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 2ass_1_B DATA FIRST_RESID 2095 DATA SEQUENCE VSWDSLPDEL LLGIFSCLCL PELLKVSGVC KRWYRLASDE SLWQTLDLTG DATA SEQUENCE KNLHPDVTGR LLSQGVIAFR CPRSFMDQPL AEHFSPFRVQ HMDLSNSVIE DATA SEQUENCE VSTLHGILSQ CSKLQNLSLE GLRLSDPIVN TLAKNSNLVR LNLSGCSGFS DATA SEQUENCE EFALQTLLSS CSRLDELNLS WCFDFTEKHV QVAVAHVSET ITQLNLSGYR DATA SEQUENCE KNLQKSDLST LVRRCPNLVH LDLSDSVMLK NDCFQEFFQL NYLQHLSLSR DATA SEQUENCE CYDIIPETLL ELGEIPTLKT LQVFGIVPDG TLQLLKEALP HLQINCSHFT DATA SEQUENCE TIARPTIGNK KNQEIWGIKC RLTLQ 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 2095 V HA 0.000 nan 4.120 nan 0.000 0.244 2095 V C 0.000 176.045 176.094 -0.081 0.000 1.182 2095 V CA 0.000 62.252 62.300 -0.079 0.000 1.235 2095 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 2096 S N 0.023 115.701 115.700 -0.037 0.000 2.564 2096 S HA 0.298 4.768 4.470 0.000 0.000 0.278 2096 S C 0.082 174.675 174.600 -0.011 0.000 1.333 2096 S CA 0.409 58.640 58.200 0.052 0.000 1.048 2096 S CB 0.642 63.873 63.200 0.052 0.000 0.900 2096 S HN 0.521 nan 8.310 nan 0.000 0.505 2097 W N 0.883 122.208 121.300 0.042 0.000 2.770 2097 W HA 0.227 4.887 4.660 0.000 0.000 0.256 2097 W C 1.233 177.810 176.519 0.098 0.000 1.291 2097 W CA -0.060 57.329 57.345 0.074 0.000 1.396 2097 W CB -0.125 29.398 29.460 0.105 0.000 1.114 2097 W HN 0.726 nan 8.180 nan 0.000 0.637 2098 D N -0.673 119.876 120.400 0.247 0.000 2.371 2098 D HA 0.041 4.681 4.640 0.000 0.000 0.242 2098 D C 1.230 177.603 176.300 0.120 0.000 1.218 2098 D CA 1.320 55.435 54.000 0.191 0.000 0.945 2098 D CB 1.549 42.413 40.800 0.107 0.000 1.137 2098 D HN -0.077 nan 8.370 nan 0.000 0.464 2099 S N -0.501 115.266 115.700 0.112 0.000 2.319 2099 S HA -0.243 4.227 4.470 0.000 0.000 0.253 2099 S C 0.207 174.840 174.600 0.054 0.000 1.235 2099 S CA 0.618 58.856 58.200 0.064 0.000 1.388 2099 S CB -1.539 61.678 63.200 0.029 0.000 1.723 2099 S HN 0.503 nan 8.310 nan 0.000 0.611 2100 L N 4.586 125.859 121.223 0.083 0.000 2.540 2100 L HA 0.321 4.661 4.340 0.000 0.000 0.276 2100 L C -1.518 175.375 176.870 0.039 0.000 1.212 2100 L CA -0.646 54.230 54.840 0.059 0.000 0.893 2100 L CB -0.179 41.961 42.059 0.134 0.000 1.138 2100 L HN 0.231 nan 8.230 nan 0.000 0.491 2101 P HA -0.027 nan 4.420 nan 0.000 0.264 2101 P C -0.128 177.151 177.300 -0.035 0.000 1.183 2101 P CA -0.124 62.971 63.100 -0.009 0.000 0.763 2101 P CB 0.656 32.346 31.700 -0.017 0.000 0.807 2102 D N 1.998 122.377 120.400 -0.034 0.000 2.127 2102 D HA -0.221 4.419 4.640 0.000 0.000 0.190 2102 D C 1.753 177.984 176.300 -0.114 0.000 1.000 2102 D CA 1.577 55.534 54.000 -0.073 0.000 0.839 2102 D CB -0.422 40.358 40.800 -0.034 0.000 0.955 2102 D HN 0.600 nan 8.370 nan 0.000 0.446 2103 E N -0.371 119.786 120.200 -0.071 0.000 2.068 2103 E HA -0.240 4.110 4.350 0.000 0.000 0.207 2103 E C 2.151 178.692 176.600 -0.099 0.000 1.032 2103 E CA 0.948 57.306 56.400 -0.070 0.000 0.839 2103 E CB -0.267 29.409 29.700 -0.040 0.000 0.758 2103 E HN 0.096 nan 8.360 nan 0.000 0.457 2104 L N 0.981 122.155 121.223 -0.083 0.000 2.127 2104 L HA -0.179 4.161 4.340 0.000 0.000 0.211 2104 L C 2.231 179.008 176.870 -0.155 0.000 1.089 2104 L CA 1.346 56.139 54.840 -0.078 0.000 0.757 2104 L CB -0.396 41.642 42.059 -0.034 0.000 0.899 2104 L HN 0.242 nan 8.230 nan 0.000 0.434 2105 L N -1.674 119.391 121.223 -0.263 0.000 1.994 2105 L HA -0.252 4.088 4.340 0.000 0.000 0.208 2105 L C 2.459 178.872 176.870 -0.761 0.000 1.071 2105 L CA 1.358 55.849 54.840 -0.581 0.000 0.745 2105 L CB -0.369 41.239 42.059 -0.751 0.000 0.892 2105 L HN 0.281 nan 8.230 nan 0.000 0.431 2106 L N -0.677 120.240 121.223 -0.511 0.000 2.081 2106 L HA -0.209 4.131 4.340 0.000 0.000 0.212 2106 L C 2.597 179.381 176.870 -0.143 0.000 1.080 2106 L CA 1.458 56.131 54.840 -0.279 0.000 0.754 2106 L CB -1.250 40.734 42.059 -0.125 0.000 0.893 2106 L HN 0.374 nan 8.230 nan 0.000 0.433 2107 G N 0.204 108.923 108.800 -0.136 0.000 2.442 2107 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 2107 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 2107 G C 1.569 176.440 174.900 -0.048 0.000 1.141 2107 G CA 0.755 45.815 45.100 -0.068 0.000 0.763 2107 G HN 0.316 nan 8.290 nan 0.000 0.554 2108 I N -0.455 120.061 120.570 -0.090 0.000 2.233 2108 I HA -0.022 4.148 4.170 0.000 0.000 0.243 2108 I C 2.483 178.660 176.117 0.100 0.000 1.093 2108 I CA 0.656 61.947 61.300 -0.015 0.000 1.380 2108 I CB -0.340 37.635 38.000 -0.041 0.000 1.067 2108 I HN 0.136 nan 8.210 nan 0.000 0.413 2109 F N 1.234 121.079 119.950 -0.175 0.000 2.154 2109 F HA -0.256 4.271 4.527 0.000 0.000 0.301 2109 F C 2.788 178.499 175.800 -0.147 0.000 1.087 2109 F CA 1.030 58.918 58.000 -0.187 0.000 1.274 2109 F CB -0.385 38.486 39.000 -0.215 0.000 1.009 2109 F HN 0.218 nan 8.300 nan 0.000 0.485 2110 S N -1.336 114.409 115.700 0.075 0.000 2.595 2110 S HA -0.111 4.359 4.470 0.000 0.000 0.235 2110 S C 1.229 175.810 174.600 -0.031 0.000 0.974 2110 S CA 0.583 58.776 58.200 -0.011 0.000 0.942 2110 S CB -1.010 62.178 63.200 -0.019 0.000 0.766 2110 S HN 0.384 nan 8.310 nan 0.000 0.536 2111 C N 0.699 119.990 119.300 -0.014 0.000 2.912 2111 C HA 0.486 4.946 4.460 0.000 0.000 0.274 2111 C C 0.824 175.788 174.990 -0.042 0.000 1.248 2111 C CA -0.844 58.158 59.018 -0.025 0.000 1.694 2111 C CB -1.120 26.614 27.740 -0.009 0.000 2.024 2111 C HN 0.553 nan 8.230 nan 0.000 0.605 2112 L N 1.780 122.969 121.223 -0.056 0.000 2.371 2112 L HA 0.313 4.653 4.340 0.000 0.000 0.272 2112 L C 0.641 177.444 176.870 -0.113 0.000 1.124 2112 L CA -0.344 54.446 54.840 -0.084 0.000 0.816 2112 L CB 0.195 42.184 42.059 -0.117 0.000 1.129 2112 L HN 0.374 nan 8.230 nan 0.000 0.448 2113 C N 1.278 120.519 119.300 -0.097 0.000 2.534 2113 C HA 0.215 4.675 4.460 0.000 0.000 0.385 2113 C C 1.823 176.738 174.990 -0.125 0.000 1.264 2113 C CA -1.030 57.926 59.018 -0.103 0.000 2.342 2113 C CB 0.572 28.270 27.740 -0.071 0.000 2.564 2113 C HN 0.893 nan 8.230 nan 0.000 0.603 2114 L N 3.160 124.296 121.223 -0.144 0.000 2.082 2114 L HA -0.129 4.211 4.340 0.000 0.000 0.223 2114 L C -0.213 176.611 176.870 -0.076 0.000 1.086 2114 L CA 2.832 57.584 54.840 -0.148 0.000 0.793 2114 L CB -1.607 40.389 42.059 -0.105 0.000 0.896 2114 L HN 0.701 nan 8.230 nan 0.000 0.441 2115 P HA -0.156 nan 4.420 nan 0.000 0.214 2115 P C 1.293 178.572 177.300 -0.036 0.000 1.162 2115 P CA 1.491 64.577 63.100 -0.023 0.000 0.879 2115 P CB -0.199 31.491 31.700 -0.017 0.000 0.786 2116 E N 0.163 120.330 120.200 -0.055 0.000 2.049 2116 E HA -0.186 4.164 4.350 0.000 0.000 0.198 2116 E C 2.206 178.741 176.600 -0.107 0.000 1.007 2116 E CA 0.810 57.171 56.400 -0.064 0.000 0.809 2116 E CB -1.429 28.230 29.700 -0.068 0.000 0.749 2116 E HN 0.138 nan 8.360 nan 0.000 0.450 2117 L N 1.147 122.278 121.223 -0.153 0.000 2.021 2117 L HA -0.204 4.136 4.340 0.000 0.000 0.215 2117 L C 2.351 179.132 176.870 -0.149 0.000 1.074 2117 L CA 1.640 56.343 54.840 -0.228 0.000 0.760 2117 L CB -0.696 41.218 42.059 -0.242 0.000 0.889 2117 L HN 0.097 nan 8.230 nan 0.000 0.433 2118 L N -0.674 120.520 121.223 -0.048 0.000 2.131 2118 L HA -0.215 4.125 4.340 0.000 0.000 0.210 2118 L C 2.659 179.533 176.870 0.007 0.000 1.092 2118 L CA 1.506 56.355 54.840 0.016 0.000 0.759 2118 L CB -0.638 41.456 42.059 0.059 0.000 0.903 2118 L HN 0.417 nan 8.230 nan 0.000 0.435 2119 K N 0.756 121.149 120.400 -0.011 0.000 1.985 2119 K HA -0.171 4.149 4.320 0.000 0.000 0.210 2119 K C 1.968 178.590 176.600 0.037 0.000 1.047 2119 K CA 2.065 58.360 56.287 0.014 0.000 0.932 2119 K CB -0.219 32.284 32.500 0.005 0.000 0.716 2119 K HN 