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 1sze_1_A DATA FIRST_RESID 100 DATA SEQUENCE GETKEDIARK EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAYYSSGAN DATA SEQUENCE DEVTHRENHN AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATAL DATA SEQUENCE CKLGNPLEGE KDVARGCGQG VTKVPQMIST AASCSPEEII EAAPSDKQIQ DATA SEQUENCE WYQLYVNSDR KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKFXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXAS RALSKFIDPS LTWKDIEELK KKTKLPIVIK DATA SEQUENCE GVQRTEDVIK AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN DATA SEQUENCE LKDKLEVFVD GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK DATA SEQUENCE AIEILRDEIE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV DATA SEQUENCE YEGPTLTEFE DA 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 100 G HA2 0.000 nan 3.960 nan 0.000 0.244 100 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 100 G C 0.000 174.894 174.900 -0.010 0.000 0.946 100 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 101 E N 0.517 120.709 120.200 -0.013 0.000 2.212 101 E HA 0.793 5.142 4.350 -0.000 0.000 0.270 101 E C -0.050 176.544 176.600 -0.010 0.000 0.956 101 E CA -0.404 55.989 56.400 -0.012 0.000 0.825 101 E CB 1.461 31.151 29.700 -0.016 0.000 1.167 101 E HN 0.060 nan 8.360 nan 0.000 0.400 102 T N 2.150 116.697 114.554 -0.011 0.000 3.734 102 T HA 0.160 4.510 4.350 -0.000 0.000 0.238 102 T C -0.638 174.056 174.700 -0.010 0.000 1.205 102 T CA -0.612 61.483 62.100 -0.008 0.000 1.606 102 T CB -0.349 68.516 68.868 -0.005 0.000 0.832 102 T HN 0.640 nan 8.240 nan 0.000 0.655 103 K N 0.346 120.739 120.400 -0.011 0.000 2.971 103 K HA -0.344 3.976 4.320 -0.000 0.000 0.247 103 K C 0.621 177.212 176.600 -0.015 0.000 0.885 103 K CA 1.644 57.923 56.287 -0.013 0.000 0.651 103 K CB -1.701 30.793 32.500 -0.010 0.000 1.321 103 K HN 0.617 nan 8.250 nan 0.000 0.484 104 E N 0.845 121.035 120.200 -0.018 0.000 2.170 104 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 104 E C 0.904 177.487 176.600 -0.029 0.000 0.981 104 E CA 0.834 57.221 56.400 -0.023 0.000 0.830 104 E CB -0.034 29.651 29.700 -0.025 0.000 0.775 104 E HN 0.497 nan 8.360 nan 0.000 0.470 105 D N 1.209 121.593 120.400 -0.026 0.000 2.360 105 D HA -0.250 4.390 4.640 -0.000 0.000 0.192 105 D C 1.686 177.969 176.300 -0.029 0.000 1.025 105 D CA 1.319 55.302 54.000 -0.027 0.000 0.903 105 D CB -0.184 40.602 40.800 -0.022 0.000 0.900 105 D HN 0.264 nan 8.370 nan 0.000 0.452 106 I N 0.303 120.858 120.570 -0.025 0.000 2.235 106 I HA -0.149 4.021 4.170 -0.000 0.000 0.241 106 I C 2.573 178.672 176.117 -0.030 0.000 1.085 106 I CA 0.929 62.214 61.300 -0.025 0.000 1.378 106 I CB -0.909 37.079 38.000 -0.019 0.000 1.076 106 I HN 0.006 nan 8.210 nan 0.000 0.415 107 A N 1.670 124.471 122.820 -0.032 0.000 1.915 107 A HA -0.256 4.063 4.320 -0.000 0.000 0.220 107 A C 2.483 180.036 177.584 -0.051 0.000 1.198 107 A CA 1.841 53.855 52.037 -0.038 0.000 0.647 107 A CB -0.661 18.317 19.000 -0.038 0.000 0.825 107 A HN 0.337 nan 8.150 nan 0.000 0.456 108 R N -0.888 119.578 120.500 -0.056 0.000 2.075 108 R HA -0.116 4.223 4.340 -0.000 0.000 0.230 108 R C 2.135 178.397 176.300 -0.063 0.000 1.140 108 R CA 1.675 57.733 56.100 -0.070 0.000 0.928 108 R CB -0.679 29.581 30.300 -0.067 0.000 0.834 108 R HN 0.370 nan 8.270 nan 0.000 0.429 109 K N 1.258 121.629 120.400 -0.049 0.000 2.228 109 K HA -0.172 4.147 4.320 -0.000 0.000 0.205 109 K C 1.814 178.389 176.600 -0.042 0.000 1.045 109 K CA 1.171 57.433 56.287 -0.043 0.000 0.931 109 K CB -0.220 32.261 32.500 -0.032 0.000 0.727 109 K HN 0.230 nan 8.250 nan 0.000 0.458 110 E N -0.052 120.124 120.200 -0.041 0.000 2.418 110 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 110 E C 1.202 177.776 176.600 -0.043 0.000 1.026 110 E CA 0.767 57.145 56.400 -0.036 0.000 0.862 110 E CB 0.281 29.962 29.700 -0.032 0.000 0.799 110 E HN 0.474 nan 8.360 nan 0.000 0.518 111 Q N -0.674 119.091 119.800 -0.059 0.000 2.481 111 Q HA 0.027 4.367 4.340 -0.000 0.000 0.219 111 Q C 2.357 178.310 176.000 -0.079 0.000 0.920 111 Q CA -0.046 55.715 55.803 -0.071 0.000 0.915 111 Q CB -0.071 28.608 28.738 -0.098 0.000 1.057 111 Q HN 0.118 nan 8.270 nan 0.000 0.581 112 L N 2.090 123.258 121.223 -0.091 0.000 2.054 112 L HA -0.235 4.104 4.340 -0.000 0.000 0.220 112 L C 1.240 178.067 176.870 -0.071 0.000 1.081 112 L CA 1.397 56.178 54.840 -0.099 0.000 0.780 112 L CB -0.897 41.112 42.059 -0.085 0.000 0.893 112 L HN 0.129 nan 8.230 nan 0.000 0.438 113 K N 0.305 120.674 120.400 -0.051 0.000 2.367 113 K HA -0.047 4.273 4.320 -0.000 0.000 0.275 113 K C 0.967 177.553 176.600 -0.024 0.000 1.125 113 K CA 0.959 57.227 56.287 -0.032 0.000 1.133 113 K CB 0.303 32.787 32.500 -0.026 0.000 0.875 113 K HN 0.128 nan 8.250 nan 0.000 0.467 114 S N 2.273 117.965 115.700 -0.014 0.000 2.853 114 S HA -0.196 4.273 4.470 -0.000 0.000 0.317 114 S C 0.701 175.304 174.600 0.005 0.000 1.307 114 S CA 1.389 59.591 58.200 0.002 0.000 1.101 114 S CB -0.620 62.583 63.200 0.004 0.000 1.242 114 S HN 0.645 nan 8.310 nan 0.000 0.741 115 L N 0.227 121.445 121.223 -0.008 0.000 2.298 115 L HA 0.401 4.741 4.340 -0.000 0.000 0.209 115 L C 0.840 177.711 176.870 0.001 0.000 1.084 115 L CA 0.761 55.597 54.840 -0.007 0.000 0.816 115 L CB -0.236 41.810 42.059 -0.022 0.000 0.967 115 L HN 0.338 nan 8.230 nan 0.000 0.460 116 L N 2.243 123.457 121.223 -0.014 0.000 2.578 116 L HA 0.025 4.365 4.340 -0.000 0.000 0.279 116 L C -1.801 175.123 176.870 0.091 0.000 1.227 116 L CA -1.133 53.712 54.840 0.009 0.000 0.900 116 L CB 0.083 42.085 42.059 -0.095 0.000 1.144 116 L HN 0.041 nan 8.230 nan 0.000 0.496 117 P HA 0.325 nan 4.420 nan 0.000 0.278 117 P C -2.570 174.831 177.300 0.169 0.000 1.266 117 P CA -1.856 61.314 63.100 0.117 0.000 0.807 117 P CB -0.188 31.562 31.700 0.083 0.000 1.094 118 P HA 0.007 nan 4.420 nan 0.000 0.267 118 P C 0.995 178.300 177.300 0.008 0.000 1.200 118 P CA -0.150 62.998 63.100 0.080 0.000 0.772 118 P CB 0.208 31.929 31.700 0.035 0.000 0.855 119 L N 2.580 123.775 121.223 -0.047 0.000 2.079 119 L HA -0.172 4.167 4.340 -0.000 0.000 0.210 119 L C 1.268 178.033 176.870 -0.174 0.000 1.081 119 L CA 1.964 56.647 54.840 -0.263 0.000 0.752 119 L CB -1.045 40.895 42.059 -0.199 0.000 0.896 119 L HN 0.340 nan 8.230 nan 0.000 0.433 120 D N -0.945 119.405 120.400 -0.083 0.000 2.378 120 D HA -0.093 4.547 4.640 -0.000 0.000 0.227 120 D C 1.133 177.391 176.300 -0.070 0.000 1.012 120 D CA 0.392 54.353 54.000 -0.064 0.000 0.905 120 D CB -0.115 40.666 40.800 -0.031 0.000 0.895 120 D HN 0.392 nan 8.370 nan 0.000 0.532 121 N N 0.102 118.752 118.700 -0.083 0.000 2.299 121 N HA 0.024 4.764 4.740 -0.000 0.000 0.187 121 N C 0.256 175.699 175.510 -0.112 0.000 1.099 121 N CA -0.075 52.933 53.050 -0.071 0.000 0.867 121 N CB 0.579 39.045 38.487 -0.034 0.000 0.974 121 N HN 0.090 nan 8.380 nan 0.000 0.477 122 I N 1.729 122.183 120.570 -0.194 0.000 2.505 122 I HA 0.012 4.182 4.170 -0.000 0.000 0.287 122 I C 1.548 177.539 176.117 -0.211 0.000 1.104 122 I CA 0.137 61.258 61.300 -0.300 0.000 1.387 122 I CB -0.033 37.623 38.000 -0.574 0.000 1.404 122 I HN 0.026 nan 8.210 nan 0.000 0.528 123 I N 5.859 126.329 120.570 -0.168 0.000 2.628 123 I HA -0.034 4.136 4.170 -0.000 0.000 0.255 123 I C 1.071 177.123 176.117 -0.108 0.000 1.119 123 I CA 0.593 61.829 61.300 -0.106 0.000 1.448 123 I CB 0.140 38.100 38.000 -0.066 0.000 1.133 123 I HN 0.717 nan 8.210 nan 0.000 0.438 124 N N -1.075 117.544 118.700 -0.134 0.000 2.774 124 N HA 0.159 4.899 4.740 -0.000 0.000 0.264 124 N C -0.008 175.404 175.510 -0.163 0.000 1.415 124 N CA -0.689 52.293 53.050 -0.114 0.000 0.815 124 N CB 2.040 40.511 38.487 -0.027 0.000 1.514 124 N HN -0.244 nan 8.380 nan 0.000 0.523 125 L N 0.414 121.529 121.223 -0.179 0.000 2.201 125 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 125 L C 1.827 178.643 176.870 -0.090 0.000 1.105 125 L CA 1.341 56.103 54.840 -0.130 0.000 0.775 125 L CB -1.309 40.570 42.059 -0.300 0.000 0.913 125 L HN 0.592 nan 8.230 nan 0.000 0.440 126 Y N -0.635 119.682 120.300 0.028 0.000 2.403 126 Y HA -0.219 4.331 4.550 -0.001 0.000 0.291 126 Y C 2.231 178.157 175.900 0.045 0.000 1.143 126 Y CA 0.576 58.702 58.100 0.043 0.000 1.257 126 Y CB -0.217 38.245 38.460 0.004 0.000 0.984 126 Y HN 0.251 nan 8.280 nan 0.000 0.550 127 D N -0.223 120.224 120.400 0.078 0.000 2.103 127 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 127 D C 1.814 178.147 176.300 0.054 0.000 0.978 127 D CA 1.207 55.214 54.000 0.012 0.000 0.829 127 D CB -0.552 40.148 40.800 -0.167 0.000 0.981 127 D HN 0.233 nan 8.370 nan 0.000 0.464 128 F N 1.443 121.475 119.950 0.137 0.000 2.202 128 F HA -0.104 4.423 4.527 -0.001 0.000 0.301 128 F C 2.382 178.265 175.800 0.138 0.000 1.082 128 F CA 0.826 58.929 58.000 0.173 0.000 1.313 128 F CB -0.406 38.693 39.000 0.166 0.000 1.024 128 F HN 0.026 nan 8.300 nan 0.000 0.495 129 E N -1.175 119.209 120.200 0.306 0.000 2.216 129 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 129 E C 2.093 178.676 176.600 -0.028 0.000 0.988 129 E CA 0.614 57.042 56.400 0.047 0.000 0.834 129 E CB -0.190 29.634 29.700 0.208 0.000 0.772 129 E HN 0.594 nan 8.360 nan 0.000 0.479 130 Y N 0.219 120.496 120.300 -0.038 0.000 2.153 130 Y HA -0.174 4.376 4.550 -0.001 0.000 0.289 130 Y C 1.928 177.736 175.900 -0.154 0.000 1.119 130 Y CA 0.549 58.586 58.100 -0.107 0.000 1.116 130 Y CB -0.086 38.343 38.460 -0.051 0.000 1.004 130 Y HN 0.007 nan 8.280 nan 0.000 0.501 131 L N 1.164 122.213 121.223 -0.290 0.000 2.051 131 L HA -0.283 4.056 4.340 -0.000 0.000 0.214 131 L C 2.738 179.430 176.870 -0.297 0.000 1.076 131 L CA 2.068 56.713 54.840 -0.325 0.000 0.758 131 L CB -1.981 40.074 42.059 -0.006 0.000 0.890 131 L HN 0.499 nan 8.230 nan 0.000 0.433 132 A N -0.753 121.962 122.820 -0.174 0.000 1.902 132 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 132 A C 2.509 179.816 177.584 -0.461 0.000 1.181 132 A CA 2.005 53.957 52.037 -0.141 0.000 0.623 132 A CB -0.791 18.247 19.000 0.063 0.000 0.818 132 A HN 0.569 nan 8.150 nan 0.000 0.443 133 S N -1.129 114.052 115.700 -0.864 0.000 2.399 133 S HA -0.218 4.252 4.470 -0.000 0.000 0.231 133 S C 1.862 175.896 174.600 -0.942 0.000 1.022 133 S CA 1.669 58.931 58.200 -1.563 0.000 0.983 133 S CB -0.321 62.044 63.200 -1.393 0.000 0.803 133 S HN 0.455 nan 8.310 nan 0.000 0.480 134 Q N 0.983 120.387 119.800 -0.660 0.000 2.331 134 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 134 Q C 2.248 178.055 176.000 -0.322 0.000 0.944 134 Q CA 1.640 57.166 55.803 -0.462 0.000 0.892 134 Q CB -0.222 28.231 28.738 -0.475 0.000 0.983 134 Q HN 0.923 nan 8.270 nan 0.000 0.482 135 T N -3.741 110.640 114.554 -0.289 0.000 2.978 135 T HA 0.289 4.639 4.350 -0.000 0.000 0.248 135 T C 0.711 175.348 174.700 -0.105 0.000 1.018 135 T CA -0.267 61.729 62.100 -0.173 0.000 1.026 135 T CB -0.019 68.758 68.868 -0.152 0.000 1.032 135 T HN -0.022 nan 8.240 nan 0.000 0.485 136 L N 3.622 124.800 121.223 -0.075 0.000 2.483 136 L HA 0.270 4.610 4.340 -0.000 0.000 0.275 136 L C 1.142 178.012 176.870 -0.001 0.000 1.220 136 L CA -0.355 54.496 54.840 0.018 0.000 0.833 136 L CB 0.182 42.335 42.059 0.156 0.000 1.102 136 L HN 0.335 nan 8.230 nan 0.000 0.490 137 T N -0.835 113.723 114.554 0.007 0.000 2.902 137 T HA 0.041 4.391 4.350 -0.000 0.000 0.301 137 T C 1.121 175.845 174.700 0.039 0.000 1.012 137 T CA -0.476 61.624 62.100 0.001 0.000 1.151 137 T CB 0.551 69.410 68.868 -0.015 0.000 0.946 137 T HN 0.634 nan 8.240 nan 0.000 0.542 138 K N 1.886 122.309 120.400 0.039 0.000 2.192 138 K HA -0.352 3.968 4.320 -0.000 0.000 0.214 138 K C 2.217 178.880 176.600 0.104 0.000 1.046 138 K CA 2.727 59.063 56.287 0.082 0.000 0.937 138 K CB -0.149 32.376 32.500 0.041 0.000 0.734 138 K HN 0.963 nan 8.250 nan 0.000 0.473 139 Q N -1.194 118.627 119.800 0.035 0.000 2.378 139 Q HA 0.169 4.508 4.340 -0.000 0.000 0.216 139 Q C 1.651 177.631 176.000 -0.032 0.000 0.892 139 Q CA 0.792 56.596 55.803 0.002 0.000 0.931 139 Q CB 0.234 28.948 28.738 -0.041 0.000 1.086 139 Q HN 0.199 nan 8.270 nan 0.000 0.528 140 A N 1.102 123.880 122.820 -0.071 0.000 1.902 140 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 140 A C 1.887 179.348 177.584 -0.206 0.000 1.181 140 A CA 1.218 53.102 52.037 -0.256 0.000 0.623 140 A CB -1.439 17.423 19.000 -0.230 0.000 0.818 140 A HN 0.764 nan 8.150 nan 0.000 0.443 141 W N 0.632 121.852 121.300 -0.133 0.000 2.381 141 W HA -0.119 4.541 4.660 -0.000 0.000 0.301 141 W C 2.159 178.708 176.519 0.050 0.000 1.205 141 W CA 1.506 58.847 57.345 -0.006 0.000 1.285 141 W CB -0.104 29.354 29.460 -0.003 0.000 1.133 141 W HN 0.412 nan 8.180 nan 0.000 0.521 142 A N -0.555 122.235 122.820 -0.050 0.000 2.015 142 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 142 A C 1.689 179.218 177.584 -0.091 0.000 1.163 142 A CA 1.583 53.539 52.037 -0.135 0.000 0.646 142 A CB -1.271 17.720 19.000 -0.015 0.000 0.806 142 A HN 0.617 nan 8.150 nan 0.000 0.448 143 Y N -1.884 118.321 120.300 -0.158 0.000 2.397 143 Y HA -0.014 4.536 4.550 -0.000 0.000 0.292 143 Y C 2.043 177.981 175.900 0.063 0.000 1.115 143 Y CA 1.040 59.096 58.100 -0.072 0.000 1.208 143 Y CB -0.088 38.323 38.460 -0.081 0.000 1.046 143 Y HN 0.375 nan 8.280 nan 0.000 0.552 144 Y N -0.676 119.511 120.300 -0.188 0.000 2.153 144 Y HA -0.217 4.333 4.550 -0.000 0.000 0.289 144 Y C 2.860 178.562 175.900 -0.330 0.000 1.127 144 Y CA 0.724 58.668 58.100 -0.259 0.000 1.131 144 Y CB -0.367 38.114 38.460 0.035 0.000 0.995 144 Y HN 0.248 nan 8.280 nan 0.000 0.505 145 S N 0.350 115.880 115.700 -0.284 0.000 2.481 145 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 145 S C 0.921 175.324 174.600 -0.329 0.000 0.996 145 S CA 0.226 58.159 58.200 -0.445 0.000 0.942 145 S CB -0.659 61.731 63.200 -1.350 0.000 0.768 145 S HN 0.306 nan 8.310 nan 0.000 0.520 146 S N -0.196 115.321 115.700 -0.304 0.000 2.652 146 S HA 0.794 5.264 4.470 -0.000 0.000 0.270 146 S C 0.286 