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 1xl7_1_B DATA FIRST_RESID 11 DATA SEQUENCE ERTFQYQDSL PSLPVPALEE SLKKYLESVK PFANEDEYKK TEEIVQKFQE DATA SEQUENCE GAGKRLHQKL LERARGKRNW LEEWWLNVAY LDVRIPSQLN VNFVGPCPHF DATA SEQUENCE EHYWPAREGT QLERGSXXLW HNLNYWQLLR REKLPVHKSG NTPLDXNQFR DATA SEQUENCE XLFSTCKVPG ITRDSIXNYF KTESEGHCPT HIAVLCRGRA FVFDVLHEGC DATA SEQUENCE LITPPELLRQ LTYIHKKCSN EPVGPSIAAL TSEERTRWAK AREYLISLDP DATA SEQUENCE ENLTLLEKIQ TSLFVYSIED SSPHATPEEY SQVFEXLLGG DPSVRWGDKS DATA SEQUENCE YNLISFANGI FGCCCDHAPY DAXVXVNIAH YVDERVLETE GRWKGSEKVR DATA SEQUENCE DIPLPEELVF TVDEKILNDV SQAKAQHLKA ASDLQIAAST FTSFGKKLTK DATA SEQUENCE EEALHPDTFI QLALQLAYYR LHGRPGCCYE TAXTRYFYHG RTETVRSCTV DATA SEQUENCE EAVRWCQSXQ DPSASLLERQ QKXLEAFAKH NKXXKDCSHG KGFDRHLLGL DATA SEQUENCE LLIAKEEGLP VPELFEDPLF SRSGGGGNFV LSTSLVGYLR VQGVVVPXVH DATA SEQUENCE NGYGFFYHIR DDRFVVACSS WRSCPETDAE KLVQXIFHAF HDXIQLXNTA 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 11 E HA 0.000 nan 4.350 nan 0.000 0.291 11 E C 0.000 176.542 176.600 -0.097 0.000 1.382 11 E CA 0.000 56.358 56.400 -0.069 0.000 0.976 11 E CB 0.000 29.691 29.700 -0.014 0.000 0.812 12 R N 0.528 120.948 120.500 -0.134 0.000 2.474 12 R HA 0.358 4.698 4.340 0.000 0.000 0.295 12 R C 0.925 177.122 176.300 -0.171 0.000 0.980 12 R CA -0.235 55.792 56.100 -0.121 0.000 0.934 12 R CB 0.932 31.186 30.300 -0.076 0.000 1.101 12 R HN 0.514 nan 8.270 nan 0.000 0.469 13 T N 1.738 116.142 114.554 -0.251 0.000 2.649 13 T HA -0.209 4.141 4.350 0.000 0.000 0.268 13 T C 0.828 175.194 174.700 -0.557 0.000 1.036 13 T CA 1.795 63.589 62.100 -0.511 0.000 1.157 13 T CB -0.164 68.200 68.868 -0.840 0.000 0.861 13 T HN 0.470 nan 8.240 nan 0.000 0.445 14 F N 1.425 121.353 119.950 -0.037 0.000 2.641 14 F HA 0.233 4.760 4.527 0.000 0.000 0.302 14 F C 2.173 177.963 175.800 -0.017 0.000 1.098 14 F CA -0.686 57.320 58.000 0.010 0.000 1.318 14 F CB -0.425 38.605 39.000 0.050 0.000 1.035 14 F HN 0.220 nan 8.300 nan 0.000 0.551 15 Q N -0.404 119.384 119.800 -0.019 0.000 2.226 15 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 15 Q C 0.726 176.607 176.000 -0.197 0.000 0.975 15 Q CA 1.837 57.539 55.803 -0.168 0.000 0.866 15 Q CB -0.570 27.945 28.738 -0.371 0.000 0.915 15 Q HN 0.476 nan 8.270 nan 0.000 0.440 16 Y N 0.816 121.170 120.300 0.090 0.000 2.466 16 Y HA 0.137 4.687 4.550 0.000 0.000 0.272 16 Y C 2.042 178.025 175.900 0.139 0.000 1.169 16 Y CA -0.069 58.086 58.100 0.091 0.000 1.285 16 Y CB 0.256 38.755 38.460 0.063 0.000 1.078 16 Y HN 0.089 nan 8.280 nan 0.000 0.523 17 Q N 0.490 120.472 119.800 0.304 0.000 2.112 17 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 17 Q C 0.954 177.147 176.000 0.323 0.000 0.987 17 Q CA 1.556 57.567 55.803 0.348 0.000 0.858 17 Q CB -0.300 28.661 28.738 0.372 0.000 0.905 17 Q HN 0.537 nan 8.270 nan 0.000 0.420 18 D N -0.502 120.025 120.400 0.211 0.000 2.363 18 D HA 0.002 4.642 4.640 0.000 0.000 0.226 18 D C 1.002 177.362 176.300 0.100 0.000 1.020 18 D CA 0.360 54.429 54.000 0.115 0.000 0.892 18 D CB 0.262 41.106 40.800 0.072 0.000 0.900 18 D HN 0.086 nan 8.370 nan 0.000 0.531 19 S N -0.273 115.526 115.700 0.164 0.000 2.512 19 S HA 0.151 4.621 4.470 0.000 0.000 0.216 19 S C 1.035 175.720 174.600 0.141 0.000 1.006 19 S CA -0.350 57.937 58.200 0.146 0.000 0.915 19 S CB 0.879 64.198 63.200 0.197 0.000 0.824 19 S HN 0.170 nan 8.310 nan 0.000 0.497 20 L N 4.157 125.494 121.223 0.189 0.000 2.490 20 L HA 0.164 4.504 4.340 0.000 0.000 0.274 20 L C -1.942 175.044 176.870 0.193 0.000 1.201 20 L CA -1.332 53.628 54.840 0.200 0.000 0.869 20 L CB -0.144 42.094 42.059 0.298 0.000 1.123 20 L HN 0.057 nan 8.230 nan 0.000 0.484 21 P HA 0.090 nan 4.420 nan 0.000 0.274 21 P C -0.663 176.854 177.300 0.363 0.000 1.237 21 P CA -0.460 62.793 63.100 0.255 0.000 0.793 21 P CB 0.890 32.763 31.700 0.288 0.000 0.977 22 S N 0.959 116.807 115.700 0.246 0.000 2.576 22 S HA 0.132 4.602 4.470 0.000 0.000 0.276 22 S C 0.431 175.115 174.600 0.139 0.000 1.339 22 S CA -0.458 57.856 58.200 0.190 0.000 1.039 22 S CB -0.011 63.246 63.200 0.095 0.000 0.902 22 S HN 0.428 nan 8.310 nan 0.000 0.516 23 L N 5.557 126.811 121.223 0.051 0.000 2.513 23 L HA 0.255 4.595 4.340 0.000 0.000 0.272 23 L C -1.942 174.861 176.870 -0.112 0.000 1.187 23 L CA -0.909 53.778 54.840 -0.255 0.000 0.895 23 L CB 0.044 41.958 42.059 -0.242 0.000 1.147 23 L HN 0.374 nan 8.230 nan 0.000 0.483 24 P HA 0.191 nan 4.420 nan 0.000 0.278 24 P C -1.352 176.054 177.300 0.177 0.000 1.266 24 P CA -0.460 62.613 63.100 -0.045 0.000 0.807 24 P CB 1.367 32.982 31.700 -0.143 0.000 1.094 25 V N 2.322 122.244 119.914 0.014 0.000 2.370 25 V HA 0.285 4.405 4.120 0.000 0.000 0.283 25 V C -1.949 174.063 176.094 -0.137 0.000 1.023 25 V CA -1.644 60.545 62.300 -0.184 0.000 0.857 25 V CB 0.725 32.279 31.823 -0.448 0.000 0.985 25 V HN 0.577 nan 8.190 nan 0.000 0.443 26 P HA 0.298 nan 4.420 nan 0.000 0.272 26 P C -0.372 176.948 177.300 0.033 0.000 1.240 26 P CA -0.247 62.837 63.100 -0.026 0.000 0.791 26 P CB 0.505 32.270 31.700 0.109 0.000 0.978 27 A N 1.146 124.028 122.820 0.103 0.000 2.440 27 A HA 0.109 4.429 4.320 0.000 0.000 0.251 27 A C 1.164 178.800 177.584 0.086 0.000 1.089 27 A CA -0.290 51.794 52.037 0.078 0.000 0.779 27 A CB -0.473 18.561 19.000 0.057 0.000 1.022 27 A HN 0.676 nan 8.150 nan 0.000 0.492 28 L N 2.088 123.208 121.223 -0.173 0.000 2.017 28 L HA -0.152 4.188 4.340 0.000 0.000 0.208 28 L C 2.225 179.050 176.870 -0.075 0.000 1.073 28 L CA 2.688 57.397 54.840 -0.219 0.000 0.745 28 L CB -0.575 41.121 42.059 -0.605 0.000 0.894 28 L HN 0.958 nan 8.230 nan 0.000 0.432 29 E N -0.584 119.578 120.200 -0.064 0.000 2.058 29 E HA -0.268 4.082 4.350 0.000 0.000 0.194 29 E C 1.946 178.549 176.600 0.006 0.000 0.997 29 E CA 1.676 58.062 56.400 -0.023 0.000 0.801 29 E CB -0.162 29.528 29.700 -0.017 0.000 0.746 29 E HN 0.676 nan 8.360 nan 0.000 0.450 30 E N 0.102 120.322 120.200 0.034 0.000 2.051 30 E HA -0.133 4.217 4.350 0.000 0.000 0.192 30 E C 2.343 178.983 176.600 0.066 0.000 0.991 30 E CA 1.188 57.622 56.400 0.057 0.000 0.799 30 E CB -0.039 29.712 29.700 0.084 0.000 0.748 30 E HN 0.156 nan 8.360 nan 0.000 0.449 31 S N 1.143 116.915 115.700 0.120 0.000 2.359 31 S HA -0.141 4.329 4.470 0.000 0.000 0.224 31 S C 2.065 176.599 174.600 -0.110 0.000 1.035 31 S CA 0.926 59.205 58.200 0.132 0.000 1.018 31 S CB -0.223 63.140 63.200 0.271 0.000 0.876 31 S HN 0.186 nan 8.310 nan 0.000 0.448 32 L N 0.957 122.143 121.223 -0.062 0.000 2.093 32 L HA -0.093 4.247 4.340 0.000 0.000 0.208 32 L C 2.455 179.290 176.870 -0.058 0.000 1.085 32 L CA 0.943 55.753 54.840 -0.050 0.000 0.755 32 L CB -0.434 41.633 42.059 0.012 0.000 0.904 32 L HN 0.173 nan 8.230 nan 0.000 0.435 33 K N 0.573 120.942 120.400 -0.052 0.000 2.097 33 K HA -0.123 4.197 4.320 0.000 0.000 0.205 33 K C 2.024 178.572 176.600 -0.087 0.000 1.050 33 K CA 1.172 57.433 56.287 -0.043 0.000 0.938 33 K CB -0.158 32.336 32.500 -0.010 0.000 0.718 33 K HN 0.337 nan 8.250 nan 0.000 0.442 34 K N -0.101 120.217 120.400 -0.137 0.000 2.097 34 K HA -0.152 4.168 4.320 0.000 0.000 0.205 34 K C 2.192 178.538 176.600 -0.423 0.000 1.050 34 K CA 1.167 57.359 56.287 -0.158 0.000 0.938 34 K CB -0.266 32.242 32.500 0.013 0.000 0.718 34 K HN 0.173 nan 8.250 nan 0.000 0.442 35 Y N 1.335 121.055 120.300 -0.965 0.000 2.114 35 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 35 Y C 1.970 177.723 175.900 -0.245 0.000 1.143 35 Y CA 0.982 58.551 58.100 -0.884 0.000 1.135 35 Y CB -0.076 37.956 38.460 -0.713 0.000 0.980 35 Y HN -0.109 nan 8.280 nan 0.000 0.499 36 L N 1.100 122.081 121.223 -0.402 0.000 2.013 36 L HA -0.247 4.094 4.340 0.000 0.000 0.212 36 L C 2.492 179.311 176.870 -0.085 0.000 1.073 36 L CA 2.301 56.969 54.840 -0.286 0.000 0.753 36 L CB -1.626 40.383 42.059 -0.083 0.000 0.890 36 L HN 0.410 nan 8.230 nan 0.000 0.432 37 E N -0.213 119.951 120.200 -0.061 0.000 2.118 37 E HA -0.199 4.151 4.350 0.000 0.000 0.195 37 E C 2.312 178.904 176.600 -0.013 0.000 0.992 37 E CA 1.631 58.019 56.400 -0.021 0.000 0.804 37 E CB -0.163 29.535 29.700 -0.004 0.000 0.741 37 E HN 0.523 nan 8.360 nan 0.000 0.458 38 S N -0.619 115.087 115.700 0.011 0.000 2.453 38 S HA -0.106 4.364 4.470 0.000 0.000 0.231 38 S C 1.975 176.672 174.600 0.161 0.000 1.005 38 S CA 0.993 59.276 58.200 0.138 0.000 0.949 38 S CB -0.407 62.998 63.200 0.342 0.000 0.774 38 S HN 0.285 nan 8.310 nan 0.000 0.510 39 V N -1.232 118.694 119.914 0.020 0.000 3.235 39 V HA 0.244 4.364 4.120 0.000 0.000 0.259 39 V C 2.071 178.241 176.094 0.126 0.000 1.133 39 V CA 0.607 62.996 62.300 0.148 0.000 1.128 39 V CB -0.843 30.946 31.823 -0.057 0.000 0.757 39 V HN 0.285 nan 8.190 nan 0.000 0.469 40 K N 1.278 121.657 120.400 -0.034 0.000 2.089 40 K HA -0.136 4.184 4.320 0.000 0.000 0.210 40 K C -0.093 176.357 176.600 -0.251 0.000 1.048 40 K CA 2.313 58.475 56.287 -0.208 0.000 0.926 40 K CB -1.502 30.816 32.500 -0.303 0.000 0.714 40 K HN 0.482 nan 8.250 nan 0.000 0.448 41 P HA -0.116 nan 4.420 nan 0.000 0.225 41 P C 0.373 177.245 177.300 -0.714 0.000 1.148 41 P CA 1.089 63.800 63.100 -0.649 0.000 0.779 41 P CB 0.105 31.233 31.700 -0.953 0.000 0.780 42 F N -1.954 117.997 119.950 0.001 0.000 2.682 42 F HA 0.435 4.962 4.527 0.000 0.000 0.308 42 F C 1.117 176.928 175.800 0.020 0.000 1.093 42 F CA -0.586 57.423 58.000 0.016 0.000 1.244 42 F CB -0.198 38.809 39.000 0.011 0.000 1.052 42 F HN -0.229 nan 8.300 nan 0.000 0.573 43 A N 0.653 123.543 122.820 0.117 0.000 2.356 43 A HA 0.651 4.971 4.320 0.000 0.000 0.323 43 A C -0.298 177.321 177.584 0.058 0.000 1.119 43 A CA -0.702 51.403 52.037 0.112 0.000 0.790 43 A CB 0.791 19.894 19.000 0.172 0.000 1.273 43 A HN 0.243 nan 8.150 nan 0.000 0.452 44 N N 0.012 118.754 118.700 0.070 0.000 2.447 44 N HA 0.239 4.979 4.740 0.000 0.000 0.271 44 N C 0.377 175.928 175.510 0.069 0.000 1.226 44 N CA -0.194 52.884 53.050 0.047 0.000 0.980 44 N CB 0.311 38.824 38.487 0.043 0.000 1.206 44 N HN 0.641 nan 8.380 nan 0.000 0.558 45 E N -0.714 119.516 120.200 0.051 0.000 2.097 45 E HA -0.225 4.125 4.350 0.000 0.000 0.196 45 E C 0.468 177.127 176.600 0.098 0.000 1.000 45 E CA 1.648 58.092 56.400 0.074 0.000 0.804 45 E CB -0.148 29.578 29.700 0.043 0.000 0.740 45 E HN 0.593 nan 8.360 nan 0.000 0.454 46 D N 0.551 120.991 120.400 0.067 0.000 2.117 46 D HA -0.124 4.516 4.640 0.000 0.000 0.198 46 D C 1.791 178.125 176.300 0.056 0.000 0.982 46 D CA 0.912 54.944 54.000 0.053 0.000 0.828 46 D CB -0.159 40.663 40.800 0.036 0.000 0.967 46 D HN 0.284 nan 8.370 nan 0.000 0.464 47 E N -0.201 120.042 120.200 0.072 0.000 2.110 47 E HA -0.194 4.157 4.350 0.000 0.000 0.193 47 E C 1.965 178.610 176.600 0.075 0.000 0.988 47 E CA 0.603 57.044 56.400 0.069 0.000 0.804 47 E CB -0.152 29.599 29.700 0.085 0.000 0.745 47 E HN 0.308 nan 8.360 nan 0.000 0.458 48 Y N 1.859 122.157 120.300 -0.004 0.000 2.200 48 Y HA -0.174 4.376 4.550 0.000 0.000 0.290 48 Y C 1.956 177.846 175.900 -0.018 0.000 1.137 48 Y CA 1.332 59.421 58.100 -0.019 0.000 1.163 48 Y CB 0.195 38.639 38.460 -0.027 0.000 0.988 48 Y HN -0.204 nan 8.280 nan 0.000 0.518 49 K N 0.765 121.155 120.400 -0.017 0.000 2.097 49 K HA -0.193 4.127 4.320 0.000 0.000 0.206 49 K C 2.077 178.607 176.600 -0.116 0.000 1.049 49 K CA 1.506 57.746 56.287 -0.080 0.000 0.933 49 K CB -0.453 32.053 32.500 0.010 0.000 0.717 49 K HN 0.385 nan 8.250 nan 0.000 0.442 50 K N 0.601 120.957 120.400 -0.073 0.000 2.057 50 K HA -0.092 4.228 4.320 0.000 0.000 0.207 50 K C 1.799 178.342 176.600 -0.096 0.000 1.049 50 K CA 1.606 57.858 56.287 -0.060 0.000 0.931 50 K CB -0.003 32.483 32.500 -0.023 0.000 0.714 50 K HN -0.016 nan 8.250 nan 0.000 0.440 51 T N 1.247 115.714 114.554 -0.145 0.000 2.821 51 T HA -0.092 4.258 4.350 0.000 0.000 0.267 51 T C 1.414 175.985 174.700 -0.214 0.000 1.046 51 T CA 1.345 63.351 62.100 -0.156 0.000 1.139 51 T CB -0.113 68.650 68.868 -0.173 0.000 0.871 51 T HN 0.385 nan 8.240 nan 0.000 0.454 52 E N 0.996 120.983 120.200 -0.353 0.000 2.085 52 E HA -0.175 4.175 4.350 0.000 0.000 0.194 52 E C 2.338 178.855 176.600 -0.139 0.000 0.994 52 E CA 1.183 57.407 56.400 -0.294 0.000 0.801 52 E CB -0.090 29.414 29.700 -0.328 0.000 0.743 52 E HN 0.623 nan 8.360 nan 0.000 0.453 53 E N 0.531 120.665 120.200 -0.109 0.000 2.051 53 E HA -0.173 4.177 4.350 0.000 0.000 0.192 53 E C 2.222 178.802 176.600 -0.033 0.000 0.991 53 E CA 0.817 57.184 56.400 -0.056 0.000 0.799 53 E CB -0.124 29.550 29.700 -0.043 0.000 0.748 53 E HN 0.276 nan 8.360 nan 0.000 0.449 54 I N 0.871 121.415 120.570 -0.043 0.000 2.163 54 I HA -0.271 3.899 4.170 0.000 0.000 0.243 54 I C 2.400 178.515 176.117 -0.004 0.000 1.085 54 I CA 0.937 62.220 61.300 -0.029 0.000 1.347 54 I CB -0.216 37.750 38.000 -0.056 0.000 1.044 54 I HN -0.005 nan 8.210 nan 0.000 0.408 55 V N 0.336 120.239 119.914 -0.018 0.000 2.358 55 V HA -0.314 3.806 4.120 0.000 0.000 0.246 55 V C 2.438 178.576 176.094 0.074 0.000 1.047 55 V CA 2.045 64.361 62.300 0.026 0.000 1.035 55 V CB -0.685 31.149 31.823 0.018 0.000 0.658 55 V HN 0.510 nan 8.190 nan 0.000 0.452 56 Q N 0.350 120.164 119.800 0.023 0.000 2.084 56 Q HA -0.267 4.073 4.340 0.000 0.000 0.202 56 Q C 2.386 178.408 176.000 0.037 0.000 0.978 56 Q CA 2.103 57.918 55.803 0.020 0.000 0.844 56 Q CB -0.189 28.546 28.738 -0.006 0.000 0.898 56 Q HN 0.617 nan 8.270 nan 0.000 0.426 57 K N -0.453 119.973 120.400 0.044 0.000 2.063 57 K HA -0.201 4.119 4.320 0.000 0.000 0.208 57 K C 1.916 178.563 176.600 0.078 0.000 1.048 57 K CA 1.417 57.732 56.287 0.047 0.000 0.928 57 K CB -0.322 32.205 32.500 0.045 0.000 0.713 57 K HN 0.246 nan 8.250 nan 0.000 0.442 58 F N 2.187 122.107 119.950 -0.050 0.000 2.075 58 F HA -0.223 4.304 4.527 0.000 0.000 0.297 58 F C 2.653 178.424 175.800 -0.047 0.000 1.113 58 F CA 2.111 60.078 58.000 -0.055 0.000 1.218 58 F CB -0.520 38.423 39.000 -0.094 0.000 0.984 58 F HN 0.186 nan 8.300 nan 0.000 0.472 59 Q N 0.206 120.036 119.800 0.050 0.000 2.096 59 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 59 Q C 1.811 177.747 176.000 -0.106 0.000 0.982 59 Q CA 2.253 58.020 55.803 -0.061 0.000 0.850 59 Q CB -0.306 28.437 28.738 0.009 0.000 0.901 59 Q HN 0.608 nan 8.270 nan 0.000 0.422 60 E N -0.956 119.207 120.200 -0.062 0.000 2.442 60 E HA 0.051 4.401 4.350 0.000 0.000 0.195 60 E C 0.886 177.444 176.600 -0.070 0.000 1.030 60 E CA 0.343 56.710 56.400 -0.055 0.000 0.869 60 E CB 0.595 30.278 29.700 -0.027 0.000 0.857 60 E HN 0.483 nan 8.360 nan 0.000 0.505 61 G N 0.597 109.337 108.800 -0.100 0.000 3.069 61 G HA2 0.303 4.263 3.960 0.000 0.000 0.205 61 G HA3 0.303 4.263 3.960 0.000 0.000 0.205 61 G C 1.204 176.009 174.900 -0.158 0.000 1.771 61 G CA 0.232 45.275 45.100 -0.096 0.000 0.739 61 G HN 0.150 nan 8.290 nan 0.000 0.784 62 A N 0.143 122.870 122.820 -0.155 0.000 1.940 62 A HA 0.106 4.427 4.320 0.000 0.000 0.219 62 A C 2.526 179.870 177.584 -0.400 0.000 1.176 62 A CA 2.503 54.435 52.037 -0.176 0.000 0.631 62 A CB -1.183 17.787 19.000 -0.051 0.000 0.814 62 A HN 0.940 nan 8.150 nan 0.000 0.446 63 G N -0.362 107.869 108.800 -0.948 0.000 2.408 63 G HA2 -0.246 3.715 3.960 0.000 0.000 0.217 63 G HA3 -0.246 3.715 3.960 0.000 0.000 0.217 63 G C 1.603 176.150 174.900 -0.587 0.000 1.150 63 G CA 1.401 45.549 45.100 -1.587 0.000 0.776 63 G HN 0.557 nan 8.290 nan 0.000 0.542 64 K N 0.721 120.897 120.400 -0.373 0.000 2.057 64 K HA 0.010 4.330 4.320 0.000 0.000 0.207 64 K C 2.567 179.135 176.600 -0.054 0.000 1.049 64 K CA 1.029 57.232 56.287 -0.140 0.000 0.931 64 K CB -0.279 32.156 32.500 -0.108 0.000 0.714 64 K HN 0.233 nan 8.250 nan 0.000 0.440 65 R N -0.021 120.423 120.500 -0.095 0.000 2.075 65 R HA -0.037 4.303 4.340 0.000 0.000 0.232 65 R C 2.373 178.658 176.300 -0.025 0.000 1.126 65 R CA 1.586 57.657 56.100 -0.047 0.000 0.963 65 R CB -0.466 29.804 30.300 -0.049 0.000 0.858 65 R HN 0.206 nan 8.270 nan 0.000 0.435 66 L N -0.724 120.474 121.223 -0.042 0.000 2.046 66 L HA -0.202 4.138 4.340 0.000 0.000 0.208 66 L C 2.543 179.447 176.870 0.057 0.000 1.077 66 L CA 1.483 56.334 54.840 0.019 0.000 0.747 66 L CB -0.580 41.505 42.059 0.043 0.000 0.896 66 L HN 0.269 nan 8.230 nan 0.000 0.432 67 H N 0.197 119.251 119.070 -0.026 0.000 2.387 67 H HA -0.171 4.385 4.556 0.000 0.000 0.299 67 H C 2.318 177.643 175.328 -0.005 0.000 1.090 67 H CA 1.716 57.780 56.048 0.028 0.000 1.332 67 H CB 0.114 29.899 29.762 0.038 0.000 1.386 67 H HN 0.309 nan 8.280 nan 0.000 0.516 68 Q N -0.188 119.586 119.800 -0.043 0.000 2.170 68 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 68 Q C 2.010 177.944 176.000 -0.111 0.000 0.976 68 Q CA 1.051 56.800 55.803 -0.091 0.000 0.858 68 Q CB 0.153 28.881 28.738 -0.018 0.000 0.907 68 Q HN 0.255 nan 8.270 nan 0.000 0.433 69 K N 0.571 120.933 120.400 -0.063 0.000 2.155 69 K HA -0.088 4.232 4.320 0.000 0.000 0.203 69 K C 1.951 178.515 176.600 -0.061 0.000 1.052 69 K CA 0.524 56.791 56.287 -0.033 0.000 0.948 69 K CB -0.199 32.314 32.500 0.023 0.000 0.728 69 K HN 0.152 nan 8.250 nan 0.000 0.448 70 L N 1.121 122.272 121.223 -0.121 0.000 2.056 70 L HA -0.070 4.270 4.340 0.000 0.000 0.207 70 L C 2.011 178.680 176.870 -0.335 0.000 1.078 70 L CA 1.342 56.060 54.840 -0.203 0.000 0.749 70 L CB -0.439 41.458 42.059 -0.271 0.000 0.901 70 L HN 0.042 nan 8.230 nan 0.000 0.433 71 L N -0.557 120.435 121.223 -0.384 0.000 2.083 71 L HA -0.233 4.107 4.340 0.000 0.000 0.209 71 L C 2.559 179.320 176.870 -0.181 0.000 1.083 71 L CA 1.701 56.352 54.840 -0.315 0.000 0.752 71 L CB -0.567 41.322 42.059 -0.284 0.000 0.899 71 L HN 0.444 nan 8.230 nan 0.000 0.433 72 E N 0.446 120.565 120.200 -0.136 0.000 2.051 72 E HA -0.276 4.074 4.350 0.000 0.000 0.192 72 E C 2.393 178.951 176.600 -0.071 0.000 0.991 72 E CA 1.090 57.443 56.400 -0.080 0.000 0.799 72 E CB 0.000 29.669 29.700 -0.052 0.000 0.748 72 E HN 0.261 nan 8.360 nan 0.000 0.449 73 R N 0.104 120.555 120.500 -0.081 0.000 2.091 73 R HA -0.148 4.193 4.340 0.000 0.000 0.238 73 R C 2.169 178.438 176.300 -0.050 0.000 1.136 73 R CA 1.377 57.433 56.100 -0.073 0.000 0.959 73 R CB -0.341 29.899 30.300 -0.099 0.000 0.856 73 R HN 0.227 nan 8.270 nan 0.000 0.437 74 A N 1.035 123.810 122.820 -0.076 0.000 2.015 74 A HA -0.099 4.221 4.320 0.000 0.000 0.219 74 A C 2.096 179.682 177.584 0.003 0.000 1.163 74 A CA 0.865 52.903 52.037 0.002 0.000 0.646 74 A CB -0.416 18.523 19.000 -0.102 0.000 0.806 74 A HN 0.305 nan 8.150 nan 0.000 0.448 75 R N -0.869 119.612 120.500 -0.032 0.000 2.105 75 R HA -0.137 4.203 4.340 0.000 0.000 0.239 75 R C 1.822 178.113 176.300 -0.015 0.000 1.135 75 R CA 1.310 57.396 56.100 -0.023 0.000 0.967 75 R CB -0.409 29.873 30.300 -0.031 0.000 0.861 75 R HN 0.507 nan 8.270 nan 0.000 0.442 76 G N 0.511 109.302 108.800 -0.016 0.000 3.371 76 G HA2 0.089 4.049 3.960 0.000 0.000 0.248 76 G HA3 0.089 4.049 3.960 0.000 0.000 0.248 76 G C -0.227 174.666 174.900 -0.013 0.000 1.161 76 G CA -0.170 44.920 45.100 -0.017 0.000 0.796 76 G HN 0.092 nan 8.290 nan 0.000 0.539 77 K N -0.328 120.075 120.400 0.005 0.000 2.501 77 K HA 0.328 4.648 4.320 0.000 0.000 0.252 77 K C 0.337 176.954 176.600 0.029 0.000 0.934 77 K CA -0.847 55.450 56.287 0.017 0.000 0.797 77 K CB 2.250 34.775 32.500 0.041 0.000 1.270 77 K HN -0.094 nan 8.250 nan 0.000 0.431 78 R N 0.658 121.145 120.500 -0.022 0.000 2.189 78 R HA -0.017 4.323 4.340 0.000 0.000 0.218 78 R C 0.429 176.806 176.300 0.128 0.000 1.074 78 R CA 0.695 56.772 56.100 -0.038 