0.259 nan 8.250 nan 0.000 0.439 2120 V N -0.124 119.790 119.914 0.001 0.000 3.140 2120 V HA -0.135 3.985 4.120 0.000 0.000 0.269 2120 V C 2.057 178.236 176.094 0.141 0.000 1.149 2120 V CA 2.140 64.502 62.300 0.105 0.000 1.162 2120 V CB -0.633 31.136 31.823 -0.091 0.000 0.756 2120 V HN 0.391 nan 8.190 nan 0.000 0.523 2121 S N 1.200 116.927 115.700 0.045 0.000 2.447 2121 S HA 0.096 4.566 4.470 0.000 0.000 0.233 2121 S C 1.504 176.268 174.600 0.274 0.000 1.006 2121 S CA 1.042 59.308 58.200 0.110 0.000 0.957 2121 S CB -0.678 62.545 63.200 0.038 0.000 0.773 2121 S HN 0.936 nan 8.310 nan 0.000 0.507 2122 G N 0.244 109.167 108.800 0.205 0.000 4.699 2122 G HA2 0.518 4.478 3.960 0.000 0.000 0.308 2122 G HA3 0.518 4.478 3.960 0.000 0.000 0.308 2122 G C 0.235 175.211 174.900 0.126 0.000 1.399 2122 G CA -0.226 44.980 45.100 0.177 0.000 1.221 2122 G HN 0.337 nan 8.290 nan 0.000 0.596 2123 V N -0.224 119.787 119.914 0.161 0.000 2.948 2123 V HA 0.234 4.354 4.120 0.000 0.000 0.234 2123 V C 0.872 176.948 176.094 -0.030 0.000 1.205 2123 V CA 1.056 63.369 62.300 0.022 0.000 1.234 2123 V CB 0.542 32.323 31.823 -0.070 0.000 1.020 2123 V HN 0.752 nan 8.190 nan 0.000 0.491 2124 C N 0.073 119.423 119.300 0.082 0.000 2.891 2124 C HA 0.627 5.087 4.460 0.000 0.000 0.342 2124 C C -0.531 174.573 174.990 0.190 0.000 1.126 2124 C CA -1.554 57.494 59.018 0.049 0.000 1.322 2124 C CB 0.791 28.479 27.740 -0.087 0.000 1.763 2124 C HN 0.404 nan 8.230 nan 0.000 0.491 2125 K N 2.818 123.287 120.400 0.114 0.000 2.447 2125 K HA 0.374 4.694 4.320 0.000 0.000 0.281 2125 K C 0.948 177.679 176.600 0.219 0.000 1.031 2125 K CA 0.966 57.335 56.287 0.137 0.000 1.019 2125 K CB 0.287 32.795 32.500 0.013 0.000 0.918 2125 K HN 0.962 nan 8.250 nan 0.000 0.476 2126 R N 2.508 123.200 120.500 0.320 0.000 2.050 2126 R HA -0.129 4.211 4.340 0.000 0.000 0.028 2126 R C 0.696 177.220 176.300 0.373 0.000 0.823 2126 R CA 0.275 56.553 56.100 0.296 0.000 3.466 2126 R CB -1.283 29.212 30.300 0.326 0.000 0.738 2126 R HN 0.628 nan 8.270 nan 0.000 0.575 2127 W N 1.267 122.720 121.300 0.255 0.000 2.308 2127 W HA -0.213 4.447 4.660 0.000 0.000 0.301 2127 W C 2.068 178.788 176.519 0.335 0.000 1.220 2127 W CA 2.390 59.955 57.345 0.367 0.000 1.240 2127 W CB -0.619 29.033 29.460 0.320 0.000 1.142 2127 W HN 0.477 nan 8.180 nan 0.000 0.521 2128 Y N 0.418 120.930 120.300 0.353 0.000 2.314 2128 Y HA -0.003 4.547 4.550 0.000 0.000 0.294 2128 Y C 2.568 178.574 175.900 0.177 0.000 1.119 2128 Y CA 1.995 60.221 58.100 0.211 0.000 1.179 2128 Y CB -0.917 37.634 38.460 0.152 0.000 1.025 2128 Y HN -0.105 nan 8.280 nan 0.000 0.541 2129 R N 0.329 121.085 120.500 0.426 0.000 2.096 2129 R HA -0.109 4.231 4.340 0.000 0.000 0.235 2129 R C 1.819 178.205 176.300 0.142 0.000 1.127 2129 R CA 1.867 58.126 56.100 0.265 0.000 0.968 2129 R CB -0.354 30.110 30.300 0.274 0.000 0.861 2129 R HN 0.499 nan 8.270 nan 0.000 0.440 2130 L N -0.040 121.305 121.223 0.204 0.000 2.162 2130 L HA 0.081 4.421 4.340 0.000 0.000 0.205 2130 L C 2.563 179.590 176.870 0.262 0.000 1.086 2130 L CA 0.754 55.716 54.840 0.203 0.000 0.778 2130 L CB -0.383 41.772 42.059 0.161 0.000 0.928 2130 L HN 0.254 nan 8.230 nan 0.000 0.446 2131 A N -0.940 122.009 122.820 0.216 0.000 2.131 2131 A HA -0.129 4.191 4.320 0.000 0.000 0.220 2131 A C 1.897 179.573 177.584 0.154 0.000 1.158 2131 A CA 1.599 53.656 52.037 0.034 0.000 0.665 2131 A CB -0.295 18.610 19.000 -0.158 0.000 0.795 2131 A HN 0.351 nan 8.150 nan 0.000 0.460 2132 S N -0.510 115.234 115.700 0.072 0.000 2.624 2132 S HA 0.170 4.640 4.470 0.000 0.000 0.246 2132 S C 0.461 175.104 174.600 0.070 0.000 1.072 2132 S CA -0.194 58.021 58.200 0.025 0.000 1.045 2132 S CB 0.002 63.050 63.200 -0.253 0.000 0.851 2132 S HN 0.659 nan 8.310 nan 0.000 0.480 2133 D N 2.873 123.393 120.400 0.199 0.000 1.373 2133 D HA -0.091 4.549 4.640 0.000 0.000 0.334 2133 D C 1.427 177.828 176.300 0.168 0.000 1.342 2133 D CA 1.533 55.628 54.000 0.157 0.000 1.103 2133 D CB 0.232 41.122 40.800 0.151 0.000 2.095 2133 D HN 0.392 nan 8.370 nan 0.000 0.673 2134 E N -2.559 117.759 120.200 0.197 0.000 2.145 2134 E HA -0.061 4.289 4.350 0.000 0.000 0.199 2134 E C 1.439 178.133 176.600 0.157 0.000 1.006 2134 E CA 0.671 57.177 56.400 0.177 0.000 1.418 2134 E CB -0.534 29.224 29.700 0.097 0.000 3.464 2134 E HN 0.277 nan 8.360 nan 0.000 1.000 2135 S N 1.025 116.792 115.700 0.112 0.000 2.428 2135 S HA 0.030 4.500 4.470 0.000 0.000 0.230 2135 S C 1.934 176.560 174.600 0.043 0.000 1.014 2135 S CA 0.613 58.852 58.200 0.065 0.000 0.957 2135 S CB -0.267 62.958 63.200 0.040 0.000 0.784 2135 S HN 0.307 nan 8.310 nan 0.000 0.499 2136 L N -1.617 119.641 121.223 0.059 0.000 2.270 2136 L HA 0.211 4.551 4.340 0.000 0.000 0.210 2136 L C 1.337 178.047 176.870 -0.267 0.000 1.104 2136 L CA 0.498 55.283 54.840 -0.093 0.000 0.804 2136 L CB -0.343 41.661 42.059 -0.092 0.000 0.937 2136 L HN 0.372 nan 8.230 nan 0.000 0.450 2137 W N 0.040 121.330 121.300 -0.017 0.000 3.194 2137 W HA 0.153 4.813 4.660 0.000 0.000 0.408 2137 W C 2.018 178.526 176.519 -0.017 0.000 1.072 2137 W CA -0.523 56.805 57.345 -0.028 0.000 1.953 2137 W CB -0.022 29.406 29.460 -0.054 0.000 1.091 2137 W HN 0.047 nan 8.180 nan 0.000 0.699 2138 Q N 0.324 120.185 119.800 0.101 0.000 2.045 2138 Q HA -0.117 4.223 4.340 0.000 0.000 0.206 2138 Q C 1.001 177.056 176.000 0.091 0.000 0.991 2138 Q CA 1.787 57.642 55.803 0.087 0.000 0.851 2138 Q CB -0.850 27.917 28.738 0.048 0.000 0.911 2138 Q HN 0.274 nan 8.270 nan 0.000 0.418 2139 T N -1.418 113.168 114.554 0.054 0.000 2.848 2139 T HA 0.597 4.947 4.350 0.000 0.000 0.285 2139 T C -0.779 173.957 174.700 0.060 0.000 0.995 2139 T CA -0.886 61.257 62.100 0.072 0.000 0.970 2139 T CB 1.666 70.556 68.868 0.037 0.000 0.976 2139 T HN 0.023 nan 8.240 nan 0.000 0.441 2140 L N 2.017 123.333 121.223 0.155 0.000 2.408 2140 L HA 0.830 5.170 4.340 0.000 0.000 0.268 2140 L C -1.760 175.245 176.870 0.225 0.000 0.986 2140 L CA -0.367 54.589 54.840 0.193 0.000 0.820 2140 L CB 2.245 44.495 42.059 0.318 0.000 1.303 2140 L HN 0.853 nan 8.230 nan 0.000 0.411 2141 D N 4.639 125.112 120.400 0.120 0.000 2.473 2141 D HA 0.356 4.996 4.640 0.000 0.000 0.253 2141 D C -0.824 175.497 176.300 0.036 0.000 1.233 2141 D CA -0.059 53.963 54.000 0.036 0.000 0.908 2141 D CB 0.986 41.776 40.800 -0.017 0.000 1.170 2141 D HN 0.635 nan 8.370 nan 0.000 0.558 2142 L N 3.418 124.644 121.223 0.005 0.000 3.218 2142 L HA 0.180 4.520 4.340 0.000 0.000 0.279 2142 L C 0.793 177.630 176.870 -0.055 0.000 1.287 2142 L CA -0.482 54.374 54.840 0.027 0.000 1.024 2142 L CB 0.637 42.781 42.059 0.143 0.000 1.409 2142 L HN 0.410 nan 8.230 nan 0.000 0.580 2143 T N -2.103 112.390 114.554 -0.101 0.000 2.934 2143 T HA 0.283 4.633 4.350 0.000 0.000 0.306 2143 T C 1.402 176.066 174.700 -0.060 0.000 1.042 2143 T CA 0.745 62.773 62.100 -0.121 0.000 1.145 2143 T CB 1.253 70.041 68.868 -0.133 0.000 0.982 2143 T HN 0.599 nan 8.240 nan 0.000 0.544 2144 G N 2.048 110.810 108.800 -0.063 0.000 2.179 2144 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 2144 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 2144 G C 0.066 175.043 174.900 0.129 0.000 0.977 2144 G CA 0.467 45.579 45.100 0.021 0.000 0.641 2144 G HN 1.037 nan 8.290 nan 0.000 0.533 2145 K N 0.851 121.304 120.400 0.089 0.000 2.237 2145 K HA 0.459 4.779 4.320 0.000 0.000 0.270 2145 K C 0.129 176.867 176.600 0.230 0.000 1.015 2145 K CA -0.257 56.111 56.287 0.136 0.000 0.949 2145 K CB 0.326 32.885 32.500 0.099 0.000 0.976 2145 K HN 0.311 nan 8.250 nan 0.000 0.472 2146 N N 4.448 123.282 118.700 