174.732 174.600 -0.257 0.000 1.243 146 S CA -0.239 57.828 58.200 -0.221 0.000 0.999 146 S CB 1.199 64.312 63.200 -0.144 0.000 0.973 146 S HN 0.647 nan 8.310 nan 0.000 0.544 147 G N -0.594 108.108 108.800 -0.164 0.000 2.949 147 G HA2 0.694 4.653 3.960 -0.000 0.000 0.285 147 G HA3 0.694 4.653 3.960 -0.000 0.000 0.285 147 G C -0.907 173.964 174.900 -0.048 0.000 1.395 147 G CA -0.721 44.295 45.100 -0.140 0.000 0.901 147 G HN 1.156 nan 8.290 nan 0.000 0.519 148 A N 0.032 122.836 122.820 -0.027 0.000 2.404 148 A HA 0.559 4.879 4.320 -0.000 0.000 0.273 148 A C 0.909 178.499 177.584 0.010 0.000 1.144 148 A CA 0.629 52.662 52.037 -0.006 0.000 0.806 148 A CB -0.964 18.034 19.000 -0.003 0.000 1.080 148 A HN 1.116 nan 8.150 nan 0.000 0.509 149 N N 1.404 120.119 118.700 0.025 0.000 1.170 149 N HA -0.238 4.502 4.740 -0.000 0.000 0.121 149 N C 0.210 175.744 175.510 0.040 0.000 0.786 149 N CA 1.581 54.656 53.050 0.042 0.000 0.876 149 N CB -0.716 37.807 38.487 0.060 0.000 1.094 149 N HN 0.744 nan 8.380 nan 0.000 0.586 150 D N 1.807 122.237 120.400 0.050 0.000 2.351 150 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 150 D C 0.006 176.316 176.300 0.016 0.000 0.968 150 D CA 1.405 55.432 54.000 0.046 0.000 0.899 150 D CB -0.245 40.602 40.800 0.078 0.000 0.907 150 D HN 0.482 nan 8.370 nan 0.000 0.514 151 E N -1.486 118.712 120.200 -0.003 0.000 3.057 151 E HA -0.196 4.154 4.350 -0.000 0.000 0.296 151 E C 1.314 177.899 176.600 -0.026 0.000 0.943 151 E CA 0.354 56.767 56.400 0.022 0.000 0.965 151 E CB -1.634 28.114 29.700 0.080 0.000 1.485 151 E HN 0.293 nan 8.360 nan 0.000 0.417 152 V N -2.504 117.318 119.914 -0.154 0.000 2.407 152 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 152 V C 1.992 177.963 176.094 -0.205 0.000 1.041 152 V CA 2.238 64.403 62.300 -0.225 0.000 1.040 152 V CB -0.259 31.339 31.823 -0.376 0.000 0.671 152 V HN 0.261 nan 8.190 nan 0.000 0.455 153 T N 0.319 114.735 114.554 -0.230 0.000 2.684 153 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 153 T C 1.800 176.506 174.700 0.009 0.000 1.036 153 T CA 2.332 64.362 62.100 -0.117 0.000 1.148 153 T CB -0.600 68.216 68.868 -0.087 0.000 0.863 153 T HN 0.863 nan 8.240 nan 0.000 0.436 154 H N 1.540 120.572 119.070 -0.064 0.000 2.321 154 H HA -0.078 4.477 4.556 -0.001 0.000 0.295 154 H C 2.374 177.700 175.328 -0.004 0.000 1.102 154 H CA 1.950 57.983 56.048 -0.026 0.000 1.266 154 H CB -0.192 29.550 29.762 -0.033 0.000 1.363 154 H HN 0.211 nan 8.280 nan 0.000 0.492 155 R N -0.426 119.928 120.500 -0.242 0.000 2.075 155 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 155 R C 2.384 178.632 176.300 -0.087 0.000 1.114 155 R CA 1.245 57.191 56.100 -0.258 0.000 0.972 155 R CB -0.148 30.043 30.300 -0.181 0.000 0.869 155 R HN 0.374 nan 8.270 nan 0.000 0.437 156 E N 0.802 120.965 120.200 -0.062 0.000 2.265 156 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 156 E C 0.985 177.581 176.600 -0.008 0.000 0.996 156 E CA 1.565 57.944 56.400 -0.034 0.000 0.832 156 E CB -0.222 29.446 29.700 -0.052 0.000 0.756 156 E HN 0.371 nan 8.360 nan 0.000 0.491 157 N N -1.314 117.402 118.700 0.026 0.000 2.120 157 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 157 N C 1.651 177.248 175.510 0.145 0.000 1.024 157 N CA 1.090 54.182 53.050 0.071 0.000 0.852 157 N CB -0.233 38.330 38.487 0.126 0.000 1.003 157 N HN 0.279 nan 8.380 nan 0.000 0.424 158 H N 1.041 120.137 119.070 0.043 0.000 2.307 158 H HA 0.066 4.621 4.556 -0.000 0.000 0.303 158 H C 1.498 176.793 175.328 -0.054 0.000 1.073 158 H CA 1.873 57.955 56.048 0.058 0.000 1.338 158 H CB -0.009 29.722 29.762 -0.051 0.000 1.389 158 H HN 0.218 nan 8.280 nan 0.000 0.503 159 N N 0.005 118.687 118.700 -0.029 0.000 2.244 159 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 159 N C 1.993 177.433 175.510 -0.117 0.000 1.016 159 N CA 0.680 53.634 53.050 -0.159 0.000 0.866 159 N CB -0.093 38.370 38.487 -0.041 0.000 0.980 159 N HN 0.428 nan 8.380 nan 0.000 0.430 160 A N 0.919 123.687 122.820 -0.087 0.000 1.917 160 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 160 A C 1.618 179.119 177.584 -0.138 0.000 1.182 160 A CA 1.379 53.348 52.037 -0.114 0.000 0.633 160 A CB -1.161 17.736 19.000 -0.172 0.000 0.819 160 A HN 0.352 nan 8.150 nan 0.000 0.448 161 Y N -0.334 119.893 120.300 -0.122 0.000 2.228 161 Y HA -0.292 4.258 4.550 -0.000 0.000 0.285 161 Y C 2.438 178.335 175.900 -0.006 0.000 1.178 161 Y CA 2.094 60.137 58.100 -0.096 0.000 1.202 161 Y CB -0.495 37.865 38.460 -0.166 0.000 0.974 161 Y HN 0.499 nan 8.280 nan 0.000 0.527 162 H N -0.904 118.133 119.070 -0.055 0.000 2.547 162 H HA 0.098 4.653 4.556 -0.001 0.000 0.272 162 H C 1.585 176.924 175.328 0.018 0.000 0.989 162 H CA 0.474 56.469 56.048 -0.089 0.000 1.214 162 H CB -0.100 29.640 29.762 -0.037 0.000 1.389 162 H HN 0.295 nan 8.280 nan 0.000 0.577 163 R N 0.092 120.679 120.500 0.145 0.000 2.323 163 R HA 0.184 4.524 4.340 -0.000 0.000 0.198 163 R C -0.122 176.267 176.300 0.149 0.000 0.988 163 R CA 0.237 56.425 56.100 0.147 0.000 1.041 163 R CB 0.338 30.678 30.300 0.068 0.000 0.926 163 R HN 0.178 nan 8.270 nan 0.000 0.476 164 I N 0.474 121.089 120.570 0.074 0.000 2.474 164 I HA 0.316 4.486 4.170 -0.000 0.000 0.294 164 I C -0.541 175.504 176.117 -0.121 0.000 1.005 164 I CA -0.727 60.583 61.300 0.016 0.000 1.113 164 I CB 1.391 39.347 38.000 -0.073 0.000 1.289 164 I HN -0.207 nan 8.210 nan 0.000 0.436 165 F N 4.063 123.868 119.950 -0.242 0.000 2.654 165 F HA 0.587 5.114 4.527 -0.001 0.000 0.334 165 F C -0.477 175.146 175.800 -0.295 0.000 1.078 165 F CA -0.575 57.240 58.000 -0.308 0.000 0.986 165 F CB 1.437 40.361 39.000 -0.126 0.000 1.362 165 F HN 0.070 nan 8.300 nan 0.000 0.498 166 F N 0.406 120.476 119.950 0.201 0.000 2.470 166 F HA 0.524 5.050 4.527 -0.001 0.000 0.329 166 F C -0.163 175.699 175.800 0.104 0.000 1.072 166 F CA -1.238 56.828 58.000 0.108 0.000 0.989 166 F CB 1.556 40.590 39.000 0.058 0.000 1.193 166 F HN 0.105 nan 8.300 nan 0.000 0.481 167 K N 2.987 123.574 120.400 0.312 0.000 2.606 167 K HA 0.314 4.634 4.320 -0.000 0.000 0.196 167 K C -2.652 174.018 176.600 0.116 0.000 1.048 167 K CA -1.693 54.697 56.287 0.172 0.000 1.017 167 K CB 0.707 33.283 32.500 0.127 0.000 1.413 167 K HN 0.187 nan 8.250 nan 0.000 0.568 168 P HA 0.005 nan 4.420 nan 0.000 0.271 168 P C -0.854 176.456 177.300 0.016 0.000 1.216 168 P CA -0.201 62.908 63.100 0.015 0.000 0.776 168 P CB 0.632 32.328 31.700 -0.006 0.000 0.881 169 K N 2.954 123.353 120.400 -0.002 0.000 2.276 169 K HA 0.361 4.681 4.320 -0.000 0.000 0.285 169 K C 0.039 176.636 176.600 -0.005 0.000 1.062 169 K CA -0.719 55.569 56.287 0.002 0.000 0.918 169 K CB 0.856 33.356 32.500 0.001 0.000 1.055 169 K HN 0.332 nan 8.250 nan 0.000 0.477 170 I N 2.256 122.827 120.570 0.002 0.000 2.783 170 I HA 0.156 4.326 4.170 -0.000 0.000 0.312 170 I C 0.826 176.944 176.117 0.001 0.000 0.988 170 I CA -0.603 60.697 61.300 0.000 0.000 1.182 170 I CB 0.596 38.599 38.000 0.005 0.000 1.368 170 I HN 0.660 nan 8.210 nan 0.000 0.511 171 L N 3.801 125.024 121.223 -0.000 0.000 3.608 171 L HA -0.148 4.192 4.340 -0.000 0.000 0.422 171 L C -1.170 175.700 176.870 0.000 0.000 1.260 171 L CA -0.140 54.701 54.840 0.001 0.000 0.889 171 L CB -1.589 40.471 42.059 0.003 0.000 1.821 171 L HN 0.247 nan 8.230 nan 0.000 0.884 172 V N -0.864 119.049 119.914 -0.002 0.000 2.555 172 V HA 0.277 4.396 4.120 -0.000 0.000 0.302 172 V C 0.405 176.497 176.094 -0.003 0.000 1.038 172 V CA -0.565 61.733 62.300 -0.002 0.000 0.887 172 V CB 2.013 33.833 31.823 -0.004 0.000 0.991 172 V HN 0.126 nan 8.190 nan 0.000 0.434 173 D N 3.489 123.888 120.400 -0.001 0.000 2.357 173 D HA 0.092 4.732 4.640 -0.000 0.000 0.265 173 D C 0.489 176.788 176.300 -0.002 0.000 1.334 173 D CA 0.172 54.172 54.000 -0.001 0.000 0.984 173 D CB 0.823 41.623 40.800 0.001 0.000 1.077 173 D HN 0.453 nan 8.370 nan 0.000 0.514 174 V N 2.219 122.130 119.914 -0.004 0.000 2.843 174 V HA 0.349 4.469 4.120 -0.000 0.000 0.366 174 V C 1.604 177.696 176.094 -0.004 0.000 1.283 174 V CA -0.616 61.680 62.300 -0.006 0.000 1.303 174 V CB 0.178 31.992 31.823 -0.014 0.000 1.418 174 V HN 0.343 nan 8.190 nan 0.000 0.598 175 R N 1.325 121.824 120.500 -0.001 0.000 2.090 175 R HA 0.115 4.455 4.340 -0.000 0.000 0.228 175 R C 0.964 177.265 176.300 0.003 0.000 1.110 175 R CA 1.078 57.178 56.100 0.001 0.000 0.973 175 R CB 0.284 30.585 30.300 0.002 0.000 0.869 175 R HN 0.583 nan 8.270 nan 0.000 0.440 176 K N 0.071 120.473 120.400 0.004 0.000 2.397 176 K HA 0.344 4.663 4.320 -0.000 0.000 0.253 176 K C -1.832 174.773 176.600 0.008 0.000 0.932 176 K CA -0.587 55.704 56.287 0.007 0.000 0.795 176 K CB 2.291 34.796 32.500 0.008 0.000 1.159 176 K HN -0.153 nan 8.250 nan 0.000 0.424 177 V N 3.122 123.042 119.914 0.011 0.000 2.686 177 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 177 V C -1.551 174.555 176.094 0.019 0.000 1.065 177 V CA -0.770 61.538 62.300 0.012 0.000 0.894 177 V CB 2.016 33.844 31.823 0.008 0.000 1.004 177 V HN 0.884 nan 8.190 nan 0.000 0.424 178 D N 3.463 123.876 120.400 0.022 0.000 2.440 178 D HA 0.457 5.096 4.640 -0.000 0.000 0.239 178 D C 0.674 176.990 176.300 0.027 0.000 1.084 178 D CA -0.450 53.567 54.000 0.028 0.000 0.843 178 D CB 1.309 42.130 40.800 0.035 0.000 1.097 178 D HN 0.554 nan 8.370 nan 0.000 0.531 179 I N 1.053 121.639 120.570 0.026 0.000 3.861 179 I HA 0.248 4.417 4.170 -0.000 0.000 0.329 179 I C 0.362 176.478 176.117 -0.001 0.000 1.321 179 I CA -0.538 60.779 61.300 0.028 0.000 1.126 179 I CB -0.115 37.914 38.000 0.049 0.000 1.018 179 I HN 0.160 nan 8.210 nan 0.000 0.407 180 S N 0.258 115.947 115.700 -0.018 0.000 2.610 180 S HA 0.673 5.143 4.470 -0.000 0.000 0.273 180 S C 0.098 174.639 174.600 -0.097 0.000 1.274 180 S CA 0.000 58.141 58.200 -0.098 0.000 1.023 180 S CB 2.033 65.176 63.200 -0.094 0.000 0.962 180 S HN 0.431 nan 8.310 nan 0.000 0.523 181 T N -0.239 114.209 114.554 -0.176 0.000 2.626 181 T HA 0.456 4.806 4.350 -0.000 0.000 0.299 181 T C -2.475 172.146 174.700 -0.132 0.000 1.181 181 T CA -0.669 61.379 62.100 -0.087 0.000 1.053 181 T CB 1.207 70.076 68.868 0.002 0.000 1.566 181 T HN 0.889 nan 8.240 nan 0.000 0.486 182 D N 1.276 121.674 120.400 -0.003 0.000 2.646 182 D HA 0.493 5.133 4.640 -0.000 0.000 0.245 182 D C -1.038 175.343 176.300 0.134 0.000 1.099 182 D CA -0.671 53.360 54.000 0.051 0.000 0.849 182 D CB 1.884 42.735 40.800 0.085 0.000 1.448 182 D HN 0.532 nan 8.370 nan 0.000 0.489 183 M N 2.050 121.774 119.600 0.207 0.000 2.253 183 M HA 0.186 4.666 4.480 -0.000 0.000 0.314 183 M C -0.531 175.942 176.300 0.288 0.000 1.019 183 M CA -0.889 54.613 55.300 0.337 0.000 0.932 183 M CB 2.019 34.933 32.600 0.523 0.000 1.606 183 M HN 0.243 nan 8.290 nan 0.000 0.430 184 L N 3.176 124.526 121.223 0.212 0.000 3.737 184 L HA -0.265 4.075 4.340 -0.000 0.000 0.418 184 L C 1.093 178.033 176.870 0.116 0.000 1.216 184 L CA 1.912 56.812 54.840 0.100 0.000 0.915 184 L CB -2.519 39.517 42.059 -0.038 0.000 1.834 184 L HN 1.209 nan 8.230 nan 0.000 0.943 185 G N -2.605 106.264 108.800 0.115 0.000 2.320 185 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.242 185 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.242 185 G C 0.619 175.592 174.900 0.122 0.000 1.033 185 G CA 0.462 45.621 45.100 0.100 0.000 0.620 185 G HN 0.695 nan 8.290 nan 0.000 0.517 186 S N 1.356 117.153 115.700 0.161 0.000 2.603 186 S HA 0.500 4.970 4.470 -0.000 0.000 0.268 186 S C 0.038 174.741 174.600 0.171 0.000 1.317 186 S CA -0.212 58.082 58.200 0.156 0.000 1.012 186 S CB 1.185 64.477 63.200 0.153 0.000 0.926 186 S HN 0.614 nan 8.310 nan 0.000 0.539 187 H N 1.319 120.421 119.070 0.053 0.000 2.467 187 H HA 0.575 5.131 4.556 -0.001 0.000 0.326 187 H C -0.666 174.673 175.328 0.018 0.000 1.094 187 H CA -0.678 55.395 56.048 0.041 0.000 1.253 187 H CB 0.817 30.595 29.762 0.026 0.000 1.439 187 H HN 0.469 nan 8.280 nan 0.000 0.479 188 V N 1.970 121.678 119.914 -0.343 0.000 3.046 188 V HA 0.304 4.424 4.120 -0.000 0.000 0.316 188 V C 0.414 176.302 176.094 -0.343 0.000 1.104 188 V CA -0.833 61.330 62.300 -0.229 0.000 1.006 188 V CB 2.088 33.826 31.823 -0.142 0.000 1.058 188 V HN 0.675 nan 8.190 nan 0.000 0.440 189 D N 0.558 120.845 120.400 -0.189 0.000 2.317 189 D HA 0.202 4.842 4.640 -0.000 0.000 0.211 189 D C 0.202 176.403 176.300 -0.165 0.000 0.966 189 D CA 1.175 55.093 54.000 -0.135 0.000 0.876 189 D CB 0.915 41.659 40.800 -0.092 0.000 0.927 189 D HN 0.363 nan 8.370 nan 0.000 0.519 190 V N 0.543 120.318 119.914 -0.231 0.000 3.077 190 V HA 0.213 4.333 4.120 -0.000 0.000 0.299 190 V C -2.310 173.652 176.094 -0.220 0.000 1.276 190 V CA -1.401 60.725 62.300 -0.289 0.000 0.993 190 V CB 3.112 34.572 31.823 -0.606 0.000 1.076 190 V HN -0.206 nan 8.190 nan 0.000 0.434 191 P HA 0.212 nan 4.420 nan 0.000 0.254 191 P C -0.627 176.832 177.300 0.265 0.000 1.494 191 P CA 0.198 63.368 63.100 0.116 0.000 0.961 191 P CB -0.471 31.321 31.700 0.154 0.000 1.493 192 F N -0.242 119.793 119.950 0.142 0.000 2.620 192 F HA 0.778 5.304 4.527 -0.001 0.000 0.320 192 F C -1.019 174.866 175.800 0.141 0.000 1.069 192 F CA -1.959 56.116 58.000 0.125 0.000 0.953 192 F CB 0.952 39.979 39.000 0.046 0.000 1.322 192 F HN -0.141 nan 8.300 nan 0.000 0.479 193 Y N -1.132 119.326 120.300 0.264 0.000 2.625 193 Y HA 0.754 5.303 4.550 -0.001 0.000 0.338 193 Y C -1.964 173.905 175.900 -0.052 0.000 1.123 193 Y CA -1.987 56.110 58.100 -0.005 0.000 1.046 193 Y CB 1.222 39.692 38.460 0.017 0.000 1.299 193 Y HN 0.540 nan 8.280 nan 0.000 0.464 194 V N 2.968 122.798 119.914 -0.140 0.000 2.353 194 V HA 0.226 4.346 4.120 -0.000 0.000 0.264 194 V C 0.511 176.576 176.094 -0.048 0.000 1.049 194 V CA -0.180 61.929 62.300 -0.319 0.000 0.896 194 V CB 0.336 31.814 31.823 -0.574 0.000 1.025 194 V HN 0.866 nan 8.190 nan 0.000 0.475 195 S N 4.086 119.760 115.700 -0.042 0.000 2.589 195 S HA 0.541 5.011 4.470 -0.000 0.000 0.265 195 S C 0.655 175.185 174.600 -0.117 0.000 1.342 195 S CA -0.019 58.184 58.200 0.005 0.000 1.005 195 S CB 0.762 63.935 63.200 -0.045 0.000 0.909 195 S HN 1.054 nan 8.310 nan 0.000 0.555 196 A N 2.217 124.938 122.820 -0.164 0.000 2.445 196 A HA 0.509 4.829 4.320 -0.000 0.000 0.242 196 A C 0.256 177.740 177.584 -0.168 0.000 1.075 196 A CA 0.005 51.932 52.037 -0.183 0.000 0.777 196 A CB 0.204 19.065 19.000 -0.231 0.000 1.013 196 A HN 0.709 nan 8.150 nan 0.000 0.493 197 T N 0.910 115.387 114.554 -0.129 0.000 3.170 197 T HA 0.542 4.892 4.350 -0.000 0.000 0.315 197 T C -0.127 174.568 174.700 -0.009 0.000 0.967 197 T CA 0.296 62.327 62.100 -0.116 0.000 1.024 197 T CB 0.479 69.229 68.868 -0.197 0.000 1.018 197 T HN 1.373 nan 8.240 nan 0.000 0.449 198 A N 3.711 126.594 122.820 0.104 0.000 2.366 198 A HA 0.687 5.007 4.320 -0.000 0.000 0.249 198 A C 0.809 178.571 177.584 0.296 0.000 1.084 198 A CA -0.303 51.860 52.037 0.211 0.000 0.794 198 A CB -0.245 18.941 19.000 0.309 0.000 1.034 198 A HN 1.270 nan 8.150 nan 0.000 0.491 199 L N -0.064 121.291 121.223 0.220 0.000 3.664 199 L HA -0.215 4.124 4.340 -0.000 0.000 0.560 199 L C 0.756 177.797 176.870 0.284 0.000 1.285 199 L CA -0.173 54.789 54.840 0.204 0.000 0.864 199 L CB -2.538 39.594 42.059 0.121 0.000 1.512 199 L HN 0.796 nan 8.230 nan 0.000 0.853 200 C N -0.413 118.999 119.300 0.187 0.000 2.576 200 C HA -0.028 4.431 4.460 -0.000 0.000 0.267 200 C C 2.376 177.478 174.990 0.187 0.000 1.364 200 C CA 0.414 59.544 59.018 0.185 0.000 1.723 200 C CB -0.547 27.236 27.740 0.071 0.000 1.778 200 C HN 0.582 nan 8.230 nan 0.000 0.572 201 K N 0.703 121.188 120.400 0.140 0.000 2.305 201 K HA 0.094 4.414 4.320 -0.000 0.000 0.199 201 K C 1.681 178.341 176.600 0.099 0.000 1.047 201 K CA 0.658 57.004 56.287 0.098 0.000 0.976 201 K CB -0.068 32.465 32.500 0.054 0.000 0.765 201 K HN 0.502 nan 8.250 nan 0.000 0.474 202 L N -0.295 120.998 121.223 0.116 0.000 2.129 202 L HA -0.186 4.153 4.340 -0.000 0.000 0.212 202 L C 2.097 178.998 176.870 0.052 0.000 1.087 202 L CA 1.531 56.388 54.840 0.029 0.000 0.757 202 L CB -0.326 41.683 42.059 -0.083 0.000 0.896 202 L HN 0.314 nan 8.230 nan 0.000 0.434 203 G N -2.248 106.671 108.800 0.199 0.000 2.944 203 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.223 203 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.223 203 G C 0.279 175.280 174.900 0.168 0.000 1.071 203 G CA -0.086 45.154 45.100 0.234 0.000 0.806 203 G HN 0.204 nan 8.290 nan 0.000 0.538 204 N N 0.241 119.024 118.700 0.138 0.000 2.722 204 N HA 0.286 5.026 4.740 -0.000 0.000 0.242 204 N C -2.310 173.239 175.510 0.066 0.000 1.398 204 N CA -1.476 51.626 53.050 0.087 0.000 0.755 204 N CB 2.095 40.632 38.487 0.083 0.000 1.268 204 N HN -0.163 nan 8.380 nan 0.000 0.522 205 P HA -0.016 nan 4.420 nan 0.000 0.219 205 P C 1.508 178.824 177.300 0.027 0.000 1.150 205 P CA 0.320 63.441 63.100 0.035 0.000 0.814 205 P CB 0.705 32.417 31.700 0.020 0.000 0.787 206 L N -0.415 120.823 121.223 0.025 0.000 2.056 206 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 206 L C 2.010 178.893 176.870 0.022 0.000 1.078 206 L CA 1.993 56.845 54.840 0.020 0.000 0.749 206 L CB -1.053 41.016 42.059 0.017 0.000 0.901 206 L HN -0.017 nan 8.230 nan 0.000 0.433 207 E N -2.310 117.906 120.200 0.027 0.000 2.467 207 E HA 0.235 4.585 4.350 -0.000 0.000 0.213 207 E C 1.443 178.060 176.600 0.028 0.000 0.823 207 E CA 0.737 57.152 56.400 0.025 0.000 1.233 207 E CB 0.199 29.912 29.700 0.023 0.000 1.233 207 E HN 0.218 nan 8.360 nan 0.000 0.585 208 G N 2.666 111.489 108.800 0.039 0.000 2.685 208 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.329 208 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.329 208 G C 0.943 175.859 174.900 0.026 0.000 1.271 208 G CA 1.226 46.353 45.100 0.045 0.000 1.003 208 G HN 0.293 nan 8.290 nan 0.000 0.549 209 E N 0.629 120.841 120.200 0.021 0.000 2.208 209 E HA 0.099 4.448 4.350 -0.000 0.000 0.193 209 E C 2.492 179.087 176.600 -0.008 0.000 0.988 209 E CA 1.354 57.755 56.400 0.001 0.000 0.828 209 E CB -0.097 29.607 29.700 0.006 0.000 0.763 209 E HN 0.584 nan 8.360 nan 0.000 0.478 210 K N 0.461 120.863 120.400 0.003 0.000 2.063 210 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 210 K C 1.529 178.125 176.600 -0.007 0.000 1.048 210 K CA 1.507 57.793 56.287 -0.002 0.000 0.928 210 K CB -0.055 32.449 32.500 0.006 0.000 0.713 210 K HN 0.030 nan 8.250 nan 0.000 0.442 211 D N -0.197 120.204 120.400 0.001 0.000 2.178 211 D HA -0.131 4.508 4.640 -0.000 0.000 0.202 211 D C 1.767 178.062 176.300 -0.009 0.000 0.974 211 D CA 0.886 54.889 54.000 0.004 0.000 0.841 211 D CB 0.051 40.862 40.800 0.019 0.000 0.953 211 D HN 0.116 nan 8.370 nan 0.000 0.478 212 V N -0.348 119.551 119.914 -0.024 0.000 2.323 212 V HA -0.096 4.023 4.120 -0.000 0.000 0.244 212 V C 2.166 178.216 176.094 -0.074 0.000 1.041 212 V CA 1.881 64.149 62.300 -0.052 0.000 1.025 212 V CB -0.849 30.925 31.823 -0.080 0.000 0.656 212 V HN 0.113 nan 8.190 nan 0.000 0.451 213 A N 1.063 123.842 122.820 -0.069 0.000 1.997 213 A HA -0.240 4.079 4.320 -0.000 0.000 0.221 213 A C 2.358 179.902 177.584 -0.065 0.000 1.172 213 A CA 2.326 54.317 52.037 -0.078 0.000 0.645 213 A CB -0.605 18.361 19.000 -0.057 0.000 0.813 213 A HN 0.735 nan 8.150 nan 0.000 0.454 214 R N -1.277 119.199 120.500 -0.041 0.000 2.062 214 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 214 R C 2.476 178.761 176.300 -0.025 0.000 1.125 214 R CA 0.876 56.959 56.100 -0.028 0.000 0.966 214 R CB -0.837 29.456 30.300 -0.010 0.000 0.861 214 R HN 0.457 nan 8.270 nan 0.000 0.433 215 G N 1.199 109.989 108.800 -0.018 0.000 2.503 215 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 215 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 215 G C 1.444 176.330 174.900 -0.023 0.000 1.131 215 G CA 1.165 46.263 45.100 -0.003 0.000 0.756 215 G HN 0.337 nan 8.290 nan 0.000 0.572 216 C N -0.008 119.250 119.300 -0.071 0.000 2.522 216 C HA 0.269 4.729 4.460 -0.000 0.000 0.280 216 C C 3.067 177.999 174.990 -0.097 0.000 1.303 216 C CA 0.735 59.685 59.018 -0.113 0.000 1.709 216 C CB -0.726 26.903 27.740 -0.186 0.000 2.071 216 C HN 0.484 nan 8.230 nan 0.000 0.492 217 G N 0.013 108.762 108.800 -0.085 0.000 3.042 217 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.212 217 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.212 217 G C 1.538 176.412 174.900 -0.044 0.000 1.166 217 G CA 0.483 45.540 45.100 -0.072 0.000 0.767 217 G HN 0.760 nan 8.290 nan 0.000 0.546 218 Q N 0.014 119.796 119.800 -0.030 0.000 2.204 218 Q HA 0.218 4.558 4.340 -0.000 0.000 0.198 218 Q C 1.409 177.404 176.000 -0.008 0.000 0.946 218 Q CA 0.698 56.492 55.803 -0.015 0.000 0.859 218 Q CB -0.155 28.580 28.738 -0.006 0.000 0.946 218 Q HN 0.172 nan 8.270 nan 0.000 0.474 219 G N 1.058 109.856 108.800 -0.004 0.000 2.563 219 G HA2 0.280 4.240 3.960 -0.000 0.000 0.283 219 G HA3 0.280 4.240 3.960 -0.000 0.000 0.283 219 G C 0.976 175.875 174.900 -0.000 0.000 1.309 219 G CA 0.146 45.248 45.100 0.004 0.000 1.022 219 G HN 0.304 nan 8.290 nan 0.000 0.501 220 V N -2.996 116.921 119.914 0.006 0.000 2.594 220 V HA 0.054 4.174 4.120 -0.000 0.000 0.253 220 V C 1.121 177.215 176.094 -0.000 0.000 1.069 220 V CA 1.666 63.968 62.300 0.004 0.000 1.082 220 V CB -1.047 30.782 31.823 0.010 0.000 0.680 220 V HN 0.383 nan 8.190 nan 0.000 0.469 221 T N 3.176 117.731 114.554 0.000 0.000 2.756 221 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 221 T C -0.361 174.314 174.700 -0.042 0.000 0.985 221 T CA -0.546 61.546 62.100 -0.014 0.000 0.955 221 T CB 1.011 69.885 68.868 0.011 0.000 0.930 221 T HN 0.699 nan 8.240 nan 0.000 0.451 222 K N 1.830 122.182 120.400 -0.079 0.000 2.318 222 K HA 0.855 5.175 4.320 -0.000 0.000 0.249 222 K C -1.390 175.093 176.600 -0.194 0.000 0.942 222 K CA -1.083 55.134 56.287 -0.115 0.000 0.808 222 K CB 2.292 34.736 32.500 -0.093 0.000 1.189 222 K HN 0.225 nan 8.250 nan 0.000 0.428 223 V N 1.740 121.511 119.914 -0.239 0.000 2.760 223 V HA 0.325 4.444 4.120 -0.000 0.000 0.309 223 V C -2.543 173.329 176.094 -0.370 0.000 1.077 223 V CA -2.236 59.862 62.300 -0.335 0.000 0.910 223 V CB 1.875 33.497 31.823 -0.335 0.000 1.008 223 V HN 0.691 nan 8.190 nan 0.000 0.424 224 P HA 0.158 nan 4.420 nan 0.000 0.268 224 P C -0.998 175.938 177.300 -0.606 0.000 1.205 224 P CA 0.010 62.665 63.100 -0.742 0.000 0.771 224 P CB 0.406 31.361 31.700 -1.241 0.000 0.858 225 Q N 3.140 122.588 119.800 -0.587 0.000 2.327 225 Q HA 0.424 4.763 4.340 -0.000 0.000 0.270 225 Q C -1.007 174.803 176.000 -0.316 0.000 1.022 225 Q CA -0.645 54.932 55.803 -0.377 0.000 0.773 225 Q CB 0.848 29.421 28.738 -0.275 0.000 1.251 225 Q HN 0.400 nan 8.270 nan 0.000 0.457 226 M N 4.872 124.340 119.600 -0.219 0.000 2.200 226 M HA 0.338 4.818 4.480 -0.000 0.000 0.355 226 M C -0.939 175.259 176.300 -0.169 0.000 1.283 226 M CA -0.008 55.186 55.300 -0.176 0.000 1.124 226 M CB 0.541 32.965 32.600 -0.294 0.000 1.625 226 M HN 0.607 nan 8.290 nan 0.000 0.463 227 I N 3.015 123.495 120.570 -0.150 0.000 2.354 227 I HA 0.205 4.374 4.170 -0.000 0.000 0.292 227 I C 0.215 176.146 176.117 -0.311 0.000 0.989 227 I CA -0.556 60.661 61.300 -0.139 0.000 1.188 227 I CB 1.757 39.775 38.000 0.030 0.000 1.342 227 I HN 0.593 nan 8.210 nan 0.000 0.457 228 S N 3.358 118.938 115.700 -0.200 0.000 2.562 228 S HA 0.034 4.504 4.470 -0.000 0.000 0.281 228 S C 1.359 175.856 174.600 -0.171 0.000 1.333 228 S CA -0.130 57.953 58.200 -0.194 0.000 1.052 228 S CB 0.886 64.065 63.200 -0.035 0.000 0.884 228 S HN 0.722 nan 8.310 nan 0.000 0.506 229 T N 3.987 118.424 114.554 -0.194 0.000 2.833 229 T HA -0.037 4.312 4.350 -0.000 0.000 0.269 229 T C 1.020 175.911 174.700 0.318 0.000 1.054 229 T CA 1.486 63.624 62.100 0.064 0.000 1.135 229 T CB -0.179 68.748 68.868 0.098 0.000 0.869 229 T HN 0.701 nan 8.240 nan 0.000 0.466 230 A N 0.623 123.640 122.820 0.328 0.000 2.965 230 A HA 0.751 5.070 4.320 -0.000 0.000 0.304 230 A C 0.552 178.245 177.584 0.181 0.000 1.214 230 A CA -0.447 51.780 52.037 0.317 0.000 0.977 230 A CB -0.261 18.990 19.000 0.418 0.000 1.127 230 A HN 0.422 nan 8.150 nan 0.000 0.572 231 A N -0.174 122.731 122.820 0.141 0.000 2.388 231 A HA 0.515 4.835 4.320 -0.000 0.000 0.257 231 A C 1.467 179.102 177.584 0.086 0.000 1.095 231 A CA 0.306 52.402 52.037 0.099 0.000 0.791 231 A CB 0.159 19.206 19.000 0.078 0.000 1.029 231 A HN 0.522 nan 8.150 nan 0.000 0.489 232 S N 0.405 116.146 115.700 0.069 0.000 2.378 232 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 232 S C 0.994 175.621 174.600 0.045 0.000 1.052 232 S CA 1.566 59.794 58.200 0.047 0.000 1.084 232 S CB -0.702 62.526 63.200 0.046 0.000 0.950 232 S HN 0.826 nan 8.310 nan 0.000 0.440 233 C N 2.207 121.538 119.300 0.051 0.000 2.403 233 C HA 0.621 5.081 4.460 -0.000 0.000 0.361 233 C C 1.181 176.208 174.990 0.061 0.000 1.274 233 C CA -1.289 57.757 59.018 0.046 0.000 2.433 233 C CB 0.677 28.440 27.740 0.038 0.000 2.323 233 C HN 0.595 nan 8.230 nan 0.000 0.614 234 S N 1.074 116.805 115.700 0.051 0.000 2.601 234 S HA 0.273 4.742 4.470 -0.000 0.000 0.271 234 S C -2.068 172.572 174.600 0.067 0.000 1.305 234 S CA -0.691 57.544 58.200 0.059 0.000 1.022 234 S CB 0.550 63.772 63.200 0.036 0.000 0.940 234 S HN 0.581 nan 8.310 nan 0.000 0.525 235 P HA -0.096 nan 4.420 nan 0.000 0.215 235 P C 1.115 178.430 177.300 0.025 0.000 1.153 235 P CA 1.202 64.345 63.100 0.072 0.000 0.853 235 P CB -0.035 31.669 31.700 0.008 0.000 0.788 236 E N 0.117 120.321 120.200 0.008 0.000 2.068 236 E HA -0.247 4.103 4.350 -0.000 0.000 0.207 236 E C 2.070 178.675 176.600 0.007 0.000 1.032 236 E CA 1.654 58.055 56.400 0.001 0.000 0.839 236 E CB -0.778 28.922 29.700 0.000 0.000 0.758 236 E HN 0.406 nan 8.360 nan 0.000 0.457 237 E N -0.377 119.831 120.200 0.015 0.000 2.106 237 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 237 E C 2.046 178.653 176.600 0.012 0.000 0.984 237 E CA 0.845 57.253 56.400 0.013 0.000 0.806 237 E CB -0.040 29.671 29.700 0.018 0.000 0.750 237 E HN 0.306 nan 8.360 nan 0.000 0.458 238 I N 0.348 120.929 120.570 0.019 0.000 2.716 238 I HA -0.157 4.013 4.170 -0.000 0.000 0.259 238 I C 2.086 178.203 176.117 -0.000 0.000 1.172 238 I CA 0.542 61.850 61.300 0.012 0.000 1.478 238 I CB 0.085 38.101 38.000 0.027 0.000 1.104 238 I HN 0.079 nan 8.210 nan 0.000 0.439 239 I N 0.796 121.368 120.570 0.003 0.000 2.400 239 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 239 I C 2.631 178.741 176.117 -0.012 0.000 1.109 239 I CA 1.042 62.337 61.300 -0.008 0.000 1.425 239 I CB -0.301 37.696 38.000 -0.004 0.000 1.094 239 I HN 0.293 nan 8.210 nan 0.000 0.425 240 E N 2.269 122.464 120.200 -0.007 0.000 2.204 240 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 240 E C 2.057 178.652 176.600 -0.009 0.000 0.990 240 E CA 1.283 57.678 56.400 -0.008 0.000 0.821 240 E CB -0.076 29.621 29.700 -0.004 0.000 0.750 240 E HN 0.441 nan 8.360 nan 0.000 0.477 241 A N 1.427 124.242 122.820 -0.009 0.000 2.119 241 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 241 A C 1.478 179.050 177.584 -0.019 0.000 1.153 241 A CA 0.666 52.696 52.037 -0.011 0.000 0.692 241 A CB -0.448 18.547 19.000 -0.009 0.000 0.799 241 A HN 0.404 nan 8.150 nan 0.000 0.458 242 A N 0.580 123.384 122.820 -0.026 0.000 2.524 242 A HA 0.420 4.739 4.320 -0.000 0.000 0.250 242 A C -0.937 176.629 177.584 -0.030 0.000 1.078 242 A CA -0.645 51.370 52.037 -0.037 0.000 0.761 242 A CB -0.029 18.943 19.000 -0.045 0.000 1.012 242 A HN 0.249 nan 8.150 nan 0.000 0.500 243 P HA 0.009 nan 4.420 nan 0.000 0.220 243 P C 0.093 177.377 177.300 -0.026 0.000 1.152 243 P CA 0.974 64.059 63.100 -0.024 0.000 0.812 243 P CB 0.304 31.991 31.700 -0.022 0.000 0.792 244 S N -0.450 115.229 115.700 -0.034 0.000 2.503 244 S HA 0.184 4.654 4.470 -0.000 0.000 0.301 244 S C 0.452 175.031 174.600 -0.035 0.000 1.087 244 S CA -0.677 57.503 58.200 -0.032 0.000 1.042 244 S CB 1.468 64.646 63.200 -0.037 0.000 1.043 244 S HN 0.005 nan 8.310 nan 0.000 0.489 245 D N 1.681 122.065 120.400 -0.027 