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 3ifq_1_B DATA FIRST_RESID 126 DATA SEQUENCE AIVHLINYQD DAELATRALP ELTKLLNDED PVVVTKAAMI VNQLSKKEAS DATA SEQUENCE RRALMGSPQL VAAVVRTMQN TSDLDTARCT TSILHNLSHH REGLLAIFKS DATA SEQUENCE GGIPALVRML SSPVESVLFY AITTLHNLLL YQEGAKMAVR LADGLQKMVP DATA SEQUENCE LLNKNNPKFL AITTDCLQLL AYGNQESKLI ILANGGPQAL VQIMRNYSYE DATA SEQUENCE KLLWTTSRVL KVLSVCPSNK PAIVEAGGMQ ALGKHLTSNS PRLVQNCLWT DATA SEQUENCE LRNLSDVATK QEGLESVLKI LVNQLSVDDV NVLTCATGTL SNLTCNNSKN DATA SEQUENCE KTLVTQNSGV EALIHAILRA GDKDDITEPA VCALRHLTSR HPEAEMAQNS DATA SEQUENCE VRLNYGIPAI VKLLNQPNQW PLVKATIGLI RNLALCPANH APLQEAAVIP DATA SEQUENCE RLVQLLVKAH QDAQRHXXXX XXXXXTDGVR MEEIVEGCTG ALHILARDPM DATA SEQUENCE NRMEIFRLNT IPLFVQLLYS SVENIQRVAA GVLCELAQDK EAADAIDAEG DATA SEQUENCE ASAPLMELLH SRNEGTATYA AAVLFRISED KXXXXXKRVS VELTNSLF 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 126 A HA 0.000 nan 4.320 nan 0.000 0.244 126 A C 0.000 177.705 177.584 0.202 0.000 1.274 126 A CA 0.000 52.188 52.037 0.251 0.000 0.836 126 A CB 0.000 19.077 19.000 0.128 0.000 0.831 127 I N 0.491 121.130 120.570 0.115 0.000 2.439 127 I HA -0.098 4.071 4.170 -0.001 0.000 0.251 127 I C 2.288 178.426 176.117 0.035 0.000 1.139 127 I CA 1.480 62.819 61.300 0.064 0.000 1.438 127 I CB -0.873 37.147 38.000 0.035 0.000 1.085 127 I HN 0.183 nan 8.210 nan 0.000 0.427 128 V N 0.542 120.440 119.914 -0.027 0.000 2.379 128 V HA -0.240 3.879 4.120 -0.001 0.000 0.245 128 V C 2.352 178.377 176.094 -0.115 0.000 1.044 128 V CA 1.627 63.853 62.300 -0.124 0.000 1.036 128 V CB -1.063 30.609 31.823 -0.252 0.000 0.664 128 V HN 0.393 nan 8.190 nan 0.000 0.453 129 H N -0.340 118.768 119.070 0.063 0.000 2.489 129 H HA -0.036 4.520 4.556 -0.001 0.000 0.293 129 H C 2.121 177.558 175.328 0.181 0.000 1.066 129 H CA 1.211 57.312 56.048 0.089 0.000 1.305 129 H CB -0.207 29.606 29.762 0.085 0.000 1.386 129 H HN 0.289 nan 8.280 nan 0.000 0.551 130 L N -0.178 121.195 121.223 0.250 0.000 2.109 130 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 130 L C 2.047 179.007 176.870 0.150 0.000 1.086 130 L CA 0.817 55.776 54.840 0.199 0.000 0.760 130 L CB -0.217 41.897 42.059 0.092 0.000 0.910 130 L HN 0.329 nan 8.230 nan 0.000 0.437 131 I N 0.978 121.604 120.570 0.093 0.000 2.142 131 I HA -0.278 3.891 4.170 -0.001 0.000 0.240 131 I C 1.268 177.429 176.117 0.074 0.000 1.078 131 I CA 1.559 62.895 61.300 0.059 0.000 1.343 131 I CB -0.400 37.613 38.000 0.023 0.000 1.046 131 I HN 0.502 nan 8.210 nan 0.000 0.405 132 N N -0.237 118.507 118.700 0.073 0.000 2.327 132 N HA -0.089 4.650 4.740 -0.001 0.000 0.231 132 N C 1.028 176.595 175.510 0.095 0.000 1.130 132 N CA -0.225 52.862 53.050 0.063 0.000 0.845 132 N CB -0.814 37.685 38.487 0.019 0.000 1.073 132 N HN 0.373 nan 8.380 nan 0.000 0.496 133 Y N 0.995 121.313 120.300 0.029 0.000 2.097 133 Y HA -0.270 4.279 4.550 -0.001 0.000 0.282 133 Y C 2.432 178.345 175.900 0.020 0.000 1.152 133 Y CA 1.829 59.950 58.100 0.035 0.000 1.136 133 Y CB 0.103 38.584 38.460 0.035 0.000 0.975 133 Y HN 0.173 nan 8.280 nan 0.000 0.498 134 Q N 0.562 120.527 119.800 0.276 0.000 2.170 134 Q HA -0.167 4.172 4.340 -0.001 0.000 0.203 134 Q C 1.516 177.553 176.000 0.061 0.000 0.976 134 Q CA 2.030 57.936 55.803 0.172 0.000 0.858 134 Q CB -0.301 28.514 28.738 0.128 0.000 0.907 134 Q HN 0.513 nan 8.270 nan 0.000 0.433 135 D N -0.014 120.411 120.400 0.042 0.000 2.084 135 D HA -0.129 4.510 4.640 -0.001 0.000 0.196 135 D C 1.281 177.567 176.300 -0.023 0.000 0.985 135 D CA 1.229 55.235 54.000 0.010 0.000 0.826 135 D CB -0.258 40.550 40.800 0.012 0.000 0.978 135 D HN 0.279 nan 8.370 nan 0.000 0.456 136 D N 0.772 121.141 120.400 -0.052 0.000 2.104 136 D HA -0.125 4.514 4.640 -0.001 0.000 0.194 136 D C 2.030 178.257 176.300 -0.123 0.000 0.994 136 D CA 1.410 55.355 54.000 -0.092 0.000 0.830 136 D CB -0.323 40.400 40.800 -0.129 0.000 0.959 136 D HN 0.124 nan 8.370 nan 0.000 0.452 137 A N 1.152 123.867 122.820 -0.176 0.000 1.865 137 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 137 A C 2.092 179.638 177.584 -0.064 0.000 1.191 137 A CA 1.759 53.708 52.037 -0.147 0.000 0.623 137 A CB -0.632 18.293 19.000 -0.124 0.000 0.826 137 A HN 0.241 nan 8.150 nan 0.000 0.444 138 E N -0.946 119.235 120.200 -0.032 0.000 2.152 138 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 138 E C 1.904 178.493 176.600 -0.019 0.000 0.983 138 E CA 0.886 57.277 56.400 -0.014 0.000 0.818 138 E CB -0.185 29.516 29.700 0.002 0.000 0.758 138 E HN 0.478 nan 8.360 nan 0.000 0.467 139 L N 0.974 122.181 121.223 -0.026 0.000 2.056 139 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 139 L C 2.187 179.041 176.870 -0.027 0.000 1.078 139 L CA 1.877 56.704 54.840 -0.023 0.000 0.749 139 L CB -0.529 41.516 42.059 -0.023 0.000 0.901 139 L HN 0.021 nan 8.230 nan 0.000 0.433 140 A N -1.839 120.958 122.820 -0.039 0.000 1.930 140 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 140 A C 2.239 179.805 177.584 -0.031 0.000 1.175 140 A CA 2.005 54.018 52.037 -0.039 0.000 0.627 140 A CB -1.095 17.871 19.000 -0.056 0.000 0.815 140 A HN 0.481 nan 8.150 nan 0.000 0.443 141 T N 0.002 114.538 114.554 -0.031 0.000 2.684 141 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 141 T C 1.731 176.422 174.700 -0.015 0.000 1.036 141 T CA 1.621 63.708 62.100 -0.022 0.000 1.148 141 T CB -0.242 68.615 68.868 -0.017 0.000 0.863 141 T HN 0.500 nan 8.240 nan 0.000 0.436 142 R N 0.635 121.127 120.500 -0.014 0.000 2.325 142 R HA 0.330 4.669 4.340 -0.001 0.000 0.214 142 R C 1.440 177.734 176.300 -0.010 0.000 0.961 142 R CA 0.228 56.322 56.100 -0.010 0.000 1.086 142 R CB 0.107 30.403 30.300 -0.007 0.000 1.037 142 R HN 0.279 nan 8.270 nan 0.000 0.493 143 A N -0.282 122.531 122.820 -0.013 0.000 2.551 143 A HA 0.203 4.522 4.320 -0.001 0.000 0.252 143 A C 1.525 179.102 177.584 -0.012 0.000 1.199 143 A CA -0.304 51.726 52.037 -0.012 0.000 0.972 143 A CB 0.285 19.277 19.000 -0.014 0.000 1.153 143 A HN 0.155 nan 8.150 nan 0.000 0.559 144 L N 0.082 121.297 121.223 -0.012 0.000 1.994 144 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 144 L C -0.578 176.287 176.870 -0.008 0.000 1.071 144 L CA 1.599 56.432 54.840 -0.011 0.000 0.745 144 L CB -1.544 40.508 42.059 -0.012 0.000 0.892 144 L HN 0.169 nan 8.230 nan 0.000 0.431 145 P HA -0.222 nan 4.420 nan 0.000 0.216 145 P C 1.342 178.639 177.300 -0.005 0.000 1.153 145 P CA 1.401 64.498 63.100 -0.005 0.000 0.858 145 P CB 0.114 31.811 31.700 -0.004 0.000 0.789 146 E N -0.204 119.993 120.200 -0.006 0.000 2.028 146 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 146 E C 1.924 178.520 176.600 -0.005 0.000 0.988 146 E CA 1.193 57.590 56.400 -0.005 0.000 0.799 146 E CB -1.171 28.526 29.700 -0.005 0.000 0.755 146 E HN 0.100 nan 8.360 nan 0.000 0.447 147 L N 0.022 121.241 121.223 -0.007 0.000 2.131 147 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 147 L C 2.320 179.187 176.870 -0.006 0.000 1.092 147 L CA 1.605 56.441 54.840 -0.007 0.000 0.759 147 L CB -0.477 41.576 42.059 -0.009 0.000 0.903 147 L HN 0.216 nan 8.230 nan 0.000 0.435 148 T N -1.033 113.518 114.554 -0.005 0.000 2.942 148 T HA -0.155 4.194 4.350 -0.001 0.000 0.265 148 T C 1.892 176.590 174.700 -0.003 0.000 1.062 148 T CA 0.892 62.990 62.100 -0.004 0.000 1.139 148 T CB 0.067 68.933 68.868 -0.004 0.000 0.883 148 T HN 0.232 nan 8.240 nan 0.000 0.468 149 K N 0.939 121.337 120.400 -0.003 0.000 2.001 149 K HA 0.034 4.353 4.320 -0.001 0.000 0.208 149 K C 2.187 178.786 176.600 -0.003 0.000 1.048 149 K CA 1.004 57.290 56.287 -0.003 0.000 0.932 149 K CB -0.254 32.244 32.500 -0.003 0.000 0.715 149 K HN 0.240 nan 8.250 nan 0.000 0.437 150 L N 0.988 122.209 121.223 -0.003 0.000 2.017 150 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 150 L C 2.583 179.452 176.870 -0.002 0.000 1.073 150 L CA 0.957 55.795 54.840 -0.003 0.000 0.745 150 L CB -0.393 41.664 42.059 -0.003 0.000 0.894 150 L HN 0.296 nan 8.230 nan 0.000 0.432 151 L N -0.026 121.195 121.223 -0.003 0.000 2.187 151 L HA -0.234 4.106 4.340 -0.001 0.000 0.213 151 L C 2.192 179.061 176.870 -0.001 0.000 1.100 151 L CA 1.263 56.102 54.840 -0.002 0.000 0.765 151 L CB -0.232 41.825 42.059 -0.003 0.000 0.904 151 L HN 0.373 nan 8.230 nan 0.000 0.437 152 N N -0.440 118.259 118.700 -0.002 0.000 2.368 152 N HA -0.089 4.650 4.740 -0.001 0.000 0.176 152 N C 0.142 175.651 175.510 -0.001 0.000 1.021 152 N CA 0.417 53.466 53.050 -0.001 0.000 0.888 152 N CB -0.284 38.202 38.487 -0.002 0.000 0.995 152 N HN 0.310 nan 8.380 nan 0.000 0.437 153 D N 2.293 122.693 120.400 -0.001 0.000 2.455 153 D HA -0.080 4.559 4.640 -0.001 0.000 0.265 153 D C -0.389 175.911 176.300 -0.001 0.000 1.284 153 D CA 0.362 54.361 54.000 -0.001 0.000 0.944 153 D CB 0.199 40.998 40.800 -0.001 0.000 1.121 153 D HN 0.050 nan 8.370 nan 0.000 0.525 154 E N 3.903 124.102 120.200 -0.001 0.000 1.814 154 E HA 0.137 4.487 4.350 -0.001 0.000 0.264 154 E C -0.787 175.813 176.600 -0.000 0.000 1.179 154 E CA -0.031 56.369 56.400 -0.000 0.000 0.972 154 E CB 0.500 30.200 29.700 -0.000 0.000 1.077 154 E HN 0.417 nan 8.360 nan 0.000 0.417 155 D N 2.596 122.996 120.400 -0.000 0.000 2.312 155 D HA 0.140 4.779 4.640 -0.001 0.000 0.229 155 D C -2.081 174.220 176.300 0.000 0.000 1.337 155 D CA -1.675 52.325 54.000 0.000 0.000 0.964 155 D CB 1.477 42.277 40.800 -0.000 0.000 1.456 155 D HN -0.006 nan 8.370 nan 0.000 0.547 156 P HA -0.265 nan 4.420 nan 0.000 0.222 156 P C 1.576 178.876 177.300 0.001 0.000 1.155 156 P CA 0.891 63.991 63.100 0.001 0.000 0.890 156 P CB 0.346 32.047 31.700 0.001 0.000 0.790 157 V N -1.046 118.868 119.914 0.000 0.000 2.370 157 V HA -0.238 3.882 4.120 -0.001 0.000 0.252 157 V C 2.411 178.505 176.094 -0.000 0.000 1.068 157 V CA 2.025 64.325 62.300 0.000 0.000 1.061 157 V CB -1.107 30.716 31.823 -0.000 0.000 0.656 157 V HN 0.019 nan 8.190 nan 0.000 0.455 158 V N -1.107 118.807 119.914 -0.000 0.000 2.379 158 V HA -0.108 4.011 4.120 -0.001 0.000 0.243 158 V C 2.349 178.442 176.094 -0.001 0.000 1.035 158 V CA 1.323 63.623 62.300 -0.001 0.000 1.035 158 V CB 0.014 31.836 31.823 -0.001 0.000 0.673 158 V HN 0.359 nan 8.190 nan 0.000 0.457 159 V N 0.015 119.929 119.914 -0.001 0.000 2.282 159 V HA -0.344 3.775 4.120 -0.001 0.000 0.249 159 V C 2.709 178.802 176.094 -0.001 0.000 1.057 159 V CA 2.848 65.147 62.300 -0.001 0.000 1.032 159 V CB -0.890 30.933 31.823 0.000 0.000 0.645 159 V HN 0.663 nan 8.190 nan 0.000 0.447 160 T N -1.007 113.547 114.554 -0.000 0.000 2.788 160 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 160 T C 1.865 176.564 174.700 -0.001 0.000 1.044 160 T CA 1.671 63.771 62.100 -0.000 0.000 1.139 160 T CB -0.162 68.707 68.868 0.001 0.000 0.867 160 T HN 0.511 nan 8.240 nan 0.000 0.454 161 K N 0.344 120.744 120.400 -0.001 0.000 2.288 161 K HA 0.195 4.514 4.320 -0.001 0.000 0.201 161 K C 2.412 179.011 176.600 -0.002 0.000 1.048 161 K CA 0.770 57.056 56.287 -0.001 0.000 0.956 161 K CB -0.065 32.435 32.500 -0.001 0.000 0.746 161 K HN 0.328 nan 8.250 nan 0.000 0.461 162 A N 1.346 124.164 122.820 -0.003 0.000 1.874 162 A HA 0.031 4.350 4.320 -0.001 0.000 0.214 162 A C 2.299 179.880 177.584 -0.006 0.000 1.189 162 A CA 1.367 53.402 52.037 -0.004 0.000 0.615 162 A CB -0.478 18.520 19.000 -0.004 0.000 0.830 162 A HN 0.263 nan 8.150 nan 0.000 0.443 163 A N -0.846 121.971 122.820 -0.006 0.000 2.121 163 A HA 0.033 4.352 4.320 -0.001 0.000 0.218 163 A C 2.119 179.697 177.584 -0.011 0.000 1.154 163 A CA 1.385 53.417 52.037 -0.008 0.000 0.679 163 A CB -0.533 18.463 19.000 -0.007 0.000 0.795 163 A HN 0.539 nan 8.150 nan 0.000 0.458 164 M N -1.191 118.404 119.600 -0.007 0.000 2.193 164 M HA 0.035 4.514 4.480 -0.001 0.000 0.265 164 M C 2.203 178.499 176.300 -0.006 0.000 1.071 164 M CA 1.448 56.744 55.300 -0.006 0.000 1.140 164 M CB -0.236 32.363 32.600 -0.002 0.000 1.369 164 M HN 0.563 nan 8.290 nan 0.000 0.423 165 I N -0.063 120.503 120.570 -0.006 0.000 2.406 165 I HA -0.185 3.984 4.170 -0.001 0.000 0.249 165 I C 1.950 178.061 176.117 -0.009 0.000 1.122 165 I CA 0.786 62.082 61.300 -0.006 0.000 1.431 165 I CB 0.206 38.203 38.000 -0.005 0.000 1.087 165 I HN -0.027 nan 8.210 nan 0.000 0.424 166 V N 1.627 121.535 119.914 -0.011 0.000 2.407 166 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 166 V C 2.238 178.322 176.094 -0.017 0.000 1.055 166 V CA 2.245 64.536 62.300 -0.014 0.000 1.049 166 V CB -1.142 30.673 31.823 -0.013 0.000 0.662 166 V HN 0.534 nan 8.190 nan 0.000 0.455 167 N N 0.055 118.744 118.700 -0.019 0.000 2.166 167 N HA -0.187 4.552 4.740 -0.001 0.000 0.186 167 N C 1.914 177.415 175.510 -0.015 0.000 1.019 167 N CA 1.545 54.580 53.050 -0.025 0.000 0.856 167 N CB -0.138 38.328 38.487 -0.035 0.000 0.993 167 N HN 0.543 nan 8.380 nan 0.000 0.426 168 Q N -0.450 119.345 119.800 -0.008 0.000 2.172 168 Q HA 0.014 4.353 4.340 -0.001 0.000 0.200 168 Q C 1.948 177.945 176.000 -0.005 0.000 0.964 168 Q CA 0.747 56.550 55.803 -0.001 0.000 0.855 168 Q CB 0.054 28.795 28.738 0.004 0.000 0.918 168 Q HN 0.460 nan 8.270 nan 0.000 0.444 169 L N 0.532 121.747 121.223 -0.013 0.000 2.141 169 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 169 L C 2.419 179.269 176.870 -0.033 0.000 1.094 169 L CA 1.148 55.974 54.840 -0.024 0.000 0.763 169 L CB -0.448 41.595 42.059 -0.027 0.000 0.908 169 L HN 0.240 nan 8.230 nan 0.000 0.437 170 S N -1.018 114.667 115.700 -0.024 0.000 2.561 170 S HA -0.059 4.410 4.470 -0.001 0.000 0.225 170 S C 1.683 176.273 174.600 -0.017 0.000 0.977 170 S CA 0.254 58.442 58.200 -0.020 0.000 0.926 170 S CB -0.121 63.075 63.200 -0.006 0.000 0.769 170 S HN 0.388 nan 8.310 nan 0.000 0.533 171 K N 0.783 121.171 120.400 -0.021 0.000 2.305 171 K HA 0.166 4.485 4.320 -0.001 0.000 0.199 171 K C 0.348 176.904 176.600 -0.075 0.000 1.047 171 K CA 0.526 56.797 56.287 -0.026 0.000 0.976 171 K CB 0.118 32.616 32.500 -0.004 0.000 0.765 171 K HN 0.370 nan 8.250 nan 0.000 0.474 172 K N 0.952 121.301 120.400 -0.085 0.000 2.110 172 K HA 0.119 4.438 4.320 -0.001 0.000 0.263 172 K C 0.648 177.172 176.600 -0.127 0.000 0.975 172 K CA -0.302 55.894 56.287 -0.151 0.000 0.895 172 K CB 1.650 34.095 32.500 -0.091 0.000 1.060 172 K HN -0.039 nan 8.250 nan 0.000 0.448 173 E N 1.611 121.734 120.200 -0.127 0.000 2.017 173 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 173 E C 1.875 178.373 176.600 -0.171 0.000 0.997 173 E CA 1.470 57.834 56.400 -0.059 0.000 0.804 173 E CB -0.047 29.709 29.700 0.092 0.000 0.757 173 E HN 0.759 nan 8.360 nan 0.000 0.448 174 A N 1.183 123.755 122.820 -0.412 0.000 1.927 174 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 174 A C 2.304 179.674 177.584 -0.358 0.000 1.185 174 A CA 2.707 54.273 52.037 -0.786 0.000 0.639 174 A CB -0.599 17.767 19.000 -1.057 0.000 0.820 174 A HN 0.382 nan 8.150 nan 0.000 0.451 175 S N -1.285 114.277 115.700 -0.229 0.000 2.470 175 S HA 0.027 4.496 4.470 -0.001 0.000 0.222 175 S C 1.878 176.410 174.600 -0.114 0.000 1.024 175 S CA 0.603 58.718 58.200 -0.142 0.000 0.931 175 S CB -0.256 62.885 63.200 -0.099 0.000 0.791 175 S HN 0.633 nan 8.310 nan 0.000 0.513 176 R N 1.757 122.185 120.500 -0.120 0.000 2.073 176 R HA 0.025 4.364 4.340 -0.001 0.000 0.234 176 R C 2.455 178.661 176.300 -0.157 0.000 1.134 176 R CA 1.264 57.297 56.100 -0.112 0.000 0.952 176 R CB -0.153 30.088 30.300 -0.097 0.000 0.850 176 R HN 0.355 nan 8.270 nan 0.000 0.433 177 R N -0.248 120.136 120.500 -0.193 0.000 2.115 177 R HA -0.038 4.301 4.340 -0.001 0.000 0.230 177 R C 2.312 178.547 176.300 -0.107 0.000 1.111 177 R CA 1.076 57.061 56.100 -0.192 0.000 0.976 177 R CB -0.247 29.964 30.300 -0.149 0.000 0.870 177 R HN 0.267 nan 8.270 nan 0.000 0.445 178 A N 1.457 124.223 122.820 -0.090 0.000 1.902 178 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 178 A C 2.167 179.721 177.584 -0.051 0.000 1.181 178 A CA 1.183 53.183 52.037 -0.061 0.000 0.623 178 A CB -0.511 18.451 19.000 -0.063 0.000 0.818 178 A HN 0.165 nan 8.150 nan 0.000 0.443 179 L N -0.663 120.526 121.223 -0.057 0.000 2.056 179 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 179 L C 2.908 179.760 176.870 -0.029 0.000 1.078 179 L CA 1.832 56.649 54.840 -0.038 0.000 0.749 179 L CB -0.663 41.375 42.059 -0.035 0.000 0.901 179 L HN 0.713 nan 8.230 nan 0.000 0.433 180 M N -0.771 118.803 119.600 -0.044 0.000 2.394 180 M HA 0.049 4.528 4.480 -0.001 0.000 0.264 180 M C 1.951 178.241 176.300 -0.016 0.000 1.073 180 M CA 1.794 57.079 55.300 -0.025 0.000 1.111 180 M CB -0.748 31.827 32.600 -0.043 0.000 1.401 180 M HN 0.065 nan 8.290 nan 0.000 0.448 181 G N 0.491 109.274 108.800 -0.027 0.000 2.448 181 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.218 181 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.218 181 G C 0.636 175.533 174.900 -0.006 0.000 1.135 181 G CA 0.549 45.640 45.100 -0.015 0.000 0.784 181 G HN 0.512 nan 8.290 nan 0.000 0.543 182 S N 0.726 116.422 115.700 -0.007 0.000 2.422 182 S HA 0.464 4.933 4.470 -0.001 0.000 0.298 182 S C -1.316 173.286 174.600 0.003 0.000 1.118 182 S CA -1.452 56.747 58.200 -0.003 0.000 1.083 182 S CB 1.761 64.957 63.200 -0.006 0.000 0.971 182 S HN -0.062 nan 8.310 nan 0.000 0.478 183 P HA -0.076 nan 4.420 nan 0.000 0.221 183 P C 1.370 178.674 177.300 0.007 0.000 1.150 183 P CA 0.716 63.823 63.100 0.011 0.000 0.800 183 P CB 0.186 31.893 31.700 0.012 0.000 0.787 184 Q N -0.636 119.166 119.800 0.003 0.000 2.050 184 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 184 Q C 2.125 178.125 176.000 0.001 0.000 0.980 184 Q CA 1.128 56.932 55.803 0.001 0.000 0.840 184 Q CB -1.392 27.346 28.738 -0.000 0.000 0.898 184 Q HN 0.247 nan 8.270 nan 0.000 0.424 185 L N 0.502 121.725 121.223 -0.000 0.000 2.046 185 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 185 L C 2.278 179.150 176.870 0.003 0.000 1.077 185 L CA 1.298 56.138 54.840 -0.001 0.000 0.747 185 L CB -0.667 41.389 42.059 -0.005 0.000 0.896 185 L HN -0.049 nan 8.230 nan 0.000 0.432 186 V N 0.015 119.933 119.914 0.007 0.000 2.295 186 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 186 V C 2.787 178.888 176.094 0.011 0.000 1.049 186 V CA 1.670 63.978 62.300 0.013 0.000 1.024 186 V CB -1.440 30.395 31.823 0.021 0.000 0.648 186 V HN 0.592 nan 8.190 nan 0.000 0.447 187 A N -0.108 122.716 122.820 0.007 0.000 1.933 187 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 187 A C 2.413 179.997 177.584 0.001 0.000 1.175 187 A CA 2.062 54.100 52.037 0.002 0.000 0.628 187 A CB -0.716 18.283 19.000 -0.002 0.000 0.814 187 A HN 0.571 nan 8.150 nan 0.000 0.444 188 A N -0.604 122.217 122.820 0.002 0.000 1.873 188 A HA 0.014 4.334 4.320 -0.001 0.000 0.215 188 A C 2.241 179.827 177.584 0.003 0.000 1.186 188 A CA 1.734 53.771 52.037 0.001 0.000 0.616 188 A CB -0.961 18.039 19.000 -0.000 0.000 0.823 188 A HN 0.363 nan 8.150 nan 0.000 0.442 189 V N -0.398 119.519 119.914 0.004 0.000 2.295 189 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 189 V C 2.598 178.698 176.094 0.010 0.000 