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 1y1u_1_C DATA FIRST_RESID 138 DATA SEQUENCE SQKHLQINQR FEELRLITQD TENELKKLQQ TQEYFIIQYQ ESLRIQAQFA DATA SEQUENCE QLGQLNPQER MSRETALQQK QVSLETWLQR EAQTLQQYRV ELAEKHQKTL DATA SEQUENCE QLLRKQQTII LDDELIQWKR RQQLAGNGGP PEGSLDVLQS WCEKLAEIIW DATA SEQUENCE QNRQQIRRAE HLCQQLPIPG PVEEMLAEVN ATITDIISAL VTSTFIIEKQ DATA SEQUENCE PPQVLKTQTK FAATVRLLVG GKLNVHMNPP QVKATIISEQ QAKSLLKNEN DATA SEQUENCE TRNECSGEIL NNCCVMEYHQ ATGTLSAHFR NMSLKRXXXX XXXXXESVTE DATA SEQUENCE EKFTVLFESQ FSVGSNELVF QVKTLSLPVV VIVHGSQDHN ATATVLWDNA DATA SEQUENCE FAEPGRVPFA VPDKVLWPQL CEALNMKFKA EVQSNRGLTK ENLVFLAQKL DATA SEQUENCE FNISSNHLED YNSMSVSWSQ FNRENLPGWN YTFWQWFDGV MEVLKKHHKP DATA SEQUENCE HWNDGAILGF VNKQQAHDLL INKPDGTFLL RFSDSEIGGI TIAWKFDSPD DATA SEQUENCE RNLWNLKPFT TRDFSIRSLA DRLGDLNYLI YVFPDRPKDE VFAKYYTPVL DATA SEQUENCE AKA 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 138 S HA 0.000 nan 4.470 nan 0.000 0.327 138 S C 0.000 174.663 174.600 0.105 0.000 1.055 138 S CA 0.000 58.237 58.200 0.062 0.000 1.107 138 S CB 0.000 63.222 63.200 0.037 0.000 0.593 139 Q N 3.160 123.032 119.800 0.120 0.000 2.499 139 Q HA 0.434 4.774 4.340 -0.001 0.000 0.213 139 Q C 1.099 177.163 176.000 0.108 0.000 0.929 139 Q CA 1.107 56.968 55.803 0.098 0.000 0.904 139 Q CB -0.162 28.617 28.738 0.067 0.000 1.052 139 Q HN 0.491 nan 8.270 nan 0.000 0.589 140 K N -0.466 120.019 120.400 0.142 0.000 2.296 140 K HA 0.038 4.358 4.320 -0.001 0.000 0.200 140 K C 1.679 178.293 176.600 0.023 0.000 1.048 140 K CA 1.136 57.466 56.287 0.073 0.000 0.966 140 K CB -0.203 32.339 32.500 0.071 0.000 0.754 140 K HN 0.368 nan 8.250 nan 0.000 0.466 141 H N -0.322 118.787 119.070 0.065 0.000 2.294 141 H HA 0.110 4.666 4.556 -0.000 0.000 0.306 141 H C 0.962 176.345 175.328 0.091 0.000 1.065 141 H CA 0.787 56.910 56.048 0.126 0.000 1.343 141 H CB -0.060 29.891 29.762 0.315 0.000 1.396 141 H HN -0.098 nan 8.280 nan 0.000 0.506 142 L N 1.701 123.070 121.223 0.243 0.000 2.834 142 L HA -0.096 4.244 4.340 -0.001 0.000 0.252 142 L C 1.618 178.529 176.870 0.068 0.000 1.152 142 L CA 1.125 56.061 54.840 0.159 0.000 0.898 142 L CB -0.918 41.224 42.059 0.138 0.000 1.078 142 L HN 0.476 nan 8.230 nan 0.000 0.439 143 Q N 0.214 120.020 119.800 0.010 0.000 2.304 143 Q HA -0.014 4.326 4.340 -0.001 0.000 0.204 143 Q C 2.244 178.165 176.000 -0.132 0.000 0.936 143 Q CA 0.345 56.116 55.803 -0.053 0.000 0.878 143 Q CB 0.344 29.040 28.738 -0.070 0.000 0.983 143 Q HN 0.615 nan 8.270 nan 0.000 0.516 144 I N -1.573 118.852 120.570 -0.242 0.000 2.676 144 I HA -0.073 4.096 4.170 -0.001 0.000 0.259 144 I C 1.017 176.991 176.117 -0.238 0.000 1.194 144 I CA 0.773 61.810 61.300 -0.438 0.000 1.473 144 I CB -0.458 37.068 38.000 -0.790 0.000 1.096 144 I HN 0.086 nan 8.210 nan 0.000 0.443 145 N N 1.710 120.407 118.700 -0.005 0.000 2.364 145 N HA -0.166 4.573 4.740 -0.001 0.000 0.183 145 N C 1.762 177.368 175.510 0.159 0.000 1.022 145 N CA 1.266 54.446 53.050 0.218 0.000 0.883 145 N CB -0.106 38.526 38.487 0.243 0.000 0.965 145 N HN 0.662 nan 8.380 nan 0.000 0.438 146 Q N 0.300 120.132 119.800 0.053 0.000 2.084 146 Q HA 0.140 4.480 4.340 -0.001 0.000 0.194 146 Q C 1.989 177.989 176.000 0.001 0.000 0.969 146 Q CA 0.338 56.160 55.803 0.033 0.000 0.829 146 Q CB -0.013 28.726 28.738 0.002 0.000 0.904 146 Q HN 0.130 nan 8.270 nan 0.000 0.464 147 R N -0.109 120.331 120.500 -0.099 0.000 2.185 147 R HA -0.183 4.157 4.340 -0.001 0.000 0.247 147 R C 1.780 177.982 176.300 -0.165 0.000 1.159 147 R CA 1.312 57.308 56.100 -0.174 0.000 0.988 147 R CB -0.119 30.000 30.300 -0.302 0.000 0.871 147 R HN 0.233 nan 8.270 nan 0.000 0.458 148 F N 0.156 120.071 119.950 -0.057 0.000 2.098 148 F HA -0.149 4.377 4.527 -0.001 0.000 0.294 148 F C 2.390 178.192 175.800 0.003 0.000 1.107 148 F CA 1.326 59.312 58.000 -0.023 0.000 1.234 148 F CB -0.018 38.980 39.000 -0.003 0.000 1.002 148 F HN 0.163 nan 8.300 nan 0.000 0.472 149 E N -0.181 120.143 120.200 0.208 0.000 2.427 149 E HA -0.112 4.237 4.350 -0.001 0.000 0.196 149 E C 1.558 178.206 176.600 0.081 0.000 1.028 149 E CA 0.640 57.116 56.400 0.127 0.000 0.864 149 E CB -0.254 29.505 29.700 0.099 0.000 0.813 149 E HN 0.372 nan 8.360 nan 0.000 0.514 150 E N 1.402 121.638 120.200 0.061 0.000 2.008 150 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 150 E C 2.252 178.880 176.600 0.046 0.000 0.986 150 E CA 0.800 57.221 56.400 0.034 0.000 0.807 150 E CB -0.327 29.376 29.700 0.005 0.000 0.766 150 E HN 0.348 nan 8.360 nan 0.000 0.450 151 L N 0.710 121.966 121.223 0.056 0.000 2.064 151 L HA -0.302 4.037 4.340 -0.001 0.000 0.216 151 L C 2.807 179.735 176.870 0.096 0.000 1.077 151 L CA 1.579 56.466 54.840 0.079 0.000 0.766 151 L CB -0.420 41.707 42.059 0.114 0.000 0.890 151 L HN 0.093 nan 8.230 nan 0.000 0.435 152 R N 0.445 121.010 120.500 0.109 0.000 2.070 152 R HA -0.205 4.135 4.340 -0.001 0.000 0.232 152 R C 2.257 178.595 176.300 0.063 0.000 1.138 152 R CA 1.978 58.131 56.100 0.088 0.000 0.936 152 R CB -0.372 29.977 30.300 0.083 0.000 0.839 152 R HN 0.384 nan 8.270 nan 0.000 0.429 153 L N -0.817 120.437 121.223 0.051 0.000 2.072 153 L HA 0.100 4.440 4.340 -0.001 0.000 0.205 153 L C 2.241 179.127 176.870 0.027 0.000 1.079 153 L CA 1.389 56.250 54.840 0.035 0.000 0.752 153 L CB -1.100 40.975 42.059 0.027 0.000 0.906 153 L HN 0.191 nan 8.230 nan 0.000 0.436 154 I N 0.867 121.453 120.570 0.028 0.000 2.118 154 I HA -0.302 3.868 4.170 -0.001 0.000 0.241 154 I C 2.264 178.401 176.117 0.034 0.000 1.070 154 I CA 2.354 63.666 61.300 0.020 0.000 1.327 154 I CB -0.715 37.294 38.000 0.016 0.000 1.034 154 I HN 0.396 nan 8.210 nan 0.000 0.405 155 T N 0.004 114.592 114.554 0.057 0.000 2.759 155 T HA -0.261 4.089 4.350 -0.001 0.000 0.269 155 T C 1.768 176.503 174.700 0.059 0.000 1.042 155 T CA 1.759 63.904 62.100 0.075 0.000 1.140 155 T CB -0.375 68.545 68.868 0.086 0.000 0.864 155 T HN 0.401 nan 8.240 nan 0.000 0.455 156 Q N 1.531 121.358 119.800 0.045 0.000 2.436 156 Q HA -0.078 4.262 4.340 -0.001 0.000 0.209 156 Q C 1.508 177.520 176.000 0.020 0.000 0.965 156 Q CA 1.509 57.333 55.803 0.035 0.000 0.910 156 Q CB -0.236 28.522 28.738 0.032 0.000 0.980 156 Q HN 0.784 nan 8.270 nan 0.000 0.491 157 D N -3.010 117.396 120.400 0.010 0.000 2.380 157 D HA -0.056 4.583 4.640 -0.001 0.000 0.212 157 D C 1.513 177.798 176.300 -0.026 0.000 1.021 157 D CA 1.034 55.028 54.000 -0.011 0.000 0.884 157 D CB -0.569 40.218 40.800 -0.022 0.000 1.001 157 D HN 0.195 nan 8.370 nan 0.000 0.506 158 T N -0.621 113.920 114.554 -0.021 0.000 2.720 158 T HA -0.271 4.079 4.350 -0.001 0.000 0.268 158 T C 1.681 176.376 174.700 -0.008 0.000 1.037 158 T CA 1.633 63.697 62.100 -0.059 0.000 1.144 158 T CB -0.538 68.263 68.868 -0.111 0.000 0.864 158 T HN 0.304 nan 8.240 nan 0.000 0.444 159 E N 1.740 121.963 120.200 0.039 0.000 2.482 159 E HA -0.029 4.321 4.350 -0.001 0.000 0.196 159 E C 1.470 178.078 176.600 0.014 0.000 1.047 159 E CA 0.474 56.897 56.400 0.039 0.000 0.869 159 E CB -0.707 29.021 29.700 0.048 0.000 0.836 159 E HN 0.416 nan 8.360 nan 0.000 0.520 160 N N 1.111 119.809 118.700 -0.003 0.000 2.250 160 N HA -0.071 4.668 4.740 -0.001 0.000 0.181 160 N C 1.433 176.924 175.510 -0.032 0.000 1.017 160 N CA 1.060 54.102 53.050 -0.013 0.000 0.866 160 N CB -0.020 38.456 38.487 -0.018 0.000 0.985 160 N HN 0.231 nan 8.380 nan 0.000 0.429 161 E N 1.179 121.345 120.200 -0.057 0.000 2.017 161 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 161 E C 1.958 178.538 176.600 -0.034 0.000 0.997 161 E CA 0.420 56.770 56.400 -0.084 0.000 0.804 161 E CB -0.328 29.297 29.700 -0.125 0.000 0.757 161 E HN 0.117 nan 8.360 nan 0.000 0.448 162 L N 1.319 122.536 121.223 -0.010 0.000 2.021 162 L HA -0.293 4.046 4.340 -0.001 0.000 0.215 162 L C 2.410 179.302 176.870 0.037 0.000 1.074 162 L CA 1.891 56.748 54.840 0.028 0.000 0.760 162 L CB -0.691 41.400 42.059 0.054 0.000 0.889 162 L HN 0.250 nan 8.230 nan 0.000 0.433 163 K N 1.401 121.817 120.400 0.028 0.000 2.009 163 K HA -0.240 4.080 4.320 -0.001 0.000 0.210 163 K C 2.016 178.644 176.600 0.046 0.000 1.049 163 K CA 2.265 58.572 56.287 0.033 0.000 0.929 163 K CB -0.282 32.232 32.500 0.024 0.000 0.714 163 K HN 0.549 nan 8.250 nan 0.000 0.440 164 K N 0.869 121.292 120.400 0.037 0.000 2.062 164 K HA -0.060 4.260 4.320 -0.001 0.000 0.205 164 K C 2.300 178.965 176.600 0.108 0.000 1.051 164 K CA 0.857 57.181 56.287 0.061 0.000 0.941 164 K CB -0.605 31.917 32.500 0.037 0.000 0.719 164 K HN 0.139 nan 8.250 nan 0.000 0.440 165 L N 1.264 122.545 121.223 0.098 0.000 2.447 165 L HA -0.141 4.199 4.340 -0.001 0.000 0.225 165 L C 2.128 179.078 176.870 0.133 0.000 1.148 165 L CA 1.615 56.550 54.840 0.160 0.000 0.808 165 L CB -0.284 41.850 42.059 0.126 0.000 0.928 165 L HN 0.569 nan 8.230 nan 0.000 0.448 166 Q N -0.878 118.987 119.800 0.109 0.000 2.392 166 Q HA -0.097 4.243 4.340 -0.001 0.000 0.219 166 Q C 1.813 177.887 176.000 0.124 0.000 0.895 166 Q CA 0.274 56.140 55.803 0.106 0.000 0.929 166 Q CB 0.429 29.216 28.738 0.081 0.000 1.077 166 Q HN 0.608 nan 8.270 nan 0.000 0.532 167 Q N -0.325 119.550 119.800 0.126 0.000 2.046 167 Q HA -0.104 4.236 4.340 -0.001 0.000 0.200 167 Q C 1.950 178.081 176.000 0.218 0.000 0.975 167 Q CA 2.106 57.995 55.803 0.143 0.000 0.836 167 Q CB -0.028 28.776 28.738 0.111 0.000 0.896 167 Q HN 0.312 nan 8.270 nan 0.000 0.428 168 T N 1.119 115.812 114.554 0.231 0.000 2.505 168 T HA -0.300 4.050 4.350 -0.001 0.000 0.259 168 T C 1.752 176.627 174.700 0.292 0.000 1.158 168 T CA 1.588 63.858 62.100 0.283 0.000 1.190 168 T CB -0.487 68.512 68.868 0.218 0.000 0.864 168 T HN 0.315 nan 8.240 nan 0.000 0.413 169 Q N 0.167 120.083 119.800 0.194 0.000 2.082 169 Q HA -0.261 4.079 4.340 -0.001 0.000 0.211 169 Q C 2.500 178.651 176.000 0.252 0.000 1.002 169 Q CA 2.074 57.986 55.803 0.181 0.000 0.868 169 Q CB -0.297 28.510 28.738 0.116 0.000 0.931 169 Q HN 0.472 nan 8.270 nan 0.000 0.414 170 E N -0.363 119.969 120.200 0.221 0.000 2.118 170 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 170 E C 1.570 178.332 176.600 0.270 0.000 0.992 170 E CA 1.348 57.870 56.400 0.204 0.000 0.804 170 E CB -0.296 29.501 29.700 0.163 0.000 0.741 170 E HN 0.503 nan 8.360 nan 0.000 0.458 171 Y N -1.083 119.321 120.300 0.173 0.000 2.153 171 Y HA -0.175 4.374 4.550 -0.001 0.000 0.289 171 Y C 2.050 178.085 175.900 0.224 0.000 1.119 171 Y CA 1.228 59.429 58.100 0.170 0.000 1.116 171 Y CB -0.368 38.202 38.460 0.184 0.000 1.004 171 Y HN 0.143 nan 8.280 nan 0.000 0.501 172 F N 1.006 120.975 119.950 0.031 0.000 2.141 172 F HA -0.353 4.174 4.527 -0.001 0.000 0.300 172 F C 1.909 177.735 175.800 0.043 0.000 1.079 172 F CA 1.960 59.954 58.000 -0.011 0.000 1.264 172 F CB -0.457 38.593 39.000 0.085 0.000 1.011 172 F HN 0.109 nan 8.300 nan 0.000 0.487 173 I N -0.425 120.316 120.570 0.285 0.000 2.315 173 I HA -0.250 3.920 4.170 -0.001 0.000 0.248 173 I C 2.180 178.306 176.117 0.015 0.000 1.117 173 I CA 1.018 62.413 61.300 0.159 0.000 1.404 173 I CB -0.345 37.733 38.000 0.130 0.000 1.071 173 I HN 0.201 nan 8.210 nan 0.000 0.419 174 I N 0.294 120.872 120.570 0.012 0.000 3.001 174 I HA -0.194 3.976 4.170 -0.001 0.000 0.268 174 I C 2.287 178.346 176.117 -0.098 0.000 1.267 174 I CA 1.303 62.596 61.300 -0.011 0.000 1.472 174 I CB -0.451 37.584 38.000 0.059 0.000 1.089 174 I HN 0.201 nan 8.210 nan 0.000 0.468 175 Q N -0.470 119.189 119.800 -0.234 0.000 2.008 175 Q HA -0.215 4.125 4.340 -0.001 0.000 0.196 175 Q C 2.172 178.041 176.000 -0.219 0.000 0.973 175 Q CA 1.813 57.426 55.803 -0.318 0.000 0.826 175 Q CB -0.933 27.492 28.738 -0.522 0.000 0.894 175 Q HN 0.588 nan 8.270 nan 0.000 0.439 176 Y N 1.710 121.742 120.300 -0.448 0.000 2.181 176 Y HA -0.400 4.149 4.550 -0.001 0.000 0.279 176 Y C 2.284 178.085 175.900 -0.165 0.000 1.228 176 Y CA 2.066 59.984 58.100 -0.302 0.000 1.164 176 Y CB 0.264 38.590 38.460 -0.224 0.000 0.959 176 Y HN 0.276 nan 8.280 nan 0.000 0.521 177 Q N -1.247 118.596 119.800 0.071 0.000 2.200 177 Q HA -0.135 4.205 4.340 -0.001 0.000 0.197 177 Q C 2.087 178.078 176.000 -0.016 0.000 0.953 177 Q CA 0.929 56.749 55.803 0.029 0.000 0.851 177 Q CB -0.059 28.673 28.738 -0.011 0.000 0.938 177 Q HN 0.266 nan 8.270 nan 0.000 0.488 178 E N 0.488 120.656 120.200 -0.054 0.000 2.171 178 E HA -0.205 4.144 4.350 -0.001 0.000 0.197 178 E C 1.818 178.371 176.600 -0.077 0.000 0.997 178 E CA 1.518 57.875 56.400 -0.073 0.000 0.810 178 E CB -0.257 29.382 29.700 -0.102 0.000 0.738 178 E HN 0.168 nan 8.360 nan 0.000 0.467 179 S N -1.085 114.571 115.700 -0.074 0.000 2.335 179 S HA -0.060 4.410 4.470 -0.001 0.000 0.217 179 S C 1.829 176.405 174.600 -0.041 0.000 1.032 179 S CA 1.013 59.171 58.200 -0.069 0.000 0.985 179 S CB -0.378 62.770 63.200 -0.086 0.000 0.896 179 S HN 0.333 nan 8.310 nan 0.000 0.445 180 L N 1.293 122.514 121.223 -0.003 0.000 2.129 180 L HA -0.074 4.266 4.340 -0.001 0.000 0.212 180 L C 2.644 179.503 176.870 -0.018 0.000 1.087 180 L CA 1.378 56.227 54.840 0.015 0.000 0.757 180 L CB -0.387 41.706 42.059 0.057 0.000 0.896 180 L HN 0.214 nan 8.230 nan 0.000 0.434 181 R N 0.597 121.075 120.500 -0.036 0.000 2.075 181 R HA -0.102 4.238 4.340 -0.001 0.000 0.230 181 R C 1.815 178.056 176.300 -0.098 0.000 1.140 181 R CA 1.757 57.823 56.100 -0.056 0.000 0.928 181 R CB -0.624 29.642 30.300 -0.056 0.000 0.834 181 R HN 0.482 nan 8.270 nan 0.000 0.429 182 I N -0.789 119.705 120.570 -0.126 0.000 3.535 182 I HA 0.001 4.170 4.170 -0.001 0.000 0.307 182 I C 0.766 176.688 176.117 -0.325 0.000 1.200 182 I CA 0.622 61.795 61.300 -0.212 0.000 1.193 182 I CB 0.172 38.060 38.000 -0.186 0.000 1.003 182 I HN 0.202 nan 8.210 nan 0.000 0.505 183 Q N 1.473 121.145 119.800 -0.213 0.000 2.620 183 Q HA 0.300 4.640 4.340 -0.001 0.000 0.232 183 Q C 2.103 178.079 176.000 -0.039 0.000 0.836 183 Q CA 1.060 56.793 55.803 -0.117 0.000 0.938 183 Q CB 0.459 29.205 28.738 0.014 0.000 1.242 183 Q HN 0.617 nan 8.270 nan 0.000 0.624 184 A N 1.217 124.019 122.820 -0.030 0.000 2.255 184 A HA -0.076 4.244 4.320 -0.001 0.000 0.206 184 A C 1.621 179.182 177.584 -0.038 0.000 1.193 184 A CA 0.624 52.661 52.037 -0.000 0.000 0.794 184 A CB -0.096 18.905 19.000 0.001 0.000 0.794 184 A HN 0.185 nan 8.150 nan 0.000 0.481 185 Q N -1.352 118.364 119.800 -0.140 0.000 2.389 185 Q HA 0.054 4.394 4.340 -0.001 0.000 0.204 185 Q C 1.123 177.030 176.000 -0.155 0.000 0.944 185 Q CA 0.783 56.476 55.803 -0.183 0.000 0.908 185 Q CB -0.197 28.373 28.738 -0.282 0.000 1.002 185 Q HN 0.867 nan 8.270 nan 0.000 0.493 186 F N 0.049 119.996 119.950 -0.006 0.000 2.187 186 F HA -0.027 4.500 4.527 -0.001 0.000 0.295 186 F C 2.237 178.034 175.800 -0.004 0.000 1.091 186 F CA 0.546 58.543 58.000 -0.005 0.000 1.308 186 F CB -0.045 38.952 39.000 -0.006 0.000 1.030 186 F HN 0.017 nan 8.300 nan 0.000 0.487 187 A N -0.735 122.197 122.820 0.188 0.000 2.216 187 A HA -0.147 4.173 4.320 -0.001 0.000 0.214 187 A C 1.736 179.359 177.584 0.065 0.000 1.160 187 A CA 1.142 53.240 52.037 0.102 0.000 0.725 187 A CB -0.481 18.563 19.000 0.074 0.000 0.784 187 A HN 0.488 nan 8.150 nan 0.000 0.472 188 Q N -0.946 118.887 119.800 0.054 0.000 2.194 188 Q HA 0.171 4.511 4.340 -0.001 0.000 0.214 188 Q C 0.931 176.948 176.000 0.029 0.000 0.838 188 Q CA -0.172 55.647 55.803 0.028 0.000 0.972 188 Q CB 0.287 29.028 28.738 0.004 0.000 1.131 188 Q HN 0.723 nan 8.270 nan 0.000 0.498 189 L N -3.270 117.987 121.223 0.056 0.000 2.622 189 L HA 0.237 4.577 4.340 -0.001 0.000 0.233 189 L C 1.717 178.612 176.870 0.041 0.000 1.156 189 L CA 1.075 55.948 54.840 0.055 0.000 0.866 189 L CB -0.890 41.227 42.059 0.097 0.000 0.980 189 L HN -0.027 nan 8.230 nan 0.000 0.448 190 G N -0.416 108.406 108.800 0.036 0.000 2.501 190 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.220 190 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.220 190 G C 0.749 175.659 174.900 0.018 0.000 1.114 190 G CA 0.196 45.311 45.100 0.025 0.000 0.757 190 G HN 0.575 nan 8.290 nan 0.000 0.559 191 Q N -0.203 119.606 119.800 0.016 0.000 2.441 191 Q HA 0.598 4.938 4.340 -0.001 0.000 0.234 191 Q C -0.887 175.121 176.000 0.013 0.000 1.078 191 Q CA -0.056 55.754 55.803 0.011 0.000 0.907 191 Q CB 1.214 29.956 28.738 0.007 0.000 1.269 191 Q HN 0.224 nan 8.270 nan 0.000 0.502 192 L N 3.839 125.070 121.223 0.013 0.000 2.485 192 L HA 0.304 4.644 4.340 -0.001 0.000 0.260 192 L C -0.418 176.459 176.870 0.011 0.000 0.998 192 L CA -0.759 54.090 54.840 0.015 0.000 0.883 192 L CB 0.795 42.865 42.059 0.019 0.000 1.196 192 L HN 0.650 nan 8.230 nan 0.000 0.443 193 N N 4.592 123.298 118.700 0.010 0.000 2.251 193 N HA 0.295 5.035 4.740 -0.001 0.000 0.262 193 N C -2.228 173.287 175.510 0.008 0.000 1.276 193 N CA -0.647 52.407 53.050 0.008 0.000 0.897 193 N CB -0.692 37.799 38.487 0.006 0.000 1.005 193 N HN 0.183 nan 8.380 nan 0.000 0.464 194 P HA 0.080 nan 4.420 nan 0.000 0.200 194 P C 0.943 178.248 177.300 0.008 0.000 1.204 194 P CA 1.075 64.179 63.100 0.007 0.000 0.886 194 P CB -0.095 31.608 31.700 0.005 0.000 0.718 195 Q N -0.165 119.640 119.800 0.007 0.000 2.167 195 Q HA -0.145 4.195 4.340 -0.001 0.000 0.202 195 Q C 1.950 177.956 176.000 0.011 0.000 0.970 195 Q CA 1.491 57.299 55.803 0.008 0.000 0.855 195 Q CB -0.584 28.158 28.738 0.006 0.000 0.911 195 Q HN 0.354 nan 8.270 nan 0.000 0.438 196 E N 0.155 120.361 120.200 0.010 0.000 2.230 196 E HA -0.008 4.341 4.350 -0.001 0.000 0.192 196 E C 1.127 177.737 176.600 0.016 0.000 0.987 196 E CA 0.608 57.014 56.400 0.011 0.000 0.841 196 E CB 0.215 29.920 29.700 0.008 0.000 0.783 196 E HN 0.141 nan 8.360 nan 0.000 0.481 197 R N -0.505 120.006 120.500 0.018 0.000 2.432 197 R HA 0.270 4.609 4.340 -0.001 0.000 0.260 197 R C 1.257 177.578 176.300 0.034 0.000 0.935 197 R CA -0.120 55.996 56.100 0.027 0.000 1.080 197 R CB 0.287 30.601 30.300 0.023 0.000 1.155 197 R HN 0.111 nan 8.270 nan 0.000 0.531 198 M N -0.085 119.531 119.600 0.027 0.000 2.115 198 M HA -0.036 4.443 4.480 -0.001 0.000 0.261 198 M C 1.918 178.239 176.300 0.035 0.000 1.079 198 M CA 1.634 56.951 55.300 0.027 0.000 1.143 198 M CB -0.611 31.999 32.600 0.016 0.000 1.332 198 M HN 0.011 nan 8.290 nan 0.000 0.421 199 S N -0.251 115.465 115.700 0.027 0.000 2.786 199 S HA 0.081 4.551 4.470 -0.001 0.000 0.223 199 S C 1.366 175.986 174.600 0.032 0.000 0.956 199 S CA 0.190 58.406 58.200 0.027 0.000 0.961 199 S CB -0.322 62.888 63.200 0.018 0.000 0.784 199 S HN 0.410 nan 8.310 nan 0.000 0.519 200 R N -0.123 120.403 120.500 0.043 0.000 2.509 200 R HA 0.264 4.604 4.340 -0.001 0.000 0.297 200 R C 1.299 177.653 176.300 0.090 0.000 0.951 200 R CA 0.057 56.184 56.100 0.045 0.000 1.103 200 R CB 0.209 30.523 30.300 0.022 0.000 1.283 200 R HN 0.490 nan 8.270 nan 0.000 0.534 201 E N 0.130 120.408 120.200 0.131 0.000 2.160 201 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 201 E C 1.428 178.165 176.600 0.229 0.000 0.991 201 E CA 1.512 58.060 56.400 0.248 0.000 0.810 201 E CB 0.080 29.859 29.700 0.132 0.000 0.742 201 E HN 0.088 nan 8.360 nan 0.000 0.466 202 T N 0.142 114.765 114.554 0.116 0.000 2.612 202 T HA -0.116 4.234 4.350 -0.001 0.000 0.259 202 T C 1.922 176.669 174.700 0.078 0.000 1.065 202 T CA 1.437 63.586 62.100 0.081 0.000 1.167 202 T CB -0.218 68.678 68.868 0.046 0.000 0.863 202 T HN 0.253 nan 