0.000 2.144 245 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 245 D C 1.357 177.640 176.300 -0.029 0.000 0.978 245 D CA 1.113 55.098 54.000 -0.025 0.000 0.833 245 D CB 0.101 40.890 40.800 -0.018 0.000 0.961 245 D HN 0.392 nan 8.370 nan 0.000 0.470 246 K N 0.676 121.060 120.400 -0.028 0.000 2.365 246 K HA -0.067 4.253 4.320 -0.000 0.000 0.199 246 K C 1.134 177.708 176.600 -0.043 0.000 1.045 246 K CA 0.140 56.411 56.287 -0.025 0.000 0.962 246 K CB 0.120 32.610 32.500 -0.017 0.000 0.759 246 K HN 0.244 nan 8.250 nan 0.000 0.469 247 Q N 1.314 121.075 119.800 -0.064 0.000 2.340 247 Q HA 0.160 4.500 4.340 -0.000 0.000 0.249 247 Q C -0.473 175.445 176.000 -0.136 0.000 0.957 247 Q CA -0.539 55.200 55.803 -0.107 0.000 0.882 247 Q CB 0.852 29.523 28.738 -0.111 0.000 1.235 247 Q HN 0.187 nan 8.270 nan 0.000 0.439 248 I N -0.221 120.218 120.570 -0.219 0.000 2.474 248 I HA 0.403 4.573 4.170 -0.000 0.000 0.294 248 I C -1.341 174.513 176.117 -0.439 0.000 1.005 248 I CA -0.407 60.723 61.300 -0.284 0.000 1.113 248 I CB 2.192 40.029 38.000 -0.273 0.000 1.289 248 I HN 0.700 nan 8.210 nan 0.000 0.436 249 Q N 5.622 125.216 119.800 -0.344 0.000 2.337 249 Q HA 0.472 4.812 4.340 -0.000 0.000 0.270 249 Q C -1.698 174.215 176.000 -0.145 0.000 1.043 249 Q CA -0.570 55.050 55.803 -0.306 0.000 0.794 249 Q CB 2.119 30.781 28.738 -0.127 0.000 1.281 249 Q HN 0.614 nan 8.270 nan 0.000 0.446 250 W N 1.184 122.452 121.300 -0.053 0.000 2.578 250 W HA 0.403 5.062 4.660 -0.000 0.000 0.364 250 W C -0.603 175.956 176.519 0.067 0.000 1.144 250 W CA -0.988 56.367 57.345 0.016 0.000 1.242 250 W CB 0.649 30.080 29.460 -0.048 0.000 1.382 250 W HN 0.566 nan 8.180 nan 0.000 0.625 251 Y N 1.801 122.256 120.300 0.259 0.000 2.341 251 Y HA 0.167 4.717 4.550 -0.001 0.000 0.338 251 Y C 0.267 176.232 175.900 0.108 0.000 0.965 251 Y CA -0.635 57.538 58.100 0.121 0.000 1.108 251 Y CB 1.272 39.780 38.460 0.079 0.000 1.180 251 Y HN 0.173 nan 8.280 nan 0.000 0.458 252 Q N 6.580 126.024 119.800 -0.594 0.000 2.322 252 Q HA 0.256 4.595 4.340 -0.000 0.000 0.256 252 Q C -2.029 173.631 176.000 -0.566 0.000 0.960 252 Q CA -0.650 54.889 55.803 -0.440 0.000 0.934 252 Q CB 1.350 29.823 28.738 -0.442 0.000 1.200 252 Q HN 0.779 nan 8.270 nan 0.000 0.435 253 L N 5.807 126.877 121.223 -0.255 0.000 2.296 253 L HA 0.396 4.736 4.340 -0.000 0.000 0.286 253 L C -1.696 175.042 176.870 -0.220 0.000 1.023 253 L CA -0.451 54.325 54.840 -0.106 0.000 0.812 253 L CB 0.960 43.063 42.059 0.073 0.000 1.223 253 L HN 0.456 nan 8.230 nan 0.000 0.421 254 Y N 4.451 124.693 120.300 -0.096 0.000 2.341 254 Y HA 0.395 4.945 4.550 -0.001 0.000 0.340 254 Y C 0.189 175.978 175.900 -0.185 0.000 0.997 254 Y CA -0.648 57.342 58.100 -0.182 0.000 1.149 254 Y CB 1.594 39.840 38.460 -0.356 0.000 1.171 254 Y HN 0.454 nan 8.280 nan 0.000 0.494 255 V N 4.090 124.019 119.914 0.025 0.000 2.479 255 V HA 0.226 4.346 4.120 -0.000 0.000 0.281 255 V C 0.155 176.208 176.094 -0.068 0.000 1.031 255 V CA -0.563 61.726 62.300 -0.017 0.000 1.038 255 V CB 0.283 32.098 31.823 -0.014 0.000 0.981 255 V HN 0.889 nan 8.190 nan 0.000 0.478 256 N N 4.055 122.716 118.700 -0.065 0.000 2.415 256 N HA 0.145 4.885 4.740 -0.000 0.000 0.248 256 N C 1.352 176.847 175.510 -0.025 0.000 1.271 256 N CA 0.460 53.474 53.050 -0.060 0.000 0.913 256 N CB 1.156 39.654 38.487 0.018 0.000 1.129 256 N HN 0.961 nan 8.380 nan 0.000 0.444 257 S N -0.029 115.665 115.700 -0.010 0.000 2.561 257 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 257 S C 0.339 174.945 174.600 0.011 0.000 0.977 257 S CA 0.225 58.424 58.200 -0.002 0.000 0.926 257 S CB 0.054 63.254 63.200 0.000 0.000 0.769 257 S HN 0.638 nan 8.310 nan 0.000 0.533 258 D N 1.783 122.196 120.400 0.023 0.000 2.524 258 D HA 0.227 4.866 4.640 -0.000 0.000 0.222 258 D C 0.762 177.077 176.300 0.024 0.000 1.142 258 D CA -0.539 53.477 54.000 0.027 0.000 0.973 258 D CB 0.284 41.108 40.800 0.039 0.000 1.025 258 D HN -0.049 nan 8.370 nan 0.000 0.519 259 R N 2.069 122.578 120.500 0.016 0.000 2.355 259 R HA -0.105 4.235 4.340 -0.000 0.000 0.219 259 R C 1.643 177.953 176.300 0.017 0.000 1.107 259 R CA 0.254 56.362 56.100 0.013 0.000 1.021 259 R CB -0.178 30.127 30.300 0.008 0.000 0.852 259 R HN 0.402 nan 8.270 nan 0.000 0.475 260 K N 1.153 121.565 120.400 0.020 0.000 1.991 260 K HA 0.013 4.332 4.320 -0.000 0.000 0.207 260 K C 2.083 178.698 176.600 0.026 0.000 1.045 260 K CA 0.896 57.194 56.287 0.020 0.000 0.937 260 K CB -0.222 32.290 32.500 0.020 0.000 0.720 260 K HN 0.100 nan 8.250 nan 0.000 0.438 261 I N 1.006 121.598 120.570 0.037 0.000 2.181 261 I HA -0.358 3.812 4.170 -0.000 0.000 0.247 261 I C 2.186 178.332 176.117 0.049 0.000 1.081 261 I CA 1.676 63.007 61.300 0.052 0.000 1.340 261 I CB -0.506 37.541 38.000 0.078 0.000 1.036 261 I HN 0.233 nan 8.210 nan 0.000 0.417 262 T N -0.621 113.957 114.554 0.040 0.000 2.770 262 T HA -0.191 4.159 4.350 -0.000 0.000 0.263 262 T C 1.552 176.266 174.700 0.024 0.000 1.039 262 T CA 1.657 63.779 62.100 0.037 0.000 1.142 262 T CB -0.328 68.555 68.868 0.025 0.000 0.868 262 T HN 0.377 nan 8.240 nan 0.000 0.435 263 D N 0.944 121.354 120.400 0.016 0.000 2.158 263 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 263 D C 1.691 177.993 176.300 0.003 0.000 0.995 263 D CA 1.124 55.129 54.000 0.008 0.000 0.846 263 D CB -0.072 40.733 40.800 0.008 0.000 0.941 263 D HN 0.210 nan 8.370 nan 0.000 0.456 264 D N -0.333 120.071 120.400 0.007 0.000 2.117 264 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 264 D C 2.151 178.444 176.300 -0.013 0.000 0.982 264 D CA 0.316 54.317 54.000 0.001 0.000 0.828 264 D CB -0.263 40.543 40.800 0.011 0.000 0.967 264 D HN 0.299 nan 8.370 nan 0.000 0.464 265 L N 0.403 121.623 121.223 -0.006 0.000 2.027 265 L HA -0.137 4.202 4.340 -0.000 0.000 0.206 265 L C 2.355 179.172 176.870 -0.088 0.000 1.074 265 L CA 0.739 55.557 54.840 -0.036 0.000 0.745 265 L CB -0.071 42.001 42.059 0.020 0.000 0.898 265 L HN -0.086 nan 8.230 nan 0.000 0.433 266 V N 0.067 119.955 119.914 -0.043 0.000 2.287 266 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 266 V C 2.460 178.519 176.094 -0.059 0.000 1.053 266 V CA 1.940 64.211 62.300 -0.047 0.000 1.027 266 V CB -0.501 31.316 31.823 -0.010 0.000 0.646 266 V HN 0.419 nan 8.190 nan 0.000 0.447 267 K N 0.128 120.504 120.400 -0.041 0.000 2.032 267 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 267 K C 2.193 178.762 176.600 -0.051 0.000 1.048 267 K CA 1.942 58.207 56.287 -0.035 0.000 0.927 267 K CB -0.421 32.065 32.500 -0.022 0.000 0.712 267 K HN 0.551 nan 8.250 nan 0.000 0.441 268 N N 0.762 119.422 118.700 -0.066 0.000 2.104 268 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 268 N C 1.738 177.182 175.510 -0.110 0.000 1.024 268 N CA 1.922 54.925 53.050 -0.078 0.000 0.853 268 N CB 0.135 38.573 38.487 -0.080 0.000 1.008 268 N HN 0.133 nan 8.380 nan 0.000 0.424 269 V N -1.350 118.462 119.914 -0.171 0.000 3.129 269 V HA 0.034 4.154 4.120 -0.000 0.000 0.259 269 V C 1.653 177.685 176.094 -0.103 0.000 1.116 269 V CA 1.138 63.312 62.300 -0.210 0.000 1.127 269 V CB -0.392 31.150 31.823 -0.469 0.000 0.742 269 V HN 0.286 nan 8.190 nan 0.000 0.474 270 E N 0.511 120.670 120.200 -0.067 0.000 2.158 270 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 270 E C 2.068 178.654 176.600 -0.024 0.000 0.982 270 E CA 0.586 56.970 56.400 -0.027 0.000 0.823 270 E CB -0.301 29.390 29.700 -0.015 0.000 0.766 270 E HN 0.441 nan 8.360 nan 0.000 0.468 271 K N 1.150 121.531 120.400 -0.033 0.000 2.063 271 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 271 K C 1.967 178.551 176.600 -0.026 0.000 1.048 271 K CA 1.052 57.324 56.287 -0.026 0.000 0.928 271 K CB -0.143 32.340 32.500 -0.028 0.000 0.713 271 K HN 0.193 nan 8.250 nan 0.000 0.442 272 L N -0.600 120.601 121.223 -0.038 0.000 2.552 272 L HA 0.009 4.349 4.340 -0.000 0.000 0.227 272 L C 1.099 177.958 176.870 -0.019 0.000 1.146 272 L CA 0.716 55.537 54.840 -0.031 0.000 0.858 272 L CB 0.132 42.164 42.059 -0.045 0.000 0.969 272 L HN 0.462 nan 8.230 nan 0.000 0.451 273 G N 0.154 108.947 108.800 -0.012 0.000 2.131 273 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.201 273 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.201 273 G C 0.258 175.170 174.900 0.021 0.000 1.000 273 G CA -0.027 45.075 45.100 0.003 0.000 0.680 273 G HN 0.214 nan 8.290 nan 0.000 0.514 274 V N -2.058 117.876 119.914 0.033 0.000 2.924 274 V HA 0.680 4.800 4.120 -0.000 0.000 0.305 274 V C 1.191 177.362 176.094 0.129 0.000 1.073 274 V CA 0.716 63.070 62.300 0.090 0.000 1.098 274 V CB 1.356 33.258 31.823 0.131 0.000 1.000 274 V HN 0.214 nan 8.190 nan 0.000 0.484 275 K N 2.416 122.951 120.400 0.225 0.000 2.358 275 K HA 0.679 4.999 4.320 -0.000 0.000 0.197 275 K C 0.234 176.996 176.600 0.271 0.000 1.025 275 K CA 0.769 57.209 56.287 0.254 0.000 1.104 275 K CB 0.931 33.590 32.500 0.265 0.000 0.855 275 K HN 1.075 nan 8.250 nan 0.000 0.531 276 A N 0.431 123.422 122.820 0.285 0.000 2.586 276 A HA 0.532 4.852 4.320 -0.000 0.000 0.291 276 A C -1.971 175.674 177.584 0.101 0.000 1.062 276 A CA -0.764 51.302 52.037 0.049 0.000 0.666 276 A CB 0.933 19.762 19.000 -0.286 0.000 1.281 276 A HN 0.068 nan 8.150 nan 0.000 0.421 277 L N 1.022 122.212 121.223 -0.055 0.000 2.319 277 L HA 0.536 4.876 4.340 -0.000 0.000 0.281 277 L C -1.514 175.258 176.870 -0.162 0.000 1.005 277 L CA -0.267 54.584 54.840 0.020 0.000 0.828 277 L CB 1.293 43.360 42.059 0.014 0.000 1.227 277 L HN 0.658 nan 8.230 nan 0.000 0.415 278 F N 3.590 123.445 119.950 -0.160 0.000 2.313 278 F HA 0.291 4.818 4.527 -0.000 0.000 0.369 278 F C 0.228 175.916 175.800 -0.187 0.000 1.109 278 F CA -0.552 57.320 58.000 -0.213 0.000 1.132 278 F CB 1.208 40.050 39.000 -0.264 0.000 1.291 278 F HN 0.026 nan 8.300 nan 0.000 0.496 279 V N 3.172 123.043 119.914 -0.071 0.000 2.385 279 V HA 0.187 4.307 4.120 -0.000 0.000 0.269 279 V C 0.353 176.399 176.094 -0.080 0.000 1.043 279 V CA -0.509 61.741 62.300 -0.083 0.000 0.906 279 V CB 0.905 32.679 31.823 -0.082 0.000 0.995 279 V HN 0.638 nan 8.190 nan 0.000 0.467 280 T N 4.792 119.277 114.554 -0.115 0.000 2.761 280 T HA 0.242 4.592 4.350 -0.000 0.000 0.296 280 T C 0.852 175.576 174.700 0.040 0.000 0.934 280 T CA -0.113 61.959 62.100 -0.045 0.000 1.091 280 T CB 1.181 69.948 68.868 -0.167 0.000 0.896 280 T HN 0.734 nan 8.240 nan 0.000 0.515 281 V N 0.102 120.028 119.914 0.021 0.000 3.477 281 V HA 0.247 4.367 4.120 -0.000 0.000 0.297 281 V C 0.875 176.970 176.094 0.002 0.000 1.433 281 V CA -0.201 62.083 62.300 -0.025 0.000 1.052 281 V CB -0.031 31.712 31.823 -0.133 0.000 0.895 281 V HN 0.758 nan 8.190 nan 0.000 0.438 282 D N 1.198 121.637 120.400 0.064 0.000 2.491 282 D HA 0.469 5.108 4.640 -0.000 0.000 0.228 282 D C 0.767 177.060 176.300 -0.012 0.000 1.183 282 D CA 0.507 54.536 54.000 0.049 0.000 0.827 282 D CB 0.681 41.541 40.800 0.101 0.000 0.989 282 D HN 0.535 nan 8.370 nan 0.000 0.494 283 A N 0.894 123.706 122.820 -0.012 0.000 2.573 283 A HA 0.326 4.645 4.320 -0.000 0.000 0.269 283 A C -1.466 176.064 177.584 -0.089 0.000 0.901 283 A CA -0.579 51.404 52.037 -0.090 0.000 1.066 283 A CB 0.489 19.424 19.000 -0.108 0.000 1.221 283 A HN 0.042 nan 8.150 nan 0.000 0.483 284 P HA -0.093 nan 4.420 nan 0.000 0.216 284 P C 0.781 178.042 177.300 -0.064 0.000 1.150 284 P CA 1.425 64.488 63.100 -0.061 0.000 0.843 284 P CB 0.289 31.963 31.700 -0.043 0.000 0.787 285 S N -1.104 114.560 115.700 -0.059 0.000 2.503 285 S HA 0.499 4.969 4.470 -0.000 0.000 0.301 285 S C -0.812 173.745 174.600 -0.072 0.000 1.087 285 S CA -0.873 57.295 58.200 -0.053 0.000 1.042 285 S CB 0.517 63.699 63.200 -0.030 0.000 1.043 285 S HN -0.075 nan 8.310 nan 0.000 0.489 286 L N 4.432 125.615 121.223 -0.066 0.000 2.281 286 L HA 0.574 4.914 4.340 -0.000 0.000 0.285 286 L C 1.000 177.838 176.870 -0.054 0.000 1.074 286 L CA -0.077 54.716 54.840 -0.078 0.000 0.817 286 L CB 0.344 42.371 42.059 -0.053 0.000 1.168 286 L HN 0.820 nan 8.230 nan 0.000 0.434 287 G N 3.406 112.161 108.800 -0.074 0.000 2.474 287 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.233 287 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.233 287 G C -0.301 174.592 174.900 -0.013 0.000 1.278 287 G CA -0.281 44.793 45.100 -0.044 0.000 0.861 287 G HN 0.749 nan 8.290 nan 0.000 0.567 288 Q N 1.340 121.141 119.800 0.003 0.000 2.441 288 Q HA 0.261 4.601 4.340 -0.000 0.000 0.234 288 Q C 0.030 176.042 176.000 0.019 0.000 1.078 288 Q CA -0.379 55.435 55.803 0.018 0.000 0.907 288 Q CB 0.205 28.961 28.738 0.029 0.000 1.269 288 Q HN 0.508 nan 8.270 nan 0.000 0.502 289 R N 3.552 124.062 120.500 0.017 0.000 2.215 289 R HA 0.149 4.488 4.340 -0.000 0.000 0.337 289 R C -0.046 176.264 176.300 0.016 0.000 1.010 289 R CA -0.245 55.859 56.100 0.007 0.000 0.871 289 R CB 0.917 31.214 30.300 -0.005 0.000 1.134 289 R HN 0.699 nan 8.270 nan 0.000 0.477 290 E N 1.812 122.027 120.200 0.024 0.000 2.371 290 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 290 E C 0.780 177.401 176.600 0.035 0.000 1.012 290 E CA 0.592 57.019 56.400 0.045 0.000 0.860 290 E CB 0.326 30.065 29.700 0.064 0.000 0.811 290 E HN 0.398 nan 8.360 nan 0.000 0.502 291 K N 0.927 121.336 120.400 0.014 0.000 2.148 291 K HA -0.116 4.203 4.320 -0.000 0.000 0.204 291 K C 1.646 178.238 176.600 -0.014 0.000 1.050 291 K CA 0.948 57.240 56.287 0.009 0.000 0.942 291 K CB 0.085 32.579 32.500 -0.011 0.000 0.724 291 K HN 0.051 nan 8.250 nan 0.000 0.446 292 D N 1.071 121.458 120.400 -0.021 0.000 2.091 292 D HA -0.049 4.591 4.640 -0.000 0.000 0.199 292 D C 1.939 178.174 176.300 -0.108 0.000 0.980 292 D CA 1.073 55.052 54.000 -0.035 0.000 0.831 292 D CB 0.115 40.925 40.800 0.016 0.000 0.987 292 D HN 0.110 nan 8.370 nan 0.000 0.460 293 M N 0.239 119.781 119.600 -0.097 0.000 2.149 293 M HA -0.168 4.311 4.480 -0.000 0.000 0.261 293 M C 2.056 178.057 176.300 -0.498 0.000 1.064 293 M CA 1.166 56.346 55.300 -0.201 0.000 1.102 293 M CB -0.165 32.445 32.600 0.016 