0.223 0.000 2.479 2146 N HA 0.439 5.179 4.740 0.000 0.000 0.261 2146 N C -1.244 174.356 175.510 0.151 0.000 0.979 2146 N CA -0.668 52.532 53.050 0.249 0.000 0.930 2146 N CB 0.305 38.856 38.487 0.107 0.000 1.172 2146 N HN 0.529 nan 8.380 nan 0.000 0.499 2147 L N -0.300 121.014 121.223 0.152 0.000 2.510 2147 L HA 0.579 4.919 4.340 0.000 0.000 0.252 2147 L C -1.114 175.843 176.870 0.145 0.000 1.091 2147 L CA -1.100 53.824 54.840 0.140 0.000 0.888 2147 L CB 1.709 43.849 42.059 0.135 0.000 1.507 2147 L HN 0.406 nan 8.230 nan 0.000 0.407 2148 H N 1.562 120.675 119.070 0.072 0.000 2.527 2148 H HA 0.316 4.872 4.556 0.000 0.000 0.321 2148 H C -2.044 173.325 175.328 0.067 0.000 1.087 2148 H CA -1.665 54.425 56.048 0.069 0.000 1.337 2148 H CB 2.206 32.005 29.762 0.062 0.000 1.440 2148 H HN 0.459 nan 8.280 nan 0.000 0.490 2149 P HA -0.204 nan 4.420 nan 0.000 0.217 2149 P C 0.790 178.199 177.300 0.182 0.000 1.148 2149 P CA 1.167 64.274 63.100 0.013 0.000 0.834 2149 P CB 0.549 32.206 31.700 -0.072 0.000 0.783 2150 D N -0.406 120.297 120.400 0.506 0.000 2.117 2150 D HA -0.098 4.542 4.640 0.000 0.000 0.197 2150 D C 2.136 178.606 176.300 0.283 0.000 0.987 2150 D CA 0.883 55.156 54.000 0.455 0.000 0.829 2150 D CB -0.706 40.294 40.800 0.334 0.000 0.961 2150 D HN 0.053 nan 8.370 nan 0.000 0.460 2151 V N 0.709 120.748 119.914 0.207 0.000 2.270 2151 V HA -0.227 3.893 4.120 0.000 0.000 0.245 2151 V C 2.722 178.803 176.094 -0.021 0.000 1.043 2151 V CA 2.144 64.496 62.300 0.087 0.000 1.014 2151 V CB -1.010 30.869 31.823 0.093 0.000 0.645 2151 V HN 0.313 nan 8.190 nan 0.000 0.447 2152 T N 0.068 114.608 114.554 -0.024 0.000 2.803 2152 T HA -0.136 4.214 4.350 0.000 0.000 0.269 2152 T C 1.861 176.325 174.700 -0.393 0.000 1.052 2152 T CA 2.099 64.109 62.100 -0.150 0.000 1.136 2152 T CB -0.550 68.320 68.868 0.004 0.000 0.864 2152 T HN 0.538 nan 8.240 nan 0.000 0.467 2153 G N 0.810 109.370 108.800 -0.398 0.000 2.404 2153 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 2153 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 2153 G C 1.816 176.250 174.900 -0.777 0.000 1.174 2153 G CA 0.652 45.185 45.100 -0.946 0.000 0.780 2153 G HN 0.510 nan 8.290 nan 0.000 0.537 2154 R N -0.016 120.391 120.500 -0.156 0.000 2.096 2154 R HA 0.073 4.413 4.340 0.000 0.000 0.235 2154 R C 2.533 178.700 176.300 -0.221 0.000 1.127 2154 R CA 0.844 56.994 56.100 0.083 0.000 0.968 2154 R CB -0.315 30.052 30.300 0.111 0.000 0.861 2154 R HN 0.400 nan 8.270 nan 0.000 0.440 2155 L N 0.480 121.485 121.223 -0.363 0.000 2.056 2155 L HA -0.158 4.182 4.340 0.000 0.000 0.207 2155 L C 2.430 178.964 176.870 -0.560 0.000 1.078 2155 L CA 0.981 55.513 54.840 -0.513 0.000 0.749 2155 L CB -0.359 41.453 42.059 -0.411 0.000 0.901 2155 L HN 0.228 nan 8.230 nan 0.000 0.433 2156 L N -0.209 120.569 121.223 -0.741 0.000 2.191 2156 L HA -0.168 4.172 4.340 0.000 0.000 0.212 2156 L C 2.690 179.221 176.870 -0.565 0.000 1.103 2156 L CA 1.328 55.636 54.840 -0.887 0.000 0.769 2156 L CB -0.511 40.593 42.059 -1.591 0.000 0.908 2156 L HN 0.391 nan 8.230 nan 0.000 0.438 2157 S N -1.284 114.218 115.700 -0.329 0.000 2.555 2157 S HA -0.126 4.344 4.470 0.000 0.000 0.230 2157 S C 1.519 176.092 174.600 -0.045 0.000 0.978 2157 S CA 0.277 58.516 58.200 0.065 0.000 0.934 2157 S CB -0.183 63.187 63.200 0.284 0.000 0.766 2157 S HN 0.517 nan 8.310 nan 0.000 0.533 2158 Q N 0.765 120.437 119.800 -0.213 0.000 2.373 2158 Q HA 0.289 4.629 4.340 0.000 0.000 0.206 2158 Q C 1.024 176.973 176.000 -0.086 0.000 0.942 2158 Q CA 0.255 55.909 55.803 -0.249 0.000 0.953 2158 Q CB 0.024 28.364 28.738 -0.663 0.000 1.022 2158 Q HN 0.797 nan 8.270 nan 0.000 0.502 2159 G N 0.467 109.244 108.800 -0.038 0.000 2.134 2159 G HA2 -0.232 3.728 3.960 0.000 0.000 0.209 2159 G HA3 -0.232 3.728 3.960 0.000 0.000 0.209 2159 G C 0.214 175.142 174.900 0.047 0.000 0.993 2159 G CA -0.175 44.943 45.100 0.030 0.000 0.669 2159 G HN 0.210 nan 8.290 nan 0.000 0.519 2160 V N 0.717 120.631 119.914 -0.001 0.000 2.720 2160 V HA 0.177 4.297 4.120 0.000 0.000 0.307 2160 V C 1.820 177.941 176.094 0.046 0.000 1.071 2160 V CA 1.242 63.560 62.300 0.029 0.000 1.199 2160 V CB 1.083 32.851 31.823 -0.092 0.000 0.900 2160 V HN 0.326 nan 8.190 nan 0.000 0.494 2161 I N 2.602 123.235 120.570 0.105 0.000 3.445 2161 I HA 0.290 4.460 4.170 0.000 0.000 0.288 2161 I C 1.115 177.368 176.117 0.227 0.000 1.198 2161 I CA 0.727 62.109 61.300 0.137 0.000 1.417 2161 I CB 0.285 38.371 38.000 0.144 0.000 1.205 2161 I HN 0.673 nan 8.210 nan 0.000 0.448 2162 A N 0.879 123.843 122.820 0.241 0.000 2.323 2162 A HA 0.503 4.823 4.320 0.000 0.000 0.305 2162 A C -1.325 176.439 177.584 0.300 0.000 1.275 2162 A CA -0.190 52.025 52.037 0.297 0.000 0.804 2162 A CB 0.302 19.429 19.000 0.211 0.000 1.152 2162 A HN 0.141 nan 8.150 nan 0.000 0.487 2163 F N 3.315 123.327 119.950 0.104 0.000 2.332 2163 F HA 0.496 5.024 4.527 0.000 0.000 0.368 2163 F C 0.402 176.233 175.800 0.052 0.000 1.110 2163 F CA -1.072 56.959 58.000 0.051 0.000 1.087 2163 F CB 1.016 40.016 39.000 -0.000 0.000 1.235 2163 F HN 0.600 nan 8.300 nan 0.000 0.470 2164 R N 5.842 126.242 120.500 -0.166 0.000 2.204 2164 R HA 0.451 4.791 4.340 0.000 0.000 0.341 2164 R C -1.116 174.858 176.300 -0.543 0.000 1.035 2164 R CA -0.041 55.886 56.100 -0.289 0.000 0.887 2164 R CB 0.328 30.540 30.300 -0.146 0.000 1.114 2164 R HN 0.757 nan 8.270 nan 0.000 0.473 2165 C N 7.779 126.683 119.300 -0.661 0.000 3.246 2165 C HA 0.439 4.899 4.460 0.000 0.000 0.204 2165 C C -2.612 172.160 174.990 -0.363 0.000 1.879 2165 C CA -1.676 56.970 59.018 -0.620 0.000 1.318 2165 C CB 0.438 27.507 27.740 -1.120 0.000 2.288 2165 C HN 0.678 nan 8.230 nan 0.000 0.530 2166 P HA 0.351 nan 4.420 nan 0.000 0.282 2166 P C -0.387 176.784 177.300 -0.214 0.000 1.259 2166 P CA 0.336 63.303 63.100 -0.222 0.000 0.826 2166 P CB 0.555 32.133 31.700 -0.203 0.000 1.064 2167 R N -1.207 119.155 120.500 -0.230 0.000 3.525 2167 R HA -0.104 4.237 4.340 0.000 0.000 0.276 2167 R C 0.405 176.471 176.300 -0.390 0.000 1.116 2167 R CA 0.742 56.673 56.100 -0.282 0.000 0.745 2167 R CB -2.352 27.834 30.300 -0.190 0.000 1.185 2167 R HN 0.763 nan 8.270 nan 0.000 0.454 2168 S N -0.813 114.648 115.700 -0.398 0.000 2.745 2168 S HA 0.771 5.241 4.470 0.000 0.000 0.292 2168 S C -0.218 174.012 174.600 -0.617 0.000 1.133 2168 S CA -0.880 57.108 58.200 -0.352 0.000 0.998 2168 S CB 1.323 64.428 63.200 -0.158 0.000 1.087 2168 S HN 0.176 nan 8.310 nan 0.000 0.551 2169 F N 0.246 120.188 119.950 -0.013 0.000 2.445 2169 F HA 0.549 5.076 4.527 0.000 0.000 0.348 2169 F C 0.198 175.996 175.800 -0.004 0.000 1.125 2169 F CA -0.624 57.371 58.000 -0.008 0.000 0.983 2169 F CB 1.523 40.521 39.000 -0.004 0.000 1.198 2169 F HN 0.385 nan 8.300 nan 0.000 0.436 2170 M N 3.689 123.346 119.600 0.096 0.000 3.287 2170 M HA 0.125 4.605 4.480 0.000 0.000 0.336 2170 M C -0.638 175.666 176.300 0.007 0.000 1.573 2170 M CA -0.116 55.208 55.300 0.039 0.000 0.609 2170 M CB 0.646 33.254 32.600 0.013 0.000 1.421 2170 M HN 0.465 nan 8.290 nan 0.000 0.476 2171 D N 0.731 121.153 120.400 0.037 0.000 3.133 2171 D HA 0.233 4.873 4.640 0.000 0.000 0.288 2171 D C -0.385 175.908 176.300 -0.011 0.000 1.346 2171 D CA 0.019 54.030 54.000 0.018 0.000 0.934 2171 D CB 0.453 41.288 40.800 0.058 0.000 1.042 2171 D HN 0.343 nan 8.370 nan 0.000 0.506 2172 Q N 0.259 120.006 119.800 -0.088 0.000 2.445 2172 Q HA 0.573 4.913 4.340 0.000 0.000 0.281 2172 Q C -2.655 173.273 176.000 -0.119 0.000 1.101 2172 Q CA -1.969 53.770 55.803 -0.106 0.000 0.833 2172 Q CB 2.487 31.104 28.738 -0.201 0.000 1.416 2172 