8.240 nan 0.000 0.407 203 A N 0.629 123.480 122.820 0.051 0.000 2.076 203 A HA 0.022 4.342 4.320 -0.001 0.000 0.220 203 A C 2.281 179.876 177.584 0.019 0.000 1.160 203 A CA 1.206 53.259 52.037 0.026 0.000 0.653 203 A CB -0.735 18.269 19.000 0.007 0.000 0.801 203 A HN 0.561 nan 8.150 nan 0.000 0.455 204 L N -1.556 119.689 121.223 0.037 0.000 2.007 204 L HA -0.202 4.138 4.340 -0.001 0.000 0.205 204 L C 2.876 179.816 176.870 0.117 0.000 1.073 204 L CA 1.568 56.389 54.840 -0.030 0.000 0.744 204 L CB -0.618 41.313 42.059 -0.214 0.000 0.898 204 L HN 0.410 nan 8.230 nan 0.000 0.435 205 Q N -0.428 119.569 119.800 0.329 0.000 2.135 205 Q HA -0.282 4.058 4.340 -0.001 0.000 0.204 205 Q C 2.235 178.313 176.000 0.129 0.000 0.981 205 Q CA 1.689 57.667 55.803 0.292 0.000 0.856 205 Q CB -0.053 28.794 28.738 0.181 0.000 0.902 205 Q HN 0.505 nan 8.270 nan 0.000 0.425 206 Q N 0.139 119.990 119.800 0.085 0.000 2.119 206 Q HA -0.131 4.208 4.340 -0.001 0.000 0.201 206 Q C 1.679 177.697 176.000 0.030 0.000 0.972 206 Q CA 1.019 56.850 55.803 0.047 0.000 0.847 206 Q CB 0.089 28.848 28.738 0.034 0.000 0.903 206 Q HN 0.202 nan 8.270 nan 0.000 0.433 207 K N 0.151 120.560 120.400 0.016 0.000 2.288 207 K HA -0.115 4.205 4.320 -0.001 0.000 0.201 207 K C 1.924 178.517 176.600 -0.011 0.000 1.048 207 K CA 0.716 56.995 56.287 -0.012 0.000 0.956 207 K CB 0.168 32.642 32.500 -0.042 0.000 0.746 207 K HN 0.194 nan 8.250 nan 0.000 0.461 208 Q N -0.040 119.771 119.800 0.019 0.000 2.089 208 Q HA -0.057 4.282 4.340 -0.001 0.000 0.195 208 Q C 2.031 178.049 176.000 0.030 0.000 0.963 208 Q CA 0.786 56.605 55.803 0.026 0.000 0.834 208 Q CB 0.239 29.026 28.738 0.082 0.000 0.906 208 Q HN 0.044 nan 8.270 nan 0.000 0.452 209 V N 1.121 121.060 119.914 0.041 0.000 2.324 209 V HA -0.320 3.800 4.120 -0.001 0.000 0.250 209 V C 2.363 178.479 176.094 0.037 0.000 1.060 209 V CA 2.216 64.537 62.300 0.036 0.000 1.042 209 V CB -0.700 31.144 31.823 0.035 0.000 0.650 209 V HN 0.515 nan 8.190 nan 0.000 0.450 210 S N -0.703 115.018 115.700 0.035 0.000 2.371 210 S HA -0.097 4.372 4.470 -0.001 0.000 0.224 210 S C 1.992 176.630 174.600 0.063 0.000 1.029 210 S CA 1.201 59.430 58.200 0.048 0.000 0.978 210 S CB -0.503 62.716 63.200 0.032 0.000 0.833 210 S HN 0.464 nan 8.310 nan 0.000 0.466 211 L N 1.331 122.567 121.223 0.022 0.000 1.961 211 L HA -0.114 4.226 4.340 -0.001 0.000 0.210 211 L C 2.967 179.863 176.870 0.043 0.000 1.072 211 L CA 2.057 56.901 54.840 0.006 0.000 0.749 211 L CB -0.733 41.293 42.059 -0.055 0.000 0.889 211 L HN 0.366 nan 8.230 nan 0.000 0.432 212 E N -0.904 119.303 120.200 0.012 0.000 2.233 212 E HA -0.227 4.123 4.350 -0.001 0.000 0.199 212 E C 1.920 178.541 176.600 0.035 0.000 1.004 212 E CA 1.750 58.152 56.400 0.003 0.000 0.819 212 E CB -0.016 29.682 29.700 -0.004 0.000 0.738 212 E HN 0.464 nan 8.360 nan 0.000 0.478 213 T N 0.041 114.634 114.554 0.064 0.000 2.698 213 T HA -0.164 4.186 4.350 -0.001 0.000 0.260 213 T C 1.196 175.961 174.700 0.108 0.000 1.044 213 T CA 0.961 63.104 62.100 0.071 0.000 1.149 213 T CB -0.350 68.561 68.868 0.072 0.000 0.864 213 T HN 0.428 nan 8.240 nan 0.000 0.419 214 W N 1.920 123.204 121.300 -0.026 0.000 2.318 214 W HA -0.170 4.490 4.660 -0.001 0.000 0.313 214 W C 1.752 178.266 176.519 -0.008 0.000 1.221 214 W CA 1.184 58.518 57.345 -0.019 0.000 1.266 214 W CB -0.883 28.555 29.460 -0.037 0.000 1.150 214 W HN 0.262 nan 8.180 nan 0.000 0.496 215 L N 0.511 121.867 121.223 0.220 0.000 2.046 215 L HA -0.285 4.055 4.340 -0.001 0.000 0.208 215 L C 2.758 179.712 176.870 0.139 0.000 1.077 215 L CA 1.990 56.899 54.840 0.115 0.000 0.747 215 L CB -1.071 40.945 42.059 -0.071 0.000 0.896 215 L HN 0.028 nan 8.230 nan 0.000 0.432 216 Q N 0.171 120.001 119.800 0.049 0.000 2.079 216 Q HA -0.209 4.131 4.340 -0.001 0.000 0.200 216 Q C 2.247 178.231 176.000 -0.026 0.000 0.974 216 Q CA 1.578 57.391 55.803 0.017 0.000 0.840 216 Q CB -0.096 28.639 28.738 -0.005 0.000 0.898 216 Q HN 0.172 nan 8.270 nan 0.000 0.430 217 R N 0.063 120.518 120.500 -0.075 0.000 2.092 217 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 217 R C 1.989 178.143 176.300 -0.243 0.000 1.119 217 R CA 1.713 57.716 56.100 -0.161 0.000 0.970 217 R CB -0.155 30.025 30.300 -0.200 0.000 0.864 217 R HN 0.367 nan 8.270 nan 0.000 0.440 218 E N -0.866 119.169 120.200 -0.276 0.000 2.216 218 E HA -0.045 4.305 4.350 -0.001 0.000 0.192 218 E C 1.703 178.183 176.600 -0.201 0.000 0.988 218 E CA 0.605 56.837 56.400 -0.281 0.000 0.834 218 E CB 0.037 29.594 29.700 -0.240 0.000 0.772 218 E HN 0.444 nan 8.360 nan 0.000 0.479 219 A N 1.561 124.330 122.820 -0.086 0.000 1.892 219 A HA -0.316 4.004 4.320 -0.001 0.000 0.218 219 A C 2.134 179.579 177.584 -0.233 0.000 1.188 219 A CA 2.244 54.148 52.037 -0.220 0.000 0.631 219 A CB -0.755 18.211 19.000 -0.057 0.000 0.822 219 A HN 0.341 nan 8.150 nan 0.000 0.447 220 Q N -0.966 118.728 119.800 -0.177 0.000 2.297 220 Q HA -0.041 4.298 4.340 -0.001 0.000 0.204 220 Q C 1.579 177.444 176.000 -0.225 0.000 0.962 220 Q CA 2.240 57.944 55.803 -0.165 0.000 0.879 220 Q CB -1.367 27.298 28.738 -0.121 0.000 0.947 220 Q HN 0.414 nan 8.270 nan 0.000 0.462 221 T N 0.737 115.104 114.554 -0.312 0.000 2.737 221 T HA -0.052 4.298 4.350 -0.001 0.000 0.265 221 T C 1.421 175.767 174.700 -0.590 0.000 1.038 221 T CA 1.191 62.990 62.100 -0.501 0.000 1.144 221 T CB -0.301 68.246 68.868 -0.536 0.000 0.866 221 T HN 0.241 nan 8.240 nan 0.000 0.434 222 L N 1.176 122.143 121.223 -0.427 0.000 2.083 222 L HA -0.022 4.318 4.340 -0.001 0.000 0.209 222 L C 2.466 179.216 176.870 -0.200 0.000 1.083 222 L CA 1.799 56.443 54.840 -0.327 0.000 0.752 222 L CB -0.745 41.062 42.059 -0.419 0.000 0.899 222 L HN 0.210 nan 8.230 nan 0.000 0.433 223 Q N -1.116 118.572 119.800 -0.187 0.000 2.123 223 Q HA -0.216 4.124 4.340 -0.001 0.000 0.199 223 Q C 2.261 178.226 176.000 -0.060 0.000 0.966 223 Q CA 1.752 57.491 55.803 -0.106 0.000 0.845 223 Q CB -0.177 28.501 28.738 -0.099 0.000 0.907 223 Q HN 0.654 nan 8.270 nan 0.000 0.439 224 Q N -0.919 118.834 119.800 -0.079 0.000 1.990 224 Q HA -0.200 4.140 4.340 -0.001 0.000 0.200 224 Q C 1.863 177.928 176.000 0.108 0.000 0.980 224 Q CA 1.575 57.375 55.803 -0.005 0.000 0.832 224 Q CB -0.422 28.303 28.738 -0.022 0.000 0.897 224 Q HN 0.640 nan 8.270 nan 0.000 0.427 225 Y N 0.017 120.287 120.300 -0.050 0.000 2.102 225 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 225 Y C 2.755 178.630 175.900 -0.042 0.000 1.178 225 Y CA 0.944 59.018 58.100 -0.043 0.000 1.146 225 Y CB -0.104 38.334 38.460 -0.036 0.000 0.968 225 Y HN 0.201 nan 8.280 nan 0.000 0.504 226 R N 0.270 120.848 120.500 0.130 0.000 2.097 226 R HA -0.189 4.151 4.340 -0.001 0.000 0.236 226 R C 2.138 178.460 176.300 0.037 0.000 1.135 226 R CA 1.913 58.048 56.100 0.059 0.000 0.934 226 R CB -0.949 29.363 30.300 0.019 0.000 0.846 226 R HN 0.135 nan 8.270 nan 0.000 0.431 227 V N 1.361 121.292 119.914 0.029 0.000 2.332 227 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 227 V C 2.111 178.211 176.094 0.009 0.000 1.055 227 V CA 2.092 64.402 62.300 0.016 0.000 1.038 227 V CB -0.564 31.265 31.823 0.010 0.000 0.651 227 V HN 0.410 nan 8.190 nan 0.000 0.450 228 E N -0.002 120.209 120.200 0.019 0.000 2.058 228 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 228 E C 2.247 178.813 176.600 -0.057 0.000 0.997 228 E CA 1.306 57.700 56.400 -0.010 0.000 0.801 228 E CB -0.328 29.369 29.700 -0.004 0.000 0.746 228 E HN 0.443 nan 8.360 nan 0.000 0.450 229 L N 0.786 121.970 121.223 -0.065 0.000 2.109 229 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 229 L C 2.269 179.036 176.870 -0.172 0.000 1.086 229 L CA 1.483 56.232 54.840 -0.152 0.000 0.760 229 L CB -0.743 41.252 42.059 -0.107 0.000 0.910 229 L HN -0.009 nan 8.230 nan 0.000 0.437 230 A N 0.844 123.645 122.820 -0.033 0.000 1.898 230 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 230 A C 1.959 179.559 177.584 0.027 0.000 1.181 230 A CA 1.497 53.561 52.037 0.045 0.000 0.620 230 A CB -0.527 18.504 19.000 0.051 0.000 0.819 230 A HN 0.722 nan 8.150 nan 0.000 0.442 231 E N -0.688 119.508 120.200 -0.007 0.000 2.502 231 E HA -0.049 4.301 4.350 -0.001 0.000 0.194 231 E C 1.565 178.148 176.600 -0.028 0.000 1.062 231 E CA 0.941 57.338 56.400 -0.005 0.000 0.867 231 E CB -0.060 29.635 29.700 -0.007 0.000 0.888 231 E HN 0.507 nan 8.360 nan 0.000 0.510 232 K N 0.488 120.837 120.400 -0.085 0.000 2.137 232 K HA -0.016 4.304 4.320 -0.001 0.000 0.202 232 K C 1.659 178.205 176.600 -0.089 0.000 1.052 232 K CA 1.121 57.335 56.287 -0.123 0.000 0.961 232 K CB -0.005 32.368 32.500 -0.211 0.000 0.741 232 K HN 0.277 nan 8.250 nan 0.000 0.452 233 H N -0.685 118.381 119.070 -0.007 0.000 2.299 233 H HA -0.096 4.460 4.556 -0.001 0.000 0.302 233 H C 2.024 177.349 175.328 -0.005 0.000 1.078 233 H CA 1.407 57.451 56.048 -0.006 0.000 1.323 233 H CB 0.095 29.852 29.762 -0.008 0.000 1.381 233 H HN 0.147 nan 8.280 nan 0.000 0.498 234 Q N 0.680 120.552 119.800 0.120 0.000 2.207 234 Q HA -0.303 4.036 4.340 -0.001 0.000 0.215 234 Q C 2.051 178.076 176.000 0.042 0.000 1.006 234 Q CA 2.294 58.132 55.803 0.059 0.000 0.903 234 Q CB 0.027 28.785 28.738 0.033 0.000 0.947 234 Q HN 0.131 nan 8.270 nan 0.000 0.414 235 K N -1.162 119.258 120.400 0.033 0.000 2.021 235 K HA -0.054 4.266 4.320 -0.001 0.000 0.205 235 K C 2.118 178.733 176.600 0.024 0.000 1.047 235 K CA 1.706 58.002 56.287 0.015 0.000 0.943 235 K CB -0.851 31.647 32.500 -0.003 0.000 0.725 235 K HN 0.309 nan 8.250 nan 0.000 0.439 236 T N 0.286 114.867 114.554 0.045 0.000 2.684 236 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 236 T C 1.866 176.593 174.700 0.046 0.000 1.036 236 T CA 1.738 63.870 62.100 0.053 0.000 1.148 236 T CB -0.340 68.580 68.868 0.088 0.000 0.863 236 T HN 0.201 nan 8.240 nan 0.000 0.436 237 L N 0.466 121.722 121.223 0.055 0.000 1.990 237 L HA -0.150 4.189 4.340 -0.001 0.000 0.213 237 L C 3.122 180.002 176.870 0.016 0.000 1.072 237 L CA 1.907 56.768 54.840 0.035 0.000 0.755 237 L CB -0.832 41.248 42.059 0.034 0.000 0.889 237 L HN 0.329 nan 8.230 nan 0.000 0.432 238 Q N 0.168 119.976 119.800 0.013 0.000 2.062 238 Q HA -0.272 4.067 4.340 -0.001 0.000 0.209 238 Q C 2.056 178.046 176.000 -0.016 0.000 0.996 238 Q CA 2.076 57.878 55.803 -0.002 0.000 0.859 238 Q CB -0.652 28.085 28.738 -0.003 0.000 0.920 238 Q HN 0.356 nan 8.270 nan 0.000 0.415 239 L N -0.483 120.729 121.223 -0.018 0.000 2.046 239 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 239 L C 2.062 178.900 176.870 -0.053 0.000 1.077 239 L CA 1.573 56.390 54.840 -0.039 0.000 0.747 239 L CB -0.880 41.158 42.059 -0.034 0.000 0.896 239 L HN 0.412 nan 8.230 nan 0.000 0.432 240 L N -0.306 120.902 121.223 -0.024 0.000 2.083 240 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 240 L C 2.684 179.538 176.870 -0.027 0.000 1.083 240 L CA 1.752 56.581 54.840 -0.018 0.000 0.752 240 L CB -0.762 41.313 42.059 0.026 0.000 0.899 240 L HN 0.301 nan 8.230 nan 0.000 0.433 241 R N -0.552 119.937 120.500 -0.018 0.000 2.152 241 R HA -0.179 4.160 4.340 -0.001 0.000 0.232 241 R C 2.181 178.456 176.300 -0.042 0.000 1.117 241 R CA 1.257 57.345 56.100 -0.019 0.000 0.981 241 R CB -0.178 30.117 30.300 -0.009 0.000 0.870 241 R HN 0.236 nan 8.270 nan 0.000 0.451 242 K N 0.065 120.427 120.400 -0.062 0.000 1.991 242 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 242 K C 1.960 178.482 176.600 -0.131 0.000 1.045 242 K CA 1.740 57.974 56.287 -0.087 0.000 0.937 242 K CB -0.443 32.002 32.500 -0.091 0.000 0.720 242 K HN 0.075 nan 8.250 nan 0.000 0.438 243 Q N 0.810 120.502 119.800 -0.180 0.000 2.029 243 Q HA -0.285 4.054 4.340 -0.001 0.000 0.209 243 Q C 2.141 178.021 176.000 -0.200 0.000 0.999 243 Q CA 2.597 58.230 55.803 -0.284 0.000 0.857 243 Q CB -0.597 27.909 28.738 -0.386 0.000 0.926 243 Q HN 0.435 nan 8.270 nan 0.000 0.415 244 Q N -0.751 118.986 119.800 -0.104 0.000 2.028 244 Q HA -0.248 4.092 4.340 -0.001 0.000 0.213 244 Q C 1.965 177.938 176.000 -0.046 0.000 1.017 244 Q CA 3.152 58.932 55.803 -0.038 0.000 0.875 244 Q CB -0.954 27.780 28.738 -0.008 0.000 0.962 244 Q HN 0.525 nan 8.270 nan 0.000 0.413 245 T N 0.752 115.274 114.554 -0.053 0.000 2.635 245 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 245 T C 1.686 176.349 174.700 -0.062 0.000 1.040 245 T CA 1.556 63.629 62.100 -0.046 0.000 1.156 245 T CB -0.313 68.529 68.868 -0.044 0.000 0.863 245 T HN 0.213 nan 8.240 nan 0.000 0.430 246 I N 1.148 121.655 120.570 -0.104 0.000 2.163 246 I HA -0.127 4.043 4.170 -0.001 0.000 0.243 246 I C 2.367 178.411 176.117 -0.123 0.000 1.085 246 I CA 0.971 62.193 61.300 -0.129 0.000 1.347 246 I CB -1.267 36.615 38.000 -0.196 0.000 1.044 246 I HN 0.232 nan 8.210 nan 0.000 0.408 247 I N -0.056 120.430 120.570 -0.140 0.000 2.090 247 I HA -0.281 3.889 4.170 -0.001 0.000 0.236 247 I C 2.573 178.698 176.117 0.013 0.000 1.064 247 I CA 1.519 62.771 61.300 -0.080 0.000 1.324 247 I CB -1.155 36.824 38.000 -0.034 0.000 1.044 247 I HN 0.164 nan 8.210 nan 0.000 0.399 248 L N 0.751 121.981 121.223 0.012 0.000 2.005 248 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 248 L C 2.214 179.104 176.870 0.032 0.000 1.072 248 L CA 1.865 56.724 54.840 0.032 0.000 0.744 248 L CB -0.972 41.102 42.059 0.026 0.000 0.895 248 L HN 0.267 nan 8.230 nan 0.000 0.433 249 D N -1.207 119.201 120.400 0.012 0.000 2.249 249 D HA -0.099 4.540 4.640 -0.001 0.000 0.205 249 D C 1.351 177.663 176.300 0.021 0.000 0.962 249 D CA 0.796 54.806 54.000 0.016 0.000 0.860 249 D CB 0.172 40.974 40.800 0.003 0.000 0.955 249 D HN 0.331 nan 8.370 nan 0.000 0.505 250 D N 0.487 120.892 120.400 0.009 0.000 2.527 250 D HA -0.045 4.594 4.640 -0.001 0.000 0.249 250 D C 2.039 178.373 176.300 0.056 0.000 1.029 250 D CA 0.490 54.500 54.000 0.017 0.000 0.951 250 D CB -0.002 40.786 40.800 -0.019 0.000 1.093 250 D HN -0.107 nan 8.370 nan 0.000 0.464 251 E N 0.767 120.999 120.200 0.053 0.000 2.058 251 E HA -0.150 4.200 4.350 -0.001 0.000 0.194 251 E C 2.208 178.924 176.600 0.193 0.000 0.997 251 E CA 0.520 56.999 56.400 0.132 0.000 0.801 251 E CB -0.445 29.341 29.700 0.143 0.000 0.746 251 E HN 0.194 nan 8.360 nan 0.000 0.450 252 L N 0.414 121.728 121.223 0.151 0.000 2.049 252 L HA -0.089 4.251 4.340 -0.001 0.000 0.203 252 L C 2.143 179.142 176.870 0.215 0.000 1.074 252 L CA 1.073 56.013 54.840 0.167 0.000 0.749 252 L CB -0.432 41.684 42.059 0.094 0.000 0.907 252 L HN -0.001 nan 8.230 nan 0.000 0.439 253 I N 0.209 120.864 120.570 0.142 0.000 2.185 253 I HA -0.378 3.792 4.170 -0.001 0.000 0.246 253 I C 2.607 178.801 176.117 0.129 0.000 1.088 253 I CA 1.712 63.083 61.300 0.118 0.000 1.347 253 I CB -1.360 36.683 38.000 0.072 0.000 1.041 253 I HN 0.601 nan 8.210 nan 0.000 0.415 254 Q N -0.726 119.159 119.800 0.142 0.000 2.016 254 Q HA -0.265 4.075 4.340 -0.001 0.000 0.200 254 Q C 2.389 178.491 176.000 0.171 0.000 0.978 254 Q CA 1.988 57.872 55.803 0.134 0.000 0.833 254 Q CB -0.348 28.474 28.738 0.139 0.000 0.895 254 Q HN 0.572 nan 8.270 nan 0.000 0.427 255 W N 1.652 122.983 121.300 0.051 0.000 2.342 255 W HA -0.209 4.450 4.660 -0.001 0.000 0.297 255 W C 1.845 178.373 176.519 0.015 0.000 1.213 255 W CA 1.594 58.962 57.345 0.038 0.000 1.251 255 W CB 0.098 29.586 29.460 0.046 0.000 1.136 255 W HN 0.045 nan 8.180 nan 0.000 0.526 256 K N 0.010 120.612 120.400 0.337 0.000 1.991 256 K HA -0.264 4.056 4.320 -0.001 0.000 0.212 256 K C 2.137 178.689 176.600 -0.079 0.000 1.049 256 K CA 2.025 58.389 56.287 0.129 0.000 0.932 256 K CB -0.524 32.097 32.500 0.202 0.000 0.717 256 K HN 0.131 nan 8.250 nan 0.000 0.441 257 R N 1.349 121.833 120.500 -0.027 0.000 2.091 257 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 257 R C 2.248 178.473 176.300 -0.125 0.000 1.136 257 R CA 1.561 57.625 56.100 -0.060 0.000 0.959 257 R CB -0.202 30.084 30.300 -0.022 0.000 0.856 257 R HN -0.039 nan 8.270 nan 0.000 0.437 258 R N 0.599 121.008 120.500 -0.153 0.000 2.113 258 R HA -0.238 4.102 4.340 -0.001 0.000 0.244 258 R C 2.376 178.494 176.300 -0.304 0.000 1.142 258 R CA 2.411 58.382 56.100 -0.214 0.000 0.953 258 R CB -0.416 29.734 30.300 -0.250 0.000 0.860 258 R HN 0.512 nan 8.270 nan 0.000 0.438 259 Q N -0.213 119.309 119.800 -0.465 0.000 2.020 259 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 259 Q C 2.173 178.027 176.000 -0.242 0.000 0.982 259 Q CA 2.019 57.558 55.803 -0.439 0.000 0.838 259 Q CB -0.117 28.264 28.738 -0.596 0.000 0.899 259 Q HN 0.506 nan 8.270 nan 0.000 0.423 260 Q N -0.132 119.558 119.800 -0.184 0.000 2.096 260 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 260 Q C 2.088 178.017 176.000 -0.118 0.000 0.982 260 Q CA 1.326 57.058 55.803 -0.118 0.000 0.850 260 Q CB -0.032 28.657 28.738 -0.082 0.000 0.901 260 Q HN 0.467 nan 8.270 nan 0.000 0.422 261 L N -0.314 120.833 121.223 -0.126 0.000 2.217 261 L HA -0.058 4.282 4.340 -0.001 0.000 0.211 261 L C 2.411 179.219 176.870 -0.104 0.000 1.107 261 L CA 0.646 55.418 54.840 -0.114 0.000 0.783 261 L CB -0.579 41.419 42.059 -0.102 0.000 0.919 261 L HN 0.276 nan 8.230 nan 0.000 0.442 262 A N 0.599 123.346 122.820 -0.123 0.000 2.024 262 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 262 A C 2.369 179.904 177.584 -0.081 0.000 1.164 262 A CA 1.625 53.597 52.037 -0.108 0.000 0.643 262 A CB -1.026 17.886 19.000 -0.146 0.000 0.806 262 A HN 0.452 nan 8.150 nan 0.000 0.451 263 G N 0.416 109.165 108.800 -0.085 0.000 2.491 263 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.218 263 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.218 263 G C 0.995 175.872 174.900 -0.039 0.000 1.180 263 G CA 1.026 46.089 45.100 -0.061 0.000 0.774 263 G HN 0.575 nan 8.290 nan 0.000 0.562 264 N N 1.179 119.850 118.700 -0.048 0.000 2.375 264 N HA 0.224 4.964 4.740 -0.001 0.000 0.220 264 N C 1.324 176.835 175.510 0.001 0.000 1.170 264 N CA 0.664 53.704 53.050 -0.017 0.000 0.833 264 N CB -0.098 38.356 38.487 -0.055 0.000 1.069 264 N HN 0.461 nan 8.380 nan 0.000 0.479 265 G N -0.359 108.433 108.800 -0.014 0.000 2.221 265 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.265 265 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.265 265 G C 0.603 175.492 174.900 -0.019 0.000 1.041 265 G CA 0.141 45.233 45.100 -0.013 0.000 0.807 265 G HN 0.598 nan 8.290 nan 0.000 0.502 266 G N -0.029 108.747 108.800 -0.039 0.000 2.651 266 G HA2 0.630 4.589 3.960 -0.001 0.000 0.260 266 G HA3 0.630 4.589 3.960 -0.001 0.000 0.260 266 G C -1.361 173.509 174.900 -0.051 0.000 1.216 266 G CA -0.379 44.694 45.100 -0.045 0.000 0.913 266 G HN 0.341 nan 8.290 nan 0.000 0.535 267 P HA 0.217 nan 4.420 nan 0.000 0.271 267 P C -2.600 174.653 177.300 -0.079 0.000 1.216 267 P CA -1.093 61.979 63.100 -0.048 0.000 0.776 267 P CB 0.401 32.081 31.700 -0.033 0.000 0.881 268 P HA -0.042 nan 4.420 nan 0.000 0.263 268 P C 0.908 178.124 177.300 -0.140 0.000 1.175 268 P CA 0.472 63.513 63.100 -0.099 0.000 0.761 268 P CB 0.289 31.955 31.700 -0.055 0.000 0.794 269 E N 2.238 122.279 120.200 -0.266 0.000 2.095 269 E HA -0.106 4.243 4.350 -0.001 0.000 0.212 269 E C 1.218 177.724 176.600 -0.157 0.000 1.044 269 E CA 2.215 58.326 56.400 -0.482 0.000 0.857 269 E CB -0.726 28.415 29.700 -0.932 0.000 0.764 269 E HN 0.807 nan 8.360 nan 0.000 0.462 270 G N -0.925 107.889 108.800 0.023 0.000 2.541 270 