1.049 189 V CA 2.001 64.305 62.300 0.006 0.000 1.024 189 V CB -0.773 31.055 31.823 0.008 0.000 0.648 189 V HN 0.366 nan 8.190 nan 0.000 0.447 190 V N 0.057 119.978 119.914 0.012 0.000 2.252 190 V HA -0.328 3.791 4.120 -0.001 0.000 0.249 190 V C 2.630 178.729 176.094 0.009 0.000 1.056 190 V CA 2.435 64.743 62.300 0.013 0.000 1.022 190 V CB -0.783 31.046 31.823 0.009 0.000 0.641 190 V HN 0.508 nan 8.190 nan 0.000 0.445 191 R N -0.465 120.037 120.500 0.004 0.000 2.083 191 R HA -0.175 4.164 4.340 -0.001 0.000 0.237 191 R C 2.329 178.632 176.300 0.005 0.000 1.137 191 R CA 2.008 58.110 56.100 0.002 0.000 0.951 191 R CB -1.020 29.280 30.300 -0.001 0.000 0.851 191 R HN 0.482 nan 8.270 nan 0.000 0.434 192 T N 1.484 116.041 114.554 0.005 0.000 2.803 192 T HA -0.178 4.171 4.350 -0.001 0.000 0.269 192 T C 1.701 176.407 174.700 0.010 0.000 1.052 192 T CA 1.324 63.428 62.100 0.006 0.000 1.136 192 T CB -0.098 68.773 68.868 0.004 0.000 0.864 192 T HN 0.243 nan 8.240 nan 0.000 0.467 193 M N 1.270 120.878 119.600 0.013 0.000 2.077 193 M HA -0.130 4.349 4.480 -0.001 0.000 0.261 193 M C 2.210 178.523 176.300 0.021 0.000 1.070 193 M CA 1.623 56.935 55.300 0.020 0.000 1.125 193 M CB -0.167 32.449 32.600 0.027 0.000 1.339 193 M HN 0.261 nan 8.290 nan 0.000 0.409 194 Q N -0.656 119.155 119.800 0.018 0.000 2.329 194 Q HA 0.022 4.361 4.340 -0.001 0.000 0.208 194 Q C 0.181 176.189 176.000 0.013 0.000 0.934 194 Q CA 0.324 56.137 55.803 0.017 0.000 0.951 194 Q CB -0.011 28.736 28.738 0.014 0.000 1.017 194 Q HN 0.469 nan 8.270 nan 0.000 0.490 195 N N 0.266 118.972 118.700 0.011 0.000 3.046 195 N HA -0.001 4.738 4.740 -0.001 0.000 0.240 195 N C 0.096 175.612 175.510 0.009 0.000 1.017 195 N CA 0.734 53.789 53.050 0.008 0.000 1.126 195 N CB -0.459 38.032 38.487 0.006 0.000 1.642 195 N HN 0.181 nan 8.380 nan 0.000 0.548 196 T N 0.466 115.025 114.554 0.009 0.000 2.923 196 T HA -0.016 4.333 4.350 -0.001 0.000 0.320 196 T C 0.905 175.611 174.700 0.010 0.000 1.074 196 T CA 0.664 62.770 62.100 0.009 0.000 1.131 196 T CB 0.238 69.111 68.868 0.009 0.000 1.058 196 T HN 0.136 nan 8.240 nan 0.000 0.535 197 S N 1.744 117.449 115.700 0.008 0.000 2.559 197 S HA 0.143 4.612 4.470 -0.001 0.000 0.226 197 S C 0.135 174.739 174.600 0.007 0.000 1.030 197 S CA -0.434 57.771 58.200 0.008 0.000 0.956 197 S CB 0.265 63.468 63.200 0.006 0.000 0.900 197 S HN 0.865 nan 8.310 nan 0.000 0.510 198 D N 2.335 122.739 120.400 0.007 0.000 2.382 198 D HA 0.067 4.706 4.640 -0.001 0.000 0.259 198 D C 1.086 177.391 176.300 0.008 0.000 1.224 198 D CA 0.026 54.029 54.000 0.005 0.000 0.894 198 D CB 0.354 41.157 40.800 0.004 0.000 1.127 198 D HN 0.079 nan 8.370 nan 0.000 0.487 199 L N 3.813 125.040 121.223 0.006 0.000 2.013 199 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 199 L C 1.298 178.176 176.870 0.013 0.000 1.073 199 L CA 1.610 56.455 54.840 0.009 0.000 0.753 199 L CB -0.070 41.990 42.059 0.001 0.000 0.890 199 L HN 0.453 nan 8.230 nan 0.000 0.432 200 D N -0.735 119.671 120.400 0.009 0.000 2.126 200 D HA -0.205 4.434 4.640 -0.001 0.000 0.190 200 D C 2.085 178.392 176.300 0.011 0.000 1.001 200 D CA 2.106 56.112 54.000 0.010 0.000 0.841 200 D CB -0.389 40.415 40.800 0.006 0.000 0.949 200 D HN 0.372 nan 8.370 nan 0.000 0.446 201 T N 0.178 114.737 114.554 0.008 0.000 2.737 201 T HA -0.050 4.299 4.350 -0.001 0.000 0.265 201 T C 1.869 176.575 174.700 0.011 0.000 1.038 201 T CA 1.437 63.541 62.100 0.007 0.000 1.144 201 T CB -0.285 68.587 68.868 0.006 0.000 0.866 201 T HN 0.205 nan 8.240 nan 0.000 0.434 202 A N 1.015 123.845 122.820 0.018 0.000 2.209 202 A HA 0.090 4.409 4.320 -0.001 0.000 0.212 202 A C 2.172 179.781 177.584 0.042 0.000 1.158 202 A CA 0.936 52.989 52.037 0.028 0.000 0.742 202 A CB -0.426 18.591 19.000 0.029 0.000 0.790 202 A HN 0.428 nan 8.150 nan 0.000 0.472 203 R N -2.010 118.514 120.500 0.039 0.000 2.206 203 R HA 0.060 4.399 4.340 -0.001 0.000 0.198 203 R C 1.763 178.065 176.300 0.004 0.000 0.986 203 R CA 1.079 57.218 56.100 0.065 0.000 1.029 203 R CB -0.425 29.921 30.300 0.076 0.000 0.966 203 R HN 0.386 nan 8.270 nan 0.000 0.487 204 C N 0.780 120.074 119.300 -0.010 0.000 2.467 204 C HA 0.035 4.494 4.460 -0.001 0.000 0.279 204 C C 2.675 177.631 174.990 -0.057 0.000 1.347 204 C CA 1.577 60.572 59.018 -0.038 0.000 1.748 204 C CB -0.315 27.415 27.740 -0.016 0.000 1.977 204 C HN 0.747 nan 8.230 nan 0.000 0.501 205 T N -4.009 110.527 114.554 -0.030 0.000 3.054 205 T HA -0.076 4.273 4.350 -0.001 0.000 0.259 205 T C 1.620 176.308 174.700 -0.020 0.000 1.092 205 T CA 1.750 63.838 62.100 -0.020 0.000 1.121 205 T CB -0.513 68.355 68.868 0.001 0.000 0.912 205 T HN 0.397 nan 8.240 nan 0.000 0.489 206 T N 1.864 116.405 114.554 -0.023 0.000 3.023 206 T HA 0.022 4.371 4.350 -0.001 0.000 0.266 206 T C 2.118 176.746 174.700 -0.120 0.000 1.093 206 T CA 1.342 63.451 62.100 0.016 0.000 1.129 206 T CB -0.504 68.431 68.868 0.112 0.000 0.899 206 T HN 0.682 nan 8.240 nan 0.000 0.491 207 S N 1.134 116.600 115.700 -0.390 0.000 2.439 207 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 207 S C 2.079 176.542 174.600 -0.228 0.000 1.029 207 S CA 0.476 58.199 58.200 -0.794 0.000 0.946 207 S CB -0.606 61.957 63.200 -1.062 0.000 0.797 207 S HN 0.698 nan 8.310 nan 0.000 0.504 208 I N 0.766 121.269 120.570 -0.111 0.000 2.163 208 I HA -0.095 4.074 4.170 -0.001 0.000 0.240 208 I C 2.463 178.604 176.117 0.040 0.000 1.081 208 I CA 1.153 62.442 61.300 -0.019 0.000 1.353 208 I CB -1.029 36.962 38.000 -0.016 0.000 1.054 208 I HN 0.195 nan 8.210 nan 0.000 0.407 209 L N 0.836 122.088 121.223 0.048 0.000 2.012 209 L HA -0.273 4.067 4.340 -0.001 0.000 0.210 209 L C 2.955 179.905 176.870 0.134 0.000 1.073 209 L CA 2.277 57.168 54.840 0.086 0.000 0.748 209 L CB -1.187 40.924 42.059 0.086 0.000 0.891 209 L HN 0.427 nan 8.230 nan 0.000 0.431 210 H N 0.712 119.832 119.070 0.084 0.000 2.289 210 H HA -0.204 4.351 4.556 -0.002 0.000 0.296 210 H C 2.122 177.608 175.328 0.264 0.000 1.091 210 H CA 2.358 58.509 56.048 0.171 0.000 1.274 210 H CB -0.031 29.893 29.762 0.270 0.000 1.364 210 H HN 0.251 nan 8.280 nan 0.000 0.490 211 N N 0.489 119.274 118.700 0.141 0.000 2.069 211 N HA -0.138 4.601 4.740 -0.001 0.000 0.191 211 N C 2.152 177.806 175.510 0.241 0.000 1.031 211 N CA 1.523 54.675 53.050 0.170 0.000 0.852 211 N CB -0.470 38.081 38.487 0.106 0.000 1.018 211 N HN 0.414 nan 8.380 nan 0.000 0.423 212 L N 1.089 122.408 121.223 0.160 0.000 2.265 212 L HA -0.067 4.272 4.340 -0.001 0.000 0.215 212 L C 2.014 178.988 176.870 0.174 0.000 1.117 212 L CA 0.916 55.859 54.840 0.172 0.000 0.782 212 L CB -0.570 41.545 42.059 0.094 0.000 0.914 212 L HN 0.242 nan 8.230 nan 0.000 0.441 213 S N -2.312 113.436 115.700 0.081 0.000 2.607 213 S HA -0.105 4.364 4.470 -0.001 0.000 0.224 213 S C 1.502 176.036 174.600 -0.110 0.000 0.969 213 S CA 0.199 58.395 58.200 -0.007 0.000 0.927 213 S CB -0.499 62.672 63.200 -0.049 0.000 0.772 213 S HN 0.480 nan 8.310 nan 0.000 0.533 214 H N 1.069 120.093 119.070 -0.078 0.000 2.543 214 H HA 0.202 4.757 4.556 -0.001 0.000 0.269 214 H C -0.180 174.839 175.328 -0.515 0.000 1.005 214 H CA 0.528 56.417 56.048 -0.265 0.000 1.146 214 H CB 0.040 29.605 29.762 -0.329 0.000 1.353 214 H HN 0.582 nan 8.280 nan 0.000 0.595 215 H N -0.104 118.988 119.070 0.037 0.000 2.759 215 H HA 0.202 4.757 4.556 -0.001 0.000 0.354 215 H C 0.756 176.074 175.328 -0.018 0.000 1.074 215 H CA -0.689 55.361 56.048 0.003 0.000 1.226 215 H CB 1.922 31.696 29.762 0.020 0.000 1.648 215 H HN 0.014 nan 8.280 nan 0.000 0.529 216 R N 1.436 121.960 120.500 0.041 0.000 2.103 216 R HA -0.144 4.196 4.340 -0.001 0.000 0.242 216 R C 1.228 177.554 176.300 0.044 0.000 1.142 216 R CA 1.229 57.331 56.100 0.005 0.000 0.960 216 R CB -0.097 30.180 30.300 -0.039 0.000 0.858 216 R HN 0.736 nan 8.270 nan 0.000 0.439 217 E N -0.618 119.620 120.200 0.064 0.000 2.204 217 E HA -0.089 4.260 4.350 -0.001 0.000 0.194 217 E C 2.006 178.645 176.600 0.066 0.000 0.989 217 E CA 1.021 57.453 56.400 0.053 0.000 0.824 217 E CB -0.143 29.579 29.700 0.036 0.000 0.756 217 E HN 0.487 nan 8.360 nan 0.000 0.477 218 G N 1.395 110.254 108.800 0.098 0.000 2.396 218 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.214 218 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.214 218 G C 1.616 176.574 174.900 0.096 0.000 1.166 218 G CA 0.139 45.299 45.100 0.099 0.000 0.793 218 G HN 0.049 nan 8.290 nan 0.000 0.533 219 L N -0.210 121.069 121.223 0.093 0.000 2.012 219 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 219 L C 2.704 179.646 176.870 0.120 0.000 1.073 219 L CA 0.831 55.727 54.840 0.094 0.000 0.748 219 L CB -0.497 41.607 42.059 0.075 0.000 0.891 219 L HN 0.227 nan 8.230 nan 0.000 0.431 220 L N -0.036 121.243 121.223 0.094 0.000 2.046 220 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 220 L C 2.602 179.575 176.870 0.173 0.000 1.077 220 L CA 1.959 56.873 54.840 0.122 0.000 0.747 220 L CB -0.656 41.444 42.059 0.068 0.000 0.896 220 L HN 0.167 nan 8.230 nan 0.000 0.432 221 A N -0.176 122.713 122.820 0.115 0.000 1.877 221 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 221 A C 2.271 179.914 177.584 0.098 0.000 1.186 221 A CA 2.082 54.175 52.037 0.092 0.000 0.620 221 A CB -0.884 18.152 19.000 0.061 0.000 0.822 221 A HN 0.485 nan 8.150 nan 0.000 0.443 222 I N -1.689 118.946 120.570 0.109 0.000 2.163 222 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 222 I C 2.409 178.597 176.117 0.119 0.000 1.085 222 I CA 1.974 63.334 61.300 0.102 0.000 1.347 222 I CB -0.450 37.616 38.000 0.109 0.000 1.044 222 I HN 0.480 nan 8.210 nan 0.000 0.408 223 F N 2.121 122.085 119.950 0.024 0.000 2.095 223 F HA -0.263 4.263 4.527 -0.001 0.000 0.298 223 F C 2.411 178.221 175.800 0.017 0.000 1.104 223 F CA 1.853 59.865 58.000 0.020 0.000 1.232 223 F CB -0.260 38.752 39.000 0.020 0.000 0.987 223 F HN -0.140 nan 8.300 nan 0.000 0.475 224 K N -0.351 120.069 120.400 0.033 0.000 2.217 224 K HA -0.033 4.286 4.320 -0.001 0.000 0.202 224 K C 1.830 178.373 176.600 -0.096 0.000 1.051 224 K CA 1.207 57.452 56.287 -0.069 0.000 0.952 224 K CB -0.208 32.337 32.500 0.075 0.000 0.736 224 K HN 0.153 nan 8.250 nan 0.000 0.453 225 S N 0.142 115.812 115.700 -0.050 0.000 2.603 225 S HA 0.064 4.533 4.470 -0.001 0.000 0.220 225 S C 0.954 175.512 174.600 -0.069 0.000 0.967 225 S CA 0.562 58.738 58.200 -0.041 0.000 0.920 225 S CB 0.335 63.532 63.200 -0.006 0.000 0.773 225 S HN 0.569 nan 8.310 nan 0.000 0.529 226 G N 1.237 109.958 108.800 -0.132 0.000 2.246 226 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.273 226 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.273 226 G C 0.750 175.611 174.900 -0.066 0.000 1.055 226 G CA 0.153 45.172 45.100 -0.135 0.000 0.851 226 G HN 0.609 nan 8.290 nan 0.000 0.500 227 G N -0.321 108.458 108.800 -0.035 0.000 2.471 227 G HA2 0.030 3.990 3.960 -0.001 0.000 0.219 227 G HA3 0.030 3.990 3.960 -0.001 0.000 0.219 227 G C 1.774 176.689 174.900 0.025 0.000 1.125 227 G CA 1.122 46.229 45.100 0.012 0.000 0.775 227 G HN 0.626 nan 8.290 nan 0.000 0.548 228 I N 1.387 121.966 120.570 0.015 0.000 2.127 228 I HA -0.132 4.037 4.170 -0.001 0.000 0.241 228 I C -0.037 176.096 176.117 0.025 0.000 1.075 228 I CA 1.212 62.534 61.300 0.036 0.000 1.334 228 I CB -0.949 37.077 38.000 0.043 0.000 1.040 228 I HN 0.136 nan 8.210 nan 0.000 0.405 229 P HA -0.187 nan 4.420 nan 0.000 0.214 229 P C 1.555 178.866 177.300 0.018 0.000 1.163 229 P CA 2.015 65.120 63.100 0.007 0.000 0.883 229 P CB -0.089 31.605 31.700 -0.009 0.000 0.788 230 A N -0.517 122.313 122.820 0.016 0.000 1.903 230 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 230 A C 2.281 179.889 177.584 0.041 0.000 1.191 230 A CA 1.856 53.908 52.037 0.025 0.000 0.638 230 A CB -1.791 17.222 19.000 0.022 0.000 0.823 230 A HN 0.127 nan 8.150 nan 0.000 0.451 231 L N -0.726 120.528 121.223 0.051 0.000 2.093 231 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 231 L C 2.517 179.430 176.870 0.071 0.000 1.085 231 L CA 0.860 55.743 54.840 0.072 0.000 0.755 231 L CB -0.446 41.663 42.059 0.085 0.000 0.904 231 L HN 0.263 nan 8.230 nan 0.000 0.435 232 V N -0.073 119.875 119.914 0.057 0.000 2.343 232 V HA -0.314 3.805 4.120 -0.001 0.000 0.247 232 V C 2.650 178.775 176.094 0.051 0.000 1.051 232 V CA 1.915 64.246 62.300 0.053 0.000 1.036 232 V CB -0.683 31.163 31.823 0.039 0.000 0.654 232 V HN 0.475 nan 8.190 nan 0.000 0.451 233 R N -0.254 120.272 120.500 0.043 0.000 2.127 233 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 233 R C 1.994 178.322 176.300 0.047 0.000 1.134 233 R CA 1.535 57.658 56.100 0.039 0.000 0.975 233 R CB -0.137 30.181 30.300 0.030 0.000 0.865 233 R HN 0.325 nan 8.270 nan 0.000 0.447 234 M N 0.578 120.214 119.600 0.060 0.000 2.659 234 M HA -0.016 4.463 4.480 -0.001 0.000 0.243 234 M C 1.288 177.638 176.300 0.083 0.000 1.111 234 M CA 0.759 56.101 55.300 0.070 0.000 1.070 234 M CB -0.158 32.494 32.600 0.087 0.000 1.525 234 M HN 0.199 nan 8.290 nan 0.000 0.517 235 L N -0.961 120.312 121.223 0.083 0.000 2.645 235 L HA 0.021 4.360 4.340 -0.001 0.000 0.235 235 L C 1.790 178.706 176.870 0.077 0.000 1.150 235 L CA -0.040 54.859 54.840 0.099 0.000 0.911 235 L CB -0.441 41.679 42.059 0.101 0.000 1.077 235 L HN 0.201 nan 8.230 nan 0.000 0.438 236 S N -1.049 114.684 115.700 0.056 0.000 2.427 236 S HA -0.038 4.431 4.470 -0.001 0.000 0.224 236 S C 1.106 175.723 174.600 0.029 0.000 1.047 236 S CA 0.057 58.281 58.200 0.040 0.000 0.953 236 S CB 0.180 63.398 63.200 0.031 0.000 0.824 236 S HN 0.395 nan 8.310 nan 0.000 0.502 237 S N 2.762 118.478 115.700 0.028 0.000 2.573 237 S HA 0.035 4.504 4.470 -0.001 0.000 0.297 237 S C -2.228 172.366 174.600 -0.009 0.000 1.280 237 S CA -0.842 57.364 58.200 0.010 0.000 1.061 237 S CB 0.595 63.803 63.200 0.014 0.000 0.812 237 S HN 0.079 nan 8.310 nan 0.000 0.500 238 P HA 0.185 nan 4.420 nan 0.000 0.257 238 P C -0.785 176.459 177.300 -0.093 0.000 1.325 238 P CA -0.070 62.998 63.100 -0.053 0.000 0.850 238 P CB 0.070 31.745 31.700 -0.041 0.000 1.324 239 V N 0.397 120.255 119.914 -0.093 0.000 2.465 239 V HA 0.116 4.235 4.120 -0.001 0.000 0.279 239 V C 1.791 177.745 176.094 -0.235 0.000 1.045 239 V CA -0.306 61.912 62.300 -0.137 0.000 0.938 239 V CB 1.221 32.990 31.823 -0.091 0.000 0.986 239 V HN 0.044 nan 8.190 nan 0.000 0.467 240 E N 2.672 122.647 120.200 -0.376 0.000 2.037 240 E HA -0.275 4.074 4.350 -0.001 0.000 0.214 240 E C 2.237 178.370 176.600 -0.778 0.000 1.041 240 E CA 2.279 58.217 56.400 -0.771 0.000 0.872 240 E CB -0.145 29.041 29.700 -0.857 0.000 0.785 240 E HN 0.961 nan 8.360 nan 0.000 0.476 241 S N 0.782 116.157 115.700 -0.542 0.000 2.404 241 S HA -0.245 4.224 4.470 -0.001 0.000 0.230 241 S C 2.231 176.739 174.600 -0.154 0.000 1.046 241 S CA 2.004 59.965 58.200 -0.399 0.000 1.135 241 S CB -1.194 61.925 63.200 -0.133 0.000 1.056 241 S HN 0.151 nan 8.310 nan 0.000 0.426 242 V N 2.018 121.942 119.914 0.016 0.000 2.277 242 V HA -0.206 3.913 4.120 -0.001 0.000 0.253 242 V C 2.656 178.836 176.094 0.142 0.000 1.067 242 V CA 2.235 64.612 62.300 0.128 0.000 1.047 242 V CB -1.041 30.822 31.823 0.067 0.000 0.649 242 V HN 0.395 nan 8.190 nan 0.000 0.447 243 L N -1.363 119.909 121.223 0.082 0.000 2.056 243 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 243 L C 2.165 179.280 176.870 0.407 0.000 1.078 243 L CA 1.867 56.828 54.840 0.202 0.000 0.749 243 L CB -0.958 41.150 42.059 0.082 0.000 0.901 243 L HN 0.230 nan 8.230 nan 0.000 0.433 244 F N -1.317 118.615 119.950 -0.029 0.000 2.102 244 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 244 F C 2.495 178.250 175.800 -0.074 0.000 1.105 244 F CA 0.987 58.958 58.000 -0.050 0.000 1.239 244 F CB -1.367 37.469 39.000 -0.273 0.000 0.991 244 F HN 0.114 nan 8.300 nan 0.000 0.474 245 Y N -0.423 119.978 120.300 0.168 0.000 2.242 245 Y HA -0.156 4.393 4.550 -0.002 0.000 0.291 245 Y C 2.538 178.528 175.900 0.150 0.000 1.137 245 Y CA 0.750 58.878 58.100 0.046 0.000 1.181 245 Y CB -0.611 37.871 38.460 0.037 0.000 0.989 245 Y HN 0.018 nan 8.280 nan 0.000 0.527 246 A N -0.160 122.846 122.820 0.310 0.000 1.898 246 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 246 A C 2.092 179.794 177.584 0.197 0.000 1.181 246 A CA 1.692 53.867 52.037 0.231 0.000 0.620 246 A CB -0.775 18.342 19.000 0.195 0.000 0.819 246 A HN 0.435 nan 8.150 nan 0.000 0.442 247 I N 0.340 121.028 120.570 0.196 0.000 2.277 247 I HA -0.144 4.025 4.170 -0.001 0.000 0.243 247 I C 2.653 178.826 176.117 0.093 0.000 1.094 247 I CA 2.246 63.606 61.300 0.101 0.000 1.393 247 I CB -0.476 37.526 38.000 0.002 0.000 1.078 247 I HN 0.476 nan 8.210 nan 0.000 0.417 248 T N -3.186 111.447 114.554 0.132 0.000 2.929 248 T HA -0.139 4.210 4.350 -0.001 0.000 0.271 248 T C 1.709 176.545 174.700 0.226 0.000 1.085 248 T CA 1.894 64.104 62.100 0.183 0.000 1.125 248 T CB -1.031 68.008 68.868 0.285 0.000 0.874 248 T HN 0.301 nan 8.240 nan 0.000 0.494 249 T N 1.783 116.481 114.554 0.239 0.000 2.937 249 T HA 0.298 4.647 4.350 -0.001 0.000 0.260 249 T C 1.871 176.640 174.700 0.115 0.000 1.051 249 T CA 0.463 62.667 62.100 0.173 0.000 1.141 249 T CB -0.270 68.721 68.868 0.205 0.000 0.879 249 T HN 0.280 nan 8.240 nan 0.000 0.459 250 L N 0.315 121.609 121.223 0.117 0.000 2.093 250 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 250 L C 2.644 179.549 176.870 0.060 0.000 1.085 250 L CA 1.260 56.149 54.840 0.082 0.000 0.755 250 L CB -0.641 41.464 42.059 0.076 0.000 0.904 250 L HN 0.436 nan 8.230 nan 0.000 0.435 251 H N 0.711 119.759 119.070 -0.038 0.000 2.319 251 H HA -0.170 4.385 4.556 -0.002 0.000 0.299 251 H C 1.888 177.139 175.328 -0.127 0.000 1.092 251 H CA 1.855 57.848 56.048 -0.091 0.000 1.302 251 H CB 0.297 30.003 29.762 -0.093 0.000 1.373 251 H HN 0.327 nan 8.280 nan 0.000 0.497 252 N N 0.791 119.438 118.700 -0.088 0.000 2.272 252 N HA -0.116 4.623 4.740 -0.001 0.000 0.185 252 N C 2.163 177.603 175.510 -0.117 0.000 1.014 252 N CA 0.671 53.645 53.050 -0.126 0.000 0.870 252 N CB -0.306 38.177 38.487 -0.006 0.000 0.975 252 N HN 0.423 nan 8.380 nan 0.000 0.433 253 L N -0.146 121.038 121.223 -0.065 0.000 2.313 253 L HA 0.038 4.377 4.340 -0.001 0.000 0.214 253 L C 1.753 178.556 176.870 -0.111 0.000 1.119 253 L CA 0.507 55.327 54.840 -0.033 0.000 0.809 253 L CB -0.131 41.958 42.059 0.049 0.000 0.933 253 L HN 0.119 nan 8.230 nan 0.000 0.449 254 L N -0.949 120.161 121.223 -0.189 0.000 2.477 254 L HA -0.016 4.324 4.340 -0.001 0.000 0.220 254 L C 2.096 178.757 176.870 -0.347 0.000 1.106 254 L CA 0.293 55.008 54.840 -0.209 0.000 0.851 254 L CB 0.088 42.050 42.059 -0.161 0.000 0.994 254 L HN 0.261 nan 8.230 nan 0.000 0.462 255 L N -1.986 118.880 121.223 -0.594 0.000 2.416 255 L HA -0.024 4.316 4.340 -0.001 0.000 0.216 255 L C 1.532 177.881 176.870 -0.868 0.000 1.098 255 L CA 1.004 55.303 54.840 -0.902 0.000 0.840 255 L CB 0.097 41.282 42.059 -1.457 0.000 0.981 255 L HN 0.262 nan 8.230 nan 0.000 0.462 256 Y N -2.454 117.759 120.300 -0.144 0.000 