Q HN 0.119 nan 8.270 nan 0.000 0.451 2173 P HA 0.180 nan 4.420 nan 0.000 0.282 2173 P C -1.009 176.308 177.300 0.028 0.000 1.249 2173 P CA -0.466 62.636 63.100 0.004 0.000 0.806 2173 P CB 0.622 32.347 31.700 0.042 0.000 0.984 2174 L N 1.837 123.090 121.223 0.050 0.000 2.455 2174 L HA 0.151 4.491 4.340 0.000 0.000 0.272 2174 L C 1.232 178.160 176.870 0.097 0.000 1.174 2174 L CA 0.213 55.121 54.840 0.114 0.000 0.869 2174 L CB 0.618 42.747 42.059 0.117 0.000 1.130 2174 L HN 0.520 nan 8.230 nan 0.000 0.474 2175 A N 3.484 126.388 122.820 0.141 0.000 2.108 2175 A HA 0.170 4.490 4.320 0.000 0.000 0.206 2175 A C 0.815 178.336 177.584 -0.106 0.000 1.212 2175 A CA 0.027 52.087 52.037 0.038 0.000 0.843 2175 A CB 0.212 19.260 19.000 0.080 0.000 0.902 2175 A HN 0.732 nan 8.150 nan 0.000 0.477 2176 E N -0.615 119.525 120.200 -0.099 0.000 2.267 2176 E HA 0.471 4.821 4.350 0.000 0.000 0.258 2176 E C -1.149 175.111 176.600 -0.568 0.000 1.074 2176 E CA -0.582 55.628 56.400 -0.316 0.000 0.915 2176 E CB 0.596 30.071 29.700 -0.375 0.000 1.186 2176 E HN 0.565 nan 8.360 nan 0.000 0.439 2177 H N -0.651 118.162 119.070 -0.429 0.000 2.622 2177 H HA 0.445 5.001 4.556 0.000 0.000 0.363 2177 H C -1.094 173.855 175.328 -0.632 0.000 1.151 2177 H CA -0.452 55.416 56.048 -0.300 0.000 1.184 2177 H CB 0.906 30.571 29.762 -0.161 0.000 1.643 2177 H HN 0.251 nan 8.280 nan 0.000 0.531 2178 F N -0.498 119.484 119.950 0.053 0.000 2.654 2178 F HA 0.614 5.141 4.527 0.000 0.000 0.334 2178 F C 0.258 175.968 175.800 -0.150 0.000 1.078 2178 F CA -0.791 57.186 58.000 -0.038 0.000 0.986 2178 F CB 1.841 40.810 39.000 -0.051 0.000 1.362 2178 F HN 0.380 nan 8.300 nan 0.000 0.498 2179 S N 0.068 115.774 115.700 0.010 0.000 2.664 2179 S HA 0.558 5.028 4.470 0.000 0.000 0.304 2179 S C -2.761 171.663 174.600 -0.293 0.000 1.099 2179 S CA -1.389 56.751 58.200 -0.100 0.000 1.003 2179 S CB 1.713 64.898 63.200 -0.025 0.000 1.092 2179 S HN 0.168 nan 8.310 nan 0.000 0.525 2180 P HA 0.003 nan 4.420 nan 0.000 0.263 2180 P C -0.987 176.205 177.300 -0.180 0.000 1.162 2180 P CA 0.811 63.764 63.100 -0.244 0.000 0.758 2180 P CB 0.081 31.719 31.700 -0.103 0.000 0.773 2181 F N 1.528 121.463 119.950 -0.024 0.000 2.408 2181 F HA 0.398 4.925 4.527 0.000 0.000 0.325 2181 F C 1.993 177.770 175.800 -0.037 0.000 1.082 2181 F CA -0.772 57.202 58.000 -0.045 0.000 1.032 2181 F CB 1.198 40.150 39.000 -0.080 0.000 1.259 2181 F HN 0.193 nan 8.300 nan 0.000 0.503 2182 R N 0.133 120.748 120.500 0.192 0.000 2.223 2182 R HA 0.095 4.435 4.340 0.000 0.000 0.198 2182 R C -0.213 176.120 176.300 0.054 0.000 0.984 2182 R CA 0.079 56.232 56.100 0.088 0.000 1.018 2182 R CB 0.164 30.504 30.300 0.067 0.000 0.945 2182 R HN 0.511 nan 8.270 nan 0.000 0.479 2183 V N 1.153 121.098 119.914 0.051 0.000 2.814 2183 V HA -0.201 3.919 4.120 0.000 0.000 0.298 2183 V C 0.535 176.610 176.094 -0.032 0.000 1.195 2183 V CA 0.786 63.102 62.300 0.028 0.000 1.323 2183 V CB 0.242 32.088 31.823 0.038 0.000 0.842 2183 V HN 0.337 nan 8.190 nan 0.000 0.494 2184 Q N 2.066 121.794 119.800 -0.120 0.000 2.280 2184 Q HA 0.283 4.623 4.340 0.000 0.000 0.244 2184 Q C -0.482 175.087 176.000 -0.718 0.000 0.847 2184 Q CA 0.167 55.732 55.803 -0.397 0.000 0.945 2184 Q CB 0.817 29.271 28.738 -0.473 0.000 1.115 2184 Q HN 1.043 nan 8.270 nan 0.000 0.513 2185 H N 0.249 119.345 119.070 0.043 0.000 3.013 2185 H HA 0.526 5.082 4.556 0.000 0.000 0.326 2185 H C -1.242 174.213 175.328 0.213 0.000 0.973 2185 H CA -0.254 55.847 56.048 0.090 0.000 1.369 2185 H CB 1.374 31.232 29.762 0.159 0.000 1.598 2185 H HN -0.003 nan 8.280 nan 0.000 0.518 2186 M N 2.534 122.332 119.600 0.330 0.000 2.433 2186 M HA 0.375 4.855 4.480 0.000 0.000 0.290 2186 M C -1.924 174.555 176.300 0.298 0.000 1.173 2186 M CA -0.696 54.774 55.300 0.284 0.000 0.905 2186 M CB 2.466 35.191 32.600 0.208 0.000 1.692 2186 M HN 0.629 nan 8.290 nan 0.000 0.462 2187 D N 4.165 124.624 120.400 0.099 0.000 2.575 2187 D HA 0.407 5.047 4.640 0.000 0.000 0.250 2187 D C -1.040 175.183 176.300 -0.128 0.000 1.279 2187 D CA -0.294 53.704 54.000 -0.003 0.000 0.925 2187 D CB 1.289 42.010 40.800 -0.132 0.000 1.261 2187 D HN 0.709 nan 8.370 nan 0.000 0.567 2188 L N 2.248 123.423 121.223 -0.082 0.000 2.959 2188 L HA 0.218 4.558 4.340 0.000 0.000 0.259 2188 L C 0.700 177.509 176.870 -0.103 0.000 1.185 2188 L CA -0.412 54.359 54.840 -0.115 0.000 0.998 2188 L CB 0.270 42.297 42.059 -0.054 0.000 1.337 2188 L HN 0.358 nan 8.230 nan 0.000 0.555 2189 S N 0.300 115.945 115.700 -0.091 0.000 2.561 2189 S HA -0.072 4.399 4.470 0.000 0.000 0.294 2189 S C 0.887 175.419 174.600 -0.113 0.000 1.294 2189 S CA -0.218 57.932 58.200 -0.082 0.000 1.055 2189 S CB 0.071 63.223 63.200 -0.080 0.000 0.819 2189 S HN 0.538 nan 8.310 nan 0.000 0.503 2190 N N 0.159 118.803 118.700 -0.092 0.000 2.721 2190 N HA -0.158 4.582 4.740 0.000 0.000 0.249 2190 N C -0.489 174.919 175.510 -0.169 0.000 1.072 2190 N CA 1.145 54.129 53.050 -0.111 0.000 0.710 2190 N CB -1.855 36.562 38.487 -0.116 0.000 0.993 2190 N HN 0.617 nan 8.380 nan 0.000 0.547 2191 S N -0.410 115.189 115.700 -0.168 0.000 2.738 2191 S HA 0.623 5.093 4.470 0.000 0.000 0.284 2191 S C 0.612 175.094 174.600 -0.195 0.000 1.146 2191 S CA -0.651 57.403 58.200 -0.244 0.000 0.997 2191 S CB 2.401 65.485 63.200 -0.194 0.000 1.081 2191 S HN 0.051 nan 8.310 nan 0.000 0.553 2192 V N 2.353 122.131 119.914 -0.226 0.000 2.284 2192 V HA 0.482 4.602 4.120 0.000 0.000 0.274 2192 V C -0.784 175.288 176.094 -0.036 0.000 1.023 2192 V CA -0.158 62.088 62.300 -0.090 0.000 0.808 2192 V CB -0.287 31.524 31.823 -0.019 0.000 1.035 2192 V HN 0.583 nan 8.190 nan 0.000 0.445 2193 I N 2.321 122.882 120.570 -0.015 0.000 2.533 2193 I HA 0.470 4.640 4.170 0.000 0.000 0.290 2193 I C -0.180 175.951 176.117 0.024 0.000 1.056 2193 I CA -0.922 60.380 61.300 0.003 0.000 1.057 2193 I CB 2.432 40.432 38.000 0.001 0.000 1.240 2193 I HN 0.316 nan 8.210 nan 0.000 0.423 2194 E N 3.548 123.764 120.200 0.027 0.000 2.414 2194 E HA 0.050 4.400 4.350 0.000 0.000 0.263 2194 E C 0.843 177.474 176.600 0.052 0.000 1.000 2194 E CA 0.119 56.542 56.400 0.038 0.000 0.914 2194 E CB 1.241 30.959 29.700 0.031 0.000 0.948 2194 E HN 0.407 nan 8.360 nan 0.000 0.444 2195 V N 3.341 123.291 119.914 0.059 0.000 2.453 2195 V HA -0.331 3.789 4.120 0.000 0.000 0.252 2195 V C 2.167 178.318 176.094 0.094 0.000 1.068 2195 V CA 2.404 64.748 62.300 0.074 0.000 1.070 2195 V CB -0.641 31.224 31.823 0.070 0.000 0.664 2195 V HN 0.766 nan 8.190 nan 0.000 0.461 2196 S N -0.664 115.083 115.700 0.079 0.000 2.345 2196 S HA -0.223 4.247 4.470 0.000 0.000 0.220 2196 S C 1.996 176.677 174.600 0.135 0.000 1.031 2196 S CA 1.880 60.140 58.200 0.101 0.000 0.996 2196 S CB -0.876 62.364 63.200 0.067 0.000 0.882 2196 S HN 0.538 nan 8.310 nan 0.000 0.445 2197 T N 2.839 117.445 114.554 0.087 0.000 2.699 2197 T HA -0.054 4.296 4.350 0.000 0.000 0.268 2197 T C 1.674 176.424 174.700 0.083 0.000 1.036 2197 T CA 1.541 63.685 62.100 0.074 0.000 1.147 2197 T CB -0.673 68.215 68.868 0.033 0.000 0.862 2197 T HN 0.242 nan 8.240 nan 0.000 0.446 2198 L N 0.527 121.801 121.223 0.085 0.000 2.046 2198 L HA -0.059 4.281 4.340 0.000 0.000 0.208 2198 L C 2.266 179.192 176.870 0.094 0.000 1.077 2198 L CA 1.922 56.809 54.840 0.079 0.000 0.747 2198 L CB -0.838 41.265 42.059 0.074 0.000 0.896 2198 L HN 0.360 nan 8.230 nan 0.000 0.432 2199 H N -1.109 117.986 119.070 0.041 0.000 2.353 2199 H HA -0.070 4.486 4.556 0.000 0.000 0.300 2199 H C 2.059 177.416 175.328 0.048 0.000 1.090 2199 H CA 1.810 57.882 56.048 0.040 0.000 1.327 2199 H CB -0.485 