0.000 0.991 78 R CB 0.076 30.134 30.300 -0.403 0.000 0.883 78 R HN 0.382 nan 8.270 nan 0.000 0.457 79 N N 0.122 118.899 118.700 0.128 0.000 2.664 79 N HA -0.022 4.718 4.740 0.000 0.000 0.268 79 N C 0.226 175.721 175.510 -0.025 0.000 1.222 79 N CA -0.398 52.679 53.050 0.044 0.000 0.805 79 N CB 0.587 39.134 38.487 0.099 0.000 1.399 79 N HN 0.217 nan 8.380 nan 0.000 0.547 80 W N 3.431 124.723 121.300 -0.014 0.000 2.525 80 W HA -0.034 4.626 4.660 0.000 0.000 0.259 80 W C 0.454 176.916 176.519 -0.094 0.000 1.253 80 W CA 0.113 57.399 57.345 -0.099 0.000 1.262 80 W CB -0.154 29.252 29.460 -0.090 0.000 1.122 80 W HN 0.385 nan 8.180 nan 0.000 0.607 81 L N 1.280 122.135 121.223 -0.613 0.000 2.357 81 L HA 0.126 4.466 4.340 0.000 0.000 0.211 81 L C 2.638 179.500 176.870 -0.013 0.000 1.075 81 L CA 1.833 56.400 54.840 -0.455 0.000 0.830 81 L CB -0.803 40.598 42.059 -1.096 0.000 0.996 81 L HN -0.012 nan 8.230 nan 0.000 0.467 82 E N 0.233 120.412 120.200 -0.034 0.000 2.132 82 E HA -0.402 3.948 4.350 0.000 0.000 0.218 82 E C 2.003 178.734 176.600 0.219 0.000 1.058 82 E CA 2.446 58.921 56.400 0.126 0.000 0.882 82 E CB -0.278 29.499 29.700 0.128 0.000 0.774 82 E HN 0.686 nan 8.360 nan 0.000 0.467 83 E N -0.750 119.541 120.200 0.152 0.000 2.051 83 E HA -0.198 4.152 4.350 0.000 0.000 0.192 83 E C 1.928 178.713 176.600 0.309 0.000 0.991 83 E CA 1.309 57.812 56.400 0.171 0.000 0.799 83 E CB -0.259 29.483 29.700 0.071 0.000 0.748 83 E HN 0.435 nan 8.360 nan 0.000 0.449 84 W N 0.839 122.251 121.300 0.186 0.000 2.335 84 W HA -0.197 4.463 4.660 0.000 0.000 0.311 84 W C 2.240 178.894 176.519 0.225 0.000 1.213 84 W CA 0.630 58.093 57.345 0.196 0.000 1.274 84 W CB -1.432 28.175 29.460 0.246 0.000 1.148 84 W HN 0.393 nan 8.180 nan 0.000 0.498 85 W N 0.534 122.019 121.300 0.308 0.000 2.354 85 W HA -0.256 4.404 4.660 0.000 0.000 0.315 85 W C 2.206 178.857 176.519 0.221 0.000 1.206 85 W CA 1.456 58.921 57.345 0.200 0.000 1.290 85 W CB -0.767 28.786 29.460 0.156 0.000 1.152 85 W HN -0.177 nan 8.180 nan 0.000 0.489 86 L N 1.851 123.245 121.223 0.285 0.000 2.013 86 L HA -0.266 4.074 4.340 0.000 0.000 0.212 86 L C 1.891 178.837 176.870 0.127 0.000 1.073 86 L CA 2.693 57.657 54.840 0.208 0.000 0.753 86 L CB -1.367 40.807 42.059 0.190 0.000 0.890 86 L HN 0.015 nan 8.230 nan 0.000 0.432 87 N N -1.400 117.377 118.700 0.128 0.000 2.062 87 N HA -0.144 4.596 4.740 0.000 0.000 0.191 87 N C 1.700 177.207 175.510 -0.005 0.000 1.042 87 N CA 1.448 54.549 53.050 0.085 0.000 0.845 87 N CB -0.142 38.428 38.487 0.138 0.000 1.024 87 N HN 0.210 nan 8.380 nan 0.000 0.424 88 V N 1.122 121.018 119.914 -0.029 0.000 2.427 88 V HA -0.120 4.000 4.120 0.000 0.000 0.248 88 V C 2.149 178.062 176.094 -0.302 0.000 1.051 88 V CA 1.802 64.030 62.300 -0.120 0.000 1.048 88 V CB -0.692 31.085 31.823 -0.076 0.000 0.666 88 V HN 0.355 nan 8.190 nan 0.000 0.456 89 A N -2.153 120.308 122.820 -0.597 0.000 2.072 89 A HA 0.037 4.357 4.320 0.000 0.000 0.216 89 A C 1.780 178.719 177.584 -1.075 0.000 1.156 89 A CA 1.211 52.593 52.037 -1.093 0.000 0.701 89 A CB -0.141 17.517 19.000 -2.236 0.000 0.816 89 A HN 0.597 nan 8.150 nan 0.000 0.458 90 Y N -1.928 118.186 120.300 -0.309 0.000 3.208 90 Y HA 0.280 4.830 4.550 0.000 0.000 0.205 90 Y C 1.839 177.689 175.900 -0.083 0.000 0.923 90 Y CA -0.169 57.826 58.100 -0.174 0.000 1.596 90 Y CB -0.205 38.165 38.460 -0.151 0.000 1.478 90 Y HN -0.003 nan 8.280 nan 0.000 0.409 91 L N 0.665 121.965 121.223 0.129 0.000 2.187 91 L HA -0.186 4.154 4.340 0.000 0.000 0.213 91 L C 1.016 177.910 176.870 0.041 0.000 1.100 91 L CA 1.564 56.451 54.840 0.079 0.000 0.765 91 L CB -0.335 41.767 42.059 0.072 0.000 0.904 91 L HN 0.309 nan 8.230 nan 0.000 0.437 92 D N -0.567 119.841 120.400 0.014 0.000 2.305 92 D HA 0.022 4.662 4.640 0.000 0.000 0.206 92 D C 0.852 177.146 176.300 -0.010 0.000 0.974 92 D CA 0.297 54.297 54.000 -0.000 0.000 0.871 92 D CB 0.119 40.911 40.800 -0.014 0.000 0.947 92 D HN -0.000 nan 8.370 nan 0.000 0.516 93 V N 2.473 122.375 119.914 -0.020 0.000 2.617 93 V HA -0.047 4.073 4.120 0.000 0.000 0.304 93 V C 1.585 177.684 176.094 0.008 0.000 1.040 93 V CA 0.338 62.625 62.300 -0.021 0.000 1.149 93 V CB 1.086 32.886 31.823 -0.038 0.000 0.914 93 V HN 0.057 nan 8.190 nan 0.000 0.487 94 R N 3.516 124.019 120.500 0.004 0.000 2.265 94 R HA 0.237 4.577 4.340 0.000 0.000 0.194 94 R C 0.804 177.118 176.300 0.023 0.000 0.931 94 R CA 0.157 56.267 56.100 0.016 0.000 1.032 94 R CB -0.241 30.061 30.300 0.005 0.000 0.980 94 R HN 0.839 nan 8.270 nan 0.000 0.497 95 I N 0.950 121.531 120.570 0.018 0.000 2.993 95 I HA 0.164 4.334 4.170 0.000 0.000 0.286 95 I C -2.108 174.036 176.117 0.044 0.000 1.215 95 I CA -1.971 59.342 61.300 0.021 0.000 1.393 95 I CB -0.222 37.789 38.000 0.017 0.000 1.371 95 I HN -0.269 nan 8.210 nan 0.000 0.602 96 P HA 0.007 nan 4.420 nan 0.000 0.260 96 P C 0.439 177.789 177.300 0.084 0.000 1.207 96 P CA 0.170 63.306 63.100 0.060 0.000 0.780 96 P CB 0.705 32.441 31.700 0.060 0.000 0.789 97 S N 2.706 118.456 115.700 0.083 0.000 2.436 97 S HA -0.191 4.279 4.470 0.000 0.000 0.228 97 S C 1.835 176.495 174.600 0.099 0.000 1.014 97 S CA 0.497 58.759 58.200 0.103 0.000 0.950 97 S CB -0.682 62.583 63.200 0.108 0.000 0.784 97 S HN 0.425 nan 8.310 nan 0.000 0.504 98 Q N 0.479 120.316 119.800 0.062 0.000 2.030 98 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 98 Q C 2.156 178.238 176.000 0.135 0.000 0.986 98 Q CA 1.832 57.663 55.803 0.047 0.000 0.843 98 Q CB -0.243 28.464 28.738 -0.053 0.000 0.904 98 Q HN 0.580 nan 8.270 nan 0.000 0.420 99 L N 0.468 121.815 121.223 0.206 0.000 2.102 99 L HA -0.002 4.338 4.340 0.000 0.000 0.202 99 L C 1.435 178.436 176.870 0.219 0.000 1.076 99 L CA 1.595 56.573 54.840 0.229 0.000 0.761 99 L CB -0.339 41.844 42.059 0.208 0.000 0.921 99 L HN 0.185 nan 8.230 nan 0.000 0.444 100 N N -1.028 117.804 118.700 0.219 0.000 2.463 100 N HA 0.001 4.742 4.740 0.000 0.000 0.181 100 N C 1.277 176.914 175.510 0.211 0.000 1.078 100 N CA 1.252 54.450 53.050 0.247 0.000 0.902 100 N CB 0.830 39.449 38.487 0.220 0.000 0.970 100 N HN 0.345 nan 8.380 nan 0.000 0.451 101 V N -0.105 119.926 119.914 0.194 0.000 3.159 101 V HA 0.069 4.189 4.120 0.000 0.000 0.234 101 V C 0.664 176.924 176.094 0.277 0.000 1.313 101 V CA -0.266 62.175 62.300 0.235 0.000 1.271 101 V CB 0.131 32.094 31.823 0.233 0.000 1.053 101 V HN 0.134 nan 8.190 nan 0.000 0.476 102 N N 1.472 120.275 118.700 0.172 0.000 2.345 102 N HA 0.170 4.910 4.740 0.000 0.000 0.243 102 N C -0.828 174.733 175.510 0.084 0.000 1.246 102 N CA 0.300 53.385 53.050 0.058 0.000 0.863 102 N CB 0.426 38.900 38.487 -0.023 0.000 1.096 102 N HN 0.431 nan 8.380 nan 0.000 0.446 103 F N -0.481 119.462 119.950 -0.011 0.000 2.470 103 F HA 0.702 5.229 4.527 0.000 0.000 0.329 103 F C -0.098 175.671 175.800 -0.052 0.000 1.072 103 F CA -1.164 56.779 58.000 -0.096 0.000 0.989 103 F CB 0.449 39.287 39.000 -0.271 0.000 1.193 103 F HN 0.119 nan 8.300 nan 0.000 0.481 104 V N -0.593 119.457 119.914 0.226 0.000 3.001 104 V HA 1.059 5.180 4.120 0.000 0.000 0.314 104 V C -0.537 175.707 176.094 0.250 0.000 1.099 104 V CA -0.661 61.748 62.300 0.181 0.000 0.989 104 V CB 1.341 33.264 31.823 0.166 0.000 1.040 104 V HN 1.446 nan 8.190 nan 0.000 0.434 105 G N 1.693 110.598 108.800 0.175 0.000 2.711 105 G HA2 0.694 4.654 3.960 0.000 0.000 0.288 105 G HA3 0.694 4.654 3.960 0.000 0.000 0.288 105 G C -3.450 171.472 174.900 0.037 0.000 1.451 105 G CA -1.398 43.786 45.100 0.141 0.000 1.186 105 G HN 0.651 nan 8.290 nan 0.000 0.560 106 P HA 0.296 nan 4.420 nan 0.000 0.275 106 P C -0.006 177.273 177.300 -0.035 0.000 1.227 106 P CA -0.394 62.656 63.100 -0.083 0.000 0.781 106 P CB 0.939 32.481 31.700 -0.263 0.000 0.906 107 C N 6.115 125.423 119.300 0.013 0.000 2.464 107 C HA 0.173 4.634 4.460 0.000 0.000 0.370 107 C C -0.814 173.957 174.990 -0.366 0.000 1.267 107 C CA -0.797 58.089 59.018 -0.220 0.000 1.781 107 C CB -0.130 27.521 27.740 -0.147 0.000 2.431 107 C HN 0.537 nan 8.230 nan 0.000 0.556 108 P HA -0.042 nan 4.420 nan 0.000 0.271 108 P C 0.392 177.312 177.300 -0.634 0.000 1.535 108 P CA 0.920 63.654 63.100 -0.610 0.000 0.820 108 P CB -0.457 31.024 31.700 -0.365 0.000 1.606 109 H N -0.928 117.952 119.070 -0.317 0.000 2.512 109 H HA 0.013 4.569 4.556 0.000 0.000 0.279 109 H C 1.512 176.564 175.328 -0.459 0.000 0.999 109 H CA 0.500 56.258 56.048 -0.482 0.000 1.283 109 H CB -0.458 29.280 29.762 -0.040 0.000 1.421 109 H HN 0.291 nan 8.280 nan 0.000 0.554 110 F N 0.658 120.581 119.950 -0.046 0.000 2.802 110 F HA 0.100 4.627 4.527 0.000 0.000 0.300 110 F C 1.771 177.522 175.800 -0.081 0.000 1.168 110 F CA 0.294 58.293 58.000 -0.001 0.000 1.433 110 F CB -0.092 38.922 39.000 0.023 0.000 1.115 110 F HN 0.054 nan 8.300 nan 0.000 0.582 111 E N 0.145 119.973 120.200 -0.621 0.000 2.358 111 E HA -0.103 4.247 4.350 0.000 0.000 0.195 111 E C 1.282 177.790 176.600 -0.153 0.000 1.010 111 E CA 0.851 57.034 56.400 -0.361 0.000 0.856 111 E CB 0.071 29.538 29.700 -0.389 0.000 0.795 111 E HN 0.776 nan 8.360 nan 0.000 0.504 112 H N -3.481 115.514 119.070 -0.125 0.000 5.287 112 H HA 0.020 4.576 4.556 0.000 0.000 0.087 112 H C 1.058 176.306 175.328 -0.134 0.000 1.311 112 H CA -0.258 55.653 56.048 -0.228 0.000 0.349 112 H CB -0.520 28.974 29.762 -0.446 0.000 1.660 112 H HN -0.033 nan 8.280 nan 0.000 0.106 113 Y N -0.022 120.446 120.300 0.280 0.000 2.421 113 Y HA -0.047 4.503 4.550 0.000 0.000 0.292 113 Y C 0.421 176.562 175.900 0.401 0.000 1.136 113 Y CA 0.443 58.685 58.100 0.237 0.000 1.255 113 Y CB 0.120 38.661 38.460 0.136 0.000 0.991 113 Y HN 0.342 nan 8.280 nan 0.000 0.552 114 W N 2.543 123.973 121.300 0.216 0.000 1.986 114 W HA 0.373 5.034 4.660 0.000 0.000 0.287 114 W C -2.513 174.128 176.519 0.203 0.000 0.866 114 W CA -3.476 54.003 57.345 0.223 0.000 2.056 114 W CB -0.519 29.114 29.460 0.288 0.000 2.290 114 W HN -0.118 nan 8.180 nan 0.000 0.396 115 P HA 0.165 nan 4.420 nan 0.000 0.272 115 P C 0.247 177.666 177.300 0.199 0.000 1.240 115 P CA -0.043 63.218 63.100 0.268 0.000 0.791 115 P CB 1.138 32.951 31.700 0.189 0.000 0.978 116 A N 2.225 125.109 122.820 0.106 0.000 2.546 116 A HA 0.186 4.506 4.320 0.000 0.000 0.243 116 A C 0.581 178.178 177.584 0.023 0.000 1.063 116 A CA 0.484 52.527 52.037 0.010 0.000 0.757 116 A CB -0.705 18.235 19.000 -0.101 0.000 0.991 116 A HN 0.669 nan 8.150 nan 0.000 0.503 117 R N 2.317 122.821 120.500 0.007 0.000 2.560 117 R HA 0.207 4.547 4.340 0.000 0.000 0.267 117 R C -1.149 175.141 176.300 -0.018 0.000 1.150 117 R CA -0.567 55.537 56.100 0.006 0.000 0.997 117 R CB 0.993 31.309 30.300 0.028 0.000 1.250 117 R HN 0.760 nan 8.270 nan 0.000 0.433 118 E N 1.392 121.583 120.200 -0.015 0.000 2.404 118 E HA 0.166 4.516 4.350 0.000 0.000 0.261 118 E C 0.881 177.463 176.600 -0.030 0.000 1.074 118 E CA 1.446 57.832 56.400 -0.023 0.000 0.917 118 E CB 1.027 30.720 29.700 -0.012 0.000 0.965 118 E HN 0.895 nan 8.360 nan 0.000 0.433 119 G N 1.827 110.600 108.800 -0.044 0.000 2.179 119 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 119 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 119 G C 0.844 175.703 174.900 -0.069 0.000 0.977 119 G CA 0.952 46.020 45.100 -0.053 0.000 0.641 119 G HN 0.576 nan 8.290 nan 0.000 0.533 120 T N -2.527 111.979 114.554 -0.079 0.000 3.054 120 T HA 0.333 4.684 4.350 0.000 0.000 0.255 120 T C 1.672 176.305 174.700 -0.111 0.000 1.035 120 T CA 1.118 63.157 62.100 -0.102 0.000 0.941 120 T CB 0.522 69.319 68.868 -0.118 0.000 1.026 120 T HN 0.440 nan 8.240 nan 0.000 0.533 121 Q N 1.083 120.818 119.800 -0.108 0.000 2.045 121 Q HA -0.098 4.242 4.340 0.000 0.000 0.206 121 Q C 2.006 178.010 176.000 0.008 0.000 0.991 121 Q CA 1.870 57.618 55.803 -0.092 0.000 0.851 121 Q CB -0.424 28.237 28.738 -0.128 0.000 0.911 121 Q HN 0.624 nan 8.270 nan 0.000 0.418 122 L N 0.007 121.198 121.223 -0.053 0.000 2.056 122 L HA -0.141 4.199 4.340 0.000 0.000 0.207 122 L C 2.486 179.349 176.870 -0.012 0.000 1.078 122 L CA 1.185 56.015 54.840 -0.017 0.000 0.749 122 L CB -0.546 41.459 42.059 -0.089 0.000 0.901 122 L HN 0.296 nan 8.230 nan 0.000 0.433 123 E N 0.366 120.533 120.200 -0.056 0.000 2.031 123 E HA -0.213 4.138 4.350 0.000 0.000 0.193 123 E C 2.393 178.934 176.600 -0.100 0.000 0.994 123 E CA 1.233 57.588 56.400 -0.074 0.000 0.800 123 E CB -0.026 29.625 29.700 -0.082 0.000 0.752 123 E HN 0.409 nan 8.360 nan 0.000 0.447 124 R N -0.087 120.306 120.500 -0.179 0.000 2.096 124 R HA -0.084 4.256 4.340 0.000 0.000 0.235 124 R C 2.487 178.749 176.300 -0.064 0.000 1.127 124 R CA 1.011 56.867 56.100 -0.407 0.000 0.968 124 R CB -0.448 29.456 30.300 -0.659 0.000 0.861 124 R HN 0.188 nan 8.270 nan 0.000 0.440 125 G N 1.285 110.222 108.800 0.229 0.000 2.442 125 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 125 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 125 G C 0.779 175.712 174.900 0.056 0.000 1.141 125 G CA 0.826 46.118 45.100 0.320 0.000 0.763 125 G HN 0.456 nan 8.290 nan 0.000 0.554 130 W N 2.366 123.649 121.300 -0.028 0.000 2.335 130 W HA -0.180 4.480 4.660 0.000 0.000 0.311 130 W C 1.847 178.430 176.519 0.106 0.000 1.213 130 W CA 2.416 59.738 57.345 -0.039 0.000 1.274 130 W CB -0.308 29.009 29.460 -0.239 0.000 1.148 130 W HN 0.319 nan 8.180 nan 0.000 0.498 131 H N -0.168 118.971 119.070 0.116 0.000 2.357 131 H HA -0.122 4.434 4.556 0.000 0.000 0.301 131 H C 2.292 177.747 175.328 0.211 0.000 1.082 131 H CA 1.590 57.673 56.048 0.058 0.000 1.342 131 H CB -0.333 29.492 29.762 0.104 0.000 1.389 131 H HN 0.136 nan 8.280 nan 0.000 0.511 132 N N 0.657 119.560 118.700 0.338 0.000 2.120 132 N HA -0.127 4.613 4.740 0.000 0.000 0.188 132 N C 1.835 177.591 175.510 0.409 0.000 1.024 132 N CA 0.924 54.179 53.050 0.342 0.000 0.852 132 N CB -0.019 38.583 38.487 0.192 0.000 1.003 132 N HN 0.302 nan 8.380 nan 0.000 0.424 133 L N 1.102 122.527 121.223 0.337 0.000 2.141 133 L HA -0.094 4.246 4.340 0.000 0.000 0.209 133 L C 2.019 179.010 176.870 0.201 0.000 1.094 133 L CA 0.679 55.695 54.840 0.294 0.000 0.763 133 L CB -0.351 41.846 42.059 0.230 0.000 0.908 133 L HN 0.167 nan 8.230 nan 0.000 0.437 134 N N -0.582 118.137 118.700 0.031 0.000 2.188 134 N HA -0.224 4.517 4.740 0.000 0.000 0.184 134 N C 1.843 177.362 175.510 0.015 0.000 1.018 134 N CA 1.244 54.259 53.050 -0.059 0.000 0.858 134 N CB -0.091 38.310 38.487 -0.143 0.000 0.989 134 N HN 0.349 nan 8.380 nan 0.000 0.426 135 Y N 0.013 120.289 120.300 -0.040 0.000 2.181 135 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 135 Y C 2.374 178.257 175.900 -0.028 0.000 1.146 135 Y CA 1.500 59.471 58.100 -0.216 0.000 1.164 135 Y CB -0.304 38.099 38.460 -0.095 0.000 0.982 135 Y HN 0.157 nan 8.280 nan 0.000 0.515 136 W N 1.517 122.731 121.300 -0.144 0.000 2.335 136 W HA -0.237 4.424 4.660 0.000 0.000 0.311 136 W C 2.115 178.474 176.519 -0.266 0.000 1.213 136 W CA 2.209 59.191 57.345 -0.604 0.000 1.274 136 W CB -0.651 28.157 29.460 -1.087 0.000 1.148 136 W HN 0.128 nan 8.180 nan 0.000 0.498 137 Q N 0.206 119.732 119.800 -0.456 0.000 2.096 137 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 137 Q C 2.375 178.113 176.000 -0.437 0.000 0.982 137 Q CA 2.107 57.533 55.803 -0.628 0.000 0.850 137 Q CB -0.652 27.875 28.738 -0.351 0.000 0.901 137 Q HN 0.418 nan 8.270 nan 0.000 0.422 138 L N 0.303 121.314 121.223 -0.352 0.000 2.046 138 L HA -0.218 4.122 4.340 0.000 0.000 0.208 138 L C 2.390 179.067 176.870 -0.322 0.000 1.077 138 L CA 0.905 55.541 54.840 -0.340 0.000 0.747 138 L CB -0.358 41.435 42.059 -0.445 0.000 0.896 138 L HN 0.285 nan 8.230 nan 0.000 0.432 139 L N -0.596 120.434 121.223 -0.322 0.000 2.027 139 L HA -0.226 4.114 4.340 0.000 0.000 0.206 139 L C 2.844 179.772 176.870 0.096 0.000 1.074 139 L CA 1.281 56.051 54.840 -0.116 0.000 0.745 139 L CB -0.265 41.804 42.059 0.016 0.000 0.898 139 L HN 0.229 nan 8.230 nan 0.000 0.433 140 R N -0.341 120.125 120.500 -0.056 0.000 2.152 140 R HA -0.134 4.206 4.340 0.000 0.000 0.232 140 R C 1.994 178.221 176.300 -0.121 0.000 1.117 140 R CA 1.130 57.172 56.100 -0.096 0.000 0.981 140 R CB 0.051 30.059 30.300 -0.487 0.000 0.870 140 R HN 0.321 nan 8.270 nan 0.000 0.451 141 R N 0.028 120.429 120.500 -0.164 0.000 2.317 141 R HA 0.059 4.399 4.340 0.000 0.000 0.208 141 R C -0.235 176.014 176.300 -0.085 0.000 0.914 141 R CA 0.118 56.141 56.100 -0.129 0.000 1.060 141 R CB 0.335 30.542 30.300 -0.156 0.000 1.015 141 R HN 0.202 nan 8.270 nan 0.000 0.498 142 E N 0.496 120.661 120.200 -0.058 0.000 2.476 142 E HA -0.214 4.136 4.350 0.000 0.000 0.251 142 E C 0.049 176.560 176.600 -0.149 0.000 1.130 142 E CA 0.293 56.649 56.400 -0.074 0.000 0.736 142 E CB -0.437 29.270 29.700 0.011 0.000 1.298 142 E HN 0.112 nan 8.360 nan 0.000 0.400 143 K N -0.005 120.288 120.400 -0.179 0.000 2.374 143 K HA 0.136 4.456 4.320 0.000 0.000 0.196 143 K C 0.429 176.902 176.600 -0.213 0.000 1.023 143 K CA -0.151 56.035 56.287 -0.169 0.000 1.103 143 K CB 0.163 32.575 32.500 -0.145 0.000 0.848 143 K HN 0.140 nan 8.250 nan 0.000 0.528 144 L N 2.900 123.939 121.223 -0.306 0.000 2.361 144 L HA 0.191 4.531 4.340 0.000 0.000 0.278 144 L C -2.421 174.271 176.870 -0.297 0.000 1.113 144 L CA -1.812 52.807 54.840 -0.369 0.000 0.849 144 L CB 0.508 42.225 42.059 -0.570 0.000 1.155 144 L HN -0.110 nan 8.230 nan 0.000 0.452 145 P HA -0.004 nan 4.420 nan 0.000 0.266 145 P C -0.904 176.342 177.300 -0.090 0.000 1.195 145 P CA -0.178 62.867 63.100 -0.093 0.000 0.768 145 P CB 0.423 32.110 31.700 -0.021 0.000 0.838 146 V N 4.620 124.508 119.914 -0.044 0.000 2.572 146 V HA 0.008 4.128 4.120 0.000 0.000 0.291 146 V C 0.650 176.817 176.094 0.123 0.000 1.039 146 V CA -0.006 62.288 62.300 -0.011 0.000 1.055 146 V CB -0.502 31.392 31.823 0.118 0.000 0.969 146 V HN 0.520 nan 8.190 nan 0.000 0.482 147 H N 4.248 123.267 119.070 -0.085 0.000 2.764 147 H HA 0.475 5.032 4.556 0.000 0.000 0.341 147 H C 0.075 175.370 175.328 -0.055 0.000 1.072 147 H CA -0.001 56.015 56.048 -0.053 0.000 1.444 147 H CB 0.331 30.080 29.762 -0.022 0.000 1.458 147 H HN 0.565 nan 8.280 nan 0.000 0.572 148 K N 0.981 121.404 120.400 0.039 0.000 2.469 148 K HA 0.367 4.687 4.320 0.000 0.000 0.254 148 K C -0.637 175.949 176.600 -0.023 0.000 0.939 148 K CA -0.822 55.457 56.287 -0.013 0.000 0.812 148 K CB 2.706 35.188 32.500 -0.029 0.000 1.301 148 K HN 0.428 nan 8.250 nan 0.000 0.433 149 S N 1.393 117.089 115.700 -0.007 0.000 2.423 149 S HA 0.533 5.003 4.470 0.000 0.000 0.317 149 S C 0.593 175.224 174.600 0.052 0.000 1.065 149 S CA 0.692 58.916 58.200 0.039 0.000 1.111 149 S CB -0.008 63.273 63.200 0.135 0.000 0.968 149 S HN 0.897 nan 8.310 nan 0.000 0.474 150 G N 4.914 113.730 108.800 0.027 0.000 2.609 150 G HA2 -0.321 3.639 3.960 0.000 0.000 0.288 150 G HA3 -0.321 3.639 3.960 0.000 0.000 0.288 150 G C 0.452 175.351 174.900 -0.003 0.000 1.211 150 G CA 0.435 45.545 45.100 0.017 0.000 0.963 150 G HN 0.724 nan 8.290 nan 0.000 0.541 151 N N 0.570 119.265 118.700 -0.009 0.000 2.241 151 N HA 0.239 4.979 4.740 0.000 0.000 0.238 151 N C -0.359 175.111 175.510 -0.065 0.000 1.244 151 N CA 0.506 53.537 53.050 -0.032 0.000 0.880 151 N CB 0.532 39.003 38.487 -0.026 0.000 1.179 151 N HN 0.464 nan 8.380 nan 0.000 0.513 152 T N 2.462 116.990 114.554 -0.043 0.000 2.743 152 T HA 0.334 4.684 4.350 0.000 0.000 0.293 152 T C -2.620 172.023 174.700 -0.094 0.000 0.945 152 T CA -1.066 60.995 62.100 -0.066 0.000 1.030 152 T CB 1.751 