3.116 256 Y HA 0.128 4.677 4.550 -0.002 0.000 0.220 256 Y C 0.917 176.736 175.900 -0.134 0.000 0.965 256 Y CA -0.904 57.123 58.100 -0.121 0.000 1.476 256 Y CB 0.049 38.445 38.460 -0.106 0.000 1.493 256 Y HN -0.163 nan 8.280 nan 0.000 0.423 257 Q N 3.111 122.915 119.800 0.007 0.000 2.242 257 Q HA 0.021 4.360 4.340 -0.001 0.000 0.284 257 Q C -0.748 175.098 176.000 -0.256 0.000 1.130 257 Q CA 0.343 56.058 55.803 -0.146 0.000 0.940 257 Q CB 0.150 28.794 28.738 -0.157 0.000 1.146 257 Q HN 0.111 nan 8.270 nan 0.000 0.388 258 E N 2.603 122.637 120.200 -0.276 0.000 2.366 258 E HA 0.381 4.730 4.350 -0.001 0.000 0.266 258 E C 0.802 177.178 176.600 -0.373 0.000 1.051 258 E CA 0.687 56.942 56.400 -0.242 0.000 0.884 258 E CB 1.071 30.684 29.700 -0.146 0.000 1.006 258 E HN 0.848 nan 8.360 nan 0.000 0.417 259 G N 1.732 110.422 108.800 -0.184 0.000 2.195 259 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.246 259 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.246 259 G C 1.052 176.015 174.900 0.104 0.000 0.984 259 G CA 0.871 45.940 45.100 -0.052 0.000 0.633 259 G HN 0.614 nan 8.290 nan 0.000 0.525 260 A N 0.391 123.202 122.820 -0.013 0.000 1.873 260 A HA 0.199 4.518 4.320 -0.001 0.000 0.215 260 A C 2.171 179.817 177.584 0.104 0.000 1.186 260 A CA 2.247 54.373 52.037 0.148 0.000 0.616 260 A CB -0.424 18.600 19.000 0.041 0.000 0.823 260 A HN 0.537 nan 8.150 nan 0.000 0.442 261 K N -0.264 120.157 120.400 0.034 0.000 2.000 261 K HA -0.250 4.069 4.320 -0.001 0.000 0.218 261 K C 2.139 178.764 176.600 0.042 0.000 1.053 261 K CA 2.251 58.553 56.287 0.024 0.000 0.946 261 K CB -0.502 32.002 32.500 0.006 0.000 0.723 261 K HN 0.741 nan 8.250 nan 0.000 0.446 262 M N -0.516 119.113 119.600 0.049 0.000 2.549 262 M HA 0.054 4.533 4.480 -0.001 0.000 0.260 262 M C 1.840 178.176 176.300 0.060 0.000 1.076 262 M CA 1.582 56.910 55.300 0.046 0.000 1.090 262 M CB 0.085 32.711 32.600 0.043 0.000 1.418 262 M HN 0.105 nan 8.290 nan 0.000 0.486 263 A N 0.340 123.218 122.820 0.096 0.000 1.935 263 A HA 0.093 4.412 4.320 -0.001 0.000 0.214 263 A C 2.043 179.661 177.584 0.058 0.000 1.178 263 A CA 1.082 53.173 52.037 0.090 0.000 0.640 263 A CB -0.619 18.482 19.000 0.170 0.000 0.825 263 A HN 0.379 nan 8.150 nan 0.000 0.447 264 V N 0.364 120.315 119.914 0.062 0.000 2.453 264 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 264 V C 2.524 178.635 176.094 0.029 0.000 1.048 264 V CA 1.875 64.201 62.300 0.043 0.000 1.049 264 V CB -0.836 31.011 31.823 0.040 0.000 0.672 264 V HN 0.491 nan 8.190 nan 0.000 0.457 265 R N -0.243 120.272 120.500 0.026 0.000 2.120 265 R HA -0.119 4.220 4.340 -0.001 0.000 0.234 265 R C 2.288 178.597 176.300 0.015 0.000 1.123 265 R CA 1.436 57.546 56.100 0.017 0.000 0.975 265 R CB -0.414 29.895 30.300 0.013 0.000 0.866 265 R HN 0.428 nan 8.270 nan 0.000 0.446 266 L N 0.237 121.471 121.223 0.017 0.000 2.179 266 L HA 0.025 4.364 4.340 -0.001 0.000 0.208 266 L C 1.799 178.674 176.870 0.009 0.000 1.096 266 L CA 0.747 55.594 54.840 0.011 0.000 0.779 266 L CB -0.091 41.974 42.059 0.009 0.000 0.922 266 L HN 0.114 nan 8.230 nan 0.000 0.443 267 A N -1.187 121.641 122.820 0.012 0.000 2.302 267 A HA -0.000 4.319 4.320 -0.001 0.000 0.219 267 A C 0.391 177.984 177.584 0.015 0.000 1.243 267 A CA 0.338 52.383 52.037 0.012 0.000 0.856 267 A CB -0.348 18.660 19.000 0.015 0.000 0.893 267 A HN 0.581 nan 8.150 nan 0.000 0.491 268 D N -1.500 118.908 120.400 0.014 0.000 2.811 268 D HA -0.202 4.437 4.640 -0.001 0.000 0.231 268 D C 1.221 177.532 176.300 0.018 0.000 1.157 268 D CA 1.183 55.191 54.000 0.014 0.000 0.716 268 D CB -1.524 39.284 40.800 0.013 0.000 1.077 268 D HN 0.523 nan 8.370 nan 0.000 0.428 269 G N 0.285 109.097 108.800 0.020 0.000 2.491 269 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 269 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 269 G C 1.836 176.748 174.900 0.020 0.000 1.180 269 G CA 1.055 46.169 45.100 0.024 0.000 0.774 269 G HN 0.462 nan 8.290 nan 0.000 0.562 270 L N -0.122 121.109 121.223 0.013 0.000 2.034 270 L HA -0.274 4.066 4.340 -0.001 0.000 0.217 270 L C 3.137 180.015 176.870 0.013 0.000 1.077 270 L CA 1.859 56.704 54.840 0.008 0.000 0.769 270 L CB -0.632 41.429 42.059 0.005 0.000 0.890 270 L HN 0.224 nan 8.230 nan 0.000 0.435 271 Q N -0.062 119.748 119.800 0.016 0.000 2.234 271 Q HA -0.178 4.161 4.340 -0.001 0.000 0.206 271 Q C 1.843 177.858 176.000 0.025 0.000 0.980 271 Q CA 1.400 57.214 55.803 0.018 0.000 0.869 271 Q CB -0.032 28.716 28.738 0.016 0.000 0.912 271 Q HN 0.473 nan 8.270 nan 0.000 0.436 272 K N -1.143 119.275 120.400 0.030 0.000 2.353 272 K HA 0.226 4.545 4.320 -0.001 0.000 0.195 272 K C 1.457 178.089 176.600 0.052 0.000 1.031 272 K CA 0.169 56.481 56.287 0.041 0.000 1.079 272 K CB 0.448 32.974 32.500 0.044 0.000 0.857 272 K HN 0.227 nan 8.250 nan 0.000 0.535 273 M N 0.198 119.821 119.600 0.038 0.000 2.447 273 M HA -0.033 4.446 4.480 -0.001 0.000 0.266 273 M C 1.991 178.310 176.300 0.031 0.000 1.120 273 M CA 0.854 56.173 55.300 0.032 0.000 1.166 273 M CB -0.041 32.559 32.600 0.000 0.000 1.349 273 M HN -0.153 nan 8.290 nan 0.000 0.463 274 V N 1.447 121.375 119.914 0.024 0.000 2.427 274 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 274 V C -0.629 175.490 176.094 0.042 0.000 1.051 274 V CA 1.592 63.906 62.300 0.024 0.000 1.048 274 V CB -2.148 29.686 31.823 0.017 0.000 0.666 274 V HN 0.289 nan 8.190 nan 0.000 0.456 275 P HA -0.068 nan 4.420 nan 0.000 0.234 275 P C 1.463 178.812 177.300 0.082 0.000 1.167 275 P CA 1.090 64.224 63.100 0.056 0.000 0.763 275 P CB -0.003 31.726 31.700 0.048 0.000 0.835 276 L N -1.185 120.104 121.223 0.110 0.000 2.509 276 L HA 0.087 4.426 4.340 -0.001 0.000 0.222 276 L C 2.235 179.234 176.870 0.215 0.000 1.123 276 L CA 0.198 55.158 54.840 0.200 0.000 0.856 276 L CB -0.528 41.704 42.059 0.288 0.000 0.985 276 L HN -0.106 nan 8.230 nan 0.000 0.456 277 L N 1.056 122.350 121.223 0.117 0.000 2.633 277 L HA -0.123 4.216 4.340 -0.001 0.000 0.235 277 L C 1.569 178.507 176.870 0.113 0.000 1.163 277 L CA 0.478 55.372 54.840 0.089 0.000 0.859 277 L CB -0.508 41.578 42.059 0.046 0.000 0.973 277 L HN 0.526 nan 8.230 nan 0.000 0.451 278 N N -1.573 117.199 118.700 0.120 0.000 2.236 278 N HA -0.031 4.709 4.740 -0.001 0.000 0.196 278 N C 0.263 175.843 175.510 0.117 0.000 1.114 278 N CA -0.063 53.055 53.050 0.113 0.000 0.859 278 N CB 0.095 38.630 38.487 0.080 0.000 0.982 278 N HN -0.079 nan 8.380 nan 0.000 0.493 279 K N 1.237 121.713 120.400 0.127 0.000 2.401 279 K HA 0.009 4.328 4.320 -0.001 0.000 0.278 279 K C -0.098 176.580 176.600 0.129 0.000 1.018 279 K CA -0.063 56.269 56.287 0.075 0.000 0.981 279 K CB 0.404 32.880 32.500 -0.040 0.000 0.933 279 K HN 0.112 nan 8.250 nan 0.000 0.477 280 N N 2.787 121.551 118.700 0.108 0.000 2.843 280 N HA -0.058 4.681 4.740 -0.001 0.000 0.284 280 N C -0.954 174.652 175.510 0.161 0.000 1.274 280 N CA 0.058 53.217 53.050 0.182 0.000 1.045 280 N CB -0.297 38.261 38.487 0.119 0.000 1.370 280 N HN 0.343 nan 8.380 nan 0.000 0.525 281 N N 0.520 119.291 118.700 0.119 0.000 2.576 281 N HA 0.269 5.008 4.740 -0.001 0.000 0.269 281 N C -2.090 173.387 175.510 -0.055 0.000 1.058 281 N CA -1.745 51.345 53.050 0.068 0.000 0.860 281 N CB 1.940 40.498 38.487 0.120 0.000 1.249 281 N HN 0.050 nan 8.380 nan 0.000 0.525 282 P HA -0.169 nan 4.420 nan 0.000 0.215 282 P C 0.939 177.965 177.300 -0.455 0.000 1.153 282 P CA 1.284 64.122 63.100 -0.437 0.000 0.853 282 P CB 0.793 32.204 31.700 -0.482 0.000 0.788 283 K N -1.045 119.086 120.400 -0.449 0.000 2.026 283 K HA -0.151 4.169 4.320 -0.001 0.000 0.208 283 K C 2.204 178.644 176.600 -0.266 0.000 1.048 283 K CA 1.335 57.422 56.287 -0.335 0.000 0.929 283 K CB -0.708 31.636 32.500 -0.260 0.000 0.713 283 K HN 0.089 nan 8.250 nan 0.000 0.439 284 F N 1.820 121.511 119.950 -0.431 0.000 2.171 284 F HA -0.148 4.378 4.527 -0.001 0.000 0.300 284 F C 1.732 177.351 175.800 -0.302 0.000 1.090 284 F CA 1.175 58.890 58.000 -0.475 0.000 1.293 284 F CB -0.077 38.623 39.000 -0.499 0.000 1.013 284 F HN -0.088 nan 8.300 nan 0.000 0.486 285 L N -0.140 120.941 121.223 -0.238 0.000 2.093 285 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 285 L C 2.843 179.529 176.870 -0.306 0.000 1.085 285 L CA 0.972 55.637 54.840 -0.291 0.000 0.755 285 L CB -1.165 40.743 42.059 -0.251 0.000 0.904 285 L HN 0.265 nan 8.230 nan 0.000 0.435 286 A N 0.544 123.227 122.820 -0.227 0.000 1.908 286 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 286 A C 2.188 179.612 177.584 -0.268 0.000 1.181 286 A CA 1.700 53.651 52.037 -0.143 0.000 0.627 286 A CB -0.643 18.377 19.000 0.032 0.000 0.818 286 A HN 0.355 nan 8.150 nan 0.000 0.445 287 I N -0.719 119.606 120.570 -0.408 0.000 2.202 287 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 287 I C 2.623 178.445 176.117 -0.493 0.000 1.091 287 I CA 1.722 62.671 61.300 -0.585 0.000 1.368 287 I CB -0.674 36.948 38.000 -0.629 0.000 1.058 287 I HN 0.271 nan 8.210 nan 0.000 0.410 288 T N 0.230 114.454 114.554 -0.550 0.000 2.684 288 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 288 T C 1.981 176.528 174.700 -0.254 0.000 1.036 288 T CA 2.276 64.115 62.100 -0.434 0.000 1.148 288 T CB -0.675 67.859 68.868 -0.557 0.000 0.863 288 T HN 0.569 nan 8.240 nan 0.000 0.436 289 T N 0.790 115.200 114.554 -0.239 0.000 2.684 289 T HA -0.216 4.133 4.350 -0.001 0.000 0.267 289 T C 1.749 176.355 174.700 -0.157 0.000 1.036 289 T CA 1.862 63.860 62.100 -0.170 0.000 1.148 289 T CB -0.763 68.007 68.868 -0.162 0.000 0.863 289 T HN 0.336 nan 8.240 nan 0.000 0.436 290 D N 0.406 120.703 120.400 -0.172 0.000 2.123 290 D HA -0.085 4.554 4.640 -0.001 0.000 0.196 290 D C 2.202 178.471 176.300 -0.050 0.000 0.992 290 D CA 1.138 55.067 54.000 -0.118 0.000 0.833 290 D CB -0.692 40.080 40.800 -0.048 0.000 0.954 290 D HN 0.528 nan 8.370 nan 0.000 0.455 291 C N -0.134 119.149 119.300 -0.027 0.000 2.398 291 C HA -0.121 4.338 4.460 -0.001 0.000 0.276 291 C C 2.809 177.777 174.990 -0.036 0.000 1.222 291 C CA 0.443 59.461 59.018 -0.000 0.000 1.746 291 C CB -1.226 26.502 27.740 -0.019 0.000 2.039 291 C HN 0.442 nan 8.230 nan 0.000 0.470 292 L N 0.280 121.468 121.223 -0.058 0.000 2.017 292 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 292 L C 2.906 179.749 176.870 -0.044 0.000 1.073 292 L CA 1.551 56.363 54.840 -0.048 0.000 0.745 292 L CB -0.949 41.076 42.059 -0.056 0.000 0.894 292 L HN 0.427 nan 8.230 nan 0.000 0.432 293 Q N 0.878 120.636 119.800 -0.070 0.000 2.045 293 Q HA -0.236 4.103 4.340 -0.001 0.000 0.206 293 Q C 2.317 178.294 176.000 -0.038 0.000 0.991 293 Q CA 2.010 57.769 55.803 -0.074 0.000 0.851 293 Q CB -0.361 28.290 28.738 -0.145 0.000 0.911 293 Q HN 0.525 nan 8.270 nan 0.000 0.418 294 L N 0.318 121.507 121.223 -0.057 0.000 2.042 294 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 294 L C 2.619 179.493 176.870 0.005 0.000 1.076 294 L CA 0.978 55.790 54.840 -0.046 0.000 0.749 294 L CB -0.430 41.578 42.059 -0.086 0.000 0.893 294 L HN 0.206 nan 8.230 nan 0.000 0.432 295 L N -0.867 120.354 121.223 -0.004 0.000 2.156 295 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 295 L C 2.734 179.613 176.870 0.015 0.000 1.095 295 L CA 0.851 55.694 54.840 0.005 0.000 0.770 295 L CB -0.579 41.479 42.059 -0.003 0.000 0.914 295 L HN 0.217 nan 8.230 nan 0.000 0.439 296 A N -0.985 121.846 122.820 0.019 0.000 1.970 296 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 296 A C 0.943 178.545 177.584 0.029 0.000 1.170 296 A CA 0.139 52.184 52.037 0.014 0.000 0.645 296 A CB -0.474 18.529 19.000 0.005 0.000 0.816 296 A HN 0.308 nan 8.150 nan 0.000 0.447 297 Y N 1.031 121.293 120.300 -0.063 0.000 2.632 297 Y HA 0.324 4.873 4.550 -0.002 0.000 0.329 297 Y C 1.395 177.262 175.900 -0.055 0.000 1.174 297 Y CA 0.579 58.639 58.100 -0.066 0.000 1.469 297 Y CB 0.120 38.533 38.460 -0.078 0.000 1.242 297 Y HN 0.536 nan 8.280 nan 0.000 0.540 298 G N 4.398 112.802 108.800 -0.659 0.000 2.166 298 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.260 298 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.260 298 G C 0.020 174.790 174.900 -0.217 0.000 0.986 298 G CA 0.309 45.111 45.100 -0.497 0.000 0.683 298 G HN 0.800 nan 8.290 nan 0.000 0.527 299 N N 0.015 118.625 118.700 -0.150 0.000 2.617 299 N HA 0.305 5.044 4.740 -0.001 0.000 0.263 299 N C 1.211 176.680 175.510 -0.069 0.000 1.074 299 N CA -0.087 52.913 53.050 -0.084 0.000 0.841 299 N CB 1.068 39.527 38.487 -0.047 0.000 1.221 299 N HN 0.182 nan 8.380 nan 0.000 0.529 300 Q N 2.359 122.119 119.800 -0.068 0.000 2.112 300 Q HA -0.196 4.143 4.340 -0.001 0.000 0.206 300 Q C 0.752 176.731 176.000 -0.034 0.000 0.987 300 Q CA 2.135 57.907 55.803 -0.052 0.000 0.858 300 Q CB 0.228 28.937 28.738 -0.047 0.000 0.905 300 Q HN 0.563 nan 8.270 nan 0.000 0.420 301 E N -0.503 119.679 120.200 -0.029 0.000 2.072 301 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 301 E C 2.007 178.598 176.600 -0.016 0.000 0.985 301 E CA 1.178 57.566 56.400 -0.019 0.000 0.801 301 E CB -0.518 29.172 29.700 -0.016 0.000 0.750 301 E HN 0.310 nan 8.360 nan 0.000 0.452 302 S N -0.069 115.620 115.700 -0.018 0.000 2.399 302 S HA -0.181 4.288 4.470 -0.001 0.000 0.231 302 S C 1.605 176.197 174.600 -0.013 0.000 1.022 302 S CA 1.271 59.464 58.200 -0.013 0.000 0.983 302 S CB -0.035 63.157 63.200 -0.013 0.000 0.803 302 S HN 0.123 nan 8.310 nan 0.000 0.480 303 K N 0.467 120.855 120.400 -0.019 0.000 2.097 303 K HA 0.079 4.398 4.320 -0.001 0.000 0.205 303 K C 1.995 178.589 176.600 -0.011 0.000 1.050 303 K CA 1.108 57.385 56.287 -0.017 0.000 0.938 303 K CB -0.224 32.262 32.500 -0.023 0.000 0.718 303 K HN 0.355 nan 8.250 nan 0.000 0.442 304 L N 0.814 122.030 121.223 -0.011 0.000 2.093 304 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 304 L C 2.284 179.152 176.870 -0.004 0.000 1.085 304 L CA 0.983 55.818 54.840 -0.007 0.000 0.755 304 L CB -0.414 41.640 42.059 -0.008 0.000 0.904 304 L HN 0.170 nan 8.230 nan 0.000 0.435 305 I N 0.140 120.708 120.570 -0.004 0.000 2.179 305 I HA -0.330 3.840 4.170 -0.001 0.000 0.242 305 I C 2.462 178.579 176.117 0.001 0.000 1.088 305 I CA 1.611 62.911 61.300 -0.000 0.000 1.357 305 I CB -0.317 37.683 38.000 0.000 0.000 1.051 305 I HN 0.185 nan 8.210 nan 0.000 0.409 306 I N 0.340 120.909 120.570 -0.001 0.000 2.264 306 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 306 I C 2.568 178.687 176.117 0.003 0.000 1.111 306 I CA 1.126 62.426 61.300 -0.000 0.000 1.382 306 I CB -0.382 37.616 38.000 -0.004 0.000 1.060 306 I HN 0.281 nan 8.210 nan 0.000 0.418 307 L N 1.560 122.784 121.223 0.002 0.000 2.017 307 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 307 L C 2.603 179.476 176.870 0.006 0.000 1.073 307 L CA 2.195 57.038 54.840 0.004 0.000 0.745 307 L CB -0.989 41.071 42.059 0.003 0.000 0.894 307 L HN 0.184 nan 8.230 nan 0.000 0.432 308 A N -0.747 122.076 122.820 0.005 0.000 2.024 308 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 308 A C 1.850 179.440 177.584 0.009 0.000 1.164 308 A CA 2.035 54.076 52.037 0.007 0.000 0.643 308 A CB -0.965 18.039 19.000 0.005 0.000 0.806 308 A HN 0.698 nan 8.150 nan 0.000 0.451 309 N N -1.200 117.506 118.700 0.010 0.000 2.268 309 N HA 0.357 5.096 4.740 -0.001 0.000 0.204 309 N C 0.708 176.228 175.510 0.016 0.000 1.124 309 N CA 0.644 53.702 53.050 0.013 0.000 0.838 309 N CB 0.426 38.921 38.487 0.013 0.000 0.994 309 N HN 0.541 nan 8.380 nan 0.000 0.489 310 G N -0.033 108.776 108.800 0.014 0.000 2.182 310 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 310 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 310 G C 0.980 175.891 174.900 0.018 0.000 1.042 310 G CA 0.102 45.212 45.100 0.017 0.000 0.775 310 G HN 0.458 nan 8.290 nan 0.000 0.501 311 G N 0.641 109.449 108.800 0.014 0.000 2.453 311 G HA2 0.036 3.995 3.960 -0.001 0.000 0.215 311 G HA3 0.036 3.995 3.960 -0.001 0.000 0.215 311 G C 0.182 175.090 174.900 0.013 0.000 1.201 311 G CA 1.675 46.782 45.100 0.011 0.000 0.784 311 G HN 0.516 nan 8.290 nan 0.000 0.545 312 P HA -0.154 nan 4.420 nan 0.000 0.214 312 P C 1.839 179.154 177.300 0.025 0.000 1.169 312 P CA 1.712 64.823 63.100 0.017 0.000 0.908 312 P CB -0.094 31.616 31.700 0.016 0.000 0.791 313 Q N -0.629 119.187 119.800 0.026 0.000 2.096 313 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 313 Q C 2.269 178.293 176.000 0.040 0.000 0.982 313 Q CA 2.091 57.913 55.803 0.031 0.000 0.850 313 Q CB -1.488 27.267 28.738 0.028 0.000 0.901 313 Q HN 0.207 nan 8.270 nan 0.000 0.422 314 A N 0.257 123.100 122.820 0.038 0.000 1.898 314 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 314 A C 2.066 179.681 177.584 0.051 0.000 1.181 314 A CA 1.168 53.233 52.037 0.047 0.000 0.620 314 A CB -0.673 18.351 19.000 0.040 0.000 0.819 314 A HN 0.336 nan 8.150 nan 0.000 0.442 315 L N -0.538 120.706 121.223 0.035 0.000 2.093 315 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 315 L C 2.385 179.285 176.870 0.050 0.000 1.085 315 L CA 0.861 55.718 54.840 0.029 0.000 0.755 315 L CB -0.430 41.634 42.059 0.008 0.000 0.904 315 L HN 0.230 nan 8.230 nan 0.000 0.435 316 V N -0.514 119.431 119.914 0.052 0.000 2.667 316 V HA -0.251 3.868 4.120 -0.001 0.000 0.252 316 V C 2.383 178.527 176.094 0.083 0.000 1.065 316 V CA 1.425 63.764 62.300 0.065 0.000 1.083 316 V CB -0.409 31.445 31.823 0.053 0.000 0.692 316 V HN 0.515 nan 8.190 nan 0.000 0.468 317 Q N -0.088 119.763 119.800 0.084 0.000 2.083 317 Q HA -0.165 4.174 4.340 -0.001 0.000 0.198 317 Q C 2.349 178.440 176.000 0.152 0.000 0.969 317 Q CA 1.523 57.385 55.803 0.098 0.000 0.838 317 Q CB 0.011 28.802 28.738 0.089 0.000 0.900 317 Q HN 0.496 nan 8.270 nan 0.000 0.436 318 I N 1.015 121.692 120.570 0.178 0.000 2.185 318 I HA -0.316 3.853 4.170 -0.001 0.000 0.246 318 I C 2.268 178.539 176.117 0.258 0.000 1.088 318 I CA 1.390 62.849 61.300 0.265 0.000 1.347 318 I CB -1.032 37.042 38.000 0.123 0.000 1.041 318 I HN 0.396 nan 8.210 nan 0.000 0.415 319 M N -0.149 119.556 119.600 0.176 0.000 2.296 319 M HA -0.108 4.371 4.480 -0.001 0.000 0.265 319 M C 2.196 178.677 176.300 0.302 0.000 1.064 319 M CA 1.342 56.770 55.300 0.213 0.000 1.109 319 M CB -1.047 31.658 32.600 0.175 0.000 1.396 319 M HN 0.270 nan 8.290 nan 0.000 0.430 320 R N -0.339 120.273 120.500 0.186 0.000 2.210 320 R HA 0.022 4.361 4.340 -0.001 0.000 0.203 320 R C 1.325 177.676 176.300 0.085 0.000 1.010 320 R CA 0.602 56.774 56.100 0.120 0.000 1.008 320 R CB 0.111 30.453 30.300 0.069 0.000 0.923 320 R HN 0.394 nan 8.270 nan 0.000 0.469 321 N N -0.758 117.993 118.700 0.085 0.000 2.510 321 N HA 0.014 4.753 4.740 -0.001 0.000 0.186 321 N C -0.210 175.215 175.510 -0.142 0.000 1.051 321 N CA 0.654 53.661 53.050 -0.072 0.000 0.877 321 N CB 0.190 38.563 38.487 -0.190 0.000 1.183 321 N HN 0.023 nan 8.380 nan 0.000 0.443 322 Y N 0.242 120.606 120.300 0.108 0.000 2.335 322 Y HA 0.308 4.857 4.550 -0.002 0.000 0.323 322 Y C 1.392 177.382 175.900 0.149 0.000 1.224 322 Y CA -0.194 57.977 58.100 0.119 0.000 1.241 322 