0.000 1.369 293 M HN -0.188 nan 8.290 nan 0.000 0.408 294 K N 0.192 120.480 120.400 -0.186 0.000 2.589 294 K HA -0.084 4.235 4.320 -0.000 0.000 0.192 294 K C 1.254 177.746 176.600 -0.180 0.000 1.029 294 K CA 0.302 56.552 56.287 -0.061 0.000 1.031 294 K CB 0.252 32.798 32.500 0.076 0.000 0.821 294 K HN 0.139 nan 8.250 nan 0.000 0.502 295 L N 0.097 121.127 121.223 -0.321 0.000 2.435 295 L HA 0.058 4.398 4.340 -0.000 0.000 0.195 295 L C 1.414 178.114 176.870 -0.284 0.000 1.072 295 L CA 1.156 55.873 54.840 -0.205 0.000 0.833 295 L CB -0.376 41.608 42.059 -0.124 0.000 1.081 295 L HN -0.084 nan 8.230 nan 0.000 0.485 296 K N 1.035 121.177 120.400 -0.430 0.000 2.049 296 K HA -0.198 4.122 4.320 -0.000 0.000 0.219 296 K C 1.146 177.593 176.600 -0.254 0.000 1.056 296 K CA 1.469 57.542 56.287 -0.358 0.000 0.946 296 K CB -1.507 30.761 32.500 -0.387 0.000 0.723 296 K HN 0.252 nan 8.250 nan 0.000 0.453 319 S N 1.022 116.726 115.700 0.007 0.000 2.474 319 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 319 S C 2.081 176.684 174.600 0.005 0.000 0.997 319 S CA 1.182 59.385 58.200 0.005 0.000 0.949 319 S CB -0.382 62.821 63.200 0.005 0.000 0.766 319 S HN 0.672 nan 8.310 nan 0.000 0.517 320 R N 2.137 122.642 120.500 0.008 0.000 2.073 320 R HA 0.034 4.374 4.340 -0.000 0.000 0.234 320 R C 1.927 178.231 176.300 0.006 0.000 1.134 320 R CA 1.712 57.817 56.100 0.009 0.000 0.952 320 R CB -0.784 29.525 30.300 0.015 0.000 0.850 320 R HN 0.313 nan 8.270 nan 0.000 0.433 321 A N 1.698 124.522 122.820 0.006 0.000 2.235 321 A HA 0.237 4.556 4.320 -0.000 0.000 0.208 321 A C 1.144 178.721 177.584 -0.011 0.000 1.172 321 A CA -0.018 52.018 52.037 -0.001 0.000 0.786 321 A CB -0.147 18.854 19.000 0.001 0.000 0.804 321 A HN 0.240 nan 8.150 nan 0.000 0.479 322 L N 0.002 121.220 121.223 -0.008 0.000 2.421 322 L HA 0.526 4.865 4.340 -0.000 0.000 0.263 322 L C 0.541 177.408 176.870 -0.004 0.000 1.122 322 L CA -0.180 54.652 54.840 -0.013 0.000 0.804 322 L CB 1.577 43.630 42.059 -0.009 0.000 1.150 322 L HN 0.325 nan 8.230 nan 0.000 0.457 323 S N 0.306 116.004 115.700 -0.004 0.000 2.567 323 S HA 0.268 4.738 4.470 -0.000 0.000 0.270 323 S C 0.023 174.642 174.600 0.031 0.000 1.152 323 S CA -0.777 57.435 58.200 0.020 0.000 0.835 323 S CB 1.771 64.996 63.200 0.041 0.000 1.115 323 S HN 0.527 nan 8.310 nan 0.000 0.459 324 K N 0.941 121.375 120.400 0.058 0.000 2.103 324 K HA 0.128 4.447 4.320 -0.000 0.000 0.207 324 K C 1.454 178.114 176.600 0.100 0.000 1.048 324 K CA 1.743 58.070 56.287 0.067 0.000 0.930 324 K CB -0.689 31.856 32.500 0.074 0.000 0.716 324 K HN 0.616 nan 8.250 nan 0.000 0.444 325 F N 0.077 120.005 119.950 -0.037 0.000 2.451 325 F HA 0.168 4.695 4.527 -0.000 0.000 0.299 325 F C -0.083 175.681 175.800 -0.060 0.000 1.101 325 F CA 0.613 58.592 58.000 -0.035 0.000 1.436 325 F CB 0.329 39.303 39.000 -0.042 0.000 1.074 325 F HN -0.178 nan 8.300 nan 0.000 0.553 326 I N 0.947 121.381 120.570 -0.227 0.000 2.503 326 I HA 0.144 4.313 4.170 -0.000 0.000 0.282 326 I C -1.035 174.991 176.117 -0.151 0.000 1.059 326 I CA -0.920 60.188 61.300 -0.320 0.000 1.081 326 I CB 1.082 38.812 38.000 -0.452 0.000 1.210 326 I HN -0.262 nan 8.210 nan 0.000 0.450 327 D N 9.091 129.428 120.400 -0.106 0.000 2.343 327 D HA 0.184 4.824 4.640 -0.000 0.000 0.255 327 D C -1.538 174.728 176.300 -0.056 0.000 1.187 327 D CA -1.995 51.968 54.000 -0.061 0.000 0.875 327 D CB 1.530 42.303 40.800 -0.045 0.000 1.136 327 D HN 0.224 nan 8.370 nan 0.000 0.469 328 P HA -0.017 nan 4.420 nan 0.000 0.236 328 P C 0.553 177.832 177.300 -0.036 0.000 1.177 328 P CA 0.339 63.414 63.100 -0.042 0.000 0.773 328 P CB 0.094 31.775 31.700 -0.032 0.000 0.878 329 S N -0.953 114.728 115.700 -0.031 0.000 2.679 329 S HA 0.129 4.599 4.470 -0.000 0.000 0.233 329 S C 0.659 175.235 174.600 -0.040 0.000 0.951 329 S CA -0.562 57.622 58.200 -0.027 0.000 0.973 329 S CB -0.825 62.366 63.200 -0.015 0.000 0.778 329 S HN 0.020 nan 8.310 nan 0.000 0.477 330 L N 2.675 123.862 121.223 -0.061 0.000 2.453 330 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 330 L C -0.295 176.500 176.870 -0.124 0.000 1.182 330 L CA 0.799 55.589 54.840 -0.083 0.000 0.858 330 L CB 0.943 42.946 42.059 -0.093 0.000 1.120 330 L HN 0.340 nan 8.230 nan 0.000 0.474 331 T N 2.544 117.029 114.554 -0.115 0.000 2.901 331 T HA 0.173 4.522 4.350 -0.000 0.000 0.293 331 T C 0.528 175.153 174.700 -0.125 0.000 1.084 331 T CA -0.389 61.641 62.100 -0.117 0.000 1.008 331 T CB 1.203 70.074 68.868 0.005 0.000 1.170 331 T HN 0.624 nan 8.240 nan 0.000 0.509 332 W N 0.846 122.147 121.300 0.000 0.000 2.325 332 W HA -0.087 4.573 4.660 -0.000 0.000 0.299 332 W C 2.515 179.031 176.519 -0.005 0.000 1.215 332 W CA 0.728 58.071 57.345 -0.004 0.000 1.244 332 W CB 0.036 29.494 29.460 -0.004 0.000 1.140 332 W HN 0.482 nan 8.180 nan 0.000 0.523 333 K N 0.642 121.172 120.400 0.217 0.000 2.025 333 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 333 K C 1.453 178.097 176.600 0.073 0.000 1.049 333 K CA 1.705 58.067 56.287 0.125 0.000 0.933 333 K CB -0.786 31.769 32.500 0.092 0.000 0.714 333 K HN 0.104 nan 8.250 nan 0.000 0.438 334 D N 1.095 121.520 120.400 0.041 0.000 2.127 334 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 334 D C 1.956 178.261 176.300 0.008 0.000 1.000 334 D CA 1.142 55.148 54.000 0.009 0.000 0.839 334 D CB -0.168 40.619 40.800 -0.021 0.000 0.955 334 D HN 0.126 nan 8.370 nan 0.000 0.446 335 I N 1.339 121.909 120.570 -0.000 0.000 2.264 335 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 335 I C 2.321 178.462 176.117 0.039 0.000 1.111 335 I CA 1.062 62.364 61.300 0.003 0.000 1.382 335 I CB -1.073 36.919 38.000 -0.014 0.000 1.060 335 I HN 0.122 nan 8.210 nan 0.000 0.418 336 E N 0.337 120.581 120.200 0.074 0.000 2.077 336 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 336 E C 2.054 178.675 176.600 0.035 0.000 0.989 336 E CA 1.021 57.459 56.400 0.063 0.000 0.800 336 E CB 0.109 29.854 29.700 0.075 0.000 0.746 336 E HN 0.400 nan 8.360 nan 0.000 0.452 337 E N 0.629 120.847 120.200 0.029 0.000 2.106 337 E HA -0.145 4.204 4.350 -0.000 0.000 0.192 337 E C 2.161 178.767 176.600 0.010 0.000 0.984 337 E CA 0.363 56.773 56.400 0.017 0.000 0.806 337 E CB -0.247 29.462 29.700 0.016 0.000 0.750 337 E HN 0.308 nan 8.360 nan 0.000 0.458 338 L N 1.234 122.461 121.223 0.006 0.000 2.079 338 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 338 L C 2.501 179.369 176.870 -0.003 0.000 1.081 338 L CA 1.540 56.380 54.840 -0.001 0.000 0.752 338 L CB -0.191 41.862 42.059 -0.010 0.000 0.896 338 L HN 0.105 nan 8.230 nan 0.000 0.433 339 K N 0.151 120.551 120.400 0.000 0.000 2.097 339 K HA -0.209 4.110 4.320 -0.000 0.000 0.205 339 K C 2.031 178.630 176.600 -0.002 0.000 1.050 339 K CA 1.213 57.498 56.287 -0.003 0.000 0.938 339 K CB 0.044 32.546 32.500 0.003 0.000 0.718 339 K HN 0.235 nan 8.250 nan 0.000 0.442 340 K N 0.456 120.857 120.400 0.003 0.000 2.057 340 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 340 K C 1.752 178.352 176.600 0.000 0.000 1.050 340 K CA 1.411 57.699 56.287 0.002 0.000 0.935 340 K CB 0.083 32.586 32.500 0.005 0.000 0.715 340 K HN -0.056 nan 8.250 nan 0.000 0.439 341 K N 0.108 120.508 120.400 0.000 0.000 2.555 341 K HA 0.039 4.359 4.320 -0.000 0.000 0.193 341 K C 0.157 176.755 176.600 -0.003 0.000 1.032 341 K CA 0.440 56.727 56.287 -0.001 0.000 1.004 341 K CB 0.553 33.053 32.500 0.000 0.000 0.804 341 K HN -0.003 nan 8.250 nan 0.000 0.496 342 T N -1.133 113.418 114.554 -0.004 0.000 2.932 342 T HA 0.266 4.616 4.350 -0.000 0.000 0.318 342 T C -0.312 174.384 174.700 -0.007 0.000 1.265 342 T CA -0.868 61.228 62.100 -0.006 0.000 1.036 342 T CB 0.925 69.788 68.868 -0.007 0.000 1.209 342 T HN 0.089 nan 8.240 nan 0.000 0.484 343 K N 2.884 123.281 120.400 -0.005 0.000 2.426 343 K HA 0.380 4.699 4.320 -0.000 0.000 0.193 343 K C 0.675 177.272 176.600 -0.005 0.000 1.028 343 K CA 0.145 56.430 56.287 -0.004 0.000 1.047 343 K CB 0.058 32.558 32.500 0.000 0.000 0.821 343 K HN 0.361 nan 8.250 nan 0.000 0.513 344 L N 3.523 124.742 121.223 -0.006 0.000 2.380 344 L HA 0.232 4.571 4.340 -0.000 0.000 0.273 344 L C -2.036 174.813 176.870 -0.035 0.000 1.138 344 L CA -2.350 52.486 54.840 -0.007 0.000 0.832 344 L CB 0.365 42.427 42.059 0.004 0.000 1.124 344 L HN 0.027 nan 8.230 nan 0.000 0.454 345 P HA 0.101 nan 4.420 nan 0.000 0.265 345 P C -0.622 176.575 177.300 -0.171 0.000 1.193 345 P CA 0.330 63.370 63.100 -0.099 0.000 0.765 345 P CB 0.626 32.264 31.700 -0.104 0.000 0.823 346 I N 2.687 123.150 120.570 -0.178 0.000 2.404 346 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 346 I C -0.274 175.655 176.117 -0.313 0.000 0.992 346 I CA -0.992 60.176 61.300 -0.220 0.000 1.149 346 I CB 2.028 39.953 38.000 -0.124 0.000 1.315 346 I HN -0.024 nan 8.210 nan 0.000 0.446 347 V N 7.420 127.033 119.914 -0.501 0.000 2.487 347 V HA 0.391 4.510 4.120 -0.000 0.000 0.298 347 V C 0.085 175.978 176.094 -0.336 0.000 1.028 347 V CA -0.560 61.408 62.300 -0.553 0.000 0.860 347 V CB 2.043 33.141 31.823 -1.208 0.000 0.991 347 V HN 0.465 nan 8.190 nan 0.000 0.427 348 I N 5.233 125.707 120.570 -0.160 0.000 2.347 348 I HA 0.264 4.433 4.170 -0.000 0.000 0.294 348 I C 0.495 176.596 176.117 -0.026 0.000 1.090 348 I CA 0.098 61.346 61.300 -0.086 0.000 1.314 348 I CB 0.383 38.358 38.000 -0.043 0.000 1.423 348 I HN 0.495 nan 8.210 nan 0.000 0.503 349 K N 5.956 126.354 120.400 -0.003 0.000 2.264 349 K HA 0.491 4.811 4.320 -0.000 0.000 0.277 349 K C 0.421 177.061 176.600 0.067 0.000 1.067 349 K CA -0.136 56.198 56.287 0.078 0.000 0.900 349 K CB 0.859 33.436 32.500 0.127 0.000 1.124 349 K HN 0.879 nan 8.250 nan 0.000 0.469 350 G N 2.457 111.310 108.800 0.088 0.000 2.165 350 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.144 350 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.144 350 G C -0.575 174.373 174.900 0.079 0.000 1.049 350 G CA -0.590 44.568 45.100 0.096 0.000 0.741 350 G HN 0.455 nan 8.290 nan 0.000 0.493 351 V N 0.653 120.618 119.914 0.085 0.000 2.530 351 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 351 V C 0.969 177.116 176.094 0.088 0.000 1.048 351 V CA 0.451 62.806 62.300 0.091 0.000 0.997 351 V CB 1.520 33.407 31.823 0.107 0.000 0.987 351 V HN 0.473 nan 8.190 nan 0.000 0.477 352 Q N 4.496 124.347 119.800 0.084 0.000 2.135 352 Q HA 0.335 4.675 4.340 -0.000 0.000 0.222 352 Q C 0.097 176.137 176.000 0.067 0.000 0.808 352 Q CA -0.200 55.648 55.803 0.073 0.000 1.049 352 Q CB 0.733 29.514 28.738 0.071 0.000 1.168 352 Q HN 0.829 nan 8.270 nan 0.000 0.483 353 R N -2.681 117.861 120.500 0.071 0.000 2.687 353 R HA 0.332 4.671 4.340 -0.000 0.000 0.265 353 R C -0.377 175.959 176.300 0.059 0.000 1.048 353 R CA -0.577 55.559 56.100 0.060 0.000 0.884 353 R CB 0.255 30.591 30.300 0.061 0.000 1.258 353 R HN -0.228 nan 8.270 nan 0.000 0.469 354 T N 1.129 115.708 114.554 0.041 0.000 2.788 354 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 354 T C 1.044 175.760 174.700 0.027 0.000 1.044 354 T CA 2.128 64.246 62.100 0.030 0.000 1.139 354 T CB -0.149 68.729 68.868 0.016 0.000 0.867 354 T HN 0.619 nan 8.240 nan 0.000 0.454 355 E N 1.294 121.511 120.200 0.028 0.000 2.070 355 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 355 E C 1.964 178.576 176.600 0.020 0.000 1.004 355 E CA 1.415 57.823 56.400 0.014 0.000 0.805 355 E CB -0.164 29.548 29.700 0.021 0.000 0.744 355 E HN 0.377 nan 8.360 nan 0.000 0.451 356 D N -0.524 119.933 120.400 0.095 0.000 2.317 356 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 356 D C 1.787 178.196 176.300 0.182 0.000 0.966 356 D CA 0.372 54.495 54.000 0.205 0.000 0.876 356 D CB 0.133 41.136 40.800 0.339 0.000 0.927 356 D HN 0.043 nan 8.370 nan 0.000 0.519 357 V N 1.421 121.395 119.914 0.100 0.000 2.427 357 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 357 V C 2.469 178.573 176.094 0.016 0.000 1.051 357 V CA 0.959 63.301 62.300 0.070 0.000 1.048 357 V CB -0.215 31.633 31.823 0.041 0.000 0.666 357 V HN 0.218 nan 8.190 nan 0.000 0.456 358 I N -0.085 120.472 120.570 -0.023 0.000 2.163 358 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 358 I C 2.504 178.536 176.117 -0.141 0.000 1.081 358 I CA 1.512 62.772 61.300 -0.067 0.000 1.353 358 I CB -0.925 37.034 38.000 -0.068 0.000 1.054 358 I HN 0.284 nan 8.210 nan 0.000 0.407 359 K N 1.256 121.507 120.400 -0.248 0.000 2.144 359 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 359 K C 2.166 178.489 176.600 -0.462 0.000 1.047 359 K CA 1.927 57.875 56.287 -0.565 0.000 0.927 359 K CB -0.307 31.528 32.500 -1.109 0.000 0.716 359 K HN 0.405 nan 8.250 nan 0.000 0.454 360 A N 1.049 123.799 122.820 -0.117 0.000 1.930 360 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 360 A C 2.318 179.918 177.584 0.027 0.000 1.176 360 A CA 1.229 53.337 52.037 0.119 0.000 0.632 360 A CB -0.410 18.733 19.000 0.237 0.000 0.819 360 A HN 0.306 nan 8.150 nan 0.000 0.445 361 A N -0.093 122.716 122.820 -0.017 0.000 2.070 361 A HA -0.143 4.176 4.320 -0.000 0.000 0.220 361 A C 1.869 179.426 177.584 -0.045 0.000 1.159 361 A CA 1.639 53.659 52.037 -0.029 0.000 0.656 361 A CB -0.360 18.619 19.000 -0.035 0.000 0.800 361 A HN 0.652 nan 8.150 nan 0.000 0.453 362 E N -0.260 119.893 120.200 -0.079 0.000 2.060 362 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 362 E C 1.769 178.331 176.600 -0.063 0.000 0.974 362 E CA 1.069 57.415 56.400 -0.090 0.000 0.808 362 E CB -0.308 29.305 29.700 -0.144 0.000 0.768 362 E HN 0.862 nan 8.360 nan 0.000 0.453 363 I N -1.509 119.030 120.570 -0.051 0.000 3.241 363 I HA 0.157 4.326 4.170 -0.000 0.000 0.280 363 I C 1.127 177.253 176.117 0.016 0.000 1.320 363 I CA 0.710 62.015 61.300 0.008 0.000 1.413 363 I CB -0.685 37.368 38.000 0.088 0.000 1.060 363 I HN 0.118 nan 8.210 nan 0.000 0.500 364 G N 1.347 110.147 108.800 0.000 0.000 2.221 364 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.265 364 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.265 364 G C 