70.626 68.868 0.011 0.000 0.912 152 T HN 0.083 nan 8.240 nan 0.000 0.483 153 P HA 0.202 nan 4.420 nan 0.000 0.267 153 P C -0.674 176.581 177.300 -0.074 0.000 1.200 153 P CA -0.113 62.871 63.100 -0.192 0.000 0.772 153 P CB 0.513 31.951 31.700 -0.436 0.000 0.855 154 L N 1.492 122.696 121.223 -0.032 0.000 2.319 154 L HA 0.447 4.787 4.340 0.000 0.000 0.267 154 L C 0.783 177.666 176.870 0.022 0.000 1.011 154 L CA -0.972 53.838 54.840 -0.050 0.000 0.818 154 L CB 1.593 43.606 42.059 -0.077 0.000 1.316 154 L HN 0.317 nan 8.230 nan 0.000 0.432 158 Q N 0.035 119.870 119.800 0.057 0.000 2.234 158 Q HA -0.019 4.321 4.340 0.000 0.000 0.206 158 Q C 1.075 177.076 176.000 0.000 0.000 0.980 158 Q CA 1.527 57.335 55.803 0.009 0.000 0.869 158 Q CB -0.161 28.560 28.738 -0.028 0.000 0.912 158 Q HN 0.358 nan 8.270 nan 0.000 0.436 159 F N 0.699 120.709 119.950 0.100 0.000 2.333 159 F HA -0.087 4.440 4.527 0.000 0.000 0.300 159 F C 1.370 177.165 175.800 -0.008 0.000 1.083 159 F CA 0.706 58.746 58.000 0.066 0.000 1.395 159 F CB 0.025 39.038 39.000 0.023 0.000 1.056 159 F HN -0.057 nan 8.300 nan 0.000 0.529 163 F N 1.392 121.314 119.950 -0.046 0.000 2.470 163 F HA 0.614 5.141 4.527 0.000 0.000 0.329 163 F C 1.528 177.411 175.800 0.138 0.000 1.072 163 F CA -0.304 57.748 58.000 0.085 0.000 0.989 163 F CB 1.543 40.633 39.000 0.150 0.000 1.193 163 F HN -0.039 nan 8.300 nan 0.000 0.481 164 S N 0.618 116.514 115.700 0.327 0.000 3.559 164 S HA -0.165 4.305 4.470 0.000 0.000 0.369 164 S C -0.296 174.504 174.600 0.333 0.000 0.987 164 S CA 0.862 59.224 58.200 0.270 0.000 1.187 164 S CB -1.774 61.606 63.200 0.300 0.000 0.914 164 S HN 0.715 nan 8.310 nan 0.000 0.480 165 T N 0.846 115.523 114.554 0.207 0.000 2.881 165 T HA 0.629 4.979 4.350 0.000 0.000 0.290 165 T C -0.453 174.317 174.700 0.116 0.000 1.000 165 T CA -0.437 61.730 62.100 0.110 0.000 0.978 165 T CB 1.977 70.815 68.868 -0.050 0.000 0.997 165 T HN 0.498 nan 8.240 nan 0.000 0.443 166 C N 3.268 122.647 119.300 0.132 0.000 2.985 166 C HA 0.674 5.134 4.460 0.000 0.000 0.332 166 C C -0.756 174.324 174.990 0.150 0.000 1.164 166 C CA -0.959 58.169 59.018 0.183 0.000 1.347 166 C CB 1.367 29.272 27.740 0.275 0.000 1.764 166 C HN 1.075 nan 8.230 nan 0.000 0.489 167 K N 2.935 123.434 120.400 0.166 0.000 2.118 167 K HA 0.763 5.083 4.320 0.000 0.000 0.264 167 K C -1.189 175.519 176.600 0.181 0.000 1.000 167 K CA -0.321 56.044 56.287 0.130 0.000 0.929 167 K CB 1.085 33.652 32.500 0.112 0.000 1.021 167 K HN 0.569 nan 8.250 nan 0.000 0.463 168 V N 5.691 125.667 119.914 0.104 0.000 2.531 168 V HA 0.374 4.494 4.120 0.000 0.000 0.301 168 V C -2.266 173.804 176.094 -0.041 0.000 1.034 168 V CA -1.944 60.388 62.300 0.052 0.000 0.865 168 V CB 1.546 33.392 31.823 0.037 0.000 0.995 168 V HN 0.891 nan 8.190 nan 0.000 0.424 169 P HA 0.288 nan 4.420 nan 0.000 0.271 169 P C -0.169 177.023 177.300 -0.181 0.000 1.216 169 P CA 0.301 63.269 63.100 -0.220 0.000 0.776 169 P CB 1.476 32.842 31.700 -0.556 0.000 0.881 170 G N 2.118 110.862 108.800 -0.092 0.000 2.533 170 G HA2 0.388 4.348 3.960 0.000 0.000 0.304 170 G HA3 0.388 4.348 3.960 0.000 0.000 0.304 170 G C 0.955 175.827 174.900 -0.047 0.000 1.263 170 G CA -0.712 44.348 45.100 -0.066 0.000 0.964 170 G HN 0.278 nan 8.290 nan 0.000 0.479 171 I N 0.516 121.064 120.570 -0.037 0.000 2.208 171 I HA -0.131 4.039 4.170 0.000 0.000 0.245 171 I C 2.617 178.729 176.117 -0.009 0.000 1.097 171 I CA 2.414 63.701 61.300 -0.021 0.000 1.363 171 I CB -0.829 37.162 38.000 -0.015 0.000 1.051 171 I HN 0.676 nan 8.210 nan 0.000 0.413 172 T N -3.082 111.468 114.554 -0.006 0.000 2.964 172 T HA 0.180 4.530 4.350 0.000 0.000 0.250 172 T C 0.918 175.621 174.700 0.005 0.000 0.982 172 T CA -0.369 61.731 62.100 0.000 0.000 0.959 172 T CB 0.692 69.561 68.868 0.002 0.000 1.141 172 T HN 0.182 nan 8.240 nan 0.000 0.494 173 R N 1.078 121.581 120.500 0.006 0.000 2.533 173 R HA 0.469 4.809 4.340 0.000 0.000 0.288 173 R C -1.759 174.547 176.300 0.010 0.000 1.039 173 R CA -0.468 55.640 56.100 0.015 0.000 0.909 173 R CB 1.399 31.714 30.300 0.024 0.000 1.195 173 R HN 0.040 nan 8.270 nan 0.000 0.438 174 D N 1.191 121.603 120.400 0.019 0.000 2.398 174 D HA 0.264 4.904 4.640 0.000 0.000 0.247 174 D C -0.186 176.127 176.300 0.021 0.000 1.227 174 D CA 0.145 54.155 54.000 0.015 0.000 0.980 174 D CB 1.356 42.178 40.800 0.037 0.000 1.106 174 D HN 0.597 nan 8.370 nan 0.000 0.493 175 S N -0.713 114.998 115.700 0.017 0.000 2.595 175 S HA 0.683 5.154 4.470 0.000 0.000 0.281 175 S C -0.704 173.904 174.600 0.013 0.000 1.117 175 S CA -0.901 57.308 58.200 0.015 0.000 0.873 175 S CB 1.366 64.570 63.200 0.006 0.000 1.108 175 S HN 0.258 nan 8.310 nan 0.000 0.477 179 Y N 1.889 122.252 120.300 0.105 0.000 2.457 179 Y HA 0.343 4.893 4.550 0.000 0.000 0.263 179 Y C 0.677 176.648 175.900 0.118 0.000 1.164 179 Y CA -0.513 57.643 58.100 0.092 0.000 1.274 179 Y CB 0.045 38.551 38.460 0.078 0.000 1.097 179 Y HN 0.500 nan 8.280 nan 0.000 0.523 180 F N 2.666 122.722 119.950 0.178 0.000 2.553 180 F HA 0.334 4.861 4.527 0.000 0.000 0.356 180 F C -0.060 175.800 175.800 0.100 0.000 1.142 180 F CA -0.256 57.848 58.000 0.173 0.000 1.322 180 F CB 0.427 39.553 39.000 0.209 0.000 1.126 180 F HN -0.168 nan 8.300 nan 0.000 0.599 181 K N 3.229 122.950 120.400 -1.130 0.000 2.543 181 K HA 0.263 4.583 4.320 0.000 0.000 0.255 181 K C -0.746 175.220 176.600 -1.056 0.000 0.934 181 K CA -0.865 54.920 56.287 -0.837 0.000 0.810 181 K CB 1.963 34.256 32.500 -0.346 0.000 1.315 181 K HN 0.746 nan 8.250 nan 0.000 0.433 182 T N -1.538 112.642 114.554 -0.624 0.000 2.788 182 T HA 0.133 4.483 4.350 0.000 0.000 0.287 182 T C 1.097 175.662 174.700 -0.224 0.000 1.007 182 T CA -0.398 61.518 62.100 -0.306 0.000 1.005 182 T CB 0.791 69.629 68.868 -0.049 0.000 1.012 182 T HN 0.580 nan 8.240 nan 0.000 0.530 183 E N 0.488 120.597 120.200 -0.153 0.000 2.118 183 E HA -0.122 4.228 4.350 0.000 0.000 0.195 183 E C 2.377 178.929 176.600 -0.080 0.000 0.992 183 E CA 1.344 57.675 56.400 -0.116 0.000 0.804 183 E CB -0.234 29.403 29.700 -0.104 0.000 0.741 183 E HN 0.634 nan 8.360 nan 0.000 0.458 184 S N 0.920 116.581 115.700 -0.066 0.000 2.423 184 S HA -0.128 4.342 4.470 0.000 0.000 0.231 184 S C 1.673 176.243 174.600 -0.051 0.000 1.014 184 S CA 0.945 59.117 58.200 -0.045 0.000 0.965 184 S CB -0.059 63.124 63.200 -0.027 0.000 0.785 184 S HN 0.272 nan 8.310 nan 0.000 0.495 185 E N 0.125 120.278 120.200 -0.079 0.000 2.318 185 E HA 0.308 4.658 4.350 0.000 0.000 0.193 185 E C 1.159 177.722 176.600 -0.061 0.000 0.998 185 E CA 0.340 56.693 56.400 -0.078 0.000 0.859 185 E CB 0.304 29.931 29.700 -0.122 0.000 0.812 185 E HN 0.474 nan 8.360 nan 0.000 0.492 186 G N 0.104 108.866 108.800 -0.063 0.000 2.247 186 G HA2 -0.172 3.788 3.960 0.000 0.000 0.229 186 G HA3 -0.172 3.788 3.960 0.000 0.000 0.229 186 G C -1.439 173.464 174.900 0.005 0.000 1.345 186 G CA -0.629 44.464 45.100 -0.013 0.000 1.100 186 G HN 0.226 nan 8.290 nan 0.000 0.473 187 H N -0.470 118.582 119.070 -0.030 0.000 2.683 187 H HA 0.616 5.172 4.556 0.000 0.000 0.339 187 H C 0.118 175.450 175.328 0.007 0.000 1.081 187 H CA 0.529 56.575 56.048 -0.003 0.000 1.432 187 H CB 0.985 30.755 29.762 0.013 0.000 1.462 187 H HN 0.846 nan 8.280 nan 0.000 0.557 188 C N 7.674 126.576 119.300 -0.663 0.000 2.507 188 C HA 0.535 4.995 4.460 0.000 0.000 0.319 188 C C -2.493 172.157 174.990 -0.566 0.000 1.208 188 C CA -1.966 56.821 59.018 -0.385 0.000 1.619 188 C CB 0.705 28.422 27.740 -0.038 0.000 2.230 188 C HN 0.771 nan 8.230 nan 0.000 0.492 189 P HA 0.148 nan 4.420 nan 0.000 0.268 189 P C 0.208 177.423 177.300 -0.142 0.000 1.208 189 P CA 0.621 63.663 63.100 -0.098 0.000 0.777 189 P CB 0.487 32.155 31.700 -0.054 0.000 0.875 190 T N -2.918 111.619 114.554 -0.028 0.000 3.288 190 T HA 0.149 4.499 4.350 0.000 0.000 0.293 190 T C 0.245 174.831 174.700 -0.189 0.000 1.008 190 T CA -0.317 61.689 62.100 -0.156 0.000 0.929 190 T CB -0.666 68.260 68.868 0.096 0.000 1.152 190 T HN 0.502 nan 8.240 nan 0.000 0.517 191 H N 0.727 119.611 119.070 -0.310 0.000 2.670 191 H HA 0.783 5.339 4.556 0.000 0.000 0.361 191 H C -0.489 174.541 175.328 -0.497 0.000 1.169 191 H CA -1.551 54.289 56.048 -0.347 0.000 1.198 191 H CB 1.801 31.419 29.762 -0.239 0.000 1.700 191 H HN 0.448 nan 8.280 nan 0.000 0.542 192 I N -0.933 119.219 120.570 -0.697 0.000 2.910 192 I HA 0.834 5.004 4.170 0.000 0.000 0.310 192 I C -0.815 174.976 176.117 -0.543 0.000 1.043 192 I CA -1.441 59.369 61.300 -0.817 0.000 1.053 192 I CB 2.195 39.569 38.000 -1.043 0.000 1.242 192 I HN 0.700 nan 8.210 nan 0.000 0.452 193 A N 3.436 126.027 122.820 -0.382 0.000 2.331 193 A HA 0.774 5.094 4.320 0.000 0.000 0.320 193 A C -0.881 176.686 177.584 -0.028 0.000 1.138 193 A CA -0.595 51.349 52.037 -0.155 0.000 0.790 193 A CB 1.523 20.437 19.000 -0.143 0.000 1.206 193 A HN 0.542 nan 8.150 nan 0.000 0.470 194 V N 3.727 123.712 119.914 0.119 0.000 2.448 194 V HA 0.389 4.509 4.120 0.000 0.000 0.295 194 V C -0.372 175.898 176.094 0.294 0.000 1.025 194 V CA -0.308 62.148 62.300 0.260 0.000 0.859 194 V CB 1.346 33.378 31.823 0.350 0.000 0.988 194 V HN 0.772 nan 8.190 nan 0.000 0.431 195 L N 4.507 125.864 121.223 0.223 0.000 2.295 195 L HA 0.702 5.042 4.340 0.000 0.000 0.285 195 L C -0.430 176.543 176.870 0.172 0.000 1.035 195 L CA -0.241 54.721 54.840 0.205 0.000 0.806 195 L CB 1.584 43.734 42.059 0.152 0.000 1.214 195 L HN 0.729 nan 8.230 nan 0.000 0.426 196 C N 3.957 123.382 119.300 0.207 0.000 2.752 196 C HA 0.377 4.838 4.460 0.000 0.000 0.360 196 C C 0.309 175.375 174.990 0.126 0.000 1.081 196 C CA -0.775 58.328 59.018 0.141 0.000 1.272 196 C CB 1.130 28.949 27.740 0.131 0.000 1.754 196 C HN 0.977 nan 8.230 nan 0.000 0.483 197 R N 3.801 124.335 120.500 0.058 0.000 3.109 197 R HA -0.188 4.152 4.340 0.000 0.000 0.241 197 R C 1.213 177.548 176.300 0.058 0.000 0.882 197 R CA 1.185 57.308 56.100 0.039 0.000 0.604 197 R CB -1.495 28.811 30.300 0.009 0.000 1.040 197 R HN 2.041 nan 8.270 nan 0.000 0.480 198 G N -0.251 108.582 108.800 0.056 0.000 2.187 198 G HA2 -0.387 3.573 3.960 0.000 0.000 0.261 198 G HA3 -0.387 3.573 3.960 0.000 0.000 0.261 198 G C 0.150 175.099 174.900 0.081 0.000 1.000 198 G CA 0.982 46.113 45.100 0.051 0.000 0.718 198 G HN 0.528 nan 8.290 nan 0.000 0.519 199 R N -0.642 119.932 120.500 0.122 0.000 2.888 199 R HA 0.842 5.182 4.340 0.000 0.000 0.266 199 R C -0.261 176.122 176.300 0.138 0.000 1.020 199 R CA -0.194 55.970 56.100 0.106 0.000 0.963 199 R CB 1.880 32.256 30.300 0.126 0.000 1.197 199 R HN 0.671 nan 8.270 nan 0.000 0.481 200 A N 1.424 124.221 122.820 -0.038 0.000 2.414 200 A HA 0.806 5.126 4.320 0.000 0.000 0.306 200 A C -1.502 175.919 177.584 -0.271 0.000 1.054 200 A CA -0.509 51.545 52.037 0.030 0.000 0.724 200 A CB 0.872 19.937 19.000 0.109 0.000 1.267 200 A HN 0.487 nan 8.150 nan 0.000 0.418 201 F N 0.303 120.305 119.950 0.087 0.000 2.629 201 F HA 0.723 5.251 4.527 0.000 0.000 0.316 201 F C 0.112 175.950 175.800 0.062 0.000 1.081 201 F CA -0.675 57.385 58.000 0.100 0.000 0.954 201 F CB 2.499 41.611 39.000 0.187 0.000 1.337 201 F HN 0.630 nan 8.300 nan 0.000 0.474 202 V N -0.046 120.025 119.914 0.262 0.000 3.049 202 V HA 0.918 5.038 4.120 0.000 0.000 0.309 202 V C -1.430 174.795 176.094 0.218 0.000 1.148 202 V CA -1.297 61.066 62.300 0.105 0.000 0.990 202 V CB 1.999 33.842 31.823 0.034 0.000 1.039 202 V HN 0.867 nan 8.190 nan 0.000 0.430 203 F N -0.658 119.323 119.950 0.051 0.000 2.688 203 F HA 0.672 5.199 4.527 0.000 0.000 0.308 203 F C -0.958 174.850 175.800 0.014 0.000 1.117 203 F CA -0.797 57.211 58.000 0.014 0.000 0.976 203 F CB 1.351 40.345 39.000 -0.011 0.000 1.291 203 F HN 0.719 nan 8.300 nan 0.000 0.439 204 D N 1.518 122.068 120.400 0.250 0.000 2.341 204 D HA 0.222 4.862 4.640 0.000 0.000 0.245 204 D C 0.961 177.395 176.300 0.223 0.000 1.106 204 D CA 0.099 54.192 54.000 0.155 0.000 0.905 204 D CB 2.240 43.123 40.800 0.139 0.000 1.202 204 D HN 0.699 nan 8.370 nan 0.000 0.426 205 V N 1.733 121.704 119.914 0.095 0.000 3.647 205 V HA 0.283 4.404 4.120 0.000 0.000 0.279 205 V C 0.553 176.766 176.094 0.197 0.000 1.314 205 V CA 0.015 62.400 62.300 0.141 0.000 1.125 205 V CB -0.408 31.408 31.823 -0.011 0.000 0.907 205 V HN 0.298 nan 8.190 nan 0.000 0.434 206 L N 1.250 122.591 121.223 0.196 0.000 2.334 206 L HA 0.705 5.045 4.340 0.000 0.000 0.276 206 L C -0.784 176.223 176.870 0.229 0.000 1.014 206 L CA -0.697 54.271 54.840 0.214 0.000 0.815 206 L CB 1.705 43.884 42.059 0.200 0.000 1.268 206 L HN 0.269 nan 8.230 nan 0.000 0.428 207 H N 2.031 121.160 119.070 0.098 0.000 2.934 207 H HA 0.210 4.766 4.556 0.000 0.000 0.340 207 H C -0.784 174.580 175.328 0.061 0.000 1.008 207 H CA -0.559 55.529 56.048 0.066 0.000 1.317 207 H CB 1.071 30.861 29.762 0.048 0.000 1.670 207 H HN 0.658 nan 8.280 nan 0.000 0.516 208 E N 3.672 123.650 120.200 -0.371 0.000 2.360 208 E HA -0.275 4.075 4.350 0.000 0.000 0.238 208 E C 0.895 177.458 176.600 -0.063 0.000 1.186 208 E CA 0.895 57.148 56.400 -0.244 0.000 0.719 208 E CB -1.368 28.160 29.700 -0.286 0.000 1.236 208 E HN 1.196 nan 8.360 nan 0.000 0.386 209 G N -1.452 107.342 108.800 -0.011 0.000 2.253 209 G HA2 -0.420 3.540 3.960 0.000 0.000 0.251 209 G HA3 -0.420 3.540 3.960 0.000 0.000 0.251 209 G C 0.521 175.462 174.900 0.069 0.000 0.998 209 G CA 0.402 45.520 45.100 0.030 0.000 0.621 209 G HN 1.053 nan 8.290 nan 0.000 0.524 210 C N -0.577 118.782 119.300 0.100 0.000 2.719 210 C HA 0.890 5.350 4.460 0.000 0.000 0.327 210 C C 0.531 175.642 174.990 0.201 0.000 1.238 210 C CA -1.768 57.334 59.018 0.142 0.000 1.727 210 C CB 1.208 29.036 27.740 0.147 0.000 2.256 210 C HN 0.828 nan 8.230 nan 0.000 0.489 211 L N 2.953 124.318 121.223 0.237 0.000 2.499 211 L HA 0.334 4.674 4.340 0.000 0.000 0.273 211 L C 0.627 177.700 176.870 0.338 0.000 1.195 211 L CA 0.120 55.141 54.840 0.300 0.000 0.882 211 L CB 0.143 42.381 42.059 0.298 0.000 1.133 211 L HN 0.735 nan 8.230 nan 0.000 0.483 212 I N 1.121 121.855 120.570 0.274 0.000 2.779 212 I HA 0.327 4.497 4.170 0.000 0.000 0.285 212 I C 0.592 176.798 176.117 0.148 0.000 1.134 212 I CA -0.469 60.931 61.300 0.166 0.000 1.398 212 I CB 0.607 38.658 38.000 0.085 0.000 1.404 212 I HN 0.723 nan 8.210 nan 0.000 0.587 213 T N 1.154 115.628 114.554 -0.133 0.000 2.881 213 T HA 0.404 4.754 4.350 0.000 0.000 0.278 213 T C -1.870 172.400 174.700 -0.716 0.000 0.982 213 T CA -1.715 60.004 62.100 -0.635 0.000 0.989 213 T CB 1.314 69.732 68.868 -0.749 0.000 1.058 213 T HN 0.442 nan 8.240 nan 0.000 0.529 214 P HA -0.038 nan 4.420 nan 0.000 0.215 214 P C -1.538 175.408 177.300 -0.590 0.000 1.157 214 P CA 1.406 63.981 63.100 -0.874 0.000 0.874 214 P CB -1.154 29.819 31.700 -1.212 0.000 0.790 215 P HA -0.167 nan 4.420 nan 0.000 0.215 215 P C 1.349 178.493 177.300 -0.261 0.000 1.153 215 P CA 1.571 64.471 63.100 -0.333 0.000 0.853 215 P CB -0.402 31.153 31.700 -0.241 0.000 0.788 216 E N -0.784 119.247 120.200 -0.282 0.000 2.107 216 E HA -0.070 4.280 4.350 0.000 0.000 0.191 216 E C 1.999 178.448 176.600 -0.252 0.000 0.982 216 E CA 0.725 56.982 56.400 -0.239 0.000 0.809 216 E CB -0.596 28.977 29.700 -0.211 0.000 0.756 216 E HN 0.231 nan 8.360 nan 0.000 0.459 217 L N 0.685 121.769 121.223 -0.231 0.000 2.093 217 L HA -0.162 4.178 4.340 0.000 0.000 0.208 217 L C 2.457 179.217 176.870 -0.183 0.000 1.085 217 L CA 0.357 55.088 54.840 -0.181 0.000 0.755 217 L CB -0.234 41.774 42.059 -0.085 0.000 0.904 217 L HN 0.178 nan 8.230 nan 0.000 0.435 218 L N -0.077 121.037 121.223 -0.182 0.000 2.083 218 L HA -0.197 4.144 4.340 0.000 0.000 0.209 218 L C 2.674 179.468 176.870 -0.126 0.000 1.083 218 L CA 1.646 56.406 54.840 -0.134 0.000 0.752 218 L CB -0.617 41.360 42.059 -0.135 0.000 0.899 218 L HN 0.129 nan 8.230 nan 0.000 0.433 219 R N -1.142 119.261 120.500 -0.161 0.000 2.075 219 R HA -0.150 4.190 4.340 0.000 0.000 0.232 219 R C 2.185 178.388 176.300 -0.162 0.000 1.126 219 R CA 1.456 57.469 56.100 -0.144 0.000 0.963 219 R CB -0.105 30.093 30.300 -0.170 0.000 0.858 219 R HN 0.491 nan 8.270 nan 0.000 0.435 220 Q N 0.614 120.236 119.800 -0.297 0.000 2.061 220 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 220 Q C 2.322 178.226 176.000 -0.161 0.000 0.984 220 Q CA 1.371 56.924 55.803 -0.417 0.000 0.846 220 Q CB -0.355 27.750 28.738 -1.056 0.000 0.902 220 Q HN 0.416 nan 8.270 nan 0.000 0.421 221 L N 0.271 121.441 121.223 -0.090 0.000 2.093 221 L HA -0.154 4.186 4.340 0.000 0.000 0.208 221 L C 2.437 179.332 176.870 0.041 0.000 1.085 221 L CA 1.332 56.193 54.840 0.036 0.000 0.755 221 L CB -0.712 41.390 42.059 0.072 0.000 0.904 221 L HN 0.218 nan 8.230 nan 0.000 0.435 222 T N -1.161 113.398 114.554 0.009 0.000 2.746 222 T HA -0.252 4.098 4.350 0.000 0.000 0.267 222 T C 1.684 176.408 174.700 0.041 0.000 1.039 222 T CA 1.495 63.609 62.100 0.024 0.000 1.142 222 T CB -0.379 68.485 68.868 -0.006 0.000 0.866 222 T HN 0.357 nan 8.240 nan 0.000 0.444 223 Y N 1.660 121.900 120.300 -0.101 0.000 2.128 223 Y HA -0.139 4.411 4.550 0.000 0.000 0.284 223 Y C 2.003 177.804 175.900 -0.165 0.000 1.154 223 Y CA 1.127 59.156 58.100 -0.118 0.000 1.149 223 Y CB -0.488 37.885 38.460 -0.145 0.000 0.976 223 Y HN 0.159 nan 8.280 nan 0.000 0.505 224 I N -0.446 120.028 120.570 -0.161 0.000 2.142 224 I HA -0.346 3.824 4.170 0.000 0.000 0.240 224 I C 2.432 178.363 176.117 -0.311 0.000 1.078 224 I CA 1.999 63.022 61.300 -0.462 0.000 1.343 224 I CB -0.633 37.136 38.000 -0.385 0.000 1.046 224 I HN 0.310 nan 8.210 nan 0.000 0.405 225 H N 1.413 120.375 119.070 -0.180 0.000 2.353 225 H HA -0.144 4.412 4.556 0.000 0.000 0.300 225 H C 2.195 177.450 175.328 -0.122 0.000 1.090 225 H CA 1.650 57.633 56.048 -0.109 0.000 1.327 225 H CB 0.214 29.946 29.762 -0.050 0.000 1.383 225 H HN -0.007 nan 8.280 nan 0.000 0.508 226 K N 0.770 121.139 120.400 -0.052 0.000 2.026 226 K HA -0.169 4.151 4.320 0.000 0.000 0.208 226 K C 2.221 178.710 176.600 -0.185 0.000 1.048 226 K CA 1.503 57.735 56.287 -0.091 0.000 0.929 226 K CB -0.411 32.044 32.500 -0.076 0.000 0.713 226 K HN 0.388 nan 8.250 nan 0.000 0.439 227 K N 0.715 120.937 120.400 -0.297 0.000 2.097 227 K HA -0.127 4.193 4.320 0.000 0.000 0.206 227 K C 2.109 178.613 176.600 -0.160 0.000 1.049 227 K CA 1.569 57.691 56.287 -0.276 0.000 0.933 227 K CB -0.059 32.169 32.500 -0.453 0.000 0.717 227 K HN 0.088 nan 8.250 nan 0.000 0.442 228 C N 0.690 119.883 119.300 -0.178 0.000 2.467 228 C HA 0.014 4.474 4.460 0.000 0.000 0.279 228 C C 2.955 177.859 174.990 -0.143 0.000 1.347 228 C CA 0.897 59.851 59.018 -0.107 0.000 1.748 228 C CB -0.586 27.102 27.740 -0.088 0.000 1.977 228 C HN 0.705 nan 8.230 nan 0.000 0.501 229 S N 1.504 117.064 115.700 -0.232 0.000 2.428 229 S HA -0.069 4.401 4.470 0.000 0.000 0.230 229 S C 1.091 175.631 174.600 -0.100 0.000 1.014 229 S CA 1.216 59.297 58.200 -0.197 0.000 0.957 229 S CB -0.494 62.554 63.200 -0.253 0.000 0.784 229 S HN 0.645 nan 8.310 nan 0.000 0.499 230 N N 1.890 120.538 118.700 -0.087 0.000 2.295 230 N HA 0.318 5.058 4.740 0.000 0.000 0.221 230 N C -0.501 174.985 175.510 -0.039 0.000 1.129 230 N CA 0.178 53.196 53.050 -0.053 0.000 0.836 230 N CB 0.413 38.870 38.487 -0.049 0.000 1.040 230 N HN 0.661 nan 8.380 nan 0.000 0.494 231 E N 0.232 120.408 120.200 -0.039 0.000 2.408 231 E HA 0.344 4.694 4.350 0.000 0.000 0.275 231 E C -2.594 173.999 176.600 -0.012 0.000 0.935 231 E CA -1.761 54.628 56.400 -0.019 0.000 0.775 