Y CB 1.647 40.179 38.460 0.120 0.000 1.235 322 Y HN -0.134 nan 8.280 nan 0.000 0.492 323 S N 0.236 116.124 115.700 0.312 0.000 2.520 323 S HA -0.017 4.452 4.470 -0.001 0.000 0.219 323 S C -0.361 174.385 174.600 0.244 0.000 1.028 323 S CA -0.364 57.979 58.200 0.239 0.000 0.921 323 S CB -0.130 63.171 63.200 0.167 0.000 0.844 323 S HN 0.551 nan 8.310 nan 0.000 0.495 324 Y N 4.479 124.874 120.300 0.159 0.000 2.852 324 Y HA -0.061 4.489 4.550 -0.001 0.000 0.343 324 Y C 1.660 177.603 175.900 0.072 0.000 1.280 324 Y CA -0.318 57.841 58.100 0.099 0.000 1.604 324 Y CB 0.255 38.764 38.460 0.080 0.000 1.216 324 Y HN 0.116 nan 8.280 nan 0.000 0.541 325 E N 4.913 124.940 120.200 -0.289 0.000 2.106 325 E HA -0.196 4.153 4.350 -0.001 0.000 0.192 325 E C 1.222 177.680 176.600 -0.236 0.000 0.984 325 E CA 1.446 57.718 56.400 -0.214 0.000 0.806 325 E CB 0.225 29.813 29.700 -0.186 0.000 0.750 325 E HN 0.824 nan 8.360 nan 0.000 0.458 326 K N 0.239 120.307 120.400 -0.554 0.000 2.057 326 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 326 K C 2.272 178.903 176.600 0.052 0.000 1.050 326 K CA 0.940 57.104 56.287 -0.205 0.000 0.935 326 K CB -0.205 32.122 32.500 -0.287 0.000 0.715 326 K HN 0.068 nan 8.250 nan 0.000 0.439 327 L N 1.631 122.908 121.223 0.090 0.000 2.056 327 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 327 L C 1.847 178.740 176.870 0.038 0.000 1.078 327 L CA 1.464 56.388 54.840 0.141 0.000 0.749 327 L CB -0.389 41.795 42.059 0.209 0.000 0.901 327 L HN 0.112 nan 8.230 nan 0.000 0.433 328 L N -1.864 119.379 121.223 0.033 0.000 2.042 328 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 328 L C 2.409 179.274 176.870 -0.008 0.000 1.076 328 L CA 1.809 56.622 54.840 -0.045 0.000 0.749 328 L CB -0.756 41.221 42.059 -0.138 0.000 0.893 328 L HN 0.555 nan 8.230 nan 0.000 0.432 329 W N 1.218 122.444 121.300 -0.124 0.000 2.408 329 W HA -0.212 4.447 4.660 -0.002 0.000 0.311 329 W C 2.833 179.313 176.519 -0.066 0.000 1.190 329 W CA 2.141 59.431 57.345 -0.092 0.000 1.321 329 W CB -0.606 28.798 29.460 -0.093 0.000 1.143 329 W HN 0.227 nan 8.180 nan 0.000 0.501 330 T N -2.339 112.054 114.554 -0.268 0.000 2.759 330 T HA -0.227 4.122 4.350 -0.001 0.000 0.269 330 T C 1.673 176.169 174.700 -0.339 0.000 1.042 330 T CA 2.213 64.017 62.100 -0.493 0.000 1.140 330 T CB -1.206 67.517 68.868 -0.241 0.000 0.864 330 T HN 0.137 nan 8.240 nan 0.000 0.455 331 T N 2.521 116.960 114.554 -0.193 0.000 2.777 331 T HA -0.100 4.249 4.350 -0.001 0.000 0.266 331 T C 2.504 177.127 174.700 -0.129 0.000 1.040 331 T CA 1.795 63.815 62.100 -0.134 0.000 1.141 331 T CB -0.663 68.160 68.868 -0.075 0.000 0.868 331 T HN 0.768 nan 8.240 nan 0.000 0.444 332 S N 1.933 117.553 115.700 -0.133 0.000 2.399 332 S HA -0.105 4.364 4.470 -0.001 0.000 0.231 332 S C 2.039 176.570 174.600 -0.115 0.000 1.022 332 S CA 0.692 58.842 58.200 -0.085 0.000 0.983 332 S CB -0.388 62.791 63.200 -0.034 0.000 0.803 332 S HN 0.434 nan 8.310 nan 0.000 0.480 333 R N 0.622 120.967 120.500 -0.259 0.000 2.092 333 R HA 0.034 4.373 4.340 -0.001 0.000 0.231 333 R C 2.342 178.542 176.300 -0.166 0.000 1.119 333 R CA 1.373 57.313 56.100 -0.267 0.000 0.970 333 R CB -0.791 29.207 30.300 -0.503 0.000 0.864 333 R HN 0.402 nan 8.270 nan 0.000 0.440 334 V N 1.790 121.608 119.914 -0.160 0.000 2.295 334 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 334 V C 2.414 178.477 176.094 -0.051 0.000 1.049 334 V CA 1.634 63.876 62.300 -0.096 0.000 1.024 334 V CB -0.518 31.248 31.823 -0.094 0.000 0.648 334 V HN 0.258 nan 8.190 nan 0.000 0.447 335 L N -0.052 121.146 121.223 -0.042 0.000 2.079 335 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 335 L C 2.618 179.493 176.870 0.009 0.000 1.081 335 L CA 2.037 56.873 54.840 -0.007 0.000 0.752 335 L CB -0.645 41.418 42.059 0.007 0.000 0.896 335 L HN 0.349 nan 8.230 nan 0.000 0.433 336 K N -0.031 120.373 120.400 0.007 0.000 2.032 336 K HA -0.204 4.115 4.320 -0.001 0.000 0.209 336 K C 2.063 178.671 176.600 0.013 0.000 1.048 336 K CA 1.605 57.911 56.287 0.032 0.000 0.927 336 K CB -0.154 32.363 32.500 0.030 0.000 0.712 336 K HN 0.122 nan 8.250 nan 0.000 0.441 337 V N 1.136 121.051 119.914 0.002 0.000 2.667 337 V HA -0.125 3.994 4.120 -0.001 0.000 0.252 337 V C 1.881 177.976 176.094 0.002 0.000 1.065 337 V CA 1.244 63.556 62.300 0.020 0.000 1.083 337 V CB -0.112 31.744 31.823 0.055 0.000 0.692 337 V HN 0.332 nan 8.190 nan 0.000 0.468 338 L N 0.164 121.388 121.223 0.000 0.000 2.162 338 L HA -0.036 4.303 4.340 -0.001 0.000 0.205 338 L C 2.615 179.488 176.870 0.005 0.000 1.086 338 L CA 1.381 56.220 54.840 -0.001 0.000 0.778 338 L CB -0.461 41.598 42.059 -0.001 0.000 0.928 338 L HN 0.512 nan 8.230 nan 0.000 0.446 339 S N -0.270 115.439 115.700 0.016 0.000 2.500 339 S HA -0.123 4.346 4.470 -0.001 0.000 0.239 339 S C 1.738 176.350 174.600 0.021 0.000 0.989 339 S CA 1.037 59.252 58.200 0.026 0.000 0.951 339 S CB -0.879 62.349 63.200 0.047 0.000 0.759 339 S HN 0.385 nan 8.310 nan 0.000 0.523 340 V N -1.456 118.462 119.914 0.007 0.000 3.129 340 V HA 0.212 4.331 4.120 -0.001 0.000 0.259 340 V C 1.361 177.450 176.094 -0.009 0.000 1.116 340 V CA -0.149 62.149 62.300 -0.003 0.000 1.127 340 V CB -1.492 30.317 31.823 -0.023 0.000 0.742 340 V HN 0.642 nan 8.190 nan 0.000 0.474 341 C N 2.801 122.095 119.300 -0.010 0.000 2.585 341 C HA 0.458 4.917 4.460 -0.001 0.000 0.406 341 C C -0.265 174.723 174.990 -0.003 0.000 1.312 341 C CA -0.876 58.136 59.018 -0.011 0.000 1.924 341 C CB 0.922 28.655 27.740 -0.013 0.000 2.578 341 C HN 0.414 nan 8.230 nan 0.000 0.580 342 P HA -0.106 nan 4.420 nan 0.000 0.218 342 P C 1.456 178.757 177.300 0.002 0.000 1.149 342 P CA 1.998 65.098 63.100 0.001 0.000 0.817 342 P CB 0.032 31.732 31.700 -0.001 0.000 0.785 343 S N -2.458 113.242 115.700 0.000 0.000 2.470 343 S HA 0.059 4.528 4.470 -0.001 0.000 0.222 343 S C 1.863 176.466 174.600 0.004 0.000 1.024 343 S CA 0.174 58.375 58.200 0.002 0.000 0.931 343 S CB -0.973 62.227 63.200 -0.000 0.000 0.791 343 S HN 0.012 nan 8.310 nan 0.000 0.513 344 N N 2.069 120.771 118.700 0.003 0.000 2.216 344 N HA 0.040 4.779 4.740 -0.001 0.000 0.183 344 N C 1.541 177.057 175.510 0.010 0.000 1.017 344 N CA 0.885 53.938 53.050 0.005 0.000 0.861 344 N CB -0.166 38.322 38.487 0.003 0.000 0.986 344 N HN 0.514 nan 8.380 nan 0.000 0.428 345 K N 0.713 121.120 120.400 0.011 0.000 2.015 345 K HA -0.168 4.151 4.320 -0.001 0.000 0.216 345 K C -0.698 175.911 176.600 0.016 0.000 1.052 345 K CA 1.669 57.965 56.287 0.016 0.000 0.937 345 K CB -1.126 31.384 32.500 0.017 0.000 0.719 345 K HN 0.186 nan 8.250 nan 0.000 0.446 346 P HA -0.194 nan 4.420 nan 0.000 0.215 346 P C 1.130 178.438 177.300 0.013 0.000 1.157 346 P CA 1.875 64.982 63.100 0.012 0.000 0.868 346 P CB -0.054 31.652 31.700 0.009 0.000 0.788 347 A N -0.702 122.126 122.820 0.012 0.000 1.940 347 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 347 A C 2.216 179.810 177.584 0.017 0.000 1.176 347 A CA 1.623 53.667 52.037 0.013 0.000 0.631 347 A CB -1.635 17.372 19.000 0.012 0.000 0.814 347 A HN 0.136 nan 8.150 nan 0.000 0.446 348 I N -0.592 119.989 120.570 0.018 0.000 2.286 348 I HA -0.167 4.002 4.170 -0.001 0.000 0.245 348 I C 2.269 178.401 176.117 0.025 0.000 1.104 348 I CA 0.962 62.276 61.300 0.023 0.000 1.397 348 I CB -0.418 37.597 38.000 0.025 0.000 1.072 348 I HN 0.138 nan 8.210 nan 0.000 0.417 349 V N 0.924 120.851 119.914 0.022 0.000 2.358 349 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 349 V C 2.322 178.427 176.094 0.018 0.000 1.047 349 V CA 1.789 64.102 62.300 0.021 0.000 1.035 349 V CB -0.713 31.121 31.823 0.018 0.000 0.658 349 V HN 0.419 nan 8.190 nan 0.000 0.452 350 E N 0.535 120.745 120.200 0.016 0.000 2.153 350 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 350 E C 2.116 178.725 176.600 0.016 0.000 0.988 350 E CA 1.252 57.661 56.400 0.014 0.000 0.811 350 E CB -0.267 29.441 29.700 0.012 0.000 0.746 350 E HN 0.604 nan 8.360 nan 0.000 0.466 351 A N 0.210 123.042 122.820 0.020 0.000 2.208 351 A HA 0.239 4.558 4.320 -0.001 0.000 0.209 351 A C 1.585 179.184 177.584 0.026 0.000 1.161 351 A CA 0.812 52.863 52.037 0.023 0.000 0.782 351 A CB -0.064 18.951 19.000 0.025 0.000 0.816 351 A HN 0.315 nan 8.150 nan 0.000 0.477 352 G N -2.106 106.709 108.800 0.025 0.000 2.141 352 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.195 352 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.195 352 G C 1.088 176.009 174.900 0.034 0.000 1.012 352 G CA 0.464 45.580 45.100 0.026 0.000 0.696 352 G HN 1.122 nan 8.290 nan 0.000 0.508 353 G N 0.306 109.128 108.800 0.036 0.000 2.446 353 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.217 353 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.217 353 G C 1.948 176.875 174.900 0.046 0.000 1.168 353 G CA 1.781 46.907 45.100 0.044 0.000 0.771 353 G HN 0.411 nan 8.290 nan 0.000 0.551 354 M N 0.364 119.985 119.600 0.036 0.000 2.073 354 M HA -0.157 4.322 4.480 -0.001 0.000 0.258 354 M C 2.643 178.962 176.300 0.032 0.000 1.070 354 M CA 1.582 56.902 55.300 0.033 0.000 1.103 354 M CB -1.366 31.248 32.600 0.023 0.000 1.321 354 M HN 0.227 nan 8.290 nan 0.000 0.405 355 Q N -0.078 119.738 119.800 0.026 0.000 2.123 355 Q HA 0.074 4.413 4.340 -0.001 0.000 0.199 355 Q C 2.249 178.264 176.000 0.025 0.000 0.966 355 Q CA 1.832 57.645 55.803 0.018 0.000 0.845 355 Q CB -0.732 28.013 28.738 0.011 0.000 0.907 355 Q HN 0.609 nan 8.270 nan 0.000 0.439 356 A N 0.164 123.012 122.820 0.047 0.000 1.969 356 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 356 A C 1.928 179.597 177.584 0.141 0.000 1.169 356 A CA 1.011 53.096 52.037 0.079 0.000 0.635 356 A CB -0.463 18.594 19.000 0.095 0.000 0.810 356 A HN 0.333 nan 8.150 nan 0.000 0.445 357 L N -1.162 120.133 121.223 0.120 0.000 2.209 357 L HA 0.053 4.393 4.340 -0.001 0.000 0.207 357 L C 2.699 179.635 176.870 0.111 0.000 1.094 357 L CA 0.671 55.600 54.840 0.148 0.000 0.790 357 L CB -0.522 41.598 42.059 0.102 0.000 0.932 357 L HN 0.443 nan 8.230 nan 0.000 0.447 358 G N 0.282 109.116 108.800 0.056 0.000 2.432 358 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.219 358 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.219 358 G C 1.642 176.539 174.900 -0.005 0.000 1.135 358 G CA 0.403 45.518 45.100 0.025 0.000 0.767 358 G HN 0.294 nan 8.290 nan 0.000 0.550 359 K N -0.378 119.993 120.400 -0.049 0.000 2.283 359 K HA -0.012 4.307 4.320 -0.001 0.000 0.202 359 K C 1.564 178.028 176.600 -0.226 0.000 1.048 359 K CA 0.712 56.903 56.287 -0.161 0.000 0.948 359 K CB -0.035 32.313 32.500 -0.252 0.000 0.742 359 K HN 0.331 nan 8.250 nan 0.000 0.458 360 H N -0.041 119.044 119.070 0.025 0.000 2.529 360 H HA 0.142 4.697 4.556 -0.002 0.000 0.277 360 H C 1.430 176.770 175.328 0.021 0.000 1.004 360 H CA 0.217 56.283 56.048 0.030 0.000 1.167 360 H CB 0.396 30.185 29.762 0.045 0.000 1.445 360 H HN 0.112 nan 8.280 nan 0.000 0.554 361 L N 0.667 121.941 121.223 0.085 0.000 2.376 361 L HA -0.065 4.274 4.340 -0.001 0.000 0.219 361 L C 1.877 178.765 176.870 0.029 0.000 1.133 361 L CA 1.386 56.254 54.840 0.046 0.000 0.816 361 L CB -0.126 41.944 42.059 0.017 0.000 0.933 361 L HN 0.239 nan 8.230 nan 0.000 0.449 362 T N -4.282 110.287 114.554 0.026 0.000 3.105 362 T HA 0.087 4.437 4.350 -0.001 0.000 0.253 362 T C 0.969 175.685 174.700 0.027 0.000 1.047 362 T CA -0.004 62.104 62.100 0.013 0.000 0.944 362 T CB -0.160 68.706 68.868 -0.004 0.000 1.016 362 T HN 0.257 nan 8.240 nan 0.000 0.544 363 S N 1.648 117.384 115.700 0.059 0.000 2.580 363 S HA 0.148 4.617 4.470 -0.001 0.000 0.266 363 S C 0.709 175.329 174.600 0.033 0.000 1.354 363 S CA -0.394 57.848 58.200 0.070 0.000 1.008 363 S CB 0.163 63.437 63.200 0.124 0.000 0.898 363 S HN 0.442 nan 8.310 nan 0.000 0.555 364 N N 0.073 118.786 118.700 0.022 0.000 2.398 364 N HA 0.078 4.817 4.740 -0.001 0.000 0.188 364 N C -0.237 175.263 175.510 -0.016 0.000 1.122 364 N CA 0.129 53.179 53.050 0.000 0.000 0.866 364 N CB 0.293 38.779 38.487 -0.003 0.000 0.970 364 N HN 0.497 nan 8.380 nan 0.000 0.462 365 S N 0.926 116.618 115.700 -0.013 0.000 2.474 365 S HA 0.294 4.763 4.470 -0.001 0.000 0.320 365 S C -1.826 172.759 174.600 -0.025 0.000 1.067 365 S CA -2.043 56.131 58.200 -0.043 0.000 1.127 365 S CB 0.794 63.955 63.200 -0.065 0.000 0.971 365 S HN -0.073 nan 8.310 nan 0.000 0.472 366 P HA -0.194 nan 4.420 nan 0.000 0.216 366 P C 1.360 178.665 177.300 0.009 0.000 1.153 366 P CA 1.226 64.317 63.100 -0.016 0.000 0.858 366 P CB 0.017 31.702 31.700 -0.026 0.000 0.789 367 R N -0.791 119.701 120.500 -0.013 0.000 2.152 367 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 367 R C 2.000 178.428 176.300 0.213 0.000 1.117 367 R CA 1.140 57.277 56.100 0.062 0.000 0.981 367 R CB -1.528 28.693 30.300 -0.131 0.000 0.870 367 R HN 0.154 nan 8.270 nan 0.000 0.451 368 L N 1.061 122.373 121.223 0.147 0.000 2.044 368 L HA -0.006 4.334 4.340 -0.001 0.000 0.205 368 L C 2.173 179.117 176.870 0.125 0.000 1.075 368 L CA 1.251 56.204 54.840 0.188 0.000 0.747 368 L CB -0.258 41.864 42.059 0.105 0.000 0.903 368 L HN 0.038 nan 8.230 nan 0.000 0.435 369 V N -0.244 119.716 119.914 0.076 0.000 2.332 369 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 369 V C 2.605 178.701 176.094 0.002 0.000 1.055 369 V CA 1.891 64.216 62.300 0.042 0.000 1.038 369 V CB -0.640 31.190 31.823 0.012 0.000 0.651 369 V HN 0.565 nan 8.190 nan 0.000 0.450 370 Q N 0.316 120.119 119.800 0.004 0.000 2.123 370 Q HA -0.105 4.234 4.340 -0.001 0.000 0.199 370 Q C 2.024 178.017 176.000 -0.012 0.000 0.966 370 Q CA 1.547 57.289 55.803 -0.103 0.000 0.845 370 Q CB -0.387 28.334 28.738 -0.030 0.000 0.907 370 Q HN 0.593 nan 8.270 nan 0.000 0.439 371 N N -0.780 118.045 118.700 0.209 0.000 2.188 371 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 371 N C 1.580 177.208 175.510 0.197 0.000 1.018 371 N CA 1.321 54.551 53.050 0.300 0.000 0.858 371 N CB -0.305 38.311 38.487 0.214 0.000 0.989 371 N HN 0.321 nan 8.380 nan 0.000 0.426 372 C N 0.692 120.061 119.300 0.115 0.000 2.446 372 C HA 0.062 4.521 4.460 -0.001 0.000 0.277 372 C C 2.867 177.895 174.990 0.063 0.000 1.275 372 C CA 0.019 59.092 59.018 0.090 0.000 1.727 372 C CB -1.106 26.689 27.740 0.092 0.000 2.010 372 C HN 0.409 nan 8.230 nan 0.000 0.486 373 L N -0.983 120.231 121.223 -0.015 0.000 2.046 373 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 373 L C 2.541 179.391 176.870 -0.033 0.000 1.077 373 L CA 1.799 56.584 54.840 -0.091 0.000 0.747 373 L CB -0.451 41.463 42.059 -0.242 0.000 0.896 373 L HN 0.547 nan 8.230 nan 0.000 0.432 374 W N -0.088 121.233 121.300 0.035 0.000 2.318 374 W HA -0.254 4.404 4.660 -0.004 0.000 0.313 374 W C 2.649 179.183 176.519 0.025 0.000 1.221 374 W CA 1.336 58.699 57.345 0.030 0.000 1.266 374 W CB -0.580 28.898 29.460 0.029 0.000 1.150 374 W HN 0.077 nan 8.180 nan 0.000 0.496 375 T N 0.816 115.528 114.554 0.264 0.000 2.770 375 T HA -0.151 4.198 4.350 -0.001 0.000 0.263 375 T C 1.843 176.610 174.700 0.112 0.000 1.039 375 T CA 1.204 63.398 62.100 0.157 0.000 1.142 375 T CB -0.662 68.275 68.868 0.114 0.000 0.868 375 T HN 0.055 nan 8.240 nan 0.000 0.435 376 L N 0.549 121.826 121.223 0.091 0.000 2.042 376 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 376 L C 2.937 179.846 176.870 0.064 0.000 1.076 376 L CA 1.406 56.283 54.840 0.062 0.000 0.749 376 L CB -0.466 41.618 42.059 0.041 0.000 0.893 376 L HN 0.186 nan 8.230 nan 0.000 0.432 377 R N 0.087 120.636 120.500 0.081 0.000 2.092 377 R HA -0.150 4.189 4.340 -0.001 0.000 0.231 377 R C 2.049 178.409 176.300 0.099 0.000 1.119 377 R CA 1.460 57.613 56.100 0.088 0.000 0.970 377 R CB -0.026 30.342 30.300 0.113 0.000 0.864 377 R HN 0.376 nan 8.270 nan 0.000 0.440 378 N N 0.529 119.300 118.700 0.118 0.000 2.188 378 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 378 N C 1.590 177.139 175.510 0.064 0.000 1.018 378 N CA 1.067 54.173 53.050 0.094 0.000 0.858 378 N CB -0.041 38.503 38.487 0.096 0.000 0.989 378 N HN 0.268 nan 8.380 nan 0.000 0.426 379 L N 0.489 121.748 121.223 0.060 0.000 2.446 379 L HA 0.066 4.405 4.340 -0.001 0.000 0.219 379 L C 2.006 178.898 176.870 0.037 0.000 1.116 379 L CA 0.270 55.136 54.840 0.044 0.000 0.844 379 L CB -0.310 41.774 42.059 0.042 0.000 0.970 379 L HN 0.138 nan 8.230 nan 0.000 0.457 380 S N -0.196 115.528 115.700 0.042 0.000 2.440 380 S HA -0.206 4.263 4.470 -0.001 0.000 0.238 380 S C 1.488 176.104 174.600 0.026 0.000 1.010 380 S CA 1.280 59.500 58.200 0.033 0.000 0.972 380 S CB -0.494 62.728 63.200 0.038 0.000 0.774 380 S HN 0.623 nan 8.310 nan 0.000 0.501 381 D N 0.779 121.197 120.400 0.030 0.000 2.349 381 D HA 0.030 4.669 4.640 -0.001 0.000 0.224 381 D C 1.289 177.598 176.300 0.015 0.000 1.029 381 D CA 0.241 54.255 54.000 0.024 0.000 0.879 381 D CB 0.027 40.845 40.800 0.030 0.000 0.906 381 D HN 0.491 nan 8.370 nan 0.000 0.528 382 V N 0.058 119.981 119.914 0.015 0.000 3.604 382 V HA 0.274 4.393 4.120 -0.001 0.000 0.277 382 V C 1.894 177.992 176.094 0.008 0.000 1.399 382 V CA 0.528 62.835 62.300 0.011 0.000 1.034 382 V CB 0.773 32.604 31.823 0.014 0.000 0.824 382 V HN 0.290 nan 8.190 nan 0.000 0.439 383 A N 0.458 123.282 122.820 0.008 0.000 2.379 383 A HA 0.105 4.424 4.320 -0.001 0.000 0.236 383 A C 2.020 179.601 177.584 -0.005 0.000 1.272 383 A CA 0.896 52.936 52.037 0.005 0.000 0.886 383 A CB -0.617 18.388 19.000 0.010 0.000 0.962 383 A HN 0.527 nan 8.150 nan 0.000 0.504 384 T N -2.794 111.754 114.554 -0.011 0.000 3.098 384 T HA -0.002 4.347 4.350 -0.001 0.000 0.266 384 T C 0.994 175.679 174.700 -0.024 0.000 1.145 384 T CA 1.082 63.167 62.100 -0.025 0.000 1.092 384 T CB -0.143 68.703 68.868 -0.036 0.000 0.908 384 T HN 0.179 nan 8.240 nan 0.000 0.526 385 K N 0.518 120.909 120.400 -0.014 0.000 2.676 385 K HA 0.356 4.675 4.320 -0.001 0.000 0.205 385 K C 0.216 176.812 176.600 -0.007 0.000 1.084 385 K CA -0.231 56.049 56.287 -0.011 0.000 1.057 385 K CB 0.900 33.395 32.500 -0.008 0.000 0.791 385 K HN 0.384 nan 8.250 nan 0.000 0.484 386 Q N 1.443 121.239 119.800 -0.006 0.000 2.318 386 Q HA 0.155 4.494 4.340 -0.001 0.000 0.222 386 Q C -0.826 175.172 176.000 -0.003 0.000 1.003 386 Q CA 0.296 56.098 55.803 -0.002 0.000 0.936 386 Q CB 0.817 29.555 28.738 0.001 0.000 1.204 386 Q HN 0.099 nan 8.270 nan 0.000 0.524 387 E N -0.208 119.991 120.200 -0.000 0.000 2.195 387 E HA 0.552 4.901 4.350 -0.001 0.000 0.271 387 E C -0.389 176.211 176.600 -0.001 0.000 0.923 387 E CA -0.398 56.001 56.400 -0.001 0.000 0.790 387 E CB 1.362 31.062 29.700 0.001 0.000 1.155 387 E HN 0.816 nan 8.360 nan 0.000 0.402 388 G N 2.530 111.329 108.800 -0.003 0.000 2.386 388 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.295 388 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.295 388 G C 0.084 174.982 174.900 -0.003 0.000 0.979 388 G CA 0.134 45.233 45.100 -0.003 0.000 1.193 388 G HN 0.499 nan 8.290 nan 0.000 0.508 389 L N -0.500 120.720 121.223 -0.005 0.000 2.984 389 L HA 0.251 4.590 4.340 -0.001 0.000 0.246 389 L C 