0.172 175.070 174.900 -0.002 0.000 1.041 364 G CA 0.336 45.434 45.100 -0.004 0.000 0.807 364 G HN 0.378 nan 8.290 nan 0.000 0.502 365 V N 0.046 119.966 119.914 0.009 0.000 3.133 365 V HA 0.401 4.521 4.120 -0.000 0.000 0.305 365 V C 1.858 177.932 176.094 -0.033 0.000 1.084 365 V CA 0.815 63.111 62.300 -0.007 0.000 1.089 365 V CB 1.545 33.380 31.823 0.020 0.000 1.073 365 V HN 0.430 nan 8.190 nan 0.000 0.477 366 S N 1.790 117.450 115.700 -0.066 0.000 2.447 366 S HA 0.211 4.681 4.470 -0.000 0.000 0.233 366 S C 0.513 175.071 174.600 -0.070 0.000 1.006 366 S CA 0.795 58.951 58.200 -0.074 0.000 0.957 366 S CB 0.021 63.158 63.200 -0.105 0.000 0.773 366 S HN 1.222 nan 8.310 nan 0.000 0.507 367 G N -0.679 108.075 108.800 -0.078 0.000 2.325 367 G HA2 0.469 4.429 3.960 -0.000 0.000 0.295 367 G HA3 0.469 4.429 3.960 -0.000 0.000 0.295 367 G C -2.100 172.781 174.900 -0.031 0.000 1.274 367 G CA -0.375 44.699 45.100 -0.043 0.000 0.857 367 G HN 0.164 nan 8.290 nan 0.000 0.499 368 V N -0.885 119.061 119.914 0.053 0.000 3.023 368 V HA 0.564 4.684 4.120 -0.000 0.000 0.294 368 V C -0.994 175.223 176.094 0.205 0.000 1.324 368 V CA -0.578 61.770 62.300 0.080 0.000 0.979 368 V CB 2.155 34.018 31.823 0.066 0.000 1.093 368 V HN 0.970 nan 8.190 nan 0.000 0.434 369 V N 6.207 126.244 119.914 0.205 0.000 2.370 369 V HA 0.481 4.601 4.120 -0.000 0.000 0.283 369 V C -0.021 176.186 176.094 0.189 0.000 1.023 369 V CA -0.611 61.859 62.300 0.283 0.000 0.857 369 V CB 1.502 33.502 31.823 0.296 0.000 0.985 369 V HN 0.651 nan 8.190 nan 0.000 0.443 370 L N 4.485 125.812 121.223 0.173 0.000 2.369 370 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 370 L C 0.398 177.347 176.870 0.132 0.000 1.108 370 L CA 0.678 55.594 54.840 0.126 0.000 0.852 370 L CB 0.868 42.984 42.059 0.096 0.000 1.169 370 L HN 0.779 nan 8.230 nan 0.000 0.452 371 S N 2.796 118.565 115.700 0.115 0.000 2.556 371 S HA 0.288 4.757 4.470 -0.000 0.000 0.280 371 S C -0.574 174.090 174.600 0.107 0.000 1.141 371 S CA -0.928 57.339 58.200 0.112 0.000 0.883 371 S CB 1.266 64.537 63.200 0.118 0.000 1.103 371 S HN 0.803 nan 8.310 nan 0.000 0.453 372 N N 2.338 121.102 118.700 0.107 0.000 2.433 372 N HA 0.146 4.886 4.740 -0.000 0.000 0.270 372 N C -0.046 175.568 175.510 0.173 0.000 1.354 372 N CA -0.288 52.833 53.050 0.118 0.000 0.889 372 N CB -0.053 38.484 38.487 0.084 0.000 1.285 372 N HN 0.898 nan 8.380 nan 0.000 0.503 373 H N 0.643 119.732 119.070 0.032 0.000 2.931 373 H HA -0.129 4.426 4.556 -0.001 0.000 0.290 373 H C 1.123 176.437 175.328 -0.022 0.000 1.264 373 H CA 0.964 57.019 56.048 0.012 0.000 1.140 373 H CB -1.417 28.357 29.762 0.021 0.000 1.343 373 H HN 0.674 nan 8.280 nan 0.000 0.403 374 G N -0.520 108.296 108.800 0.027 0.000 2.225 374 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.267 374 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.267 374 G C 1.365 176.260 174.900 -0.008 0.000 1.024 374 G CA 1.249 46.347 45.100 -0.002 0.000 0.784 374 G HN 1.889 nan 8.290 nan 0.000 0.507 375 G N -1.499 107.335 108.800 0.056 0.000 2.212 375 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.255 375 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.255 375 G C 0.585 175.481 174.900 -0.007 0.000 1.062 375 G CA 0.981 46.110 45.100 0.049 0.000 0.815 375 G HN 1.053 nan 8.290 nan 0.000 0.497 376 R N -1.368 119.146 120.500 0.023 0.000 2.476 376 R HA 0.217 4.556 4.340 -0.000 0.000 0.276 376 R C 1.851 178.135 176.300 -0.027 0.000 0.941 376 R CA 0.183 56.281 56.100 -0.004 0.000 1.088 376 R CB 0.221 30.557 30.300 0.060 0.000 1.216 376 R HN 0.380 nan 8.270 nan 0.000 0.533 377 Q N -0.049 119.738 119.800 -0.020 0.000 2.558 377 Q HA 0.223 4.563 4.340 -0.000 0.000 0.186 377 Q C 0.088 176.084 176.000 -0.006 0.000 0.894 377 Q CA 0.130 55.904 55.803 -0.050 0.000 0.830 377 Q CB 0.185 28.873 28.738 -0.083 0.000 1.107 377 Q HN 0.099 nan 8.270 nan 0.000 0.620 378 L N 3.238 124.471 121.223 0.016 0.000 2.262 378 L HA 0.292 4.632 4.340 -0.000 0.000 0.288 378 L C -0.830 176.067 176.870 0.044 0.000 1.035 378 L CA -0.227 54.638 54.840 0.041 0.000 0.820 378 L CB 1.000 43.090 42.059 0.052 0.000 1.204 378 L HN 0.204 nan 8.230 nan 0.000 0.424 379 D N 3.813 124.243 120.400 0.051 0.000 2.399 379 D HA 0.110 4.750 4.640 -0.000 0.000 0.241 379 D C 0.409 176.768 176.300 0.098 0.000 1.133 379 D CA 0.571 54.557 54.000 -0.023 0.000 0.890 379 D CB 0.482 41.273 40.800 -0.016 0.000 1.201 379 D HN 0.481 nan 8.370 nan 0.000 0.432 380 F N -0.534 119.438 119.950 0.036 0.000 2.884 380 F HA -0.261 4.266 4.527 -0.001 0.000 0.294 380 F C 0.985 176.803 175.800 0.031 0.000 0.723 380 F CA 0.482 58.500 58.000 0.031 0.000 1.294 380 F CB -1.964 37.051 39.000 0.025 0.000 1.551 380 F HN 0.157 nan 8.300 nan 0.000 0.363 381 S N 0.626 116.377 115.700 0.086 0.000 2.562 381 S HA 0.440 4.910 4.470 -0.000 0.000 0.281 381 S C 0.781 175.412 174.600 0.052 0.000 1.333 381 S CA -0.503 57.742 58.200 0.074 0.000 1.052 381 S CB 0.663 63.898 63.200 0.059 0.000 0.884 381 S HN 0.290 nan 8.310 nan 0.000 0.506 382 R N 1.959 122.494 120.500 0.058 0.000 2.694 382 R HA 0.288 4.628 4.340 -0.000 0.000 0.268 382 R C 0.469 176.780 176.300 0.017 0.000 1.061 382 R CA 0.021 56.143 56.100 0.037 0.000 1.133 382 R CB 0.197 30.518 30.300 0.035 0.000 1.020 382 R HN 0.759 nan 8.270 nan 0.000 0.475 383 A N 4.538 127.354 122.820 -0.007 0.000 2.553 383 A HA 0.055 4.375 4.320 -0.000 0.000 0.258 383 A C -1.512 176.048 177.584 -0.040 0.000 1.069 383 A CA -0.984 51.032 52.037 -0.035 0.000 0.767 383 A CB -0.146 18.802 19.000 -0.088 0.000 0.997 383 A HN 0.549 nan 8.150 nan 0.000 0.512 384 P HA -0.239 nan 4.420 nan 0.000 0.218 384 P C 1.467 178.738 177.300 -0.049 0.000 1.154 384 P CA 1.270 64.373 63.100 0.005 0.000 0.872 384 P CB 0.053 31.788 31.700 0.058 0.000 0.790 385 I N -0.189 120.278 120.570 -0.172 0.000 2.264 385 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 385 I C 2.187 178.209 176.117 -0.157 0.000 1.111 385 I CA 1.665 62.812 61.300 -0.255 0.000 1.382 385 I CB -0.681 36.883 38.000 -0.727 0.000 1.060 385 I HN -0.054 nan 8.210 nan 0.000 0.418 386 E N -0.440 119.679 120.200 -0.136 0.000 2.072 386 E HA -0.167 4.182 4.350 -0.000 0.000 0.191 386 E C 2.187 178.766 176.600 -0.035 0.000 0.985 386 E CA 1.606 57.961 56.400 -0.075 0.000 0.801 386 E CB -0.025 29.640 29.700 -0.059 0.000 0.750 386 E HN 0.357 nan 8.360 nan 0.000 0.452 387 V N 1.728 121.630 119.914 -0.020 0.000 2.407 387 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 387 V C 2.457 178.553 176.094 0.003 0.000 1.055 387 V CA 1.389 63.691 62.300 0.003 0.000 1.049 387 V CB -0.509 31.327 31.823 0.021 0.000 0.662 387 V HN 0.438 nan 8.190 nan 0.000 0.455 388 L N 0.193 121.414 121.223 -0.002 0.000 2.013 388 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 388 L C 2.524 179.393 176.870 -0.001 0.000 1.073 388 L CA 2.313 57.156 54.840 0.004 0.000 0.753 388 L CB -0.573 41.491 42.059 0.007 0.000 0.890 388 L HN 0.409 nan 8.230 nan 0.000 0.432 389 A N 0.018 122.831 122.820 -0.012 0.000 1.968 389 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 389 A C 1.993 179.575 177.584 -0.003 0.000 1.169 389 A CA 1.362 53.394 52.037 -0.008 0.000 0.638 389 A CB -0.305 18.684 19.000 -0.018 0.000 0.812 389 A HN 0.718 nan 8.150 nan 0.000 0.446 390 E N -1.194 119.005 120.200 -0.003 0.000 2.140 390 E HA -0.062 4.287 4.350 -0.000 0.000 0.191 390 E C 1.694 178.295 176.600 0.003 0.000 0.973 390 E CA 1.325 57.726 56.400 0.001 0.000 0.829 390 E CB -0.771 28.930 29.700 0.002 0.000 0.781 390 E HN 0.272 nan 8.360 nan 0.000 0.466 391 T N 1.219 115.776 114.554 0.005 0.000 2.607 391 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 391 T C 1.755 176.455 174.700 -0.000 0.000 1.049 391 T CA 1.996 64.099 62.100 0.005 0.000 1.162 391 T CB -0.179 68.695 68.868 0.010 0.000 0.863 391 T HN 0.122 nan 8.240 nan 0.000 0.424 392 M N 0.626 120.225 119.600 -0.001 0.000 2.080 392 M HA -0.005 4.475 4.480 -0.000 0.000 0.260 392 M C -0.672 175.626 176.300 -0.004 0.000 1.068 392 M CA 1.294 56.592 55.300 -0.005 0.000 1.109 392 M CB -2.564 30.035 32.600 -0.003 0.000 1.342 392 M HN 0.134 nan 8.290 nan 0.000 0.405 393 P HA -0.146 nan 4.420 nan 0.000 0.216 393 P C 1.872 179.170 177.300 -0.003 0.000 1.157 393 P CA 1.388 64.488 63.100 -0.000 0.000 0.880 393 P CB -0.198 31.503 31.700 0.002 0.000 0.791 394 I N -1.325 119.242 120.570 -0.004 0.000 2.194 394 I HA -0.249 3.921 4.170 -0.000 0.000 0.246 394 I C 2.294 178.405 176.117 -0.010 0.000 1.093 394 I CA 1.350 62.646 61.300 -0.007 0.000 1.355 394 I CB -0.682 37.315 38.000 -0.006 0.000 1.046 394 I HN -0.097 nan 8.210 nan 0.000 0.413 395 L N 0.026 121.243 121.223 -0.011 0.000 2.261 395 L HA -0.236 4.103 4.340 -0.000 0.000 0.216 395 L C 2.304 179.166 176.870 -0.014 0.000 1.114 395 L CA 1.279 56.110 54.840 -0.015 0.000 0.777 395 L CB -0.479 41.569 42.059 -0.018 0.000 0.910 395 L HN 0.320 nan 8.230 nan 0.000 0.440 396 E N -0.299 119.895 120.200 -0.010 0.000 2.024 396 E HA -0.203 4.146 4.350 -0.000 0.000 0.190 396 E C 2.025 178.619 176.600 -0.009 0.000 0.974 396 E CA 0.485 56.880 56.400 -0.008 0.000 0.810 396 E CB -0.057 29.640 29.700 -0.005 0.000 0.775 396 E HN 0.202 nan 8.360 nan 0.000 0.453 397 Q N 0.162 119.958 119.800 -0.008 0.000 2.388 397 Q HA -0.210 4.130 4.340 -0.000 0.000 0.216 397 Q C 0.527 176.520 176.000 -0.011 0.000 0.997 397 Q CA 1.557 57.355 55.803 -0.008 0.000 0.923 397 Q CB 0.102 28.835 28.738 -0.008 0.000 0.922 397 Q HN 0.114 nan 8.270 nan 0.000 0.435 398 R N -0.008 120.484 120.500 -0.014 0.000 2.629 398 R HA 0.139 4.479 4.340 -0.000 0.000 0.408 398 R C -0.309 175.980 176.300 -0.017 0.000 1.057 398 R CA 0.299 56.388 56.100 -0.017 0.000 1.119 398 R CB -0.383 29.904 30.300 -0.021 0.000 1.403 398 R HN 0.213 nan 8.270 nan 0.000 0.576 399 N N 1.545 120.236 118.700 -0.015 0.000 2.718 399 N HA -0.205 4.535 4.740 -0.000 0.000 0.268 399 N C -0.304 175.196 175.510 -0.017 0.000 0.965 399 N CA 0.779 53.821 53.050 -0.014 0.000 0.817 399 N CB -1.653 36.827 38.487 -0.012 0.000 0.914 399 N HN 0.487 nan 8.380 nan 0.000 0.558 400 L N -1.896 119.315 121.223 -0.019 0.000 2.928 400 L HA 0.273 4.613 4.340 -0.000 0.000 0.246 400 L C 1.895 178.751 176.870 -0.023 0.000 1.239 400 L CA -0.562 54.264 54.840 -0.022 0.000 1.035 400 L CB 0.140 42.184 42.059 -0.026 0.000 1.360 400 L HN 0.059 nan 8.230 nan 0.000 0.529 401 K N 1.449 121.837 120.400 -0.020 0.000 1.991 401 K HA -0.147 4.173 4.320 -0.000 0.000 0.212 401 K C 0.720 177.304 176.600 -0.027 0.000 1.049 401 K CA 1.832 58.106 56.287 -0.021 0.000 0.932 401 K CB 0.019 32.510 32.500 -0.015 0.000 0.717 401 K HN 0.229 nan 8.250 nan 0.000 0.441 402 D N -0.241 120.145 120.400 -0.024 0.000 2.892 402 D HA 0.076 4.716 4.640 -0.000 0.000 0.291 402 D C 0.189 176.474 176.300 -0.025 0.000 1.341 402 D CA 0.029 54.013 54.000 -0.026 0.000 0.844 402 D CB 0.637 41.427 40.800 -0.016 0.000 1.093 402 D HN 0.262 nan 8.370 nan 0.000 0.480 403 K N 0.427 120.810 120.400 -0.029 0.000 2.374 403 K HA 0.196 4.515 4.320 -0.000 0.000 0.202 403 K C -0.363 176.218 176.600 -0.032 0.000 1.040 403 K CA -0.040 56.231 56.287 -0.026 0.000 1.085 403 K CB 0.994 33.480 32.500 -0.024 0.000 0.873 403 K HN -0.004 nan 8.250 nan 0.000 0.539 404 L N 1.465 122.661 121.223 -0.044 0.000 2.751 404 L HA 0.229 4.569 4.340 -0.000 0.000 0.261 404 L C -1.883 174.931 176.870 -0.093 0.000 0.927 404 L CA -0.308 54.499 54.840 -0.054 0.000 0.968 404 L CB 1.964 44.000 42.059 -0.039 0.000 1.432 404 L HN -0.011 nan 8.230 nan 0.000 0.439 405 E N 4.175 124.296 120.200 -0.131 0.000 2.229 405 E HA 0.460 4.810 4.350 -0.000 0.000 0.283 405 E C -1.016 175.340 176.600 -0.407 0.000 1.030 405 E CA -0.665 55.560 56.400 -0.291 0.000 0.836 405 E CB 2.197 31.715 29.700 -0.302 0.000 1.068 405 E HN 0.315 nan 8.360 nan 0.000 0.401 406 V N 5.201 124.846 119.914 -0.449 0.000 2.328 406 V HA 0.269 4.389 4.120 -0.000 0.000 0.278 406 V C -0.441 175.406 176.094 -0.411 0.000 1.021 406 V CA -0.527 61.603 62.300 -0.283 0.000 0.838 406 V CB -0.256 31.498 31.823 -0.115 0.000 0.999 406 V HN 0.499 nan 8.190 nan 0.000 0.447 407 F N 3.648 123.657 119.950 0.099 0.000 2.375 407 F HA 0.778 5.305 4.527 -0.000 0.000 0.317 407 F C 0.320 176.236 175.800 0.193 0.000 1.124 407 F CA -0.798 57.319 58.000 0.195 0.000 1.050 407 F CB 1.457 40.618 39.000 0.269 0.000 1.314 407 F HN 0.235 nan 8.300 nan 0.000 0.511 408 V N 0.664 120.846 119.914 0.446 0.000 2.969 408 V HA 0.491 4.611 4.120 -0.000 0.000 0.304 408 V C -1.765 174.471 176.094 0.236 0.000 1.192 408 V CA -0.427 62.040 62.300 0.278 0.000 0.962 408 V CB 2.113 34.064 31.823 0.214 0.000 1.045 408 V HN 0.933 nan 8.190 nan 0.000 0.428 409 D N 3.211 123.717 120.400 0.176 0.000 2.643 409 D HA 0.735 5.374 4.640 -0.000 0.000 0.283 409 D C -0.283 176.085 176.300 0.114 0.000 1.242 409 D CA 0.195 54.256 54.000 0.101 0.000 0.863 409 D CB 1.672 42.498 40.800 0.043 0.000 1.382 409 D HN 1.715 nan 8.370 nan 0.000 0.444 410 G N -1.399 107.453 108.800 0.087 0.000 3.439 410 G HA2 0.451 4.411 3.960 -0.000 0.000 0.686 410 G HA3 0.451 4.411 3.960 -0.000 0.000 0.686 410 G C 0.804 175.822 174.900 0.196 0.000 1.075 410 G CA 0.543 45.718 45.100 0.124 0.000 0.926 410 G HN 1.918 nan 8.290 nan 0.000 0.485 411 G N -0.677 108.231 108.800 0.180 0.000 2.148 411 G HA2 0.017 3.976 3.960 -0.000 0.000 0.254 411 G HA3 0.017 3.976 3.960 -0.000 0.000 0.254 411 G C 0.621 175.647 174.900 0.210 0.000 0.981 411 G CA 0.665 45.915 45.100 0.250 0.000 0.670 411 G HN 1.925 nan 8.290 nan 0.000 0.528 412 V N 1.152 121.079 119.914 0.021 0.000 2.455 412 V HA 0.541 4.661 4.120 -0.000 0.000 0.273 412 V C 1.205 177.208 176.094 -0.152 0.000 1.045 412 V CA 0.038 62.212 62.300 -0.209 0.000 0.976 412 V CB 1.348 33.035 31.823 -0.227 0.000 0.993 412 V HN 0.360 nan 8.190 nan 0.000 0.475 413 R N 3.112 123.516 120.500 -0.160 0.000 2.612 413 R HA 0.307 4.646 4.340 -0.000 0.000 0.260 413 R C 0.285 176.423 176.300 -0.270 0.000 0.943 413 R CA -0.228 55.733 56.100 -0.232 0.000 1.036 