231 E CB 2.487 32.182 29.700 -0.009 0.000 1.277 231 E HN -0.025 nan 8.360 nan 0.000 0.455 232 P HA 0.032 nan 4.420 nan 0.000 0.272 232 P C -0.135 177.170 177.300 0.009 0.000 1.223 232 P CA -0.288 62.813 63.100 0.001 0.000 0.784 232 P CB 0.570 32.273 31.700 0.005 0.000 0.923 233 V N 2.282 122.201 119.914 0.007 0.000 2.720 233 V HA 0.064 4.184 4.120 0.000 0.000 0.307 233 V C 1.710 177.817 176.094 0.022 0.000 1.071 233 V CA 1.005 63.314 62.300 0.014 0.000 1.199 233 V CB -0.321 31.507 31.823 0.008 0.000 0.900 233 V HN 0.874 nan 8.190 nan 0.000 0.494 234 G N 5.483 114.304 108.800 0.035 0.000 2.570 234 G HA2 0.250 4.210 3.960 0.000 0.000 0.276 234 G HA3 0.250 4.210 3.960 0.000 0.000 0.276 234 G C -0.941 173.977 174.900 0.030 0.000 1.346 234 G CA -0.331 44.793 45.100 0.039 0.000 1.034 234 G HN 0.648 nan 8.290 nan 0.000 0.512 235 P HA -0.029 nan 4.420 nan 0.000 0.228 235 P C 0.249 177.540 177.300 -0.015 0.000 1.151 235 P CA 0.988 64.098 63.100 0.018 0.000 0.770 235 P CB 0.104 31.828 31.700 0.040 0.000 0.786 236 S N -1.010 114.684 115.700 -0.010 0.000 3.682 236 S HA -0.124 4.346 4.470 0.000 0.000 0.354 236 S C 1.085 175.618 174.600 -0.113 0.000 1.034 236 S CA 0.133 58.307 58.200 -0.042 0.000 1.084 236 S CB -1.812 61.358 63.200 -0.050 0.000 0.903 236 S HN 0.150 nan 8.310 nan 0.000 0.470 237 I N 0.339 120.818 120.570 -0.151 0.000 2.248 237 I HA -0.270 3.900 4.170 0.000 0.000 0.248 237 I C 2.737 178.664 176.117 -0.316 0.000 1.107 237 I CA 1.932 63.062 61.300 -0.283 0.000 1.373 237 I CB -1.949 35.672 38.000 -0.631 0.000 1.055 237 I HN 0.661 nan 8.210 nan 0.000 0.418 238 A N 1.017 123.747 122.820 -0.149 0.000 1.948 238 A HA -0.212 4.108 4.320 0.000 0.000 0.220 238 A C 2.573 179.833 177.584 -0.539 0.000 1.177 238 A CA 2.100 53.973 52.037 -0.274 0.000 0.636 238 A CB -0.757 18.292 19.000 0.082 0.000 0.815 238 A HN 0.444 nan 8.150 nan 0.000 0.449 239 A N -0.253 122.339 122.820 -0.381 0.000 2.024 239 A HA -0.085 4.235 4.320 0.000 0.000 0.220 239 A C 2.053 179.313 177.584 -0.540 0.000 1.164 239 A CA 1.492 53.294 52.037 -0.392 0.000 0.643 239 A CB -0.624 18.231 19.000 -0.242 0.000 0.806 239 A HN 0.530 nan 8.150 nan 0.000 0.451 240 L N 0.060 120.874 121.223 -0.682 0.000 2.191 240 L HA -0.162 4.178 4.340 0.000 0.000 0.212 240 L C 2.778 178.797 176.870 -1.419 0.000 1.103 240 L CA 1.634 55.948 54.840 -0.876 0.000 0.769 240 L CB -0.948 40.567 42.059 -0.908 0.000 0.908 240 L HN 0.661 nan 8.230 nan 0.000 0.438 241 T N -4.022 109.585 114.554 -1.580 0.000 3.051 241 T HA -0.100 4.250 4.350 0.000 0.000 0.269 241 T C 1.786 176.029 174.700 -0.762 0.000 1.127 241 T CA 0.967 62.180 62.100 -1.479 0.000 1.107 241 T CB -0.289 67.795 68.868 -1.307 0.000 0.898 241 T HN 0.435 nan 8.240 nan 0.000 0.517 242 S N -0.465 114.871 115.700 -0.606 0.000 2.575 242 S HA 0.174 4.644 4.470 0.000 0.000 0.215 242 S C 0.692 175.187 174.600 -0.175 0.000 0.966 242 S CA -0.525 57.460 58.200 -0.357 0.000 0.911 242 S CB -0.094 62.819 63.200 -0.478 0.000 0.780 242 S HN 0.409 nan 8.310 nan 0.000 0.514 243 E N 2.121 122.190 120.200 -0.217 0.000 2.376 243 E HA 0.152 4.502 4.350 0.000 0.000 0.254 243 E C 0.146 176.755 176.600 0.014 0.000 1.213 243 E CA -0.237 56.119 56.400 -0.074 0.000 0.945 243 E CB 0.335 30.000 29.700 -0.057 0.000 1.057 243 E HN 0.393 nan 8.360 nan 0.000 0.479 244 E N 1.312 121.532 120.200 0.033 0.000 2.413 244 E HA -0.109 4.242 4.350 0.000 0.000 0.263 244 E C 0.869 177.525 176.600 0.094 0.000 1.015 244 E CA -0.105 56.323 56.400 0.047 0.000 0.916 244 E CB 0.528 30.243 29.700 0.025 0.000 0.947 244 E HN 0.293 nan 8.360 nan 0.000 0.440 245 R N 2.618 123.175 120.500 0.094 0.000 2.096 245 R HA -0.118 4.222 4.340 0.000 0.000 0.240 245 R C 2.083 178.439 176.300 0.092 0.000 1.139 245 R CA 1.857 58.029 56.100 0.120 0.000 0.952 245 R CB -1.278 29.071 30.300 0.081 0.000 0.854 245 R HN 0.533 nan 8.270 nan 0.000 0.436 246 T N 1.149 115.735 114.554 0.054 0.000 2.821 246 T HA -0.027 4.323 4.350 0.000 0.000 0.267 246 T C 1.923 176.652 174.700 0.049 0.000 1.046 246 T CA 0.989 63.107 62.100 0.031 0.000 1.139 246 T CB -0.040 68.837 68.868 0.016 0.000 0.871 246 T HN 0.296 nan 8.240 nan 0.000 0.454 247 R N -0.060 120.484 120.500 0.074 0.000 2.081 247 R HA -0.050 4.290 4.340 0.000 0.000 0.235 247 R C 2.374 178.777 176.300 0.172 0.000 1.131 247 R CA 1.377 57.529 56.100 0.085 0.000 0.960 247 R CB -0.330 30.007 30.300 0.061 0.000 0.856 247 R HN 0.589 nan 8.270 nan 0.000 0.436 248 W N 1.251 122.526 121.300 -0.042 0.000 2.381 248 W HA -0.172 4.488 4.660 0.000 0.000 0.301 248 W C 1.980 178.486 176.519 -0.023 0.000 1.205 248 W CA 0.822 58.135 57.345 -0.053 0.000 1.285 248 W CB -0.046 29.366 29.460 -0.080 0.000 1.133 248 W HN 0.131 nan 8.180 nan 0.000 0.521 249 A N 1.288 124.044 122.820 -0.106 0.000 1.908 249 A HA -0.253 4.067 4.320 0.000 0.000 0.218 249 A C 1.903 179.405 177.584 -0.137 0.000 1.181 249 A CA 2.181 54.060 52.037 -0.264 0.000 0.627 249 A CB -0.811 18.102 19.000 -0.145 0.000 0.818 249 A HN 0.381 nan 8.150 nan 0.000 0.445 250 K N -0.506 119.882 120.400 -0.020 0.000 2.057 250 K HA 0.025 4.345 4.320 0.000 0.000 0.206 250 K C 2.302 178.950 176.600 0.079 0.000 1.050 250 K CA 0.998 57.299 56.287 0.024 0.000 0.935 250 K CB -0.288 32.230 32.500 0.030 0.000 0.715 250 K HN 0.434 nan 8.250 nan 0.000 0.439 251 A N 1.591 124.487 122.820 0.128 0.000 1.930 251 A HA -0.170 4.150 4.320 0.000 0.000 0.217 251 A C 2.105 179.828 177.584 0.232 0.000 1.175 251 A CA 1.317 53.480 52.037 0.210 0.000 0.627 251 A CB -0.410 18.757 19.000 0.278 0.000 0.815 251 A HN 0.204 nan 8.150 nan 0.000 0.443 252 R N -0.140 120.394 120.500 0.057 0.000 2.073 252 R HA -0.160 4.180 4.340 0.000 0.000 0.234 252 R C 2.042 178.333 176.300 -0.016 0.000 1.134 252 R CA 1.805 57.832 56.100 -0.122 0.000 0.952 252 R CB -0.279 29.575 30.300 -0.744 0.000 0.850 252 R HN 0.676 nan 8.270 nan 0.000 0.433 253 E N -0.827 119.359 120.200 -0.022 0.000 2.085 253 E HA -0.260 4.090 4.350 0.000 0.000 0.194 253 E C 1.735 178.373 176.600 0.064 0.000 0.994 253 E CA 1.588 57.995 56.400 0.012 0.000 0.801 253 E CB -0.233 29.476 29.700 0.014 0.000 0.743 253 E HN 0.407 nan 8.360 nan 0.000 0.453 254 Y N 1.098 121.407 120.300 0.014 0.000 2.145 254 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 254 Y C 2.246 178.175 175.900 0.048 0.000 1.145 254 Y CA 1.352 59.471 58.100 0.030 0.000 1.148 254 Y CB -0.219 38.261 38.460 0.035 0.000 0.981 254 Y HN 0.043 nan 8.280 nan 0.000 0.507 255 L N 0.516 121.844 121.223 0.175 0.000 2.043 255 L HA -0.252 4.088 4.340 0.000 0.000 0.212 255 L C 2.118 179.014 176.870 0.043 0.000 1.075 255 L CA 1.909 56.825 54.840 0.126 0.000 0.752 255 L CB -0.749 41.430 42.059 0.199 0.000 0.891 255 L HN 0.390 nan 8.230 nan 0.000 0.432 256 I N -0.765 119.829 120.570 0.039 0.000 2.315 256 I HA -0.257 3.913 4.170 0.000 0.000 0.248 256 I C 2.504 178.597 176.117 -0.041 0.000 1.117 256 I CA 1.291 62.605 61.300 0.023 0.000 1.404 256 I CB -0.470 37.544 38.000 0.024 0.000 1.071 256 I HN 0.488 nan 8.210 nan 0.000 0.419 257 S N 1.075 116.708 115.700 -0.112 0.000 2.447 257 S HA -0.068 4.402 4.470 0.000 0.000 0.233 257 S C 1.887 176.379 174.600 -0.180 0.000 1.006 257 S CA 0.726 58.834 58.200 -0.154 0.000 0.957 257 S CB -0.599 62.472 63.200 -0.214 0.000 0.773 257 S HN 0.444 nan 8.310 nan 0.000 0.507 258 L N 0.580 121.680 121.223 -0.206 0.000 2.240 258 L HA 0.232 4.572 4.340 0.000 0.000 0.211 258 L C 0.332 177.167 176.870 -0.059 0.000 1.106 258 L CA 0.698 55.450 54.840 -0.148 0.000 0.793 258 L CB -0.259 41.727 42.059 -0.121 0.000 0.927 258 L HN 0.364 nan 8.230 nan 0.000 0.446 259 D N -1.485 118.895 120.400 -0.033 0.000 2.400 259 D HA 0.080 4.720 4.640 0.000 0.000 0.197 259 D C -2.140 174.159 176.300 -0.002 0.000 1.295 259 D CA -1.126 52.867 54.000 -0.011 0.000 0.878 259 D CB 1.498 42.302 40.800 0.007 0.000 1.659 259 D HN -0.291 nan 8.370 nan 0.000 0.546 260 P HA -0.165 nan 4.420 nan 0.000 0.218 260 P C 0.946 178.244 177.300 -0.003 0.000 1.146 260 P CA 0.980 64.077 63.100 -0.006 0.000 0.813 260 P CB 0.513 32.206 31.700 -0.012 0.000 0.778 261 E N -0.771 119.421 120.200 -0.014 0.000 2.338 261 E HA -0.118 4.232 4.350 0.000 0.000 0.197 261 E C 1.724 178.305 176.600 -0.032 0.000 1.007 261 E CA 0.243 56.622 56.400 -0.035 0.000 0.849 261 E CB -0.293 29.374 29.700 -0.055 0.000 0.774 261 E HN 0.218 nan 8.360 nan 0.000 0.506 262 N N 0.705 119.423 118.700 0.029 0.000 2.223 262 N HA -0.151 4.589 4.740 0.000 0.000 0.185 262 N C 1.734 177.336 175.510 0.152 0.000 1.016 262 N CA 0.531 53.659 53.050 0.130 0.000 0.863 262 N CB -0.120 38.513 38.487 0.244 0.000 0.983 262 N HN 0.177 nan 8.380 nan 0.000 0.429 263 L N 1.041 122.317 121.223 0.088 0.000 2.056 263 L HA -0.044 4.296 4.340 0.000 0.000 0.207 263 L C 1.860 178.758 176.870 0.045 0.000 1.078 263 L CA 1.673 56.562 54.840 0.083 0.000 0.749 263 L CB -1.136 40.951 42.059 0.047 0.000 0.901 263 L HN 0.034 nan 8.230 nan 0.000 0.433 264 T N -0.097 114.453 114.554 -0.006 0.000 2.746 264 T HA -0.146 4.204 4.350 0.000 0.000 0.267 264 T C 1.844 176.492 174.700 -0.087 0.000 1.039 264 T CA 1.603 63.673 62.100 -0.050 0.000 1.142 264 T CB -0.292 68.532 68.868 -0.073 0.000 0.866 264 T HN 0.158 nan 8.240 nan 0.000 0.444 265 L N 0.660 121.806 121.223 -0.129 0.000 2.056 265 L HA 0.079 4.420 4.340 0.000 0.000 0.207 265 L C 2.340 179.167 176.870 -0.072 0.000 1.078 265 L CA 1.348 56.035 54.840 -0.255 0.000 0.749 265 L CB -1.040 40.602 42.059 -0.694 0.000 0.901 265 L HN 0.271 nan 8.230 nan 0.000 0.433 266 L N -0.953 120.356 121.223 0.143 0.000 2.042 266 L HA -0.236 4.104 4.340 0.000 0.000 0.210 266 L C 2.398 179.305 176.870 0.062 0.000 1.076 266 L CA 1.290 56.265 54.840 0.225 0.000 0.749 266 L CB -0.510 41.748 42.059 0.330 0.000 0.893 266 L HN 0.360 nan 8.230 nan 0.000 0.432 267 E N -0.052 120.165 120.200 0.029 0.000 2.204 267 E HA -0.201 4.149 4.350 0.000 0.000 0.194 267 E C 2.100 178.641 176.600 -0.098 0.000 0.989 267 E CA 0.735 57.123 56.400 -0.020 0.000 0.824 267 E CB 0.042 29.731 29.700 -0.019 0.000 0.756 267 E HN 0.433 nan 8.360 nan 0.000 0.477 268 K N 0.535 120.873 120.400 -0.104 0.000 2.097 268 K HA -0.088 4.232 4.320 0.000 0.000 0.205 268 K C 2.034 178.622 176.600 -0.021 0.000 1.050 268 K CA 0.903 57.136 56.287 -0.090 0.000 0.938 268 K CB 0.024 32.423 32.500 -0.168 0.000 0.718 268 K HN 0.111 nan 8.250 nan 0.000 0.442 269 I N 0.928 121.396 120.570 -0.170 0.000 2.286 269 I HA -0.257 3.913 4.170 0.000 0.000 0.245 269 I C 2.307 178.264 176.117 -0.266 0.000 1.104 269 I CA 1.150 62.246 61.300 -0.339 0.000 1.397 269 I CB -0.149 37.383 38.000 -0.779 0.000 1.072 269 I HN 0.184 nan 8.210 nan 0.000 0.417 270 Q N 0.196 119.911 119.800 -0.143 0.000 2.096 270 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 270 Q C 2.146 178.155 176.000 0.015 0.000 0.982 270 Q CA 2.301 58.128 55.803 0.041 0.000 0.850 270 Q CB -0.260 28.587 28.738 0.182 0.000 0.901 270 Q HN 0.614 nan 8.270 nan 0.000 0.422 271 T N -1.781 112.626 114.554 -0.245 0.000 3.088 271 T HA 0.039 4.389 4.350 0.000 0.000 0.259 271 T C 0.985 175.520 174.700 -0.275 0.000 1.122 271 T CA 0.153 62.005 62.100 -0.412 0.000 1.095 271 T CB -0.111 68.420 68.868 -0.561 0.000 0.930 271 T HN 0.201 nan 8.240 nan 0.000 0.508 272 S N 1.311 116.794 115.700 -0.363 0.000 2.563 272 S HA 0.225 4.695 4.470 0.000 0.000 0.284 272 S C 1.337 175.689 174.600 -0.414 0.000 1.331 272 S CA -0.698 57.058 58.200 -0.740 0.000 1.047 272 S CB 0.310 63.184 63.200 -0.543 0.000 0.859 272 S HN 0.347 nan 8.310 nan 0.000 0.514 273 L N 0.959 121.854 121.223 -0.546 0.000 2.051 273 L HA -0.023 4.317 4.340 0.000 0.000 0.214 273 L C 0.658 177.650 176.870 0.203 0.000 1.076 273 L CA 1.657 56.338 54.840 -0.264 0.000 0.758 273 L CB -0.687 40.978 42.059 -0.657 0.000 0.890 273 L HN 0.891 nan 8.230 nan 0.000 0.433 274 F N -5.376 114.579 119.950 0.009 0.000 2.807 274 F HA 0.570 5.097 4.527 0.000 0.000 0.316 274 F C -1.171 174.650 175.800 0.034 0.000 1.162 274 F CA -1.604 56.476 58.000 0.133 0.000 0.910 274 F CB 0.736 39.973 39.000 0.395 0.000 1.314 274 F HN -0.515 nan 8.300 nan 0.000 0.454 275 V N 2.018 122.130 119.914 0.330 0.000 2.427 275 V HA 0.351 4.471 4.120 0.000 0.000 0.286 275 V C -1.370 174.938 176.094 0.356 0.000 1.034 275 V CA -0.590 61.828 62.300 0.197 0.000 0.893 275 V CB 1.316 33.226 31.823 0.144 0.000 0.982 275 V HN 0.745 nan 8.190 nan 0.000 0.452 276 Y N 3.557 123.953 120.300 0.161 0.000 2.328 276 Y HA 0.565 5.115 4.550 0.000 0.000 0.337 276 Y C 0.288 176.258 175.900 0.118 0.000 0.966 276 Y CA -0.370 57.847 58.100 0.196 0.000 1.136 276 Y CB 1.658 40.257 38.460 0.231 0.000 1.170 276 Y HN 0.619 nan 8.280 nan 0.000 0.470 277 S N 7.083 122.583 115.700 -0.333 0.000 2.451 277 S HA 0.552 5.022 4.470 0.000 0.000 0.301 277 S C -0.557 173.791 174.600 -0.420 0.000 1.116 277 S CA -0.667 57.373 58.200 -0.267 0.000 1.093 277 S CB 0.715 63.797 63.200 -0.198 0.000 1.017 277 S HN 0.585 nan 8.310 nan 0.000 0.482 278 I N 3.233 123.682 120.570 -0.202 0.000 2.307 278 I HA 0.268 4.438 4.170 0.000 0.000 0.289 278 I C 0.327 176.376 176.117 -0.112 0.000 1.021 278 I CA -0.260 60.954 61.300 -0.142 0.000 1.224 278 I CB 0.654 38.686 38.000 0.053 0.000 1.376 278 I HN 0.454 nan 8.210 nan 0.000 0.470 279 E N 5.059 125.144 120.200 -0.192 0.000 2.214 279 E HA 0.205 4.555 4.350 0.000 0.000 0.274 279 E C -0.471 176.130 176.600 0.001 0.000 0.977 279 E CA -0.448 55.885 56.400 -0.112 0.000 0.827 279 E CB 1.982 31.546 29.700 -0.227 0.000 1.130 279 E HN 0.456 nan 8.360 nan 0.000 0.394 280 D N 0.418 120.849 120.400 0.052 0.000 2.369 280 D HA 0.020 4.660 4.640 0.000 0.000 0.211 280 D C 0.426 176.777 176.300 0.085 0.000 1.077 280 D CA 0.245 54.288 54.000 0.072 0.000 0.842 280 D CB 0.415 41.250 40.800 0.059 0.000 0.947 280 D HN 0.254 nan 8.370 nan 0.000 0.509 281 S N -0.653 115.130 115.700 0.137 0.000 2.669 281 S HA 0.566 5.036 4.470 0.000 0.000 0.270 281 S C 0.252 174.918 174.600 0.111 0.000 1.225 281 S CA -0.582 57.692 58.200 0.123 0.000 0.991 281 S CB 1.954 65.240 63.200 0.144 0.000 0.987 281 S HN -0.153 nan 8.310 nan 0.000 0.552 282 S N 2.811 118.501 115.700 -0.016 0.000 2.539 282 S HA 0.397 4.867 4.470 0.000 0.000 0.235 282 S C -2.651 171.828 174.600 -0.202 0.000 1.326 282 S CA -0.888 57.253 58.200 -0.098 0.000 1.183 282 S CB 0.862 64.032 63.200 -0.049 0.000 1.073 282 S HN 0.703 nan 8.310 nan 0.000 0.480 283 P HA 0.090 nan 4.420 nan 0.000 0.271 283 P C -0.451 176.693 177.300 -0.260 0.000 1.216 283 P CA -0.238 62.632 63.100 -0.383 0.000 0.771 283 P CB 0.356 31.653 31.700 -0.671 0.000 0.864 284 H N 2.429 121.370 119.070 -0.215 0.000 3.004 284 H HA 0.366 4.922 4.556 0.000 0.000 0.316 284 H C -0.626 174.575 175.328 -0.212 0.000 1.014 284 H CA 0.319 56.267 56.048 -0.166 0.000 1.454 284 H CB -0.095 29.604 29.762 -0.104 0.000 1.472 284 H HN 0.539 nan 8.280 nan 0.000 0.571 285 A N 4.737 127.128 122.820 -0.715 0.000 2.476 285 A HA 0.531 4.851 4.320 0.000 0.000 0.280 285 A C -0.552 176.713 177.584 -0.532 0.000 1.081 285 A CA -0.130 51.483 52.037 -0.707 0.000 0.753 285 A CB 0.673 19.055 19.000 -1.030 0.000 1.248 285 A HN 0.874 nan 8.150 nan 0.000 0.424 286 T N -0.367 114.066 114.554 -0.203 0.000 2.883 286 T HA 0.709 5.059 4.350 0.000 0.000 0.296 286 T C -2.587 172.371 174.700 0.430 0.000 1.117 286 T CA -1.756 60.408 62.100 0.108 0.000 1.006 286 T CB 1.716 70.596 68.868 0.020 0.000 1.191 286 T HN 0.031 nan 8.240 nan 0.000 0.508 287 P HA -0.051 nan 4.420 nan 0.000 0.218 287 P C 0.815 178.375 177.300 0.434 0.000 1.146 287 P CA 1.153 64.470 63.100 0.361 0.000 0.813 287 P CB 0.119 31.928 31.700 0.182 0.000 0.778 288 E N -0.874 119.504 120.200 0.296 0.000 2.216 288 E HA 0.023 4.373 4.350 0.000 0.000 0.192 288 E C 0.225 176.877 176.600 0.086 0.000 0.973 288 E CA 0.703 57.222 56.400 0.199 0.000 0.851 288 E CB -0.040 29.741 29.700 0.136 0.000 0.804 288 E HN 0.379 nan 8.360 nan 0.000 0.477 289 E N -0.122 120.140 120.200 0.103 0.000 2.255 289 E HA 0.239 4.589 4.350 0.000 0.000 0.256 289 E C -1.151 175.454 176.600 0.007 0.000 0.887 289 E CA -0.423 55.974 56.400 -0.005 0.000 0.782 289 E CB 1.009 30.827 29.700 0.197 0.000 1.214 289 E HN 0.216 nan 8.360 nan 0.000 0.417 290 Y N 0.188 120.561 120.300 0.121 0.000 2.888 290 Y HA 0.194 4.744 4.550 0.000 0.000 0.260 290 Y C 1.385 177.346 175.900 0.101 0.000 1.113 290 Y CA -0.298 57.808 58.100 0.010 0.000 1.237 290 Y CB -0.444 38.050 38.460 0.056 0.000 1.307 290 Y HN 0.385 nan 8.280 nan 0.000 0.580 291 S N -0.186 115.566 115.700 0.088 0.000 2.399 291 S HA -0.305 4.165 4.470 0.000 0.000 0.231 291 S C 1.789 176.527 174.600 0.231 0.000 1.022 291 S CA 1.634 59.993 58.200 0.266 0.000 0.983 291 S CB -0.309 62.941 63.200 0.083 0.000 0.803 291 S HN 0.667 nan 8.310 nan 0.000 0.480 292 Q N 0.591 120.446 119.800 0.091 0.000 2.226 292 Q HA -0.049 4.292 4.340 0.000 0.000 0.204 292 Q C 1.938 177.898 176.000 -0.065 0.000 0.975 292 Q CA 1.342 57.155 55.803 0.017 0.000 0.866 292 Q CB -0.270 28.460 28.738 -0.013 0.000 0.915 292 Q HN 0.568 nan 8.270 nan 0.000 0.440 293 V N 0.217 120.057 119.914 -0.124 0.000 2.358 293 V HA -0.236 3.884 4.120 0.000 0.000 0.246 293 V C 1.762 177.773 176.094 -0.138 0.000 1.047 293 V CA 1.623 63.755 62.300 -0.281 0.000 1.035 293 V CB -0.652 30.948 31.823 -0.373 0.000 0.658 293 V HN 0.343 nan 8.190 nan 0.000 0.452 294 F N 0.374 120.360 119.950 0.060 0.000 2.102 294 F HA -0.078 4.449 4.527 0.000 0.000 0.298 294 F C 1.662 177.494 175.800 0.054 0.000 1.105 294 F CA 0.810 58.859 58.000 0.082 0.000 1.239 294 F CB -0.511 38.549 39.000 0.101 0.000 0.991 294 F HN 0.198 nan 8.300 nan 0.000 0.474 298 L N -0.366 120.961 121.223 0.172 0.000 2.156 298 L HA 0.095 4.435 4.340 0.000 0.000 0.208 298 L C 1.838 178.815 176.870 0.179 0.000 1.095 298 L CA 1.487 56.420 54.840 0.156 0.000 0.770 298 L CB -0.388 41.748 42.059 0.128 0.000 0.914 298 L HN 0.447 nan 8.230 nan 0.000 0.439 299 G N -1.381 107.515 108.800 0.162 0.000 2.756 299 G HA2 0.449 4.410 3.960 0.000 0.000 0.203 299 G HA3 0.449 4.410 3.960 0.000 0.000 0.203 299 G C 0.541 175.607 174.900 0.278 0.000 2.015 299 G CA 0.469 45.663 45.100 0.157 0.000 0.835 299 G HN 0.463 nan 8.290 nan 0.000 0.648 300 G N -0.428 108.491 108.800 0.198 0.000 2.698 300 G HA2 -0.126 3.834 3.960 0.000 0.000 0.233 300 G HA3 -0.126 3.834 3.960 0.000 0.000 0.233 300 G C -0.786 174.206 174.900 0.154 0.000 1.352 300 G CA 0.273 45.485 45.100 0.188 0.000 0.879 300 G HN 0.759 nan 8.290 nan 0.000 0.567 301 D N 1.249 121.702 120.400 0.089 0.000 2.396 301 D HA 0.448 5.088 4.640 0.000 0.000 0.225 301 D C -0.365 175.922 176.300 -0.021 0.000 1.121 301 D CA -1.712 52.315 54.000 0.045 0.000 0.853 301 D CB 1.380 42.197 40.800 0.029 0.000 1.043 301 D HN 0.094 nan 8.370 nan 0.000 0.500 302 P HA -0.151 nan 4.420 nan 0.000 0.223 302 P C 1.097 178.296 177.300 -0.169 0.000 1.144 302 P CA 0.662 63.628 63.100 -0.222 0.000 0.783 302 P CB 0.137 31.634 31.700 -0.338 0.000 0.771 303 S N -0.297 115.347 115.700 -0.093 0.000 2.547 303 S HA -0.033 4.437 4.470 0.000 0.000 0.235 303 S C 1.441 176.027 174.600 -0.023 0.000 0.980 303 S CA 0.926 59.087 58.200 -0.065 0.000 0.941 303 S CB -1.251 61.929 63.200 -0.033 0.000 0.763 303 S HN 0.181 nan 8.310 nan 0.000 0.532 304 V N -2.515 117.383 119.914 -0.027 0.000 3.078 304 V HA 0.585 4.705 4.120 0.000 0.000 0.344 304 V C -0.296 175.797 176.094 -0.002 0.000 1.409 304 V CA -0.872 61.434 62.300 0.009 0.000 1.146 304 V CB -0.303 31.517 31.823 -0.005 0.000 1.126 304 V HN 