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.686 270 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.686 270 G C -0.508 174.574 174.900 0.304 0.000 1.286 270 G CA -0.393 44.795 45.100 0.148 0.000 0.894 270 G HN 0.311 nan 8.290 nan 0.000 0.575 271 S N -0.844 114.957 115.700 0.168 0.000 2.533 271 S HA 0.294 4.764 4.470 -0.001 0.000 0.282 271 S C 1.992 176.623 174.600 0.051 0.000 1.304 271 S CA 0.063 58.327 58.200 0.107 0.000 1.063 271 S CB 0.404 63.608 63.200 0.006 0.000 0.881 271 S HN 0.783 nan 8.310 nan 0.000 0.493 272 L N 3.732 124.922 121.223 -0.056 0.000 2.265 272 L HA -0.113 4.227 4.340 -0.001 0.000 0.215 272 L C 1.780 178.466 176.870 -0.306 0.000 1.117 272 L CA 0.799 55.415 54.840 -0.374 0.000 0.782 272 L CB -0.379 41.424 42.059 -0.427 0.000 0.914 272 L HN 0.649 nan 8.230 nan 0.000 0.441 273 D N -0.491 119.786 120.400 -0.205 0.000 2.149 273 D HA -0.234 4.406 4.640 -0.001 0.000 0.194 273 D C 2.183 178.303 176.300 -0.300 0.000 1.001 273 D CA 1.346 55.218 54.000 -0.212 0.000 0.849 273 D CB -0.304 40.401 40.800 -0.159 0.000 0.939 273 D HN 0.159 nan 8.370 nan 0.000 0.449 274 V N 0.101 119.814 119.914 -0.335 0.000 2.392 274 V HA -0.220 3.900 4.120 -0.001 0.000 0.249 274 V C 2.252 177.833 176.094 -0.855 0.000 1.059 274 V CA 1.363 63.329 62.300 -0.556 0.000 1.051 274 V CB -0.171 31.404 31.823 -0.414 0.000 0.658 274 V HN 0.112 nan 8.190 nan 0.000 0.455 275 L N -0.579 120.331 121.223 -0.522 0.000 2.240 275 L HA -0.086 4.253 4.340 -0.001 0.000 0.211 275 L C 2.455 179.219 176.870 -0.177 0.000 1.106 275 L CA 1.792 56.437 54.840 -0.324 0.000 0.793 275 L CB -0.523 41.420 42.059 -0.194 0.000 0.927 275 L HN 0.381 nan 8.230 nan 0.000 0.446 276 Q N -0.517 119.143 119.800 -0.234 0.000 2.016 276 Q HA -0.218 4.122 4.340 -0.001 0.000 0.200 276 Q C 2.393 178.332 176.000 -0.101 0.000 0.978 276 Q CA 2.168 57.886 55.803 -0.143 0.000 0.833 276 Q CB -0.017 28.626 28.738 -0.158 0.000 0.895 276 Q HN 0.626 nan 8.270 nan 0.000 0.427 277 S N -0.014 115.577 115.700 -0.182 0.000 2.393 277 S HA -0.281 4.189 4.470 -0.001 0.000 0.235 277 S C 1.585 176.184 174.600 -0.003 0.000 1.061 277 S CA 1.667 59.774 58.200 -0.155 0.000 1.129 277 S CB -1.669 61.362 63.200 -0.282 0.000 1.011 277 S HN 0.632 nan 8.310 nan 0.000 0.436 278 W N 0.989 122.258 121.300 -0.052 0.000 2.290 278 W HA -0.249 4.410 4.660 -0.000 0.000 0.328 278 W C 2.972 179.517 176.519 0.043 0.000 1.272 278 W CA 0.605 57.988 57.345 0.064 0.000 1.262 278 W CB -1.001 28.562 29.460 0.172 0.000 1.151 278 W HN 0.412 nan 8.180 nan 0.000 0.473 279 C N 0.220 119.673 119.300 0.255 0.000 2.450 279 C HA -0.145 4.314 4.460 -0.001 0.000 0.279 279 C C 2.536 177.578 174.990 0.086 0.000 1.335 279 C CA 1.506 60.620 59.018 0.160 0.000 1.749 279 C CB -1.441 26.352 27.740 0.089 0.000 1.963 279 C HN 0.462 nan 8.230 nan 0.000 0.501 280 E N 1.465 121.680 120.200 0.025 0.000 2.076 280 E HA -0.198 4.152 4.350 -0.001 0.000 0.190 280 E C 1.872 178.458 176.600 -0.023 0.000 0.979 280 E CA 0.954 57.350 56.400 -0.007 0.000 0.807 280 E CB -0.365 29.313 29.700 -0.037 0.000 0.761 280 E HN 0.417 nan 8.360 nan 0.000 0.454 281 K N 1.205 121.545 120.400 -0.100 0.000 2.059 281 K HA -0.129 4.191 4.320 -0.001 0.000 0.212 281 K C 2.188 178.753 176.600 -0.059 0.000 1.050 281 K CA 1.377 57.517 56.287 -0.245 0.000 0.927 281 K CB -0.327 31.733 32.500 -0.734 0.000 0.714 281 K HN 0.168 nan 8.250 nan 0.000 0.447 282 L N -0.465 120.831 121.223 0.123 0.000 1.994 282 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 282 L C 2.401 179.376 176.870 0.175 0.000 1.071 282 L CA 1.466 56.470 54.840 0.274 0.000 0.745 282 L CB -0.576 41.654 42.059 0.284 0.000 0.892 282 L HN 0.349 nan 8.230 nan 0.000 0.431 283 A N -0.515 122.381 122.820 0.128 0.000 1.917 283 A HA -0.307 4.012 4.320 -0.001 0.000 0.219 283 A C 2.211 179.888 177.584 0.156 0.000 1.182 283 A CA 2.128 54.240 52.037 0.125 0.000 0.633 283 A CB -0.646 18.391 19.000 0.062 0.000 0.819 283 A HN 0.557 nan 8.150 nan 0.000 0.448 284 E N -0.494 119.771 120.200 0.109 0.000 2.031 284 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 284 E C 1.863 178.562 176.600 0.164 0.000 0.994 284 E CA 1.439 57.913 56.400 0.123 0.000 0.800 284 E CB -0.189 29.544 29.700 0.056 0.000 0.752 284 E HN 0.539 nan 8.360 nan 0.000 0.447 285 I N 1.414 122.071 120.570 0.145 0.000 2.761 285 I HA -0.134 4.036 4.170 -0.001 0.000 0.261 285 I C 1.933 178.136 176.117 0.144 0.000 1.198 285 I CA 0.615 62.001 61.300 0.144 0.000 1.482 285 I CB -0.430 37.663 38.000 0.155 0.000 1.100 285 I HN 0.294 nan 8.210 nan 0.000 0.445 286 I N 0.407 121.079 120.570 0.170 0.000 2.277 286 I HA -0.233 3.937 4.170 -0.001 0.000 0.243 286 I C 2.360 178.578 176.117 0.169 0.000 1.094 286 I CA 1.213 62.604 61.300 0.151 0.000 1.393 286 I CB -0.835 37.260 38.000 0.158 0.000 1.078 286 I HN 0.420 nan 8.210 nan 0.000 0.417 287 W N 2.010 123.337 121.300 0.046 0.000 2.374 287 W HA -0.250 4.410 4.660 -0.000 0.000 0.288 287 W C 2.252 178.787 176.519 0.028 0.000 1.218 287 W CA 1.258 58.629 57.345 0.042 0.000 1.245 287 W CB -0.121 29.371 29.460 0.053 0.000 1.126 287 W HN 0.342 nan 8.180 nan 0.000 0.545 288 Q N 0.444 120.316 119.800 0.120 0.000 1.921 288 Q HA -0.284 4.055 4.340 -0.001 0.000 0.208 288 Q C 1.900 177.846 176.000 -0.090 0.000 0.994 288 Q CA 2.622 58.434 55.803 0.015 0.000 0.857 288 Q CB -0.945 27.835 28.738 0.070 0.000 0.925 288 Q HN 0.288 nan 8.270 nan 0.000 0.421 289 N N -0.214 118.456 118.700 -0.051 0.000 2.310 289 N HA -0.255 4.484 4.740 -0.001 0.000 0.193 289 N C 1.610 176.964 175.510 -0.259 0.000 1.001 289 N CA 0.803 53.772 53.050 -0.136 0.000 0.890 289 N CB -0.015 38.427 38.487 -0.075 0.000 0.972 289 N HN 0.117 nan 8.380 nan 0.000 0.445 290 R N 1.403 121.739 120.500 -0.273 0.000 2.056 290 R HA -0.120 4.220 4.340 -0.001 0.000 0.227 290 R C 2.013 178.074 176.300 -0.398 0.000 1.149 290 R CA 1.651 57.520 56.100 -0.384 0.000 0.937 290 R CB -0.344 29.603 30.300 -0.588 0.000 0.835 290 R HN 0.469 nan 8.270 nan 0.000 0.430 291 Q N 0.120 119.641 119.800 -0.464 0.000 2.297 291 Q HA -0.197 4.143 4.340 -0.001 0.000 0.208 291 Q C 1.798 177.693 176.000 -0.175 0.000 0.981 291 Q CA 1.270 56.888 55.803 -0.308 0.000 0.876 291 Q CB -0.231 28.357 28.738 -0.250 0.000 0.921 291 Q HN 0.505 nan 8.270 nan 0.000 0.446 292 Q N 0.753 120.453 119.800 -0.166 0.000 2.020 292 Q HA -0.090 4.250 4.340 -0.001 0.000 0.198 292 Q C 2.315 178.262 176.000 -0.088 0.000 0.974 292 Q CA 1.387 57.138 55.803 -0.086 0.000 0.829 292 Q CB -0.121 28.593 28.738 -0.041 0.000 0.894 292 Q HN 0.566 nan 8.270 nan 0.000 0.433 293 I N -0.790 119.648 120.570 -0.219 0.000 2.928 293 I HA -0.107 4.063 4.170 -0.001 0.000 0.266 293 I C 1.768 177.837 176.117 -0.079 0.000 1.234 293 I CA 1.328 62.539 61.300 -0.148 0.000 1.483 293 I CB -0.478 37.385 38.000 -0.228 0.000 1.097 293 I HN 0.060 nan 8.210 nan 0.000 0.455 294 R N 0.993 121.429 120.500 -0.106 0.000 2.153 294 R HA 0.056 4.396 4.340 -0.001 0.000 0.218 294 R C 2.426 178.722 176.300 -0.006 0.000 1.072 294 R CA 0.735 56.794 56.100 -0.069 0.000 0.990 294 R CB -0.042 30.186 30.300 -0.119 0.000 0.889 294 R HN 0.320 nan 8.270 nan 0.000 0.452 295 R N -0.754 119.739 120.500 -0.012 0.000 2.119 295 R HA 0.057 4.397 4.340 -0.001 0.000 0.222 295 R C 2.096 178.442 176.300 0.077 0.000 1.088 295 R CA 1.024 57.139 56.100 0.026 0.000 0.984 295 R CB -0.060 30.239 30.300 -0.001 0.000 0.884 295 R HN 0.187 nan 8.270 nan 0.000 0.447 296 A N 1.549 124.404 122.820 0.058 0.000 1.877 296 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 296 A C 1.777 179.397 177.584 0.060 0.000 1.186 296 A CA 1.355 53.433 52.037 0.070 0.000 0.620 296 A CB -0.296 18.753 19.000 0.082 0.000 0.822 296 A HN 0.196 nan 8.150 nan 0.000 0.443 297 E N -0.235 119.991 120.200 0.044 0.000 2.045 297 E HA -0.297 4.053 4.350 -0.001 0.000 0.212 297 E C 1.881 178.510 176.600 0.048 0.000 1.039 297 E CA 1.630 58.049 56.400 0.032 0.000 0.860 297 E CB -1.121 28.593 29.700 0.023 0.000 0.776 297 E HN 0.785 nan 8.360 nan 0.000 0.467 298 H N 0.923 119.989 119.070 -0.007 0.000 2.407 298 H HA -0.161 4.395 4.556 -0.001 0.000 0.293 298 H C 2.257 177.589 175.328 0.006 0.000 1.122 298 H CA 1.620 57.667 56.048 -0.002 0.000 1.232 298 H CB -0.137 29.624 29.762 -0.001 0.000 1.361 298 H HN 0.085 nan 8.280 nan 0.000 0.498 299 L N -0.520 120.781 121.223 0.130 0.000 2.007 299 L HA -0.193 4.146 4.340 -0.001 0.000 0.205 299 L C 3.079 179.960 176.870 0.019 0.000 1.073 299 L CA 1.394 56.284 54.840 0.084 0.000 0.744 299 L CB -0.604 41.509 42.059 0.089 0.000 0.898 299 L HN 0.395 nan 8.230 nan 0.000 0.435 300 C N -0.292 119.015 119.300 0.012 0.000 2.432 300 C HA -0.155 4.304 4.460 -0.001 0.000 0.280 300 C C 2.510 177.486 174.990 -0.024 0.000 1.353 300 C CA 0.591 59.606 59.018 -0.006 0.000 1.766 300 C CB -1.322 26.419 27.740 0.000 0.000 1.924 300 C HN 0.625 nan 8.230 nan 0.000 0.509 301 Q N 0.341 120.112 119.800 -0.047 0.000 2.444 301 Q HA 0.036 4.375 4.340 -0.001 0.000 0.206 301 Q C 1.569 177.505 176.000 -0.107 0.000 0.948 301 Q CA 0.843 56.602 55.803 -0.073 0.000 0.946 301 Q CB -0.225 28.462 28.738 -0.086 0.000 1.027 301 Q HN 0.689 nan 8.270 nan 0.000 0.513 302 Q N -0.153 119.586 119.800 -0.103 0.000 2.316 302 Q HA 0.268 4.608 4.340 -0.001 0.000 0.235 302 Q C -0.532 175.445 176.000 -0.038 0.000 0.863 302 Q CA 0.002 55.748 55.803 -0.096 0.000 0.939 302 Q CB 1.037 29.699 28.738 -0.126 0.000 1.108 302 Q HN 0.281 nan 8.270 nan 0.000 0.522 303 L N 2.276 123.491 121.223 -0.013 0.000 2.514 303 L HA 0.389 4.728 4.340 -0.001 0.000 0.257 303 L C -2.648 174.230 176.870 0.012 0.000 1.101 303 L CA -1.951 52.901 54.840 0.020 0.000 0.911 303 L CB 1.310 43.393 42.059 0.040 0.000 1.162 303 L HN -0.184 nan 8.230 nan 0.000 0.477 304 P HA 0.147 nan 4.420 nan 0.000 0.267 304 P C -0.667 176.641 177.300 0.012 0.000 1.201 304 P CA 0.172 63.279 63.100 0.012 0.000 0.775 304 P CB 0.677 32.389 31.700 0.020 0.000 0.854 305 I N -1.566 119.002 120.570 -0.004 0.000 2.850 305 I HA 0.259 4.429 4.170 -0.001 0.000 0.282 305 I C -2.686 173.421 176.117 -0.016 0.000 1.629 305 I CA -2.590 58.698 61.300 -0.019 0.000 0.792 305 I CB -0.114 37.859 38.000 -0.045 0.000 1.776 305 I HN -0.010 nan 8.210 nan 0.000 0.578 306 P HA 0.187 nan 4.420 nan 0.000 0.241 306 P C 0.584 177.876 177.300 -0.013 0.000 1.093 306 P CA 1.074 64.169 63.100 -0.007 0.000 0.843 306 P CB -0.035 31.663 31.700 -0.004 0.000 0.760 307 G N 4.032 112.825 108.800 -0.012 0.000 2.554 307 G HA2 0.420 4.380 3.960 -0.001 0.000 0.306 307 G HA3 0.420 4.380 3.960 -0.001 0.000 0.306 307 G C -2.566 172.329 174.900 -0.009 0.000 1.320 307 G CA -0.762 44.330 45.100 -0.013 0.000 0.800 307 G HN 0.123 nan 8.290 nan 0.000 0.481 308 P HA 0.082 nan 4.420 nan 0.000 0.242 308 P C 1.449 178.748 177.300 -0.001 0.000 1.197 308 P CA 0.266 63.363 63.100 -0.004 0.000 0.765 308 P CB 0.437 32.134 31.700 -0.005 0.000 0.936 309 V N 1.114 121.027 119.914 -0.002 0.000 2.488 309 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 309 V C 2.508 178.605 176.094 0.005 0.000 1.046 309 V CA 1.632 63.934 62.300 0.003 0.000 1.053 309 V CB -0.789 31.035 31.823 0.001 0.000 0.679 309 V HN 0.198 nan 8.190 nan 0.000 0.458 310 E N 0.003 120.203 120.200 0.001 0.000 2.097 310 E HA -0.311 4.039 4.350 -0.001 0.000 0.196 310 E C 2.022 178.623 176.600 0.002 0.000 1.000 310 E CA 1.588 57.988 56.400 0.000 0.000 0.804 310 E CB -0.167 29.531 29.700 -0.003 0.000 0.740 310 E HN 0.542 nan 8.360 nan 0.000 0.454 311 E N 1.027 121.228 120.200 0.002 0.000 1.998 311 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 311 E C 2.124 178.728 176.600 0.007 0.000 1.003 311 E CA 1.439 57.840 56.400 0.003 0.000 0.829 311 E CB -0.192 29.509 29.700 0.002 0.000 0.777 311 E HN 0.174 nan 8.360 nan 0.000 0.460 312 M N -0.074 119.531 119.600 0.010 0.000 2.103 312 M HA -0.284 4.196 4.480 -0.001 0.000 0.255 312 M C 2.337 178.650 176.300 0.022 0.000 1.074 312 M CA 1.558 56.868 55.300 0.017 0.000 1.090 312 M CB -0.612 32.000 32.600 0.020 0.000 1.325 312 M HN 0.156 nan 8.290 nan 0.000 0.403 313 L N -0.340 120.895 121.223 0.021 0.000 1.989 313 L HA -0.217 4.122 4.340 -0.001 0.000 0.211 313 L C 2.847 179.720 176.870 0.005 0.000 1.071 313 L CA 1.492 56.343 54.840 0.018 0.000 0.749 313 L CB -0.773 41.295 42.059 0.015 0.000 0.890 313 L HN 0.366 nan 8.230 nan 0.000 0.431 314 A N -1.052 121.770 122.820 0.002 0.000 1.969 314 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 314 A C 2.277 179.861 177.584 -0.000 0.000 1.169 314 A CA 1.546 53.582 52.037 -0.002 0.000 0.635 314 A CB -0.428 18.571 19.000 -0.002 0.000 0.810 314 A HN 0.448 nan 8.150 nan 0.000 0.445 315 E N -0.073 120.129 120.200 0.004 0.000 2.046 315 E HA -0.106 4.244 4.350 -0.001 0.000 0.190 315 E C 1.988 178.593 176.600 0.007 0.000 0.982 315 E CA 1.356 57.760 56.400 0.006 0.000 0.800 315 E CB -0.121 29.584 29.700 0.008 0.000 0.756 315 E HN 0.289 nan 8.360 nan 0.000 0.449 316 V N 1.646 121.566 119.914 0.010 0.000 2.427 316 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 316 V C 2.219 178.305 176.094 -0.015 0.000 1.051 316 V CA 2.042 64.347 62.300 0.008 0.000 1.048 316 V CB -0.625 31.216 31.823 0.030 0.000 0.666 316 V HN 0.350 nan 8.190 nan 0.000 0.456 317 N N -0.784 117.904 118.700 -0.020 0.000 2.331 317 N HA -0.075 4.664 4.740 -0.001 0.000 0.180 317 N C 1.835 177.337 175.510 -0.013 0.000 1.019 317 N CA 0.877 53.909 53.050 -0.031 0.000 0.881 317 N CB -0.079 38.388 38.487 -0.032 0.000 0.972 317 N HN 0.474 nan 8.380 nan 0.000 0.435 318 A N 0.205 123.022 122.820 -0.004 0.000 1.898 318 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 318 A C 2.279 179.871 177.584 0.013 0.000 1.181 318 A CA 2.057 54.097 52.037 0.005 0.000 0.620 318 A CB -1.117 17.886 19.000 0.006 0.000 0.819 318 A HN 0.543 nan 8.150 nan 0.000 0.442 319 T N -2.316 112.244 114.554 0.010 0.000 2.942 319 T HA 0.048 4.398 4.350 -0.001 0.000 0.265 319 T C 1.844 176.558 174.700 0.022 0.000 1.062 319 T CA 1.090 63.200 62.100 0.016 0.000 1.139 319 T CB -0.404 68.472 68.868 0.014 0.000 0.883 319 T HN 0.307 nan 8.240 nan 0.000 0.468 320 I N 2.532 123.108 120.570 0.011 0.000 2.614 320 I HA -0.168 4.002 4.170 -0.001 0.000 0.258 320 I C 2.462 178.610 176.117 0.052 0.000 1.189 320 I CA 1.602 62.911 61.300 0.016 0.000 1.462 320 I CB -0.252 37.731 38.000 -0.028 0.000 1.092 320 I HN 0.499 nan 8.210 nan 0.000 0.442 321 T N -2.663 111.924 114.554 0.054 0.000 2.896 321 T HA -0.116 4.234 4.350 -0.001 0.000 0.263 321 T C 1.630 176.399 174.700 0.115 0.000 1.050 321 T CA 0.910 63.070 62.100 0.100 0.000 1.140 321 T CB -0.387 68.526 68.868 0.074 0.000 0.877 321 T HN 0.273 nan 8.240 nan 0.000 0.457 322 D N 1.720 122.165 120.400 0.075 0.000 2.123 322 D HA -0.074 4.566 4.640 -0.001 0.000 0.196 322 D C 2.111 178.448 176.300 0.061 0.000 0.992 322 D CA 1.439 55.478 54.000 0.065 0.000 0.833 322 D CB -0.245 40.580 40.800 0.042 0.000 0.954 322 D HN 0.576 nan 8.370 nan 0.000 0.455 323 I N -0.933 119.672 120.570 0.058 0.000 2.493 323 I HA -0.135 4.035 4.170 -0.001 0.000 0.254 323 I C 2.054 178.210 176.117 0.065 0.000 1.160 323 I CA 1.046 62.377 61.300 0.053 0.000 1.445 323 I CB -0.142 37.885 38.000 0.046 0.000 1.086 323 I HN -0.102 nan 8.210 nan 0.000 0.433 324 I N 0.520 121.150 120.570 0.100 0.000 2.277 324 I HA -0.185 3.984 4.170 -0.001 0.000 0.243 324 I C 2.501 178.591 176.117 -0.044 0.000 1.094 324 I CA 1.312 62.672 61.300 0.101 0.000 1.393 324 I CB -0.377 37.776 38.000 0.254 0.000 1.078 324 I HN 0.258 nan 8.210 nan 0.000 0.417 325 S N 1.360 117.070 115.700 0.015 0.000 2.359 325 S HA -0.208 4.261 4.470 -0.001 0.000 0.224 325 S C 2.256 176.793 174.600 -0.105 0.000 1.035 325 S CA 1.180 59.326 58.200 -0.091 0.000 1.018 325 S CB -0.638 62.645 63.200 0.139 0.000 0.876 325 S HN 0.519 nan 8.310 nan 0.000 0.448 326 A N 2.426 125.232 122.820 -0.023 0.000 1.870 326 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 326 A C 2.135 179.699 177.584 -0.034 0.000 1.286 326 A CA 1.959 53.989 52.037 -0.013 0.000 0.682 326 A CB -1.298 17.708 19.000 0.010 0.000 0.844 326 A HN 0.433 nan 8.150 nan 0.000 0.460 327 L N -0.667 120.540 121.223 -0.027 0.000 1.956 327 L HA -0.230 4.109 4.340 -0.001 0.000 0.216 327 L C 2.639 179.476 176.870 -0.054 0.000 1.073 327 L CA 2.230 57.062 54.840 -0.013 0.000 0.762 327 L CB -0.502 41.569 42.059 0.021 0.000 0.889 327 L HN 0.348 nan 8.230 nan 0.000 0.433 328 V N -0.125 119.687 119.914 -0.170 0.000 2.219 328 V HA -0.377 3.742 4.120 -0.001 0.000 0.248 328 V C 2.565 178.595 176.094 -0.107 0.000 1.053 328 V CA 2.610 64.782 62.300 -0.214 0.000 1.009 328 V CB -1.249 30.180 31.823 -0.656 0.000 0.636 328 V HN 0.627 nan 8.190 nan 0.000 0.445 329 T N 0.621 115.077 114.554 -0.164 0.000 2.652 329 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 329 T C 1.784 176.525 174.700 0.069 0.000 1.039 329 T CA 1.857 63.936 62.100 -0.035 0.000 1.153 329 T CB -0.616 68.232 68.868 -0.034 0.000 0.863 329 T HN 0.633 nan 8.240 nan 0.000 0.428 330 S N 1.644 117.366 115.700 0.036 0.000 2.607 330 S HA -0.003 4.467 4.470 -0.001 0.000 0.224 330 S C 1.779 176.417 174.600 0.064 0.000 0.969 330 S CA 0.764 58.998 58.200 0.058 0.000 0.927 330 S CB -0.752 62.471 63.200 0.039 0.000 0.772 330 S HN 0.776 nan 8.310 nan 0.000 0.533 331 T N -1.880 112.720 114.554 0.076 0.000 3.054 331 T HA 0.324 4.673 4.350 -0.001 0.000 0.255 331 T C -0.048 174.722 174.700 0.116 0.000 1.035 331 T CA -0.553 61.584 62.100 0.062 0.000 0.941 331 T CB -0.526 68.369 68.868 0.046 0.000 1.026 331 T HN 0.271 nan 8.240 nan 0.000 0.533 332 F N 4.552 124.510 119.950 0.014 0.000 2.462 332 F HA 0.543 5.070 4.527 -0.000 0.000 0.354 332 F C -0.130 175.678 175.800 0.014 0.000 1.192 332 F CA -2.620 55.401 58.000 0.035 0.000 1.173 332 F CB -0.085 38.968 39.000 0.088 0.000 1.402 332 F HN 0.271 nan 8.300 nan 0.000 0.595 333 I N 4.098 124.474 120.570 -0.323 0.000 2.785 333 I HA 0.509 4.679 4.170 -0.001 0.000 0.302 333 I C -0.817 175.071 176.117 -0.381 0.000 1.069 333 I CA -1.152 59.986 61.300 -0.272 0.000 1.045 333 I CB 2.313 40.244 38.000 -0.115 0.000 1.236 333 I HN 0.176 nan 8.210 nan 0.000 0.429 334 I N 3.708 124.101 120.570 -0.296 0.000 2.421 334 I HA 0.083 4.253 4.170 -0.001 0.000 0.291 334 I C 1.180 177.243 176.117 -0.089 0.000 1.089 334 I CA 0.220 61.326 61.300 -0.324 0.000 1.354 334 I CB 0.931 38.724 38.000 -0.345 0.000 1.413 334 I HN 0.865 nan 8.210 nan 0.000 0.513 335 E N 6.589 126.721 120.200 -0.113 0.000 2.005 335 E HA -0.085 4.265 4.350 -0.001 0.000 0.191 335 E C 0.920 177.548 176.600 0.046 0.000 0.987 335 E CA 0.792 57.220 56.400 0.048 0.000 0.814 335 E CB 0.315 29.984 29.700 -0.051 0.000 0.772 335 E HN 0.451 nan 8.360 nan 0.000 0.453 336 K N 1.401 121.772 120.400 -0.047 0.000 2.262 336 K HA 0.064 4.384 4.320 -0.001 0.000 0.282 336 K C -0.855 175.705 176.600 -0.067 0.000 1.066 336 K CA -0.326 55.941 56.287 -0.033 0.000 0.901 336 K CB 1.260 33.758 32.500 -0.004 0.000 1.089 336 K HN 0.013 nan 8.250 nan 0.000 0.476 337 Q N 5.055 124.828 119.800 -0.045 0.000 2.293 337 Q HA 0.228 4.568 4.340 -0.001 0.000 0.251 337 Q C -2.251 173.764 176.000 0.024 0.000 0.930 337 Q CA -1.624 54.156 55.803 -0.038 0.000 0.893 337 Q CB 0.934 29.649 28.738 -0.039 0.000 1.215 337 Q HN 0.381 nan 8.270 nan 0.000 0.425 338 P HA 0.088 nan 4.420 nan 0.000 0.268 338 P C -2.486 174.840 177.300 0.042 