413 R CB 0.709 30.877 30.300 -0.220 0.000 1.520 413 R HN 0.419 nan 8.270 nan 0.000 0.563 414 R N -0.499 119.889 120.500 -0.187 0.000 2.803 414 R HA 0.440 4.780 4.340 -0.000 0.000 0.276 414 R C 1.026 177.227 176.300 -0.165 0.000 0.978 414 R CA -0.312 55.703 56.100 -0.143 0.000 0.939 414 R CB 1.247 31.525 30.300 -0.036 0.000 1.179 414 R HN 0.086 nan 8.270 nan 0.000 0.472 415 G N -0.048 108.680 108.800 -0.121 0.000 2.448 415 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 415 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 415 G C 1.102 175.990 174.900 -0.020 0.000 1.127 415 G CA 1.468 46.518 45.100 -0.084 0.000 0.766 415 G HN 0.670 nan 8.290 nan 0.000 0.552 416 T N -1.129 113.435 114.554 0.016 0.000 2.995 416 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 416 T C 1.703 176.448 174.700 0.074 0.000 1.091 416 T CA 1.371 63.559 62.100 0.146 0.000 1.128 416 T CB -0.102 68.911 68.868 0.241 0.000 0.891 416 T HN 0.122 nan 8.240 nan 0.000 0.492 417 D N 1.558 121.884 120.400 -0.123 0.000 2.084 417 D HA -0.052 4.587 4.640 -0.000 0.000 0.194 417 D C 2.328 178.484 176.300 -0.239 0.000 0.990 417 D CA 0.801 54.558 54.000 -0.405 0.000 0.826 417 D CB -0.671 39.657 40.800 -0.787 0.000 0.971 417 D HN 0.281 nan 8.370 nan 0.000 0.453 418 V N 0.944 120.770 119.914 -0.146 0.000 2.392 418 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 418 V C 2.582 178.736 176.094 0.100 0.000 1.059 418 V CA 1.169 63.465 62.300 -0.008 0.000 1.051 418 V CB -0.445 31.386 31.823 0.012 0.000 0.658 418 V HN 0.180 nan 8.190 nan 0.000 0.455 419 L N -0.719 120.579 121.223 0.124 0.000 2.093 419 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 419 L C 2.537 179.542 176.870 0.226 0.000 1.085 419 L CA 1.608 56.554 54.840 0.177 0.000 0.755 419 L CB -0.508 41.667 42.059 0.194 0.000 0.904 419 L HN 0.259 nan 8.230 nan 0.000 0.435 420 K N -0.043 120.508 120.400 0.251 0.000 2.057 420 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 420 K C 2.228 178.944 176.600 0.194 0.000 1.049 420 K CA 1.431 57.849 56.287 0.218 0.000 0.931 420 K CB -0.319 32.292 32.500 0.186 0.000 0.714 420 K HN 0.287 nan 8.250 nan 0.000 0.440 421 A N 1.290 124.255 122.820 0.241 0.000 1.898 421 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 421 A C 2.137 179.806 177.584 0.142 0.000 1.181 421 A CA 1.125 53.283 52.037 0.201 0.000 0.620 421 A CB -0.629 18.530 19.000 0.265 0.000 0.819 421 A HN 0.144 nan 8.150 nan 0.000 0.442 422 L N -0.807 120.503 121.223 0.145 0.000 2.042 422 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 422 L C 2.607 179.534 176.870 0.095 0.000 1.076 422 L CA 1.258 56.167 54.840 0.114 0.000 0.749 422 L CB -0.637 41.492 42.059 0.118 0.000 0.893 422 L HN 0.473 nan 8.230 nan 0.000 0.432 423 C N -0.375 118.994 119.300 0.114 0.000 2.432 423 C HA -0.068 4.391 4.460 -0.000 0.000 0.282 423 C C 2.521 177.558 174.990 0.078 0.000 1.388 423 C CA 0.359 59.438 59.018 0.103 0.000 1.777 423 C CB -0.742 27.083 27.740 0.142 0.000 1.882 423 C HN 0.429 nan 8.230 nan 0.000 0.520 424 L N 0.113 121.381 121.223 0.074 0.000 2.558 424 L HA 0.216 4.555 4.340 -0.000 0.000 0.225 424 L C 1.913 178.802 176.870 0.033 0.000 1.128 424 L CA 1.177 56.046 54.840 0.048 0.000 0.868 424 L CB -0.243 41.840 42.059 0.040 0.000 1.006 424 L HN 0.498 nan 8.230 nan 0.000 0.454 425 G N -0.820 108.001 108.800 0.035 0.000 2.205 425 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.180 425 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.180 425 G C 0.378 175.270 174.900 -0.012 0.000 1.004 425 G CA -0.257 44.849 45.100 0.011 0.000 0.670 425 G HN 0.395 nan 8.290 nan 0.000 0.496 426 A N 0.034 122.859 122.820 0.009 0.000 2.483 426 A HA 0.625 4.945 4.320 -0.000 0.000 0.238 426 A C 1.279 178.837 177.584 -0.044 0.000 1.070 426 A CA 1.528 53.554 52.037 -0.019 0.000 0.770 426 A CB 0.499 19.543 19.000 0.074 0.000 1.008 426 A HN 0.440 nan 8.150 nan 0.000 0.497 427 K N 0.656 120.931 120.400 -0.209 0.000 2.243 427 K HA 0.242 4.562 4.320 -0.000 0.000 0.201 427 K C 0.684 177.351 176.600 0.112 0.000 1.051 427 K CA 1.251 57.430 56.287 -0.181 0.000 0.970 427 K CB 0.175 32.371 32.500 -0.506 0.000 0.755 427 K HN 1.015 nan 8.250 nan 0.000 0.465 428 G N -0.931 108.057 108.800 0.313 0.000 2.601 428 G HA2 0.433 4.393 3.960 -0.000 0.000 0.291 428 G HA3 0.433 4.393 3.960 -0.000 0.000 0.291 428 G C -1.989 173.311 174.900 0.666 0.000 1.456 428 G CA -0.315 45.154 45.100 0.615 0.000 0.804 428 G HN 0.170 nan 8.290 nan 0.000 0.499 429 V N 0.069 120.262 119.914 0.466 0.000 2.638 429 V HA 0.946 5.066 4.120 -0.000 0.000 0.306 429 V C 0.278 176.257 176.094 -0.192 0.000 1.052 429 V CA 0.315 62.752 62.300 0.227 0.000 0.885 429 V CB 1.482 33.411 31.823 0.177 0.000 0.999 429 V HN 1.551 nan 8.190 nan 0.000 0.424 430 G N 4.824 113.241 108.800 -0.639 0.000 2.412 430 G HA2 0.706 4.666 3.960 -0.000 0.000 0.318 430 G HA3 0.706 4.666 3.960 -0.000 0.000 0.318 430 G C -1.394 173.275 174.900 -0.385 0.000 1.146 430 G CA -0.727 43.687 45.100 -1.143 0.000 0.882 430 G HN 0.871 nan 8.290 nan 0.000 0.501 431 L N 0.557 121.625 121.223 -0.259 0.000 2.408 431 L HA 0.652 4.991 4.340 -0.000 0.000 0.268 431 L C 0.940 177.809 176.870 -0.000 0.000 0.986 431 L CA -0.196 54.615 54.840 -0.048 0.000 0.820 431 L CB 2.462 44.602 42.059 0.135 0.000 1.303 431 L HN 0.739 nan 8.230 nan 0.000 0.411 432 G N 0.672 109.435 108.800 -0.060 0.000 2.478 432 G HA2 0.112 4.072 3.960 -0.000 0.000 0.211 432 G HA3 0.112 4.072 3.960 -0.000 0.000 0.211 432 G C 1.160 175.929 174.900 -0.218 0.000 1.726 432 G CA -0.127 44.897 45.100 -0.127 0.000 0.725 432 G HN 0.491 nan 8.290 nan 0.000 0.654 433 R N 1.147 121.455 120.500 -0.320 0.000 2.117 433 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 433 R C -0.323 175.560 176.300 -0.696 0.000 1.143 433 R CA 1.898 57.618 56.100 -0.633 0.000 0.968 433 R CB -1.006 28.982 30.300 -0.520 0.000 0.863 433 R HN 0.316 nan 8.270 nan 0.000 0.444 434 P HA -0.137 nan 4.420 nan 0.000 0.217 434 P C 0.769 177.839 177.300 -0.383 0.000 1.150 434 P CA 1.334 64.286 63.100 -0.247 0.000 0.832 434 P CB -0.048 31.448 31.700 -0.340 0.000 0.787 435 F N -1.499 118.300 119.950 -0.252 0.000 2.367 435 F HA -0.013 4.514 4.527 -0.001 0.000 0.298 435 F C 2.265 177.897 175.800 -0.279 0.000 1.094 435 F CA 0.690 58.539 58.000 -0.252 0.000 1.409 435 F CB -0.685 38.197 39.000 -0.196 0.000 1.064 435 F HN -0.190 nan 8.300 nan 0.000 0.528 436 L N -1.333 119.743 121.223 -0.245 0.000 2.072 436 L HA -0.228 4.112 4.340 -0.000 0.000 0.205 436 L C 2.229 178.993 176.870 -0.176 0.000 1.079 436 L CA 1.221 55.837 54.840 -0.373 0.000 0.752 436 L CB -0.490 41.086 42.059 -0.805 0.000 0.906 436 L HN 0.128 nan 8.230 nan 0.000 0.436 437 Y N -0.563 119.706 120.300 -0.053 0.000 2.263 437 Y HA -0.100 4.450 4.550 -0.001 0.000 0.292 437 Y C 2.563 178.462 175.900 -0.001 0.000 1.130 437 Y CA 0.553 58.704 58.100 0.085 0.000 1.179 437 Y CB -1.127 37.451 38.460 0.195 0.000 0.998 437 Y HN 0.122 nan 8.280 nan 0.000 0.532 438 A N 0.288 122.998 122.820 -0.183 0.000 1.873 438 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 438 A C 2.265 179.735 177.584 -0.190 0.000 1.186 438 A CA 1.721 53.319 52.037 -0.731 0.000 0.616 438 A CB -1.035 17.076 19.000 -1.481 0.000 0.823 438 A HN 0.557 nan 8.150 nan 0.000 0.442 439 N N -0.181 118.460 118.700 -0.099 0.000 2.205 439 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 439 N C 1.449 176.998 175.510 0.064 0.000 1.015 439 N CA 1.494 54.547 53.050 0.006 0.000 0.862 439 N CB -0.021 38.466 38.487 0.001 0.000 0.986 439 N HN 0.398 nan 8.380 nan 0.000 0.429 440 S N -0.778 114.987 115.700 0.109 0.000 2.489 440 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 440 S C 1.756 176.409 174.600 0.088 0.000 0.995 440 S CA 0.133 58.428 58.200 0.159 0.000 0.934 440 S CB 0.191 63.576 63.200 0.308 0.000 0.771 440 S HN 0.514 nan 8.310 nan 0.000 0.522 441 C N -1.038 118.300 119.300 0.063 0.000 2.535 441 C HA 0.324 4.784 4.460 -0.000 0.000 0.310 441 C C 1.164 175.930 174.990 -0.372 0.000 1.344 441 C CA -0.226 58.695 59.018 -0.162 0.000 1.831 441 C CB -0.742 26.924 27.740 -0.123 0.000 2.284 441 C HN 0.613 nan 8.230 nan 0.000 0.523 442 Y N 0.650 121.003 120.300 0.088 0.000 2.717 442 Y HA 0.404 4.954 4.550 -0.001 0.000 0.250 442 Y C 1.685 177.612 175.900 0.045 0.000 1.149 442 Y CA 0.372 58.523 58.100 0.084 0.000 1.211 442 Y CB -0.407 38.141 38.460 0.148 0.000 1.289 442 Y HN 0.355 nan 8.280 nan 0.000 0.552 443 G N 2.189 111.067 108.800 0.130 0.000 2.632 443 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.322 443 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.322 443 G C 1.393 176.342 174.900 0.082 0.000 1.326 443 G CA 1.337 46.487 45.100 0.084 0.000 0.986 443 G HN 0.537 nan 8.290 nan 0.000 0.541 444 R N -0.139 120.400 120.500 0.065 0.000 2.092 444 R HA 0.061 4.401 4.340 -0.000 0.000 0.231 444 R C 2.005 178.339 176.300 0.056 0.000 1.119 444 R CA 1.962 58.090 56.100 0.047 0.000 0.970 444 R CB -0.492 29.828 30.300 0.033 0.000 0.864 444 R HN 0.417 nan 8.270 nan 0.000 0.440 445 N N 0.626 119.373 118.700 0.077 0.000 2.459 445 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 445 N C 1.637 177.197 175.510 0.083 0.000 1.046 445 N CA 1.188 54.284 53.050 0.077 0.000 0.904 445 N CB -0.132 38.404 38.487 0.083 0.000 0.964 445 N HN 0.510 nan 8.380 nan 0.000 0.444 446 G N 0.790 109.658 108.800 0.114 0.000 2.434 446 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 446 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 446 G C 1.662 176.510 174.900 -0.087 0.000 1.202 446 G CA 0.682 45.808 45.100 0.043 0.000 0.788 446 G HN 0.156 nan 8.290 nan 0.000 0.539 447 V N 1.268 121.169 119.914 -0.021 0.000 2.252 447 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 447 V C 2.666 178.841 176.094 0.135 0.000 1.056 447 V CA 2.574 64.920 62.300 0.077 0.000 1.022 447 V CB -0.597 31.278 31.823 0.087 0.000 0.641 447 V HN 0.686 nan 8.190 nan 0.000 0.445 448 E N 0.452 120.706 120.200 0.091 0.000 2.085 448 E HA -0.327 4.023 4.350 -0.000 0.000 0.194 448 E C 2.160 178.830 176.600 0.116 0.000 0.994 448 E CA 1.816 58.275 56.400 0.098 0.000 0.801 448 E CB -0.201 29.536 29.700 0.061 0.000 0.743 448 E HN 0.431 nan 8.360 nan 0.000 0.453 449 K N 0.784 121.245 120.400 0.102 0.000 2.103 449 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 449 K C 1.788 178.483 176.600 0.158 0.000 1.048 449 K CA 1.640 58.001 56.287 0.124 0.000 0.930 449 K CB -0.680 31.911 32.500 0.152 0.000 0.716 449 K HN 0.250 nan 8.250 nan 0.000 0.444 450 A N 0.514 123.420 122.820 0.144 0.000 1.873 450 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 450 A C 2.297 179.933 177.584 0.087 0.000 1.186 450 A CA 1.563 53.630 52.037 0.050 0.000 0.616 450 A CB -0.645 18.157 19.000 -0.330 0.000 0.823 450 A HN 0.322 nan 8.150 nan 0.000 0.442 451 I N -0.536 120.223 120.570 0.314 0.000 2.151 451 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 451 I C 2.564 178.876 176.117 0.325 0.000 1.080 451 I CA 2.060 63.648 61.300 0.479 0.000 1.339 451 I CB -0.306 37.911 38.000 0.362 0.000 1.039 451 I HN 0.464 nan 8.210 nan 0.000 0.409 452 E N 0.759 121.074 120.200 0.191 0.000 2.077 452 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 452 E C 2.279 178.933 176.600 0.090 0.000 0.989 452 E CA 1.199 57.675 56.400 0.126 0.000 0.800 452 E CB 0.009 29.760 29.700 0.086 0.000 0.746 452 E HN 0.444 nan 8.360 nan 0.000 0.452 453 I N 0.109 120.717 120.570 0.063 0.000 2.353 453 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 453 I C 2.124 178.226 176.117 -0.025 0.000 1.119 453 I CA 0.389 61.694 61.300 0.008 0.000 1.417 453 I CB 0.088 38.083 38.000 -0.008 0.000 1.078 453 I HN 0.226 nan 8.210 nan 0.000 0.421 454 L N 0.728 121.917 121.223 -0.057 0.000 2.209 454 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 454 L C 2.523 179.377 176.870 -0.027 0.000 1.094 454 L CA 1.439 56.170 54.840 -0.182 0.000 0.790 454 L CB -0.687 41.055 42.059 -0.527 0.000 0.932 454 L HN 0.080 nan 8.230 nan 0.000 0.447 455 R N -0.571 120.028 120.500 0.164 0.000 2.075 455 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 455 R C 1.622 177.992 176.300 0.117 0.000 1.126 455 R CA 1.893 58.144 56.100 0.251 0.000 0.963 455 R CB -0.336 30.108 30.300 0.241 0.000 0.858 455 R HN 0.313 nan 8.270 nan 0.000 0.435 456 D N 0.473 120.914 120.400 0.069 0.000 2.178 456 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 456 D C 1.685 177.996 176.300 0.018 0.000 0.974 456 D CA 1.069 55.091 54.000 0.037 0.000 0.841 456 D CB -0.038 40.776 40.800 0.023 0.000 0.953 456 D HN 0.419 nan 8.370 nan 0.000 0.478 457 E N -0.086 120.116 120.200 0.003 0.000 2.072 457 E HA -0.085 4.264 4.350 -0.000 0.000 0.191 457 E C 2.209 178.808 176.600 -0.003 0.000 0.985 457 E CA 0.466 56.858 56.400 -0.014 0.000 0.801 457 E CB 0.046 29.718 29.700 -0.046 0.000 0.750 457 E HN 0.283 nan 8.360 nan 0.000 0.452 458 I N 1.025 121.607 120.570 0.021 0.000 2.315 458 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 458 I C 2.160 178.292 176.117 0.025 0.000 1.117 458 I CA 1.097 62.420 61.300 0.038 0.000 1.404 458 I CB -0.146 37.916 38.000 0.103 0.000 1.071 458 I HN 0.103 nan 8.210 nan 0.000 0.419 459 E N 0.395 120.613 120.200 0.031 0.000 2.072 459 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 459 E C 2.235 178.832 176.600 -0.005 0.000 0.985 459 E CA 1.215 57.625 56.400 0.018 0.000 0.801 459 E CB -0.080 29.636 29.700 0.025 0.000 0.750 459 E HN 0.444 nan 8.360 nan 0.000 0.452 460 M N 0.476 120.070 119.600 -0.009 0.000 2.156 460 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 460 M C 2.162 178.435 176.300 -0.045 0.000 1.067 460 M CA 1.278 56.566 55.300 -0.021 0.000 1.131 460 M CB 0.137 32.727 32.600 -0.016 0.000 1.368 460 M HN -0.038 nan 8.290 nan 0.000 0.416 461 S N 0.647 116.315 115.700 -0.054 0.000 2.399 461 S HA -0.149 4.320 4.470 -0.000 0.000 0.231 461 S C 1.758 176.267 174.600 -0.151 0.000 1.022 461 S CA 1.367 59.502 58.200 -0.108 0.000 0.983 461 S CB -0.275 62.872 