1.779 178.645 176.870 -0.007 0.000 1.268 389 L CA -0.342 54.495 54.840 -0.004 0.000 1.054 389 L CB 0.294 42.351 42.059 -0.004 0.000 1.393 389 L HN 0.250 nan 8.230 nan 0.000 0.532 390 E N 0.244 120.440 120.200 -0.007 0.000 2.028 390 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 390 E C 2.309 178.905 176.600 -0.008 0.000 0.988 390 E CA 1.649 58.044 56.400 -0.007 0.000 0.799 390 E CB -0.080 29.616 29.700 -0.006 0.000 0.755 390 E HN 0.449 nan 8.360 nan 0.000 0.447 391 S N 0.189 115.884 115.700 -0.008 0.000 2.382 391 S HA -0.145 4.324 4.470 -0.001 0.000 0.228 391 S C 2.181 176.776 174.600 -0.010 0.000 1.027 391 S CA 1.183 59.377 58.200 -0.010 0.000 0.991 391 S CB -0.696 62.496 63.200 -0.014 0.000 0.823 391 S HN 0.072 nan 8.310 nan 0.000 0.469 392 V N 2.415 122.325 119.914 -0.008 0.000 2.270 392 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 392 V C 2.604 178.695 176.094 -0.005 0.000 1.043 392 V CA 1.851 64.148 62.300 -0.005 0.000 1.014 392 V CB -0.947 30.875 31.823 -0.000 0.000 0.645 392 V HN 0.444 nan 8.190 nan 0.000 0.447 393 L N 0.025 121.245 121.223 -0.006 0.000 2.079 393 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 393 L C 2.604 179.471 176.870 -0.005 0.000 1.081 393 L CA 2.010 56.846 54.840 -0.006 0.000 0.752 393 L CB -0.688 41.366 42.059 -0.009 0.000 0.896 393 L HN 0.340 nan 8.230 nan 0.000 0.433 394 K N 1.118 121.514 120.400 -0.006 0.000 2.103 394 K HA -0.204 4.115 4.320 -0.001 0.000 0.207 394 K C 2.029 178.625 176.600 -0.006 0.000 1.048 394 K CA 1.768 58.052 56.287 -0.005 0.000 0.930 394 K CB -0.109 32.388 32.500 -0.006 0.000 0.716 394 K HN 0.524 nan 8.250 nan 0.000 0.444 395 I N -1.938 118.628 120.570 -0.008 0.000 3.427 395 I HA -0.046 4.124 4.170 -0.001 0.000 0.288 395 I C 1.581 177.691 176.117 -0.011 0.000 1.249 395 I CA 0.385 61.679 61.300 -0.010 0.000 1.421 395 I CB -0.067 37.927 38.000 -0.010 0.000 1.086 395 I HN 0.042 nan 8.210 nan 0.000 0.448 396 L N 0.882 122.100 121.223 -0.010 0.000 2.093 396 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 396 L C 2.645 179.510 176.870 -0.008 0.000 1.085 396 L CA 0.850 55.683 54.840 -0.011 0.000 0.755 396 L CB -0.344 41.710 42.059 -0.007 0.000 0.904 396 L HN 0.154 nan 8.230 nan 0.000 0.435 397 V N -0.257 119.655 119.914 -0.003 0.000 2.453 397 V HA -0.196 3.923 4.120 -0.001 0.000 0.247 397 V C 2.099 178.193 176.094 0.001 0.000 1.048 397 V CA 1.377 63.678 62.300 0.003 0.000 1.049 397 V CB -0.649 31.178 31.823 0.007 0.000 0.672 397 V HN 0.469 nan 8.190 nan 0.000 0.457 398 N N 0.350 119.047 118.700 -0.005 0.000 2.223 398 N HA -0.176 4.563 4.740 -0.001 0.000 0.185 398 N C 1.842 177.343 175.510 -0.014 0.000 1.016 398 N CA 1.184 54.228 53.050 -0.009 0.000 0.863 398 N CB -0.247 38.233 38.487 -0.011 0.000 0.983 398 N HN 0.591 nan 8.380 nan 0.000 0.429 399 Q N -0.060 119.730 119.800 -0.017 0.000 2.451 399 Q HA 0.164 4.503 4.340 -0.001 0.000 0.206 399 Q C 1.494 177.481 176.000 -0.022 0.000 0.947 399 Q CA 0.065 55.853 55.803 -0.025 0.000 0.937 399 Q CB 0.194 28.911 28.738 -0.035 0.000 1.025 399 Q HN 0.355 nan 8.270 nan 0.000 0.511 400 L N 0.164 121.380 121.223 -0.010 0.000 2.552 400 L HA -0.062 4.277 4.340 -0.001 0.000 0.227 400 L C 2.040 178.912 176.870 0.003 0.000 1.146 400 L CA 0.785 55.625 54.840 0.000 0.000 0.858 400 L CB -0.084 41.985 42.059 0.015 0.000 0.969 400 L HN 0.254 nan 8.230 nan 0.000 0.451 401 S N -2.274 113.420 115.700 -0.010 0.000 2.514 401 S HA 0.090 4.559 4.470 -0.001 0.000 0.223 401 S C 0.796 175.383 174.600 -0.023 0.000 1.046 401 S CA -0.364 57.824 58.200 -0.020 0.000 0.914 401 S CB -0.134 63.045 63.200 -0.034 0.000 0.807 401 S HN -0.018 nan 8.310 nan 0.000 0.497 402 V N 4.875 124.775 119.914 -0.023 0.000 2.752 402 V HA -0.021 4.098 4.120 -0.001 0.000 0.306 402 V C 1.436 177.517 176.094 -0.023 0.000 1.099 402 V CA 0.812 63.096 62.300 -0.025 0.000 1.240 402 V CB 0.213 32.018 31.823 -0.031 0.000 0.887 402 V HN 0.615 nan 8.190 nan 0.000 0.499 403 D N 2.034 122.421 120.400 -0.021 0.000 2.234 403 D HA -0.094 4.545 4.640 -0.001 0.000 0.205 403 D C 0.827 177.118 176.300 -0.016 0.000 0.962 403 D CA 0.102 54.093 54.000 -0.016 0.000 0.855 403 D CB -0.347 40.445 40.800 -0.014 0.000 0.951 403 D HN 0.608 nan 8.370 nan 0.000 0.500 404 D N 0.830 121.217 120.400 -0.022 0.000 2.426 404 D HA -0.055 4.584 4.640 -0.001 0.000 0.261 404 D C 1.420 177.703 176.300 -0.029 0.000 1.245 404 D CA -0.068 53.918 54.000 -0.024 0.000 0.917 404 D CB 1.308 42.088 40.800 -0.034 0.000 1.123 404 D HN -0.180 nan 8.370 nan 0.000 0.508 405 V N 4.825 124.730 119.914 -0.015 0.000 2.287 405 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 405 V C 2.008 178.084 176.094 -0.030 0.000 1.053 405 V CA 1.767 64.060 62.300 -0.011 0.000 1.027 405 V CB -0.592 31.237 31.823 0.010 0.000 0.646 405 V HN 0.553 nan 8.190 nan 0.000 0.447 406 N N 0.106 118.783 118.700 -0.037 0.000 2.166 406 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 406 N C 1.655 177.027 175.510 -0.229 0.000 1.019 406 N CA 1.297 54.285 53.050 -0.104 0.000 0.856 406 N CB -0.642 37.806 38.487 -0.065 0.000 0.993 406 N HN 0.361 nan 8.380 nan 0.000 0.426 407 V N 0.936 120.745 119.914 -0.176 0.000 2.237 407 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 407 V C 2.293 178.311 176.094 -0.127 0.000 1.046 407 V CA 1.172 63.367 62.300 -0.175 0.000 1.007 407 V CB -0.706 31.050 31.823 -0.113 0.000 0.638 407 V HN 0.230 nan 8.190 nan 0.000 0.445 408 L N 0.233 121.409 121.223 -0.078 0.000 2.081 408 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 408 L C 2.303 179.145 176.870 -0.046 0.000 1.080 408 L CA 2.600 57.412 54.840 -0.047 0.000 0.754 408 L CB -1.010 41.035 42.059 -0.025 0.000 0.893 408 L HN 0.407 nan 8.230 nan 0.000 0.433 409 T N -2.057 112.461 114.554 -0.060 0.000 2.978 409 T HA -0.104 4.245 4.350 -0.001 0.000 0.262 409 T C 1.917 176.585 174.700 -0.053 0.000 1.063 409 T CA 1.251 63.330 62.100 -0.035 0.000 1.140 409 T CB -0.510 68.354 68.868 -0.007 0.000 0.886 409 T HN 0.446 nan 8.240 nan 0.000 0.470 410 C N 1.673 120.889 119.300 -0.140 0.000 2.486 410 C HA 0.277 4.736 4.460 -0.001 0.000 0.279 410 C C 3.216 178.159 174.990 -0.079 0.000 1.302 410 C CA 0.206 59.135 59.018 -0.149 0.000 1.720 410 C CB -1.266 26.263 27.740 -0.350 0.000 2.030 410 C HN 0.636 nan 8.230 nan 0.000 0.490 411 A N -0.192 122.579 122.820 -0.081 0.000 1.898 411 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 411 A C 2.261 179.835 177.584 -0.016 0.000 1.181 411 A CA 2.441 54.451 52.037 -0.044 0.000 0.620 411 A CB -1.175 17.798 19.000 -0.045 0.000 0.819 411 A HN 0.495 nan 8.150 nan 0.000 0.442 412 T N -1.058 113.488 114.554 -0.013 0.000 2.867 412 T HA 0.026 4.375 4.350 -0.001 0.000 0.268 412 T C 1.733 176.444 174.700 0.017 0.000 1.057 412 T CA 1.912 64.015 62.100 0.005 0.000 1.136 412 T CB -0.439 68.433 68.868 0.006 0.000 0.874 412 T HN 0.481 nan 8.240 nan 0.000 0.466 413 G N -0.411 108.400 108.800 0.018 0.000 2.404 413 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.213 413 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.213 413 G C 1.688 176.614 174.900 0.043 0.000 1.189 413 G CA 1.277 46.400 45.100 0.038 0.000 0.796 413 G HN 0.501 nan 8.290 nan 0.000 0.532 414 T N 0.417 114.989 114.554 0.030 0.000 2.881 414 T HA 0.013 4.362 4.350 -0.001 0.000 0.270 414 T C 2.405 177.124 174.700 0.031 0.000 1.068 414 T CA 0.954 63.073 62.100 0.031 0.000 1.131 414 T CB -0.212 68.666 68.868 0.017 0.000 0.871 414 T HN 0.170 nan 8.240 nan 0.000 0.479 415 L N 0.381 121.623 121.223 0.031 0.000 2.131 415 L HA 0.035 4.374 4.340 -0.001 0.000 0.206 415 L C 2.927 179.841 176.870 0.073 0.000 1.087 415 L CA 1.247 56.109 54.840 0.037 0.000 0.767 415 L CB -0.545 41.531 42.059 0.028 0.000 0.917 415 L HN 0.300 nan 8.230 nan 0.000 0.441 416 S N 0.059 115.813 115.700 0.091 0.000 2.399 416 S HA -0.152 4.317 4.470 -0.001 0.000 0.231 416 S C 1.727 176.451 174.600 0.206 0.000 1.022 416 S CA 1.533 59.834 58.200 0.168 0.000 0.983 416 S CB -0.124 63.138 63.200 0.104 0.000 0.803 416 S HN 0.419 nan 8.310 nan 0.000 0.480 417 N N 1.143 119.904 118.700 0.103 0.000 2.251 417 N HA 0.196 4.936 4.740 -0.001 0.000 0.181 417 N C 1.587 177.100 175.510 0.004 0.000 1.019 417 N CA 0.891 53.975 53.050 0.057 0.000 0.862 417 N CB -0.491 38.025 38.487 0.049 0.000 0.992 417 N HN 0.368 nan 8.380 nan 0.000 0.429 418 L N 0.534 121.762 121.223 0.009 0.000 2.362 418 L HA -0.030 4.309 4.340 -0.001 0.000 0.219 418 L C 1.377 178.218 176.870 -0.047 0.000 1.134 418 L CA 1.099 55.930 54.840 -0.015 0.000 0.807 418 L CB -0.527 41.529 42.059 -0.004 0.000 0.927 418 L HN 0.277 nan 8.230 nan 0.000 0.447 419 T N -4.881 109.643 114.554 -0.049 0.000 3.145 419 T HA 0.063 4.412 4.350 -0.001 0.000 0.255 419 T C 0.491 174.995 174.700 -0.328 0.000 1.039 419 T CA -0.451 61.588 62.100 -0.101 0.000 0.928 419 T CB -0.625 68.250 68.868 0.012 0.000 1.029 419 T HN 0.193 nan 8.240 nan 0.000 0.554 420 C N 3.254 122.330 119.300 -0.374 0.000 2.442 420 C HA 0.395 4.854 4.460 -0.001 0.000 0.362 420 C C 0.619 175.453 174.990 -0.261 0.000 1.242 420 C CA -0.486 58.218 59.018 -0.523 0.000 1.741 420 C CB -2.069 25.494 27.740 -0.296 0.000 2.378 420 C HN 0.736 nan 8.230 nan 0.000 0.549 421 N N 3.657 122.218 118.700 -0.231 0.000 2.714 421 N HA -0.204 4.535 4.740 -0.001 0.000 0.252 421 N C -0.754 174.709 175.510 -0.078 0.000 1.014 421 N CA 1.162 54.150 53.050 -0.103 0.000 0.735 421 N CB -1.072 37.376 38.487 -0.065 0.000 0.924 421 N HN 0.878 nan 8.380 nan 0.000 0.540 422 N N -0.324 118.322 118.700 -0.090 0.000 2.707 422 N HA 0.135 4.874 4.740 -0.001 0.000 0.249 422 N C 0.825 176.295 175.510 -0.066 0.000 1.299 422 N CA 0.288 53.299 53.050 -0.065 0.000 0.769 422 N CB 0.501 38.947 38.487 -0.069 0.000 1.236 422 N HN 0.120 nan 8.380 nan 0.000 0.524 423 S N 2.007 117.693 115.700 -0.023 0.000 2.402 423 S HA -0.193 4.276 4.470 -0.001 0.000 0.233 423 S C 1.598 176.179 174.600 -0.031 0.000 1.030 423 S CA 0.967 59.173 58.200 0.011 0.000 1.003 423 S CB 0.023 63.271 63.200 0.081 0.000 0.813 423 S HN 0.495 nan 8.310 nan 0.000 0.477 424 K N 1.312 121.697 120.400 -0.026 0.000 2.002 424 K HA -0.027 4.292 4.320 -0.001 0.000 0.209 424 K C 2.163 178.730 176.600 -0.056 0.000 1.048 424 K CA 1.496 57.769 56.287 -0.025 0.000 0.930 424 K CB -0.359 32.132 32.500 -0.015 0.000 0.714 424 K HN 0.310 nan 8.250 nan 0.000 0.438 425 N N 1.237 119.896 118.700 -0.068 0.000 2.104 425 N HA -0.150 4.589 4.740 -0.001 0.000 0.190 425 N C 1.491 176.923 175.510 -0.130 0.000 1.024 425 N CA 1.289 54.293 53.050 -0.076 0.000 0.853 425 N CB -0.140 38.308 38.487 -0.064 0.000 1.008 425 N HN 0.178 nan 8.380 nan 0.000 0.424 426 K N -0.130 120.137 120.400 -0.221 0.000 2.044 426 K HA -0.082 4.238 4.320 -0.001 0.000 0.210 426 K C 1.963 178.257 176.600 -0.510 0.000 1.049 426 K CA 1.648 57.663 56.287 -0.452 0.000 0.927 426 K CB -0.334 31.709 32.500 -0.762 0.000 0.713 426 K HN 0.183 nan 8.250 nan 0.000 0.443 427 T N 1.680 116.036 114.554 -0.330 0.000 2.777 427 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 427 T C 1.682 176.373 174.700 -0.014 0.000 1.040 427 T CA 0.912 62.991 62.100 -0.036 0.000 1.141 427 T CB -0.155 68.769 68.868 0.092 0.000 0.868 427 T HN 0.070 nan 8.240 nan 0.000 0.444 428 L N 1.342 122.543 121.223 -0.037 0.000 2.093 428 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 428 L C 2.363 179.223 176.870 -0.017 0.000 1.085 428 L CA 1.402 56.232 54.840 -0.017 0.000 0.755 428 L CB -0.785 41.262 42.059 -0.019 0.000 0.904 428 L HN 0.064 nan 8.230 nan 0.000 0.435 429 V N -0.996 118.895 119.914 -0.038 0.000 2.307 429 V HA -0.267 3.852 4.120 -0.001 0.000 0.245 429 V C 2.575 178.666 176.094 -0.004 0.000 1.045 429 V CA 2.133 64.420 62.300 -0.023 0.000 1.024 429 V CB -0.906 30.897 31.823 -0.033 0.000 0.651 429 V HN 0.621 nan 8.190 nan 0.000 0.449 430 T N -1.520 113.033 114.554 -0.001 0.000 3.035 430 T HA -0.188 4.161 4.350 -0.001 0.000 0.268 430 T C 1.749 176.474 174.700 0.042 0.000 1.109 430 T CA 1.399 63.524 62.100 0.042 0.000 1.119 430 T CB -0.115 68.820 68.868 0.111 0.000 0.900 430 T HN 0.527 nan 8.240 nan 0.000 0.503 431 Q N 0.026 119.844 119.800 0.031 0.000 2.424 431 Q HA 0.162 4.501 4.340 -0.001 0.000 0.204 431 Q C 0.228 176.239 176.000 0.019 0.000 0.933 431 Q CA 0.326 56.146 55.803 0.028 0.000 0.929 431 Q CB 0.350 29.103 28.738 0.025 0.000 1.037 431 Q HN 0.281 nan 8.270 nan 0.000 0.511 432 N N -0.235 118.474 118.700 0.016 0.000 2.610 432 N HA 0.126 4.865 4.740 -0.001 0.000 0.309 432 N C -1.059 174.463 175.510 0.019 0.000 1.536 432 N CA -0.015 53.043 53.050 0.013 0.000 0.954 432 N CB 1.138 39.629 38.487 0.007 0.000 1.310 432 N HN -0.078 nan 8.380 nan 0.000 0.502 433 S N -1.259 114.456 115.700 0.025 0.000 3.533 433 S HA -0.194 4.275 4.470 -0.001 0.000 0.347 433 S C 1.498 176.122 174.600 0.040 0.000 1.101 433 S CA 0.837 59.058 58.200 0.034 0.000 1.009 433 S CB -1.426 61.795 63.200 0.036 0.000 0.916 433 S HN 0.692 nan 8.310 nan 0.000 0.496 434 G N 0.146 108.965 108.800 0.032 0.000 2.421 434 G HA2 0.014 3.974 3.960 -0.001 0.000 0.217 434 G HA3 0.014 3.974 3.960 -0.001 0.000 0.217 434 G C 1.186 176.107 174.900 0.034 0.000 1.143 434 G CA 0.899 46.017 45.100 0.030 0.000 0.784 434 G HN 0.548 nan 8.290 nan 0.000 0.541 435 V N 0.782 120.716 119.914 0.032 0.000 2.307 435 V HA -0.128 3.991 4.120 -0.001 0.000 0.245 435 V C 2.763 178.868 176.094 0.018 0.000 1.045 435 V CA 2.215 64.528 62.300 0.022 0.000 1.024 435 V CB -0.390 31.444 31.823 0.019 0.000 0.651 435 V HN 0.322 nan 8.190 nan 0.000 0.449 436 E N 0.777 121.000 120.200 0.039 0.000 2.077 436 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 436 E C 2.244 178.940 176.600 0.161 0.000 0.989 436 E CA 1.543 57.986 56.400 0.071 0.000 0.800 436 E CB -0.647 29.128 29.700 0.126 0.000 0.746 436 E HN 0.571 nan 8.360 nan 0.000 0.452 437 A N 0.385 123.289 122.820 0.140 0.000 1.933 437 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 437 A C 2.174 179.821 177.584 0.105 0.000 1.175 437 A CA 1.087 53.209 52.037 0.140 0.000 0.628 437 A CB -0.560 18.483 19.000 0.072 0.000 0.814 437 A HN 0.199 nan 8.150 nan 0.000 0.444 438 L N -0.722 120.534 121.223 0.056 0.000 2.109 438 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 438 L C 2.401 179.278 176.870 0.012 0.000 1.086 438 L CA 0.901 55.758 54.840 0.030 0.000 0.760 438 L CB -0.359 41.708 42.059 0.014 0.000 0.910 438 L HN 0.374 nan 8.230 nan 0.000 0.437 439 I N -0.870 119.685 120.570 -0.026 0.000 2.226 439 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 439 I C 2.246 178.308 176.117 -0.092 0.000 1.100 439 I CA 1.388 62.637 61.300 -0.086 0.000 1.374 439 I CB -0.452 37.453 38.000 -0.158 0.000 1.057 439 I HN 0.288 nan 8.210 nan 0.000 0.413 440 H N 0.297 119.378 119.070 0.019 0.000 2.489 440 H HA -0.040 4.514 4.556 -0.003 0.000 0.293 440 H C 2.234 177.567 175.328 0.009 0.000 1.066 440 H CA 1.085 57.142 56.048 0.016 0.000 1.305 440 H CB 0.043 29.813 29.762 0.014 0.000 1.386 440 H HN 0.361 nan 8.280 nan 0.000 0.551 441 A N 0.356 123.240 122.820 0.107 0.000 1.975 441 A HA -0.007 4.313 4.320 -0.001 0.000 0.215 441 A C 2.147 179.753 177.584 0.035 0.000 1.170 441 A CA 0.641 52.714 52.037 0.060 0.000 0.656 441 A CB -0.225 18.801 19.000 0.042 0.000 0.821 441 A HN 0.323 nan 8.150 nan 0.000 0.449 442 I N -0.281 120.302 120.570 0.022 0.000 2.439 442 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 442 I C 2.103 178.227 176.117 0.011 0.000 1.139 442 I CA 0.833 62.138 61.300 0.009 0.000 1.438 442 I CB -0.233 37.765 38.000 -0.004 0.000 1.085 442 I HN 0.271 nan 8.210 nan 0.000 0.427 443 L N 0.258 121.492 121.223 0.018 0.000 2.131 443 L HA -0.099 4.240 4.340 -0.001 0.000 0.206 443 L C 2.719 179.606 176.870 0.029 0.000 1.087 443 L CA 0.950 55.803 54.840 0.021 0.000 0.767 443 L CB -0.512 41.565 42.059 0.030 0.000 0.917 443 L HN 0.206 nan 8.230 nan 0.000 0.441 444 R N 0.491 121.015 120.500 0.040 0.000 2.153 444 R HA -0.062 4.277 4.340 -0.001 0.000 0.218 444 R C 2.136 178.448 176.300 0.020 0.000 1.072 444 R CA 1.088 57.206 56.100 0.031 0.000 0.990 444 R CB 0.018 30.339 30.300 0.035 0.000 0.889 444 R HN 0.300 nan 8.270 nan 0.000 0.452 445 A N 0.199 123.030 122.820 0.018 0.000 1.903 445 A HA 0.244 4.563 4.320 -0.001 0.000 0.213 445 A C 1.560 179.149 177.584 0.009 0.000 1.185 445 A CA 1.173 53.218 52.037 0.014 0.000 0.628 445 A CB -0.636 18.372 19.000 0.014 0.000 0.830 445 A HN 0.561 nan 8.150 nan 0.000 0.446 446 G N -0.145 108.659 108.800 0.007 0.000 2.620 446 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.315 446 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.315 446 G C 0.413 175.312 174.900 -0.002 0.000 1.179 446 G CA 0.655 45.756 45.100 0.002 0.000 0.971 446 G HN 0.367 nan 8.290 nan 0.000 0.544 447 D N 2.253 122.651 120.400 -0.003 0.000 2.336 447 D HA 0.143 4.782 4.640 -0.001 0.000 0.229 447 D C 0.835 177.134 176.300 -0.002 0.000 1.061 447 D CA 0.430 54.426 54.000 -0.006 0.000 0.875 447 D CB 0.079 40.873 40.800 -0.009 0.000 0.904 447 D HN 0.400 nan 8.370 nan 0.000 0.525 448 K N 1.969 122.372 120.400 0.004 0.000 2.220 448 K HA 0.013 4.332 4.320 -0.001 0.000 0.283 448 K C 0.538 177.145 176.600 0.012 0.000 1.098 448 K CA -0.160 56.134 56.287 0.011 0.000 0.928 448 K CB 0.822 33.331 32.500 0.015 0.000 1.214 448 K HN 0.030 nan 8.250 nan 0.000 0.442 449 D N 1.574 121.980 120.400 0.011 0.000 2.392 449 D HA -0.151 4.488 4.640 -0.001 0.000 0.228 449 D C 0.324 176.639 176.300 0.025 0.000 1.003 449 D CA 0.666 54.675 54.000 0.014 0.000 0.917 449 D CB 0.243 41.050 40.800 0.011 0.000 0.890 449 D HN 0.304 nan 8.370 nan 0.000 0.532 450 D N -0.006 120.412 120.400 0.030 0.000 2.234 450 D HA 0.069 4.708 4.640 -0.001 0.000 0.205 450 D C 2.023 178.344 176.300 0.035 0.000 0.962 450 D CA 0.476 54.501 54.000 0.041 0.000 0.855 450 D CB 0.428 41.258 40.800 0.051 0.000 0.951 450 D HN 0.399 nan 8.370 nan 0.000 0.500 451 I N 0.162 120.748 120.570 0.025 0.000 3.300 451 I HA -0.096 4.073 4.170 -0.001 0.000 0.279 451 I C 2.388 178.513 176.117 0.014 0.000 1.172 451 I CA 0.695 62.007 61.300 0.019 0.000 1.431 451 I CB -0.288 37.721 38.000 0.016 0.000 1.240 451 I HN -0.061 nan 8.210 nan 0.000 0.453 452 T N -0.849 113.711 114.554 0.011 0.000 2.708 452 T HA -0.249 4.100 4.350 -0.001 0.000 0.266 452 T C 1.679 176.381 174.700 0.002 0.000 1.037 452 T CA 1.714 63.817 62.100 0.004 0.000 1.146 452 T CB -0.482 68.387 68.868 0.001 0.000 0.865 452 T HN 0.387 nan 8.240 nan 0.000 0.435 453 E N 2.092 122.297 120.200 0.009 0.000 2.023 453 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 453 E C -0.495 176.105 176.600 0.001 0.000 1.003 453 E CA 1.318 57.723 56.400 0.009 0.000 0.809 453 E CB -0.803 28.911 29.700 0.023 0.000 0.755 453 E HN 0.411 nan 8.360 nan 0.000 0.449 454 P HA -0.138 nan 4.420 nan 0.000 0.216 454 P C 0.927 178.222 177.300 -0.008 0.000 1.150 454 P CA 2.094 65.201 63.100 0.011 0.000 0.837 454 P CB -0.106 31.610 31.700 0.027 0.000 0.786 455 A N -0.851 121.965 122.820 -0.006 0.000 1.969 455 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 