0.000 1.205 338 P CA -1.090 62.101 63.100 0.151 0.000 0.771 338 P CB -0.287 31.540 31.700 0.211 0.000 0.858 339 P HA -0.081 nan 4.420 nan 0.000 0.257 339 P C 0.978 178.223 177.300 -0.091 0.000 1.153 339 P CA 0.683 63.760 63.100 -0.039 0.000 0.762 339 P CB 0.143 31.805 31.700 -0.063 0.000 0.743 340 Q N 2.766 122.530 119.800 -0.061 0.000 2.291 340 Q HA -0.009 4.331 4.340 -0.001 0.000 0.205 340 Q C 0.530 176.481 176.000 -0.082 0.000 0.970 340 Q CA 0.848 56.612 55.803 -0.066 0.000 0.876 340 Q CB 0.204 28.914 28.738 -0.046 0.000 0.935 340 Q HN 0.325 nan 8.270 nan 0.000 0.455 341 V N 1.257 121.119 119.914 -0.086 0.000 2.385 341 V HA 0.385 4.505 4.120 -0.001 0.000 0.277 341 V C -1.817 174.199 176.094 -0.130 0.000 1.012 341 V CA -0.957 61.287 62.300 -0.093 0.000 0.832 341 V CB 0.671 32.462 31.823 -0.053 0.000 1.028 341 V HN 0.153 nan 8.190 nan 0.000 0.436 342 L N 5.078 126.190 121.223 -0.186 0.000 2.342 342 L HA 0.750 5.090 4.340 -0.001 0.000 0.271 342 L C -0.104 176.651 176.870 -0.192 0.000 1.008 342 L CA -0.935 53.771 54.840 -0.224 0.000 0.818 342 L CB 1.454 43.264 42.059 -0.414 0.000 1.296 342 L HN 0.585 nan 8.230 nan 0.000 0.427 343 K N -0.422 119.894 120.400 -0.141 0.000 2.138 343 K HA 0.420 4.740 4.320 -0.001 0.000 0.263 343 K C 0.017 176.571 176.600 -0.078 0.000 0.965 343 K CA -0.566 55.657 56.287 -0.108 0.000 0.868 343 K CB 1.356 33.813 32.500 -0.073 0.000 1.083 343 K HN 0.665 nan 8.250 nan 0.000 0.443 344 T N 2.113 116.626 114.554 -0.068 0.000 2.872 344 T HA -0.158 4.192 4.350 -0.001 0.000 0.292 344 T C -0.222 174.479 174.700 0.002 0.000 1.036 344 T CA 0.936 63.014 62.100 -0.037 0.000 1.136 344 T CB -0.358 68.494 68.868 -0.026 0.000 1.052 344 T HN 0.664 nan 8.240 nan 0.000 0.512 345 Q N 1.946 121.764 119.800 0.030 0.000 2.443 345 Q HA -0.133 4.206 4.340 -0.001 0.000 0.362 345 Q C -0.460 175.580 176.000 0.066 0.000 1.423 345 Q CA 1.143 56.979 55.803 0.054 0.000 1.037 345 Q CB -1.677 27.082 28.738 0.035 0.000 1.208 345 Q HN 0.758 nan 8.270 nan 0.000 0.334 346 T N 0.462 115.086 114.554 0.117 0.000 2.991 346 T HA 0.309 4.659 4.350 -0.001 0.000 0.303 346 T C -0.423 174.426 174.700 0.249 0.000 1.015 346 T CA -1.024 61.153 62.100 0.129 0.000 1.007 346 T CB 1.619 70.534 68.868 0.079 0.000 1.034 346 T HN 0.268 nan 8.240 nan 0.000 0.446 347 K N 3.866 124.364 120.400 0.164 0.000 2.402 347 K HA 0.308 4.628 4.320 -0.001 0.000 0.285 347 K C -0.735 175.997 176.600 0.220 0.000 1.054 347 K CA 0.012 56.379 56.287 0.134 0.000 1.001 347 K CB -0.013 32.522 32.500 0.058 0.000 0.946 347 K HN 0.616 nan 8.250 nan 0.000 0.473 348 F N 1.367 121.347 119.950 0.050 0.000 2.664 348 F HA 0.809 5.336 4.527 -0.001 0.000 0.329 348 F C -1.072 174.786 175.800 0.096 0.000 1.090 348 F CA -1.208 56.827 58.000 0.058 0.000 0.978 348 F CB 1.164 40.191 39.000 0.044 0.000 1.378 348 F HN 0.351 nan 8.300 nan 0.000 0.495 349 A N 0.730 123.669 122.820 0.198 0.000 2.527 349 A HA 1.004 5.324 4.320 -0.001 0.000 0.293 349 A C -1.474 176.235 177.584 0.208 0.000 1.117 349 A CA -0.455 51.656 52.037 0.124 0.000 0.723 349 A CB 1.327 20.401 19.000 0.123 0.000 1.313 349 A HN 1.916 nan 8.150 nan 0.000 0.411 350 A N -0.228 122.698 122.820 0.176 0.000 2.587 350 A HA 0.850 5.169 4.320 -0.001 0.000 0.293 350 A C -0.722 176.867 177.584 0.007 0.000 1.087 350 A CA -0.418 51.648 52.037 0.050 0.000 0.692 350 A CB 1.409 20.402 19.000 -0.012 0.000 1.291 350 A HN 1.064 nan 8.150 nan 0.000 0.407 351 T N 1.015 115.479 114.554 -0.150 0.000 2.881 351 T HA 0.556 4.906 4.350 -0.001 0.000 0.291 351 T C -1.005 173.490 174.700 -0.343 0.000 0.990 351 T CA -0.397 61.561 62.100 -0.237 0.000 0.976 351 T CB 1.152 69.834 68.868 -0.310 0.000 0.970 351 T HN 1.511 nan 8.240 nan 0.000 0.438 352 V N 4.850 124.558 119.914 -0.343 0.000 2.555 352 V HA 0.912 5.032 4.120 -0.001 0.000 0.302 352 V C -0.601 175.318 176.094 -0.293 0.000 1.038 352 V CA -0.871 61.158 62.300 -0.452 0.000 0.887 352 V CB 1.570 32.956 31.823 -0.729 0.000 0.991 352 V HN 0.984 nan 8.190 nan 0.000 0.434 353 R N 4.830 125.145 120.500 -0.307 0.000 2.888 353 R HA 0.855 5.195 4.340 -0.001 0.000 0.264 353 R C -1.876 174.355 176.300 -0.114 0.000 1.045 353 R CA -0.940 55.064 56.100 -0.160 0.000 0.962 353 R CB 1.939 32.159 30.300 -0.135 0.000 1.210 353 R HN 0.712 nan 8.270 nan 0.000 0.479 354 L N 2.523 123.761 121.223 0.025 0.000 2.372 354 L HA 0.374 4.714 4.340 -0.001 0.000 0.274 354 L C -0.468 176.418 176.870 0.026 0.000 0.988 354 L CA -0.494 54.414 54.840 0.115 0.000 0.833 354 L CB 1.891 44.090 42.059 0.235 0.000 1.236 354 L HN 0.902 nan 8.230 nan 0.000 0.410 355 L N 4.305 125.528 121.223 0.001 0.000 2.156 355 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 355 L C 1.954 178.815 176.870 -0.015 0.000 1.095 355 L CA 1.184 56.002 54.840 -0.036 0.000 0.770 355 L CB -0.412 41.610 42.059 -0.061 0.000 0.914 355 L HN 0.756 nan 8.230 nan 0.000 0.439 356 V N -3.433 116.486 119.914 0.009 0.000 3.041 356 V HA 0.118 4.238 4.120 -0.001 0.000 0.260 356 V C 2.377 178.458 176.094 -0.022 0.000 1.105 356 V CA 1.062 63.363 62.300 0.001 0.000 1.125 356 V CB -1.485 30.348 31.823 0.017 0.000 0.730 356 V HN 0.341 nan 8.190 nan 0.000 0.479 357 G N 1.403 110.192 108.800 -0.019 0.000 2.545 357 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.222 357 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.222 357 G C 1.450 176.327 174.900 -0.038 0.000 1.126 357 G CA 1.245 46.322 45.100 -0.038 0.000 0.754 357 G HN 0.734 nan 8.290 nan 0.000 0.583 358 G N 0.776 109.561 108.800 -0.025 0.000 2.552 358 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.216 358 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.216 358 G C 1.678 176.464 174.900 -0.190 0.000 1.240 358 G CA 1.529 46.595 45.100 -0.057 0.000 0.796 358 G HN 0.431 nan 8.290 nan 0.000 0.568 359 K N 0.332 120.670 120.400 -0.104 0.000 1.996 359 K HA 0.132 4.452 4.320 -0.001 0.000 0.216 359 K C 1.071 177.596 176.600 -0.125 0.000 1.022 359 K CA 0.066 56.295 56.287 -0.098 0.000 1.007 359 K CB -1.277 31.190 32.500 -0.054 0.000 0.946 359 K HN 0.325 nan 8.250 nan 0.000 0.447 360 L N 2.232 123.348 121.223 -0.177 0.000 2.615 360 L HA 0.052 4.392 4.340 -0.001 0.000 0.284 360 L C -0.386 176.370 176.870 -0.190 0.000 1.237 360 L CA -0.266 54.364 54.840 -0.350 0.000 0.905 360 L CB -0.642 41.137 42.059 -0.466 0.000 1.149 360 L HN 0.303 nan 8.230 nan 0.000 0.499 361 N N 3.002 121.587 118.700 -0.191 0.000 2.602 361 N HA 0.237 4.976 4.740 -0.001 0.000 0.238 361 N C 0.270 175.712 175.510 -0.114 0.000 1.084 361 N CA -0.649 52.395 53.050 -0.010 0.000 0.952 361 N CB 1.290 39.719 38.487 -0.096 0.000 1.244 361 N HN 0.558 nan 8.380 nan 0.000 0.512 362 V N 0.921 120.840 119.914 0.009 0.000 3.048 362 V HA -0.052 4.068 4.120 -0.001 0.000 0.241 362 V C 1.868 177.848 176.094 -0.191 0.000 1.129 362 V CA 0.939 63.126 62.300 -0.188 0.000 1.128 362 V CB -1.265 30.308 31.823 -0.417 0.000 0.849 362 V HN 0.757 nan 8.190 nan 0.000 0.475 363 H N -0.068 118.848 119.070 -0.255 0.000 2.478 363 H HA -0.255 4.300 4.556 -0.001 0.000 0.294 363 H C 2.104 177.292 175.328 -0.233 0.000 1.125 363 H CA 2.030 57.911 56.048 -0.279 0.000 1.225 363 H CB -0.581 28.803 29.762 -0.631 0.000 1.360 363 H HN 0.233 nan 8.280 nan 0.000 0.519 364 M N 1.326 120.496 119.600 -0.717 0.000 2.108 364 M HA -0.106 4.373 4.480 -0.001 0.000 0.261 364 M C 0.004 176.149 176.300 -0.257 0.000 1.066 364 M CA 1.433 56.415 55.300 -0.530 0.000 1.107 364 M CB -0.920 31.381 32.600 -0.499 0.000 1.356 364 M HN 0.642 nan 8.290 nan 0.000 0.406 365 N N -0.420 118.166 118.700 -0.190 0.000 2.581 365 N HA 0.334 5.074 4.740 -0.001 0.000 0.279 365 N C -2.868 172.593 175.510 -0.081 0.000 1.124 365 N CA -1.403 51.583 53.050 -0.107 0.000 0.833 365 N CB 0.609 39.054 38.487 -0.069 0.000 1.338 365 N HN -0.109 nan 8.380 nan 0.000 0.533 366 P HA 0.072 nan 4.420 nan 0.000 0.260 366 P C -2.310 174.981 177.300 -0.016 0.000 1.172 366 P CA -0.292 62.782 63.100 -0.043 0.000 0.760 366 P CB 0.124 31.817 31.700 -0.013 0.000 0.773 367 P HA 0.176 nan 4.420 nan 0.000 0.276 367 P C -0.508 176.845 177.300 0.089 0.000 1.252 367 P CA -0.410 62.728 63.100 0.064 0.000 0.802 367 P CB 0.846 32.619 31.700 0.122 0.000 1.035 368 Q N 0.561 120.425 119.800 0.106 0.000 2.267 368 Q HA 0.369 4.709 4.340 -0.001 0.000 0.255 368 Q C -1.136 174.981 176.000 0.194 0.000 0.923 368 Q CA -0.650 55.223 55.803 0.116 0.000 0.925 368 Q CB 0.767 29.552 28.738 0.079 0.000 1.195 368 Q HN 0.176 nan 8.270 nan 0.000 0.417 369 V N 4.561 124.642 119.914 0.279 0.000 2.427 369 V HA 0.333 4.453 4.120 -0.001 0.000 0.286 369 V C -0.318 176.064 176.094 0.479 0.000 1.034 369 V CA -0.546 62.028 62.300 0.456 0.000 0.893 369 V CB 1.387 33.633 31.823 0.705 0.000 0.982 369 V HN 0.716 nan 8.190 nan 0.000 0.452 370 K N 3.858 124.477 120.400 0.365 0.000 2.307 370 K HA 0.743 5.063 4.320 -0.001 0.000 0.263 370 K C -0.228 176.446 176.600 0.123 0.000 0.973 370 K CA -0.385 56.054 56.287 0.254 0.000 0.846 370 K CB 1.397 33.981 32.500 0.140 0.000 1.100 370 K HN 0.831 nan 8.250 nan 0.000 0.438 371 A N 2.736 125.601 122.820 0.074 0.000 2.354 371 A HA 0.479 4.799 4.320 -0.001 0.000 0.269 371 A C -0.409 177.059 177.584 -0.193 0.000 1.109 371 A CA -0.209 51.590 52.037 -0.396 0.000 0.800 371 A CB 1.014 19.741 19.000 -0.455 0.000 1.045 371 A HN 0.713 nan 8.150 nan 0.000 0.489 372 T N 1.969 116.377 114.554 -0.244 0.000 3.395 372 T HA 0.399 4.749 4.350 -0.001 0.000 0.330 372 T C -0.884 173.778 174.700 -0.064 0.000 1.076 372 T CA -0.390 61.657 62.100 -0.089 0.000 1.070 372 T CB 0.216 69.066 68.868 -0.029 0.000 1.119 372 T HN 0.899 nan 8.240 nan 0.000 0.462 373 I N 5.571 126.130 120.570 -0.019 0.000 2.441 373 I HA 0.699 4.868 4.170 -0.001 0.000 0.287 373 I C -1.016 175.147 176.117 0.077 0.000 1.049 373 I CA -0.524 60.787 61.300 0.018 0.000 1.381 373 I CB 0.391 38.382 38.000 -0.016 0.000 1.409 373 I HN 0.738 nan 8.210 nan 0.000 0.523 374 I N 6.265 126.921 120.570 0.144 0.000 2.769 374 I HA 0.319 4.489 4.170 -0.001 0.000 0.298 374 I C -0.061 176.210 176.117 0.257 0.000 1.128 374 I CA -0.165 61.239 61.300 0.174 0.000 1.031 374 I CB 2.361 40.438 38.000 0.128 0.000 1.235 374 I HN 0.719 nan 8.210 nan 0.000 0.423 375 S N 3.835 119.661 115.700 0.210 0.000 2.624 375 S HA 0.196 4.666 4.470 -0.001 0.000 0.263 375 S C 1.086 175.735 174.600 0.082 0.000 1.287 375 S CA 0.127 58.377 58.200 0.082 0.000 0.990 375 S CB 1.029 64.234 63.200 0.007 0.000 0.950 375 S HN 0.798 nan 8.310 nan 0.000 0.561 376 E N 0.171 120.365 120.200 -0.010 0.000 2.058 376 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 376 E C 1.939 178.614 176.600 0.125 0.000 0.997 376 E CA 1.200 57.737 56.400 0.229 0.000 0.801 376 E CB -0.289 29.500 29.700 0.148 0.000 0.746 376 E HN 0.686 nan 8.360 nan 0.000 0.450 377 Q N 0.565 120.382 119.800 0.027 0.000 2.133 377 Q HA -0.248 4.092 4.340 -0.001 0.000 0.208 377 Q C 2.047 178.064 176.000 0.028 0.000 0.991 377 Q CA 2.045 57.857 55.803 0.015 0.000 0.867 377 Q CB -0.175 28.560 28.738 -0.005 0.000 0.911 377 Q HN 0.503 nan 8.270 nan 0.000 0.417 378 Q N -1.196 118.631 119.800 0.046 0.000 2.187 378 Q HA 0.027 4.367 4.340 -0.001 0.000 0.199 378 Q C 1.940 177.969 176.000 0.048 0.000 0.957 378 Q CA 0.956 56.788 55.803 0.050 0.000 0.857 378 Q CB -0.046 28.733 28.738 0.068 0.000 0.929 378 Q HN 0.403 nan 8.270 nan 0.000 0.453 379 A N 1.375 124.235 122.820 0.067 0.000 1.972 379 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 379 A C 1.851 179.412 177.584 -0.038 0.000 1.169 379 A CA 1.358 53.413 52.037 0.030 0.000 0.635 379 A CB -0.224 18.802 19.000 0.043 0.000 0.810 379 A HN 0.160 nan 8.150 nan 0.000 0.446 380 K N 0.194 120.571 120.400 -0.038 0.000 2.026 380 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 380 K C 2.495 179.081 176.600 -0.023 0.000 1.048 380 K CA 1.722 57.981 56.287 -0.048 0.000 0.929 380 K CB -0.208 32.272 32.500 -0.034 0.000 0.713 380 K HN 0.668 nan 8.250 nan 0.000 0.439 381 S N 1.387 117.084 115.700 -0.004 0.000 2.383 381 S HA -0.088 4.382 4.470 -0.001 0.000 0.227 381 S C 1.959 176.563 174.600 0.007 0.000 1.026 381 S CA 0.564 58.766 58.200 0.004 0.000 0.981 381 S CB -0.349 62.858 63.200 0.012 0.000 0.818 381 S HN 0.222 nan 8.310 nan 0.000 0.472 382 L N 1.087 122.317 121.223 0.011 0.000 2.083 382 L HA 0.020 4.360 4.340 -0.001 0.000 0.209 382 L C 2.271 179.146 176.870 0.009 0.000 1.083 382 L CA 1.583 56.434 54.840 0.017 0.000 0.752 382 L CB -0.937 41.141 42.059 0.031 0.000 0.899 382 L HN 0.417 nan 8.230 nan 0.000 0.433 383 L N 0.543 121.762 121.223 -0.006 0.000 1.973 383 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 383 L C 1.364 178.231 176.870 -0.005 0.000 1.073 383 L CA 1.118 55.952 54.840 -0.011 0.000 0.746 383 L CB -0.626 41.412 42.059 -0.035 0.000 0.891 383 L HN 0.307 nan 8.230 nan 0.000 0.433 384 K N 2.213 122.608 120.400 -0.009 0.000 2.081 384 K HA 0.042 4.361 4.320 -0.001 0.000 0.230 384 K C -0.472 176.129 176.600 0.001 0.000 1.199 384 K CA -0.035 56.249 56.287 -0.004 0.000 1.130 384 K CB -1.219 31.276 32.500 -0.007 0.000 1.386 384 K HN 0.427 nan 8.250 nan 0.000 0.280 385 N N 3.768 122.471 118.700 0.005 0.000 2.210 385 N HA -0.169 4.570 4.740 -0.001 0.000 0.285 385 N C -0.419 175.096 175.510 0.007 0.000 1.277 385 N CA 0.182 53.237 53.050 0.008 0.000 1.131 385 N CB -0.036 38.457 38.487 0.010 0.000 1.495 385 N HN 0.653 nan 8.380 nan 0.000 0.483 386 E N 2.209 122.413 120.200 0.008 0.000 3.374 386 E HA 0.171 4.520 4.350 -0.001 0.000 0.223 386 E C -1.123 175.484 176.600 0.011 0.000 1.210 386 E CA -0.564 55.841 56.400 0.008 0.000 0.987 386 E CB -0.034 29.669 29.700 0.006 0.000 1.322 386 E HN 0.345 nan 8.360 nan 0.000 0.404 387 N N 0.561 119.269 118.700 0.013 0.000 2.495 387 N HA 0.318 5.058 4.740 -0.001 0.000 0.294 387 N C -0.290 175.230 175.510 0.016 0.000 1.276 387 N CA -0.187 52.873 53.050 0.017 0.000 0.973 387 N CB 1.072 39.570 38.487 0.019 0.000 1.143 387 N HN 0.337 nan 8.380 nan 0.000 0.589 388 T N -0.746 113.819 114.554 0.018 0.000 3.401 388 T HA 0.217 4.567 4.350 -0.001 0.000 0.341 388 T C 0.222 174.933 174.700 0.019 0.000 1.674 388 T CA -0.691 61.419 62.100 0.017 0.000 1.600 388 T CB 0.242 69.120 68.868 0.016 0.000 0.974 388 T HN 0.246 nan 8.240 nan 0.000 0.672 389 R N 3.011 123.522 120.500 0.019 0.000 4.314 389 R HA -0.086 4.253 4.340 -0.001 0.000 0.237 389 R C 0.500 176.813 176.300 0.023 0.000 0.670 389 R CA 0.569 56.682 56.100 0.022 0.000 0.943 389 R CB -1.294 29.017 30.300 0.019 0.000 0.942 389 R HN 0.882 nan 8.270 nan 0.000 0.334 390 N N 0.320 119.036 118.700 0.026 0.000 2.493 390 N HA -0.132 4.608 4.740 -0.001 0.000 0.313 390 N C -1.008 174.520 175.510 0.029 0.000 0.648 390 N CA -0.007 53.058 53.050 0.025 0.000 0.686 390 N CB 0.065 38.564 38.487 0.021 0.000 2.364 390 N HN 0.342 nan 8.380 nan 0.000 1.326 391 E N 1.664 121.882 120.200 0.031 0.000 2.408 391 E HA 0.321 4.671 4.350 -0.001 0.000 0.259 391 E C 0.190 176.817 176.600 0.045 0.000 1.110 391 E CA -0.167 56.254 56.400 0.036 0.000 0.929 391 E CB 0.277 29.997 29.700 0.035 0.000 0.971 391 E HN 0.390 nan 8.360 nan 0.000 0.438 392 C N -1.216 118.116 119.300 0.053 0.000 2.890 392 C HA 0.355 4.814 4.460 -0.001 0.000 0.264 392 C C -0.119 174.923 174.990 0.087 0.000 0.934 392 C CA -1.097 57.961 59.018 0.067 0.000 1.016 392 C CB -1.047 26.724 27.740 0.051 0.000 1.704 392 C HN 0.532 nan 8.230 nan 0.000 0.671 393 S N 1.591 117.355 115.700 0.107 0.000 2.945 393 S HA 0.352 4.822 4.470 -0.001 0.000 0.317 393 S C 1.414 176.148 174.600 0.223 0.000 0.836 393 S CA 1.619 59.908 58.200 0.149 0.000 2.148 393 S CB -0.694 62.595 63.200 0.149 0.000 1.289 393 S HN 1.443 nan 8.310 nan 0.000 0.689 394 G N 0.657 109.522 108.800 0.109 0.000 4.073 394 G HA2 0.121 4.080 3.960 -0.001 0.000 0.183 394 G HA3 0.121 4.080 3.960 -0.001 0.000 0.183 394 G C -0.395 174.488 174.900 -0.029 0.000 0.873 394 G CA -0.092 45.009 45.100 0.002 0.000 0.937 394 G HN 0.446 nan 8.290 nan 0.000 0.344 395 E N -0.272 119.934 120.200 0.009 0.000 9.220 395 E HA -0.202 4.148 4.350 -0.001 0.000 0.468 395 E C 0.586 177.187 176.600 0.002 0.000 1.430 395 E CA 0.832 57.236 56.400 0.007 0.000 2.492 395 E CB -1.008 28.694 29.700 0.003 0.000 1.039 395 E HN 1.206 nan 8.360 nan 0.000 0.325 396 I N -1.091 119.485 120.570 0.009 0.000 3.045 396 I HA 0.227 4.397 4.170 -0.001 0.000 0.288 396 I C 0.695 176.827 176.117 0.024 0.000 1.238 396 I CA -0.240 61.070 61.300 0.016 0.000 1.396 396 I CB -0.200 37.810 38.000 0.017 0.000 1.355 396 I HN 0.420 nan 8.210 nan 0.000 0.601 397 L N 1.315 122.560 121.223 0.037 0.000 2.505 397 L HA 0.510 4.850 4.340 -0.001 0.000 0.266 397 L C -0.789 176.106 176.870 0.042 0.000 0.954 397 L CA -0.726 54.151 54.840 0.062 0.000 0.852 397 L CB 1.535 43.663 42.059 0.115 0.000 1.282 397 L HN 0.421 nan 8.230 nan 0.000 0.403 398 N N 3.333 122.050 118.700 0.028 0.000 3.117 398 N HA 0.154 4.894 4.740 -0.001 0.000 0.323 398 N C -0.887 174.617 175.510 -0.011 0.000 1.245 398 N CA 0.357 53.410 53.050 0.006 0.000 1.191 398 N CB -0.857 37.630 38.487 0.001 0.000 1.451 398 N HN 0.826 nan 8.380 nan 0.000 0.555 399 N N -0.344 118.364 118.700 0.013 0.000 3.134 399 N HA 0.156 4.896 4.740 -0.001 0.000 0.235 399 N C -1.994 173.566 175.510 0.083 0.000 1.092 399 N CA -0.501 52.557 53.050 0.013 0.000 1.038 399 N CB 1.019 39.518 38.487 0.019 0.000 1.684 399 N HN 0.085 nan 8.380 nan 0.000 0.551 400 C N 2.488 121.772 119.300 -0.027 0.000 3.149 400 C HA 0.305 4.765 4.460 -0.001 0.000 0.383 400 C C 0.316 175.221 174.990 -0.142 0.000 1.018 400 C CA -1.477 57.555 59.018 0.024 0.000 1.293 400 C CB -1.775 26.019 27.740 0.089 0.000 1.640 400 C HN 0.802 nan 8.230 nan 0.000 0.546 401 C N 0.894 119.938 119.300 -0.426 0.000 2.531 401 C HA 0.967 5.427 4.460 -0.001 0.000 0.369 401 C C 0.105 174.998 174.990 -0.161 0.000 1.258 401 C CA -0.486 58.312 59.018 -0.366 0.000 1.876 401 C CB 0.487 27.877 27.740 -0.583 0.000 2.256 401 C HN 0.689 nan 8.230 nan 0.000 0.510 402 V N 2.823 122.677 119.914 -0.100 0.000 2.509 402 V HA 0.300 4.420 4.120 -0.001 0.000 0.284 402 V C 0.708 176.808 176.094 0.010 0.000 1.047 402 V CA -0.260 62.029 62.300 -0.019 0.000 0.952 402 V CB 1.040 32.850 31.823 -0.021 0.000 0.988 402 V HN 0.924 nan 8.190 nan 0.000 0.469 403 M N 4.300 123.934 119.600 0.056 0.000 2.232 403 M HA 0.318 4.798 4.480 -0.001 0.000 0.321 403 M C 0.165 176.486 176.300 0.036 0.000 1.101 403 M CA 0.448 55.792 55.300 0.074 0.000 1.181 403 M CB 0.373 33.024 32.600 0.084 0.000 1.432 403 M HN 0.882 nan 8.290 nan 0.000 0.457 404 E N 1.735 121.953 120.200 0.030 0.000 2.294 404 E HA 0.196 4.546 4.350 -0.001 0.000 0.272 404 E C -1.944 174.609 176.600 -0.080 0.000 0.896 404 E CA -0.736 55.647 56.400 -0.028 0.000 0.802 404 E CB 0.977 30.623 29.700 -0.089 0.000 1.267 404 E HN 0.644 nan 8.360 nan 0.000 0.406 405 Y N 2.887 123.102 120.300 -0.141 0.000 2.436 405 Y HA 0.165 4.714 4.550 -0.000 0.000 0.336 405 Y C -0.652 175.139 175.900 -0.182 0.000 1.049 405 Y CA 0.076 58.104 58.100 -0.120 0.000 1.294 405 Y CB 0.563 39.007 38.460 -0.027 0.000 1.179 405 Y HN 0.575 nan 8.280 nan 0.000 0.520 406 H N 4.999 123.796 119.070 -0.456 0.000 2.818 406 H HA 0.190 4.745 4.556 -0.001 0.000 0.269 406 H C -0.451 174.450 175.328 -0.713 0.000 1.277 406 H CA -0.909 54.898 56.048 -0.402 0.000 1.290 406 H CB 0.158 29.773 29.762 -0.244 0.000 1.479 