29.300 29.762 0.040 0.000 1.383 2199 H HN 0.358 nan 8.280 nan 0.000 0.508 2200 G N 0.753 109.593 108.800 0.067 0.000 2.459 2200 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 2200 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 2200 G C 1.803 176.713 174.900 0.015 0.000 1.183 2200 G CA 1.193 46.319 45.100 0.042 0.000 0.776 2200 G HN 0.470 nan 8.290 nan 0.000 0.552 2201 I N 0.383 120.987 120.570 0.057 0.000 2.179 2201 I HA -0.106 4.064 4.170 0.000 0.000 0.242 2201 I C 2.628 178.800 176.117 0.091 0.000 1.088 2201 I CA 0.794 62.169 61.300 0.126 0.000 1.357 2201 I CB -0.281 37.779 38.000 0.100 0.000 1.051 2201 I HN 0.106 nan 8.210 nan 0.000 0.409 2202 L N 0.107 121.332 121.223 0.004 0.000 2.456 2202 L HA -0.114 4.226 4.340 0.000 0.000 0.224 2202 L C 2.337 179.144 176.870 -0.106 0.000 1.148 2202 L CA 0.648 55.471 54.840 -0.030 0.000 0.825 2202 L CB -0.367 41.668 42.059 -0.039 0.000 0.937 2202 L HN 0.188 nan 8.230 nan 0.000 0.450 2203 S N -0.787 114.798 115.700 -0.192 0.000 2.489 2203 S HA -0.059 4.411 4.470 0.000 0.000 0.228 2203 S C 1.556 176.056 174.600 -0.167 0.000 0.995 2203 S CA 0.613 58.679 58.200 -0.223 0.000 0.934 2203 S CB 0.059 63.086 63.200 -0.288 0.000 0.771 2203 S HN 0.402 nan 8.310 nan 0.000 0.522 2204 Q N -0.063 119.623 119.800 -0.190 0.000 2.247 2204 Q HA 0.265 4.605 4.340 0.000 0.000 0.204 2204 Q C -0.230 175.663 176.000 -0.179 0.000 0.872 2204 Q CA 0.047 55.651 55.803 -0.331 0.000 0.951 2204 Q CB -0.066 28.137 28.738 -0.892 0.000 1.099 2204 Q HN 0.411 nan 8.270 nan 0.000 0.501 2205 C N 0.017 119.287 119.300 -0.050 0.000 2.351 2205 C HA 0.635 5.095 4.460 0.000 0.000 0.326 2205 C C 1.210 176.186 174.990 -0.022 0.000 1.272 2205 C CA -0.423 58.603 59.018 0.013 0.000 1.650 2205 C CB 1.429 29.203 27.740 0.057 0.000 2.257 2205 C HN 0.281 nan 8.230 nan 0.000 0.505 2206 S N 0.375 116.063 115.700 -0.021 0.000 2.800 2206 S HA 0.077 4.547 4.470 0.000 0.000 0.266 2206 S C 0.841 175.419 174.600 -0.037 0.000 1.029 2206 S CA -0.174 58.006 58.200 -0.033 0.000 1.302 2206 S CB 0.082 63.261 63.200 -0.035 0.000 1.212 2206 S HN 0.715 nan 8.310 nan 0.000 0.683 2207 K N 1.672 122.051 120.400 -0.036 0.000 2.498 2207 K HA 0.402 4.722 4.320 0.000 0.000 0.207 2207 K C -0.219 176.321 176.600 -0.101 0.000 1.033 2207 K CA -0.081 56.172 56.287 -0.057 0.000 1.138 2207 K CB 0.062 32.539 32.500 -0.039 0.000 0.860 2207 K HN 0.344 nan 8.250 nan 0.000 0.490 2208 L N 1.252 122.416 121.223 -0.098 0.000 2.410 2208 L HA 0.096 4.436 4.340 0.000 0.000 0.273 2208 L C 1.709 178.460 176.870 -0.199 0.000 1.152 2208 L CA 0.218 54.968 54.840 -0.150 0.000 0.855 2208 L CB 0.843 42.843 42.059 -0.099 0.000 1.129 2208 L HN 0.200 nan 8.230 nan 0.000 0.463 2209 Q N 2.002 121.613 119.800 -0.315 0.000 2.431 2209 Q HA 0.169 4.509 4.340 0.000 0.000 0.244 2209 Q C -0.351 175.428 176.000 -0.368 0.000 0.880 2209 Q CA 0.269 55.891 55.803 -0.301 0.000 0.954 2209 Q CB 0.862 29.410 28.738 -0.318 0.000 1.105 2209 Q HN 0.633 nan 8.270 nan 0.000 0.558 2210 N N 0.852 119.252 118.700 -0.498 0.000 2.480 2210 N HA 0.330 5.070 4.740 0.000 0.000 0.289 2210 N C -1.971 173.189 175.510 -0.584 0.000 1.073 2210 N CA -0.310 52.225 53.050 -0.859 0.000 0.885 2210 N CB 2.228 39.710 38.487 -1.675 0.000 1.421 2210 N HN 0.090 nan 8.380 nan 0.000 0.503 2211 L N 0.894 121.954 121.223 -0.271 0.000 2.388 2211 L HA 0.702 5.042 4.340 0.000 0.000 0.264 2211 L C -0.823 176.194 176.870 0.245 0.000 0.998 2211 L CA -0.342 54.534 54.840 0.060 0.000 0.817 2211 L CB 2.283 44.343 42.059 0.002 0.000 1.338 2211 L HN 0.426 nan 8.230 nan 0.000 0.414 2212 S N 4.039 119.904 115.700 0.276 0.000 2.776 2212 S HA 0.538 5.008 4.470 0.000 0.000 0.284 2212 S C -0.388 174.262 174.600 0.083 0.000 1.160 2212 S CA -0.504 57.812 58.200 0.192 0.000 1.051 2212 S CB 0.468 63.781 63.200 0.187 0.000 1.037 2212 S HN 0.679 nan 8.310 nan 0.000 0.485 2213 L N 3.210 124.465 121.223 0.055 0.000 2.965 2213 L HA 0.406 4.746 4.340 0.000 0.000 0.254 2213 L C 0.881 177.764 176.870 0.022 0.000 1.220 2213 L CA -0.204 54.651 54.840 0.025 0.000 1.023 2213 L CB 0.084 42.152 42.059 0.015 0.000 1.355 2213 L HN 0.666 nan 8.230 nan 0.000 0.545 2214 E N 1.448 121.663 120.200 0.024 0.000 2.820 2214 E HA -0.011 4.339 4.350 0.000 0.000 0.251 2214 E C 1.213 177.819 176.600 0.010 0.000 0.944 2214 E CA 0.969 57.382 56.400 0.022 0.000 0.955 2214 E CB 0.258 29.962 29.700 0.007 0.000 0.904 2214 E HN 0.455 nan 8.360 nan 0.000 0.513 2215 G N 3.798 112.618 108.800 0.034 0.000 2.143 2215 G HA2 -0.269 3.691 3.960 0.000 0.000 0.248 2215 G HA3 -0.269 3.691 3.960 0.000 0.000 0.248 2215 G C 0.010 174.938 174.900 0.047 0.000 0.991 2215 G CA 0.286 45.411 45.100 0.041 0.000 0.689 2215 G HN 0.455 nan 8.290 nan 0.000 0.522 2216 L N -0.410 120.841 121.223 0.047 0.000 2.325 2216 L HA 0.661 5.001 4.340 0.000 0.000 0.278 2216 L C 0.822 177.739 176.870 0.078 0.000 1.023 2216 L CA -1.418 53.452 54.840 0.049 0.000 0.811 2216 L CB 1.500 43.576 42.059 0.029 0.000 1.249 2216 L HN 0.113 nan 8.230 nan 0.000 0.431 2217 R N 2.508 123.060 120.500 0.086 0.000 2.316 2217 R HA 0.458 4.798 4.340 0.000 0.000 0.314 2217 R C -0.808 175.557 176.300 0.108 0.000 1.069 2217 R CA 0.332 56.495 56.100 0.106 0.000 0.959 2217 R CB 0.107 30.470 30.300 0.105 0.000 0.987 2217 R HN 0.533 nan 8.270 nan 0.000 0.446 2218 L N 1.879 123.192 121.223 0.151 0.000 2.755 2218 L HA 0.663 5.003 4.340 0.000 0.000 0.243 2218 L C 0.003 176.975 176.870 0.171 0.000 1.579 2218 L CA -0.902 54.021 54.840 0.139 0.000 1.669 2218 L CB 1.047 43.157 42.059 0.085 0.000 2.294 2218 L HN 0.870 nan 8.230 nan 0.000 0.588 2219 S N -2.777 113.028 115.700 0.175 0.000 2.615 2219 S HA 0.198 4.668 4.470 0.000 0.000 0.268 2219 S C -0.431 174.275 174.600 0.177 0.000 1.146 2219 S CA -0.690 57.613 58.200 0.172 0.000 0.818 2219 S CB 1.295 64.554 63.200 0.098 0.000 1.111 2219 S HN 0.537 nan 8.310 nan 0.000 0.465 2220 D N 1.512 122.015 120.400 0.172 0.000 2.092 2220 D HA 0.092 4.732 4.640 0.000 0.000 0.193 2220 D C -1.102 175.265 176.300 0.111 0.000 0.994 2220 D CA 1.841 55.937 54.000 0.160 0.000 0.828 2220 D CB -1.151 39.734 40.800 0.142 0.000 0.963 2220 D HN 0.475 nan 8.370 nan 0.000 0.450 2221 P HA -0.157 nan 4.420 nan 0.000 0.216 2221 P C 1.490 178.930 177.300 0.233 0.000 1.157 2221 P CA 1.018 64.185 63.100 0.111 0.000 0.880 2221 P CB 0.049 31.685 31.700 -0.106 0.000 0.791 2222 I N -1.172 119.542 120.570 0.239 0.000 2.099 2222 I HA -0.233 3.937 4.170 0.000 0.000 0.239 2222 I C 2.189 178.335 176.117 0.049 0.000 1.066 2222 I CA 1.607 63.021 61.300 0.190 0.000 1.324 2222 I CB -0.903 37.178 38.000 0.135 0.000 1.037 2222 I HN -0.180 nan 8.210 nan 0.000 0.401 2223 V N 1.274 121.182 119.914 -0.009 0.000 2.469 2223 V HA -0.267 3.853 4.120 0.000 0.000 0.251 2223 V C 2.108 178.185 176.094 -0.028 0.000 1.064 2223 V CA 1.722 63.965 62.300 -0.094 0.000 1.066 2223 V CB -0.881 30.831 31.823 -0.184 0.000 0.667 2223 V HN 0.454 nan 8.190 nan 0.000 0.461 2224 N N 0.465 119.182 118.700 0.027 0.000 2.216 2224 N HA -0.118 4.622 4.740 0.000 0.000 0.183 2224 N C 2.095 177.615 175.510 0.018 0.000 1.017 2224 N CA 1.973 55.041 53.050 0.030 0.000 0.861 2224 N CB -0.308 38.212 38.487 0.055 0.000 0.986 2224 N HN 0.704 nan 8.380 nan 0.000 0.428 2225 T N -1.132 113.436 114.554 0.023 0.000 3.023 2225 T HA 0.113 4.463 4.350 0.000 0.000 0.266 2225 T C 2.123 176.804 174.700 -0.032 0.000 1.093 2225 T CA 0.157 62.249 62.100 -0.013 0.000 1.129 2225 T CB -0.240 68.594 68.868 -0.057 0.000 0.899 2225 T HN 0.042 nan 8.240 nan 0.000 0.491 2226 L N 0.877 122.082 121.223 -0.031 0.000 2.046 2226 L HA 