455 A C 2.255 179.819 177.584 -0.033 0.000 1.169 455 A CA 1.456 53.486 52.037 -0.011 0.000 0.635 455 A CB -1.506 17.494 19.000 -0.001 0.000 0.810 455 A HN 0.056 nan 8.150 nan 0.000 0.445 456 V N -1.259 118.632 119.914 -0.039 0.000 2.591 456 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 456 V C 2.507 178.535 176.094 -0.110 0.000 1.053 456 V CA 1.628 63.896 62.300 -0.053 0.000 1.068 456 V CB -0.796 31.008 31.823 -0.031 0.000 0.689 456 V HN 0.702 nan 8.190 nan 0.000 0.462 457 C N 0.463 119.675 119.300 -0.146 0.000 2.446 457 C HA -0.066 4.393 4.460 -0.001 0.000 0.277 457 C C 3.099 177.745 174.990 -0.574 0.000 1.275 457 C CA 0.859 59.677 59.018 -0.334 0.000 1.727 457 C CB -1.233 26.374 27.740 -0.223 0.000 2.010 457 C HN 0.612 nan 8.230 nan 0.000 0.486 458 A N 0.233 122.909 122.820 -0.241 0.000 1.933 458 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 458 A C 2.089 179.641 177.584 -0.053 0.000 1.175 458 A CA 1.445 53.437 52.037 -0.074 0.000 0.628 458 A CB -0.546 18.464 19.000 0.017 0.000 0.814 458 A HN 0.632 nan 8.150 nan 0.000 0.444 459 L N -1.421 119.759 121.223 -0.071 0.000 2.109 459 L HA -0.080 4.259 4.340 -0.001 0.000 0.207 459 L C 2.747 179.604 176.870 -0.022 0.000 1.086 459 L CA 1.328 56.151 54.840 -0.027 0.000 0.760 459 L CB -0.388 41.654 42.059 -0.027 0.000 0.910 459 L HN 0.411 nan 8.230 nan 0.000 0.437 460 R N -0.495 119.952 120.500 -0.088 0.000 2.092 460 R HA -0.158 4.181 4.340 -0.001 0.000 0.231 460 R C 2.218 178.543 176.300 0.043 0.000 1.119 460 R CA 1.481 57.551 56.100 -0.050 0.000 0.970 460 R CB -0.214 30.026 30.300 -0.100 0.000 0.864 460 R HN 0.493 nan 8.270 nan 0.000 0.440 461 H N -0.054 119.038 119.070 0.037 0.000 2.293 461 H HA -0.100 4.455 4.556 -0.001 0.000 0.300 461 H C 2.028 177.394 175.328 0.063 0.000 1.082 461 H CA 1.446 57.515 56.048 0.036 0.000 1.308 461 H CB -0.008 29.760 29.762 0.008 0.000 1.375 461 H HN 0.153 nan 8.280 nan 0.000 0.495 462 L N 0.871 122.201 121.223 0.178 0.000 2.456 462 L HA -0.071 4.268 4.340 -0.001 0.000 0.224 462 L C 1.607 178.664 176.870 0.312 0.000 1.148 462 L CA 1.097 56.044 54.840 0.179 0.000 0.825 462 L CB -0.253 41.868 42.059 0.103 0.000 0.937 462 L HN 0.446 nan 8.230 nan 0.000 0.450 463 T N -5.434 109.228 114.554 0.181 0.000 3.176 463 T HA 0.203 4.552 4.350 -0.001 0.000 0.263 463 T C 0.387 175.132 174.700 0.075 0.000 1.021 463 T CA -0.267 61.893 62.100 0.100 0.000 0.905 463 T CB 0.414 69.309 68.868 0.044 0.000 1.057 463 T HN 0.055 nan 8.240 nan 0.000 0.558 464 S N 0.859 116.645 115.700 0.144 0.000 2.543 464 S HA 0.511 4.980 4.470 -0.001 0.000 0.273 464 S C -0.771 173.922 174.600 0.155 0.000 1.152 464 S CA -0.825 57.436 58.200 0.102 0.000 0.910 464 S CB 0.882 64.142 63.200 0.099 0.000 1.105 464 S HN 0.451 nan 8.310 nan 0.000 0.465 465 R N 1.723 122.267 120.500 0.074 0.000 3.332 465 R HA -0.193 4.146 4.340 -0.001 0.000 0.263 465 R C -0.849 175.549 176.300 0.164 0.000 1.053 465 R CA 1.463 57.615 56.100 0.086 0.000 0.705 465 R CB -2.796 27.555 30.300 0.084 0.000 1.166 465 R HN 0.947 nan 8.270 nan 0.000 0.427 466 H N -4.926 114.151 119.070 0.012 0.000 3.060 466 H HA 0.303 4.858 4.556 -0.002 0.000 0.330 466 H C -2.728 172.603 175.328 0.006 0.000 1.305 466 H CA -1.822 54.231 56.048 0.008 0.000 1.209 466 H CB 1.211 30.978 29.762 0.009 0.000 1.913 466 H HN -0.277 nan 8.280 nan 0.000 0.534 467 P HA -0.191 nan 4.420 nan 0.000 0.218 467 P C 0.369 177.589 177.300 -0.132 0.000 1.147 467 P CA 1.500 64.574 63.100 -0.044 0.000 0.827 467 P CB 0.268 31.991 31.700 0.039 0.000 0.778 468 E N -2.091 117.972 120.200 -0.228 0.000 2.558 468 E HA 0.266 4.615 4.350 -0.001 0.000 0.205 468 E C 1.520 177.861 176.600 -0.433 0.000 1.006 468 E CA -0.051 56.248 56.400 -0.169 0.000 0.961 468 E CB 0.020 29.813 29.700 0.155 0.000 1.044 468 E HN 0.139 nan 8.360 nan 0.000 0.465 469 A N 1.353 123.633 122.820 -0.899 0.000 1.873 469 A HA -0.205 4.114 4.320 -0.001 0.000 0.215 469 A C 2.107 179.574 177.584 -0.196 0.000 1.186 469 A CA 1.502 53.208 52.037 -0.552 0.000 0.616 469 A CB -0.300 18.442 19.000 -0.431 0.000 0.823 469 A HN 0.257 nan 8.150 nan 0.000 0.442 470 E N -0.788 119.310 120.200 -0.169 0.000 2.209 470 E HA -0.230 4.119 4.350 -0.001 0.000 0.196 470 E C 1.915 178.471 176.600 -0.073 0.000 0.993 470 E CA 1.360 57.701 56.400 -0.097 0.000 0.819 470 E CB -0.176 29.475 29.700 -0.082 0.000 0.745 470 E HN 0.701 nan 8.360 nan 0.000 0.477 471 M N -0.055 119.504 119.600 -0.070 0.000 2.123 471 M HA -0.062 4.417 4.480 -0.001 0.000 0.263 471 M C 2.224 178.514 176.300 -0.017 0.000 1.069 471 M CA 1.633 56.912 55.300 -0.034 0.000 1.133 471 M CB -0.014 32.577 32.600 -0.015 0.000 1.356 471 M HN 0.173 nan 8.290 nan 0.000 0.415 472 A N 0.013 122.836 122.820 0.005 0.000 1.972 472 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 472 A C 1.893 179.475 177.584 -0.004 0.000 1.169 472 A CA 1.640 53.694 52.037 0.028 0.000 0.635 472 A CB -0.757 18.301 19.000 0.097 0.000 0.810 472 A HN 0.711 nan 8.150 nan 0.000 0.446 473 Q N -0.364 119.422 119.800 -0.023 0.000 2.170 473 Q HA -0.141 4.198 4.340 -0.001 0.000 0.203 473 Q C 1.656 177.622 176.000 -0.057 0.000 0.976 473 Q CA 1.411 57.190 55.803 -0.041 0.000 0.858 473 Q CB -0.150 28.554 28.738 -0.056 0.000 0.907 473 Q HN 0.662 nan 8.270 nan 0.000 0.433 474 N N -0.289 118.377 118.700 -0.056 0.000 2.290 474 N HA -0.075 4.664 4.740 -0.001 0.000 0.179 474 N C 1.942 177.409 175.510 -0.071 0.000 1.016 474 N CA 1.321 54.331 53.050 -0.066 0.000 0.871 474 N CB 0.048 38.500 38.487 -0.058 0.000 0.987 474 N HN 0.206 nan 8.380 nan 0.000 0.431 475 S N 0.538 116.206 115.700 -0.053 0.000 2.402 475 S HA -0.036 4.433 4.470 -0.001 0.000 0.229 475 S C 2.178 176.735 174.600 -0.072 0.000 1.021 475 S CA 0.668 58.835 58.200 -0.054 0.000 0.974 475 S CB -0.676 62.510 63.200 -0.024 0.000 0.800 475 S HN -0.028 nan 8.310 nan 0.000 0.484 476 V N 2.173 122.051 119.914 -0.061 0.000 2.407 476 V HA -0.142 3.977 4.120 -0.001 0.000 0.248 476 V C 2.953 178.989 176.094 -0.097 0.000 1.055 476 V CA 2.192 64.453 62.300 -0.065 0.000 1.049 476 V CB -0.816 30.980 31.823 -0.045 0.000 0.662 476 V HN 0.546 nan 8.190 nan 0.000 0.455 477 R N -0.281 120.151 120.500 -0.114 0.000 2.062 477 R HA -0.028 4.311 4.340 -0.001 0.000 0.226 477 R C 2.306 178.436 176.300 -0.283 0.000 1.125 477 R CA 1.221 57.227 56.100 -0.155 0.000 0.966 477 R CB -0.220 30.003 30.300 -0.127 0.000 0.861 477 R HN 0.429 nan 8.270 nan 0.000 0.433 478 L N 0.984 122.057 121.223 -0.250 0.000 2.127 478 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 478 L C 1.164 177.768 176.870 -0.443 0.000 1.089 478 L CA 1.003 55.649 54.840 -0.323 0.000 0.757 478 L CB -0.320 41.636 42.059 -0.171 0.000 0.899 478 L HN 0.248 nan 8.230 nan 0.000 0.434 479 N N -0.662 117.872 118.700 -0.277 0.000 2.295 479 N HA 0.037 4.776 4.740 -0.001 0.000 0.221 479 N C -0.678 174.803 175.510 -0.047 0.000 1.129 479 N CA -0.119 52.844 53.050 -0.144 0.000 0.836 479 N CB 0.401 38.838 38.487 -0.083 0.000 1.040 479 N HN 0.202 nan 8.380 nan 0.000 0.494 480 Y N -0.562 119.705 120.300 -0.055 0.000 3.001 480 Y HA -0.246 4.304 4.550 -0.000 0.000 0.199 480 Y C 1.549 177.411 175.900 -0.064 0.000 1.320 480 Y CA 0.401 58.470 58.100 -0.051 0.000 0.974 480 Y CB -1.994 36.441 38.460 -0.043 0.000 1.291 480 Y HN 0.179 nan 8.280 nan 0.000 0.465 481 G N -0.603 108.205 108.800 0.013 0.000 2.719 481 G HA2 0.009 3.968 3.960 -0.001 0.000 0.211 481 G HA3 0.009 3.968 3.960 -0.001 0.000 0.211 481 G C 1.453 176.354 174.900 0.003 0.000 1.140 481 G CA 0.557 45.653 45.100 -0.006 0.000 0.790 481 G HN 0.404 nan 8.290 nan 0.000 0.529 482 I N 2.018 122.592 120.570 0.006 0.000 2.127 482 I HA -0.103 4.066 4.170 -0.001 0.000 0.241 482 I C -0.047 176.082 176.117 0.021 0.000 1.075 482 I CA 1.424 62.729 61.300 0.008 0.000 1.334 482 I CB -1.917 36.087 38.000 0.007 0.000 1.040 482 I HN 0.075 nan 8.210 nan 0.000 0.405 483 P HA -0.138 nan 4.420 nan 0.000 0.213 483 P C 1.798 179.107 177.300 0.016 0.000 1.170 483 P CA 2.235 65.354 63.100 0.031 0.000 0.898 483 P CB -0.103 31.623 31.700 0.043 0.000 0.787 484 A N -0.835 121.993 122.820 0.014 0.000 1.892 484 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 484 A C 2.297 179.880 177.584 -0.001 0.000 1.188 484 A CA 1.927 53.966 52.037 0.003 0.000 0.631 484 A CB -1.764 17.234 19.000 -0.002 0.000 0.822 484 A HN 0.112 nan 8.150 nan 0.000 0.447 485 I N -0.691 119.878 120.570 -0.001 0.000 2.163 485 I HA -0.207 3.962 4.170 -0.001 0.000 0.240 485 I C 2.403 178.520 176.117 -0.000 0.000 1.081 485 I CA 1.217 62.514 61.300 -0.004 0.000 1.353 485 I CB -0.384 37.613 38.000 -0.006 0.000 1.054 485 I HN 0.165 nan 8.210 nan 0.000 0.407 486 V N 1.123 121.040 119.914 0.004 0.000 2.282 486 V HA -0.377 3.742 4.120 -0.001 0.000 0.249 486 V C 2.504 178.599 176.094 0.002 0.000 1.057 486 V CA 2.227 64.531 62.300 0.007 0.000 1.032 486 V CB -0.813 31.017 31.823 0.012 0.000 0.645 486 V HN 0.456 nan 8.190 nan 0.000 0.447 487 K N -0.093 120.306 120.400 -0.001 0.000 2.211 487 K HA -0.167 4.152 4.320 -0.001 0.000 0.204 487 K C 1.906 178.497 176.600 -0.015 0.000 1.047 487 K CA 1.382 57.664 56.287 -0.007 0.000 0.935 487 K CB -0.240 32.256 32.500 -0.007 0.000 0.728 487 K HN 0.464 nan 8.250 nan 0.000 0.452 488 L N 1.072 122.287 121.223 -0.013 0.000 2.549 488 L HA -0.102 4.237 4.340 -0.001 0.000 0.229 488 L C 1.787 178.640 176.870 -0.028 0.000 1.158 488 L CA 0.304 55.132 54.840 -0.020 0.000 0.842 488 L CB -0.200 41.851 42.059 -0.013 0.000 0.952 488 L HN 0.228 nan 8.230 nan 0.000 0.452 489 L N -0.538 120.673 121.223 -0.020 0.000 2.465 489 L HA -0.073 4.266 4.340 -0.001 0.000 0.224 489 L C 0.778 177.612 176.870 -0.059 0.000 1.145 489 L CA 0.471 55.297 54.840 -0.023 0.000 0.834 489 L CB -0.289 41.771 42.059 0.001 0.000 0.944 489 L HN 0.302 nan 8.230 nan 0.000 0.451 490 N N 0.532 119.196 118.700 -0.060 0.000 2.714 490 N HA 0.105 4.844 4.740 -0.001 0.000 0.298 490 N C -0.393 175.058 175.510 -0.099 0.000 1.298 490 N CA 0.104 53.107 53.050 -0.078 0.000 1.007 490 N CB 0.463 38.920 38.487 -0.050 0.000 1.318 490 N HN 0.218 nan 8.380 nan 0.000 0.516 491 Q N 0.235 119.954 119.800 -0.135 0.000 2.256 491 Q HA 0.362 4.701 4.340 -0.001 0.000 0.257 491 Q C -1.446 174.419 176.000 -0.224 0.000 0.936 491 Q CA -1.466 54.251 55.803 -0.144 0.000 0.903 491 Q CB 1.620 30.287 28.738 -0.118 0.000 1.263 491 Q HN 0.112 nan 8.270 nan 0.000 0.440 492 P HA -0.091 nan 4.420 nan 0.000 0.204 492 P C 0.281 177.417 177.300 -0.274 0.000 1.012 492 P CA 0.811 63.796 63.100 -0.192 0.000 0.835 492 P CB 0.295 31.930 31.700 -0.109 0.000 0.603 493 N N -0.661 117.937 118.700 -0.170 0.000 2.375 493 N HA 0.025 4.764 4.740 -0.001 0.000 0.220 493 N C 0.132 175.576 175.510 -0.111 0.000 1.170 493 N CA 0.293 53.262 53.050 -0.135 0.000 0.833 493 N CB -0.475 37.995 38.487 -0.029 0.000 1.069 493 N HN 0.182 nan 8.380 nan 0.000 0.479 494 Q N -0.595 119.093 119.800 -0.186 0.000 2.788 494 Q HA 0.210 4.549 4.340 -0.001 0.000 0.278 494 Q C 0.118 176.068 176.000 -0.083 0.000 1.126 494 Q CA -0.423 55.331 55.803 -0.083 0.000 1.017 494 Q CB -0.353 28.351 28.738 -0.058 0.000 1.219 494 Q HN 0.225 nan 8.270 nan 0.000 0.503 495 W N 1.963 123.272 121.300 0.014 0.000 2.355 495 W HA -0.058 4.605 4.660 0.004 0.000 0.309 495 W C -0.698 175.831 176.519 0.016 0.000 1.206 495 W CA 0.963 58.317 57.345 0.016 0.000 1.284 495 W CB -0.791 28.679 29.460 0.017 0.000 1.145 495 W HN 0.539 nan 8.180 nan 0.000 0.502 496 P HA -0.241 nan 4.420 nan 0.000 0.216 496 P C 1.670 179.035 177.300 0.108 0.000 1.150 496 P CA 1.467 64.659 63.100 0.153 0.000 0.843 496 P CB -0.286 31.481 31.700 0.111 0.000 0.787 497 L N -1.150 120.121 121.223 0.080 0.000 2.156 497 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 497 L C 2.066 178.964 176.870 0.047 0.000 1.095 497 L CA 1.655 56.520 54.840 0.042 0.000 0.770 497 L CB -0.972 41.094 42.059 0.012 0.000 0.914 497 L HN -0.200 nan 8.230 nan 0.000 0.439 498 V N -0.066 119.891 119.914 0.072 0.000 2.323 498 V HA -0.249 3.870 4.120 -0.001 0.000 0.244 498 V C 2.632 178.809 176.094 0.137 0.000 1.041 498 V CA 1.968 64.320 62.300 0.088 0.000 1.025 498 V CB -0.642 31.230 31.823 0.082 0.000 0.656 498 V HN 0.506 nan 8.190 nan 0.000 0.451 499 K N 0.369 120.880 120.400 0.186 0.000 2.032 499 K HA -0.212 4.108 4.320 -0.001 0.000 0.209 499 K C 2.170 178.822 176.600 0.087 0.000 1.048 499 K CA 1.736 58.109 56.287 0.144 0.000 0.927 499 K CB -0.334 32.248 32.500 0.136 0.000 0.712 499 K HN 0.421 nan 8.250 nan 0.000 0.441 500 A N 0.382 123.243 122.820 0.068 0.000 1.933 500 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 500 A C 2.146 179.740 177.584 0.018 0.000 1.175 500 A CA 2.117 54.171 52.037 0.029 0.000 0.628 500 A CB -0.854 18.152 19.000 0.010 0.000 0.814 500 A HN 0.436 nan 8.150 nan 0.000 0.444 501 T N 0.268 114.839 114.554 0.029 0.000 2.821 501 T HA -0.031 4.318 4.350 -0.001 0.000 0.267 501 T C 1.783 176.501 174.700 0.031 0.000 1.046 501 T CA 1.323 63.435 62.100 0.020 0.000 1.139 501 T CB -0.373 68.506 68.868 0.019 0.000 0.871 501 T HN 0.431 nan 8.240 nan 0.000 0.454 502 I N 1.284 121.886 120.570 0.052 0.000 2.163 502 I HA -0.134 4.035 4.170 -0.001 0.000 0.243 502 I C 2.921 179.068 176.117 0.049 0.000 1.085 502 I CA 1.404 62.740 61.300 0.059 0.000 1.347 502 I CB -0.836 37.214 38.000 0.084 0.000 1.044 502 I HN 0.309 nan 8.210 nan 0.000 0.408 503 G N 1.165 109.992 108.800 0.046 0.000 2.440 503 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 503 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 503 G C 1.652 176.568 174.900 0.026 0.000 1.154 503 G CA 0.724 45.848 45.100 0.040 0.000 0.767 503 G HN 0.270 nan 8.290 nan 0.000 0.552 504 L N 0.881 122.111 121.223 0.012 0.000 2.042 504 L HA 0.030 4.369 4.340 -0.001 0.000 0.210 504 L C 2.651 179.525 176.870 0.005 0.000 1.076 504 L CA 1.362 56.202 54.840 0.001 0.000 0.749 504 L CB -0.505 41.547 42.059 -0.013 0.000 0.893 504 L HN 0.288 nan 8.230 nan 0.000 0.432 505 I N -0.682 119.896 120.570 0.013 0.000 2.226 505 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 505 I C 2.755 178.880 176.117 0.013 0.000 1.100 505 I CA 1.478 62.786 61.300 0.013 0.000 1.374 505 I CB -0.421 37.594 38.000 0.025 0.000 1.057 505 I HN 0.350 nan 8.210 nan 0.000 0.413 506 R N 1.156 121.671 120.500 0.024 0.000 2.096 506 R HA -0.226 4.114 4.340 -0.001 0.000 0.240 506 R C 2.116 178.422 176.300 0.011 0.000 1.139 506 R CA 2.168 58.283 56.100 0.025 0.000 0.952 506 R CB -0.231 30.093 30.300 0.039 0.000 0.854 506 R HN 0.353 nan 8.270 nan 0.000 0.436 507 N N 0.755 119.462 118.700 0.012 0.000 2.104 507 N HA -0.162 4.577 4.740 -0.001 0.000 0.190 507 N C 1.854 177.350 175.510 -0.022 0.000 1.024 507 N CA 1.292 54.344 53.050 0.004 0.000 0.853 507 N CB -0.343 38.154 38.487 0.017 0.000 1.008 507 N HN 0.264 nan 8.380 nan 0.000 0.424 508 L N 0.287 121.493 121.223 -0.028 0.000 2.131 508 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 508 L C 2.128 178.937 176.870 -0.101 0.000 1.092 508 L CA 0.927 55.733 54.840 -0.057 0.000 0.759 508 L CB -0.424 41.608 42.059 -0.045 0.000 0.903 508 L HN 0.129 nan 8.230 nan 0.000 0.435 509 A N -0.204 122.572 122.820 -0.073 0.000 2.119 509 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 509 A C 2.227 179.736 177.584 -0.125 0.000 1.153 509 A CA 0.764 52.743 52.037 -0.096 0.000 0.692 509 A CB -0.429 18.585 19.000 0.024 0.000 0.799 509 A HN 0.355 nan 8.150 nan 0.000 0.458 510 L N -0.772 120.402 121.223 -0.081 0.000 2.046 510 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 510 L C 1.645 178.450 176.870 -0.108 0.000 1.077 510 L CA 0.492 55.297 54.840 -0.058 0.000 0.747 510 L CB -0.705 41.332 42.059 -0.037 0.000 0.896 510 L HN 0.516 nan 8.230 nan 0.000 0.432 511 C N 2.061 121.264 119.300 -0.161 0.000 2.624 511 C HA 0.125 4.584 4.460 -0.001 0.000 0.397 511 C C -0.565 174.224 174.990 -0.335 0.000 1.331 511 C CA -1.567 57.345 59.018 -0.177 0.000 1.716 511 C CB 0.227 27.881 27.740 -0.142 0.000 2.452 511 C HN 0.144 nan 8.230 nan 0.000 0.586 512 P HA -0.075 nan 4.420 nan 0.000 0.219 512 P C 1.178 178.408 177.300 -0.117 0.000 1.146 512 P CA 1.844 64.877 63.100 -0.111 0.000 0.808 512 P CB 0.045 31.786 31.700 0.068 0.000 0.779 513 A N -1.006 121.739 122.820 -0.125 0.000 2.206 513 A HA -0.052 4.267 4.320 -0.001 0.000 0.211 513 A C 1.733 179.254 177.584 -0.104 0.000 1.158 513 A CA 0.959 52.949 52.037 -0.078 0.000 0.761 513 A CB -0.835 18.125 19.000 -0.066 0.000 0.801 513 A HN 0.112 nan 8.150 nan 0.000 0.473 514 N N -0.849 117.730 118.700 -0.202 0.000 2.325 514 N HA 0.054 4.794 4.740 -0.001 0.000 0.182 514 N C 1.004 176.442 175.510 -0.120 0.000 1.088 514 N CA 0.460 53.411 53.050 -0.164 0.000 0.879 514 N CB -0.366 38.013 38.487 -0.180 0.000 0.983 514 N HN 0.711 nan 8.380 nan 0.000 0.471 515 H N 0.579 119.640 119.070 -0.015 0.000 2.352 515 H HA -0.017 4.538 4.556 -0.002 0.000 0.299 515 H C 1.951 177.277 175.328 -0.003 0.000 1.097 515 H CA 1.748 57.790 56.048 -0.011 0.000 1.311 515 H CB 0.260 30.013 29.762 -0.014 0.000 1.377 515 H HN 0.229 nan 8.280 nan 0.000 0.504 516 A N 1.020 123.906 122.820 0.110 0.000 1.840 516 A HA -0.049 4.270 4.320 -0.001 0.000 0.214 516 A C -0.213 177.396 177.584 0.042 0.000 1.198 516 A CA 1.000 53.076 52.037 0.064 0.000 0.608 516 A CB -1.311 17.717 19.000 0.047 0.000 0.839 516 A HN 0.249 nan 8.150 nan 0.000 0.443 517 P HA -0.193 nan 4.420 nan 0.000 0.218 517 P C 1.432 178.745 177.300 0.021 0.000 1.152 517 P CA 1.139 64.248 63.100 0.015 0.000 0.857 517 P CB -0.162 31.532 31.700 -0.010 0.000 0.787 518 L N -1.117 120.120 121.223 0.023 0.000 2.072 518 L HA -0.149 4.190 4.340 -0.001 0.000 0.205 518 L C 2.749 179.643 176.870 0.039 0.000 1.079 518 L CA 1.375 56.233 54.840 0.029 0.000 0.752 518 L CB -0.855 41.224 42.059 0.034 0.000 0.906 518 L HN 0.016 nan 8.230 nan 0.000 0.436 519 Q N -0.065 119.764 119.800 0.048 0.000 2.291 519 Q HA -0.185 4.155 4.340 -0.001 0.000 0.205 519 Q C 1.881 177.903 176.000 0.035 0.000 0.970 519 Q CA 0.958 56.788 55.803 0.045 0.000 0.876 519 Q CB 0.274 29.041 28.738 0.048 0.000 0.935 519 Q HN 0.442 nan 8.270 nan 0.000 0.455 520 E N 0.046 120.267 120.200 0.033 0.000 2.106 520 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 520 E C 1.380 177.996 176.600 0.026 0.000 0.984 520 E CA 1.092 57.510 56.400 0.029 0.000 0.806 520 E CB -0.083 29.636 29.700 0.031 0.000 0.750 520 E HN 0.385 nan 8.360 nan 0.000 0.458 521 A N 0.458 123.294 122.820 0.027 0.000 2.302 521 A HA 0.420 4.739 4.320 -0.001 0.000 0.219 521 A C 1.096 178.693 177.584 0.021 0.000 1.243 521 A CA 0.690 52.741 52.037 0.023 0.000 0.856 521 A CB -0.280 18.733 19.000 0.022 0.000 0.893 521 A HN 0.166 nan 8.150 nan 0.000 0.491 522 A N -1.511 121.324 122.820 0.024 0.000 2.687 522 A HA -0.153 4.167 4.320 -0.001 0.000 0.299 522 A C 1.227 178.827 177.584 0.027 0.000 1.497 522 A CA 0.852 52.903 52.037 0.025 0.000 0.751 522 A CB -2.484 16.527 19.000 0.018 0.000 1.048 522 A HN 0.912 nan 8.150 nan 0.000 0.464 523 V N -0.201 119.733 119.914 0.033 0.000 2.453 523 