406 H HN 0.631 nan 8.280 nan 0.000 0.507 407 Q N 1.590 121.096 119.800 -0.489 0.000 2.342 407 Q HA 0.148 4.487 4.340 -0.001 0.000 0.330 407 Q C 0.703 176.621 176.000 -0.136 0.000 1.117 407 Q CA 0.536 56.217 55.803 -0.203 0.000 1.010 407 Q CB 0.223 29.067 28.738 0.177 0.000 1.204 407 Q HN 0.775 nan 8.270 nan 0.000 0.400 408 A N 1.492 124.259 122.820 -0.088 0.000 2.667 408 A HA -0.209 4.111 4.320 -0.001 0.000 0.298 408 A C 0.583 178.099 177.584 -0.113 0.000 1.483 408 A CA 1.182 53.176 52.037 -0.072 0.000 0.738 408 A CB -2.250 16.728 19.000 -0.037 0.000 1.067 408 A HN 0.868 nan 8.150 nan 0.000 0.451 409 T N -3.136 111.320 114.554 -0.164 0.000 3.285 409 T HA 0.406 4.756 4.350 -0.001 0.000 0.263 409 T C 2.233 176.828 174.700 -0.174 0.000 0.836 409 T CA 1.139 63.147 62.100 -0.153 0.000 0.849 409 T CB -0.139 68.636 68.868 -0.155 0.000 1.252 409 T HN 2.289 nan 8.240 nan 0.000 0.617 410 G N 2.705 111.337 108.800 -0.280 0.000 2.168 410 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.263 410 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.263 410 G C 0.276 175.054 174.900 -0.203 0.000 0.977 410 G CA 0.656 45.616 45.100 -0.232 0.000 0.659 410 G HN 1.131 nan 8.290 nan 0.000 0.533 411 T N -1.004 113.417 114.554 -0.222 0.000 2.727 411 T HA 0.565 4.915 4.350 -0.001 0.000 0.295 411 T C 0.544 175.211 174.700 -0.056 0.000 0.915 411 T CA -0.573 61.473 62.100 -0.091 0.000 1.066 411 T CB 1.663 70.516 68.868 -0.025 0.000 0.891 411 T HN 0.518 nan 8.240 nan 0.000 0.516 412 L N 4.001 125.233 121.223 0.016 0.000 2.375 412 L HA 0.261 4.600 4.340 -0.001 0.000 0.276 412 L C 0.453 177.348 176.870 0.042 0.000 1.162 412 L CA -0.305 54.577 54.840 0.070 0.000 0.991 412 L CB -0.102 42.017 42.059 0.100 0.000 1.315 412 L HN 0.763 nan 8.230 nan 0.000 0.431 413 S N 2.326 118.054 115.700 0.047 0.000 2.655 413 S HA 0.731 5.200 4.470 -0.001 0.000 0.265 413 S C -0.012 174.631 174.600 0.072 0.000 1.240 413 S CA -0.352 57.871 58.200 0.039 0.000 0.986 413 S CB 1.551 64.876 63.200 0.208 0.000 0.985 413 S HN 0.676 nan 8.310 nan 0.000 0.562 414 A N 1.810 124.648 122.820 0.030 0.000 2.550 414 A HA 0.528 4.847 4.320 -0.001 0.000 0.282 414 A C -1.667 176.024 177.584 0.178 0.000 1.071 414 A CA -0.690 51.455 52.037 0.180 0.000 0.838 414 A CB 0.195 19.368 19.000 0.288 0.000 1.361 414 A HN 0.811 nan 8.150 nan 0.000 0.408 415 H N 1.044 120.211 119.070 0.163 0.000 2.517 415 H HA 0.525 5.080 4.556 -0.001 0.000 0.317 415 H C -1.058 174.399 175.328 0.215 0.000 1.080 415 H CA -0.640 55.528 56.048 0.201 0.000 1.301 415 H CB 0.577 30.402 29.762 0.105 0.000 1.425 415 H HN 0.480 nan 8.280 nan 0.000 0.471 416 F N 3.272 123.301 119.950 0.132 0.000 2.467 416 F HA 0.224 4.750 4.527 -0.001 0.000 0.349 416 F C 1.229 177.046 175.800 0.028 0.000 1.182 416 F CA -0.708 57.343 58.000 0.085 0.000 1.279 416 F CB 0.204 39.278 39.000 0.123 0.000 1.626 416 F HN 0.532 nan 8.300 nan 0.000 0.596 417 R N 0.390 120.975 120.500 0.141 0.000 2.313 417 R HA 0.117 4.457 4.340 -0.001 0.000 0.199 417 R C -0.514 175.796 176.300 0.016 0.000 0.958 417 R CA 0.285 56.437 56.100 0.087 0.000 1.047 417 R CB -0.369 29.976 30.300 0.076 0.000 0.955 417 R HN 0.451 nan 8.270 nan 0.000 0.481 418 N N 0.809 119.491 118.700 -0.029 0.000 2.824 418 N HA 0.139 4.878 4.740 -0.001 0.000 0.224 418 N C -0.832 174.578 175.510 -0.166 0.000 1.418 418 N CA -0.300 52.697 53.050 -0.088 0.000 0.743 418 N CB 0.425 38.886 38.487 -0.043 0.000 1.395 418 N HN -0.028 nan 8.380 nan 0.000 0.548 419 M N 0.368 119.728 119.600 -0.399 0.000 2.219 419 M HA 0.449 4.929 4.480 -0.001 0.000 0.280 419 M C 0.167 176.235 176.300 -0.386 0.000 1.189 419 M CA -0.319 54.673 55.300 -0.513 0.000 1.010 419 M CB 1.118 33.155 32.600 -0.939 0.000 1.422 419 M HN 0.335 nan 8.290 nan 0.000 0.504 420 S N 0.453 116.115 115.700 -0.063 0.000 2.543 420 S HA 0.512 4.982 4.470 -0.001 0.000 0.273 420 S C -1.555 173.199 174.600 0.258 0.000 1.152 420 S CA -0.797 57.520 58.200 0.195 0.000 0.910 420 S CB 1.163 64.408 63.200 0.076 0.000 1.105 420 S HN 0.497 nan 8.310 nan 0.000 0.465 421 L N 3.360 124.726 121.223 0.238 0.000 2.360 421 L HA 0.698 5.038 4.340 -0.001 0.000 0.271 421 L C -0.439 176.448 176.870 0.028 0.000 1.057 421 L CA -0.172 54.723 54.840 0.092 0.000 0.803 421 L CB 1.497 43.547 42.059 -0.016 0.000 1.207 421 L HN 0.785 nan 8.230 nan 0.000 0.445 422 K N 2.415 122.810 120.400 -0.008 0.000 2.543 422 K HA 0.564 4.884 4.320 -0.001 0.000 0.255 422 K C -1.129 175.446 176.600 -0.043 0.000 0.934 422 K CA -0.873 55.404 56.287 -0.016 0.000 0.810 422 K CB 2.721 35.222 32.500 0.002 0.000 1.315 422 K HN 0.522 nan 8.250 nan 0.000 0.433 434 S N -2.400 113.330 115.700 0.050 0.000 2.595 434 S HA 0.262 4.732 4.470 -0.001 0.000 0.270 434 S C 0.592 175.234 174.600 0.070 0.000 1.145 434 S CA -0.674 57.569 58.200 0.071 0.000 0.825 434 S CB 1.668 64.930 63.200 0.103 0.000 1.107 434 S HN -0.121 nan 8.310 nan 0.000 0.461 435 V N 0.989 120.962 119.914 0.098 0.000 2.515 435 V HA -0.094 4.026 4.120 -0.001 0.000 0.250 435 V C 2.631 178.811 176.094 0.144 0.000 1.058 435 V CA 2.446 64.824 62.300 0.130 0.000 1.064 435 V CB -0.661 31.257 31.823 0.159 0.000 0.675 435 V HN 1.067 nan 8.190 nan 0.000 0.461 436 T N -0.962 113.684 114.554 0.152 0.000 3.072 436 T HA -0.068 4.282 4.350 -0.001 0.000 0.266 436 T C 1.408 176.169 174.700 0.102 0.000 1.127 436 T CA 1.030 63.221 62.100 0.151 0.000 1.107 436 T CB -0.126 68.864 68.868 0.203 0.000 0.910 436 T HN 0.613 nan 8.240 nan 0.000 0.513 437 E N 0.203 120.439 120.200 0.060 0.000 2.526 437 E HA 0.139 4.489 4.350 -0.001 0.000 0.208 437 E C -0.024 176.513 176.600 -0.105 0.000 0.997 437 E CA -0.122 56.259 56.400 -0.031 0.000 0.961 437 E CB 0.576 30.255 29.700 -0.035 0.000 1.030 437 E HN 0.486 nan 8.360 nan 0.000 0.483 438 E N 2.120 122.282 120.200 -0.064 0.000 2.220 438 E HA 0.063 4.413 4.350 -0.001 0.000 0.272 438 E C -0.671 175.763 176.600 -0.276 0.000 1.099 438 E CA 0.245 56.539 56.400 -0.177 0.000 0.907 438 E CB 0.507 30.179 29.700 -0.046 0.000 1.022 438 E HN -0.062 nan 8.360 nan 0.000 0.428 439 K N 3.167 123.310 120.400 -0.429 0.000 2.201 439 K HA 0.354 4.673 4.320 -0.001 0.000 0.278 439 K C -0.858 175.349 176.600 -0.656 0.000 1.027 439 K CA -0.246 55.767 56.287 -0.456 0.000 0.909 439 K CB 0.782 32.973 32.500 -0.514 0.000 1.062 439 K HN 0.259 nan 8.250 nan 0.000 0.465 440 F N -0.110 119.691 119.950 -0.249 0.000 2.593 440 F HA 0.429 4.955 4.527 -0.001 0.000 0.320 440 F C 0.502 176.191 175.800 -0.185 0.000 1.060 440 F CA -0.860 57.049 58.000 -0.152 0.000 0.940 440 F CB 2.302 41.246 39.000 -0.094 0.000 1.268 440 F HN 0.276 nan 8.300 nan 0.000 0.475 441 T N 0.955 115.611 114.554 0.170 0.000 2.893 441 T HA 0.622 4.971 4.350 -0.001 0.000 0.293 441 T C -1.551 173.250 174.700 0.168 0.000 1.027 441 T CA -0.602 61.601 62.100 0.171 0.000 0.988 441 T CB 1.135 70.237 68.868 0.390 0.000 1.043 441 T HN 0.363 nan 8.240 nan 0.000 0.461 442 V N 5.901 125.908 119.914 0.154 0.000 2.432 442 V HA 0.422 4.542 4.120 -0.001 0.000 0.271 442 V C 0.353 176.517 176.094 0.117 0.000 1.046 442 V CA -0.719 61.636 62.300 0.092 0.000 0.945 442 V CB 0.601 32.502 31.823 0.130 0.000 0.992 442 V HN 0.823 nan 8.190 nan 0.000 0.471 443 L N 5.939 127.157 121.223 -0.009 0.000 2.292 443 L HA 0.608 4.948 4.340 -0.001 0.000 0.284 443 L C -0.933 175.872 176.870 -0.108 0.000 1.065 443 L CA 0.352 55.233 54.840 0.068 0.000 0.806 443 L CB 0.744 42.846 42.059 0.070 0.000 1.175 443 L HN 0.457 nan 8.230 nan 0.000 0.431 444 F N 3.623 123.639 119.950 0.110 0.000 2.375 444 F HA 0.425 4.951 4.527 -0.001 0.000 0.361 444 F C -0.059 175.940 175.800 0.332 0.000 1.117 444 F CA -0.560 57.539 58.000 0.166 0.000 1.037 444 F CB 1.130 40.168 39.000 0.063 0.000 1.192 444 F HN 0.541 nan 8.300 nan 0.000 0.452 445 E N 1.064 121.466 120.200 0.337 0.000 2.212 445 E HA 0.773 5.123 4.350 -0.001 0.000 0.268 445 E C -0.993 175.712 176.600 0.176 0.000 0.902 445 E CA -1.016 55.517 56.400 0.221 0.000 0.779 445 E CB 2.428 32.198 29.700 0.117 0.000 1.172 445 E HN 0.356 nan 8.360 nan 0.000 0.409 446 S N 1.689 117.390 115.700 0.001 0.000 2.570 446 S HA 0.327 4.797 4.470 -0.001 0.000 0.270 446 S C -1.626 172.947 174.600 -0.045 0.000 1.149 446 S CA -0.620 57.597 58.200 0.028 0.000 0.837 446 S CB 1.891 65.116 63.200 0.042 0.000 1.124 446 S HN 0.621 nan 8.310 nan 0.000 0.465 447 Q N 1.286 121.126 119.800 0.067 0.000 2.416 447 Q HA 0.768 5.108 4.340 -0.001 0.000 0.281 447 Q C -1.821 174.257 176.000 0.130 0.000 1.067 447 Q CA -0.811 54.959 55.803 -0.056 0.000 0.809 447 Q CB 1.984 30.705 28.738 -0.028 0.000 1.418 447 Q HN 0.825 nan 8.270 nan 0.000 0.411 448 F N -2.026 117.936 119.950 0.020 0.000 3.008 448 F HA 0.421 4.948 4.527 -0.000 0.000 0.335 448 F C -1.823 174.004 175.800 0.046 0.000 1.116 448 F CA -1.101 56.913 58.000 0.024 0.000 0.877 448 F CB 0.238 39.251 39.000 0.022 0.000 1.420 448 F HN 0.357 nan 8.300 nan 0.000 0.450 449 S N 0.578 116.479 115.700 0.335 0.000 2.537 449 S HA 0.875 5.345 4.470 -0.001 0.000 0.301 449 S C -1.147 173.637 174.600 0.308 0.000 1.092 449 S CA -0.870 57.453 58.200 0.206 0.000 1.048 449 S CB 1.973 65.219 63.200 0.077 0.000 1.053 449 S HN 0.781 nan 8.310 nan 0.000 0.501 450 V N 1.838 121.900 119.914 0.248 0.000 2.483 450 V HA 0.850 4.970 4.120 -0.001 0.000 0.295 450 V C 0.945 177.054 176.094 0.026 0.000 1.035 450 V CA 0.559 62.948 62.300 0.149 0.000 0.896 450 V CB 0.406 32.373 31.823 0.241 0.000 0.986 450 V HN 1.531 nan 8.190 nan 0.000 0.447 451 G N 4.016 112.720 108.800 -0.161 0.000 2.681 451 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.220 451 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.220 451 G C 0.810 175.747 174.900 0.062 0.000 1.353 451 G CA 0.035 45.108 45.100 -0.044 0.000 0.872 451 G HN 0.743 nan 8.290 nan 0.000 0.557 452 S N -0.506 115.276 115.700 0.137 0.000 2.374 452 S HA -0.156 4.314 4.470 -0.001 0.000 0.227 452 S C 1.777 176.416 174.600 0.065 0.000 1.037 452 S CA 2.593 60.843 58.200 0.084 0.000 1.024 452 S CB -0.211 63.047 63.200 0.097 0.000 0.861 452 S HN 1.137 nan 8.310 nan 0.000 0.456 453 N N -1.482 117.274 118.700 0.092 0.000 2.378 453 N HA -0.074 4.665 4.740 -0.001 0.000 0.317 453 N C 1.029 176.585 175.510 0.077 0.000 0.705 453 N CA 0.704 53.794 53.050 0.067 0.000 0.671 453 N CB -0.402 38.107 38.487 0.036 0.000 2.307 453 N HN 0.186 nan 8.380 nan 0.000 1.211 454 E N 0.972 121.225 120.200 0.087 0.000 2.360 454 E HA -0.297 4.053 4.350 -0.001 0.000 0.251 454 E C -0.090 176.510 176.600 -0.000 0.000 1.042 454 E CA 1.201 57.630 56.400 0.049 0.000 1.063 454 E CB -0.847 28.889 29.700 0.059 0.000 0.970 454 E HN 0.220 nan 8.360 nan 0.000 0.513 455 L N 1.287 122.527 121.223 0.029 0.000 2.410 455 L HA 0.197 4.537 4.340 -0.001 0.000 0.273 455 L C -0.061 176.658 176.870 -0.251 0.000 1.152 455 L CA 0.204 54.959 54.840 -0.141 0.000 0.855 455 L CB 1.343 43.383 42.059 -0.033 0.000 1.129 455 L HN 0.293 nan 8.230 nan 0.000 0.463 456 V N 5.125 124.738 119.914 -0.502 0.000 2.638 456 V HA 0.627 4.747 4.120 -0.001 0.000 0.306 456 V C -1.061 174.608 176.094 -0.709 0.000 1.052 456 V CA -0.442 61.609 62.300 -0.415 0.000 0.885 456 V CB 1.609 33.306 31.823 -0.209 0.000 0.999 456 V HN 0.500 nan 8.190 nan 0.000 0.424 457 F N 3.771 123.520 119.950 -0.335 0.000 2.579 457 F HA 0.685 5.211 4.527 -0.001 0.000 0.324 457 F C 0.088 175.593 175.800 -0.492 0.000 1.058 457 F CA -0.651 57.104 58.000 -0.409 0.000 0.944 457 F CB 2.362 41.061 39.000 -0.502 0.000 1.245 457 F HN 0.540 nan 8.300 nan 0.000 0.477 458 Q N 1.996 121.737 119.800 -0.098 0.000 2.339 458 Q HA 0.611 4.951 4.340 -0.001 0.000 0.268 458 Q C -1.041 174.865 176.000 -0.156 0.000 1.027 458 Q CA -1.013 54.692 55.803 -0.164 0.000 0.759 458 Q CB 2.164 30.852 28.738 -0.084 0.000 1.244 458 Q HN 0.540 nan 8.270 nan 0.000 0.464 459 V N -0.138 119.602 119.914 -0.290 0.000 2.567 459 V HA 0.616 4.735 4.120 -0.001 0.000 0.289 459 V C -0.464 175.525 176.094 -0.175 0.000 1.049 459 V CA -0.554 61.569 62.300 -0.295 0.000 0.969 459 V CB 1.160 32.625 31.823 -0.596 0.000 0.995 459 V HN 0.694 nan 8.190 nan 0.000 0.471 460 K N 1.695 122.125 120.400 0.050 0.000 2.426 460 K HA 0.758 5.077 4.320 -0.001 0.000 0.251 460 K C -0.898 175.916 176.600 0.357 0.000 0.941 460 K CA -0.504 55.906 56.287 0.204 0.000 0.808 460 K CB 2.351 34.926 32.500 0.125 0.000 1.265 460 K HN 0.964 nan 8.250 nan 0.000 0.432 461 T N 1.869 116.665 114.554 0.403 0.000 3.105 461 T HA 0.444 4.794 4.350 -0.001 0.000 0.321 461 T C -1.603 173.255 174.700 0.264 0.000 1.135 461 T CA -0.653 61.623 62.100 0.293 0.000 1.053 461 T CB 0.583 69.575 68.868 0.207 0.000 1.133 461 T HN 0.353 nan 8.240 nan 0.000 0.463 462 L N 3.898 125.235 121.223 0.191 0.000 2.325 462 L HA 0.603 4.943 4.340 -0.001 0.000 0.279 462 L C 0.984 177.978 176.870 0.207 0.000 1.054 462 L CA -0.825 54.141 54.840 0.210 0.000 0.804 462 L CB 1.836 43.992 42.059 0.161 0.000 1.200 462 L HN 0.811 nan 8.230 nan 0.000 0.436 463 S N 3.112 118.966 115.700 0.257 0.000 2.603 463 S HA 0.456 4.926 4.470 -0.001 0.000 0.268 463 S C 0.059 174.770 174.600 0.185 0.000 1.317 463 S CA -0.857 57.461 58.200 0.196 0.000 1.012 463 S CB 0.690 64.035 63.200 0.242 0.000 0.926 463 S HN 0.434 nan 8.310 nan 0.000 0.539 464 L N 1.658 122.950 121.223 0.115 0.000 2.489 464 L HA 0.236 4.576 4.340 -0.001 0.000 0.285 464 L C -1.947 174.960 176.870 0.062 0.000 1.259 464 L CA -1.530 53.375 54.840 0.108 0.000 0.828 464 L CB -0.422 41.658 42.059 0.034 0.000 1.094 464 L HN 0.531 nan 8.230 nan 0.000 0.524 465 P HA 0.181 nan 4.420 nan 0.000 0.272 465 P C -0.923 176.267 177.300 -0.183 0.000 1.230 465 P CA -0.203 62.704 63.100 -0.322 0.000 0.788 465 P CB 0.971 32.294 31.700 -0.629 0.000 0.949 466 V N 1.641 121.451 119.914 -0.172 0.000 2.876 466 V HA 0.354 4.474 4.120 -0.001 0.000 0.312 466 V C -0.599 175.478 176.094 -0.028 0.000 1.085 466 V CA -0.746 61.503 62.300 -0.085 0.000 0.945 466 V CB 2.718 34.499 31.823 -0.069 0.000 1.017 466 V HN 0.153 nan 8.190 nan 0.000 0.428 467 V N 4.854 124.747 119.914 -0.035 0.000 2.350 467 V HA 0.410 4.529 4.120 -0.001 0.000 0.285 467 V C -0.271 175.803 176.094 -0.033 0.000 1.014 467 V CA -0.634 61.676 62.300 0.017 0.000 0.831 467 V CB 1.663 33.477 31.823 -0.015 0.000 1.000 467 V HN 0.583 nan 8.190 nan 0.000 0.433 468 V N 6.766 126.679 119.914 -0.003 0.000 2.461 468 V HA 0.473 4.593 4.120 -0.001 0.000 0.275 468 V C -0.010 176.023 176.094 -0.102 0.000 1.047 468 V CA -0.317 61.892 62.300 -0.151 0.000 0.955 468 V CB 1.161 32.754 31.823 -0.383 0.000 0.988 468 V HN 0.812 nan 8.190 nan 0.000 0.471 469 I N 3.136 123.605 120.570 -0.168 0.000 2.411 469 I HA 0.651 4.821 4.170 -0.001 0.000 0.284 469 I C -0.559 175.511 176.117 -0.077 0.000 1.012 469 I CA -0.718 60.425 61.300 -0.261 0.000 1.119 469 I CB 1.834 39.430 38.000 -0.672 0.000 1.261 469 I HN 0.328 nan 8.210 nan 0.000 0.448 470 V N 6.786 126.791 119.914 0.152 0.000 2.318 470 V HA 0.569 4.689 4.120 -0.001 0.000 0.271 470 V C -0.859 175.446 176.094 0.352 0.000 1.030 470 V CA 0.524 62.929 62.300 0.176 0.000 0.844 470 V CB 0.403 32.278 31.823 0.086 0.000 1.015 470 V HN 0.887 nan 8.190 nan 0.000 0.460 471 H N 2.823 121.892 119.070 -0.002 0.000 3.161 471 H HA 0.685 5.241 4.556 -0.001 0.000 0.285 471 H C 0.697 176.026 175.328 0.001 0.000 1.588 471 H CA 0.189 56.239 56.048 0.002 0.000 1.218 471 H CB 1.577 31.337 29.762 -0.003 0.000 1.841 471 H HN 0.506 nan 8.280 nan 0.000 0.623 472 G N -0.567 108.295 108.800 0.103 0.000 2.558 472 G HA2 0.292 4.252 3.960 -0.001 0.000 0.218 472 G HA3 0.292 4.252 3.960 -0.001 0.000 0.218 472 G C -0.564 174.408 174.900 0.120 0.000 1.567 472 G CA 0.309 45.456 45.100 0.078 0.000 0.950 472 G HN 0.388 nan 8.290 nan 0.000 0.517 473 S N -0.569 115.201 115.700 0.117 0.000 2.720 473 S HA 0.476 4.946 4.470 -0.001 0.000 0.278 473 S C -1.066 173.605 174.600 0.118 0.000 1.172 473 S CA -0.420 57.831 58.200 0.084 0.000 1.019 473 S CB 1.873 65.049 63.200 -0.040 0.000 1.049 473 S HN 0.359 nan 8.310 nan 0.000 0.483 474 Q N 1.668 121.602 119.800 0.224 0.000 2.656 474 Q HA 0.262 4.602 4.340 -0.001 0.000 0.389 474 Q C 0.399 176.380 176.000 -0.032 0.000 0.883 474 Q CA -0.217 55.672 55.803 0.143 0.000 1.056 474 Q CB 0.486 29.451 28.738 0.377 0.000 1.391 474 Q HN 0.617 nan 8.270 nan 0.000 0.399 475 D N -0.092 120.207 120.400 -0.168 0.000 2.158 475 D HA -0.215 4.424 4.640 -0.001 0.000 0.197 475 D C 0.847 177.186 176.300 0.064 0.000 0.995 475 D CA 1.475 55.406 54.000 -0.116 0.000 0.846 475 D CB 0.365 41.062 40.800 -0.171 0.000 0.941 475 D HN 0.635 nan 8.370 nan 0.000 0.456 476 H N 0.186 119.358 119.070 0.171 0.000 2.290 476 H HA -0.058 4.497 4.556 -0.001 0.000 0.298 476 H C 2.107 177.688 175.328 0.421 0.000 1.087 476 H CA 0.935 57.161 56.048 0.297 0.000 1.291 476 H CB 0.098 29.977 29.762 0.194 0.000 1.369 476 H HN 0.080 nan 8.280 nan 0.000 0.492 477 N N 0.447 119.391 118.700 0.407 0.000 2.188 477 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 477 N C 2.071 177.716 175.510 0.226 0.000 1.018 477 N CA 0.977 54.218 53.050 0.319 0.000 0.858 477 N CB -0.183 38.464 38.487 0.268 0.000 0.989 477 N HN 0.330 nan 8.380 nan 0.000 0.426 478 A N 0.379 123.299 122.820 0.167 0.000 1.873 478 A HA -0.110 4.210 4.320 -0.001 0.000 0.215 478 A C 2.342 179.976 177.584 0.084 0.000 1.186 478 A CA 1.840 53.931 52.037 0.090 0.000 0.616 478 A CB -1.199 17.809 19.000 0.014 0.000 0.823 478 A HN 0.250 nan 8.150 nan 0.000 0.442 479 T N -0.453 114.182 114.554 0.135 0.000 2.946 479 T HA 0.008 4.358 4.350 -0.001 0.000 0.271 479 T C 1.813 176.511 174.700 -0.004 0.000 1.104 479 T CA 1.480 63.663 62.100 0.138 0.000 1.114 479 T CB -0.388 68.649 68.868 0.281 0.000 0.867 479 T HN 0.553 nan 8.240 nan 0.000 0.513 480 A N 0.450 123.179 122.820 -0.151 0.000 1.843 480 A HA -0.006 4.314 4.320 -0.001 0.000 0.213 480 A C 2.545 180.194 177.584 0.109 0.000 1.202 480 A CA 2.016 53.797 52.037 -0.426 0.000 0.607 480 A CB -1.387 17.180 19.000 -0.721 0.000 0.847 480 A HN 0.529 nan 8.150 nan 0.000 0.445 481 T N -1.221 113.462 114.554 0.215 0.000 2.897 481 T HA -0.097 4.253 4.350 -0.001 0.000 0.271 481 T C 1.642 176.330 174.700 -0.021 0.000 1.084 481 T CA 1.873 63.994 62.100 0.034 0.000 1.123 481 T CB -0.479 68.324 68.868 -0.108 0.000 0.865 481 T HN 0.047 nan 8.240 nan 0.000 0.496 482 V N 1.512 121.423 119.914 -0.005 0.000 2.302 482 V HA 0.006 4.125 4.120 -0.001 0.000 0.243 482 V C 2.623 178.699 176.094 -0.029 0.000 1.036 482 V CA 1.284 63.565 62.300 -0.031 0.000 1.020 482 V CB -0.694 31.112 31.823 -0.028 0.000 0.657 482 V HN 0.421 nan 8.190 nan 0.000 0.453 483 L N -0.804 120.403 121.223 -0.028 0.000 1.978 483 L HA -0.264 4.076 4.340 -0.001 0.000 0.218 483 L C 2.244 179.028 176.870 -0.144 0.000 1.075 483 L CA 2.661 57.456 54.840 -0.074 0.000 0.767 483 L CB -1.118 40.884 42.059 -0.094 0.000 0.890 483 L HN 0.514 nan 8.230 nan 0.000 0.434 484 W N 0.891 122.060 121.300 -0.217 0.000 2.342 484 W HA -0.240 4.420 4.660 -0.001 0.000 0.297 484 W C 2.651 179.032 176.519 -0.231 0.000 1.213 484 W CA 1.977 59.190 57.345 -0.220 0.000 1.251 484 W CB -0.227 29.299 29.460 0.111 0.000 1.136 484 W HN 0.362 nan 8.180 nan 0.000 0.526 485 D N -0.750 119.690 120.400 0.067 0.000 2.123 485 D HA -0.166 4.474 4.640 -0.001 0.000 0.200 485 D C 1.485 177.735 176.300 -0.084 0.000 0.976 485 D CA 1.364 55.375 54.000 0.019 