0.136 nan 8.190 nan 0.000 0.513 305 R N 0.710 121.188 120.500 -0.036 0.000 2.599 305 R HA 0.422 4.762 4.340 0.000 0.000 0.295 305 R C -1.583 174.709 176.300 -0.014 0.000 0.963 305 R CA -0.563 55.511 56.100 -0.042 0.000 0.883 305 R CB 2.139 32.359 30.300 -0.133 0.000 1.171 305 R HN 0.602 nan 8.270 nan 0.000 0.450 306 W N 3.683 124.929 121.300 -0.091 0.000 2.406 306 W HA 0.221 4.881 4.660 0.000 0.000 0.308 306 W C 0.557 177.041 176.519 -0.059 0.000 0.965 306 W CA -0.649 56.654 57.345 -0.069 0.000 1.589 306 W CB 1.379 30.840 29.460 0.000 0.000 1.417 306 W HN 0.900 nan 8.180 nan 0.000 0.415 307 G N 1.999 110.632 108.800 -0.278 0.000 2.485 307 G HA2 -0.326 3.634 3.960 0.000 0.000 0.221 307 G HA3 -0.326 3.634 3.960 0.000 0.000 0.221 307 G C 1.009 175.877 174.900 -0.054 0.000 1.115 307 G CA 1.033 46.032 45.100 -0.167 0.000 0.751 307 G HN 0.378 nan 8.290 nan 0.000 0.567 308 D N -0.079 120.296 120.400 -0.043 0.000 2.277 308 D HA 0.032 4.672 4.640 0.000 0.000 0.208 308 D C 1.243 177.701 176.300 0.263 0.000 0.962 308 D CA 0.510 54.606 54.000 0.160 0.000 0.865 308 D CB 0.083 41.062 40.800 0.297 0.000 0.939 308 D HN 0.155 nan 8.370 nan 0.000 0.510 309 K N 0.787 121.408 120.400 0.367 0.000 2.401 309 K HA 0.020 4.340 4.320 0.000 0.000 0.278 309 K C 1.295 177.980 176.600 0.143 0.000 1.018 309 K CA 0.018 56.475 56.287 0.283 0.000 0.981 309 K CB 0.819 33.500 32.500 0.302 0.000 0.933 309 K HN -0.113 nan 8.250 nan 0.000 0.477 310 S N 3.520 119.274 115.700 0.090 0.000 2.399 310 S HA -0.151 4.319 4.470 0.000 0.000 0.231 310 S C 0.279 174.990 174.600 0.184 0.000 1.022 310 S CA 0.660 58.861 58.200 0.002 0.000 0.983 310 S CB -0.267 62.775 63.200 -0.263 0.000 0.803 310 S HN 0.607 nan 8.310 nan 0.000 0.480 311 Y N 1.653 121.975 120.300 0.037 0.000 2.315 311 Y HA 0.520 5.070 4.550 0.000 0.000 0.324 311 Y C -1.058 174.900 175.900 0.097 0.000 1.062 311 Y CA -1.526 56.597 58.100 0.037 0.000 1.159 311 Y CB 1.073 39.522 38.460 -0.019 0.000 1.145 311 Y HN 0.266 nan 8.280 nan 0.000 0.442 312 N N 7.098 125.662 118.700 -0.227 0.000 2.524 312 N HA 0.358 5.098 4.740 0.000 0.000 0.261 312 N C -1.607 173.695 175.510 -0.348 0.000 0.998 312 N CA -0.464 52.494 53.050 -0.153 0.000 0.915 312 N CB 0.902 39.369 38.487 -0.034 0.000 1.187 312 N HN 0.686 nan 8.380 nan 0.000 0.507 313 L N 5.068 126.095 121.223 -0.327 0.000 2.319 313 L HA 0.369 4.709 4.340 0.000 0.000 0.280 313 L C -0.601 176.167 176.870 -0.170 0.000 1.099 313 L CA -0.422 54.262 54.840 -0.259 0.000 0.828 313 L CB 0.559 42.595 42.059 -0.038 0.000 1.150 313 L HN 0.551 nan 8.230 nan 0.000 0.442 314 I N 3.573 124.035 120.570 -0.180 0.000 2.377 314 I HA 0.227 4.397 4.170 0.000 0.000 0.293 314 I C 0.187 176.079 176.117 -0.375 0.000 0.987 314 I CA -0.257 60.825 61.300 -0.365 0.000 1.185 314 I CB 1.495 39.237 38.000 -0.431 0.000 1.341 314 I HN 0.440 nan 8.210 nan 0.000 0.455 315 S N 6.678 122.027 115.700 -0.585 0.000 2.530 315 S HA 0.660 5.130 4.470 0.000 0.000 0.322 315 S C -0.805 173.400 174.600 -0.658 0.000 1.085 315 S CA -0.390 57.480 58.200 -0.550 0.000 1.096 315 S CB 0.269 63.302 63.200 -0.279 0.000 0.988 315 S HN 0.273 nan 8.310 nan 0.000 0.466 316 F N 2.607 122.311 119.950 -0.409 0.000 2.378 316 F HA 0.535 5.062 4.527 0.000 0.000 0.325 316 F C 1.644 177.290 175.800 -0.257 0.000 1.097 316 F CA -0.534 57.304 58.000 -0.270 0.000 1.079 316 F CB 0.954 39.812 39.000 -0.237 0.000 1.240 316 F HN 0.723 nan 8.300 nan 0.000 0.519 317 A N 1.289 124.143 122.820 0.056 0.000 2.076 317 A HA -0.204 4.116 4.320 0.000 0.000 0.220 317 A C 1.464 179.021 177.584 -0.045 0.000 1.160 317 A CA 1.709 53.741 52.037 -0.010 0.000 0.653 317 A CB -0.946 18.069 19.000 0.026 0.000 0.801 317 A HN 0.743 nan 8.150 nan 0.000 0.455 318 N N -1.244 117.429 118.700 -0.046 0.000 2.295 318 N HA 0.284 5.024 4.740 0.000 0.000 0.221 318 N C 0.824 176.279 175.510 -0.092 0.000 1.129 318 N CA 0.566 53.576 53.050 -0.067 0.000 0.836 318 N CB -0.407 38.037 38.487 -0.072 0.000 1.040 318 N HN 0.647 nan 8.380 nan 0.000 0.494 319 G N -0.001 108.699 108.800 -0.166 0.000 2.143 319 G HA2 -0.226 3.735 3.960 0.000 0.000 0.248 319 G HA3 -0.226 3.735 3.960 0.000 0.000 0.248 319 G C -0.352 174.431 174.900 -0.196 0.000 0.991 319 G CA 0.126 45.101 45.100 -0.208 0.000 0.689 319 G HN 0.334 nan 8.290 nan 0.000 0.522 320 I N -0.105 120.320 120.570 -0.241 0.000 2.498 320 I HA 0.738 4.908 4.170 0.000 0.000 0.301 320 I C 0.277 176.273 176.117 -0.201 0.000 0.984 320 I CA -1.066 60.204 61.300 -0.050 0.000 1.204 320 I CB 1.074 39.010 38.000 -0.106 0.000 1.362 320 I HN -0.019 nan 8.210 nan 0.000 0.471 321 F N 1.794 121.936 119.950 0.320 0.000 2.620 321 F HA 0.805 5.332 4.527 0.000 0.000 0.320 321 F C 0.554 176.467 175.800 0.190 0.000 1.069 321 F CA -0.554 57.592 58.000 0.245 0.000 0.953 321 F CB 2.416 41.585 39.000 0.283 0.000 1.322 321 F HN 0.502 nan 8.300 nan 0.000 0.479 322 G N -0.397 108.581 108.800 0.297 0.000 2.623 322 G HA2 0.535 4.495 3.960 0.000 0.000 0.290 322 G HA3 0.535 4.495 3.960 0.000 0.000 0.290 322 G C -2.350 172.581 174.900 0.050 0.000 1.437 322 G CA -0.771 44.428 45.100 0.164 0.000 0.798 322 G HN 0.784 nan 8.290 nan 0.000 0.488 323 C N -0.206 119.103 119.300 0.015 0.000 2.417 323 C HA 0.738 5.198 4.460 0.000 0.000 0.324 323 C C 0.247 175.196 174.990 -0.069 0.000 1.240 323 C CA -0.706 58.257 59.018 -0.091 0.000 1.632 323 C CB 0.373 28.105 27.740 -0.013 0.000 2.241 323 C HN 0.848 nan 8.230 nan 0.000 0.499 324 C N 3.542 122.758 119.300 -0.141 0.000 2.319 324 C HA 0.828 5.288 4.460 0.000 0.000 0.323 324 C C -0.216 174.645 174.990 -0.214 0.000 1.277 324 C CA -0.168 58.771 59.018 -0.133 0.000 1.517 324 C CB -1.560 26.134 27.740 -0.077 0.000 2.206 324 C HN 1.010 nan 8.230 nan 0.000 0.486 325 C N 4.417 123.459 119.300 -0.430 0.000 2.563 325 C HA 0.499 4.960 4.460 0.000 0.000 0.314 325 C C -0.279 174.408 174.990 -0.505 0.000 1.199 325 C CA -0.444 58.268 59.018 -0.511 0.000 1.564 325 C CB 1.322 28.528 27.740 -0.890 0.000 2.173 325 C HN 0.886 nan 8.230 nan 0.000 0.485 326 D N 0.475 120.773 120.400 -0.170 0.000 2.417 326 D HA 0.029 4.669 4.640 0.000 0.000 0.250 326 D C 1.006 177.301 176.300 -0.009 0.000 1.166 326 D CA 0.498 54.461 54.000 -0.062 0.000 0.881 326 D CB 0.435 41.234 40.800 -0.003 0.000 1.164 326 D HN 0.668 nan 8.370 nan 0.000 0.467 327 H N 3.666 122.699 119.070 -0.061 0.000 2.548 327 H HA 0.168 4.724 4.556 0.000 0.000 0.268 327 H C 1.556 176.608 175.328 -0.460 0.000 0.975 327 H CA 1.082 57.161 56.048 0.051 0.000 1.195 327 H CB 0.165 30.088 29.762 0.269 0.000 1.397 327 H HN 0.512 nan 8.280 nan 0.000 0.572 328 A N 1.822 124.384 122.820 -0.429 0.000 1.858 328 A HA -0.075 4.245 4.320 0.000 0.000 0.216 328 A C -0.030 177.340 177.584 -0.356 0.000 1.190 328 A CA 1.481 53.059 52.037 -0.765 0.000 0.617 328 A CB -1.277 17.567 19.000 -0.261 0.000 0.827 328 A HN 0.437 nan 8.150 nan 0.000 0.443 329 P HA 0.025 nan 4.420 nan 0.000 0.227 329 P C -0.324 176.985 177.300 0.015 0.000 1.161 329 P CA 1.215 64.236 63.100 -0.131 0.000 0.788 329 P CB 0.091 31.618 31.700 -0.290 0.000 0.822 330 Y N -2.584 117.714 120.300 -0.004 0.000 2.750 330 Y HA 0.587 5.137 4.550 0.000 0.000 0.335 330 Y C -0.989 175.006 175.900 0.158 0.000 1.252 330 Y CA -2.873 55.248 58.100 0.035 0.000 1.064 330 Y CB -0.564 37.859 38.460 -0.062 0.000 1.321 330 Y HN -0.324 nan 8.280 nan 0.000 0.451 331 D N 0.658 121.127 120.400 0.115 0.000 2.440 331 D HA 0.629 5.269 4.640 0.000 0.000 0.258 331 D C 0.279 176.213 176.300 -0.610 0.000 1.092 331 D CA -0.173 53.754 54.000 -0.122 0.000 1.016 331 D CB 1.959 42.777 40.800 0.030 0.000 1.141 331 D HN 0.875 nan 8.370 nan 0.000 0.552 337 N N 0.547 119.280 118.700 0.055 0.000 2.142 337 N HA -0.027 4.713 4.740 0.000 0.000 0.186 337 N C 1.744 177.271 175.510 0.029 0.000 1.023 337 N CA 2.059 55.224 53.050 0.192 0.000 0.852 337 N CB 0.395 39.161 38.487 0.466 0.000 0.998 337 N HN 0.598 nan 8.380 nan 0.000 0.424 338 I N 1.127 121.550 120.570 -0.245 0.000 2.353 338 I HA -0.167 4.003 4.170 0.000 0.000 0.248 338 I C 2.185 178.174 176.117 -0.214 0.000 1.119 338 I CA 0.753 61.639 61.300 -0.690 0.000 1.417 338 I CB -0.046 37.464 38.000 -0.817 0.000 1.078 338 I HN -0.015 nan 8.210 nan 0.000 0.421 339 A N -0.084 122.702 122.820 -0.057 0.000 1.933 339 A HA -0.322 3.998 4.320 0.000 0.000 0.218 339 A C 2.137 179.774 177.584 0.089 0.000 1.175 339 A CA 2.128 54.193 52.037 0.047 0.000 0.628 339 A CB -1.033 17.991 19.000 0.040 0.000 0.814 339 A HN 0.700 nan 8.150 nan 0.000 0.444 340 H N -2.110 116.960 119.070 -0.001 0.000 2.357 340 H HA -0.165 4.391 4.556 0.000 0.000 0.301 340 H C 1.812 177.165 175.328 0.042 0.000 1.082 340 H CA 1.989 58.048 56.048 0.017 0.000 1.342 340 H CB -0.535 29.240 29.762 0.021 0.000 1.389 340 H HN 0.548 nan 8.280 nan 0.000 0.511 341 Y N 0.410 120.613 120.300 -0.161 0.000 2.128 341 Y HA -0.229 4.321 4.550 0.000 0.000 0.284 341 Y C 2.372 178.158 175.900 -0.190 0.000 1.154 341 Y CA 2.031 60.028 58.100 -0.172 0.000 1.149 341 Y CB -0.725 37.715 38.460 -0.033 0.000 0.976 341 Y HN 0.103 nan 8.280 nan 0.000 0.505 342 V N 0.714 120.583 119.914 -0.076 0.000 2.332 342 V HA -0.301 3.819 4.120 0.000 0.000 0.248 342 V C 2.118 178.059 176.094 -0.254 0.000 1.055 342 V CA 2.279 64.494 62.300 -0.142 0.000 1.038 342 V CB -0.840 31.058 31.823 0.125 0.000 0.651 342 V HN 0.454 nan 8.190 nan 0.000 0.450 343 D N -0.136 120.237 120.400 -0.045 0.000 2.117 343 D HA -0.178 4.462 4.640 0.000 0.000 0.197 343 D C 2.209 178.363 176.300 -0.243 0.000 0.987 343 D CA 1.150 55.162 54.000 0.020 0.000 0.829 343 D CB -0.049 40.832 40.800 0.135 0.000 0.961 343 D HN 0.348 nan 8.370 nan 0.000 0.460 344 E N -0.068 119.894 120.200 -0.396 0.000 2.150 344 E HA -0.104 4.246 4.350 0.000 0.000 0.193 344 E C 2.252 178.586 176.600 -0.442 0.000 0.985 344 E CA 0.419 56.571 56.400 -0.413 0.000 0.814 344 E CB -0.026 29.392 29.700 -0.469 0.000 0.752 344 E HN 0.299 nan 8.360 nan 0.000 0.466 345 R N 0.439 120.564 120.500 -0.625 0.000 2.075 345 R HA -0.042 4.298 4.340 0.000 0.000 0.232 345 R C 2.454 178.393 176.300 -0.602 0.000 1.126 345 R CA 0.582 56.246 56.100 -0.727 0.000 0.963 345 R CB -0.846 28.727 30.300 -1.213 0.000 0.858 345 R HN 0.085 nan 8.270 nan 0.000 0.435 346 V N 1.723 121.265 119.914 -0.620 0.000 2.343 346 V HA -0.226 3.894 4.120 0.000 0.000 0.247 346 V C 2.530 178.450 176.094 -0.291 0.000 1.051 346 V CA 1.538 63.530 62.300 -0.515 0.000 1.036 346 V CB -0.483 30.831 31.823 -0.849 0.000 0.654 346 V HN 0.202 nan 8.190 nan 0.000 0.451 347 L N -0.072 121.016 121.223 -0.225 0.000 2.017 347 L HA -0.211 4.129 4.340 0.000 0.000 0.208 347 L C 2.671 179.482 176.870 -0.098 0.000 1.073 347 L CA 2.144 56.934 54.840 -0.083 0.000 0.745 347 L CB -0.618 41.301 42.059 -0.234 0.000 0.894 347 L HN 0.454 nan 8.230 nan 0.000 0.432 348 E N 0.064 120.160 120.200 -0.173 0.000 2.110 348 E HA -0.240 4.110 4.350 0.000 0.000 0.193 348 E C 1.705 178.224 176.600 -0.135 0.000 0.988 348 E CA 1.851 58.166 56.400 -0.141 0.000 0.804 348 E CB 0.070 29.675 29.700 -0.158 0.000 0.745 348 E HN 0.540 nan 8.360 nan 0.000 0.458 349 T N -2.528 111.934 114.554 -0.153 0.000 3.086 349 T HA 0.156 4.506 4.350 0.000 0.000 0.250 349 T C 0.169 174.736 174.700 -0.222 0.000 1.074 349 T CA 0.343 62.377 62.100 -0.109 0.000 0.988 349 T CB -0.032 68.860 68.868 0.040 0.000 0.988 349 T HN 0.293 nan 8.240 nan 0.000 0.530 350 E N 0.450 120.369 120.200 -0.468 0.000 2.637 350 E HA -0.201 4.149 4.350 0.000 0.000 0.265 350 E C 0.962 177.156 176.600 -0.676 0.000 1.073 350 E CA 0.299 56.088 56.400 -1.018 0.000 0.778 350 E CB -1.934 27.401 29.700 -0.607 0.000 1.362 350 E HN 0.902 nan 8.360 nan 0.000 0.413 351 G N -0.038 108.549 108.800 -0.356 0.000 2.168 351 G HA2 -0.381 3.579 3.960 0.000 0.000 0.257 351 G HA3 -0.381 3.579 3.960 0.000 0.000 0.257 351 G C 0.178 175.326 174.900 0.413 0.000 0.997 351 G CA 0.987 46.129 45.100 0.070 0.000 0.708 351 G HN 0.316 nan 8.290 nan 0.000 0.520 352 R N -1.455 119.163 120.500 0.197 0.000 2.888 352 R HA 0.538 4.878 4.340 0.000 0.000 0.266 352 R C -0.614 175.838 176.300 0.255 0.000 1.020 352 R CA -0.917 55.316 56.100 0.222 0.000 0.963 352 R CB 1.408 31.767 30.300 0.098 0.000 1.197 352 R HN 0.273 nan 8.270 nan 0.000 0.481 353 W N 3.134 124.450 121.300 0.028 0.000 2.316 353 W HA 0.258 4.918 4.660 0.000 0.000 0.308 353 W C -0.663 175.829 176.519 -0.046 0.000 1.106 353 W CA -0.427 56.892 57.345 -0.043 0.000 1.262 353 W CB 1.000 30.389 29.460 -0.119 0.000 1.233 353 W HN 0.593 nan 8.180 nan 0.000 0.447 354 K N 3.739 123.716 120.400 -0.704 0.000 2.373 354 K HA 0.183 4.503 4.320 0.000 0.000 0.202 354 K C 1.065 177.111 176.600 -0.922 0.000 1.025 354 K CA -0.171 55.735 56.287 -0.635 0.000 1.115 354 K CB 1.137 33.429 32.500 -0.347 0.000 0.858 354 K HN 0.471 nan 8.250 nan 0.000 0.525 355 G N 0.619 108.270 108.800 -1.915 0.000 2.531 355 G HA2 0.061 4.021 3.960 0.000 0.000 0.281 355 G HA3 0.061 4.021 3.960 0.000 0.000 0.281 355 G C -0.551 174.042 174.900 -0.512 0.000 1.382 355 G CA -0.494 43.850 45.100 -1.260 0.000 1.045 355 G HN 0.080 nan 8.290 nan 0.000 0.533 356 S N -1.281 114.401 115.700 -0.029 0.000 2.558 356 S HA 0.023 4.494 4.470 0.000 0.000 0.288 356 S C 0.930 175.715 174.600 0.307 0.000 1.318 356 S CA 0.186 58.457 58.200 0.118 0.000 1.056 356 S CB 0.454 63.722 63.200 0.112 0.000 0.853 356 S HN 0.519 nan 8.310 nan 0.000 0.505 357 E N 1.938 122.238 120.200 0.166 0.000 2.465 357 E HA 0.083 4.433 4.350 0.000 0.000 0.191 357 E C 0.179 176.816 176.600 0.061 0.000 1.053 357 E CA -0.151 56.337 56.400 0.148 0.000 0.869 357 E CB 0.253 30.006 29.700 0.089 0.000 0.977 357 E HN 0.526 nan 8.360 nan 0.000 0.483 358 K N 1.480 121.913 120.400 0.055 0.000 2.382 358 K HA 0.115 4.435 4.320 0.000 0.000 0.275 358 K C -0.726 175.861 176.600 -0.021 0.000 1.009 358 K CA 0.046 56.343 56.287 0.016 0.000 0.970 358 K CB 0.759 33.274 32.500 0.025 0.000 0.934 358 K HN -0.163 nan 8.250 nan 0.000 0.479 359 V N 5.992 125.879 119.914 -0.045 0.000 2.325 359 V HA 0.272 4.392 4.120 0.000 0.000 0.280 359 V C -0.037 176.003 176.094 -0.091 0.000 1.016 359 V CA -0.787 61.461 62.300 -0.087 0.000 0.818 359 V CB 1.017 32.781 31.823 -0.098 0.000 1.019 359 V HN 0.823 nan 8.190 nan 0.000 0.434 360 R N 1.858 122.293 120.500 -0.107 0.000 2.738 360 R HA 0.142 4.482 4.340 0.000 0.000 0.268 360 R C 0.096 176.274 176.300 -0.203 0.000 1.062 360 R CA -0.436 55.592 56.100 -0.119 0.000 1.158 360 R CB 0.570 30.809 30.300 -0.103 0.000 1.046 360 R HN 0.639 nan 8.270 nan 0.000 0.493 361 D N 2.894 123.201 120.400 -0.154 0.000 2.545 361 D HA 0.062 4.702 4.640 0.000 0.000 0.227 361 D C -0.075 176.074 176.300 -0.252 0.000 1.150 361 D CA -0.100 53.808 54.000 -0.153 0.000 1.046 361 D CB -0.283 40.479 40.800 -0.062 0.000 1.098 361 D HN 0.322 nan 8.370 nan 0.000 0.502 362 I N -0.590 119.764 120.570 -0.360 0.000 2.677 362 I HA 0.603 4.773 4.170 0.000 0.000 0.305 362 I C -2.090 173.903 176.117 -0.207 0.000 0.988 362 I CA -2.366 58.703 61.300 -0.385 0.000 1.260 362 I CB 0.716 38.462 38.000 -0.424 0.000 1.410 362 I HN -0.013 nan 8.210 nan 0.000 0.523 363 P HA 0.179 nan 4.420 nan 0.000 0.267 363 P C -0.612 176.579 177.300 -0.181 0.000 1.200 363 P CA -0.084 62.956 63.100 -0.100 0.000 0.772 363 P CB 0.479 32.165 31.700 -0.024 0.000 0.855 364 L N 4.689 125.775 121.223 -0.228 0.000 2.439 364 L HA 0.228 4.568 4.340 0.000 0.000 0.269 364 L C -1.839 174.878 176.870 -0.254 0.000 1.179 364 L CA -1.854 52.743 54.840 -0.406 0.000 0.828 364 L CB -0.130 41.604 42.059 -0.542 0.000 1.106 364 L HN 0.253 nan 8.230 nan 0.000 0.467 365 P HA 0.034 nan 4.420 nan 0.000 0.266 365 P C -1.106 176.343 177.300 0.247 0.000 1.195 365 P CA 0.072 63.243 63.100 0.118 0.000 0.768 365 P CB 0.440 32.270 31.700 0.216 0.000 0.838 366 E N 1.216 121.577 120.200 0.268 0.000 2.175 366 E HA 0.179 4.529 4.350 0.000 0.000 0.278 366 E C -0.241 176.477 176.600 0.196 0.000 0.969 366 E CA -0.674 55.843 56.400 0.194 0.000 0.796 366 E CB 1.178 30.916 29.700 0.062 0.000 1.104 366 E HN 0.430 nan 8.360 nan 0.000 0.395 367 E N 3.596 123.837 120.200 0.068 0.000 2.301 367 E HA 0.155 4.505 4.350 0.000 0.000 0.275 367 E C -0.830 175.579 176.600 -0.320 0.000 1.030 367 E CA -0.506 55.649 56.400 -0.409 0.000 0.852 367 E CB 0.691 30.057 29.700 -0.556 0.000 1.060 367 E HN 0.420 nan 8.360 nan 0.000 0.401 368 L N 4.971 125.954 121.223 -0.401 0.000 2.282 368 L HA 0.244 4.584 4.340 0.000 0.000 0.287 368 L C -0.720 175.914 176.870 -0.394 0.000 1.075 368 L CA -0.798 53.804 54.840 -0.396 0.000 0.839 368 L CB 0.947 42.755 42.059 -0.419 0.000 1.219 368 L HN 0.371 nan 8.230 nan 0.000 0.434 369 V N 4.136 123.861 119.914 -0.315 0.000 2.322 369 V HA 0.197 4.317 4.120 0.000 0.000 0.258 369 V C 0.286 176.281 176.094 -0.165 0.000 1.074 369 V CA -0.322 61.873 62.300 -0.176 0.000 0.909 369 V CB -0.136 31.622 31.823 -0.107 0.000 1.090 369 V HN 0.358 nan 8.190 nan 0.000 0.486 370 F N 2.156 122.089 119.950 -0.028 0.000 2.459 370 F HA 0.222 4.749 4.527 0.000 0.000 0.346 370 F C 1.346 177.152 175.800 0.009 0.000 1.128 370 F CA 0.343 58.346 58.000 0.006 0.000 1.268 370 F CB 0.665 39.690 39.000 0.041 0.000 1.161 370 F HN 0.278 nan 8.300 nan 0.000 0.583 371 T N 3.690 118.367 114.554 0.205 0.000 2.743 371 T HA 0.523 4.873 4.350 0.000 0.000 0.293 371 T C -0.346 174.440 174.700 0.143 0.000 0.945 371 T CA -0.538 61.635 62.100 0.122 0.000 1.030 371 T CB 0.516 69.425 68.868 0.069 0.000 0.912 371 T HN 0.488 nan 8.240 nan 0.000 0.483 372 V N 1.087 121.071 119.914 0.115 0.000 3.141 372 V HA 0.966 5.086 4.120 0.000 0.000 0.312 372 V C -1.124 175.028 176.094 0.096 0.000 1.157 372 V CA -1.189 61.178 62.300 0.112 0.000 1.041 372 V CB 2.483 34.366 31.823 0.100 0.000 1.071 372 V HN 0.811 nan 8.190 nan 0.000 0.441 373 D N -0.881 119.590 120.400 0.118 0.000 2.732 373 D HA 0.299 4.939 4.640 0.000 0.000 0.292 373 D C 0.712 177.069 176.300 0.095 0.000 1.135 373 D CA -0.077 53.988 54.000 0.109 0.000 1.071 373 D CB 1.564 42.449 40.800 0.142 0.000 1.457 373 D HN 0.691 nan 8.370 nan 0.000 0.547 374 E N 0.020 120.264 120.200 0.074 0.000 2.085 374 E HA -0.274 4.076 4.350 0.000 0.000 0.194 374 E C 1.679 178.295 176.600 0.026 0.000 0.994 374 E CA 1.438 57.863 56.400 0.043 0.000 0.801 374 E CB 0.089 29.809 29.700 0.033 0.000 0.743 374 E HN 0.446 nan 8.360 nan 0.000 0.453 375 K N 0.202 120.620 120.400 0.031 0.000 2.026 375 K HA -0.161 4.159 4.320 0.000 0.000 0.208 375 K C 2.169 178.734 176.600 -0.057 0.000 1.048 375 K CA 1.400 57.648 56.287 -0.064 0.000 0.929 375 K CB -0.085 32.287 32.500 -0.214 0.000 0.713 375 K HN 0.145 nan 8.250 nan 0.000 0.439 376 I N 1.755 122.357 120.570 0.053 0.000 2.226 376 I HA -0.262 3.908 4.170 0.000 0.000 0.245 376 I C 2.236 178.363 176.117 0.018 0.000 1.100 376 I CA 1.312 62.654 61.300 0.071 0.000 1.374 376 I CB -0.857 37.240 38.000 0.162 0.000 1.057 376 I HN 0.296 nan 8.210 nan 0.000 0.413 377 L N 0.310 121.545 121.223 0.021 0.000 2.131 377 L HA -0.223 4.117 4.340 0.000 0.000 0.210 377 L C 2.213 179.073 176.870 -0.017 0.000 1.092 377 L CA 1.062 55.903 54.840 0.001 0.000 0.759 377 L CB -0.650 41.415 42.059 0.011 0.000 0.903 377 L HN 0.297 nan 8.230 nan 0.000 0.435 378 N N -0.093 118.593 118.700 -0.023 0.000 2.188 378 N HA -0.158 4.582 4.740 0.000 0.000 0.184 378 N C 1.430 176.914 175.510 -0.044 0.000 1.018 378 N CA 1.194 54.224 53.050 -0.034 0.000 0.858 378 N CB -0.272 38.191 38.487 -0.040 0.000 0.989 378 N HN 0.304 nan 8.380 nan 0.000 0.426 379 D N 0.569 120.939 120.400 -0.051 0.000 2.117 379 D HA -0.077 4.563 4.640 0.000 0.000 0.197 379 D C 2.067 178.331 176.300 -0.061 0.000 0.987 379 D CA 0.535 54.504 54.000 -0.052 0.000 0.829 379 D CB -0.220 40.555 40.800 -0.043 0.000 0.961 379 D HN 0.004 nan 8.370 nan 0.000 0.460 380 V N 1.117 120.993 119.914 -0.063 0.000 2.295 380 V HA -0.235 3.885 4.120 0.000 0.000 0.246 380 V C 2.517 178.568 176.094 -0.073 0.000 1.049 380 V CA 1.761 64.009 62.300 -0.088 0.000 1.024 380 V CB -0.535 31.241 31.823 -0.078 0.000 0.648 380 V HN 0.149 nan 8.190 nan 0.000 0.447 381 S N -0.773 114.897 115.700 -0.049 0.000 2.370 381 S HA -0.328 4.142 4.470 0.000 0.000 0.226 381 S C 1.971 176.548 174.600 -0.038 0.000 1.033 381 S CA 1.977 60.155 58.200 -0.038 0.000 1.011 381 S CB -0.374 62.810 63.200 -0.028 0.000 0.852 381 S HN 0.683 nan 8.310 nan 0.000 0.457 382 Q N 0.833 120.608 119.800 -0.041 0.000 2.079 382 Q HA -0.080 4.261 4.340 0.000 0.000 0.200 382 Q C 2.298 178.273 176.000 -0.041 0.000 0.974 382 Q CA 1.263 57.044 55.803 -0.037 0.000 0.840 382 Q CB -0.345 28.370 28.738 -0.038 0.000 0.898 382 Q HN 0.561 nan 8.270 nan 0.000 0.430 383 A N 1.214 123.997 122.820 -0.063 0.000 1.883 383 A HA -0.244 4.076 4.320 0.000 0.000 0.217 383 A C 2.023 179.571 177.584 -0.060 0.000 1.186 383 A CA 1.819 53.805 52.037 -0.086 0.000 0.624 383 A CB -0.571 18.333 19.000 -0.159 0.000 0.822 383 A HN 0.363 nan 8.150 nan 0.000 0.444 384 K N -0.516 119.849 120.400 -0.059 0.000 2.057 384 K HA -0.060 4.260 4.320 0.000 0.000 0.207 384 K C 2.189 178.802 176.600 0.022 0.000 1.049 384 K CA 1.143 57.416 56.287 -0.023 0.000 0.931 384 K CB -0.318 32.161 32.500 -0.035 0.000 0.714 384 K HN 0.377 nan 8.250 nan 0.000 0.440 385 A N 1.407 124.227 122.820 0.001 0.000 1.877 385 A HA -0.258 4.062 4.320 0.000 0.000 0.216 385 A C 2.059 179.647 177.584 0.006 0.000 1.186 385 A CA 1.933 53.972 52.037 0.002 0.000 0.620 385 A CB -0.717 18.277 19.000 -0.011 0.000 0.822 385 A HN 0.599 nan 8.150 nan 0.000 0.443 386 Q N -0.865 118.937 119.800 0.005 0.000 2.119 386 Q HA -0.194 4.146 4.340 0.000 0.000 0.201 386 Q C 1.782 177.793 176.000 0.019 0.000 0.972 386 Q CA 2.243 58.046 55.803 0.000 0.000 0.847 386 Q CB -0.878 27.855 28.738 -0.008 0.000 0.903 386 Q HN 0.797 nan 8.270 nan 0.000 0.433 387 H N 0.372 119.419 119.070 -0.038 0.000 2.326 387 H HA 0.045 4.601 4.556 0.000 0.000 0.301 387 H C 1.654 176.983 175.328 0.003 0.000 1.081 387 H CA 1.866 57.900 56.048 -0.023 0.000 1.334 387 H CB -0.092 29.641 29.762 -0.048 0.000 1.385 387 H HN 0.257 nan 8.280 nan 0.000 0.504 388 L N 0.187 121.411 121.223 0.002 0.000 2.046 388 L HA -0.161 4.179 4.340 0.000 0.000 0.208 388 L C 2.666 179.504 176.870 -0.054 0.000 1.077 388 L CA 1.736 56.557 54.840 -0.032 0.000 0.747 388 L CB -0.439 41.637 42.059 0.028 0.000 0.896 388 L HN 0.298 nan 8.230 nan 0.000 0.432 389 K N 0.566 120.944 120.400 -0.038 0.000 2.002 389 K HA -0.195 4.125 4.320 0.000 0.000 0.209 389 K C 2.192 178.768 176.600 -0.040 0.000 1.048 389 K CA 1.479 57.746 56.287 -0.032 0.000 0.930 389 K CB -0.150 32.331 32.500 -0.032 0.000 0.714 389 K HN 0.228 nan 8.250 nan 0.000 0.438 390 A N 1.038 123.818 122.820 -0.066 0.000 1.908 390 A HA -0.125 4.195 4.320 0.000 0.000 0.218 390 A C 2.350 179.950 177.584 0.027 0.000 1.181 390 A CA 2.034 54.037 52.037 -0.058 0.000 0.627 390 A CB -0.928 18.026 19.000 -0.078 0.000 0.818 390 A HN 0.527 nan 8.150 nan 0.000 0.445 391 A N 0.269 123.040 122.820 -0.083 0.000 1.969 391 A HA -0.058 4.262 4.320 0.000 0.000 0.218 391 A C 2.426 180.038 177.584 0.047 0.000 1.169 391 A CA 2.121 54.133 52.037 -0.042 0.000 0.635 391 A CB -0.932 17.923 19.000 -0.242 0.000 0.810 391 A HN 1.053 nan 8.150 nan 0.000 0.445 392 S N -0.300 115.416 115.700 0.026 0.000 2.469 392 S HA -0.169 4.301 4.470 0.000 0.000 0.238 392 S C 1.347 176.002 174.600 0.091 0.000 0.998 392 S CA 1.483 59.709 58.200 0.045 0.000 0.957 392 S CB -0.398 62.816 63.200 0.023 0.000 0.764 392 S HN 0.517 nan 8.310 nan 0.000 0.514 393 D N 0.335 120.827 120.400 0.153 0.000 2.355 393 D HA 0.135 4.775 4.640 0.000 0.000 0.218 393 D C 0.234 176.752 176.300 0.364 0.000 1.004 393 D CA -0.085 54.059 54.000 0.240 0.000 0.880 393 D CB -0.177 40.760 40.800 0.228 0.000 0.911 393 D HN 0.388 nan 8.370 nan 0.000 0.528 394 L N 1.241 122.620 121.223 0.261 0.000 2.349 394 L HA 0.333 4.673 4.340 0.000 0.000 0.275 394 L C -0.540 176.335 176.870 0.008 0.000 1.115 394 L CA 0.059 54.931 54.840 0.053 0.000 0.820 394 L CB 1.272 43.306 42.059 -0.041 0.000 1.135 394 L HN -0.078 nan 8.230 nan 0.000 0.445 395 Q N 5.017 124.786 119.800 -0.052 0.000 2.340 395 Q HA 0.526 4.866 4.340 0.000 0.000 0.268 395 Q C -1.696 174.278 176.000 -0.043 0.000 1.031 395 Q CA -0.748 55.042 55.803 -0.021 0.000 0.804 395 Q CB 1.562 30.300 28.738 0.001 0.000 1.286 395 Q HN 0.608 nan 8.270 nan 0.000 0.448 396 I N 2.481 123.042 120.570 -0.015 0.000 2.509 396 I HA 0.635 4.805 4.170 0.000 0.000 0.293 396 I C -0.771 175.334 176.117 -0.020 0.000 1.020 396 I CA -0.653 60.632 61.300 -0.024 0.000 1.088 396 I CB 1.550 39.565 38.000 0.025 0.000 1.267 396 I HN 0.739 nan 8.210 nan 0.000 0.430 397 A N 5.076 127.863 122.820 -0.055 0.000 2.335 397 A HA 0.908 5.228 4.320 0.000 0.000 0.304 397 A C -0.694 176.831 177.584 -0.098 0.000 1.118 397 A CA -0.496 51.501 52.037 -0.067 0.000 0.757 397 A CB 1.475 20.432 19.000 -0.072 0.000 1.188 397 A HN 0.844 nan 8.150 nan 0.000 0.460 398 A N 1.986 124.759 122.820 -0.078 0.000 2.398 398 A HA 0.889 5.209 4.320 0.000 0.000 0.301 398 A C -0.262 177.277 177.584 -0.076 0.000 1.041 398 A CA -0.326 51.693 52.037 -0.030 0.000 0.711 398 A CB 1.349 20.456 19.000 0.179 0.000 1.240 398 A HN 1.174 nan 8.150 nan 0.000 0.420 399 S N -0.196 115.566 115.700 0.103 0.000 2.671 399 S HA 0.801 5.271 4.470 0.000 0.000 0.277 399 S C -0.766 174.111 174.600 0.463 0.000 1.165 399 S CA -0.618 57.715 58.200 0.221 0.000 0.822 399 S CB 1.993 65.324 63.200 0.219 0.000 1.150 399 S HN 0.753 nan 8.310 nan 0.000 0.479 400 T N 1.973 116.796 114.554 0.449 0.000 2.812 400 T HA 0.495 4.845 4.350 0.000 0.000 0.282 400 T C -1.409 173.402 174.700 0.185 0.000 0.990 400 T CA -0.287 62.014 62.100 0.335 0.000 0.960 400 T CB 0.609 69.617 68.868 0.233 0.000 0.948 400 T HN 0.434 nan 8.240 nan 0.000 0.438 401 F N 4.247 124.083 119.950 -0.189 0.000 2.377 401 F HA 0.303 4.830 4.527 0.000 0.000 0.360 401 F C 1.623 177.167 175.800 -0.427 0.000 1.147 401 F CA -0.950 56.695 58.000 -0.591 0.000 1.170 401 F CB 0.546 39.094 39.000 -0.754 0.000 1.339 401 F HN 0.651 nan 8.300 nan 0.000 0.552 402 T N -0.576 113.582 114.554 -0.660 0.000 3.148 402 T HA -0.037 4.313 4.350 0.000 0.000 0.253 402 T C 1.879 176.169 174.700 -0.683 0.000 1.134 402 T CA 0.899 62.685 62.100 -0.523 0.000 1.051 402 T CB -0.188 68.508 68.868 -0.286 0.000 0.959 402 T HN 0.453 nan 8.240 nan 0.000 0.525 403 S N 1.375 116.330 115.700 -1.242 0.000 2.399 403 S HA 0.233 4.703 4.470 0.000 0.000 0.231 403 S C 0.253 174.569 174.600 -0.474 0.000 1.022 403 S CA 0.677 58.337 58.200 -0.899 0.000 0.983 403 S CB -0.532 61.985 63.200 -1.138 0.000 0.803 403 S HN 0.888 nan 8.310 nan 0.000 0.480 404 F N -3.345 116.335 119.950 -0.449 0.000 2.878 404 F HA 0.657 5.185 4.527 0.000 0.000 0.322 404 F C -0.203 175.208 175.800 -0.648 0.000 1.154 404 F CA -1.114 56.658 58.000 -0.381 0.000 0.896 404 F CB 0.311 39.155 39.000 -0.261 0.000 1.313 404 F HN -0.079 nan 8.300 nan 0.000 0.451 405 G N 0.262 108.884 108.800 -0.296 0.000 3.212 405 G HA2 0.470 4.430 3.960 0.000 0.000 0.188 405 G HA3 0.470 4.430 3.960 0.000 0.000 0.188 405 G C -0.047 174.682 174.900 -0.286 0.000 1.254 405 G CA -0.359 44.392 45.100 -0.581 0.000 0.957 405 G HN 1.030 nan 8.290 nan 0.000 0.596 406 K N -0.073 120.330 120.400 0.004 0.000 2.025 406 K HA 0.057 4.377 4.320 0.000 0.000 0.207 406 K C 1.421 178.024 176.600 0.005 0.000 1.049 406 K CA 1.130 57.500 56.287 0.139 0.000 0.933 406 K CB -0.167 32.483 32.500 0.250 0.000 0.714 406 K HN 0.230 nan 8.250 nan 0.000 0.438 407 K N 0.728 121.118 120.400 -0.018 0.000 2.699 407 K HA 0.007 4.328 4.320 0.000 0.000 0.205 407 K C 1.092 177.646 176.600 -0.076 0.000 1.008 407 K CA 0.308 56.567 56.287 -0.046 0.000 1.100 407 K CB -0.079 32.399 32.500 -0.037 0.000 0.878 407 K HN 0.291 nan 8.250 nan 0.000 0.496 408 L N -1.585 119.573 121.223 -0.110 0.000 2.753 408 L HA -0.040 4.300 4.340 0.000 0.000 0.238 408 L C 1.970 178.693 176.870 -0.245 0.000 1.028 408 L CA 0.288 55.029 54.840 -0.164 0.000 0.966 408 L CB 0.305 42.264 42.059 -0.166 0.000 1.681 408 L HN 0.128 nan 8.230 nan 0.000 0.511 409 T N -3.047 111.337 114.554 -0.283 0.000 2.995 409 T HA -0.078 4.272 4.350 0.000 0.000 0.269 409 T C 1.566 176.144 174.700 -0.202 0.000 1.091 409 T CA 0.903 62.791 62.100 -0.353 0.000 1.128 409 T CB -0.288 68.310 68.868 -0.450 0.000 0.891 409 T HN 0.231 nan 8.240 nan 0.000 0.492 410 K N 1.012 121.331 120.400 -0.135 0.000 2.366 410 K HA 0.049 4.369 4.320 0.000 0.000 0.198 410 K C 2.136 178.675 176.600 -0.102 0.000 1.044 410 K CA 0.750 56.980 56.287 -0.096 0.000 0.973 410 K CB -0.004 32.450 32.500 -0.076 0.000 0.767 410 K HN 0.568 nan 8.250 nan 0.000 0.475 411 E N 0.962 121.089 120.200 -0.121 0.000 2.265 411 E HA -0.145 4.205 4.350 0.000 0.000 0.196 411 E C 0.897 177.430 176.600 -0.112 0.000 0.996 411 E CA 0.741 57.076 56.400 -0.108 0.000 0.832 411 E CB 0.167 29.797 29.700 -0.116 0.000 0.756 411 E HN 0.221 nan 8.360 nan 0.000 0.491 412 E N -0.608 119.508 120.200 -0.141 0.000 2.465 412 E HA 0.208 4.558 4.350 0.000 0.000 0.195 412 E C 0.372 176.880 176.600 -0.154 0.000 1.028 412 E CA 0.172 56.482 56.400 -0.150 0.000 0.899 412 E CB 0.976 30.566 29.700 -0.184 0.000 1.032 412 E HN 0.215 nan 8.360 nan 0.000 0.468 413 A N 0.820 123.569 122.820 -0.118 0.000 2.872 413 A HA -0.214 4.106 4.320 0.000 0.000 0.273 413 A C 0.104 177.629 177.584 -0.098 0.000 1.442 413 A CA 0.667 52.652 52.037 -0.087 0.000 0.801 413 A CB -2.351 16.603 19.000 -0.077 0.000 1.031 413 A HN 0.273 nan 8.150 nan 0.000 0.582 414 L N 0.131 121.280 121.223 -0.122 0.000 2.298 414 L HA 0.409 4.749 4.340 0.000 0.000 0.284 414 L C 0.504 177.483 176.870 0.181 0.000 1.013 414 L CA -0.881 53.903 54.840 -0.094 0.000 0.824 414 L CB 1.293 43.123 42.059 -0.381 0.000 1.221 414 L HN 0.487 nan 8.230 nan 0.000 0.418 415 H N 5.887 125.118 119.070 0.268 0.000 3.070 415 H HA 0.009 4.565 4.556 0.000 0.000 0.313 415 H C -1.399 174.123 175.328 0.323 0.000 0.997 415 H CA -0.622 55.586 56.048 0.268 0.000 1.438 415 H CB 1.141 31.060 29.762 0.261 0.000 1.455 415 H HN 0.352 nan 8.280 nan 0.000 0.575 416 P HA -0.199 nan 4.420 nan 0.000 0.216 416 P C 0.938 178.401 177.300 0.272 0.000 1.150 416 P CA 1.596 64.859 63.100 0.271 0.000 0.837 416 P CB 0.381 32.255 31.700 0.291 0.000 0.786 417 D N -0.415 120.311 120.400 0.543 0.000 2.097 417 D HA -0.120 4.520 4.640 0.000 0.000 0.197 417 D C 1.823 178.188 176.300 0.109 0.000 0.984 417 D CA 1.699 55.915 54.000 0.360 0.000 0.826 417 D CB -0.490 40.572 40.800 0.436 0.000 0.973 417 D HN 0.007 nan 8.370 nan 0.000 0.460 418 T N -0.505 114.120 114.554 0.118 0.000 2.746 418 T HA -0.125 4.225 4.350 0.000 0.000 0.267 418 T C 1.571 175.992 174.700 -0.465 0.000 1.039 418 T CA 0.915 62.837 62.100 -0.298 0.000 1.142 418 T CB -0.582 68.184 68.868 -0.169 0.000 0.866 418 T HN 0.222 nan 8.240 nan 0.000 0.444 419 F N 1.742 121.563 119.950 -0.216 0.000 2.095 419 F HA -0.108 4.419 4.527 0.000 0.000 0.298 419 F C 1.960 177.664 175.800 -0.161 0.000 1.104 419 F CA 1.222 59.176 58.000 -0.077 0.000 1.232 419 F CB -0.384 38.742 39.000 0.210 0.000 0.987 419 F HN 0.088 nan 8.300 nan 0.000 0.475 420 I N -0.159 120.358 120.570 -0.089 0.000 2.252 420 I HA -0.275 3.895 4.170 0.000 0.000 0.245 420 I C 2.379 178.292 176.117 -0.340 0.000 1.102 420 I CA 0.908 62.072 61.300 -0.226 0.000 1.385 420 I CB -0.603 37.019 38.000 -0.630 0.000 1.064 420 I HN 0.234 nan 8.210 nan 0.000 0.414 421 Q N 0.553 120.121 119.800 -0.386 0.000 2.084 421 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 421 Q C 2.405 178.184 176.000 -0.368 0.000 0.978 421 Q CA 1.457 57.034 55.803 -0.378 0.000 0.844 421 Q CB -0.242 28.192 28.738 -0.506 0.000 0.898 421 Q HN 0.549 nan 8.270 nan 0.000 0.426 422 L N -0.154 120.796 121.223 -0.457 0.000 2.109 422 L HA -0.106 4.234 4.340 0.000 0.000 0.207 422 L C 2.417 179.240 176.870 -0.078 0.000 1.086 422 L CA 0.903 55.556 54.840 -0.313 0.000 0.760 422 L CB -0.571 41.095 42.059 -0.654 0.000 0.910 422 L HN 0.098 nan 8.230 nan 0.000 0.437 423 A N -0.028 122.659 122.820 -0.222 0.000 1.972 423 A HA -0.216 4.104 4.320 0.000 0.000 0.219 423 A C 2.187 179.607 177.584 -0.274 0.000 1.169 423 A CA 1.521 53.446 52.037 -0.188 0.000 0.635 423 A CB -0.553 18.310 19.000 -0.229 0.000 0.810 423 A HN 0.329 nan 8.150 nan 0.000 0.446 424 L N -0.764 120.249 121.223 -0.350 0.000 2.056 424 L HA -0.129 4.211 4.340 0.000 0.000 0.207 424 L C 2.345 179.081 176.870 -0.224 0.000 1.078 424 L CA 1.928 56.500 54.840 -0.447 0.000 0.749 424 L CB -0.629 41.067 42.059 -0.605 0.000 0.901 424 L HN 0.317 nan 8.230 nan 0.000 0.433 425 Q N -0.582 119.141 119.800 -0.128 0.000 2.061 425 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 425 Q C 2.281 178.294 176.000 0.021 0.000 0.984 425 Q CA 1.923 57.716 55.803 -0.017 0.000 0.846 425 Q CB -0.739 28.007 28.738 0.012 0.000 0.902 425 Q HN 0.482 nan 8.270 nan 0.000 0.421 426 L N 0.562 121.759 121.223 -0.044 0.000 2.056 426 L HA -0.072 4.268 4.340 0.000 0.000 0.207 426 L C 2.129 178.963 176.870 -0.061 0.000 1.078 426 L CA 2.090 56.852 54.840 -0.130 0.000 0.749 426 L CB -0.922 40.981 42.059 -0.260 0.000 0.901 426 L HN 0.129 nan 8.230 nan 0.000 0.433 427 A N -1.382 121.367 122.820 -0.119 0.000 1.883 427 A HA -0.304 4.016 4.320 0.000 0.000 0.217 427 A C 2.322 179.849 177.584 -0.096 0.000 1.186 427 A CA 1.980 53.923 52.037 -0.156 0.000 0.624 427 A CB -1.232 17.597 19.000 -0.285 0.000 0.822 427 A HN 0.617 nan 8.150 nan 0.000 0.444 428 Y N -1.587 118.636 120.300 -0.129 0.000 2.200 428 Y HA -0.223 4.327 4.550 0.000 0.000 0.290 428 Y C 2.228 178.165 175.900 0.061 0.000 1.137 428 Y CA 1.881 59.976 58.100 -0.009 0.000 1.163 428 Y CB -0.584 37.895 38.460 0.033 0.000 0.988 428 Y HN 0.436 nan 8.280 nan 0.000 0.518 429 Y N 0.722 121.108 120.300 0.143 0.000 2.165 429 Y HA -0.277 4.273 4.550 0.000 0.000 0.286 429 Y C 2.514 178.372 175.900 -0.070 0.000 1.155 429 Y CA 2.095 60.231 58.100 0.062 0.000 1.164 429 Y CB -0.236 38.215 38.460 -0.016 0.000 0.978 429 Y HN 0.008 nan 8.280 nan 0.000 0.513 430 R N -0.759 119.730 120.500 -0.020 0.000 2.066 430 R HA -0.137 4.203 4.340 0.000 0.000 0.232 430 R C 2.114 178.270 176.300 -0.241 0.000 1.131 430 R CA 1.428 57.451 56.100 -0.130 0.000 0.955 430 R CB -0.580 29.672 30.300 -0.080 0.000 0.851 430 R HN 0.330 nan 8.270 nan 0.000 0.432 431 L N 0.130 121.161 121.223 -0.320 0.000 2.056 431 L HA -0.134 4.206 4.340 0.000 0.000 0.207 431 L C 1.476 177.921 176.870 -0.709 0.000 1.078 431 L CA 1.904 56.432 54.840 -0.520 0.000 0.749 431 L CB -0.203 41.463 42.059 -0.655 0.000 0.901 431 L HN 0.245 nan 8.230 nan 0.000 0.433 432 H N -1.183 117.643 119.070 -0.407 0.000 2.652 432 H HA 0.367 4.923 4.556 0.000 0.000 0.274 432 H C 1.337 176.505 175.328 -0.267 0.000 1.021 432 H CA 0.480 56.303 56.048 -0.374 0.000 1.187 432 H CB 0.199 29.584 29.762 -0.630 0.000 1.505 432 H HN 0.373 nan 8.280 nan 0.000 0.530 433 G N 2.332 110.974 108.800 -0.263 0.000 2.225 433 G HA2 -0.316 3.644 3.960 0.000 0.000 0.267 433 G HA3 -0.316 3.644 3.960 0.000 0.000 0.267 433 G C 0.302 175.017 174.900 -0.310 0.000 1.024 433 G CA 0.743 45.644 45.100 -0.332 0.000 0.784 433 G HN 0.651 nan 8.290 nan 0.000 0.507 434 R N -2.166 118.216 120.500 -0.198 0.000 2.709 434 R HA 0.568 4.909 4.340 0.000 0.000 0.270 434 R C -3.528 172.988 176.300 0.360 0.000 1.038 434 R CA -1.877 54.250 56.100 0.044 0.000 0.872 434 R CB 0.497 30.882 30.300 0.143 0.000 1.259 434 R HN -0.004 nan 8.270 nan 0.000 0.473 435 P HA 0.154 nan 4.420 nan 0.000 0.271 435 P C -0.429 177.074 177.300 0.338 0.000 1.216 435 P CA 0.044 63.370 63.100 0.377 0.000 0.771 435 P CB 0.964 32.736 31.700 0.120 0.000 0.864 436 G N 2.681 111.514 108.800 0.055 0.000 2.356 436 G HA2 0.374 4.334 3.960 0.000 0.000 0.312 436 G HA3 0.374 4.334 3.960 0.000 0.000 0.312 436 G C 0.070 174.940 174.900 -0.051 0.000 1.096 436 G CA -0.459 44.357 45.100 -0.473 0.000 0.950 436 G HN 0.757 nan 8.290 nan 0.000 0.428 437 C N 1.515 120.883 119.300 0.112 0.000 2.590 437 C HA 0.482 4.942 4.460 0.000 0.000 0.411 437 C C 0.990 176.147 174.990 0.278 0.000 1.420 437 C CA -1.747 57.397 59.018 0.209 0.000 1.643 437 C CB -1.194 26.381 27.740 -0.275 0.000 2.528 437 C HN 0.721 nan 8.230 nan 0.000 0.606 438 C N 5.823 125.322 119.300 0.332 0.000 2.455 438 C HA 0.709 5.169 4.460 0.000 0.000 0.320 438 C C -0.719 174.225 174.990 -0.076 0.000 1.226 438 C CA -0.533 58.588 59.018 0.173 0.000 1.569 438 C CB 0.825 28.596 27.740 0.051 0.000 2.200 438 C HN 0.977 nan 8.230 nan 0.000 0.491 439 Y N 4.181 124.198 120.300 -0.472 0.000 2.331 439 Y HA 0.579 5.129 4.550 0.000 0.000 0.338 439 Y C -0.136 175.593 175.900 -0.286 0.000 0.976 439 Y CA -0.191 57.419 58.100 -0.818 0.000 1.137 439 Y CB 0.700 38.532 38.460 -1.047 0.000 1.172 439 Y HN 0.806 nan 8.280 nan 0.000 0.478 440 E N 4.188 124.170 120.200 -0.364 0.000 2.210 440 E HA 0.330 4.680 4.350 0.000 0.000 0.266 440 E C -1.023 175.437 176.600 -0.233 0.000 0.883 440 E CA -0.785 55.565 56.400 -0.083 0.000 0.761 440 E CB 1.262 30.974 29.700 0.021 0.000 1.156 440 E HN 0.691 nan 8.360 nan 0.000 0.412 441 T N 2.511 117.106 114.554 0.068 0.000 2.888 441 T HA 0.424 4.774 4.350 0.000 0.000 0.301 441 T C -0.164 174.536 174.700 -0.000 0.000 1.001 441 T CA 0.018 62.169 62.100 0.086 0.000 1.147 441 T CB 1.001 69.999 68.868 0.218 0.000 0.931 441 T HN 0.526 nan 8.240 nan 0.000 0.541 445 R N -0.205 120.240 120.500 -0.093 0.000 2.357 445 R HA 0.147 4.487 4.340 0.000 0.000 0.202 445 R C 0.759 176.924 176.300 -0.224 0.000 1.047 445 R CA 0.634 56.663 56.100 -0.118 0.000 1.034 445 R CB -0.455 29.771 30.300 -0.123 0.000 0.875 445 R HN 0.457 nan 8.270 nan 0.000 0.473 446 Y N -0.501 119.616 120.300 -0.304 0.000 2.352 446 Y HA -0.078 4.472 4.550 0.000 0.000 0.292 446 Y C 0.511 176.035 175.900 -0.626 0.000 1.136 446 Y CA 0.687 58.438 58.100 -0.582 0.000 1.227 446 Y CB 0.033 37.880 38.460 -1.021 0.000 0.991 446 Y HN -0.137 nan 8.280 nan 0.000 0.545 447 F N -2.222 117.828 119.950 0.167 0.000 2.440 447 F HA 0.247 4.774 4.527 0.000 0.000 0.328 447 F C -0.009 175.891 175.800 0.168 0.000 1.070 447 F CA -2.206 55.888 58.000 0.157 0.000 1.011 447 F CB 0.009 39.085 39.000 0.127 0.000 1.226 447 F HN -0.238 nan 8.300 nan 0.000 0.491 448 Y N 2.369 122.828 120.300 0.264 0.000 2.802 448 Y HA -0.068 4.483 4.550 0.000 0.000 0.333 448 Y C 1.133 177.166 175.900 0.220 0.000 1.244 448 Y CA 0.500 58.699 58.100 0.165 0.000 1.558 448 Y CB -0.608 37.877 38.460 0.041 0.000 1.233 448 Y HN 0.684 nan 8.280 nan 0.000 0.547 449 H N 1.564 120.399 119.070 -0.392 0.000 2.884 449 H HA -0.210 4.346 4.556 0.000 0.000 0.289 449 H C 0.858 176.143 175.328 -0.071 0.000 1.142 449 H CA -0.138 55.733 56.048 -0.294 0.000 1.158 449 H CB -1.170 28.343 29.762 -0.415 0.000 1.325 449 H HN 0.930 nan 8.280 nan 0.000 0.366 450 G N 0.291 109.167 108.800 0.127 0.000 2.398 450 G HA2 0.218 4.178 3.960 0.000 0.000 0.246 450 G HA3 0.218 4.178 3.960 0.000 0.000 0.246 450 G C 0.638 175.569 174.900 0.051 0.000 1.289 450 G CA -0.201 44.967 45.100 0.113 