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 523 V C 2.395 178.517 176.094 0.046 0.000 1.048 523 V CA 2.087 64.409 62.300 0.037 0.000 1.049 523 V CB -0.600 31.247 31.823 0.040 0.000 0.672 523 V HN 0.785 nan 8.190 nan 0.000 0.457 524 I N 0.315 120.915 120.570 0.050 0.000 2.163 524 I HA -0.177 3.992 4.170 -0.001 0.000 0.243 524 I C -0.079 176.068 176.117 0.050 0.000 1.085 524 I CA 1.773 63.108 61.300 0.059 0.000 1.347 524 I CB -1.607 36.429 38.000 0.061 0.000 1.044 524 I HN 0.371 nan 8.210 nan 0.000 0.408 525 P HA -0.183 nan 4.420 nan 0.000 0.213 525 P C 1.552 178.868 177.300 0.028 0.000 1.170 525 P CA 1.323 64.438 63.100 0.025 0.000 0.898 525 P CB -0.095 31.616 31.700 0.018 0.000 0.787 526 R N 0.004 120.521 120.500 0.029 0.000 2.105 526 R HA -0.082 4.258 4.340 -0.001 0.000 0.239 526 R C 2.224 178.552 176.300 0.046 0.000 1.135 526 R CA 1.508 57.626 56.100 0.030 0.000 0.967 526 R CB -1.678 28.636 30.300 0.023 0.000 0.861 526 R HN 0.162 nan 8.270 nan 0.000 0.442 527 L N -0.836 120.421 121.223 0.056 0.000 2.005 527 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 527 L C 2.219 179.136 176.870 0.079 0.000 1.072 527 L CA 1.183 56.069 54.840 0.076 0.000 0.744 527 L CB -0.463 41.647 42.059 0.085 0.000 0.895 527 L HN 0.017 nan 8.230 nan 0.000 0.433 528 V N -0.400 119.551 119.914 0.061 0.000 2.594 528 V HA -0.308 3.811 4.120 -0.001 0.000 0.253 528 V C 2.383 178.491 176.094 0.024 0.000 1.069 528 V CA 1.649 63.968 62.300 0.033 0.000 1.082 528 V CB -0.502 31.322 31.823 0.001 0.000 0.680 528 V HN 0.516 nan 8.190 nan 0.000 0.469 529 Q N -0.188 119.633 119.800 0.034 0.000 2.046 529 Q HA -0.154 4.185 4.340 -0.001 0.000 0.200 529 Q C 2.240 178.282 176.000 0.071 0.000 0.975 529 Q CA 1.628 57.454 55.803 0.038 0.000 0.836 529 Q CB -0.110 28.646 28.738 0.031 0.000 0.896 529 Q HN 0.610 nan 8.270 nan 0.000 0.428 530 L N 0.278 121.558 121.223 0.095 0.000 2.083 530 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 530 L C 2.408 179.363 176.870 0.142 0.000 1.083 530 L CA 0.393 55.325 54.840 0.153 0.000 0.752 530 L CB -0.513 41.652 42.059 0.176 0.000 0.899 530 L HN 0.324 nan 8.230 nan 0.000 0.433 531 L N -0.235 121.051 121.223 0.105 0.000 1.976 531 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 531 L C 2.459 179.380 176.870 0.084 0.000 1.071 531 L CA 1.765 56.660 54.840 0.092 0.000 0.746 531 L CB -0.526 41.574 42.059 0.069 0.000 0.890 531 L HN -0.077 nan 8.230 nan 0.000 0.432 532 V N -0.001 119.940 119.914 0.045 0.000 2.255 532 V HA -0.359 3.760 4.120 -0.001 0.000 0.247 532 V C 2.588 178.743 176.094 0.102 0.000 1.051 532 V CA 2.318 64.648 62.300 0.050 0.000 1.018 532 V CB -0.899 30.929 31.823 0.009 0.000 0.641 532 V HN 0.465 nan 8.190 nan 0.000 0.445 533 K N 0.564 121.021 120.400 0.094 0.000 2.020 533 K HA -0.204 4.115 4.320 -0.001 0.000 0.212 533 K C 2.287 178.946 176.600 0.097 0.000 1.050 533 K CA 1.766 58.114 56.287 0.103 0.000 0.929 533 K CB -0.585 31.995 32.500 0.134 0.000 0.714 533 K HN 0.477 nan 8.250 nan 0.000 0.443 534 A N 0.754 123.636 122.820 0.104 0.000 2.070 534 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 534 A C 1.855 179.473 177.584 0.056 0.000 1.159 534 A CA 1.730 53.793 52.037 0.044 0.000 0.656 534 A CB -0.645 18.370 19.000 0.025 0.000 0.800 534 A HN 0.434 nan 8.150 nan 0.000 0.453 535 H N -1.113 117.961 119.070 0.007 0.000 2.482 535 H HA 0.040 4.595 4.556 -0.002 0.000 0.286 535 H C 2.117 177.444 175.328 -0.001 0.000 1.017 535 H CA 1.343 57.394 56.048 0.005 0.000 1.322 535 H CB 0.113 29.881 29.762 0.009 0.000 1.426 535 H HN 0.351 nan 8.280 nan 0.000 0.546 536 Q N 0.538 120.341 119.800 0.004 0.000 2.016 536 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 536 Q C 1.557 177.509 176.000 -0.080 0.000 0.978 536 Q CA 1.486 57.261 55.803 -0.045 0.000 0.833 536 Q CB -0.262 28.486 28.738 0.016 0.000 0.895 536 Q HN 0.599 nan 8.270 nan 0.000 0.427 537 D N 0.728 121.100 120.400 -0.047 0.000 2.218 537 D HA -0.095 4.544 4.640 -0.001 0.000 0.204 537 D C 1.630 177.879 176.300 -0.085 0.000 0.976 537 D CA 1.254 55.222 54.000 -0.054 0.000 0.853 537 D CB -0.097 40.678 40.800 -0.043 0.000 0.939 537 D HN 0.265 nan 8.370 nan 0.000 0.481 538 A N 0.593 123.344 122.820 -0.115 0.000 1.855 538 A HA -0.120 4.199 4.320 -0.001 0.000 0.213 538 A C 2.037 179.526 177.584 -0.157 0.000 1.195 538 A CA 0.784 52.745 52.037 -0.127 0.000 0.610 538 A CB -0.367 18.563 19.000 -0.117 0.000 0.837 538 A HN -0.001 nan 8.150 nan 0.000 0.444 539 Q N -0.461 119.181 119.800 -0.263 0.000 2.368 539 Q HA -0.172 4.167 4.340 -0.001 0.000 0.210 539 Q C 2.031 177.954 176.000 -0.128 0.000 0.982 539 Q CA 1.378 57.043 55.803 -0.230 0.000 0.884 539 Q CB -0.266 28.275 28.738 -0.328 0.000 0.933 539 Q HN 0.726 nan 8.270 nan 0.000 0.460 540 R N -0.318 120.118 120.500 -0.107 0.000 2.052 540 R HA -0.086 4.253 4.340 -0.001 0.000 0.224 540 R C 1.588 177.854 176.300 -0.056 0.000 1.165 540 R CA 1.110 57.170 56.100 -0.067 0.000 0.939 540 R CB -0.562 29.706 30.300 -0.053 0.000 0.834 540 R HN 0.412 nan 8.270 nan 0.000 0.435 552 D N 2.622 123.111 120.400 0.149 0.000 2.598 552 D HA 0.398 5.037 4.640 -0.001 0.000 0.231 552 D C 1.762 178.101 176.300 0.064 0.000 1.127 552 D CA 1.652 55.712 54.000 0.101 0.000 1.126 552 D CB -0.303 40.567 40.800 0.118 0.000 1.124 552 D HN 1.223 nan 8.370 nan 0.000 0.485 553 G N 0.424 109.241 108.800 0.029 0.000 2.184 553 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.264 553 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.264 553 G C 0.496 175.392 174.900 -0.006 0.000 0.975 553 G CA 0.170 45.277 45.100 0.012 0.000 0.642 553 G HN 0.440 nan 8.290 nan 0.000 0.536 554 V N 2.111 122.014 119.914 -0.020 0.000 2.408 554 V HA 0.406 4.525 4.120 -0.001 0.000 0.267 554 V C 1.022 177.018 176.094 -0.164 0.000 1.047 554 V CA -0.460 61.801 62.300 -0.065 0.000 0.937 554 V CB 1.002 32.805 31.823 -0.032 0.000 0.999 554 V HN 0.371 nan 8.190 nan 0.000 0.472 555 R N 4.625 125.049 120.500 -0.127 0.000 2.357 555 R HA 0.339 4.679 4.340 -0.001 0.000 0.296 555 R C 0.918 177.103 176.300 -0.193 0.000 1.052 555 R CA -0.755 55.259 56.100 -0.144 0.000 0.988 555 R CB 0.866 31.118 30.300 -0.081 0.000 1.025 555 R HN 0.542 nan 8.270 nan 0.000 0.469 556 M N 1.565 121.024 119.600 -0.235 0.000 2.279 556 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 556 M C 1.560 177.787 176.300 -0.121 0.000 1.062 556 M CA 1.562 56.715 55.300 -0.245 0.000 1.099 556 M CB -0.589 31.875 32.600 -0.226 0.000 1.394 556 M HN 0.599 nan 8.290 nan 0.000 0.426 557 E N 0.798 120.950 120.200 -0.080 0.000 2.077 557 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 557 E C 1.722 178.315 176.600 -0.012 0.000 0.989 557 E CA 1.399 57.782 56.400 -0.029 0.000 0.800 557 E CB 0.014 29.701 29.700 -0.022 0.000 0.746 557 E HN 0.549 nan 8.360 nan 0.000 0.452 558 E N -0.453 119.729 120.200 -0.029 0.000 2.274 558 E HA -0.127 4.222 4.350 -0.001 0.000 0.194 558 E C 1.631 178.235 176.600 0.007 0.000 0.996 558 E CA 0.426 56.822 56.400 -0.006 0.000 0.840 558 E CB 0.079 29.773 29.700 -0.011 0.000 0.772 558 E HN 0.283 nan 8.360 nan 0.000 0.491 559 I N 0.429 120.988 120.570 -0.019 0.000 2.406 559 I HA -0.153 4.016 4.170 -0.001 0.000 0.249 559 I C 2.265 178.417 176.117 0.058 0.000 1.122 559 I CA 0.801 62.112 61.300 0.019 0.000 1.431 559 I CB -0.839 37.139 38.000 -0.037 0.000 1.087 559 I HN 0.002 nan 8.210 nan 0.000 0.424 560 V N 1.030 120.976 119.914 0.053 0.000 2.343 560 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 560 V C 2.561 178.710 176.094 0.091 0.000 1.051 560 V CA 2.029 64.385 62.300 0.093 0.000 1.036 560 V CB -0.728 31.163 31.823 0.114 0.000 0.654 560 V HN 0.457 nan 8.190 nan 0.000 0.451 561 E N 0.454 120.693 120.200 0.065 0.000 2.072 561 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 561 E C 2.292 178.928 176.600 0.060 0.000 0.985 561 E CA 1.370 57.803 56.400 0.055 0.000 0.801 561 E CB -0.471 29.254 29.700 0.041 0.000 0.750 561 E HN 0.550 nan 8.360 nan 0.000 0.452 562 G N 0.619 109.458 108.800 0.065 0.000 2.459 562 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.217 562 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.217 562 G C 1.738 176.689 174.900 0.084 0.000 1.183 562 G CA 1.068 46.212 45.100 0.072 0.000 0.776 562 G HN 0.420 nan 8.290 nan 0.000 0.552 563 C N 0.478 119.838 119.300 0.100 0.000 2.453 563 C HA 0.002 4.461 4.460 -0.001 0.000 0.277 563 C C 3.253 178.321 174.990 0.130 0.000 1.262 563 C CA 1.501 60.589 59.018 0.117 0.000 1.718 563 C CB -1.091 26.728 27.740 0.131 0.000 2.031 563 C HN 0.443 nan 8.230 nan 0.000 0.480 564 T N 0.610 115.246 114.554 0.137 0.000 2.833 564 T HA -0.057 4.292 4.350 -0.001 0.000 0.269 564 T C 1.913 176.629 174.700 0.027 0.000 1.054 564 T CA 1.702 63.865 62.100 0.105 0.000 1.135 564 T CB -0.516 68.406 68.868 0.089 0.000 0.869 564 T HN 0.722 nan 8.240 nan 0.000 0.466 565 G N 0.846 109.677 108.800 0.053 0.000 2.403 565 G HA2 0.083 4.042 3.960 -0.001 0.000 0.216 565 G HA3 0.083 4.042 3.960 -0.001 0.000 0.216 565 G C 1.777 176.727 174.900 0.083 0.000 1.154 565 G CA 0.677 45.818 45.100 0.069 0.000 0.784 565 G HN 0.567 nan 8.290 nan 0.000 0.538 566 A N 0.410 123.273 122.820 0.071 0.000 1.968 566 A HA 0.238 4.557 4.320 -0.001 0.000 0.217 566 A C 2.356 179.973 177.584 0.054 0.000 1.169 566 A CA 0.772 52.845 52.037 0.059 0.000 0.638 566 A CB -0.287 18.751 19.000 0.064 0.000 0.812 566 A HN 0.331 nan 8.150 nan 0.000 0.446 567 L N -1.286 119.979 121.223 0.070 0.000 2.141 567 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 567 L C 2.594 179.467 176.870 0.006 0.000 1.094 567 L CA 1.512 56.393 54.840 0.067 0.000 0.763 567 L CB -0.559 41.587 42.059 0.146 0.000 0.908 567 L HN 0.665 nan 8.230 nan 0.000 0.437 568 H N 0.440 119.436 119.070 -0.123 0.000 2.387 568 H HA -0.143 4.412 4.556 -0.002 0.000 0.299 568 H C 2.015 177.282 175.328 -0.102 0.000 1.090 568 H CA 1.653 57.593 56.048 -0.179 0.000 1.332 568 H CB 0.182 29.808 29.762 -0.227 0.000 1.386 568 H HN 0.087 nan 8.280 nan 0.000 0.516 569 I N 0.034 120.448 120.570 -0.261 0.000 2.333 569 I HA -0.145 4.024 4.170 -0.001 0.000 0.246 569 I C 2.435 178.506 176.117 -0.077 0.000 1.106 569 I CA 0.651 61.811 61.300 -0.234 0.000 1.411 569 I CB -1.132 36.818 38.000 -0.083 0.000 1.082 569 I HN 0.303 nan 8.210 nan 0.000 0.420 570 L N 1.053 122.271 121.223 -0.007 0.000 2.191 570 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 570 L C 2.343 179.173 176.870 -0.066 0.000 1.103 570 L CA 0.915 55.782 54.840 0.044 0.000 0.769 570 L CB -0.486 41.615 42.059 0.070 0.000 0.908 570 L HN 0.178 nan 8.230 nan 0.000 0.438 571 A N -0.503 122.267 122.820 -0.083 0.000 2.252 571 A HA -0.040 4.279 4.320 -0.001 0.000 0.207 571 A C 2.138 179.636 177.584 -0.144 0.000 1.194 571 A CA 0.357 52.343 52.037 -0.085 0.000 0.809 571 A CB -0.447 18.524 19.000 -0.049 0.000 0.814 571 A HN 0.323 nan 8.150 nan 0.000 0.482 572 R N 0.015 120.379 120.500 -0.226 0.000 2.093 572 R HA -0.028 4.311 4.340 -0.001 0.000 0.224 572 R C 0.258 176.367 176.300 -0.319 0.000 1.101 572 R CA 0.733 56.680 56.100 -0.255 0.000 0.979 572 R CB -0.022 30.130 30.300 -0.248 0.000 0.877 572 R HN 0.468 nan 8.270 nan 0.000 0.441 573 D N 0.424 120.536 120.400 -0.481 0.000 2.312 573 D HA 0.041 4.681 4.640 -0.001 0.000 0.252 573 D C -1.853 174.351 176.300 -0.159 0.000 1.150 573 D CA -2.130 51.659 54.000 -0.353 0.000 0.870 573 D CB 1.699 42.264 40.800 -0.390 0.000 1.153 573 D HN -0.159 nan 8.370 nan 0.000 0.457 574 P HA -0.137 nan 4.420 nan 0.000 0.215 574 P C 1.705 178.987 177.300 -0.031 0.000 1.157 574 P CA 1.511 64.578 63.100 -0.057 0.000 0.874 574 P CB 0.124 31.798 31.700 -0.043 0.000 0.790 575 M N -1.528 118.059 119.600 -0.022 0.000 2.202 575 M HA -0.160 4.319 4.480 -0.001 0.000 0.262 575 M C 1.423 177.732 176.300 0.014 0.000 1.063 575 M CA 1.539 56.840 55.300 0.003 0.000 1.097 575 M CB -0.744 31.861 32.600 0.009 0.000 1.382 575 M HN -0.076 nan 8.290 nan 0.000 0.413 576 N N 0.051 118.749 118.700 -0.003 0.000 2.331 576 N HA -0.046 4.693 4.740 -0.001 0.000 0.180 576 N C 1.526 177.058 175.510 0.037 0.000 1.019 576 N CA 0.892 53.952 53.050 0.015 0.000 0.881 576 N CB -0.227 38.256 38.487 -0.007 0.000 0.972 576 N HN 0.356 nan 8.380 nan 0.000 0.435 577 R N -0.180 120.333 120.500 0.021 0.000 2.092 577 R HA 0.077 4.416 4.340 -0.001 0.000 0.231 577 R C 1.663 178.029 176.300 0.110 0.000 1.119 577 R CA 0.799 56.930 56.100 0.052 0.000 0.970 577 R CB -0.068 30.236 30.300 0.006 0.000 0.864 577 R HN 0.170 nan 8.270 nan 0.000 0.440 578 M N 0.724 120.378 119.600 0.090 0.000 2.067 578 M HA -0.149 4.330 4.480 -0.001 0.000 0.260 578 M C 1.944 178.344 176.300 0.167 0.000 1.069 578 M CA 1.620 57.006 55.300 0.143 0.000 1.117 578 M CB -0.997 31.658 32.600 0.091 0.000 1.334 578 M HN 0.125 nan 8.290 nan 0.000 0.407 579 E N 0.227 120.490 120.200 0.104 0.000 2.070 579 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 579 E C 2.092 178.745 176.600 0.089 0.000 1.004 579 E CA 1.341 57.789 56.400 0.080 0.000 0.805 579 E CB -0.217 29.519 29.700 0.060 0.000 0.744 579 E HN 0.488 nan 8.360 nan 0.000 0.451 580 I N 0.223 120.868 120.570 0.124 0.000 2.286 580 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 580 I C 2.334 178.550 176.117 0.164 0.000 1.115 580 I CA 0.925 62.315 61.300 0.151 0.000 1.392 580 I CB -0.239 37.887 38.000 0.210 0.000 1.065 580 I HN 0.091 nan 8.210 nan 0.000 0.418 581 F N 1.684 121.666 119.950 0.054 0.000 2.293 581 F HA -0.023 4.503 4.527 -0.001 0.000 0.297 581 F C 2.443 178.252 175.800 0.016 0.000 1.089 581 F CA 0.985 59.009 58.000 0.040 0.000 1.377 581 F CB -0.141 38.882 39.000 0.039 0.000 1.051 581 F HN -0.175 nan 8.300 nan 0.000 0.511 582 R N 0.721 121.171 120.500 -0.083 0.000 2.148 582 R HA 0.048 4.387 4.340 -0.001 0.000 0.223 582 R C 1.949 178.137 176.300 -0.187 0.000 1.088 582 R CA 0.735 56.728 56.100 -0.177 0.000 0.985 582 R CB -1.109 29.181 30.300 -0.017 0.000 0.880 582 R HN 0.382 nan 8.270 nan 0.000 0.451 583 L N 1.243 122.390 121.223 -0.127 0.000 2.675 583 L HA 0.015 4.355 4.340 -0.001 0.000 0.239 583 L C 0.187 176.957 176.870 -0.167 0.000 1.151 583 L CA -0.064 54.707 54.840 -0.114 0.000 0.905 583 L CB -0.656 41.363 42.059 -0.066 0.000 1.057 583 L HN 0.217 nan 8.230 nan 0.000 0.435 584 N N 0.543 119.094 118.700 -0.247 0.000 2.727 584 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 584 N C 1.106 176.483 175.510 -0.222 0.000 1.048 584 N CA 1.009 53.908 53.050 -0.251 0.000 0.714 584 N CB -0.817 37.553 38.487 -0.194 0.000 0.959 584 N HN 0.514 nan 8.380 nan 0.000 0.544 585 T N -3.504 110.905 114.554 -0.242 0.000 3.081 585 T HA 0.155 4.504 4.350 -0.001 0.000 0.255 585 T C 2.011 176.420 174.700 -0.484 0.000 1.113 585 T CA 0.636 62.469 62.100 -0.444 0.000 1.082 585 T CB -0.093 68.440 68.868 -0.557 0.000 0.939 585 T HN 0.366 nan 8.240 nan 0.000 0.506 586 I N 2.048 122.540 120.570 -0.130 0.000 2.163 586 I HA -0.062 4.107 4.170 -0.001 0.000 0.243 586 I C -0.562 175.561 176.117 0.010 0.000 1.085 586 I CA 1.181 62.519 61.300 0.064 0.000 1.347 586 I CB -0.987 37.114 38.000 0.168 0.000 1.044 586 I HN 0.220 nan 8.210 nan 0.000 0.408 587 P HA -0.209 nan 4.420 nan 0.000 0.216 587 P C 1.776 179.041 177.300 -0.059 0.000 1.153 587 P CA 1.267 64.350 63.100 -0.028 0.000 0.858 587 P CB -0.018 31.650 31.700 -0.053 0.000 0.789 588 L N -1.391 119.717 121.223 -0.191 0.000 1.994 588 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 588 L C 2.166 178.946 176.870 -0.150 0.000 1.071 588 L CA 2.003 56.672 54.840 -0.286 0.000 0.745 588 L CB -1.604 40.172 42.059 -0.471 0.000 0.892 588 L HN -0.166 nan 8.230 nan 0.000 0.431 589 F N -0.605 119.309 119.950 -0.060 0.000 2.120 589 F HA -0.194 4.331 4.527 -0.002 0.000 0.300 589 F C 2.568 178.368 175.800 -0.001 0.000 1.095 589 F CA 1.434 59.414 58.000 -0.034 0.000 1.249 589 F CB -1.528 37.464 39.000 -0.014 0.000 0.995 589 F HN -0.070 nan 8.300 nan 0.000 0.480 590 V N -0.299 119.740 119.914 0.209 0.000 2.490 590 V HA -0.295 3.824 4.120 -0.001 0.000 0.250 590 V C 2.214 178.449 176.094 0.234 0.000 1.061 590 V CA 1.772 64.174 62.300 0.171 0.000 1.064 590 V CB -0.790 31.126 31.823 0.156 0.000 0.670 590 V HN 0.389 nan 8.190 nan 0.000 0.461 591 Q N -0.346 119.583 119.800 0.216 0.000 2.046 591 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 591 Q C 2.288 178.492 176.000 0.340 0.000 0.975 591 Q CA 1.373 57.360 55.803 0.306 0.000 0.836 591 Q CB -0.263 28.565 28.738 0.150 0.000 0.896 591 Q HN 0.529 nan 8.270 nan 0.000 0.428 592 L N 0.700 122.043 121.223 0.200 0.000 2.261 592 L HA -0.206 4.133 4.340 -0.001 0.000 0.216 592 L C 2.137 179.086 176.870 0.132 0.000 1.114 592 L CA 0.720 55.668 54.840 0.180 0.000 0.777 592 L CB -0.495 41.654 42.059 0.149 0.000 0.910 592 L HN 0.289 nan 8.230 nan 0.000 0.440 593 L N -1.506 119.763 121.223 0.076 0.000 2.261 593 L HA -0.230 4.109 4.340 -0.001 0.000 0.216 593 L C 1.962 178.746 176.870 -0.144 0.000 1.114 593 L CA 1.212 56.005 54.840 -0.077 0.000 0.777 593 L CB -0.489 41.454 42.059 -0.194 0.000 0.910 593 L HN 0.271 nan 8.230 nan 0.000 0.440 594 Y N -0.943 119.392 120.300 0.058 0.000 2.511 594 Y HA 0.058 4.607 4.550 -0.002 0.000 0.279 594 Y C 1.828 177.757 175.900 0.049 0.000 1.157 594 Y CA -0.159 57.971 58.100 0.050 0.000 1.300 594 Y CB -0.036 38.455 38.460 0.051 0.000 1.052 594 Y HN 0.009 nan 8.280 nan 0.000 0.529 595 S N 0.259 116.061 115.700 0.170 0.000 2.563 595 S HA -0.041 4.428 4.470 -0.001 0.000 0.284 595 S C 1.616 176.265 174.600 0.082 0.000 1.331 595 S CA 0.239 58.512 58.200 0.122 0.000 1.047 595 S CB 0.631 63.895 63.200 0.106 0.000 0.859 595 S HN 0.473 nan 8.310 nan 0.000 0.514 596 S N 3.065 118.805 115.700 0.066 0.000 2.446 596 S HA 0.044 4.513 4.470 -0.001 0.000 0.225 596 S C 0.473 175.095 174.600 0.037 0.000 1.016 596 S CA 0.129 58.357 58.200 0.046 0.000 0.943 596 S CB -0.478 62.744 63.200 0.037 0.000 0.786 596 S HN 0.547 nan 8.310 nan 0.000 0.508 597 V N 3.588 123.525 119.914 0.039 0.000 2.450 597 V HA 0.110 4.229 4.120 -0.001 0.000 0.281 597 V C 1.323 177.435 176.094 0.030 0.000 1.019 597 V CA -0.021 62.298 62.300 0.032 0.000 1.062 597 V CB 0.040 31.883 31.823 0.033 0.000 0.979 597 V HN 0.451 nan 8.190 nan 0.000 0.477 598 E N 3.537 123.753 120.200 0.025 0.000 2.049 598 E HA -0.231 4.118 4.350 -0.001 0.000 0.198 598 E C 1.669 178.283 176.600 0.023 0.000 1.007 598 E CA 1.526 57.941 56.400 0.024 0.000 0.809 598 E CB -0.101 29.612 29.700 0.022 0.000 0.749 598 E HN 0.716 nan 8.360 nan 0.000 0.450 599 N N 0.720 119.434 118.700 0.024 0.000 2.192 599 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 599 N C 1.765 177.284 175.510 0.014 0.000 1.013 599 N CA 0.889 53.952 53.050 0.022 0.000 0.863 599 N CB -0.104 38.398 38.487 0.026 0.000 0.990 599 N HN 0.184 nan 8.380 nan 0.000 0.430 600 I N 1.540 122.123 120.570 0.021 0.000 2.193 600 I HA -0.186 3.983 4.170 -0.001 0.000 0.240 600 I C 2.185 178.305 176.117 0.004 0.000 1.084 600 I CA 1.003 62.317 61.300 0.024 0.000 1.365 600 I CB -1.082 36.949 38.000 0.050 0.000 1.064 600 I HN 