0.021 4.361 4.340 0.000 0.000 0.208 2226 L C 3.152 179.999 176.870 -0.039 0.000 1.077 2226 L CA 1.260 56.075 54.840 -0.042 0.000 0.747 2226 L CB -0.723 41.300 42.059 -0.060 0.000 0.896 2226 L HN 0.428 nan 8.230 nan 0.000 0.432 2227 A N -0.575 122.226 122.820 -0.032 0.000 2.245 2227 A HA -0.236 4.084 4.320 0.000 0.000 0.217 2227 A C 2.159 179.726 177.584 -0.027 0.000 1.171 2227 A CA 1.433 53.453 52.037 -0.028 0.000 0.688 2227 A CB -0.430 18.558 19.000 -0.020 0.000 0.781 2227 A HN 0.380 nan 8.150 nan 0.000 0.479 2228 K N -0.372 120.010 120.400 -0.029 0.000 2.217 2228 K HA -0.077 4.243 4.320 0.000 0.000 0.202 2228 K C -0.108 176.472 176.600 -0.034 0.000 1.051 2228 K CA 1.002 57.270 56.287 -0.031 0.000 0.952 2228 K CB -0.150 32.329 32.500 -0.035 0.000 0.736 2228 K HN 0.516 nan 8.250 nan 0.000 0.453 2229 N N 1.158 119.834 118.700 -0.039 0.000 3.259 2229 N HA -0.027 4.713 4.740 0.000 0.000 0.308 2229 N C 0.316 175.798 175.510 -0.047 0.000 1.334 2229 N CA -0.142 52.880 53.050 -0.047 0.000 1.202 2229 N CB 0.566 39.021 38.487 -0.055 0.000 1.485 2229 N HN 0.053 nan 8.380 nan 0.000 0.549 2230 S N -1.122 114.555 115.700 -0.039 0.000 2.641 2230 S HA -0.022 4.448 4.470 0.000 0.000 0.239 2230 S C 1.084 175.660 174.600 -0.039 0.000 0.972 2230 S CA 0.435 58.615 58.200 -0.034 0.000 0.954 2230 S CB -0.063 63.121 63.200 -0.026 0.000 0.767 2230 S HN 0.290 nan 8.310 nan 0.000 0.539 2231 N N 0.481 119.149 118.700 -0.052 0.000 2.205 2231 N HA 0.365 5.105 4.740 0.000 0.000 0.201 2231 N C -0.175 175.288 175.510 -0.079 0.000 1.128 2231 N CA -0.168 52.846 53.050 -0.060 0.000 0.867 2231 N CB -0.079 38.370 38.487 -0.063 0.000 0.996 2231 N HN 0.400 nan 8.380 nan 0.000 0.503 2232 L N 0.709 121.881 121.223 -0.085 0.000 2.615 2232 L HA -0.090 4.250 4.340 0.000 0.000 0.284 2232 L C 1.107 177.917 176.870 -0.099 0.000 1.237 2232 L CA 0.084 54.859 54.840 -0.107 0.000 0.905 2232 L CB 0.652 42.658 42.059 -0.087 0.000 1.149 2232 L HN -0.027 nan 8.230 nan 0.000 0.499 2233 V N 2.753 122.586 119.914 -0.135 0.000 3.307 2233 V HA 0.144 4.264 4.120 0.000 0.000 0.244 2233 V C 0.558 176.580 176.094 -0.121 0.000 1.196 2233 V CA 0.502 62.734 62.300 -0.113 0.000 1.132 2233 V CB 0.140 31.891 31.823 -0.119 0.000 0.875 2233 V HN 0.697 nan 8.190 nan 0.000 0.468 2234 R N 0.780 121.167 120.500 -0.188 0.000 2.502 2234 R HA 0.610 4.950 4.340 0.000 0.000 0.298 2234 R C -1.791 174.437 176.300 -0.119 0.000 1.018 2234 R CA -0.460 55.548 56.100 -0.153 0.000 0.899 2234 R CB 2.414 32.567 30.300 -0.245 0.000 1.181 2234 R HN 0.121 nan 8.270 nan 0.000 0.444 2235 L N 2.893 124.106 121.223 -0.018 0.000 2.376 2235 L HA 0.493 4.834 4.340 0.000 0.000 0.275 2235 L C -1.264 175.652 176.870 0.076 0.000 0.987 2235 L CA -0.507 54.344 54.840 0.018 0.000 0.828 2235 L CB 1.747 43.806 42.059 -0.001 0.000 1.249 2235 L HN 0.476 nan 8.230 nan 0.000 0.409 2236 N N 5.429 124.195 118.700 0.111 0.000 2.446 2236 N HA 0.405 5.145 4.740 0.000 0.000 0.265 2236 N C -0.611 174.951 175.510 0.086 0.000 0.975 2236 N CA -0.280 52.840 53.050 0.116 0.000 0.928 2236 N CB 1.188 39.762 38.487 0.145 0.000 1.160 2236 N HN 0.812 nan 8.380 nan 0.000 0.495 2237 L N 1.383 122.659 121.223 0.088 0.000 3.122 2237 L HA 0.245 4.585 4.340 0.000 0.000 0.274 2237 L C 0.768 177.698 176.870 0.100 0.000 1.222 2237 L CA -0.252 54.637 54.840 0.081 0.000 1.028 2237 L CB 0.331 42.439 42.059 0.082 0.000 1.386 2237 L HN 0.410 nan 8.230 nan 0.000 0.578 2238 S N 0.684 116.444 115.700 0.099 0.000 2.575 2238 S HA 0.234 4.704 4.470 0.000 0.000 0.295 2238 S C 1.431 176.090 174.600 0.098 0.000 1.267 2238 S CA 1.088 59.355 58.200 0.111 0.000 1.074 2238 S CB 0.305 63.581 63.200 0.127 0.000 0.829 2238 S HN 0.716 nan 8.310 nan 0.000 0.497 2239 G N 3.354 112.218 108.800 0.105 0.000 2.179 2239 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 2239 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 2239 G C 0.464 175.399 174.900 0.059 0.000 0.977 2239 G CA 0.042 45.211 45.100 0.115 0.000 0.641 2239 G HN 0.924 nan 8.290 nan 0.000 0.533 2240 C N 1.028 120.352 119.300 0.039 0.000 2.580 2240 C HA 0.850 5.310 4.460 0.000 0.000 0.371 2240 C C 1.146 176.114 174.990 -0.038 0.000 1.308 2240 C CA 0.599 59.668 59.018 0.085 0.000 2.428 2240 C CB 1.096 28.952 27.740 0.194 0.000 2.529 2240 C HN 1.320 nan 8.230 nan 0.000 0.657 2241 S N -0.818 114.899 115.700 0.028 0.000 2.727 2241 S HA 0.735 5.205 4.470 0.000 0.000 0.278 2241 S C 0.034 174.688 174.600 0.090 0.000 1.186 2241 S CA 0.277 58.343 58.200 -0.223 0.000 0.836 2241 S CB 0.911 63.695 63.200 -0.694 0.000 1.186 2241 S HN 2.383 nan 8.310 nan 0.000 0.499 2242 G N 0.039 108.821 108.800 -0.030 0.000 2.143 2242 G HA2 -0.097 3.863 3.960 0.000 0.000 0.249 2242 G HA3 -0.097 3.863 3.960 0.000 0.000 0.249 2242 G C -0.294 174.750 174.900 0.240 0.000 0.981 2242 G CA 0.469 45.639 45.100 0.116 0.000 0.665 2242 G HN 1.818 nan 8.290 nan 0.000 0.528 2243 F N 0.608 120.623 119.950 0.108 0.000 2.556 2243 F HA 0.844 5.371 4.527 0.000 0.000 0.314 2243 F C 0.328 176.256 175.800 0.213 0.000 1.106 2243 F CA -1.558 56.526 58.000 0.141 0.000 0.911 2243 F CB 0.793 39.870 39.000 0.129 0.000 1.190 2243 F HN 0.443 nan 8.300 nan 0.000 0.448 2244 S N 1.161 117.001 115.700 0.233 0.000 2.587 2244 S HA 0.078 4.548 4.470 0.000 0.000 0.260 2244 S C 0.990 175.468 174.600 -0.204 0.000 1.353 2244 S CA 0.145 58.382 58.200 0.062 0.000 0.995 2244 S CB 0.681 64.014 63.200 0.222 0.000 0.912 2244 S HN 0.879 nan 8.310 nan 0.000 0.568 2245 E N 0.888 120.599 120.200 -0.816 0.000 2.358 2245 E HA -0.097 4.253 4.350 0.000 0.000 0.195 2245 E C 1.209 177.461 176.600 -0.580 0.000 1.010 2245 E CA 0.682 56.502 56.400 -0.966 0.000 0.856 2245 E CB -0.552 28.411 29.700 -1.229 0.000 0.795 2245 E HN 0.764 nan 8.360 nan 0.000 0.504 2246 F N 2.209 122.059 119.950 -0.166 0.000 2.098 2246 F HA 0.062 4.589 4.527 0.000 0.000 0.294 2246 F C 2.877 178.641 175.800 -0.059 0.000 1.107 2246 F CA 0.985 58.922 58.000 -0.106 0.000 1.234 2246 F CB -0.590 38.366 39.000 -0.074 0.000 1.002 2246 F HN 0.089 nan 8.300 nan 0.000 0.472 2247 A N 0.264 123.199 122.820 0.191 0.000 1.933 2247 A HA -0.179 4.141 4.320 0.000 0.000 0.218 2247 A C 2.079 179.722 177.584 0.099 0.000 1.175 2247 A CA 1.620 53.744 52.037 0.145 0.000 0.628 2247 A CB -1.046 18.071 19.000 0.195 0.000 0.814 2247 A HN 0.389 nan 8.150 nan 0.000 0.444 2248 L N -0.081 121.227 121.223 0.141 0.000 2.046 2248 L HA -0.208 4.132 4.340 0.000 0.000 0.208 2248 L C 2.484 179.352 176.870 -0.004 0.000 1.077 2248 L CA 2.745 57.659 54.840 0.123 0.000 0.747 2248 L CB -0.813 41.348 42.059 0.170 0.000 0.896 2248 L HN 0.618 nan 8.230 nan 0.000 0.432 2249 Q N -1.208 118.537 119.800 -0.093 0.000 2.030 2249 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 2249 Q C 2.233 178.119 176.000 -0.189 0.000 0.986 2249 Q CA 2.658 58.320 55.803 -0.235 0.000 0.843 2249 Q CB -0.383 28.123 28.738 -0.387 0.000 0.904 2249 Q HN 0.636 nan 8.270 nan 0.000 0.420 2250 T N 0.317 114.810 114.554 -0.101 0.000 2.720 2250 T HA -0.185 4.165 4.350 0.000 0.000 0.268 2250 T C 1.861 176.535 174.700 -0.043 0.000 1.037 2250 T CA 1.357 63.418 62.100 -0.065 0.000 1.144 2250 T CB -0.329 68.525 68.868 -0.024 0.000 0.864 2250 T HN 0.335 nan 8.240 nan 0.000 0.444 2251 L N 0.769 121.974 121.223 -0.029 0.000 2.012 2251 L HA 0.105 4.445 4.340 0.000 0.000 0.210 2251 L C 2.333 179.194 176.870 -0.015 0.000 1.073 2251 L CA 1.787 56.612 54.840 -0.025 0.000 0.748 2251 L CB -0.778 41.260 42.059 -0.035 0.000 0.891 2251 L HN 0.377 nan 8.230 nan 0.000 0.431 2252 L N -0.482 120.739 121.223 -0.004 0.000 2.201 2252 L HA -0.122 