0.000 0.831 485 D CB -0.367 40.430 40.800 -0.005 0.000 0.974 485 D HN 0.314 nan 8.370 nan 0.000 0.469 486 N N 0.052 118.667 118.700 -0.143 0.000 2.142 486 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 486 N C 1.925 177.279 175.510 -0.261 0.000 1.023 486 N CA 1.013 53.967 53.050 -0.160 0.000 0.852 486 N CB 0.021 38.424 38.487 -0.140 0.000 0.998 486 N HN 0.116 nan 8.380 nan 0.000 0.424 487 A N 0.914 123.431 122.820 -0.505 0.000 1.841 487 A HA -0.060 4.259 4.320 -0.001 0.000 0.214 487 A C 1.489 178.747 177.584 -0.544 0.000 1.195 487 A CA 1.185 52.768 52.037 -0.757 0.000 0.611 487 A CB -0.779 17.279 19.000 -1.570 0.000 0.835 487 A HN 0.313 nan 8.150 nan 0.000 0.443 488 F N 0.170 119.971 119.950 -0.247 0.000 2.727 488 F HA 0.436 4.963 4.527 -0.000 0.000 0.302 488 F C 1.341 177.057 175.800 -0.141 0.000 1.097 488 F CA -0.167 57.672 58.000 -0.269 0.000 1.330 488 F CB 0.022 38.711 39.000 -0.519 0.000 1.084 488 F HN 0.165 nan 8.300 nan 0.000 0.578 489 A N 1.371 124.205 122.820 0.022 0.000 2.553 489 A HA -0.016 4.304 4.320 -0.001 0.000 0.258 489 A C 0.338 177.940 177.584 0.030 0.000 1.069 489 A CA -0.050 52.012 52.037 0.041 0.000 0.767 489 A CB -0.268 18.753 19.000 0.034 0.000 0.997 489 A HN 0.233 nan 8.150 nan 0.000 0.512 490 E N 2.649 122.869 120.200 0.033 0.000 2.415 490 E HA 0.288 4.638 4.350 -0.001 0.000 0.262 490 E C -2.296 174.310 176.600 0.011 0.000 1.038 490 E CA -1.529 54.882 56.400 0.018 0.000 0.921 490 E CB 0.182 29.891 29.700 0.016 0.000 0.950 490 E HN 0.425 nan 8.360 nan 0.000 0.438 491 P HA 0.153 nan 4.420 nan 0.000 0.271 491 P C 0.053 177.354 177.300 0.001 0.000 1.220 491 P CA 0.592 63.696 63.100 0.007 0.000 0.768 491 P CB 0.793 32.498 31.700 0.008 0.000 0.848 492 G N 2.608 111.406 108.800 -0.003 0.000 2.179 492 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.257 492 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.257 492 G C -0.034 174.851 174.900 -0.026 0.000 1.010 492 G CA -0.181 44.911 45.100 -0.013 0.000 0.736 492 G HN 0.696 nan 8.290 nan 0.000 0.513 493 R N -0.499 119.986 120.500 -0.026 0.000 2.502 493 R HA 0.439 4.779 4.340 -0.001 0.000 0.292 493 R C 0.742 176.991 176.300 -0.085 0.000 0.998 493 R CA -0.169 55.910 56.100 -0.036 0.000 1.056 493 R CB 0.659 30.951 30.300 -0.013 0.000 0.939 493 R HN 0.767 nan 8.270 nan 0.000 0.411 494 V N 6.413 126.280 119.914 -0.079 0.000 2.539 494 V HA -0.053 4.067 4.120 -0.001 0.000 0.294 494 V C -1.288 174.682 176.094 -0.206 0.000 0.994 494 V CA -0.655 61.577 62.300 -0.113 0.000 1.169 494 V CB 0.156 31.937 31.823 -0.069 0.000 0.898 494 V HN 0.796 nan 8.190 nan 0.000 0.471 495 P HA -0.294 nan 4.420 nan 0.000 0.241 495 P C 0.437 177.208 177.300 -0.881 0.000 0.753 495 P CA 2.496 65.104 63.100 -0.820 0.000 1.066 495 P CB -0.206 30.965 31.700 -0.882 0.000 0.755 496 F N -2.391 117.548 119.950 -0.019 0.000 2.963 496 F HA 0.486 5.013 4.527 -0.001 0.000 0.321 496 F C 0.738 176.525 175.800 -0.022 0.000 1.234 496 F CA -0.716 57.268 58.000 -0.027 0.000 1.296 496 F CB -0.131 38.840 39.000 -0.050 0.000 0.981 496 F HN -0.097 nan 8.300 nan 0.000 0.507 497 A N 1.681 124.539 122.820 0.063 0.000 2.410 497 A HA 0.529 4.849 4.320 -0.001 0.000 0.292 497 A C 0.186 177.826 177.584 0.093 0.000 1.232 497 A CA -0.353 51.718 52.037 0.057 0.000 0.893 497 A CB -0.492 18.518 19.000 0.017 0.000 1.131 497 A HN 0.285 nan 8.150 nan 0.000 0.530 498 V N 1.325 121.313 119.914 0.124 0.000 2.850 498 V HA 0.676 4.796 4.120 -0.001 0.000 0.315 498 V C -2.264 173.962 176.094 0.221 0.000 1.064 498 V CA -2.289 60.131 62.300 0.201 0.000 0.979 498 V CB 0.494 32.491 31.823 0.290 0.000 1.039 498 V HN 0.671 nan 8.190 nan 0.000 0.452 499 P HA 0.223 nan 4.420 nan 0.000 0.272 499 P C -0.169 177.414 177.300 0.472 0.000 1.248 499 P CA 0.142 63.391 63.100 0.248 0.000 0.799 499 P CB 0.589 32.305 31.700 0.028 0.000 0.997 500 D N -1.914 118.697 120.400 0.351 0.000 2.597 500 D HA 0.025 4.664 4.640 -0.001 0.000 0.261 500 D C 0.062 176.649 176.300 0.478 0.000 1.023 500 D CA 0.531 54.735 54.000 0.340 0.000 0.927 500 D CB 0.349 41.245 40.800 0.161 0.000 1.168 500 D HN 0.312 nan 8.370 nan 0.000 0.491 501 K N -0.357 120.231 120.400 0.313 0.000 2.258 501 K HA 0.711 5.031 4.320 -0.001 0.000 0.236 501 K C -1.147 175.476 176.600 0.039 0.000 1.008 501 K CA -1.011 55.428 56.287 0.252 0.000 0.869 501 K CB 2.827 35.422 32.500 0.158 0.000 1.171 501 K HN -0.131 nan 8.250 nan 0.000 0.447 502 V N 1.335 121.209 119.914 -0.067 0.000 3.000 502 V HA 0.154 4.274 4.120 -0.001 0.000 0.300 502 V C -1.439 174.561 176.094 -0.156 0.000 1.251 502 V CA -1.026 61.057 62.300 -0.362 0.000 0.972 502 V CB 2.223 33.426 31.823 -1.034 0.000 1.065 502 V HN 0.575 nan 8.190 nan 0.000 0.431 503 L N 4.671 125.804 121.223 -0.150 0.000 2.410 503 L HA 0.170 4.509 4.340 -0.001 0.000 0.273 503 L C 1.155 178.053 176.870 0.047 0.000 1.152 503 L CA 0.663 55.503 54.840 -0.000 0.000 0.855 503 L CB 0.339 42.389 42.059 -0.016 0.000 1.129 503 L HN 0.908 nan 8.230 nan 0.000 0.463 504 W N 6.377 127.696 121.300 0.032 0.000 2.280 504 W HA -0.248 4.411 4.660 -0.001 0.000 0.332 504 W C -0.824 175.700 176.519 0.008 0.000 1.300 504 W CA 2.081 59.467 57.345 0.069 0.000 1.274 504 W CB -0.985 28.580 29.460 0.175 0.000 1.141 504 W HN 0.539 nan 8.180 nan 0.000 0.474 505 P HA -0.239 nan 4.420 nan 0.000 0.223 505 P C 1.459 178.630 177.300 -0.215 0.000 1.144 505 P CA 2.422 65.416 63.100 -0.175 0.000 0.783 505 P CB -0.489 31.211 31.700 -0.000 0.000 0.771 506 Q N -0.720 118.968 119.800 -0.187 0.000 2.137 506 Q HA -0.029 4.310 4.340 -0.001 0.000 0.198 506 Q C 2.341 178.285 176.000 -0.093 0.000 0.960 506 Q CA 0.593 56.319 55.803 -0.128 0.000 0.847 506 Q CB -1.104 27.557 28.738 -0.129 0.000 0.915 506 Q HN 0.225 nan 8.270 nan 0.000 0.448 507 L N 0.680 121.743 121.223 -0.267 0.000 2.083 507 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 507 L C 2.264 178.882 176.870 -0.420 0.000 1.083 507 L CA 0.975 55.659 54.840 -0.260 0.000 0.752 507 L CB -0.307 41.493 42.059 -0.431 0.000 0.899 507 L HN 0.482 nan 8.230 nan 0.000 0.433 508 C N 0.677 119.590 119.300 -0.646 0.000 2.413 508 C HA -0.195 4.265 4.460 -0.001 0.000 0.276 508 C C 2.561 177.415 174.990 -0.225 0.000 1.236 508 C CA 1.399 60.096 59.018 -0.535 0.000 1.735 508 C CB -0.952 26.475 27.740 -0.522 0.000 2.031 508 C HN 0.682 nan 8.230 nan 0.000 0.474 509 E N 1.262 121.369 120.200 -0.155 0.000 2.285 509 E HA 0.033 4.382 4.350 -0.001 0.000 0.194 509 E C 1.952 178.524 176.600 -0.046 0.000 0.997 509 E CA 1.086 57.446 56.400 -0.067 0.000 0.845 509 E CB -0.233 29.439 29.700 -0.047 0.000 0.782 509 E HN 0.565 nan 8.360 nan 0.000 0.491 510 A N 2.175 124.949 122.820 -0.077 0.000 1.841 510 A HA -0.075 4.245 4.320 -0.001 0.000 0.214 510 A C 2.279 179.881 177.584 0.030 0.000 1.195 510 A CA 1.147 53.131 52.037 -0.088 0.000 0.611 510 A CB -0.855 18.016 19.000 -0.214 0.000 0.835 510 A HN 0.238 nan 8.150 nan 0.000 0.443 511 L N -0.443 120.795 121.223 0.025 0.000 1.978 511 L HA -0.313 4.027 4.340 -0.001 0.000 0.218 511 L C 2.555 179.622 176.870 0.329 0.000 1.075 511 L CA 2.158 57.086 54.840 0.147 0.000 0.767 511 L CB -0.802 41.147 42.059 -0.185 0.000 0.890 511 L HN 0.637 nan 8.230 nan 0.000 0.434 512 N N -0.408 118.395 118.700 0.171 0.000 2.061 512 N HA -0.285 4.455 4.740 -0.001 0.000 0.193 512 N C 1.994 177.647 175.510 0.238 0.000 1.030 512 N CA 1.759 54.927 53.050 0.197 0.000 0.856 512 N CB -0.094 38.447 38.487 0.091 0.000 1.023 512 N HN 0.229 nan 8.380 nan 0.000 0.424 513 M N 0.363 120.053 119.600 0.150 0.000 2.065 513 M HA -0.216 4.263 4.480 -0.001 0.000 0.259 513 M C 2.088 178.464 176.300 0.126 0.000 1.071 513 M CA 1.696 57.059 55.300 0.105 0.000 1.109 513 M CB -0.139 32.486 32.600 0.043 0.000 1.313 513 M HN -0.012 nan 8.290 nan 0.000 0.408 514 K N 0.111 120.614 120.400 0.171 0.000 2.063 514 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 514 K C 1.611 178.327 176.600 0.194 0.000 1.048 514 K CA 1.926 58.332 56.287 0.199 0.000 0.928 514 K CB -0.878 31.812 32.500 0.317 0.000 0.713 514 K HN 0.387 nan 8.250 nan 0.000 0.442 515 F N 1.756 121.793 119.950 0.144 0.000 2.015 515 F HA -0.309 4.217 4.527 -0.001 0.000 0.297 515 F C 1.749 177.500 175.800 -0.081 0.000 1.141 515 F CA 2.132 60.133 58.000 0.002 0.000 1.192 515 F CB -0.311 38.711 39.000 0.036 0.000 0.957 515 F HN -0.022 nan 8.300 nan 0.000 0.491 516 K N 0.419 120.848 120.400 0.048 0.000 2.020 516 K HA -0.244 4.076 4.320 -0.001 0.000 0.212 516 K C 2.277 178.802 176.600 -0.125 0.000 1.050 516 K CA 1.589 57.844 56.287 -0.054 0.000 0.929 516 K CB -1.129 31.425 32.500 0.090 0.000 0.714 516 K HN 0.417 nan 8.250 nan 0.000 0.443 517 A N 1.571 124.358 122.820 -0.055 0.000 1.917 517 A HA -0.270 4.050 4.320 -0.001 0.000 0.219 517 A C 2.161 179.680 177.584 -0.107 0.000 1.182 517 A CA 2.186 54.189 52.037 -0.057 0.000 0.633 517 A CB -0.454 18.537 19.000 -0.016 0.000 0.819 517 A HN 0.415 nan 8.150 nan 0.000 0.448 518 E N -0.393 119.709 120.200 -0.164 0.000 2.051 518 E HA -0.079 4.271 4.350 -0.001 0.000 0.189 518 E C 1.739 178.168 176.600 -0.284 0.000 0.979 518 E CA 1.495 57.779 56.400 -0.194 0.000 0.803 518 E CB -0.153 29.427 29.700 -0.200 0.000 0.761 518 E HN 0.508 nan 8.360 nan 0.000 0.451 519 V N -1.434 118.197 119.914 -0.471 0.000 3.623 519 V HA 0.117 4.237 4.120 -0.001 0.000 0.271 519 V C 0.475 176.407 176.094 -0.269 0.000 1.248 519 V CA 0.488 62.504 62.300 -0.473 0.000 1.156 519 V CB -0.727 30.584 31.823 -0.852 0.000 0.870 519 V HN 0.305 nan 8.190 nan 0.000 0.453 520 Q N 0.586 120.263 119.800 -0.205 0.000 2.443 520 Q HA -0.196 4.144 4.340 -0.001 0.000 0.337 520 Q C 0.133 176.102 176.000 -0.051 0.000 1.401 520 Q CA 0.933 56.674 55.803 -0.104 0.000 0.943 520 Q CB -1.269 27.421 28.738 -0.081 0.000 1.177 520 Q HN 0.900 nan 8.270 nan 0.000 0.394 521 S N -0.204 115.474 115.700 -0.036 0.000 2.564 521 S HA 0.559 5.028 4.470 -0.001 0.000 0.274 521 S C -0.126 174.532 174.600 0.096 0.000 1.124 521 S CA -0.481 57.761 58.200 0.071 0.000 0.869 521 S CB 0.970 64.283 63.200 0.188 0.000 1.105 521 S HN 0.444 nan 8.310 nan 0.000 0.472 522 N N 1.693 120.470 118.700 0.127 0.000 2.346 522 N HA 0.220 4.959 4.740 -0.001 0.000 0.225 522 N C -0.461 175.186 175.510 0.229 0.000 1.144 522 N CA -0.333 52.805 53.050 0.146 0.000 0.837 522 N CB -0.219 38.329 38.487 0.102 0.000 1.069 522 N HN 0.179 nan 8.380 nan 0.000 0.487 523 R N 0.835 121.547 120.500 0.353 0.000 2.419 523 R HA 0.439 4.778 4.340 -0.001 0.000 0.305 523 R C 0.845 177.536 176.300 0.651 0.000 1.242 523 R CA -0.346 56.101 56.100 0.579 0.000 1.105 523 R CB -0.052 30.742 30.300 0.823 0.000 1.116 523 R HN 0.377 nan 8.270 nan 0.000 0.523 524 G N 1.259 110.318 108.800 0.431 0.000 2.563 524 G HA2 0.226 4.186 3.960 -0.001 0.000 0.283 524 G HA3 0.226 4.186 3.960 -0.001 0.000 0.283 524 G C -0.694 174.369 174.900 0.273 0.000 1.309 524 G CA -0.708 44.596 45.100 0.340 0.000 1.022 524 G HN 0.343 nan 8.290 nan 0.000 0.501 525 L N 1.837 123.080 121.223 0.034 0.000 2.600 525 L HA 0.178 4.518 4.340 -0.001 0.000 0.278 525 L C 1.702 178.601 176.870 0.048 0.000 1.139 525 L CA -0.212 54.568 54.840 -0.099 0.000 0.933 525 L CB -0.876 41.055 42.059 -0.213 0.000 1.266 525 L HN 0.690 nan 8.230 nan 0.000 0.471 526 T N 0.048 114.673 114.554 0.118 0.000 2.748 526 T HA 0.123 4.473 4.350 -0.001 0.000 0.304 526 T C 1.534 176.301 174.700 0.110 0.000 1.041 526 T CA -0.587 61.591 62.100 0.129 0.000 1.033 526 T CB 0.970 69.930 68.868 0.153 0.000 0.995 526 T HN 0.417 nan 8.240 nan 0.000 0.536 527 K N 0.987 121.455 120.400 0.115 0.000 2.032 527 K HA -0.186 4.133 4.320 -0.001 0.000 0.218 527 K C 2.314 179.001 176.600 0.146 0.000 1.054 527 K CA 2.289 58.650 56.287 0.124 0.000 0.941 527 K CB -0.652 31.919 32.500 0.118 0.000 0.720 527 K HN 0.803 nan 8.250 nan 0.000 0.449 528 E N 0.332 120.622 120.200 0.151 0.000 2.038 528 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 528 E C 1.972 178.694 176.600 0.204 0.000 1.000 528 E CA 1.549 58.055 56.400 0.176 0.000 0.803 528 E CB -0.368 29.432 29.700 0.167 0.000 0.750 528 E HN 0.418 nan 8.360 nan 0.000 0.448 529 N N 0.861 119.662 118.700 0.167 0.000 2.037 529 N HA -0.221 4.519 4.740 -0.001 0.000 0.196 529 N C 2.029 177.617 175.510 0.129 0.000 1.034 529 N CA 1.056 54.162 53.050 0.093 0.000 0.861 529 N CB -0.279 38.110 38.487 -0.163 0.000 1.039 529 N HN 0.064 nan 8.380 nan 0.000 0.427 530 L N 0.699 121.993 121.223 0.118 0.000 2.089 530 L HA -0.219 4.121 4.340 -0.001 0.000 0.213 530 L C 2.230 179.268 176.870 0.280 0.000 1.079 530 L CA 0.997 55.967 54.840 0.216 0.000 0.758 530 L CB -0.478 41.697 42.059 0.193 0.000 0.891 530 L HN 0.144 nan 8.230 nan 0.000 0.433 531 V N -0.427 119.609 119.914 0.203 0.000 2.255 531 V HA -0.311 3.809 4.120 -0.001 0.000 0.243 531 V C 2.200 178.360 176.094 0.110 0.000 1.038 531 V CA 1.901 64.266 62.300 0.108 0.000 1.008 531 V CB -0.627 31.298 31.823 0.170 0.000 0.645 531 V HN 0.398 nan 8.190 nan 0.000 0.449 532 F N 0.815 120.842 119.950 0.128 0.000 2.082 532 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 532 F C 1.904 177.801 175.800 0.163 0.000 1.091 532 F CA 2.097 60.199 58.000 0.170 0.000 1.230 532 F CB -0.554 38.621 39.000 0.291 0.000 0.983 532 F HN 0.072 nan 8.300 nan 0.000 0.485 533 L N 0.461 121.739 121.223 0.091 0.000 1.932 533 L HA -0.207 4.132 4.340 -0.001 0.000 0.217 533 L C 2.948 179.737 176.870 -0.135 0.000 1.077 533 L CA 1.620 56.546 54.840 0.143 0.000 0.765 533 L CB -1.637 40.754 42.059 0.554 0.000 0.888 533 L HN 0.242 nan 8.230 nan 0.000 0.433 534 A N -0.576 122.043 122.820 -0.337 0.000 1.929 534 A HA -0.377 3.942 4.320 -0.001 0.000 0.221 534 A C 2.234 179.451 177.584 -0.612 0.000 1.211 534 A CA 2.535 53.895 52.037 -1.128 0.000 0.657 534 A CB -0.868 16.995 19.000 -1.896 0.000 0.827 534 A HN 0.586 nan 8.150 nan 0.000 0.462 535 Q N -0.978 118.613 119.800 -0.349 0.000 2.020 535 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 535 Q C 2.300 178.193 176.000 -0.178 0.000 0.982 535 Q CA 2.022 57.739 55.803 -0.143 0.000 0.838 535 Q CB -0.221 28.472 28.738 -0.074 0.000 0.899 535 Q HN 0.789 nan 8.270 nan 0.000 0.423 536 K N 0.482 120.695 120.400 -0.311 0.000 2.009 536 K HA -0.202 4.118 4.320 -0.001 0.000 0.210 536 K C 2.091 178.619 176.600 -0.120 0.000 1.049 536 K CA 1.268 57.393 56.287 -0.270 0.000 0.929 536 K CB -0.302 31.894 32.500 -0.508 0.000 0.714 536 K HN 0.193 nan 8.250 nan 0.000 0.440 537 L N 0.639 121.748 121.223 -0.189 0.000 2.017 537 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 537 L C 1.861 178.444 176.870 -0.479 0.000 1.073 537 L CA 1.854 56.424 54.840 -0.450 0.000 0.745 537 L CB -0.846 40.510 42.059 -1.172 0.000 0.894 537 L HN 0.250 nan 8.230 nan 0.000 0.432 538 F N 0.205 119.959 119.950 -0.327 0.000 2.710 538 F HA 0.054 4.580 4.527 -0.001 0.000 0.298 538 F C 1.088 176.824 175.800 -0.106 0.000 1.137 538 F CA 0.386 58.268 58.000 -0.197 0.000 1.444 538 F CB -0.289 38.615 39.000 -0.161 0.000 1.111 538 F HN 0.274 nan 8.300 nan 0.000 0.580 539 N N 1.269 119.987 118.700 0.029 0.000 2.688 539 N HA -0.225 4.515 4.740 -0.001 0.000 0.258 539 N C -1.062 174.475 175.510 0.045 0.000 1.016 539 N CA 0.241 53.300 53.050 0.015 0.000 0.747 539 N CB -0.989 37.496 38.487 -0.004 0.000 0.895 539 N HN 0.182 nan 8.380 nan 0.000 0.543 540 I N -0.742 119.869 120.570 0.069 0.000 2.994 540 I HA 0.394 4.564 4.170 -0.001 0.000 0.306 540 I C 1.077 177.227 176.117 0.055 0.000 1.195 540 I CA -0.591 60.738 61.300 0.048 0.000 1.001 540 I CB 1.762 39.775 38.000 0.023 0.000 1.244 540 I HN 0.102 nan 8.210 nan 0.000 0.437 541 S N 0.816 116.531 115.700 0.026 0.000 2.395 541 S HA 0.025 4.495 4.470 -0.001 0.000 0.225 541 S C 0.667 175.302 174.600 0.059 0.000 1.027 541 S CA 0.254 58.476 58.200 0.037 0.000 0.965 541 S CB -0.325 62.885 63.200 0.016 0.000 0.812 541 S HN 0.688 nan 8.310 nan 0.000 0.482 542 S N 3.037 118.744 115.700 0.012 0.000 3.566 542 S HA -0.137 4.332 4.470 -0.001 0.000 0.426 542 S C 1.043 175.723 174.600 0.133 0.000 1.154 542 S CA 0.424 58.615 58.200 -0.015 0.000 0.946 542 S CB -0.301 62.716 63.200 -0.304 0.000 0.666 542 S HN 0.795 nan 8.310 nan 0.000 0.494 543 N N 1.519 120.326 118.700 0.177 0.000 2.205 543 N HA 0.010 4.749 4.740 -0.001 0.000 0.201 543 N C 0.086 175.775 175.510 0.299 0.000 1.128 543 N CA -0.387 52.789 53.050 0.211 0.000 0.867 543 N CB 0.361 38.931 38.487 0.138 0.000 0.996 543 N HN 0.767 nan 8.380 nan 0.000 0.503 544 H N -1.060 118.075 119.070 0.110 0.000 2.806 544 H HA 0.195 4.751 4.556 -0.001 0.000 0.367 544 H C 0.359 175.784 175.328 0.162 0.000 1.136 544 H CA -1.102 55.019 56.048 0.122 0.000 1.178 544 H CB 1.195 31.004 29.762 0.078 0.000 1.718 544 H HN -0.039 nan 8.280 nan 0.000 0.540 545 L N 1.406 122.684 121.223 0.092 0.000 1.990 545 L HA -0.228 4.111 4.340 -0.001 0.000 0.213 545 L C 2.603 179.509 176.870 0.059 0.000 1.072 545 L CA 2.173 57.106 54.840 0.155 0.000 0.755 545 L CB -0.283 41.881 42.059 0.174 0.000 0.889 545 L HN 0.837 nan 8.230 nan 0.000 0.432 546 E N -0.664 119.477 120.200 -0.098 0.000 2.339 546 E HA -0.302 4.047 4.350 -0.001 0.000 0.201 546 E C 1.274 177.777 176.600 -0.162 0.000 1.015 546 E CA 1.567 57.913 56.400 -0.090 0.000 0.841 546 E CB -0.714 28.940 29.700 -0.076 0.000 0.754 546 E HN 0.585 nan 8.360 nan 0.000 0.508 547 D N 0.787 120.992 120.400 -0.324 0.000 2.133 547 D HA -0.184 4.455 4.640 -0.001 0.000 0.195 547 D C 1.585 177.644 176.300 -0.403 0.000 0.997 547 D CA 1.346 55.098 54.000 -0.414 0.000 0.840 547 D CB -0.525 39.897 40.800 -0.631 0.000 0.947 547 D HN 0.454 nan 8.370 nan 0.000 0.452 548 Y N 0.892 121.060 120.300 -0.219 0.000 2.544 548 Y HA 0.014 4.564 4.550 -0.001 0.000 0.286 548 Y C 1.839 177.701 175.900 -0.063 0.000 1.141 548 Y CA -0.002 57.942 58.100 -0.259 0.000 1.299 548 Y CB -0.332 37.887 38.460 -0.402 0.000 1.030 548 Y HN -0.117 nan 8.280 nan 0.000 0.543 549 N N -0.143 118.627 118.700 0.118 0.000 2.144 549 N HA -0.209 4.531 4.740 -0.001 0.000 0.195 549 N C 1.493 177.039 175.510 0.059 0.000 1.006 549 N CA 1.970 55.078 53.050 0.097 0.000 0.880 549 N CB -0.466 38.044 38.487 0.039 0.000 1.018 549 N HN 0.182 nan 8.380 nan 0.000 0.443 550 S N -0.496 115.205 115.700 0.002 0.000 2.540 550 S HA 0.254 4.724 4.470 -0.001 0.000 0.218 550 S C 0.802 175.396 174.600 -0.010 0.000 0.977 550 S CA -0.253 57.939 58.200 -0.013 0.000 0.918 550 S CB 0.409 63.583 63.200 -0.043 0.000 0.806 550 S HN 0.193 nan 8.310 nan 0.000 0.496 551 M N 1.898 121.487 119.600 -0.019 0.000 2.113 551 M HA 0.213 4.693 4.480 -0.001 0.000 0.288 551 M C 0.323 176.717 176.300 0.157 0.000 1.225 551 M CA 0.284 55.568 55.300 -0.026 0.000 1.148 551 M CB 0.122 32.522 32.600 -0.333 0.000 1.388 551 M HN 0.204 nan 8.290 nan 0.000 0.469 552 S N -0.208 115.651 115.700 0.266 0.000 2.572 552 S HA 0.648 5.118 4.470 -0.001 0.000 0.274 552 S C -1.077 173.722 174.600 0.332 0.000 1.150 552 S CA -1.000 57.352 58.200 0.253 0.000 0.944 552 S CB 1.338 64.622 63.200 0.139 0.000 1.071 552 S HN 0.422 nan 8.310 nan 0.000 0.479 553 V N 2.262 122.339 119.914 0.272 0.000 2.384 553 V HA 0.658 4.778 4.120 -0.001 0.000 0.287 553 V C 0.757 177.003 176.094 0.254 0.000 1.020 553 V CA -0.674 61.751 62.300 0.208 0.000 0.850 553 V CB 1.079 33.023 31.823 0.202 0.000 0.987 553 V HN 1.020 nan 8.190 nan 0.000 0.436 554 S N 4.796 120.617 115.700 0.201 0.000 2.600 554 S HA 