63.200 -0.088 0.000 0.803 461 S HN 0.506 nan 8.310 nan 0.000 0.480 462 M N 0.761 120.306 119.600 -0.092 0.000 2.117 462 M HA -0.107 4.372 4.480 -0.000 0.000 0.262 462 M C 2.366 178.618 176.300 -0.079 0.000 1.065 462 M CA 1.338 56.587 55.300 -0.084 0.000 1.114 462 M CB -0.212 32.367 32.600 -0.034 0.000 1.361 462 M HN 0.202 nan 8.290 nan 0.000 0.408 463 R N -0.016 120.450 120.500 -0.057 0.000 2.082 463 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 463 R C 1.954 178.217 176.300 -0.062 0.000 1.136 463 R CA 1.259 57.332 56.100 -0.046 0.000 0.935 463 R CB -0.809 29.473 30.300 -0.030 0.000 0.842 463 R HN 0.270 nan 8.270 nan 0.000 0.430 464 L N 1.028 122.204 121.223 -0.078 0.000 2.265 464 L HA -0.094 4.245 4.340 -0.000 0.000 0.215 464 L C 2.159 178.953 176.870 -0.128 0.000 1.117 464 L CA 1.201 55.990 54.840 -0.085 0.000 0.782 464 L CB -0.832 41.178 42.059 -0.082 0.000 0.914 464 L HN 0.258 nan 8.230 nan 0.000 0.441 465 L N -0.522 120.587 121.223 -0.190 0.000 2.395 465 L HA 0.014 4.353 4.340 -0.000 0.000 0.218 465 L C 1.329 178.130 176.870 -0.115 0.000 1.130 465 L CA 1.048 55.748 54.840 -0.234 0.000 0.826 465 L CB -0.292 41.572 42.059 -0.326 0.000 0.941 465 L HN 0.566 nan 8.230 nan 0.000 0.451 466 G N 0.328 109.081 108.800 -0.078 0.000 2.132 466 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 466 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 466 G C 0.116 174.999 174.900 -0.029 0.000 0.989 466 G CA 0.357 45.432 45.100 -0.042 0.000 0.676 466 G HN 0.396 nan 8.290 nan 0.000 0.522 467 V N -2.986 116.906 119.914 -0.035 0.000 3.019 467 V HA 0.957 5.077 4.120 -0.000 0.000 0.317 467 V C 0.861 176.948 176.094 -0.012 0.000 1.094 467 V CA 0.549 62.839 62.300 -0.017 0.000 1.000 467 V CB 1.752 33.569 31.823 -0.011 0.000 1.060 467 V HN 0.836 nan 8.190 nan 0.000 0.443 468 T N -1.652 112.902 114.554 -0.001 0.000 2.975 468 T HA 0.365 4.715 4.350 -0.000 0.000 0.257 468 T C 0.681 175.388 174.700 0.012 0.000 1.003 468 T CA 0.550 62.652 62.100 0.004 0.000 0.932 468 T CB -0.251 68.620 68.868 0.006 0.000 1.087 468 T HN 1.386 nan 8.240 nan 0.000 0.512 469 S N -0.016 115.693 115.700 0.015 0.000 2.697 469 S HA 0.654 5.123 4.470 -0.000 0.000 0.289 469 S C 0.638 175.253 174.600 0.026 0.000 1.149 469 S CA -0.995 57.218 58.200 0.022 0.000 0.850 469 S CB 0.939 64.154 63.200 0.025 0.000 1.151 469 S HN -0.074 nan 8.310 nan 0.000 0.491 470 I N 0.853 121.441 120.570 0.031 0.000 2.439 470 I HA -0.024 4.146 4.170 -0.000 0.000 0.251 470 I C 2.749 178.888 176.117 0.036 0.000 1.139 470 I CA 1.602 62.925 61.300 0.038 0.000 1.438 470 I CB -1.846 36.178 38.000 0.040 0.000 1.085 470 I HN 0.872 nan 8.210 nan 0.000 0.427 471 A N 0.421 123.260 122.820 0.031 0.000 2.067 471 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 471 A C 2.083 179.683 177.584 0.027 0.000 1.158 471 A CA 1.149 53.203 52.037 0.029 0.000 0.661 471 A CB -0.543 18.473 19.000 0.027 0.000 0.801 471 A HN 0.446 nan 8.150 nan 0.000 0.452 472 E N -0.708 119.508 120.200 0.026 0.000 2.481 472 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 472 E C -0.391 176.226 176.600 0.028 0.000 1.047 472 E CA -0.195 56.219 56.400 0.023 0.000 0.867 472 E CB -0.047 29.664 29.700 0.017 0.000 0.858 472 E HN 0.532 nan 8.360 nan 0.000 0.513 473 L N 2.867 124.111 121.223 0.035 0.000 2.356 473 L HA 0.168 4.508 4.340 -0.000 0.000 0.282 473 L C 0.098 177.000 176.870 0.053 0.000 1.132 473 L CA 0.009 54.878 54.840 0.048 0.000 0.923 473 L CB 0.037 42.131 42.059 0.058 0.000 1.278 473 L HN -0.072 nan 8.230 nan 0.000 0.436 474 K N 2.960 123.391 120.400 0.053 0.000 2.346 474 K HA 0.513 4.833 4.320 -0.000 0.000 0.238 474 K C -2.092 174.547 176.600 0.065 0.000 1.039 474 K CA -1.913 54.405 56.287 0.051 0.000 0.861 474 K CB 0.895 33.418 32.500 0.038 0.000 1.278 474 K HN -0.109 nan 8.250 nan 0.000 0.460 475 P HA -0.137 nan 4.420 nan 0.000 0.222 475 P C -0.085 177.254 177.300 0.065 0.000 1.147 475 P CA 1.190 64.327 63.100 0.061 0.000 0.790 475 P CB 0.046 31.772 31.700 0.043 0.000 0.780 476 D N -1.170 119.264 120.400 0.057 0.000 2.351 476 D HA -0.096 4.544 4.640 -0.000 0.000 0.216 476 D C 1.379 177.723 176.300 0.073 0.000 0.968 476 D CA 0.775 54.807 54.000 0.054 0.000 0.899 476 D CB -0.369 40.457 40.800 0.042 0.000 0.907 476 D HN 0.157 nan 8.370 nan 0.000 0.514 477 L N -0.239 121.042 121.223 0.097 0.000 2.513 477 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 477 L C 0.725 177.722 176.870 0.212 0.000 1.096 477 L CA 0.298 55.219 54.840 0.136 0.000 0.857 477 L CB -0.466 41.671 42.059 0.130 0.000 1.026 477 L HN 0.003 nan 8.230 nan 0.000 0.469 478 L N 0.239 121.563 121.223 0.168 0.000 2.325 478 L HA 0.264 4.604 4.340 -0.000 0.000 0.279 478 L C -0.056 176.878 176.870 0.107 0.000 1.054 478 L CA -0.575 54.355 54.840 0.150 0.000 0.804 478 L CB 1.306 43.425 42.059 0.100 0.000 1.200 478 L HN -0.066 nan 8.230 nan 0.000 0.436 479 D N 3.278 123.740 120.400 0.104 0.000 2.411 479 D HA 0.196 4.836 4.640 -0.000 0.000 0.225 479 D C 0.456 176.792 176.300 0.060 0.000 1.156 479 D CA -0.070 53.978 54.000 0.080 0.000 0.874 479 D CB 0.890 41.748 40.800 0.097 0.000 1.034 479 D HN 0.392 nan 8.370 nan 0.000 0.502 480 L N 2.502 123.750 121.223 0.040 0.000 2.611 480 L HA 0.016 4.356 4.340 -0.000 0.000 0.229 480 L C 1.941 178.822 176.870 0.018 0.000 1.137 480 L CA -0.011 54.846 54.840 0.028 0.000 0.901 480 L CB -0.071 42.002 42.059 0.022 0.000 1.098 480 L HN 0.287 nan 8.230 nan 0.000 0.456 481 S N -1.343 114.364 115.700 0.012 0.000 2.447 481 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 481 S C 1.638 176.235 174.600 -0.005 0.000 1.006 481 S CA 1.247 59.446 58.200 -0.001 0.000 0.957 481 S CB -0.479 62.714 63.200 -0.013 0.000 0.773 481 S HN 0.544 nan 8.310 nan 0.000 0.507 482 T N -1.351 113.203 114.554 0.000 0.000 3.228 482 T HA 0.396 4.746 4.350 -0.000 0.000 0.278 482 T C 1.099 175.812 174.700 0.022 0.000 1.014 482 T CA -0.468 61.633 62.100 0.002 0.000 0.904 482 T CB -0.138 68.722 68.868 -0.013 0.000 1.110 482 T HN 0.228 nan 8.240 nan 0.000 0.541 483 L N 0.544 121.778 121.223 0.018 0.000 2.131 483 L HA 0.067 4.407 4.340 -0.000 0.000 0.210 483 L C 1.556 178.429 176.870 0.004 0.000 1.092 483 L CA 1.400 56.246 54.840 0.010 0.000 0.759 483 L CB -0.116 41.943 42.059 -0.000 0.000 0.903 483 L HN 0.169 nan 8.230 nan 0.000 0.435 484 K N 0.097 120.501 120.400 0.006 0.000 2.437 484 K HA 0.216 4.536 4.320 -0.000 0.000 0.205 484 K C 0.629 177.235 176.600 0.010 0.000 1.026 484 K CA 0.267 56.557 56.287 0.006 0.000 1.153 484 K CB 0.493 32.996 32.500 0.004 0.000 0.863 484 K HN 0.167 nan 8.250 nan 0.000 0.502 485 A N 1.512 124.340 122.820 0.014 0.000 3.019 485 A HA 0.092 4.411 4.320 -0.000 0.000 0.262 485 A C 0.477 178.075 177.584 0.023 0.000 1.509 485 A CA -0.264 51.782 52.037 0.015 0.000 1.159 485 A CB -0.629 18.380 19.000 0.014 0.000 1.042 485 A HN 0.138 nan 8.150 nan 0.000 0.641 486 R N 1.721 122.235 120.500 0.023 0.000 2.357 486 R HA 0.178 4.518 4.340 -0.000 0.000 0.330 486 R C -0.032 176.287 176.300 0.031 0.000 1.102 486 R CA 0.568 56.686 56.100 0.030 0.000 0.974 486 R CB -0.046 30.273 30.300 0.032 0.000 1.002 486 R HN 0.492 nan 8.270 nan 0.000 0.463 487 T N -0.159 114.414 114.554 0.031 0.000 2.902 487 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 487 T C -0.175 174.546 174.700 0.034 0.000 1.009 487 T CA -0.817 61.299 62.100 0.027 0.000 1.051 487 T CB 1.971 70.852 68.868 0.021 0.000 0.999 487 T HN 0.157 nan 8.240 nan 0.000 0.474 488 V N 2.360 122.292 119.914 0.029 0.000 2.376 488 V HA 0.651 4.771 4.120 -0.000 0.000 0.287 488 V C 0.974 177.079 176.094 0.018 0.000 1.015 488 V CA -0.739 61.580 62.300 0.031 0.000 0.834 488 V CB 1.241 33.086 31.823 0.037 0.000 1.001 488 V HN 1.261 nan 8.190 nan 0.000 0.428 489 G N 2.684 111.493 108.800 0.016 0.000 2.572 489 G HA2 0.457 4.417 3.960 -0.000 0.000 0.261 489 G HA3 0.457 4.417 3.960 -0.000 0.000 0.261 489 G C -0.053 174.849 174.900 0.003 0.000 1.197 489 G CA -0.211 44.892 45.100 0.006 0.000 0.870 489 G HN 0.901 nan 8.290 nan 0.000 0.548 490 V N 1.164 121.075 119.914 -0.006 0.000 2.686 490 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 490 V C -1.688 174.402 176.094 -0.007 0.000 1.055 490 V CA -1.614 60.680 62.300 -0.009 0.000 1.050 490 V CB 0.803 32.615 31.823 -0.017 0.000 0.984 490 V HN 0.637 nan 8.190 nan 0.000 0.482 491 P HA 0.254 nan 4.420 nan 0.000 0.268 491 P C -0.752 176.547 177.300 -0.002 0.000 1.204 491 P CA 0.184 63.286 63.100 0.003 0.000 0.768 491 P CB 0.400 32.104 31.700 0.007 0.000 0.842 492 N N 0.916 119.618 118.700 0.003 0.000 2.566 492 N HA 0.156 4.896 4.740 -0.000 0.000 0.299 492 N C -0.581 174.938 175.510 0.014 0.000 1.277 492 N CA -0.468 52.581 53.050 -0.003 0.000 0.965 492 N CB 0.437 38.912 38.487 -0.019 0.000 1.142 492 N HN 0.307 nan 8.380 nan 0.000 0.596 493 D N 0.861 121.273 120.400 0.020 0.000 2.468 493 D HA 0.048 4.688 4.640 -0.000 0.000 0.218 493 D C 1.203 177.557 176.300 0.089 0.000 1.155 493 D CA -0.227 53.801 54.000 0.046 0.000 0.924 493 D CB 0.272 41.085 40.800 0.022 0.000 1.029 493 D HN 0.394 nan 8.370 nan 0.000 0.515 494 V N 3.231 123.185 119.914 0.067 0.000 2.490 494 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 494 V C 1.718 177.861 176.094 0.081 0.000 1.061 494 V CA 1.101 63.441 62.300 0.067 0.000 1.064 494 V CB -0.377 31.474 31.823 0.047 0.000 0.670 494 V HN 0.366 nan 8.190 nan 0.000 0.461 495 L N -0.860 120.417 121.223 0.089 0.000 2.095 495 L HA 0.084 4.424 4.340 -0.000 0.000 0.204 495 L C 2.430 179.369 176.870 0.115 0.000 1.080 495 L CA 2.278 57.168 54.840 0.085 0.000 0.759 495 L CB -1.112 40.992 42.059 0.074 0.000 0.914 495 L HN 0.525 nan 8.230 nan 0.000 0.439 496 Y N 0.586 120.903 120.300 0.028 0.000 2.145 496 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 496 Y C 2.222 178.161 175.900 0.064 0.000 1.145 496 Y CA 2.250 60.371 58.100 0.035 0.000 1.148 496 Y CB -0.387 38.077 38.460 0.006 0.000 0.981 496 Y HN 0.350 nan 8.280 nan 0.000 0.507 497 N N -0.499 118.353 118.700 0.253 0.000 2.331 497 N HA -0.158 4.582 4.740 -0.000 0.000 0.180 497 N C 1.686 177.273 175.510 0.129 0.000 1.019 497 N CA 0.629 53.791 53.050 0.187 0.000 0.881 497 N CB -0.081 38.497 38.487 0.152 0.000 0.972 497 N HN 0.306 nan 8.380 nan 0.000 0.435 498 E N 0.980 121.231 120.200 0.086 0.000 2.017 498 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 498 E C 2.167 178.785 176.600 0.029 0.000 0.997 498 E CA 1.263 57.695 56.400 0.052 0.000 0.804 498 E CB -0.199 29.525 29.700 0.040 0.000 0.757 498 E HN 0.310 nan 8.360 nan 0.000 0.448 499 V N -1.034 118.882 119.914 0.004 0.000 3.041 499 V HA -0.035 4.084 4.120 -0.000 0.000 0.260 499 V C 1.232 177.293 176.094 -0.054 0.000 1.105 499 V CA 0.374 62.653 62.300 -0.034 0.000 1.125 499 V CB -1.160 30.630 31.823 -0.055 0.000 0.730 499 V HN 0.112 nan 8.190 nan 0.000 0.479 500 Y N 2.347 122.550 120.300 -0.162 0.000 2.425 500 Y HA 0.411 4.961 4.550 -0.000 0.000 0.331 500 Y C 0.364 176.216 175.900 -0.079 0.000 1.157 500 Y CA -0.317 57.683 58.100 -0.166 0.000 1.372 500 Y CB 0.450 38.784 38.460 -0.209 0.000 1.253 500 Y HN 0.357 nan 8.280 nan 0.000 0.536 501 E N 3.977 123.677 120.200 -0.834 0.000 2.176 501 E HA 0.412 4.761 4.350 -0.000 0.000 0.267 501 E C -0.351 175.713 176.600 -0.893 0.000 0.893 501 E CA -0.819 55.221 56.400 -0.599 0.000 0.761 501 E CB 1.518 31.011 29.700 -0.346 0.000 1.133 501 E HN 0.897 nan 8.360 nan 0.000 0.409 502 G N 3.173 111.732 108.800 -0.401 0.000 2.504 502 G HA2 0.389 4.349 3.960 -0.000 0.000 0.288 502 G HA3 0.389 4.349 3.960 -0.000 0.000 0.288 502 G C -1.960 172.878 174.900 -0.103 0.000 1.182 502 G CA -0.864 44.149 45.100 -0.146 0.000 0.894 502 G HN 0.311 nan 8.290 nan 0.000 0.521 503 P HA 0.328 nan 4.420 nan 0.000 0.278 503 P C -0.151 177.136 177.300 -0.021 0.000 1.270 503 P CA -0.075 63.014 63.100 -0.018 0.000 0.800 503 P CB 0.492 32.202 31.700 0.018 0.000 1.142 504 T N -0.806 113.734 114.554 -0.024 0.000 2.942 504 T HA 0.473 4.822 4.350 -0.000 0.000 0.327 504 T C -0.636 174.044 174.700 -0.034 0.000 1.360 504 T CA -0.546 61.536 62.100 -0.030 0.000 1.055 504 T CB 0.556 69.400 68.868 -0.040 0.000 1.261 504 T HN 0.120 nan 8.240 nan 0.000 0.485 505 L N 2.403 123.602 121.223 -0.040 0.000 2.421 505 L HA 0.557 4.896 4.340 -0.000 0.000 0.263 505 L C 1.435 178.256 176.870 -0.082 0.000 1.122 505 L CA -0.713 54.091 54.840 -0.059 0.000 0.804 505 L CB 1.081 43.103 42.059 -0.061 0.000 1.150 505 L HN 0.787 nan 8.230 nan 0.000 0.457 506 T N -2.739 111.748 114.554 -0.111 0.000 2.754 506 T HA 0.210 4.559 4.350 -0.000 0.000 0.286 506 T C 0.500 175.069 174.700 -0.217 0.000 0.997 506 T CA -0.373 61.645 62.100 -0.136 0.000 0.982 506 T CB 1.544 70.333 68.868 -0.132 0.000 1.027 506 T HN 0.686 nan 8.240 nan 0.000 0.529 507 E N -0.921 119.143 120.200 -0.226 0.000 2.354 507 E HA 0.395 4.745 4.350 -0.000 0.000 0.203 507 E C -0.791 175.703 176.600 -0.177 0.000 0.841 507 E CA -0.486 55.806 56.400 -0.178 0.000 1.046 507 E CB 0.364 30.032 29.700 -0.054 0.000 1.040 507 E HN 0.662 nan 8.360 nan 0.000 0.504 508 F N -0.263 119.685 119.950 -0.004 0.000 2.177 508 F HA -0.221 4.306 4.527 -0.000 0.000 0.381 508 F C 0.752 176.549 175.800 -0.005 0.000 1.294 508 F CA -0.160 57.837 58.000 -0.004 0.000 1.154 508 F CB -0.343 38.654 39.000 -0.004 0.000 3.826 508 F HN -0.025 nan 8.300 nan 0.000 0.380 509 E N 1.495 121.811 120.200 0.193 0.000 2.021 509 E HA 0.312 4.662 4.350 -0.000 0.000 0.191 509 E C 0.527 177.167 176.600 0.067 0.000 0.971 509 E CA 1.700 58.157 56.400 0.096 0.000 0.825 509 E CB 0.148 29.890 29.700 0.069 0.000 0.788 509 E HN 0.761 nan 8.360 nan 0.000 0.460 510 D N -1.299 119.131 120.400 0.051 0.000 2.145 510 D HA 0.577 5.217 4.640 -0.000 0.000 0.157 510 D C -0.855 175.453 176.300 0.014 0.000 1.106 510 D CA -0.009 54.008 54.000 0.029 0.000 0.890 510 D CB -0.034 nan 40.800 nan 0.000 3.058 510 D HN 0.447 nan 8.370 nan 0.000 0.495 511 A N 0.000 122.822 122.820 0.004 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486