176 0.000 0.912 507 Q CB 0.518 29.191 28.738 -0.109 0.000 1.223 507 Q HN 0.487 nan 8.270 nan 0.000 0.459 508 L N 5.263 126.397 121.223 -0.147 0.000 2.660 508 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 508 L C 1.122 177.966 176.870 -0.045 0.000 1.194 508 L CA 2.335 57.115 54.840 -0.100 0.000 0.945 508 L CB -0.031 41.982 42.059 -0.077 0.000 1.212 508 L HN 0.936 nan 8.230 nan 0.000 0.490 509 G N 1.173 109.964 108.800 -0.016 0.000 2.199 509 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.254 509 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.254 509 G C 0.620 175.545 174.900 0.042 0.000 0.982 509 G CA 0.850 45.962 45.100 0.019 0.000 0.632 509 G HN 1.048 nan 8.290 nan 0.000 0.529 510 K N -1.092 119.328 120.400 0.032 0.000 2.448 510 K HA 0.600 4.920 4.320 -0.000 0.000 0.220 510 K C 2.256 178.927 176.600 0.119 0.000 1.259 510 K CA 1.911 58.237 56.287 0.064 0.000 0.810 510 K CB -0.555 31.956 32.500 0.018 0.000 1.540 510 K HN 1.133 nan 8.250 nan 0.000 0.434 511 T N -0.061 114.483 114.554 -0.018 0.000 3.054 511 T HA 0.068 4.418 4.350 -0.000 0.000 0.255 511 T C 0.694 175.153 174.700 -0.401 0.000 1.035 511 T CA 0.717 62.710 62.100 -0.177 0.000 0.941 511 T CB -0.011 68.764 68.868 -0.155 0.000 1.026 511 T HN 0.459 nan 8.240 nan 0.000 0.533 512 D N 1.270 121.545 120.400 -0.207 0.000 2.324 512 D HA -0.066 4.574 4.640 -0.000 0.000 0.235 512 D C 1.388 177.670 176.300 -0.030 0.000 1.095 512 D CA -0.317 53.594 54.000 -0.147 0.000 0.871 512 D CB -0.868 39.844 40.800 -0.147 0.000 0.906 512 D HN 0.704 nan 8.370 nan 0.000 0.522 513 Y N -1.253 119.084 120.300 0.061 0.000 2.421 513 Y HA 0.116 4.666 4.550 -0.000 0.000 0.292 513 Y C 1.788 177.744 175.900 0.094 0.000 1.136 513 Y CA 0.526 58.666 58.100 0.068 0.000 1.255 513 Y CB -0.495 37.991 38.460 0.044 0.000 0.991 513 Y HN -0.009 nan 8.280 nan 0.000 0.552 514 S N -0.356 115.101 115.700 -0.405 0.000 2.588 514 S HA 0.188 4.658 4.470 -0.000 0.000 0.245 514 S C -0.239 174.368 174.600 0.011 0.000 1.021 514 S CA -0.695 57.427 58.200 -0.130 0.000 1.006 514 S CB -0.867 62.191 63.200 -0.237 0.000 0.830 514 S HN 0.378 nan 8.310 nan 0.000 0.468 515 F N 3.349 123.219 119.950 -0.133 0.000 2.705 515 F HA 0.322 4.849 4.527 0.000 0.000 0.355 515 F C -0.043 175.735 175.800 -0.037 0.000 1.172 515 F CA -1.597 56.352 58.000 -0.083 0.000 1.332 515 F CB -0.943 38.013 39.000 -0.074 0.000 1.621 515 F HN 0.083 nan 8.300 nan 0.000 0.605 516 D N 1.436 121.784 120.400 -0.086 0.000 2.382 516 D HA -0.008 4.632 4.640 -0.000 0.000 0.240 516 D C 1.396 177.571 176.300 -0.209 0.000 1.146 516 D CA -0.055 53.894 54.000 -0.086 0.000 0.897 516 D CB 1.091 41.889 40.800 -0.004 0.000 1.197 516 D HN 0.349 nan 8.370 nan 0.000 0.432 517 L N 1.791 122.934 121.223 -0.134 0.000 2.162 517 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 517 L C 0.063 176.870 176.870 -0.105 0.000 1.086 517 L CA 1.166 55.916 54.840 -0.150 0.000 0.778 517 L CB 0.378 42.386 42.059 -0.085 0.000 0.928 517 L HN 0.171 nan 8.230 nan 0.000 0.446 518 V N 2.545 122.429 119.914 -0.050 0.000 2.394 518 V HA 0.520 4.639 4.120 -0.000 0.000 0.282 518 V C 0.036 176.151 176.094 0.036 0.000 1.031 518 V CA -0.732 61.562 62.300 -0.009 0.000 0.881 518 V CB 1.141 32.971 31.823 0.013 0.000 0.982 518 V HN 0.239 nan 8.190 nan 0.000 0.451 519 R N 0.000 120.529 120.500 0.048 0.000 2.786 519 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 519 R CA 0.000 56.208 56.100 0.180 0.000 0.921 519 R CB 0.000 30.256 30.300 -0.072 0.000 0.687 519 R HN 0.000 nan 8.270 nan 0.000 0.535