0.090 4.559 4.470 -0.001 0.000 0.265 554 S C 1.022 175.762 174.600 0.233 0.000 1.325 554 S CA -0.302 58.035 58.200 0.229 0.000 1.002 554 S CB 0.655 63.937 63.200 0.136 0.000 0.921 554 S HN 0.936 nan 8.310 nan 0.000 0.554 555 W N 3.144 124.360 121.300 -0.141 0.000 2.318 555 W HA -0.212 4.448 4.660 -0.001 0.000 0.313 555 W C 2.013 178.464 176.519 -0.113 0.000 1.221 555 W CA 2.074 59.122 57.345 -0.496 0.000 1.266 555 W CB -1.022 27.956 29.460 -0.804 0.000 1.150 555 W HN 0.918 nan 8.180 nan 0.000 0.496 556 S N 0.670 116.321 115.700 -0.083 0.000 2.447 556 S HA -0.237 4.233 4.470 -0.001 0.000 0.233 556 S C 1.492 176.014 174.600 -0.129 0.000 1.006 556 S CA 1.475 59.588 58.200 -0.144 0.000 0.957 556 S CB -0.642 62.568 63.200 0.017 0.000 0.773 556 S HN 0.570 nan 8.310 nan 0.000 0.507 557 Q N -0.820 118.947 119.800 -0.055 0.000 2.403 557 Q HA 0.299 4.639 4.340 -0.001 0.000 0.203 557 Q C 1.247 177.234 176.000 -0.021 0.000 0.932 557 Q CA 0.322 56.093 55.803 -0.054 0.000 0.945 557 Q CB -0.094 28.605 28.738 -0.064 0.000 1.045 557 Q HN 0.697 nan 8.270 nan 0.000 0.511 558 F N 0.232 120.064 119.950 -0.196 0.000 2.453 558 F HA 0.229 4.755 4.527 -0.001 0.000 0.284 558 F C 0.951 176.672 175.800 -0.132 0.000 1.065 558 F CA 0.726 58.667 58.000 -0.099 0.000 1.411 558 F CB 0.621 39.601 39.000 -0.035 0.000 1.131 558 F HN -0.115 nan 8.300 nan 0.000 0.582 559 N N -1.053 117.314 118.700 -0.554 0.000 2.228 559 N HA 0.123 4.863 4.740 -0.001 0.000 0.237 559 N C 1.016 176.264 175.510 -0.437 0.000 1.382 559 N CA -0.044 52.669 53.050 -0.562 0.000 0.787 559 N CB 0.242 38.257 38.487 -0.787 0.000 1.320 559 N HN 0.106 nan 8.380 nan 0.000 0.507 560 R N 0.372 120.661 120.500 -0.353 0.000 2.013 560 R HA 0.276 4.615 4.340 -0.001 0.000 0.198 560 R C -0.490 175.769 176.300 -0.069 0.000 1.407 560 R CA 0.296 56.307 56.100 -0.149 0.000 1.140 560 R CB 0.043 30.287 30.300 -0.094 0.000 1.011 560 R HN -0.013 nan 8.270 nan 0.000 0.472 561 E N 2.097 122.260 120.200 -0.063 0.000 2.417 561 E HA 0.033 4.383 4.350 -0.001 0.000 0.261 561 E C -0.914 175.672 176.600 -0.023 0.000 1.000 561 E CA 0.240 56.621 56.400 -0.033 0.000 0.919 561 E CB 0.449 30.130 29.700 -0.032 0.000 0.955 561 E HN 0.249 nan 8.360 nan 0.000 0.455 562 N N 2.894 121.585 118.700 -0.015 0.000 2.518 562 N HA 0.054 4.794 4.740 -0.001 0.000 0.266 562 N C -0.202 175.283 175.510 -0.041 0.000 1.196 562 N CA -0.254 52.785 53.050 -0.018 0.000 0.947 562 N CB 0.666 39.141 38.487 -0.020 0.000 1.098 562 N HN 0.296 nan 8.380 nan 0.000 0.450 563 L N 3.453 124.641 121.223 -0.059 0.000 2.490 563 L HA 0.029 4.369 4.340 -0.001 0.000 0.274 563 L C -1.079 175.754 176.870 -0.061 0.000 1.201 563 L CA -1.134 53.688 54.840 -0.030 0.000 0.869 563 L CB 0.215 42.286 42.059 0.020 0.000 1.123 563 L HN 0.339 nan 8.230 nan 0.000 0.484 564 P HA -0.274 nan 4.420 nan 0.000 0.225 564 P C 1.322 178.467 177.300 -0.258 0.000 1.154 564 P CA 1.990 65.016 63.100 -0.124 0.000 0.933 564 P CB 0.113 31.759 31.700 -0.091 0.000 0.790 565 G N -3.663 104.881 108.800 -0.428 0.000 2.484 565 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.218 565 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.218 565 G C -0.027 174.149 174.900 -1.206 0.000 1.130 565 G CA 0.212 44.686 45.100 -1.043 0.000 0.784 565 G HN 0.273 nan 8.290 nan 0.000 0.543 566 W N -1.700 119.447 121.300 -0.255 0.000 2.929 566 W HA 0.490 5.150 4.660 -0.000 0.000 0.345 566 W C 0.277 176.612 176.519 -0.307 0.000 1.151 566 W CA -1.086 56.044 57.345 -0.358 0.000 1.111 566 W CB 1.036 29.925 29.460 -0.952 0.000 1.449 566 W HN -0.325 nan 8.180 nan 0.000 0.572 567 N N 1.305 120.088 118.700 0.137 0.000 2.451 567 N HA 0.097 4.837 4.740 -0.001 0.000 0.264 567 N C -1.379 174.245 175.510 0.190 0.000 1.167 567 N CA -0.003 53.117 53.050 0.116 0.000 0.898 567 N CB 0.194 38.763 38.487 0.136 0.000 1.176 567 N HN 0.404 nan 8.380 nan 0.000 0.507 568 Y N -2.084 118.330 120.300 0.190 0.000 2.605 568 Y HA 0.530 5.080 4.550 -0.000 0.000 0.343 568 Y C 0.530 176.497 175.900 0.111 0.000 1.036 568 Y CA -1.268 56.904 58.100 0.121 0.000 1.065 568 Y CB 0.288 38.800 38.460 0.088 0.000 1.288 568 Y HN -0.162 nan 8.280 nan 0.000 0.481 569 T N -1.643 113.072 114.554 0.268 0.000 2.810 569 T HA 0.194 4.544 4.350 -0.001 0.000 0.277 569 T C 0.501 175.350 174.700 0.249 0.000 0.973 569 T CA -0.213 61.984 62.100 0.162 0.000 0.949 569 T CB 0.694 69.601 68.868 0.065 0.000 1.075 569 T HN 0.800 nan 8.240 nan 0.000 0.537 570 F N -0.142 119.828 119.950 0.034 0.000 2.075 570 F HA 0.011 4.537 4.527 -0.000 0.000 0.297 570 F C 2.248 178.111 175.800 0.105 0.000 1.113 570 F CA 1.504 59.545 58.000 0.069 0.000 1.218 570 F CB -0.265 38.728 39.000 -0.012 0.000 0.984 570 F HN 0.740 nan 8.300 nan 0.000 0.472 571 W N 1.556 122.705 121.300 -0.253 0.000 2.338 571 W HA -0.272 4.388 4.660 -0.000 0.000 0.304 571 W C 2.154 178.590 176.519 -0.139 0.000 1.212 571 W CA 1.925 59.058 57.345 -0.352 0.000 1.264 571 W CB -0.773 28.300 29.460 -0.646 0.000 1.142 571 W HN 0.204 nan 8.180 nan 0.000 0.512 572 Q N -0.355 119.370 119.800 -0.124 0.000 2.047 572 Q HA -0.306 4.033 4.340 -0.001 0.000 0.211 572 Q C 1.895 177.661 176.000 -0.389 0.000 1.005 572 Q CA 3.398 59.079 55.803 -0.203 0.000 0.866 572 Q CB -1.201 27.564 28.738 0.045 0.000 0.938 572 Q HN 0.409 nan 8.270 nan 0.000 0.414 573 W N -0.167 120.869 121.300 -0.440 0.000 2.304 573 W HA -0.298 4.361 4.660 -0.000 0.000 0.328 573 W C 2.019 178.212 176.519 -0.544 0.000 1.242 573 W CA 2.090 59.115 57.345 -0.534 0.000 1.243 573 W CB -0.912 28.336 29.460 -0.354 0.000 1.170 573 W HN 0.234 nan 8.180 nan 0.000 0.460 574 F N 1.244 120.934 119.950 -0.433 0.000 2.192 574 F HA -0.303 4.224 4.527 -0.000 0.000 0.301 574 F C 2.267 177.622 175.800 -0.743 0.000 1.079 574 F CA 2.384 60.103 58.000 -0.468 0.000 1.303 574 F CB -0.613 38.134 39.000 -0.422 0.000 1.024 574 F HN -0.066 nan 8.300 nan 0.000 0.494 575 D N -0.075 119.727 120.400 -0.997 0.000 2.077 575 D HA -0.140 4.500 4.640 -0.001 0.000 0.196 575 D C 2.469 178.288 176.300 -0.801 0.000 0.986 575 D CA 1.716 55.076 54.000 -1.067 0.000 0.829 575 D CB -1.055 39.020 40.800 -1.209 0.000 0.983 575 D HN 0.288 nan 8.370 nan 0.000 0.453 576 G N 0.243 108.563 108.800 -0.801 0.000 2.485 576 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.221 576 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.221 576 G C 1.890 176.354 174.900 -0.726 0.000 1.115 576 G CA 1.168 45.846 45.100 -0.703 0.000 0.751 576 G HN 0.319 nan 8.290 nan 0.000 0.567 577 V N 1.079 120.414 119.914 -0.964 0.000 2.229 577 V HA -0.223 3.897 4.120 -0.001 0.000 0.243 577 V C 2.871 178.533 176.094 -0.720 0.000 1.042 577 V CA 2.213 63.854 62.300 -1.098 0.000 1.000 577 V CB -0.564 30.391 31.823 -1.447 0.000 0.637 577 V HN 0.370 nan 8.190 nan 0.000 0.446 578 M N -0.598 118.612 119.600 -0.650 0.000 2.108 578 M HA -0.267 4.213 4.480 -0.001 0.000 0.257 578 M C 2.210 178.302 176.300 -0.346 0.000 1.071 578 M CA 2.028 57.036 55.300 -0.485 0.000 1.093 578 M CB -0.496 31.847 32.600 -0.428 0.000 1.345 578 M HN 0.319 nan 8.290 nan 0.000 0.403 579 E N 0.136 120.138 120.200 -0.330 0.000 2.007 579 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 579 E C 1.932 178.469 176.600 -0.105 0.000 0.999 579 E CA 1.860 58.145 56.400 -0.190 0.000 0.811 579 E CB -0.366 29.228 29.700 -0.177 0.000 0.762 579 E HN 0.452 nan 8.360 nan 0.000 0.450 580 V N -0.380 119.488 119.914 -0.077 0.000 2.469 580 V HA -0.226 3.894 4.120 -0.001 0.000 0.251 580 V C 2.326 178.575 176.094 0.257 0.000 1.064 580 V CA 1.515 63.914 62.300 0.165 0.000 1.066 580 V CB -0.827 31.142 31.823 0.244 0.000 0.667 580 V HN 0.183 nan 8.190 nan 0.000 0.461 581 L N 0.888 122.151 121.223 0.067 0.000 1.976 581 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 581 L C 2.811 179.677 176.870 -0.007 0.000 1.071 581 L CA 2.552 57.450 54.840 0.097 0.000 0.746 581 L CB -0.484 41.507 42.059 -0.114 0.000 0.890 581 L HN 0.502 nan 8.230 nan 0.000 0.432 582 K N -0.071 120.247 120.400 -0.137 0.000 2.439 582 K HA -0.172 4.148 4.320 -0.001 0.000 0.197 582 K C 1.800 178.310 176.600 -0.150 0.000 1.041 582 K CA 1.193 57.386 56.287 -0.157 0.000 0.970 582 K CB -0.115 32.269 32.500 -0.193 0.000 0.773 582 K HN 0.062 nan 8.250 nan 0.000 0.479 583 K N -0.492 119.827 120.400 -0.135 0.000 2.098 583 K HA -0.016 4.304 4.320 -0.001 0.000 0.203 583 K C 0.874 177.165 176.600 -0.515 0.000 1.051 583 K CA 1.366 57.486 56.287 -0.278 0.000 0.957 583 K CB 0.085 32.467 32.500 -0.196 0.000 0.738 583 K HN 0.449 nan 8.250 nan 0.000 0.447 584 H N -2.959 115.921 119.070 -0.317 0.000 3.266 584 H HA 0.228 4.784 4.556 -0.001 0.000 0.246 584 H C 0.236 175.176 175.328 -0.646 0.000 0.998 584 H CA 0.029 55.724 56.048 -0.587 0.000 1.152 584 H CB 0.763 29.943 29.762 -0.970 0.000 1.466 584 H HN 0.157 nan 8.280 nan 0.000 0.481 585 H N 0.671 119.776 119.070 0.059 0.000 2.512 585 H HA 0.249 4.805 4.556 -0.001 0.000 0.276 585 H C 0.845 176.178 175.328 0.009 0.000 1.126 585 H CA -0.090 56.032 56.048 0.123 0.000 1.060 585 H CB 0.730 30.640 29.762 0.247 0.000 1.646 585 H HN 0.266 nan 8.280 nan 0.000 0.571 586 K N 0.987 121.367 120.400 -0.035 0.000 2.020 586 K HA -0.134 4.186 4.320 -0.001 0.000 0.212 586 K C -0.738 175.838 176.600 -0.040 0.000 1.050 586 K CA 1.620 57.885 56.287 -0.037 0.000 0.929 586 K CB -0.990 31.452 32.500 -0.097 0.000 0.714 586 K HN 0.245 nan 8.250 nan 0.000 0.443 587 P HA -0.146 nan 4.420 nan 0.000 0.214 587 P C 0.777 177.967 177.300 -0.183 0.000 1.163 587 P CA 1.450 64.410 63.100 -0.234 0.000 0.883 587 P CB -0.153 31.273 31.700 -0.457 0.000 0.788 588 H N -3.501 115.483 119.070 -0.143 0.000 2.496 588 H HA -0.180 4.376 4.556 -0.001 0.000 0.296 588 H C 1.774 177.105 175.328 0.006 0.000 1.107 588 H CA 0.915 56.902 56.048 -0.102 0.000 1.263 588 H CB -0.650 29.094 29.762 -0.030 0.000 1.369 588 H HN 0.248 nan 8.280 nan 0.000 0.541 589 W N 2.138 123.490 121.300 0.085 0.000 2.418 589 W HA -0.128 4.532 4.660 -0.001 0.000 0.319 589 W C 2.375 178.952 176.519 0.096 0.000 1.183 589 W CA 1.552 58.966 57.345 0.115 0.000 1.327 589 W CB -0.118 29.423 29.460 0.135 0.000 1.163 589 W HN 0.247 nan 8.180 nan 0.000 0.479 590 N N -0.204 118.675 118.700 0.299 0.000 2.331 590 N HA -0.177 4.562 4.740 -0.001 0.000 0.180 590 N C 1.091 176.630 175.510 0.049 0.000 1.019 590 N CA 1.502 54.661 53.050 0.182 0.000 0.881 590 N CB -0.928 37.664 38.487 0.175 0.000 0.972 590 N HN 0.119 nan 8.380 nan 0.000 0.435 591 D N 0.741 121.160 120.400 0.032 0.000 2.158 591 D HA -0.115 4.524 4.640 -0.001 0.000 0.197 591 D C 1.449 177.704 176.300 -0.076 0.000 0.995 591 D CA 2.474 56.468 54.000 -0.009 0.000 0.846 591 D CB -0.460 40.342 40.800 0.005 0.000 0.941 591 D HN 0.599 nan 8.370 nan 0.000 0.456 592 G N -1.559 107.157 108.800 -0.140 0.000 2.201 592 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.212 592 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.212 592 G C 1.211 175.976 174.900 -0.225 0.000 0.994 592 G CA 0.658 45.625 45.100 -0.222 0.000 0.644 592 G HN 0.582 nan 8.290 nan 0.000 0.508 593 A N -0.308 122.405 122.820 -0.178 0.000 2.019 593 A HA 0.435 4.755 4.320 -0.001 0.000 0.219 593 A C 1.388 178.945 177.584 -0.044 0.000 1.164 593 A CA 1.735 53.697 52.037 -0.124 0.000 0.644 593 A CB -0.111 18.745 19.000 -0.241 0.000 0.805 593 A HN 1.646 nan 8.150 nan 0.000 0.449 594 I N -1.392 119.083 120.570 -0.158 0.000 2.405 594 I HA 0.424 4.593 4.170 -0.001 0.000 0.280 594 I C 0.568 176.494 176.117 -0.318 0.000 1.027 594 I CA -0.691 60.502 61.300 -0.179 0.000 1.161 594 I CB 1.148 39.092 38.000 -0.094 0.000 1.300 594 I HN 0.041 nan 8.210 nan 0.000 0.463 595 L N 7.638 128.710 121.223 -0.253 0.000 2.017 595 L HA 0.193 4.533 4.340 -0.001 0.000 0.208 595 L C 1.854 178.552 176.870 -0.287 0.000 1.073 595 L CA 2.491 57.194 54.840 -0.229 0.000 0.745 595 L CB -0.854 41.096 42.059 -0.181 0.000 0.894 595 L HN 0.979 nan 8.230 nan 0.000 0.432 596 G N -1.483 106.967 108.800 -0.583 0.000 4.039 596 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.220 596 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.220 596 G C 0.537 174.865 174.900 -0.953 0.000 1.391 596 G CA 0.408 44.739 45.100 -1.282 0.000 0.920 596 G HN 0.283 nan 8.290 nan 0.000 0.599 597 F N 1.837 121.618 119.950 -0.281 0.000 2.606 597 F HA 0.666 5.193 4.527 -0.001 0.000 0.347 597 F C 0.328 175.549 175.800 -0.966 0.000 1.207 597 F CA -0.367 57.207 58.000 -0.711 0.000 1.306 597 F CB 1.123 40.045 39.000 -0.130 0.000 1.657 597 F HN 0.157 nan 8.300 nan 0.000 0.606 598 V N 1.696 121.116 119.914 -0.824 0.000 2.932 598 V HA 0.275 4.394 4.120 -0.001 0.000 0.307 598 V C -0.626 175.475 176.094 0.012 0.000 1.147 598 V CA -1.258 60.902 62.300 -0.234 0.000 0.951 598 V CB 2.509 34.228 31.823 -0.172 0.000 1.031 598 V HN 0.573 nan 8.190 nan 0.000 0.426 599 N N 2.472 121.316 118.700 0.240 0.000 2.472 599 N HA 0.342 5.082 4.740 -0.001 0.000 0.289 599 N C 0.617 176.216 175.510 0.148 0.000 1.156 599 N CA -0.761 52.450 53.050 0.269 0.000 0.940 599 N CB 1.971 40.634 38.487 0.294 0.000 1.200 599 N HN 0.465 nan 8.380 nan 0.000 0.511 600 K N 0.781 121.265 120.400 0.139 0.000 2.107 600 K HA -0.333 3.987 4.320 -0.001 0.000 0.211 600 K C 2.043 178.698 176.600 0.092 0.000 1.049 600 K CA 2.032 58.378 56.287 0.099 0.000 0.927 600 K CB -0.398 32.157 32.500 0.091 0.000 0.714 600 K HN 0.672 nan 8.250 nan 0.000 0.452 601 Q N 0.592 120.443 119.800 0.085 0.000 2.020 601 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 601 Q C 2.099 178.165 176.000 0.110 0.000 0.982 601 Q CA 2.151 57.998 55.803 0.073 0.000 0.838 601 Q CB -0.341 28.423 28.738 0.043 0.000 0.899 601 Q HN 0.560 nan 8.270 nan 0.000 0.423 602 Q N -0.531 119.324 119.800 0.092 0.000 2.096 602 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 602 Q C 2.036 178.043 176.000 0.012 0.000 0.982 602 Q CA 1.646 57.486 55.803 0.061 0.000 0.850 602 Q CB -0.397 28.378 28.738 0.062 0.000 0.901 602 Q HN 0.529 nan 8.270 nan 0.000 0.422 603 A N 0.798 123.624 122.820 0.010 0.000 1.917 603 A HA -0.289 4.031 4.320 -0.001 0.000 0.219 603 A C 1.986 179.577 177.584 0.011 0.000 1.182 603 A CA 1.879 53.902 52.037 -0.024 0.000 0.633 603 A CB -0.967 18.039 19.000 0.010 0.000 0.819 603 A HN 0.527 nan 8.150 nan 0.000 0.448 604 H N 0.237 119.293 119.070 -0.023 0.000 2.321 604 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 604 H C 1.315 176.639 175.328 -0.006 0.000 1.087 604 H CA 1.953 57.989 56.048 -0.021 0.000 1.319 604 H CB -0.146 29.601 29.762 -0.024 0.000 1.379 604 H HN 0.461 nan 8.280 nan 0.000 0.501 605 D N 0.978 121.462 120.400 0.140 0.000 2.103 605 D HA -0.097 4.542 4.640 -0.001 0.000 0.199 605 D C 2.548 178.864 176.300 0.026 0.000 0.978 605 D CA 0.676 54.733 54.000 0.095 0.000 0.829 605 D CB -0.253 40.619 40.800 0.120 0.000 0.981 605 D HN 0.401 nan 8.370 nan 0.000 0.464 606 L N 0.165 121.389 121.223 0.002 0.000 2.265 606 L HA -0.059 4.281 4.340 -0.001 0.000 0.215 606 L C 2.285 179.248 176.870 0.155 0.000 1.117 606 L CA 0.594 55.451 54.840 0.028 0.000 0.782 606 L CB -0.221 41.672 42.059 -0.276 0.000 0.914 606 L HN 0.014 nan 8.230 nan 0.000 0.441 607 L N -0.579 120.674 121.223 0.051 0.000 2.467 607 L HA 0.041 4.381 4.340 -0.001 0.000 0.213 607 L C 2.488 179.372 176.870 0.022 0.000 1.053 607 L CA 0.157 55.053 54.840 0.095 0.000 0.847 607 L CB -0.001 42.093 42.059 0.058 0.000 1.075 607 L HN 0.146 nan 8.230 nan 0.000 0.479 608 I N -0.174 120.340 120.570 -0.094 0.000 2.145 608 I HA -0.341 3.828 4.170 -0.001 0.000 0.244 608 I C 1.693 177.783 176.117 -0.044 0.000 1.075 608 I CA 2.349 63.565 61.300 -0.140 0.000 1.332 608 I CB -0.877 36.970 38.000 -0.254 0.000 1.033 608 I HN 0.466 nan 8.210 nan 0.000 0.410 609 N N 1.109 119.804 118.700 -0.008 0.000 2.370 609 N HA 0.034 4.773 4.740 -0.001 0.000 0.198 609 N C 0.139 175.664 175.510 0.024 0.000 1.156 609 N CA -0.077 52.979 53.050 0.010 0.000 0.839 609 N CB 0.147 38.643 38.487 0.016 0.000 0.989 609 N HN 0.342 nan 8.380 nan 0.000 0.468 610 K N 1.643 122.068 120.400 0.043 0.000 2.098 610 K HA 0.412 4.732 4.320 -0.001 0.000 0.244 610 K C -2.214 174.415 176.600 0.047 0.000 1.014 610 K CA -2.022 54.302 56.287 0.062 0.000 0.917 610 K CB 0.211 32.783 32.500 0.119 0.000 1.072 610 K HN -0.029 nan 8.250 nan 0.000 0.477 611 P HA 0.007 nan 4.420 nan 0.000 0.271 611 P C -0.623 176.647 177.300 -0.050 0.000 1.233 611 P CA -0.099 63.036 63.100 0.059 0.000 0.789 611 P CB 0.320 32.159 31.700 0.232 0.000 0.951 612 D N 0.557 120.818 120.400 -0.232 0.000 2.363 612 D HA 0.314 4.954 4.640 -0.001 0.000 0.263 612 D C 1.426 177.463 176.300 -0.439 0.000 1.258 612 D CA 1.473 55.102 54.000 -0.618 0.000 0.907 612 D CB -0.300 39.787 40.800 -1.187 0.000 1.107 612 D HN 0.627 nan 8.370 nan 0.000 0.495 613 G N 2.250 111.004 108.800 -0.078 0.000 2.255 613 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.196 613 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.196 613 G C 0.636 175.719 174.900 0.304 0.000 0.998 613 G CA -0.108 45.142 45.100 0.250 0.000 0.656 613 G HN 0.533 nan 8.290 nan 0.000 0.490 614 T N 2.036 116.698 114.554 0.180 0.000 2.905 614 T HA 0.448 4.798 4.350 -0.001 0.000 0.299 614 T C 0.059 175.014 174.700 0.424 0.000 1.024 614 T CA 1.291 63.539 62.100 0.247 0.000 1.151 614 T CB 0.138 69.144 68.868 0.229 0.000 0.987 614 T HN 1.149 nan 8.240 nan 0.000 0.535 615 F N 1.683 121.819 119.950 0.310 0.000 2.754 615 F HA 0.836 5.362 4.527 -0.001 0.000 0.320 615 F C -1.660 174.293 175.800 0.255 0.000 1.156 615 F CA -1.780 56.408 58.000 0.312 0.000 0.950 615 F CB 1.011 40.213 39.000 0.335 0.000 1.388 615 F HN 0.464 nan 8.300 nan 0.000 0.485 616 L N -0.291 121.188 121.223 0.427 0.000 2.600 616 L HA 0.768 5.108 4.340 -0.001 0.000 0.257 616 L C -2.001 175.020 176.870 0.252 0.000 1.048 616 L CA -1.318 53.652 54.840 0.216 0.000 0.869 616 L CB 1.773 43.808 42.059 -0.039 0.000 1.482 616 L HN 0.771 nan 8.230 nan 0.000 0.408 617 L N 1.174 122.445 121.223 0.080 0.000 2.322 617 L HA 0.771 5.111 4.340 -0.001 0.000 0.281 617 L C -0.303 176.414 176.870 -0.255 0.000 1.014 617 L CA -0.529 54.292 54.840 -0.032 0.000 0.815 617 L CB 1.789 43.828 42.059 -0.034 0.000 1.247 617 L HN 0.710 nan 8.230 nan 0.000 0.421 618 R N 2.445 122.787 120.500 -0.263 0.000 2.574 618 R HA 0.468 4.808 4.340 -0.001 0.000 0.288 618 R C -1.372 174.765 176.300 -0.272 0.000 1.004 618 R CA -0.620 55.287 56.100 -0.321 0.000 0.895 618 R CB 1.629 31.861 30.300 -0.114 0.000 1.191 618 R HN 0.390 nan 8.270 nan 0.000 0.444 619 F N 2.213 122.111 119.950 -0.088 0.000 2.502 619 F HA 0.105 4.632 4.527 -0.001 0.000 0.371 619 F C 0.744 176.661 175.800 0.194 0.000 1.083 619 F CA -0.071 57.901 58.000 -0.046 0.000 1.174 619 F CB 1.224 40.103 39.000 -0.201 0.000 1.096 619 F HN 0.352 nan 8.300 nan 0.000 0.545 620 S N 3.115 118.957 115.700 0.236 0.000 2.437 620 S HA -0.025 4.445 4.470 -0.001 0.000 0.304 620 S C 0.690 175.431 174.600 0.235 0.000 1.167 620 S CA -0.591 57.709 58.200 0.168 0.000 1.106 620 S CB 0.006 63.220 63.200 0.024 0.000 1.099 620 S HN 0.626 nan 8.310 nan 0.000 0.524 621 D N 2.559 123.159 120.400 0.333 0.000 2.218 621 D HA -0.141 4.498 4.640 -0.001 0.000 0.204 621 D C 1.653 177.652 176.300 -0.502 0.000 0.976 621 D CA 0.924 54.939 54.000 0.024 0.000 0.853 621 D CB -0.299 40.419 40.800 -0.137 0.000 0.939 621 D HN 0.443 nan 8.370 nan 0.000 