0.192 nan 8.210 nan 0.000 0.410 601 Q N 0.053 119.859 119.800 0.010 0.000 2.152 601 Q HA -0.249 4.091 4.340 -0.001 0.000 0.206 601 Q C 2.372 178.356 176.000 -0.027 0.000 0.985 601 Q CA 1.580 57.380 55.803 -0.004 0.000 0.863 601 Q CB -0.200 28.541 28.738 0.005 0.000 0.904 601 Q HN 0.396 nan 8.270 nan 0.000 0.422 602 R N 0.444 120.936 120.500 -0.014 0.000 2.062 602 R HA -0.138 4.201 4.340 -0.001 0.000 0.231 602 R C 2.359 178.541 176.300 -0.196 0.000 1.136 602 R CA 1.745 57.845 56.100 0.000 0.000 0.948 602 R CB -0.228 30.105 30.300 0.056 0.000 0.845 602 R HN 0.304 nan 8.270 nan 0.000 0.430 603 V N -1.502 118.286 119.914 -0.210 0.000 2.626 603 V HA -0.042 4.077 4.120 -0.001 0.000 0.252 603 V C 2.230 178.084 176.094 -0.401 0.000 1.067 603 V CA 1.597 63.683 62.300 -0.357 0.000 1.081 603 V CB -0.970 30.762 31.823 -0.153 0.000 0.686 603 V HN 0.376 nan 8.190 nan 0.000 0.468 604 A N 1.048 123.718 122.820 -0.250 0.000 1.854 604 A HA 0.179 4.498 4.320 -0.001 0.000 0.214 604 A C 2.470 179.891 177.584 -0.272 0.000 1.192 604 A CA 2.018 53.917 52.037 -0.230 0.000 0.611 604 A CB -1.171 17.795 19.000 -0.056 0.000 0.832 604 A HN 0.911 nan 8.150 nan 0.000 0.442 605 A N -0.593 122.104 122.820 -0.205 0.000 2.070 605 A HA 0.175 4.494 4.320 -0.001 0.000 0.220 605 A C 2.221 179.617 177.584 -0.313 0.000 1.159 605 A CA 1.780 53.725 52.037 -0.154 0.000 0.656 605 A CB -1.076 17.912 19.000 -0.021 0.000 0.800 605 A HN 0.663 nan 8.150 nan 0.000 0.453 606 G N -0.938 107.439 108.800 -0.705 0.000 2.404 606 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.214 606 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.214 606 G C 1.569 176.159 174.900 -0.517 0.000 1.189 606 G CA 0.970 45.336 45.100 -1.224 0.000 0.789 606 G HN 0.433 nan 8.290 nan 0.000 0.533 607 V N 0.746 120.393 119.914 -0.445 0.000 2.490 607 V HA -0.048 4.071 4.120 -0.001 0.000 0.250 607 V C 2.809 178.752 176.094 -0.252 0.000 1.061 607 V CA 1.522 63.639 62.300 -0.306 0.000 1.064 607 V CB -0.237 31.175 31.823 -0.685 0.000 0.670 607 V HN 0.390 nan 8.190 nan 0.000 0.461 608 L N -0.734 120.341 121.223 -0.245 0.000 2.056 608 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 608 L C 2.774 179.622 176.870 -0.036 0.000 1.078 608 L CA 1.680 56.474 54.840 -0.078 0.000 0.749 608 L CB -0.847 41.191 42.059 -0.036 0.000 0.901 608 L HN 0.571 nan 8.230 nan 0.000 0.433 609 C N 0.865 120.129 119.300 -0.059 0.000 2.388 609 C HA -0.204 4.255 4.460 -0.001 0.000 0.277 609 C C 2.597 177.601 174.990 0.023 0.000 1.210 609 C CA 1.366 60.392 59.018 0.013 0.000 1.743 609 C CB -0.689 27.083 27.740 0.054 0.000 2.047 609 C HN 0.508 nan 8.230 nan 0.000 0.458 610 E N -0.246 119.957 120.200 0.005 0.000 2.347 610 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 610 E C 1.785 178.379 176.600 -0.009 0.000 1.008 610 E CA 0.597 56.999 56.400 0.003 0.000 0.852 610 E CB -0.162 29.529 29.700 -0.015 0.000 0.783 610 E HN 0.543 nan 8.360 nan 0.000 0.505 611 L N 0.295 121.515 121.223 -0.004 0.000 2.249 611 L HA 0.084 4.423 4.340 -0.001 0.000 0.207 611 L C 2.077 178.944 176.870 -0.006 0.000 1.090 611 L CA 1.003 55.849 54.840 0.011 0.000 0.802 611 L CB -0.267 41.827 42.059 0.058 0.000 0.947 611 L HN -0.041 nan 8.230 nan 0.000 0.453 612 A N -1.460 121.364 122.820 0.007 0.000 2.235 612 A HA -0.150 4.169 4.320 -0.001 0.000 0.208 612 A C 2.082 179.664 177.584 -0.003 0.000 1.172 612 A CA 0.701 52.740 52.037 0.004 0.000 0.786 612 A CB -0.609 18.407 19.000 0.028 0.000 0.804 612 A HN 0.550 nan 8.150 nan 0.000 0.479 613 Q N 0.124 119.921 119.800 -0.005 0.000 2.364 613 Q HA -0.133 4.206 4.340 -0.001 0.000 0.209 613 Q C -0.600 175.384 176.000 -0.028 0.000 0.977 613 Q CA 1.028 56.828 55.803 -0.005 0.000 0.885 613 Q CB 0.074 28.808 28.738 -0.007 0.000 0.941 613 Q HN 0.548 nan 8.270 nan 0.000 0.464 614 D N -0.482 119.883 120.400 -0.058 0.000 2.248 614 D HA 0.079 4.718 4.640 -0.001 0.000 0.246 614 D C -0.088 176.150 176.300 -0.104 0.000 1.027 614 D CA -0.305 53.642 54.000 -0.089 0.000 0.853 614 D CB 1.728 42.449 40.800 -0.132 0.000 1.243 614 D HN -0.008 nan 8.370 nan 0.000 0.462 615 K N 1.745 122.091 120.400 -0.090 0.000 2.057 615 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 615 K C 1.553 178.087 176.600 -0.109 0.000 1.049 615 K CA 1.415 57.655 56.287 -0.079 0.000 0.931 615 K CB 0.233 32.699 32.500 -0.056 0.000 0.714 615 K HN 0.524 nan 8.250 nan 0.000 0.440 616 E N 0.171 120.275 120.200 -0.161 0.000 2.058 616 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 616 E C 1.909 178.305 176.600 -0.340 0.000 0.997 616 E CA 1.348 57.620 56.400 -0.212 0.000 0.801 616 E CB -0.407 29.138 29.700 -0.258 0.000 0.746 616 E HN 0.350 nan 8.360 nan 0.000 0.450 617 A N 1.492 124.000 122.820 -0.520 0.000 1.968 617 A HA 0.139 4.458 4.320 -0.001 0.000 0.217 617 A C 2.464 179.989 177.584 -0.099 0.000 1.169 617 A CA 1.414 53.154 52.037 -0.495 0.000 0.638 617 A CB -0.599 18.131 19.000 -0.450 0.000 0.812 617 A HN 0.395 nan 8.150 nan 0.000 0.446 618 A N 0.372 123.140 122.820 -0.086 0.000 1.898 618 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 618 A C 1.729 179.318 177.584 0.009 0.000 1.181 618 A CA 1.888 53.914 52.037 -0.019 0.000 0.620 618 A CB -0.614 18.370 19.000 -0.027 0.000 0.819 618 A HN 0.430 nan 8.150 nan 0.000 0.442 619 D N 0.305 120.704 120.400 -0.001 0.000 2.106 619 D HA -0.127 4.512 4.640 -0.001 0.000 0.191 619 D C 2.233 178.571 176.300 0.064 0.000 0.997 619 D CA 1.813 55.828 54.000 0.025 0.000 0.834 619 D CB -0.510 40.304 40.800 0.022 0.000 0.956 619 D HN 0.423 nan 8.370 nan 0.000 0.448 620 A N 0.555 123.442 122.820 0.111 0.000 1.908 620 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 620 A C 2.381 180.040 177.584 0.124 0.000 1.181 620 A CA 1.190 53.324 52.037 0.161 0.000 0.627 620 A CB -0.789 18.409 19.000 0.329 0.000 0.818 620 A HN 0.254 nan 8.150 nan 0.000 0.445 621 I N -0.491 120.148 120.570 0.115 0.000 2.315 621 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 621 I C 2.277 178.439 176.117 0.075 0.000 1.117 621 I CA 1.748 63.107 61.300 0.099 0.000 1.404 621 I CB -0.444 37.609 38.000 0.089 0.000 1.071 621 I HN 0.347 nan 8.210 nan 0.000 0.419 622 D N 1.312 121.747 120.400 0.058 0.000 2.097 622 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 622 D C 2.170 178.499 176.300 0.050 0.000 0.984 622 D CA 1.577 55.605 54.000 0.046 0.000 0.826 622 D CB 0.086 40.903 40.800 0.030 0.000 0.973 622 D HN 0.248 nan 8.370 nan 0.000 0.460 623 A N -0.008 122.844 122.820 0.053 0.000 2.015 623 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 623 A C 2.049 179.666 177.584 0.054 0.000 1.163 623 A CA 1.466 53.532 52.037 0.049 0.000 0.646 623 A CB -0.570 18.459 19.000 0.049 0.000 0.806 623 A HN 0.205 nan 8.150 nan 0.000 0.448 624 E N -0.969 119.270 120.200 0.065 0.000 2.511 624 E HA 0.205 4.554 4.350 -0.001 0.000 0.196 624 E C 1.123 177.773 176.600 0.083 0.000 1.066 624 E CA 0.761 57.203 56.400 0.070 0.000 0.871 624 E CB -0.369 29.379 29.700 0.080 0.000 0.863 624 E HN 0.741 nan 8.360 nan 0.000 0.520 625 G N -0.769 108.078 108.800 0.079 0.000 2.132 625 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.234 625 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.234 625 G C 0.967 175.932 174.900 0.109 0.000 0.989 625 G CA 0.474 45.629 45.100 0.091 0.000 0.676 625 G HN 0.462 nan 8.290 nan 0.000 0.522 626 A N 0.515 123.389 122.820 0.091 0.000 2.119 626 A HA 0.305 4.624 4.320 -0.001 0.000 0.217 626 A C 2.591 180.199 177.584 0.040 0.000 1.153 626 A CA 2.160 54.238 52.037 0.068 0.000 0.692 626 A CB -0.602 18.438 19.000 0.067 0.000 0.799 626 A HN 1.692 nan 8.150 nan 0.000 0.458 627 S N 0.275 116.003 115.700 0.048 0.000 2.420 627 S HA -0.095 4.374 4.470 -0.001 0.000 0.237 627 S C 1.905 176.526 174.600 0.034 0.000 1.023 627 S CA 1.379 59.602 58.200 0.038 0.000 0.991 627 S CB -0.511 62.712 63.200 0.037 0.000 0.792 627 S HN 0.819 nan 8.310 nan 0.000 0.488 628 A N 2.753 125.597 122.820 0.040 0.000 1.871 628 A HA 0.298 4.617 4.320 -0.001 0.000 0.211 628 A C 0.078 177.661 177.584 -0.001 0.000 1.207 628 A CA 0.663 52.722 52.037 0.038 0.000 0.620 628 A CB -1.479 17.563 19.000 0.070 0.000 0.860 628 A HN 0.507 nan 8.150 nan 0.000 0.450 629 P HA -0.128 nan 4.420 nan 0.000 0.216 629 P C 1.361 178.592 177.300 -0.114 0.000 1.150 629 P CA 0.880 63.858 63.100 -0.204 0.000 0.837 629 P CB -0.186 31.205 31.700 -0.514 0.000 0.786 630 L N -2.058 119.128 121.223 -0.061 0.000 2.083 630 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 630 L C 2.565 179.445 176.870 0.016 0.000 1.083 630 L CA 1.314 56.144 54.840 -0.016 0.000 0.752 630 L CB -1.001 41.063 42.059 0.008 0.000 0.899 630 L HN -0.026 nan 8.230 nan 0.000 0.433 631 M N -0.461 119.155 119.600 0.027 0.000 2.149 631 M HA -0.171 4.308 4.480 -0.001 0.000 0.261 631 M C 1.938 178.298 176.300 0.100 0.000 1.064 631 M CA 1.595 56.930 55.300 0.059 0.000 1.102 631 M CB -0.721 31.913 32.600 0.055 0.000 1.369 631 M HN 0.261 nan 8.290 nan 0.000 0.408 632 E N -0.401 119.836 120.200 0.062 0.000 2.478 632 E HA 0.107 4.456 4.350 -0.001 0.000 0.194 632 E C 1.950 178.603 176.600 0.089 0.000 1.045 632 E CA 0.315 56.759 56.400 0.074 0.000 0.868 632 E CB 0.114 29.817 29.700 0.005 0.000 0.885 632 E HN 0.509 nan 8.360 nan 0.000 0.505 633 L N 0.107 121.365 121.223 0.060 0.000 2.477 633 L HA 0.092 4.431 4.340 -0.001 0.000 0.220 633 L C 2.077 178.983 176.870 0.060 0.000 1.106 633 L CA 0.112 54.980 54.840 0.047 0.000 0.851 633 L CB -0.146 41.919 42.059 0.009 0.000 0.994 633 L HN 0.070 nan 8.230 nan 0.000 0.462 634 L N -0.560 120.702 121.223 0.066 0.000 2.349 634 L HA -0.218 4.122 4.340 -0.001 0.000 0.220 634 L C 1.927 178.747 176.870 -0.084 0.000 1.130 634 L CA 0.937 55.767 54.840 -0.016 0.000 0.791 634 L CB -0.649 41.383 42.059 -0.045 0.000 0.918 634 L HN 0.428 nan 8.230 nan 0.000 0.444 635 H N -1.340 117.733 119.070 0.005 0.000 2.526 635 H HA 0.138 4.693 4.556 -0.002 0.000 0.274 635 H C 1.060 176.392 175.328 0.007 0.000 0.999 635 H CA -0.143 55.912 56.048 0.012 0.000 1.157 635 H CB 0.569 30.343 29.762 0.019 0.000 1.407 635 H HN 0.130 nan 8.280 nan 0.000 0.568 636 S N 1.640 117.392 115.700 0.085 0.000 2.525 636 S HA -0.018 4.451 4.470 -0.001 0.000 0.285 636 S C 1.705 176.323 174.600 0.029 0.000 1.283 636 S CA -0.653 57.578 58.200 0.050 0.000 1.072 636 S CB 0.613 63.830 63.200 0.028 0.000 0.867 636 S HN 0.624 nan 8.310 nan 0.000 0.492 637 R N 3.942 124.461 120.500 0.032 0.000 2.189 637 R HA -0.021 4.318 4.340 -0.001 0.000 0.223 637 R C 0.568 176.872 176.300 0.006 0.000 1.092 637 R CA 0.826 56.938 56.100 0.021 0.000 0.989 637 R CB -0.383 29.931 30.300 0.024 0.000 0.876 637 R HN 0.508 nan 8.270 nan 0.000 0.457 638 N N 2.123 120.826 118.700 0.005 0.000 2.508 638 N HA -0.019 4.720 4.740 -0.001 0.000 0.253 638 N C -0.267 175.226 175.510 -0.027 0.000 1.145 638 N CA 0.108 53.155 53.050 -0.005 0.000 0.973 638 N CB 0.926 39.417 38.487 0.007 0.000 1.305 638 N HN 0.320 nan 8.380 nan 0.000 0.506 639 E N 1.677 121.852 120.200 -0.042 0.000 2.219 639 E HA -0.167 4.182 4.350 -0.001 0.000 0.198 639 E C 1.681 178.204 176.600 -0.127 0.000 0.998 639 E CA 1.193 57.549 56.400 -0.074 0.000 0.818 639 E CB 0.101 29.760 29.700 -0.069 0.000 0.741 639 E HN 0.740 nan 8.360 nan 0.000 0.477 640 G N 0.515 109.240 108.800 -0.124 0.000 2.511 640 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.216 640 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.216 640 G C 1.660 176.383 174.900 -0.294 0.000 1.218 640 G CA 1.458 46.427 45.100 -0.218 0.000 0.788 640 G HN 0.365 nan 8.290 nan 0.000 0.560 641 T N 0.796 115.320 114.554 -0.050 0.000 2.788 641 T HA 0.068 4.417 4.350 -0.001 0.000 0.268 641 T C 2.635 177.338 174.700 0.004 0.000 1.044 641 T CA 2.111 64.261 62.100 0.083 0.000 1.139 641 T CB -0.533 68.386 68.868 0.085 0.000 0.867 641 T HN 0.394 nan 8.240 nan 0.000 0.454 642 A N 0.941 123.734 122.820 -0.045 0.000 1.903 642 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 642 A C 2.650 180.186 177.584 -0.080 0.000 1.191 642 A CA 2.740 54.748 52.037 -0.049 0.000 0.638 642 A CB -1.567 17.397 19.000 -0.059 0.000 0.823 642 A HN 0.620 nan 8.150 nan 0.000 0.451 643 T N -1.120 113.332 114.554 -0.171 0.000 2.708 643 T HA -0.162 4.187 4.350 -0.001 0.000 0.266 643 T C 1.767 176.385 174.700 -0.137 0.000 1.037 643 T CA 1.784 63.758 62.100 -0.209 0.000 1.146 643 T CB -0.498 68.166 68.868 -0.340 0.000 0.865 643 T HN 0.520 nan 8.240 nan 0.000 0.435 644 Y N 1.785 122.057 120.300 -0.046 0.000 2.128 644 Y HA -0.026 4.523 4.550 -0.001 0.000 0.284 644 Y C 2.792 178.670 175.900 -0.036 0.000 1.154 644 Y CA 0.207 58.278 58.100 -0.049 0.000 1.149 644 Y CB -1.355 37.051 38.460 -0.089 0.000 0.976 644 Y HN 0.207 nan 8.280 nan 0.000 0.505 645 A N 0.251 123.141 122.820 0.116 0.000 1.873 645 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 645 A C 2.550 180.167 177.584 0.055 0.000 1.193 645 A CA 2.503 54.576 52.037 0.061 0.000 0.629 645 A CB -1.405 17.615 19.000 0.033 0.000 0.826 645 A HN 0.420 nan 8.150 nan 0.000 0.447 646 A N -0.291 122.549 122.820 0.032 0.000 1.883 646 A HA 0.087 4.406 4.320 -0.001 0.000 0.217 646 A C 2.553 180.182 177.584 0.074 0.000 1.186 646 A CA 2.530 54.587 52.037 0.034 0.000 0.624 646 A CB -1.183 17.806 19.000 -0.018 0.000 0.822 646 A HN 1.219 nan 8.150 nan 0.000 0.444 647 A N -0.533 122.323 122.820 0.059 0.000 1.908 647 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 647 A C 2.253 179.922 177.584 0.142 0.000 1.181 647 A CA 2.008 54.099 52.037 0.089 0.000 0.627 647 A CB -1.068 17.985 19.000 0.088 0.000 0.818 647 A HN 0.469 nan 8.150 nan 0.000 0.445 648 V N 0.149 120.129 119.914 0.111 0.000 2.255 648 V HA -0.291 3.828 4.120 -0.001 0.000 0.247 648 V C 2.549 178.701 176.094 0.096 0.000 1.051 648 V CA 2.054 64.408 62.300 0.089 0.000 1.018 648 V CB -0.958 30.900 31.823 0.060 0.000 0.641 648 V HN 0.578 nan 8.190 nan 0.000 0.445 649 L N -1.280 120.002 121.223 0.099 0.000 2.127 649 L HA -0.215 4.124 4.340 -0.001 0.000 0.211 649 L C 2.336 179.271 176.870 0.108 0.000 1.089 649 L CA 1.746 56.639 54.840 0.088 0.000 0.757 649 L CB -0.544 41.566 42.059 0.085 0.000 0.899 649 L HN 0.331 nan 8.230 nan 0.000 0.434 650 F N 0.216 120.169 119.950 0.006 0.000 2.558 650 F HA -0.063 4.463 4.527 -0.002 0.000 0.298 650 F C 2.375 178.176 175.800 0.002 0.000 1.119 650 F CA 0.947 58.949 58.000 0.003 0.000 1.451 650 F CB 0.011 39.011 39.000 0.001 0.000 1.091 650 F HN -0.109 nan 8.300 nan 0.000 0.563 651 R N -0.147 120.421 120.500 0.113 0.000 2.254 651 R HA 0.194 4.533 4.340 -0.001 0.000 0.193 651 R C 2.025 178.318 176.300 -0.012 0.000 0.929 651 R CA 0.963 57.092 56.100 0.049 0.000 1.038 651 R CB -0.096 30.256 30.300 0.087 0.000 1.009 651 R HN 0.406 nan 8.270 nan 0.000 0.512 652 I N -2.308 118.258 120.570 -0.006 0.000 3.564 652 I HA 0.145 4.314 4.170 -0.001 0.000 0.294 652 I C 1.029 177.121 176.117 -0.042 0.000 1.289 652 I CA 0.740 62.032 61.300 -0.014 0.000 1.325 652 I CB 0.463 38.469 38.000 0.010 0.000 1.039 652 I HN -0.140 nan 8.210 nan 0.000 0.474 653 S N 0.713 116.360 115.700 -0.088 0.000 2.661 653 S HA 0.205 4.674 4.470 -0.001 0.000 0.245 653 S C 1.062 175.564 174.600 -0.163 0.000 1.117 653 S CA -0.481 57.650 58.200 -0.116 0.000 1.091 653 S CB -0.133 62.988 63.200 -0.133 0.000 0.887 653 S HN 0.543 nan 8.310 nan 0.000 0.491 654 E N 0.811 120.934 120.200 -0.128 0.000 2.021 654 E HA -0.022 4.327 4.350 -0.001 0.000 0.189 654 E C 0.441 176.987 176.600 -0.091 0.000 0.980 654 E CA 1.089 57.413 56.400 -0.126 0.000 0.803 654 E CB 0.181 29.832 29.700 -0.081 0.000 0.766 654 E HN 0.338 nan 8.360 nan 0.000 0.449 655 D N -0.076 120.286 120.400 -0.064 0.000 2.431 655 D HA 0.076 4.715 4.640 -0.001 0.000 0.213 655 D C -0.139 176.136 176.300 -0.042 0.000 1.130 655 D CA -0.008 53.963 54.000 -0.048 0.000 0.834 655 D CB 0.435 41.214 40.800 -0.035 0.000 0.985 655 D HN 0.040 nan 8.370 nan 0.000 0.504 663 R N 1.358 121.859 120.500 0.001 0.000 2.159 663 R HA -0.059 4.280 4.340 -0.001 0.000 0.237 663 R C 1.936 178.249 176.300 0.021 0.000 1.131 663 R CA 1.403 57.510 56.100 0.011 0.000 0.982 663 R CB -0.218 30.088 30.300 0.009 0.000 0.868 663 R HN -0.026 nan 8.270 nan 0.000 0.453 664 V N -0.234 119.694 119.914 0.023 0.000 2.488 664 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 664 V C 2.342 178.471 176.094 0.058 0.000 1.046 664 V CA 1.846 64.171 62.300 0.041 0.000 1.053 664 V CB -0.137 31.713 31.823 0.045 0.000 0.679 664 V HN 0.327 nan 8.190 nan 0.000 0.458 665 S N -0.112 115.628 115.700 0.067 0.000 2.368 665 S HA -0.172 4.297 4.470 -0.001 0.000 0.225 665 S C 2.031 176.658 174.600 0.044 0.000 1.030 665 S CA 1.873 60.122 58.200 0.082 0.000 0.999 665 S CB -0.191 63.067 63.200 0.097 0.000 0.844 665 S HN 0.318 nan 8.310 nan 0.000 0.459 666 V N 2.499 122.432 119.914 0.032 0.000 2.332 666 V HA -0.125 3.994 4.120 -0.001 0.000 0.248 666 V C 2.662 178.768 176.094 0.019 0.000 1.055 666 V CA 1.982 64.294 62.300 0.021 0.000 1.038 666 V CB -0.677 31.157 31.823 0.019 0.000 0.651 666 V HN 0.504 nan 8.190 nan 0.000 0.450 667 E N -0.390 119.826 120.200 0.027 0.000 2.160 667 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 667 E C 2.043 178.648 176.600 0.008 0.000 0.991 667 E CA 1.139 57.557 56.400 0.030 0.000 0.810 667 E CB -0.213 29.513 29.700 0.044 0.000 0.742 667 E HN 0.468 nan 8.360 nan 0.000 0.466 668 L N 0.722 121.946 121.223 0.002 0.000 2.202 668 L HA -0.059 4.280 4.340 -0.001 0.000 0.205 668 L C 2.404 179.251 176.870 -0.040 0.000 1.083 668 L CA 1.765 56.589 54.840 -0.027 0.000 0.790 668 L CB -0.610 41.442 42.059 -0.012 0.000 0.942 668 L HN 0.163 nan 8.230 nan 0.000 0.452 669 T N -3.297 111.244 114.554 -0.022 0.000 2.781 669 T HA -0.034 4.316 4.350 -0.001 0.000 0.252 669 T C 1.227 175.906 174.700 -0.036 0.000 1.039 669 T CA 0.440 62.521 62.100 -0.031 0.000 1.147 669 T CB -0.634 68.223 68.868 -0.017 0.000 0.865 669 T HN 0.119 nan 8.240 nan 0.000 0.423 670 N N 2.682 121.369 118.700 -0.020 0.000 3.059 670 N HA 0.267 5.006 4.740 -0.001 0.000 0.321 670 N C -1.172 174.328 175.510 -0.017 0.000 1.224 670 N CA 0.120 53.159 53.050 -0.019 0.000 1.197 670 N CB -0.522 37.963 38.487 -0.003 0.000 1.453 670 N HN 0.384 nan 8.380 nan 0.000 0.544 671 S N 0.365 116.039 115.700 -0.043 0.000 2.720 671 S HA 0.283 4.752 4.470 -0.001 0.000 0.278 671 S C 1.178 175.708 174.600 -0.116 0.000 1.172 671 S CA -0.634 57.544 58.200 -0.037 0.000 1.019 671 S CB 1.621 64.804 63.200 -0.029 0.000 1.049 671 S HN 0.263 nan 8.310 nan 0.000 0.483 672 L N 1.873 122.991 121.223 -0.174 0.000 2.056 672 L HA 0.092 4.431 4.340 -0.001 0.000 0.207 672 L C -0.320 176.108 176.870 -0.737 0.000 1.078 672 L CA 1.682 56.210 54.840 -0.520 0.000 0.749 672 L CB 0.030 41.670 42.059 -0.698 0.000 0.901 672 L HN 0.534 nan 8.230 nan 0.000 0.433 673 F N 0.000 119.958 119.950 0.013 0.000 2.286 673 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 673 F CA 0.000 58.011 58.000 0.018 0.000 1.383 673 F CB 0.000 39.022 39.000 0.037 0.000 1.145 673 F HN 0.000 nan 8.300 nan 0.000 0.574