0.000 0.869 450 G HN 0.333 nan 8.290 nan 0.000 0.543 451 R N 0.371 120.873 120.500 0.003 0.000 1.933 451 R HA 0.352 4.692 4.340 0.000 0.000 0.167 451 R C 0.842 177.130 176.300 -0.020 0.000 1.823 451 R CA 0.874 56.983 56.100 0.014 0.000 1.418 451 R CB 0.164 30.506 30.300 0.069 0.000 1.174 451 R HN 0.669 nan 8.270 nan 0.000 0.476 452 T N -1.117 113.357 114.554 -0.133 0.000 2.841 452 T HA 0.550 4.900 4.350 0.000 0.000 0.296 452 T C -1.268 173.283 174.700 -0.248 0.000 1.166 452 T CA -0.882 61.146 62.100 -0.120 0.000 1.007 452 T CB 2.643 71.515 68.868 0.005 0.000 1.253 452 T HN 0.072 nan 8.240 nan 0.000 0.511 453 E N -0.353 119.747 120.200 -0.168 0.000 2.393 453 E HA 0.601 4.952 4.350 0.000 0.000 0.273 453 E C -1.277 175.159 176.600 -0.273 0.000 0.918 453 E CA -0.539 55.741 56.400 -0.200 0.000 0.773 453 E CB 2.241 31.878 29.700 -0.105 0.000 1.275 453 E HN 0.756 nan 8.360 nan 0.000 0.451 454 T N 1.468 115.806 114.554 -0.361 0.000 2.806 454 T HA 0.472 4.822 4.350 0.000 0.000 0.290 454 T C -0.670 173.725 174.700 -0.508 0.000 0.966 454 T CA -0.486 61.218 62.100 -0.659 0.000 1.060 454 T CB 0.817 69.322 68.868 -0.605 0.000 0.927 454 T HN 0.254 nan 8.240 nan 0.000 0.485 455 V N 4.928 124.527 119.914 -0.525 0.000 2.370 455 V HA 0.367 4.488 4.120 0.000 0.000 0.283 455 V C 0.381 176.295 176.094 -0.300 0.000 1.023 455 V CA -0.820 61.281 62.300 -0.331 0.000 0.857 455 V CB 1.328 32.996 31.823 -0.258 0.000 0.985 455 V HN 0.735 nan 8.190 nan 0.000 0.443 456 R N 3.287 123.691 120.500 -0.161 0.000 2.391 456 R HA 0.245 4.585 4.340 0.000 0.000 0.310 456 R C 1.016 177.357 176.300 0.068 0.000 1.174 456 R CA -0.219 55.880 56.100 -0.002 0.000 1.118 456 R CB 0.637 31.031 30.300 0.156 0.000 1.134 456 R HN 0.770 nan 8.270 nan 0.000 0.524 457 S N 0.529 116.278 115.700 0.081 0.000 2.442 457 S HA -0.140 4.331 4.470 0.000 0.000 0.236 457 S C 1.166 175.843 174.600 0.128 0.000 1.007 457 S CA 0.539 58.837 58.200 0.163 0.000 0.965 457 S CB 0.047 63.327 63.200 0.133 0.000 0.773 457 S HN 0.633 nan 8.310 nan 0.000 0.504 458 C N 5.075 124.465 119.300 0.151 0.000 2.756 458 C HA 0.388 4.848 4.460 0.000 0.000 0.504 458 C C 1.228 176.270 174.990 0.085 0.000 1.028 458 C CA -0.783 58.316 59.018 0.135 0.000 1.167 458 C CB -2.524 25.380 27.740 0.273 0.000 1.444 458 C HN 0.570 nan 8.230 nan 0.000 0.577 459 T N 0.355 114.939 114.554 0.050 0.000 2.881 459 T HA 0.320 4.670 4.350 0.000 0.000 0.278 459 T C 1.281 175.957 174.700 -0.041 0.000 0.982 459 T CA -0.599 61.513 62.100 0.021 0.000 0.989 459 T CB 1.271 70.163 68.868 0.041 0.000 1.058 459 T HN 0.174 nan 8.240 nan 0.000 0.529 460 V N 1.344 121.226 119.914 -0.054 0.000 2.343 460 V HA -0.132 3.989 4.120 0.000 0.000 0.247 460 V C 2.719 178.784 176.094 -0.047 0.000 1.051 460 V CA 2.114 64.364 62.300 -0.083 0.000 1.036 460 V CB -1.079 30.694 31.823 -0.083 0.000 0.654 460 V HN 0.897 nan 8.190 nan 0.000 0.451 461 E N 0.491 120.683 120.200 -0.012 0.000 2.077 461 E HA -0.142 4.208 4.350 0.000 0.000 0.193 461 E C 2.257 178.890 176.600 0.056 0.000 0.989 461 E CA 1.453 57.864 56.400 0.018 0.000 0.800 461 E CB -0.587 29.126 29.700 0.022 0.000 0.746 461 E HN 0.592 nan 8.360 nan 0.000 0.452 462 A N 0.463 123.311 122.820 0.046 0.000 1.902 462 A HA -0.151 4.169 4.320 0.000 0.000 0.217 462 A C 2.464 180.081 177.584 0.055 0.000 1.181 462 A CA 1.442 53.541 52.037 0.105 0.000 0.623 462 A CB -0.706 18.327 19.000 0.056 0.000 0.818 462 A HN 0.152 nan 8.150 nan 0.000 0.443 463 V N -0.114 119.758 119.914 -0.069 0.000 2.358 463 V HA -0.251 3.869 4.120 0.000 0.000 0.246 463 V C 2.597 178.557 176.094 -0.223 0.000 1.047 463 V CA 2.181 64.355 62.300 -0.211 0.000 1.035 463 V CB -0.861 30.847 31.823 -0.192 0.000 0.658 463 V HN 0.509 nan 8.190 nan 0.000 0.452 464 R N -1.177 119.265 120.500 -0.097 0.000 2.091 464 R HA -0.233 4.107 4.340 0.000 0.000 0.238 464 R C 2.127 178.404 176.300 -0.038 0.000 1.136 464 R CA 2.179 58.239 56.100 -0.066 0.000 0.959 464 R CB -0.439 29.852 30.300 -0.014 0.000 0.856 464 R HN 0.701 nan 8.270 nan 0.000 0.437 465 W N 0.690 121.905 121.300 -0.141 0.000 2.381 465 W HA -0.191 4.469 4.660 0.000 0.000 0.301 465 W C 1.877 178.293 176.519 -0.171 0.000 1.205 465 W CA 0.525 57.798 57.345 -0.119 0.000 1.285 465 W CB -0.697 28.710 29.460 -0.089 0.000 1.133 465 W HN -0.001 nan 8.180 nan 0.000 0.521 466 C N 0.778 119.701 119.300 -0.628 0.000 2.413 466 C HA -0.242 4.218 4.460 0.000 0.000 0.276 466 C C 2.645 177.184 174.990 -0.752 0.000 1.248 466 C CA 1.763 60.204 59.018 -0.962 0.000 1.742 466 C CB -1.282 25.845 27.740 -1.023 0.000 2.017 466 C HN 0.473 nan 8.230 nan 0.000 0.481 467 Q N 0.929 120.387 119.800 -0.569 0.000 2.084 467 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 467 Q C 1.572 177.455 176.000 -0.195 0.000 0.978 467 Q CA 1.430 57.062 55.803 -0.285 0.000 0.844 467 Q CB -0.268 28.368 28.738 -0.171 0.000 0.898 467 Q HN 0.828 nan 8.270 nan 0.000 0.426 471 D N 3.248 123.619 120.400 -0.048 0.000 2.359 471 D HA 0.216 4.856 4.640 0.000 0.000 0.230 471 D C -1.403 174.882 176.300 -0.024 0.000 1.118 471 D CA -1.630 52.351 54.000 -0.031 0.000 0.844 471 D CB 1.762 42.542 40.800 -0.033 0.000 1.059 471 D HN -0.107 nan 8.370 nan 0.000 0.493 472 P HA -0.030 nan 4.420 nan 0.000 0.234 472 P C 0.669 177.963 177.300 -0.010 0.000 1.167 472 P CA 0.365 63.457 63.100 -0.013 0.000 0.763 472 P CB 0.564 32.256 31.700 -0.012 0.000 0.835 473 S N -0.770 114.924 115.700 -0.010 0.000 2.511 473 S HA 0.276 4.746 4.470 0.000 0.000 0.214 473 S C 1.111 175.708 174.600 -0.004 0.000 0.997 473 S CA -0.246 57.950 58.200 -0.006 0.000 0.908 473 S CB 0.010 63.206 63.200 -0.007 0.000 0.803 473 S HN 0.207 nan 8.310 nan 0.000 0.504 474 A N 2.913 125.729 122.820 -0.007 0.000 2.396 474 A HA 0.530 4.850 4.320 0.000 0.000 0.279 474 A C 0.714 178.302 177.584 0.006 0.000 1.165 474 A CA -0.566 51.470 52.037 -0.001 0.000 0.824 474 A CB 0.016 19.011 19.000 -0.008 0.000 1.100 474 A HN 0.388 nan 8.150 nan 0.000 0.516 475 S N 2.467 118.173 115.700 0.011 0.000 2.600 475 S HA 0.288 4.758 4.470 0.000 0.000 0.265 475 S C 0.954 175.569 174.600 0.024 0.000 1.325 475 S CA -0.551 57.658 58.200 0.014 0.000 1.002 475 S CB 0.362 63.569 63.200 0.013 0.000 0.921 475 S HN 0.456 nan 8.310 nan 0.000 0.554 476 L N 0.758 121.996 121.223 0.024 0.000 2.083 476 L HA -0.015 4.325 4.340 0.000 0.000 0.209 476 L C 2.384 179.277 176.870 0.039 0.000 1.083 476 L CA 1.322 56.183 54.840 0.034 0.000 0.752 476 L CB -1.441 40.634 42.059 0.026 0.000 0.899 476 L HN 0.833 nan 8.230 nan 0.000 0.433 477 L N -0.412 120.827 121.223 0.027 0.000 2.046 477 L HA -0.205 4.135 4.340 0.000 0.000 0.208 477 L C 2.478 179.368 176.870 0.034 0.000 1.077 477 L CA 1.788 56.643 54.840 0.024 0.000 0.747 477 L CB -0.688 41.380 42.059 0.015 0.000 0.896 477 L HN 0.437 nan 8.230 nan 0.000 0.432 478 E N -0.587 119.635 120.200 0.037 0.000 2.077 478 E HA -0.251 4.099 4.350 0.000 0.000 0.193 478 E C 2.302 178.951 176.600 0.081 0.000 0.989 478 E CA 1.089 57.516 56.400 0.045 0.000 0.800 478 E CB -0.031 29.689 29.700 0.033 0.000 0.746 478 E HN 0.518 nan 8.360 nan 0.000 0.452 479 R N 0.167 120.726 120.500 0.097 0.000 2.075 479 R HA -0.140 4.200 4.340 0.000 0.000 0.232 479 R C 2.604 179.034 176.300 0.218 0.000 1.126 479 R CA 1.584 57.792 56.100 0.180 0.000 0.963 479 R CB -0.260 30.128 30.300 0.146 0.000 0.858 479 R HN 0.292 nan 8.270 nan 0.000 0.435 480 Q N 0.620 120.490 119.800 0.117 0.000 2.079 480 Q HA -0.246 4.094 4.340 0.000 0.000 0.200 480 Q C 2.140 178.156 176.000 0.026 0.000 0.974 480 Q CA 1.628 57.467 55.803 0.061 0.000 0.840 480 Q CB 0.113 28.866 28.738 0.025 0.000 0.898 480 Q HN 0.125 nan 8.270 nan 0.000 0.430 481 Q N 0.959 120.781 119.800 0.037 0.000 2.050 481 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 481 Q C 0.142 176.162 176.000 0.033 0.000 0.980 481 Q CA 1.425 57.241 55.803 0.023 0.000 0.840 481 Q CB 0.058 28.811 28.738 0.025 0.000 0.898 481 Q HN 0.159 nan 8.270 nan 0.000 0.424 485 E N 1.370 121.581 120.200 0.017 0.000 2.150 485 E HA -0.106 4.244 4.350 0.000 0.000 0.193 485 E C 2.033 178.652 176.600 0.031 0.000 0.985 485 E CA 1.348 57.765 56.400 0.028 0.000 0.814 485 E CB 0.082 29.796 29.700 0.024 0.000 0.752 485 E HN 0.519 nan 8.360 nan 0.000 0.466 486 A N 0.405 123.223 122.820 -0.003 0.000 1.929 486 A HA -0.120 4.200 4.320 0.000 0.000 0.216 486 A C 1.820 179.376 177.584 -0.046 0.000 1.176 486 A CA 0.785 52.794 52.037 -0.046 0.000 0.628 486 A CB -0.576 18.336 19.000 -0.147 0.000 0.816 486 A HN 0.166 nan 8.150 nan 0.000 0.444 487 F N 0.379 120.245 119.950 -0.140 0.000 2.075 487 F HA -0.147 4.380 4.527 0.000 0.000 0.297 487 F C 2.821 178.622 175.800 0.003 0.000 1.113 487 F CA 1.430 59.384 58.000 -0.076 0.000 1.218 487 F CB -0.416 38.532 39.000 -0.088 0.000 0.984 487 F HN 0.262 nan 8.300 nan 0.000 0.472 488 A N -0.378 122.559 122.820 0.194 0.000 1.908 488 A HA -0.283 4.038 4.320 0.000 0.000 0.218 488 A C 2.096 179.727 177.584 0.078 0.000 1.181 488 A CA 2.128 54.235 52.037 0.116 0.000 0.627 488 A CB -0.729 18.315 19.000 0.072 0.000 0.818 488 A HN 0.293 nan 8.150 nan 0.000 0.445 489 K N -0.623 119.815 120.400 0.063 0.000 2.057 489 K HA -0.200 4.121 4.320 0.000 0.000 0.207 489 K C 2.054 178.674 176.600 0.034 0.000 1.049 489 K CA 2.000 58.312 56.287 0.041 0.000 0.931 489 K CB -0.596 31.925 32.500 0.035 0.000 0.714 489 K HN 0.657 nan 8.250 nan 0.000 0.440 490 H N 0.137 119.182 119.070 -0.043 0.000 2.357 490 H HA -0.028 4.528 4.556 0.000 0.000 0.301 490 H C 1.339 176.639 175.328 -0.045 0.000 1.082 490 H CA 1.560 57.568 56.048 -0.067 0.000 1.342 490 H CB 0.164 29.836 29.762 -0.151 0.000 1.389 490 H HN 0.270 nan 8.280 nan 0.000 0.511 491 N N 1.304 120.055 118.700 0.085 0.000 2.120 491 N HA -0.120 4.620 4.740 0.000 0.000 0.188 491 N C 1.250 176.751 175.510 -0.016 0.000 1.024 491 N CA 0.561 53.639 53.050 0.047 0.000 0.852 491 N CB -0.094 38.455 38.487 0.103 0.000 1.003 491 N HN 0.393 nan 8.380 nan 0.000 0.424 496 D N 1.405 121.822 120.400 0.029 0.000 2.097 496 D HA -0.120 4.520 4.640 0.000 0.000 0.195 496 D C 1.709 178.104 176.300 0.157 0.000 0.989 496 D CA 1.637 55.682 54.000 0.074 0.000 0.827 496 D CB -0.459 40.374 40.800 0.055 0.000 0.966 496 D HN 0.320 nan 8.370 nan 0.000 0.456 497 C N 0.880 120.244 119.300 0.107 0.000 2.413 497 C HA -0.133 4.327 4.460 0.000 0.000 0.276 497 C C 2.991 178.082 174.990 0.169 0.000 1.236 497 C CA 1.517 60.590 59.018 0.092 0.000 1.735 497 C CB -1.121 26.612 27.740 -0.011 0.000 2.031 497 C HN 0.449 nan 8.230 nan 0.000 0.474 498 S N -0.114 115.725 115.700 0.232 0.000 2.447 498 S HA -0.151 4.319 4.470 0.000 0.000 0.233 498 S C 1.049 175.887 174.600 0.396 0.000 1.006 498 S CA 1.334 59.714 58.200 0.301 0.000 0.957 498 S CB -0.738 62.663 63.200 0.335 0.000 0.773 498 S HN 0.776 nan 8.310 nan 0.000 0.507 499 H N 1.160 120.391 119.070 0.267 0.000 2.519 499 H HA 0.466 5.022 4.556 0.000 0.000 0.289 499 H C 1.506 177.086 175.328 0.420 0.000 1.040 499 H CA -0.228 56.005 56.048 0.309 0.000 1.165 499 H CB -0.152 29.662 29.762 0.087 0.000 1.462 499 H HN 0.532 nan 8.280 nan 0.000 0.555 500 G N 0.893 109.932 108.800 0.398 0.000 2.143 500 G HA2 -0.353 3.607 3.960 0.000 0.000 0.248 500 G HA3 -0.353 3.607 3.960 0.000 0.000 0.248 500 G C 0.921 175.894 174.900 0.121 0.000 0.991 500 G CA 0.403 45.581 45.100 0.130 0.000 0.689 500 G HN 0.476 nan 8.290 nan 0.000 0.522 501 K N 0.217 120.718 120.400 0.168 0.000 2.399 501 K HA 0.359 4.679 4.320 0.000 0.000 0.204 501 K C 1.684 178.393 176.600 0.181 0.000 1.023 501 K CA 0.101 56.483 56.287 0.158 0.000 1.127 501 K CB 0.854 33.438 32.500 0.141 0.000 0.856 501 K HN 0.388 nan 8.250 nan 0.000 0.514 502 G N 0.615 109.508 108.800 0.156 0.000 2.683 502 G HA2 0.128 4.088 3.960 0.000 0.000 0.260 502 G HA3 0.128 4.088 3.960 0.000 0.000 0.260 502 G C 0.285 175.342 174.900 0.262 0.000 1.238 502 G CA -0.347 44.830 45.100 0.129 0.000 0.934 502 G HN 0.311 nan 8.290 nan 0.000 0.534 503 F N -2.921 117.138 119.950 0.182 0.000 2.789 503 F HA 0.370 4.897 4.527 0.000 0.000 0.320 503 F C 1.296 177.251 175.800 0.258 0.000 1.079 503 F CA -0.008 58.142 58.000 0.249 0.000 1.205 503 F CB 0.198 39.324 39.000 0.210 0.000 1.046 503 F HN 0.351 nan 8.300 nan 0.000 0.586 504 D N 1.246 121.511 120.400 -0.225 0.000 2.097 504 D HA -0.106 4.534 4.640 0.000 0.000 0.195 504 D C 2.078 178.524 176.300 0.243 0.000 0.989 504 D CA 1.463 55.455 54.000 -0.012 0.000 0.827 504 D CB 0.011 40.722 40.800 -0.148 0.000 0.966 504 D HN 0.029 nan 8.370 nan 0.000 0.456 505 R N -0.314 120.313 120.500 0.212 0.000 2.115 505 R HA -0.080 4.260 4.340 0.000 0.000 0.230 505 R C 2.091 178.761 176.300 0.616 0.000 1.111 505 R CA 0.883 57.169 56.100 0.310 0.000 0.976 505 R CB -1.030 29.336 30.300 0.111 0.000 0.870 505 R HN 0.551 nan 8.270 nan 0.000 0.445 506 H N 0.724 120.083 119.070 0.481 0.000 2.293 506 H HA -0.014 4.542 4.556 0.000 0.000 0.300 506 H C 2.042 177.614 175.328 0.406 0.000 1.082 506 H CA 1.386 57.708 56.048 0.457 0.000 1.308 506 H CB 0.113 30.098 29.762 0.373 0.000 1.375 506 H HN 0.037 nan 8.280 nan 0.000 0.495 507 L N 0.382 121.859 121.223 0.424 0.000 2.131 507 L HA -0.182 4.158 4.340 0.000 0.000 0.210 507 L C 2.696 179.840 176.870 0.457 0.000 1.092 507 L CA 0.499 55.563 54.840 0.373 0.000 0.759 507 L CB -0.336 41.956 42.059 0.389 0.000 0.903 507 L HN 0.346 nan 8.230 nan 0.000 0.435 508 L N 0.446 121.922 121.223 0.421 0.000 2.056 508 L HA -0.047 4.293 4.340 0.000 0.000 0.207 508 L C 2.372 179.326 176.870 0.140 0.000 1.078 508 L CA 2.091 57.092 54.840 0.268 0.000 0.749 508 L CB -1.093 41.169 42.059 0.338 0.000 0.901 508 L HN 0.099 nan 8.230 nan 0.000 0.433 509 G N -0.223 108.792 108.800 0.358 0.000 2.440 509 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 509 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 509 G C 1.571 176.522 174.900 0.086 0.000 1.154 509 G CA 1.186 46.480 45.100 0.323 0.000 0.767 509 G HN 0.458 nan 8.290 nan 0.000 0.552 510 L N -0.387 120.962 121.223 0.210 0.000 2.056 510 L HA -0.005 4.335 4.340 0.000 0.000 0.207 510 L C 2.689 179.597 176.870 0.064 0.000 1.078 510 L CA 0.553 55.522 54.840 0.215 0.000 0.749 510 L CB -0.531 41.766 42.059 0.397 0.000 0.901 510 L HN 0.236 nan 8.230 nan 0.000 0.433 511 L N 0.088 121.240 121.223 -0.119 0.000 2.046 511 L HA -0.192 4.148 4.340 0.000 0.000 0.208 511 L C 2.296 178.936 176.870 -0.383 0.000 1.077 511 L CA 1.731 56.260 54.840 -0.518 0.000 0.747 511 L CB -0.382 41.064 42.059 -1.022 0.000 0.896 511 L HN 0.113 nan 8.230 nan 0.000 0.432 512 L N -1.196 119.755 121.223 -0.453 0.000 2.156 512 L HA -0.175 4.165 4.340 0.000 0.000 0.208 512 L C 2.482 179.131 176.870 -0.368 0.000 1.095 512 L CA 0.490 54.955 54.840 -0.626 0.000 0.770 512 L CB -0.576 40.642 42.059 -1.403 0.000 0.914 512 L HN 0.273 nan 8.230 nan 0.000 0.439 513 I N 0.541 120.999 120.570 -0.187 0.000 2.179 513 I HA -0.253 3.917 4.170 0.000 0.000 0.242 513 I C 2.894 179.027 176.117 0.028 0.000 1.088 513 I CA 1.599 62.944 61.300 0.076 0.000 1.357 513 I CB -1.273 36.812 38.000 0.142 0.000 1.051 513 I HN 0.180 nan 8.210 nan 0.000 0.409 514 A N 1.016 123.827 122.820 -0.015 0.000 1.883 514 A HA -0.243 4.077 4.320 0.000 0.000 0.217 514 A C 2.370 179.934 177.584 -0.034 0.000 1.186 514 A CA 1.810 53.841 52.037 -0.010 0.000 0.624 514 A CB -0.569 18.425 19.000 -0.011 0.000 0.822 514 A HN 0.372 nan 8.150 nan 0.000 0.444 515 K N -0.410 119.938 120.400 -0.087 0.000 2.057 515 K HA -0.136 4.184 4.320 0.000 0.000 0.207 515 K C 1.807 178.394 176.600 -0.022 0.000 1.049 515 K CA 1.498 57.739 56.287 -0.076 0.000 0.931 515 K CB -0.196 32.226 32.500 -0.130 0.000 0.714 515 K HN 0.611 nan 8.250 nan 0.000 0.440 516 E N 0.577 120.784 120.200 0.010 0.000 2.338 516 E HA -0.126 4.224 4.350 0.000 0.000 0.197 516 E C 1.394 178.032 176.600 0.063 0.000 1.007 516 E CA 0.538 56.981 56.400 0.072 0.000 0.849 516 E CB 0.193 29.995 29.700 0.170 0.000 0.774 516 E HN 0.267 nan 8.360 nan 0.000 0.506 517 E N -0.409 119.818 120.200 0.045 0.000 2.442 517 E HA 0.008 4.358 4.350 0.000 0.000 0.195 517 E C 1.266 177.881 176.600 0.024 0.000 1.030 517 E CA 0.592 57.015 56.400 0.039 0.000 0.869 517 E CB 0.784 30.506 29.700 0.036 0.000 0.857 517 E HN 0.358 nan 8.360 nan 0.000 0.505 518 G N 1.522 110.330 108.800 0.014 0.000 2.141 518 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 518 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 518 G C 0.262 175.163 174.900 0.002 0.000 0.982 518 G CA 0.309 45.413 45.100 0.007 0.000 0.662 518 G HN 0.165 nan 8.290 nan 0.000 0.527 519 L N 1.347 122.571 121.223 0.002 0.000 2.421 519 L HA 0.534 4.874 4.340 0.000 0.000 0.263 519 L C -0.907 175.960 176.870 -0.006 0.000 1.122 519 L CA -2.093 52.750 54.840 0.005 0.000 0.804 519 L CB 0.398 42.466 42.059 0.016 0.000 1.150 519 L HN 0.013 nan 8.230 nan 0.000 0.457 520 P HA 0.113 nan 4.420 nan 0.000 0.276 520 P C -0.679 176.616 177.300 -0.008 0.000 1.252 520 P CA -0.439 62.656 63.100 -0.008 0.000 0.802 520 P CB 0.921 32.622 31.700 0.001 0.000 1.035 521 V N 2.929 122.826 119.914 -0.029 0.000 2.493 521 V HA 0.034 4.154 4.120 0.000 0.000 0.292 521 V C -1.774 174.346 176.094 0.044 0.000 1.016 521 V CA -0.757 61.519 62.300 -0.039 0.000 1.097 521 V CB -0.609 31.168 31.823 -0.078 0.000 0.947 521 V HN 0.586 nan 8.190 nan 0.000 0.479 522 P HA 0.027 nan 4.420 nan 0.000 0.266 522 P C 0.961 178.305 177.300 0.074 0.000 1.195 522 P CA -0.070 63.140 63.100 0.183 0.000 0.768 522 P CB 0.426 32.344 31.700 0.363 0.000 0.838 523 E N 3.412 123.616 120.200 0.006 0.000 2.267 523 E HA -0.192 4.158 4.350 0.000 0.000 0.197 523 E C 1.526 178.022 176.600 -0.174 0.000 0.998 523 E CA 0.676 57.045 56.400 -0.052 0.000 0.830 523 E CB -0.627 29.058 29.700 -0.026 0.000 0.751 523 E HN 0.392 nan 8.360 nan 0.000 0.491 524 L N 0.114 121.113 121.223 -0.374 0.000 2.079 524 L HA -0.170 4.170 4.340 0.000 0.000 0.210 524 L C 1.829 178.228 176.870 -0.785 0.000 1.081 524 L CA 1.443 55.884 54.840 -0.666 0.000 0.752 524 L CB -0.166 41.125 42.059 -1.280 0.000 0.896 524 L HN 0.097 nan 8.230 nan 0.000 0.433 525 F N -0.048 119.521 119.950 -0.634 0.000 2.558 525 F HA -0.048 4.479 4.527 0.000 0.000 0.298 525 F C 2.285 177.836 175.800 -0.414 0.000 1.119 525 F CA 0.684 58.146 58.000 -0.897 0.000 1.451 525 F CB -0.129 38.391 39.000 -0.800 0.000 1.091 525 F HN 0.136 nan 8.300 nan 0.000 0.563 526 E N -0.481 119.669 120.200 -0.082 0.000 2.442 526 E HA -0.076 4.274 4.350 0.000 0.000 0.195 526 E C 0.298 176.906 176.600 0.014 0.000 1.030 526 E CA -0.036 56.356 56.400 -0.013 0.000 0.869 526 E CB -0.084 29.609 29.700 -0.011 0.000 0.857 526 E HN 0.139 nan 8.360 nan 0.000 0.505 527 D N 1.653 122.055 120.400 0.003 0.000 2.487 527 D HA -0.037 4.603 4.640 0.000 0.000 0.243 527 D C -1.687 174.676 176.300 0.104 0.000 1.154 527 D CA -1.762 52.266 54.000 0.047 0.000 0.876 527 D CB 1.192 42.023 40.800 0.052 0.000 1.161 527 D HN -0.183 nan 8.370 nan 0.000 0.478 528 P HA -0.134 nan 4.420 nan 0.000 0.217 528 P C 1.544 178.899 177.300 0.091 0.000 1.148 528 P CA 0.941 64.086 63.100 0.074 0.000 0.828 528 P CB 0.157 31.888 31.700 0.052 0.000 0.783 529 L N -3.013 118.278 121.223 0.112 0.000 2.275 529 L HA -0.133 4.207 4.340 0.000 0.000 0.215 529 L C 2.243 179.204 176.870 0.151 0.000 1.119 529 L CA 0.925 55.833 54.840 0.114 0.000 0.790 529 L CB -0.656 41.470 42.059 0.111 0.000 0.919 529 L HN -0.022 nan 8.230 nan 0.000 0.443 530 F N 0.984 120.996 119.950 0.104 0.000 2.146 530 F HA -0.254 4.274 4.527 0.000 0.000 