0.481 622 S N -0.167 115.460 115.700 -0.122 0.000 2.426 622 S HA -0.313 4.157 4.470 -0.001 0.000 0.253 622 S C 0.913 175.448 174.600 -0.110 0.000 1.104 622 S CA 2.153 60.346 58.200 -0.012 0.000 1.158 622 S CB -0.569 62.666 63.200 0.059 0.000 1.043 622 S HN 0.689 nan 8.310 nan 0.000 0.443 623 E N -1.303 118.802 120.200 -0.159 0.000 2.388 623 E HA 0.343 4.693 4.350 -0.001 0.000 0.280 623 E C 0.475 176.942 176.600 -0.222 0.000 1.019 623 E CA -0.584 55.741 56.400 -0.125 0.000 0.806 623 E CB 0.161 29.826 29.700 -0.059 0.000 1.246 623 E HN -0.068 nan 8.360 nan 0.000 0.443 624 I N 1.326 121.776 120.570 -0.200 0.000 2.479 624 I HA 0.033 4.202 4.170 -0.001 0.000 0.258 624 I C 1.119 176.984 176.117 -0.421 0.000 1.165 624 I CA 1.835 62.955 61.300 -0.300 0.000 1.422 624 I CB -1.336 36.580 38.000 -0.141 0.000 1.087 624 I HN 0.622 nan 8.210 nan 0.000 0.441 625 G N 0.671 109.259 108.800 -0.353 0.000 4.836 625 G HA2 0.494 4.453 3.960 -0.001 0.000 0.222 625 G HA3 0.494 4.453 3.960 -0.001 0.000 0.222 625 G C -0.114 174.626 174.900 -0.267 0.000 1.332 625 G CA 0.113 44.958 45.100 -0.424 0.000 0.606 625 G HN 0.514 nan 8.290 nan 0.000 0.357 626 G N -0.232 108.438 108.800 -0.218 0.000 2.816 626 G HA2 0.740 4.700 3.960 -0.001 0.000 0.288 626 G HA3 0.740 4.700 3.960 -0.001 0.000 0.288 626 G C -1.059 173.873 174.900 0.052 0.000 1.334 626 G CA -1.021 44.048 45.100 -0.052 0.000 0.978 626 G HN 0.390 nan 8.290 nan 0.000 0.493 627 I N 1.119 121.762 120.570 0.122 0.000 2.447 627 I HA 0.304 4.474 4.170 -0.001 0.000 0.287 627 I C 0.264 176.391 176.117 0.017 0.000 1.023 627 I CA -0.711 60.650 61.300 0.101 0.000 1.083 627 I CB 2.254 40.328 38.000 0.123 0.000 1.245 627 I HN 0.542 nan 8.210 nan 0.000 0.434 628 T N 3.945 118.484 114.554 -0.024 0.000 2.889 628 T HA 0.661 5.010 4.350 -0.001 0.000 0.291 628 T C -0.221 174.488 174.700 0.016 0.000 0.995 628 T CA -0.552 61.513 62.100 -0.058 0.000 1.092 628 T CB 1.226 70.084 68.868 -0.017 0.000 0.954 628 T HN 0.311 nan 8.240 nan 0.000 0.506 629 I N 2.271 122.870 120.570 0.049 0.000 2.304 629 I HA 0.508 4.677 4.170 -0.001 0.000 0.291 629 I C 0.472 176.781 176.117 0.320 0.000 1.018 629 I CA -0.746 60.656 61.300 0.171 0.000 1.260 629 I CB 0.963 39.032 38.000 0.115 0.000 1.390 629 I HN 0.863 nan 8.210 nan 0.000 0.475 630 A N 7.334 130.348 122.820 0.324 0.000 2.288 630 A HA 0.695 5.015 4.320 -0.001 0.000 0.320 630 A C -0.932 176.962 177.584 0.518 0.000 1.217 630 A CA -0.470 51.756 52.037 0.315 0.000 0.840 630 A CB 0.409 19.497 19.000 0.146 0.000 1.179 630 A HN 0.865 nan 8.150 nan 0.000 0.504 631 W N 2.379 123.859 121.300 0.300 0.000 3.164 631 W HA 0.814 5.473 4.660 -0.000 0.000 0.325 631 W C -0.662 176.068 176.519 0.353 0.000 1.228 631 W CA -0.972 56.599 57.345 0.377 0.000 1.024 631 W CB 1.217 30.921 29.460 0.407 0.000 1.534 631 W HN 0.536 nan 8.180 nan 0.000 0.614 632 K N 1.979 122.638 120.400 0.432 0.000 2.637 632 K HA 0.380 4.699 4.320 -0.001 0.000 0.248 632 K C -2.463 174.371 176.600 0.391 0.000 0.971 632 K CA -0.485 55.958 56.287 0.260 0.000 0.858 632 K CB 1.336 33.917 32.500 0.136 0.000 1.170 632 K HN 0.628 nan 8.250 nan 0.000 0.443 633 F N 2.152 122.352 119.950 0.418 0.000 2.538 633 F HA 0.233 4.760 4.527 -0.001 0.000 0.325 633 F C 1.293 177.286 175.800 0.321 0.000 1.066 633 F CA -0.404 57.781 58.000 0.309 0.000 0.946 633 F CB 1.808 40.907 39.000 0.164 0.000 1.199 633 F HN 0.611 nan 8.300 nan 0.000 0.473 634 D N 0.602 121.207 120.400 0.341 0.000 2.264 634 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 634 D C 0.958 177.401 176.300 0.237 0.000 0.966 634 D CA 1.027 55.149 54.000 0.203 0.000 0.864 634 D CB 0.207 41.062 40.800 0.091 0.000 0.933 634 D HN 0.194 nan 8.370 nan 0.000 0.499 635 S N 0.706 116.610 115.700 0.340 0.000 3.700 635 S HA 0.186 4.656 4.470 -0.001 0.000 0.192 635 S C -1.733 173.042 174.600 0.291 0.000 1.430 635 S CA -1.381 56.974 58.200 0.259 0.000 0.999 635 S CB 0.372 63.709 63.200 0.227 0.000 1.411 635 S HN 0.048 nan 8.310 nan 0.000 0.491 636 P HA 0.563 nan 4.420 nan 0.000 0.193 636 P C -0.515 176.463 177.300 -0.536 0.000 1.168 636 P CA 0.402 63.385 63.100 -0.194 0.000 0.844 636 P CB 0.267 31.886 31.700 -0.134 0.000 0.699 637 D N -5.094 115.085 120.400 -0.368 0.000 3.122 637 D HA 0.109 4.749 4.640 -0.001 0.000 0.304 637 D C 0.483 176.697 176.300 -0.143 0.000 1.162 637 D CA -0.639 53.201 54.000 -0.266 0.000 0.715 637 D CB 0.057 40.642 40.800 -0.358 0.000 1.299 637 D HN -0.293 nan 8.370 nan 0.000 0.465 638 R N 0.086 120.532 120.500 -0.090 0.000 2.200 638 R HA 0.159 4.499 4.340 -0.001 0.000 0.208 638 R C 0.315 176.574 176.300 -0.069 0.000 1.033 638 R CA 0.564 56.646 56.100 -0.031 0.000 1.000 638 R CB -0.691 29.562 30.300 -0.078 0.000 0.906 638 R HN 0.216 nan 8.270 nan 0.000 0.462 639 N N 1.478 120.093 118.700 -0.143 0.000 3.188 639 N HA 0.076 4.815 4.740 -0.001 0.000 0.279 639 N C -0.708 174.594 175.510 -0.348 0.000 1.213 639 N CA 0.029 52.968 53.050 -0.186 0.000 1.138 639 N CB -0.151 38.230 38.487 -0.178 0.000 1.417 639 N HN 0.114 nan 8.380 nan 0.000 0.526 640 L N 0.969 122.021 121.223 -0.285 0.000 2.452 640 L HA 0.248 4.588 4.340 -0.001 0.000 0.267 640 L C 0.004 176.560 176.870 -0.524 0.000 1.188 640 L CA -0.768 53.794 54.840 -0.463 0.000 0.821 640 L CB 0.575 42.489 42.059 -0.241 0.000 1.102 640 L HN 0.465 nan 8.230 nan 0.000 0.470 641 W N 4.551 125.532 121.300 -0.533 0.000 2.761 641 W HA -0.046 4.614 4.660 -0.000 0.000 0.375 641 W C 0.164 176.034 176.519 -1.082 0.000 1.271 641 W CA -0.144 56.523 57.345 -1.130 0.000 1.281 641 W CB -0.699 27.539 29.460 -2.037 0.000 1.373 641 W HN 0.513 nan 8.180 nan 0.000 0.587 642 N N 3.698 122.167 118.700 -0.384 0.000 2.425 642 N HA 0.562 5.302 4.740 -0.001 0.000 0.289 642 N C -1.255 174.341 175.510 0.144 0.000 1.074 642 N CA -1.117 51.927 53.050 -0.011 0.000 0.905 642 N CB 1.161 39.661 38.487 0.021 0.000 1.586 642 N HN 0.328 nan 8.380 nan 0.000 0.490 643 L N -1.134 120.290 121.223 0.335 0.000 2.375 643 L HA 0.686 5.026 4.340 -0.001 0.000 0.268 643 L C -0.108 176.737 176.870 -0.040 0.000 1.058 643 L CA -1.158 53.795 54.840 0.188 0.000 0.803 643 L CB 1.045 43.259 42.059 0.259 0.000 1.212 643 L HN 0.386 nan 8.230 nan 0.000 0.451 644 K N 1.326 121.669 120.400 -0.095 0.000 2.319 644 K HA 0.270 4.590 4.320 -0.001 0.000 0.265 644 K C -2.248 174.131 176.600 -0.369 0.000 1.000 644 K CA -1.008 55.190 56.287 -0.149 0.000 0.943 644 K CB 0.096 32.550 32.500 -0.077 0.000 0.950 644 K HN 0.494 nan 8.250 nan 0.000 0.485 645 P HA -0.008 nan 4.420 nan 0.000 0.269 645 P C -0.955 176.088 177.300 -0.428 0.000 1.215 645 P CA 0.263 63.168 63.100 -0.323 0.000 0.780 645 P CB 0.372 31.987 31.700 -0.142 0.000 0.898 646 F N -0.055 119.781 119.950 -0.190 0.000 2.458 646 F HA 0.411 4.938 4.527 -0.000 0.000 0.336 646 F C 1.357 176.855 175.800 -0.503 0.000 1.114 646 F CA -0.582 57.142 58.000 -0.460 0.000 0.987 646 F CB 1.727 40.239 39.000 -0.813 0.000 1.130 646 F HN 0.234 nan 8.300 nan 0.000 0.458 647 T N -1.606 112.793 114.554 -0.257 0.000 2.876 647 T HA 0.146 4.496 4.350 -0.001 0.000 0.277 647 T C 1.209 175.774 174.700 -0.225 0.000 0.997 647 T CA -0.185 61.813 62.100 -0.171 0.000 0.966 647 T CB 1.482 70.293 68.868 -0.095 0.000 1.312 647 T HN 0.582 nan 8.240 nan 0.000 0.598 648 T N -0.438 114.114 114.554 -0.003 0.000 2.737 648 T HA -0.139 4.211 4.350 -0.001 0.000 0.269 648 T C 2.055 176.764 174.700 0.015 0.000 1.040 648 T CA 1.902 64.066 62.100 0.108 0.000 1.142 648 T CB -0.561 68.445 68.868 0.229 0.000 0.861 648 T HN 0.586 nan 8.240 nan 0.000 0.456 649 R N 0.409 120.891 120.500 -0.030 0.000 2.148 649 R HA -0.154 4.185 4.340 -0.001 0.000 0.230 649 R C 2.165 178.404 176.300 -0.101 0.000 1.120 649 R CA 2.587 58.664 56.100 -0.038 0.000 0.902 649 R CB -0.645 29.629 30.300 -0.043 0.000 0.839 649 R HN 0.498 nan 8.270 nan 0.000 0.431 650 D N -0.320 119.954 120.400 -0.210 0.000 2.157 650 D HA -0.233 4.406 4.640 -0.001 0.000 0.191 650 D C 1.714 177.834 176.300 -0.300 0.000 1.004 650 D CA 1.852 55.657 54.000 -0.325 0.000 0.854 650 D CB -0.411 40.091 40.800 -0.495 0.000 0.936 650 D HN 0.289 nan 8.370 nan 0.000 0.446 651 F N 0.606 120.415 119.950 -0.234 0.000 2.293 651 F HA -0.105 4.422 4.527 -0.001 0.000 0.300 651 F C 2.521 178.202 175.800 -0.199 0.000 1.086 651 F CA 0.270 58.065 58.000 -0.343 0.000 1.375 651 F CB 0.048 38.612 39.000 -0.726 0.000 1.045 651 F HN -0.097 nan 8.300 nan 0.000 0.516 652 S N 0.902 116.662 115.700 0.100 0.000 2.326 652 S HA -0.190 4.280 4.470 -0.001 0.000 0.211 652 S C 1.995 176.633 174.600 0.063 0.000 1.031 652 S CA 1.020 59.311 58.200 0.151 0.000 0.985 652 S CB -0.651 62.642 63.200 0.156 0.000 0.961 652 S HN 0.373 nan 8.310 nan 0.000 0.436 653 I N 0.992 121.572 120.570 0.016 0.000 2.285 653 I HA -0.184 3.985 4.170 -0.001 0.000 0.253 653 I C 0.812 176.916 176.117 -0.021 0.000 1.104 653 I CA 1.492 62.785 61.300 -0.011 0.000 1.372 653 I CB 0.106 38.087 38.000 -0.032 0.000 1.057 653 I HN 0.110 nan 8.210 nan 0.000 0.431 654 R N -0.244 120.240 120.500 -0.026 0.000 2.633 654 R HA 0.271 4.611 4.340 -0.001 0.000 0.255 654 R C -0.669 175.647 176.300 0.027 0.000 1.106 654 R CA 0.010 56.097 56.100 -0.021 0.000 0.959 654 R CB 1.120 31.376 30.300 -0.074 0.000 1.259 654 R HN 0.242 nan 8.270 nan 0.000 0.453 655 S N 3.204 118.936 115.700 0.053 0.000 2.585 655 S HA 0.088 4.557 4.470 -0.001 0.000 0.273 655 S C 1.210 175.844 174.600 0.057 0.000 1.339 655 S CA -0.659 57.588 58.200 0.079 0.000 1.028 655 S CB 1.302 64.551 63.200 0.082 0.000 0.906 655 S HN 0.647 nan 8.310 nan 0.000 0.528 656 L N 2.969 124.178 121.223 -0.022 0.000 1.989 656 L HA 0.007 4.347 4.340 -0.001 0.000 0.211 656 L C 2.642 179.435 176.870 -0.127 0.000 1.071 656 L CA 2.546 57.340 54.840 -0.076 0.000 0.749 656 L CB -1.458 40.388 42.059 -0.356 0.000 0.890 656 L HN 0.952 nan 8.230 nan 0.000 0.431 657 A N -0.446 122.333 122.820 -0.068 0.000 1.884 657 A HA -0.319 4.001 4.320 -0.001 0.000 0.219 657 A C 2.067 179.727 177.584 0.125 0.000 1.197 657 A CA 2.314 54.368 52.037 0.028 0.000 0.637 657 A CB -1.192 18.033 19.000 0.374 0.000 0.827 657 A HN 0.637 nan 8.150 nan 0.000 0.450 658 D N -0.782 119.706 120.400 0.147 0.000 2.092 658 D HA -0.158 4.481 4.640 -0.001 0.000 0.193 658 D C 2.196 178.455 176.300 -0.070 0.000 0.994 658 D CA 1.477 55.519 54.000 0.071 0.000 0.828 658 D CB -0.401 40.423 40.800 0.041 0.000 0.963 658 D HN 0.463 nan 8.370 nan 0.000 0.450 659 R N 0.162 120.601 120.500 -0.102 0.000 2.103 659 R HA -0.115 4.225 4.340 -0.001 0.000 0.242 659 R C 2.605 178.777 176.300 -0.214 0.000 1.142 659 R CA 0.838 56.832 56.100 -0.177 0.000 0.960 659 R CB -0.379 29.776 30.300 -0.242 0.000 0.858 659 R HN 0.244 nan 8.270 nan 0.000 0.439 660 L N -0.970 120.103 121.223 -0.250 0.000 2.109 660 L HA -0.033 4.307 4.340 -0.001 0.000 0.207 660 L C 2.490 179.162 176.870 -0.330 0.000 1.086 660 L CA 1.197 55.805 54.840 -0.388 0.000 0.760 660 L CB -0.573 41.124 42.059 -0.605 0.000 0.910 660 L HN 0.342 nan 8.230 nan 0.000 0.437 661 G N -0.772 107.912 108.800 -0.194 0.000 2.509 661 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.218 661 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.218 661 G C 1.050 175.746 174.900 -0.340 0.000 1.124 661 G CA 0.475 45.407 45.100 -0.279 0.000 0.776 661 G HN 0.314 nan 8.290 nan 0.000 0.547 662 D N 0.012 120.233 120.400 -0.298 0.000 2.333 662 D HA 0.073 4.713 4.640 -0.001 0.000 0.208 662 D C 0.928 177.036 176.300 -0.321 0.000 0.984 662 D CA 0.142 53.981 54.000 -0.268 0.000 0.873 662 D CB 0.434 41.109 40.800 -0.209 0.000 0.935 662 D HN 0.252 nan 8.370 nan 0.000 0.521 663 L N 1.903 122.853 121.223 -0.454 0.000 2.264 663 L HA 0.278 4.618 4.340 -0.001 0.000 0.289 663 L C 1.307 177.709 176.870 -0.780 0.000 1.044 663 L CA -0.495 53.892 54.840 -0.755 0.000 0.807 663 L CB 1.146 42.552 42.059 -1.088 0.000 1.192 663 L HN -0.232 nan 8.230 nan 0.000 0.425 664 N N 2.224 120.538 118.700 -0.644 0.000 2.290 664 N HA -0.146 4.593 4.740 -0.001 0.000 0.179 664 N C 1.656 176.967 175.510 -0.331 0.000 1.016 664 N CA 1.123 53.953 53.050 -0.368 0.000 0.871 664 N CB 0.017 38.387 38.487 -0.195 0.000 0.987 664 N HN 0.711 nan 8.380 nan 0.000 0.431 665 Y N 1.089 121.199 120.300 -0.317 0.000 2.224 665 Y HA 0.063 4.613 4.550 -0.000 0.000 0.289 665 Y C 1.031 176.825 175.900 -0.177 0.000 1.146 665 Y CA 0.065 58.003 58.100 -0.271 0.000 1.182 665 Y CB -1.025 37.145 38.460 -0.483 0.000 0.983 665 Y HN -0.155 nan 8.280 nan 0.000 0.524 666 L N 1.629 122.474 121.223 -0.630 0.000 2.600 666 L HA 0.011 4.351 4.340 -0.001 0.000 0.278 666 L C 0.631 177.488 176.870 -0.021 0.000 1.139 666 L CA 0.028 54.639 54.840 -0.382 0.000 0.933 666 L CB 0.276 41.756 42.059 -0.964 0.000 1.266 666 L HN 0.322 nan 8.230 nan 0.000 0.471 667 I N 3.203 123.872 120.570 0.165 0.000 2.899 667 I HA 0.082 4.251 4.170 -0.001 0.000 0.257 667 I C -0.253 175.835 176.117 -0.048 0.000 1.115 667 I CA 0.400 61.657 61.300 -0.071 0.000 1.451 667 I CB 0.541 38.338 38.000 -0.339 0.000 1.251 667 I HN 0.396 nan 8.210 nan 0.000 0.456 668 Y N -1.085 119.339 120.300 0.207 0.000 2.534 668 Y HA 0.552 5.102 4.550 -0.001 0.000 0.345 668 Y C -0.381 175.282 175.900 -0.394 0.000 1.031 668 Y CA -2.259 55.848 58.100 0.011 0.000 1.022 668 Y CB 0.278 38.732 38.460 -0.010 0.000 1.292 668 Y HN -0.178 nan 8.280 nan 0.000 0.459 669 V N 2.931 122.696 119.914 -0.249 0.000 2.572 669 V HA 0.160 4.279 4.120 -0.001 0.000 0.291 669 V C 1.229 177.185 176.094 -0.229 0.000 1.039 669 V CA -0.380 61.591 62.300 -0.547 0.000 1.055 669 V CB 0.215 31.974 31.823 -0.107 0.000 0.969 669 V HN 0.933 nan 8.190 nan 0.000 0.482 670 F N 6.259 125.997 119.950 -0.353 0.000 2.659 670 F HA -0.264 4.262 4.527 -0.000 0.000 0.288 670 F C -0.608 175.132 175.800 -0.100 0.000 1.265 670 F CA 3.536 61.437 58.000 -0.166 0.000 1.439 670 F CB -2.240 36.694 39.000 -0.111 0.000 0.807 670 F HN 0.586 nan 8.300 nan 0.000 0.572 671 P HA -0.181 nan 4.420 nan 0.000 0.219 671 P C 0.714 177.649 177.300 -0.609 0.000 1.158 671 P CA 3.143 65.690 63.100 -0.922 0.000 0.895 671 P CB -0.100 31.357 31.700 -0.406 0.000 0.792 672 D N -5.504 114.665 120.400 -0.384 0.000 1.412 672 D HA -0.056 4.583 4.640 -0.001 0.000 0.786 672 D C 0.166 176.228 176.300 -0.396 0.000 0.571 672 D CA -0.159 53.628 54.000 -0.355 0.000 1.290 672 D CB -0.782 39.819 40.800 -0.332 0.000 1.180 672 D HN 0.167 nan 8.370 nan 0.000 0.439 673 R N 2.847 123.192 120.500 -0.259 0.000 2.523 673 R HA 0.266 4.605 4.340 -0.001 0.000 0.281 673 R C -2.295 173.983 176.300 -0.038 0.000 0.969 673 R CA -0.619 55.375 56.100 -0.177 0.000 1.093 673 R CB -0.690 29.542 30.300 -0.114 0.000 0.917 673 R HN 0.047 nan 8.270 nan 0.000 0.408 674 P HA -0.037 nan 4.420 nan 0.000 0.270 674 P C -0.066 177.406 177.300 0.286 0.000 1.223 674 P CA -0.307 62.994 63.100 0.336 0.000 0.785 674 P CB 0.917 32.780 31.700 0.272 0.000 0.923 675 K N 1.481 122.095 120.400 0.356 0.000 1.965 675 K HA -0.202 4.118 4.320 -0.001 0.000 0.214 675 K C 1.246 178.085 176.600 0.399 0.000 1.046 675 K CA 2.431 58.977 56.287 0.431 0.000 0.944 675 K CB -0.806 31.941 32.500 0.413 0.000 0.726 675 K HN 0.316 nan 8.250 nan 0.000 0.441 676 D N 0.643 121.245 120.400 0.337 0.000 2.248 676 D HA -0.279 4.361 4.640 -0.001 0.000 0.189 676 D C 1.745 178.129 176.300 0.141 0.000 1.011 676 D CA 1.971 56.149 54.000 0.296 0.000 0.868 676 D CB -0.405 40.536 40.800 0.234 0.000 0.931 676 D HN 0.468 nan 8.370 nan 0.000 0.449 677 E N -0.101 120.165 120.200 0.110 0.000 2.068 677 E HA -0.228 4.122 4.350 -0.001 0.000 0.207 677 E C 1.611 178.187 176.600 -0.041 0.000 1.032 677 E CA 1.580 57.995 56.400 0.025 0.000 0.839 677 E CB 0.017 29.730 29.700 0.023 0.000 0.758 677 E HN 0.159 nan 8.360 nan 0.000 0.457 678 V N -0.267 119.622 119.914 -0.041 0.000 3.649 678 V HA 0.007 4.126 4.120 -0.001 0.000 0.275 678 V C 0.523 176.268 176.094 -0.581 0.000 1.281 678 V CA 0.791 62.923 62.300 -0.279 0.000 1.143 678 V CB -0.144 31.480 31.823 -0.332 0.000 0.892 678 V HN 0.291 nan 8.190 nan 0.000 0.441 679 F N -1.309 118.625 119.950 -0.028 0.000 2.883 679 F HA 0.402 4.929 4.527 -0.001 0.000 0.351 679 F C 2.108 177.469 175.800 -0.730 0.000 0.970 679 F CA 0.506 58.426 58.000 -0.132 0.000 1.130 679 F CB -0.278 38.649 39.000 -0.122 0.000 1.015 679 F HN -0.024 nan 8.300 nan 0.000 0.585 680 A N 0.709 123.146 122.820 -0.639 0.000 2.032 680 A HA -0.260 4.060 4.320 -0.001 0.000 0.221 680 A C 2.223 179.567 177.584 -0.399 0.000 1.165 680 A CA 1.989 53.637 52.037 -0.649 0.000 0.645 680 A CB -0.658 18.308 19.000 -0.057 0.000 0.807 680 A HN 0.338 nan 8.150 nan 0.000 0.453 681 K N -1.471 118.633 120.400 -0.493 0.000 2.074 681 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 681 K C 1.017 177.283 176.600 -0.556 0.000 1.048 681 K CA 2.115 58.011 56.287 -0.652 0.000 0.926 681 K CB -0.259 31.528 32.500 -1.188 0.000 0.713 681 K HN 0.657 nan 8.250 nan 0.000 0.444 682 Y N -1.445 118.797 120.300 -0.097 0.000 2.458 682 Y HA 0.176 4.726 4.550 -0.000 0.000 0.256 682 Y C -0.058 175.899 175.900 0.094 0.000 1.159 682 Y CA -0.675 57.438 58.100 0.023 0.000 1.261 682 Y CB -0.226 38.326 38.460 0.153 0.000 1.119 682 Y HN -0.059 nan 8.280 nan 0.000 0.524 683 Y N 0.614 121.028 120.300 0.190 0.000 2.480 683 Y HA 0.082 4.632 4.550 -0.001 0.000 0.338 683 Y C 1.221 177.168 175.900 0.077 0.000 1.220 683 Y CA -0.149 58.021 58.100 0.117 0.000 1.430 683 Y CB 0.623 39.125 38.460 0.071 0.000 1.311 683 Y HN -0.162 nan 8.280 nan 0.000 0.575 684 T N 5.056 119.748 114.554 0.230 0.000 2.817 684 T HA 0.301 4.650 4.350 -0.001 0.000 0.293 684 T C -1.771 172.980 174.700 0.085 0.000 0.964 684 T CA -1.552 60.624 62.100 0.126 0.000 1.085 684 T CB 0.379 69.298 68.868 0.086 0.000 0.921 684 T HN 0.505 nan 8.240 nan 0.000 0.502 685 P HA 0.676 nan 4.420 nan 0.000 0.328 685 P C -0.693 176.618 177.300 0.019 0.000 1.305 685 P CA -0.491 62.632 63.100 0.038 0.000 0.745 685 P CB 0.601 32.323 31.700 0.037 0.000 1.462 686 V N -2.373 117.547 119.914 0.010 0.000 4.537 686 V HA 0.235 4.355 4.120 -0.001 0.000 0.308 686 V C 0.478 176.575 176.094 0.004 0.000 1.541 686 V CA -0.725 61.578 62.300 0.005 0.000 0.869 686 V CB -0.148 31.674 31.823 -0.001 0.000 1.211 686 V HN 0.179 nan 8.190 nan 0.000 0.463 687 L N 1.534 122.757 121.223 0.000 0.000 3.035 687 L HA 0.656 4.995 4.340 -0.001 0.000 0.232 687 L C 0.668 177.536 176.870 -0.004 0.000 1.341 687 L CA 0.365 55.205 54.840 -0.001 0.000 1.177 687 L CB -0.116 41.941 42.059 -0.002 0.000 1.555 687 L HN 0.682 nan 8.230 nan 0.000 0.473 688 A N -0.237 122.580 122.820 -0.004 0.000 2.529 688 A HA 0.610 4.930 4.320 -0.001 0.000 0.269 688 A C 0.465 178.043 177.584 -0.010 0.000 1.509 688 A CA -0.263 51.769 52.037 -0.009 0.000 0.857 688 A CB 0.673 19.666 19.000 -0.013 0.000 1.531 688 A HN 0.221 nan 8.150 nan 0.000 0.541 689 K N -1.687 118.705 120.400 -0.014 0.000 2.380 689 K HA 0.669 4.988 4.320 -0.001 0.000 0.243 689 K C 0.002 176.593 176.600 -0.015 0.000 1.071 689 K CA -0.329 55.949 56.287 -0.014 0.000 0.942 689 K CB 1.634 34.123 32.500 -0.017 0.000 1.324 689 K HN 0.743 nan 8.250 nan 0.000 0.517 690 A N 0.000 122.812 122.820 -0.014 0.000 2.254 690 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 690 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 690 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 690 A HN 0.000 nan 8.150 nan 0.000 0.486