4.218 4.340 0.000 0.000 0.212 2252 L C 2.578 179.465 176.870 0.029 0.000 1.105 2252 L CA 1.218 56.075 54.840 0.027 0.000 0.775 2252 L CB -0.759 41.342 42.059 0.070 0.000 0.913 2252 L HN 0.549 nan 8.230 nan 0.000 0.440 2253 S N -2.073 113.627 115.700 -0.001 0.000 2.481 2253 S HA -0.120 4.350 4.470 0.000 0.000 0.231 2253 S C 2.046 176.649 174.600 0.005 0.000 0.996 2253 S CA 1.039 59.246 58.200 0.012 0.000 0.942 2253 S CB 0.059 63.243 63.200 -0.027 0.000 0.768 2253 S HN 0.345 nan 8.310 nan 0.000 0.520 2254 S N 0.107 115.803 115.700 -0.006 0.000 2.404 2254 S HA 0.092 4.562 4.470 0.000 0.000 0.223 2254 S C 0.888 175.483 174.600 -0.009 0.000 1.040 2254 S CA 0.360 58.554 58.200 -0.010 0.000 0.957 2254 S CB -0.671 62.519 63.200 -0.017 0.000 0.826 2254 S HN 0.673 nan 8.310 nan 0.000 0.491 2255 C N 4.024 123.319 119.300 -0.008 0.000 3.183 2255 C HA 0.349 4.809 4.460 0.000 0.000 0.545 2255 C C 1.817 176.805 174.990 -0.003 0.000 1.044 2255 C CA -0.052 58.959 59.018 -0.011 0.000 1.117 2255 C CB -1.910 25.822 27.740 -0.014 0.000 1.393 2255 C HN 0.699 nan 8.230 nan 0.000 0.611 2256 S N 0.302 116.000 115.700 -0.003 0.000 2.650 2256 S HA 0.044 4.514 4.470 0.000 0.000 0.219 2256 S C 0.894 175.491 174.600 -0.006 0.000 0.960 2256 S CA 0.136 58.337 58.200 0.001 0.000 0.925 2256 S CB -0.158 63.044 63.200 0.003 0.000 0.775 2256 S HN 0.747 nan 8.310 nan 0.000 0.525 2257 R N 0.235 120.727 120.500 -0.015 0.000 2.659 2257 R HA 0.443 4.783 4.340 0.000 0.000 0.418 2257 R C -0.972 175.313 176.300 -0.026 0.000 1.076 2257 R CA -0.366 55.722 56.100 -0.021 0.000 1.093 2257 R CB 0.243 30.526 30.300 -0.027 0.000 1.400 2257 R HN 0.219 nan 8.270 nan 0.000 0.583 2258 L N 1.005 122.217 121.223 -0.018 0.000 2.410 2258 L HA 0.117 4.457 4.340 0.000 0.000 0.273 2258 L C 0.758 177.620 176.870 -0.014 0.000 1.144 2258 L CA 0.707 55.535 54.840 -0.019 0.000 0.863 2258 L CB 1.034 43.091 42.059 -0.003 0.000 1.140 2258 L HN 0.119 nan 8.230 nan 0.000 0.463 2259 D N 1.928 122.315 120.400 -0.023 0.000 2.525 2259 D HA 0.086 4.726 4.640 0.000 0.000 0.248 2259 D C -0.308 175.990 176.300 -0.004 0.000 1.000 2259 D CA 0.629 54.620 54.000 -0.015 0.000 0.923 2259 D CB 0.581 41.365 40.800 -0.026 0.000 1.101 2259 D HN 0.626 nan 8.370 nan 0.000 0.493 2260 E N 0.218 120.413 120.200 -0.009 0.000 2.216 2260 E HA 0.387 4.737 4.350 0.000 0.000 0.260 2260 E C -1.460 175.154 176.600 0.024 0.000 0.880 2260 E CA -0.793 55.610 56.400 0.006 0.000 0.765 2260 E CB 2.469 32.172 29.700 0.005 0.000 1.174 2260 E HN 0.027 nan 8.360 nan 0.000 0.417 2261 L N 3.683 124.932 121.223 0.044 0.000 2.376 2261 L HA 0.380 4.720 4.340 0.000 0.000 0.275 2261 L C -1.191 175.730 176.870 0.084 0.000 0.987 2261 L CA -0.282 54.596 54.840 0.063 0.000 0.828 2261 L CB 1.464 43.563 42.059 0.067 0.000 1.249 2261 L HN 0.452 nan 8.230 nan 0.000 0.409 2262 N N 4.563 123.321 118.700 0.096 0.000 2.816 2262 N HA 0.267 5.007 4.740 0.000 0.000 0.236 2262 N C -0.766 174.822 175.510 0.132 0.000 1.076 2262 N CA -0.455 52.660 53.050 0.109 0.000 0.902 2262 N CB 0.610 39.159 38.487 0.103 0.000 1.149 2262 N HN 0.624 nan 8.380 nan 0.000 0.506 2263 L N 3.406 124.726 121.223 0.161 0.000 3.029 2263 L HA 0.311 4.651 4.340 0.000 0.000 0.231 2263 L C -0.176 176.832 176.870 0.230 0.000 1.327 2263 L CA -0.252 54.716 54.840 0.214 0.000 1.166 2263 L CB -0.398 41.828 42.059 0.278 0.000 1.532 2263 L HN 0.402 nan 8.230 nan 0.000 0.473 2264 S N -2.092 113.693 115.700 0.142 0.000 2.617 2264 S HA 0.475 4.945 4.470 0.000 0.000 0.283 2264 S C -0.326 174.260 174.600 -0.024 0.000 1.189 2264 S CA -0.523 57.682 58.200 0.008 0.000 1.036 2264 S CB 0.353 63.575 63.200 0.037 0.000 1.014 2264 S HN 0.399 nan 8.310 nan 0.000 0.522 2265 W N -0.248 120.826 121.300 -0.377 0.000 5.963 2265 W HA -0.200 4.460 4.660 0.000 0.000 0.400 2265 W C -0.351 176.025 176.519 -0.238 0.000 1.530 2265 W CA -0.533 56.611 57.345 -0.334 0.000 1.004 2265 W CB -2.196 27.169 29.460 -0.159 0.000 2.706 2265 W HN 0.676 nan 8.180 nan 0.000 1.495 2266 C N 2.474 121.620 119.300 -0.256 0.000 2.138 2266 C HA 0.153 4.613 4.460 0.000 0.000 0.398 2266 C C 2.201 176.941 174.990 -0.418 0.000 1.029 2266 C CA -0.357 58.319 59.018 -0.570 0.000 1.426 2266 C CB -2.213 24.590 27.740 -1.562 0.000 1.652 2266 C HN 0.476 nan 8.230 nan 0.000 0.486 2267 F N 0.742 120.649 119.950 -0.072 0.000 2.176 2267 F HA -0.218 4.309 4.527 0.000 0.000 0.301 2267 F C 1.526 177.331 175.800 0.008 0.000 1.071 2267 F CA 2.029 60.036 58.000 0.013 0.000 1.289 2267 F CB -0.808 38.220 39.000 0.046 0.000 1.028 2267 F HN 0.396 nan 8.300 nan 0.000 0.494 2268 D N -0.182 119.961 120.400 -0.429 0.000 2.218 2268 D HA -0.085 4.555 4.640 0.000 0.000 0.204 2268 D C 0.892 177.116 176.300 -0.126 0.000 0.976 2268 D CA 0.461 54.312 54.000 -0.249 0.000 0.853 2268 D CB -0.249 40.243 40.800 -0.513 0.000 0.939 2268 D HN 0.321 nan 8.370 nan 0.000 0.481 2269 F N 0.073 119.735 119.950 -0.481 0.000 2.628 2269 F HA 0.054 4.581 4.527 0.000 0.000 0.346 2269 F C 1.462 177.131 175.800 -0.217 0.000 1.188 2269 F CA 0.069 57.679 58.000 -0.650 0.000 1.376 2269 F CB 0.533 39.245 39.000 -0.480 0.000 1.104 2269 F HN -0.052 nan 8.300 nan 0.000 0.616 2270 T N -1.628 112.976 114.554 0.082 0.000 2.804 2270 T HA 0.261 4.611 4.350 0.000 0.000 0.290 2270 T C 0.288 175.012 174.700 0.039 0.000 1.099 2270 T CA -0.772 61.391 62.100 0.105 0.000 1.011 2270 T CB 1.584 70.514 68.868 0.104 0.000 1.291 2270 T HN 0.475 nan 8.240 nan 0.000 0.523 2271 E N 0.506 120.710 120.200 0.007 0.000 2.333 2271 E HA -0.016 4.334 4.350 0.000 0.000 0.198 2271 E C 1.697 178.238 176.600 -0.099 0.000 1.007 2271 E CA 0.693 57.071 56.400 -0.036 0.000 0.845 2271 E CB -0.195 29.494 29.700 -0.017 0.000 0.766 2271 E HN 0.410 nan 8.360 nan 0.000 0.507 2272 K N 0.628 120.951 120.400 -0.128 0.000 2.002 2272 K HA -0.144 4.176 4.320 0.000 0.000 0.209 2272 K C 2.037 178.416 176.600 -0.368 0.000 1.048 2272 K CA 1.807 57.938 56.287 -0.260 0.000 0.930 2272 K CB -0.687 31.591 32.500 -0.369 0.000 0.714 2272 K HN 0.382 nan 8.250 nan 0.000 0.438 2273 H N 0.435 119.214 119.070 -0.484 0.000 2.319 2273 H HA -0.079 4.477 4.556 0.000 0.000 0.299 2273 H C 2.168 177.167 175.328 -0.548 0.000 1.092 2273 H CA 1.579 57.181 56.048 -0.742 0.000 1.302 2273 H CB -0.449 28.372 29.762 -1.569 0.000 1.373 2273 H HN -0.105 nan 8.280 nan 0.000 0.497 2274 V N 0.589 120.326 119.914 -0.295 0.000 2.407 2274 V HA -0.267 3.853 4.120 0.000 0.000 0.248 2274 V C 2.093 178.111 176.094 -0.128 0.000 1.055 2274 V CA 1.888 64.060 62.300 -0.213 0.000 1.049 2274 V CB -0.479 31.238 31.823 -0.177 0.000 0.662 2274 V HN 0.462 nan 8.190 nan 0.000 0.455 2275 Q N -0.811 118.912 119.800 -0.127 0.000 2.172 2275 Q HA -0.105 4.236 4.340 0.000 0.000 0.200 2275 Q C 2.314 178.266 176.000 -0.080 0.000 0.964 2275 Q CA 1.279 57.026 55.803 -0.093 0.000 0.855 2275 Q CB -0.086 28.598 28.738 -0.090 0.000 0.918 2275 Q HN 0.538 nan 8.270 nan 0.000 0.444 2276 V N 0.585 120.442 119.914 -0.095 0.000 2.323 2276 V HA -0.246 3.874 4.120 0.000 0.000 0.244 2276 V C 2.190 178.322 176.094 0.063 0.000 1.041 2276 V CA 1.618 63.933 62.300 0.025 0.000 1.025 2276 V CB -0.930 30.834 31.823 -0.100 0.000 0.656 2276 V HN 0.403 nan 8.190 nan 0.000 0.451 2277 A N 0.978 123.785 122.820 -0.022 0.000 1.852 2277 A HA -0.257 4.063 4.320 0.000 0.000 0.217 2277 A C 2.386 179.986 177.584 0.027 0.000 1.215 2277 A CA 3.233 55.285 52.037 0.024 0.000 0.641 2277 A CB -1.217 17.792 19.000 0.015 0.000 0.838 2277 A HN 0.770 nan 8.150 nan 0.000 0.450 2278 V N -2.689 117.224 119.914 -0.003 0.000 2.594 2278 V HA 0.012 4.132 4.120 0.000 0.000 0.253 