0.298 530 F C 2.773 178.590 175.800 0.029 0.000 1.096 530 F CA 1.780 59.861 58.000 0.135 0.000 1.275 530 F CB -0.003 39.010 39.000 0.022 0.000 1.008 530 F HN 0.108 nan 8.300 nan 0.000 0.480 531 S N -0.236 115.534 115.700 0.117 0.000 2.425 531 S HA -0.083 4.387 4.470 0.000 0.000 0.225 531 S C 2.174 176.648 174.600 -0.209 0.000 1.024 531 S CA 0.471 58.645 58.200 -0.043 0.000 0.951 531 S CB -0.629 62.602 63.200 0.053 0.000 0.796 531 S HN 0.454 nan 8.310 nan 0.000 0.498 532 R N 1.798 122.199 120.500 -0.165 0.000 2.105 532 R HA -0.085 4.255 4.340 0.000 0.000 0.239 532 R C 2.151 178.080 176.300 -0.619 0.000 1.135 532 R CA 1.715 57.654 56.100 -0.269 0.000 0.967 532 R CB -0.487 29.741 30.300 -0.121 0.000 0.861 532 R HN 0.645 nan 8.270 nan 0.000 0.442 533 S N -1.804 113.559 115.700 -0.562 0.000 2.607 533 S HA 0.126 4.596 4.470 0.000 0.000 0.224 533 S C 1.238 175.395 174.600 -0.739 0.000 0.969 533 S CA 0.546 58.294 58.200 -0.754 0.000 0.927 533 S CB 0.722 63.815 63.200 -0.179 0.000 0.772 533 S HN 0.595 nan 8.310 nan 0.000 0.533 534 G N 0.222 108.517 108.800 -0.841 0.000 2.284 534 G HA2 -0.055 3.905 3.960 0.000 0.000 0.201 534 G HA3 -0.055 3.905 3.960 0.000 0.000 0.201 534 G C 0.477 174.654 174.900 -1.205 0.000 0.998 534 G CA -0.281 43.934 45.100 -1.475 0.000 0.651 534 G HN 1.033 nan 8.290 nan 0.000 0.489 535 G N -0.278 108.061 108.800 -0.768 0.000 2.562 535 G HA2 0.480 4.440 3.960 0.000 0.000 0.233 535 G HA3 0.480 4.440 3.960 0.000 0.000 0.233 535 G C 1.515 176.355 174.900 -0.101 0.000 1.266 535 G CA 1.713 46.470 45.100 -0.571 0.000 0.852 535 G HN 1.954 nan 8.290 nan 0.000 0.581 536 G N -0.596 108.325 108.800 0.202 0.000 2.143 536 G HA2 0.235 4.195 3.960 0.000 0.000 0.248 536 G HA3 0.235 4.195 3.960 0.000 0.000 0.248 536 G C 1.296 176.257 174.900 0.102 0.000 0.991 536 G CA 0.872 46.101 45.100 0.215 0.000 0.689 536 G HN 2.683 nan 8.290 nan 0.000 0.522 537 G N -0.953 107.915 108.800 0.114 0.000 2.212 537 G HA2 -0.248 3.712 3.960 0.000 0.000 0.255 537 G HA3 -0.248 3.712 3.960 0.000 0.000 0.255 537 G C 0.306 175.241 174.900 0.059 0.000 1.062 537 G CA 0.546 45.719 45.100 0.122 0.000 0.815 537 G HN 0.978 nan 8.290 nan 0.000 0.497 538 N N -0.346 118.307 118.700 -0.077 0.000 2.338 538 N HA 0.207 4.947 4.740 0.000 0.000 0.251 538 N C -0.042 175.359 175.510 -0.182 0.000 1.199 538 N CA -0.175 52.801 53.050 -0.124 0.000 0.879 538 N CB 0.246 38.631 38.487 -0.170 0.000 1.159 538 N HN 0.358 nan 8.380 nan 0.000 0.514 539 F N 1.071 121.029 119.950 0.013 0.000 2.504 539 F HA 0.006 4.533 4.527 0.000 0.000 0.369 539 F C 1.961 177.768 175.800 0.012 0.000 1.082 539 F CA -0.549 57.459 58.000 0.012 0.000 1.216 539 F CB 0.939 39.998 39.000 0.099 0.000 1.108 539 F HN -0.134 nan 8.300 nan 0.000 0.554 540 V N 1.810 121.802 119.914 0.130 0.000 3.217 540 V HA 0.074 4.194 4.120 0.000 0.000 0.264 540 V C 0.350 176.536 176.094 0.153 0.000 1.135 540 V CA 0.813 63.170 62.300 0.095 0.000 1.142 540 V CB -0.825 31.014 31.823 0.026 0.000 0.754 540 V HN 0.544 nan 8.190 nan 0.000 0.484 541 L N 1.262 122.575 121.223 0.149 0.000 2.372 541 L HA 0.569 4.909 4.340 0.000 0.000 0.274 541 L C -0.293 176.665 176.870 0.147 0.000 0.988 541 L CA -0.076 54.839 54.840 0.126 0.000 0.833 541 L CB 1.885 43.946 42.059 0.003 0.000 1.236 541 L HN 0.123 nan 8.230 nan 0.000 0.410 542 S N 2.302 118.073 115.700 0.118 0.000 2.498 542 S HA 0.740 5.210 4.470 0.000 0.000 0.324 542 S C -0.288 174.311 174.600 -0.002 0.000 1.071 542 S CA -0.349 57.916 58.200 0.107 0.000 1.113 542 S CB 0.782 64.066 63.200 0.140 0.000 0.976 542 S HN 0.699 nan 8.310 nan 0.000 0.462 543 T N 1.005 115.631 114.554 0.120 0.000 2.865 543 T HA 0.832 5.182 4.350 0.000 0.000 0.294 543 T C -0.627 174.239 174.700 0.277 0.000 1.119 543 T CA -0.778 61.339 62.100 0.028 0.000 1.007 543 T CB 1.754 70.710 68.868 0.146 0.000 1.225 543 T HN 0.615 nan 8.240 nan 0.000 0.515 544 S N 0.257 116.093 115.700 0.227 0.000 2.578 544 S HA 0.466 4.936 4.470 0.000 0.000 0.285 544 S C -1.858 172.539 174.600 -0.339 0.000 1.126 544 S CA -0.846 57.427 58.200 0.121 0.000 0.878 544 S CB 1.186 64.528 63.200 0.238 0.000 1.091 544 S HN 1.182 nan 8.310 nan 0.000 0.450 545 L N 5.341 126.321 121.223 -0.405 0.000 2.367 545 L HA 0.584 4.924 4.340 0.000 0.000 0.275 545 L C 0.383 177.053 176.870 -0.335 0.000 1.129 545 L CA 0.456 54.902 54.840 -0.657 0.000 0.839 545 L CB 1.094 43.043 42.059 -0.182 0.000 1.133 545 L HN 0.523 nan 8.230 nan 0.000 0.453 546 V N 5.022 124.752 119.914 -0.307 0.000 3.596 546 V HA 0.549 4.669 4.120 0.000 0.000 0.289 546 V C 1.062 177.065 176.094 -0.151 0.000 1.336 546 V CA 0.646 62.836 62.300 -0.183 0.000 1.137 546 V CB -1.190 30.560 31.823 -0.121 0.000 0.966 546 V HN 1.204 nan 8.190 nan 0.000 0.428 547 G N 0.122 108.805 108.800 -0.196 0.000 2.396 547 G HA2 -0.135 3.825 3.960 0.000 0.000 0.254 547 G HA3 -0.135 3.825 3.960 0.000 0.000 0.254 547 G C -0.647 174.033 174.900 -0.366 0.000 1.248 547 G CA -0.280 44.702 45.100 -0.196 0.000 1.033 547 G HN 0.056 nan 8.290 nan 0.000 0.502 548 Y N -0.024 120.284 120.300 0.013 0.000 2.715 548 Y HA 0.524 5.074 4.550 0.000 0.000 0.255 548 Y C 1.345 177.197 175.900 -0.081 0.000 1.139 548 Y CA -0.281 57.838 58.100 0.032 0.000 1.151 548 Y CB 0.491 38.965 38.460 0.024 0.000 1.201 548 Y HN 0.306 nan 8.280 nan 0.000 0.556 549 L N 0.021 121.192 121.223 -0.087 0.000 3.017 549 L HA 0.332 4.673 4.340 0.000 0.000 0.255 549 L C 0.544 177.276 176.870 -0.229 0.000 1.247 549 L CA -0.055 54.599 54.840 -0.310 0.000 1.038 549 L CB 0.074 41.833 42.059 -0.500 0.000 1.380 549 L HN 0.234 nan 8.230 nan 0.000 0.548 550 R N -1.297 119.072 120.500 -0.218 0.000 3.953 550 R HA -0.144 4.196 4.340 0.000 0.000 0.340 550 R C -0.318 175.670 176.300 -0.519 0.000 1.195 550 R CA 0.420 56.346 56.100 -0.290 0.000 0.929 550 R CB -2.059 28.224 30.300 -0.029 0.000 1.402 550 R HN 0.185 nan 8.270 nan 0.000 0.540 551 V N 0.818 120.366 119.914 -0.609 0.000 2.555 551 V HA 0.335 4.455 4.120 0.000 0.000 0.302 551 V C 0.056 175.927 176.094 -0.372 0.000 1.038 551 V CA -0.660 61.416 62.300 -0.375 0.000 0.887 551 V CB 2.003 33.724 31.823 -0.171 0.000 0.991 551 V HN 0.041 nan 8.190 nan 0.000 0.434 552 Q N 2.218 121.976 119.800 -0.069 0.000 2.337 552 Q HA 0.763 5.103 4.340 0.000 0.000 0.266 552 Q C -0.284 175.854 176.000 0.229 0.000 1.023 552 Q CA -0.100 55.827 55.803 0.208 0.000 0.829 552 Q CB 2.057 31.102 28.738 0.510 0.000 1.306 552 Q HN 0.941 nan 8.270 nan 0.000 0.449 553 G N 0.804 109.680 108.800 0.126 0.000 2.533 553 G HA2 0.763 4.723 3.960 0.000 0.000 0.304 553 G HA3 0.763 4.723 3.960 0.000 0.000 0.304 553 G C -1.395 173.431 174.900 -0.123 0.000 1.263 553 G CA -0.194 44.934 45.100 0.047 0.000 0.964 553 G HN 1.052 nan 8.290 nan 0.000 0.479 554 V N -1.758 118.053 119.914 -0.172 0.000 3.204 554 V HA 0.886 5.006 4.120 0.000 0.000 0.298 554 V C -0.645 175.268 176.094 -0.301 0.000 1.328 554 V CA -0.449 61.586 62.300 -0.441 0.000 1.035 554 V CB 1.348 33.068 31.823 -0.173 0.000 1.095 554 V HN 1.734 nan 8.190 nan 0.000 0.442 555 V N 0.651 120.369 119.914 -0.327 0.000 3.160 555 V HA 0.967 5.087 4.120 0.000 0.000 0.310 555 V C 0.297 176.441 176.094 0.083 0.000 1.181 555 V CA -0.304 61.978 62.300 -0.030 0.000 1.047 555 V CB 1.246 33.088 31.823 0.032 0.000 1.068 555 V HN 2.315 nan 8.190 nan 0.000 0.441 556 V N -1.601 118.341 119.914 0.047 0.000 3.264 556 V HA 0.600 4.720 4.120 0.000 0.000 0.304 556 V C -1.950 174.153 176.094 0.015 0.000 1.086 556 V CA -1.246 60.987 62.300 -0.112 0.000 1.090 556 V CB -0.265 31.451 31.823 -0.178 0.000 1.112 556 V HN 0.912 nan 8.190 nan 0.000 0.472 560 H N 2.886 122.027 119.070 0.119 0.000 2.319 560 H HA -0.140 4.416 4.556 0.000 0.000 0.297 560 H C 1.369 176.792 175.328 0.159 0.000 1.097 560 H CA 2.587 58.693 56.048 0.096 0.000 1.285 560 H CB 0.274 29.997 29.762 -0.066 0.000 1.368 560 H HN 0.934 nan 8.280 nan 0.000 0.495 561 N N 0.727 119.402 118.700 -0.040 0.000 2.327 561 N HA 0.092 4.832 4.740 0.000 0.000 0.231 561 N C 0.333 175.753 175.510 -0.149 0.000 1.130 561 N CA 0.296 53.245 53.050 -0.168 0.000 0.845 561 N CB 0.270 38.696 38.487 -0.102 0.000 1.073 561 N HN 0.232 nan 8.380 nan 0.000 0.496 562 G N -0.610 108.145 108.800 -0.075 0.000 2.820 562 G HA2 0.590 4.550 3.960 0.000 0.000 0.291 562 G HA3 0.590 4.550 3.960 0.000 0.000 0.291 562 G C -1.604 173.185 174.900 -0.185 0.000 1.323 562 G CA -0.492 44.577 45.100 -0.052 0.000 1.055 562 G HN 0.162 nan 8.290 nan 0.000 0.520 563 Y N -1.628 118.713 120.300 0.069 0.000 2.570 563 Y HA 0.622 5.172 4.550 0.000 0.000 0.345 563 Y C 0.655 176.569 175.900 0.023 0.000 1.014 563 Y CA -0.572 57.551 58.100 0.040 0.000 1.063 563 Y CB 2.630 41.147 38.460 0.094 0.000 1.272 563 Y HN 0.724 nan 8.280 nan 0.000 0.477 564 G N 1.110 110.019 108.800 0.182 0.000 2.478 564 G HA2 0.539 4.499 3.960 0.000 0.000 0.317 564 G HA3 0.539 4.499 3.960 0.000 0.000 0.317 564 G C -2.222 172.540 174.900 -0.230 0.000 1.259 564 G CA -0.413 44.712 45.100 0.042 0.000 0.933 564 G HN 0.402 nan 8.290 nan 0.000 0.478 565 F N 3.194 122.575 119.950 -0.948 0.000 2.579 565 F HA 0.737 5.264 4.527 0.000 0.000 0.325 565 F C -1.582 173.621 175.800 -0.995 0.000 1.162 565 F CA -1.336 56.263 58.000 -0.668 0.000 0.946 565 F CB 1.243 40.067 39.000 -0.292 0.000 1.211 565 F HN 0.341 nan 8.300 nan 0.000 0.447 566 F N 5.466 125.246 119.950 -0.283 0.000 2.593 566 F HA 0.721 5.248 4.527 0.000 0.000 0.320 566 F C -1.001 174.703 175.800 -0.161 0.000 1.060 566 F CA -1.249 56.646 58.000 -0.176 0.000 0.940 566 F CB 1.769 40.662 39.000 -0.179 0.000 1.268 566 F HN 0.412 nan 8.300 nan 0.000 0.475 567 Y N -1.207 119.134 120.300 0.068 0.000 2.677 567 Y HA 0.713 5.263 4.550 0.000 0.000 0.334 567 Y C -1.467 174.498 175.900 0.109 0.000 1.196 567 Y CA -1.723 56.400 58.100 0.038 0.000 1.059 567 Y CB 1.085 39.561 38.460 0.026 0.000 1.315 567 Y HN 0.728 nan 8.280 nan 0.000 0.455 568 H N 0.008 119.176 119.070 0.164 0.000 2.928 568 H HA 0.865 5.421 4.556 0.000 0.000 0.371 568 H C -1.859 173.556 175.328 0.145 0.000 1.186 568 H CA -1.393 54.671 56.048 0.027 0.000 1.134 568 H CB 2.198 31.948 29.762 -0.020 0.000 1.824 568 H HN 0.787 nan 8.280 nan 0.000 0.554 569 I N 2.097 122.738 120.570 0.118 0.000 2.404 569 I HA 0.474 4.644 4.170 0.000 0.000 0.293 569 I C -0.057 176.238 176.117 0.297 0.000 0.992 569 I CA -0.755 60.689 61.300 0.241 0.000 1.149 569 I CB 1.635 39.764 38.000 0.215 0.000 1.315 569 I HN 0.507 nan 8.210 nan 0.000 0.446 570 R N 3.270 123.917 120.500 0.244 0.000 2.902 570 R HA 0.277 4.617 4.340 0.000 0.000 0.258 570 R C 0.484 176.844 176.300 0.099 0.000 1.071 570 R CA -0.774 55.432 56.100 0.176 0.000 1.024 570 R CB 1.292 31.664 30.300 0.120 0.000 1.184 570 R HN 0.673 nan 8.270 nan 0.000 0.492 571 D N 0.618 121.055 120.400 0.062 0.000 2.123 571 D HA -0.207 4.433 4.640 0.000 0.000 0.196 571 D C 0.562 176.832 176.300 -0.050 0.000 0.992 571 D CA 1.578 55.586 54.000 0.013 0.000 0.833 571 D CB -0.106 40.696 40.800 0.003 0.000 0.954 571 D HN 0.625 nan 8.370 nan 0.000 0.455 572 D N -0.286 120.071 120.400 -0.072 0.000 2.501 572 D HA 0.093 4.733 4.640 0.000 0.000 0.226 572 D C 0.428 176.600 176.300 -0.214 0.000 1.198 572 D CA -0.476 53.450 54.000 -0.123 0.000 0.830 572 D CB 0.235 40.982 40.800 -0.088 0.000 1.014 572 D HN 0.486 nan 8.370 nan 0.000 0.496 573 R N -2.007 118.336 120.500 -0.263 0.000 2.765 573 R HA 0.510 4.850 4.340 0.000 0.000 0.277 573 R C -1.942 174.207 176.300 -0.252 0.000 1.028 573 R CA -0.864 55.037 56.100 -0.333 0.000 0.860 573 R CB 0.150 30.348 30.300 -0.170 0.000 1.270 573 R HN -0.208 nan 8.270 nan 0.000 0.484 574 F N 0.577 120.495 119.950 -0.054 0.000 2.495 574 F HA 0.613 5.140 4.527 0.000 0.000 0.327 574 F C -0.223 175.575 175.800 -0.003 0.000 1.103 574 F CA -1.262 56.716 58.000 -0.036 0.000 0.949 574 F CB 2.493 41.453 39.000 -0.066 0.000 1.142 574 F HN 0.240 nan 8.300 nan 0.000 0.457 575 V N 4.145 124.103 119.914 0.073 0.000 2.448 575 V HA 0.725 4.846 4.120 0.000 0.000 0.295 575 V C -0.557 175.625 176.094 0.147 0.000 1.025 575 V CA -0.842 61.477 62.300 0.031 0.000 0.859 575 V CB 1.808 33.409 31.823 -0.371 0.000 0.988 575 V HN 0.626 nan 8.190 nan 0.000 0.431 576 V N 1.913 121.977 119.914 0.251 0.000 2.914 576 V HA 1.070 5.190 4.120 0.000 0.000 0.314 576 V C -0.314 175.758 176.094 -0.037 0.000 1.084 576 V CA -0.844 61.498 62.300 0.070 0.000 0.963 576 V CB 1.970 33.825 31.823 0.054 0.000 1.025 576 V HN 1.203 nan 8.190 nan 0.000 0.432 577 A N 2.255 124.910 122.820 -0.276 0.000 2.408 577 A HA 0.811 5.131 4.320 0.000 0.000 0.295 577 A C -0.799 176.550 177.584 -0.393 0.000 1.040 577 A CA -0.218 51.617 52.037 -0.337 0.000 0.707 577 A CB 1.347 20.028 19.000 -0.532 0.000 1.235 577 A HN 1.882 nan 8.150 nan 0.000 0.418 578 C N 2.869 122.001 119.300 -0.279 0.000 2.498 578 C HA 0.913 5.374 4.460 0.000 0.000 0.316 578 C C 0.203 175.169 174.990 -0.040 0.000 1.209 578 C CA 0.171 59.108 59.018 -0.135 0.000 1.518 578 C CB 0.892 28.625 27.740 -0.012 0.000 2.147 578 C HN 1.334 nan 8.230 nan 0.000 0.483 579 S N 3.754 119.471 115.700 0.028 0.000 2.566 579 S HA 0.954 5.424 4.470 0.000 0.000 0.298 579 S C -0.634 173.939 174.600 -0.044 0.000 1.083 579 S CA -0.205 57.971 58.200 -0.040 0.000 0.978 579 S CB 1.716 64.864 63.200 -0.086 0.000 1.073 579 S HN 1.777 nan 8.310 nan 0.000 0.491 580 S N 0.278 115.860 115.700 -0.197 0.000 2.587 580 S HA 0.618 5.088 4.470 0.000 0.000 0.269 580 S C -1.962 172.447 174.600 -0.318 0.000 1.154 580 S CA -1.156 56.876 58.200 -0.281 0.000 0.824 580 S CB 0.075 63.183 63.200 -0.154 0.000 1.118 580 S HN 0.835 nan 8.310 nan 0.000 0.462 581 W N 1.574 122.811 121.300 -0.105 0.000 2.335 581 W HA 0.535 5.195 4.660 0.000 0.000 0.307 581 W C 1.635 178.106 176.519 -0.081 0.000 1.117 581 W CA -0.891 56.414 57.345 -0.066 0.000 1.228 581 W CB 1.042 30.468 29.460 -0.057 0.000 1.240 581 W HN 0.705 nan 8.180 nan 0.000 0.468 582 R N 0.982 121.618 120.500 0.227 0.000 2.105 582 R HA -0.179 4.161 4.340 0.000 0.000 0.239 582 R C 2.246 178.610 176.300 0.107 0.000 1.135 582 R CA 1.766 57.939 56.100 0.121 0.000 0.967 582 R CB -0.461 29.902 30.300 0.105 0.000 0.861 582 R HN 0.574 nan 8.270 nan 0.000 0.442 583 S N -0.266 115.530 115.700 0.160 0.000 2.537 583 S HA -0.114 4.357 4.470 0.000 0.000 0.240 583 S C 0.972 175.648 174.600 0.126 0.000 0.981 583 S CA 0.354 58.644 58.200 0.151 0.000 0.948 583 S CB -0.439 62.873 63.200 0.187 0.000 0.759 583 S HN 0.376 nan 8.310 nan 0.000 0.531 584 C N 3.003 122.288 119.300 -0.025 0.000 2.239 584 C HA 0.610 5.070 4.460 0.000 0.000 0.323 584 C C -1.432 173.511 174.990 -0.079 0.000 1.205 584 C CA -2.173 56.731 59.018 -0.189 0.000 1.584 584 C CB 0.469 27.901 27.740 -0.513 0.000 2.201 584 C HN 0.272 nan 8.230 nan 0.000 0.475 585 P HA -0.178 nan 4.420 nan 0.000 0.216 585 P C 1.457 178.754 177.300 -0.005 0.000 1.150 585 P CA 1.331 64.428 63.100 -0.006 0.000 0.837 585 P CB 0.094 31.798 31.700 0.006 0.000 0.786 586 E N 0.086 120.272 120.200 -0.022 0.000 2.058 586 E HA -0.125 4.225 4.350 0.000 0.000 0.194 586 E C 0.334 176.977 176.600 0.071 0.000 0.997 586 E CA 1.335 57.742 56.400 0.012 0.000 0.801 586 E CB -0.427 29.243 29.700 -0.051 0.000 0.746 586 E HN 0.260 nan 8.360 nan 0.000 0.450 587 T N -0.870 113.634 114.554 -0.084 0.000 2.910 587 T HA 0.224 4.574 4.350 0.000 0.000 0.293 587 T C -0.206 174.518 174.700 0.040 0.000 1.015 587 T CA -0.678 61.338 62.100 -0.140 0.000 1.094 587 T CB 1.534 69.984 68.868 -0.697 0.000 0.968 587 T HN 0.040 nan 8.240 nan 0.000 0.521 588 D N 0.894 121.462 120.400 0.280 0.000 2.354 588 D HA 0.371 5.011 4.640 0.000 0.000 0.230 588 D C 0.905 177.393 176.300 0.313 0.000 1.361 588 D CA -0.422 53.705 54.000 0.211 0.000 0.992 588 D CB 1.370 42.237 40.800 0.112 0.000 1.409 588 D HN 0.638 nan 8.370 nan 0.000 0.573 589 A N 3.224 126.206 122.820 0.270 0.000 1.917 589 A HA -0.233 4.087 4.320 0.000 0.000 0.219 589 A C 1.832 179.436 177.584 0.033 0.000 1.182 589 A CA 1.883 54.036 52.037 0.193 0.000 0.633 589 A CB -0.194 18.870 19.000 0.106 0.000 0.819 589 A HN 0.552 nan 8.150 nan 0.000 0.448 590 E N 0.008 120.208 120.200 0.000 0.000 2.077 590 E HA -0.163 4.187 4.350 0.000 0.000 0.193 590 E C 1.988 178.523 176.600 -0.108 0.000 0.989 590 E CA 1.807 58.167 56.400 -0.066 0.000 0.800 590 E CB -0.156 29.514 29.700 -0.050 0.000 0.746 590 E HN 0.666 nan 8.360 nan 0.000 0.452 591 K N -0.398 119.959 120.400 -0.071 0.000 2.057 591 K HA -0.107 4.213 4.320 0.000 0.000 0.206 591 K C 2.086 178.579 176.600 -0.177 0.000 1.050 591 K CA 1.010 57.230 56.287 -0.112 0.000 0.935 591 K CB -0.219 32.234 32.500 -0.078 0.000 0.715 591 K HN 0.110 nan 8.250 nan 0.000 0.439 592 L N 1.136 122.252 121.223 -0.179 0.000 2.046 592 L HA -0.156 4.184 4.340 0.000 0.000 0.208 592 L C 2.015 178.720 176.870 -0.275 0.000 1.077 592 L CA 1.477 56.141 54.840 -0.294 0.000 0.747 592 L CB -0.311 41.447 42.059 -0.502 0.000 0.896 592 L HN -0.096 nan 8.230 nan 0.000 0.432 593 V N -0.506 119.271 119.914 -0.228 0.000 2.343 593 V HA -0.255 3.865 4.120 0.000 0.000 0.247 593 V C 1.662 177.397 176.094 -0.599 0.000 1.051 593 V CA 1.097 63.192 62.300 -0.342 0.000 1.036 593 V CB -0.628 30.979 31.823 -0.360 0.000 0.654 593 V HN 0.527 nan 8.190 nan 0.000 0.451 597 F N 1.474 121.073 119.950 -0.584 0.000 2.186 597 F HA -0.200 4.327 4.527 0.000 0.000 0.299 597 F C 2.180 177.946 175.800 -0.056 0.000 1.090 597 F CA 1.778 59.576 58.000 -0.336 0.000 1.307 597 F CB -0.297 38.696 39.000 -0.011 0.000 1.019 597 F HN 0.220 nan 8.300 nan 0.000 0.489 598 H N -0.686 118.463 119.070 0.132 0.000 2.389 598 H HA -0.100 4.456 4.556 0.000 0.000 0.299 598 H C 2.298 177.697 175.328 0.118 0.000 1.081 598 H CA 0.517 56.655 56.048 0.150 0.000 1.345 598 H CB 0.010 29.815 29.762 0.072 0.000 1.393 598 H HN 0.267 nan 8.280 nan 0.000 0.520 599 A N 1.035 123.898 122.820 0.073 0.000 1.902 599 A HA -0.165 4.155 4.320 0.000 0.000 0.217 599 A C 1.806 179.476 177.584 0.145 0.000 1.181 599 A CA 1.208 53.251 52.037 0.010 0.000 0.623 599 A CB -0.703 18.192 19.000 -0.175 0.000 0.818 599 A HN 0.241 nan 8.150 nan 0.000 0.443 600 F N -0.176 119.817 119.950 0.073 0.000 2.091 600 F HA -0.191 4.337 4.527 0.000 0.000 0.299 600 F C 2.279 178.359 175.800 0.468 0.000 1.103 600 F CA 1.532 59.636 58.000 0.173 0.000 1.228 600 F CB -1.437 37.361 39.000 -0.337 0.000 0.984 600 F HN 0.549 nan 8.300 nan 0.000 0.477 601 H N -0.052 119.345 119.070 0.545 0.000 2.321 601 H HA -0.075 4.481 4.556 0.000 0.000 0.300 601 H C 0.789 176.336 175.328 0.364 0.000 1.087 601 H CA 1.431 57.783 56.048 0.506 0.000 1.319 601 H CB -0.547 29.470 29.762 0.425 0.000 1.379 601 H HN 0.008 nan 8.280 nan 0.000 0.501 605 Q N 1.402 121.179 119.800 -0.039 0.000 2.135 605 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 605 Q C 1.194 177.186 176.000 -0.013 0.000 0.981 605 Q CA 1.452 57.206 55.803 -0.081 0.000 0.856 605 Q CB 0.200 28.795 28.738 -0.239 0.000 0.902 605 Q HN 0.352 nan 8.270 nan 0.000 0.425 609 T N 1.667 116.220 114.554 -0.001 0.000 2.833 609 T HA 0.107 4.457 4.350 0.000 0.000 0.269 609 T C 1.114 175.814 174.700 -0.000 0.000 1.054 609 T CA 1.458 63.560 62.100 0.003 0.000 1.135 609 T CB -0.104 68.769 68.868 0.009 0.000 0.869 609 T HN 0.429 nan 8.240 nan 0.000 0.466 610 A N 0.000 122.818 122.820 -0.003 0.000 2.254 610 A HA 0.000 4.320 4.320 0.000 0.000 0.244 610 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 610 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 610 A HN 0.000 nan 8.150 nan 0.000 0.486