2278 V C 2.375 178.435 176.094 -0.058 0.000 1.069 2278 V CA 2.049 64.343 62.300 -0.010 0.000 1.082 2278 V CB -1.387 30.431 31.823 -0.009 0.000 0.680 2278 V HN 0.660 nan 8.190 nan 0.000 0.469 2279 A N -0.600 122.149 122.820 -0.119 0.000 2.123 2279 A HA 0.078 4.398 4.320 0.000 0.000 0.214 2279 A C 1.712 178.997 177.584 -0.498 0.000 1.152 2279 A CA 1.276 53.134 52.037 -0.297 0.000 0.728 2279 A CB -0.583 18.191 19.000 -0.377 0.000 0.814 2279 A HN 0.789 nan 8.150 nan 0.000 0.464 2280 H N -1.789 117.272 119.070 -0.014 0.000 3.233 2280 H HA 0.287 4.843 4.556 0.000 0.000 0.263 2280 H C -0.091 175.239 175.328 0.004 0.000 1.168 2280 H CA -0.235 55.809 56.048 -0.007 0.000 1.159 2280 H CB 0.660 30.414 29.762 -0.014 0.000 1.593 2280 H HN 0.206 nan 8.280 nan 0.000 0.580 2281 V N 0.809 120.773 119.914 0.083 0.000 2.963 2281 V HA -0.003 4.117 4.120 0.000 0.000 0.306 2281 V C 1.053 177.177 176.094 0.050 0.000 1.077 2281 V CA -0.472 61.868 62.300 0.068 0.000 1.124 2281 V CB 1.465 33.322 31.823 0.057 0.000 0.987 2281 V HN 0.301 nan 8.190 nan 0.000 0.487 2282 S N 1.537 117.262 115.700 0.042 0.000 2.549 2282 S HA 0.033 4.503 4.470 0.000 0.000 0.283 2282 S C 1.238 175.851 174.600 0.022 0.000 1.320 2282 S CA 0.036 58.254 58.200 0.029 0.000 1.058 2282 S CB 0.354 63.565 63.200 0.019 0.000 0.882 2282 S HN 1.002 nan 8.310 nan 0.000 0.498 2283 E N 2.447 122.657 120.200 0.017 0.000 2.515 2283 E HA -0.096 4.254 4.350 0.000 0.000 0.201 2283 E C 1.030 177.635 176.600 0.008 0.000 1.071 2283 E CA 1.172 57.581 56.400 0.014 0.000 0.880 2283 E CB -0.523 29.184 29.700 0.012 0.000 0.828 2283 E HN 0.756 nan 8.360 nan 0.000 0.540 2284 T N -1.218 113.338 114.554 0.003 0.000 3.081 2284 T HA 0.105 4.455 4.350 0.000 0.000 0.250 2284 T C 0.781 175.478 174.700 -0.005 0.000 1.100 2284 T CA -0.524 61.571 62.100 -0.009 0.000 1.038 2284 T CB -0.245 68.617 68.868 -0.011 0.000 0.962 2284 T HN 0.118 nan 8.240 nan 0.000 0.516 2285 I N 4.109 124.685 120.570 0.010 0.000 2.775 2285 I HA 0.154 4.324 4.170 0.000 0.000 0.290 2285 I C 1.354 177.487 176.117 0.027 0.000 1.203 2285 I CA 0.601 61.913 61.300 0.021 0.000 1.433 2285 I CB 1.023 39.044 38.000 0.036 0.000 1.354 2285 I HN 0.386 nan 8.210 nan 0.000 0.579 2286 T N 3.088 117.663 114.554 0.035 0.000 2.986 2286 T HA 0.308 4.658 4.350 0.000 0.000 0.264 2286 T C 0.371 175.137 174.700 0.110 0.000 0.964 2286 T CA -0.198 61.937 62.100 0.059 0.000 0.895 2286 T CB -0.028 68.865 68.868 0.042 0.000 1.163 2286 T HN 0.612 nan 8.240 nan 0.000 0.517 2287 Q N 0.869 120.718 119.800 0.082 0.000 2.275 2287 Q HA 0.658 4.998 4.340 0.000 0.000 0.266 2287 Q C -2.241 173.803 176.000 0.074 0.000 1.002 2287 Q CA -0.789 55.066 55.803 0.086 0.000 0.761 2287 Q CB 2.751 31.467 28.738 -0.036 0.000 1.255 2287 Q HN 0.278 nan 8.270 nan 0.000 0.446 2288 L N 3.094 124.376 121.223 0.099 0.000 2.438 2288 L HA 0.504 4.844 4.340 0.000 0.000 0.270 2288 L C -1.610 175.320 176.870 0.100 0.000 0.972 2288 L CA -0.240 54.656 54.840 0.094 0.000 0.831 2288 L CB 1.867 43.984 42.059 0.097 0.000 1.273 2288 L HN 0.493 nan 8.230 nan 0.000 0.405 2289 N N 5.712 124.471 118.700 0.098 0.000 2.626 2289 N HA 0.255 4.995 4.740 0.000 0.000 0.242 2289 N C -0.902 174.672 175.510 0.107 0.000 1.005 2289 N CA -0.206 52.902 53.050 0.096 0.000 0.905 2289 N CB 0.978 39.522 38.487 0.095 0.000 1.128 2289 N HN 0.840 nan 8.380 nan 0.000 0.512 2290 L N 2.440 123.729 121.223 0.110 0.000 2.984 2290 L HA 0.197 4.537 4.340 0.000 0.000 0.246 2290 L C 0.451 177.379 176.870 0.096 0.000 1.268 2290 L CA -0.126 54.818 54.840 0.174 0.000 1.054 2290 L CB -0.176 41.989 42.059 0.178 0.000 1.393 2290 L HN 0.421 nan 8.230 nan 0.000 0.532 2291 S N -1.866 113.775 115.700 -0.097 0.000 2.617 2291 S HA 0.575 5.045 4.470 0.000 0.000 0.269 2291 S C 1.111 175.054 174.600 -1.095 0.000 1.292 2291 S CA 0.318 58.307 58.200 -0.351 0.000 1.010 2291 S CB 1.688 64.786 63.200 -0.170 0.000 0.944 2291 S HN 0.507 nan 8.310 nan 0.000 0.536 2292 G N 0.342 108.361 108.800 -1.302 0.000 2.179 2292 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 2292 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 2292 G C 0.113 174.118 174.900 -1.492 0.000 0.990 2292 G CA 0.191 43.896 45.100 -2.325 0.000 0.646 2292 G HN 0.789 nan 8.290 nan 0.000 0.517 2293 Y N 0.846 120.874 120.300 -0.453 0.000 2.493 2293 Y HA 0.347 4.897 4.550 0.000 0.000 0.275 2293 Y C 2.206 178.040 175.900 -0.109 0.000 1.183 2293 Y CA 0.238 58.216 58.100 -0.203 0.000 1.258 2293 Y CB 0.056 38.463 38.460 -0.089 0.000 1.108 2293 Y HN 0.261 nan 8.280 nan 0.000 0.521 2294 R N 0.527 120.974 120.500 -0.089 0.000 2.458 2294 R HA -0.412 3.928 4.340 0.000 0.000 0.159 2294 R C 1.447 177.776 176.300 0.049 0.000 0.706 2294 R CA 2.808 58.901 56.100 -0.011 0.000 0.189 2294 R CB -0.773 29.536 30.300 0.016 0.000 0.585 2294 R HN 0.289 nan 8.270 nan 0.000 0.225 2295 K N -0.912 119.532 120.400 0.072 0.000 2.380 2295 K HA 0.180 4.500 4.320 0.000 0.000 0.198 2295 K C 0.887 177.530 176.600 0.071 0.000 1.070 2295 K CA -0.040 56.289 56.287 0.069 0.000 1.040 2295 K CB 0.485 33.026 32.500 0.068 0.000 0.903 2295 K HN 0.221 nan 8.250 nan 0.000 0.549 2296 N N 0.874 119.631 118.700 0.094 0.000 2.412 2296 N HA -0.019 4.721 4.740 0.000 0.000 0.184 2296 N C -0.084 175.464 175.510 0.063 0.000 1.101 2296 N CA 0.353 53.451 53.050 0.080 0.000 0.881 2296 N CB 0.588 39.135 38.487 0.100 0.000 0.969 2296 N HN 0.160 nan 8.380 nan 0.000 0.459 2297 L N 2.100 123.372 121.223 0.082 0.000 2.280 2297 L HA 0.225 4.565 4.340 0.000 0.000 0.287 2297 L C -0.575 176.325 176.870 0.051 0.000 1.023 2297 L CA -0.610 54.270 54.840 0.066 0.000 0.819 2297 L CB 0.815 42.935 42.059 0.102 0.000 1.212 2297 L HN -0.143 nan 8.230 nan 0.000 0.420 2298 Q N 3.241 123.060 119.800 0.032 0.000 2.199 2298 Q HA 0.127 4.467 4.340 0.000 0.000 0.232 2298 Q C 0.461 176.475 176.000 0.024 0.000 0.969 2298 Q CA -0.413 55.406 55.803 0.027 0.000 0.925 2298 Q CB 1.328 30.075 28.738 0.014 0.000 1.198 2298 Q HN 0.601 nan 8.270 nan 0.000 0.494 2299 K N 0.754 121.165 120.400 0.019 0.000 2.103 2299 K HA -0.194 4.126 4.320 0.000 0.000 0.207 2299 K C 1.663 178.260 176.600 -0.005 0.000 1.048 2299 K CA 1.885 58.176 56.287 0.007 0.000 0.930 2299 K CB 0.005 32.505 32.500 0.000 0.000 0.716 2299 K HN 0.643 nan 8.250 nan 0.000 0.444 2300 S N 1.293 116.991 115.700 -0.004 0.000 2.374 2300 S HA -0.193 4.277 4.470 0.000 0.000 0.227 2300 S C 1.481 176.075 174.600 -0.010 0.000 1.037 2300 S CA 1.629 59.823 58.200 -0.010 0.000 1.024 2300 S CB -0.543 62.651 63.200 -0.010 0.000 0.861 2300 S HN 0.364 nan 8.310 nan 0.000 0.456 2301 D N 1.529 121.927 120.400 -0.004 0.000 2.144 2301 D HA -0.017 4.623 4.640 0.000 0.000 0.199 2301 D C 1.964 178.269 176.300 0.008 0.000 0.984 2301 D CA 0.712 54.710 54.000 -0.003 0.000 0.834 2301 D CB -0.410 40.391 40.800 0.002 0.000 0.955 2301 D HN 0.324 nan 8.370 nan 0.000 0.465 2302 L N 0.964 122.195 121.223 0.013 0.000 2.046 2302 L HA -0.181 4.159 4.340 0.000 0.000 0.208 2302 L C 2.187 179.054 176.870 -0.005 0.000 1.077 2302 L CA 1.084 55.934 54.840 0.017 0.000 0.747 2302 L CB -0.152 41.903 42.059 -0.007 0.000 0.896 2302 L HN -0.038 nan 8.230 nan 0.000 0.432 2303 S N -0.517 115.171 115.700 -0.019 0.000 2.351 2303 S HA -0.207 4.263 4.470 0.000 0.000 0.220 2303 S C 1.782 176.377 174.600 -0.009 0.000 1.035 2303 S CA 1.965 60.153 58.200 -0.020 0.000 1.031 2303 S CB -0.610 62.578 63.200 -0.021 0.000 0.928 2303 S HN 0.517 nan 8.310 nan 0.000 0.433 2304 T N 3.229 117.776 114.554 -0.012 0.000 2.570 2304 T HA -0.169 4.181 4.350 0.000 0.000 0.266 2304 T C 1.800 176.496 174.700 -0.006 0.000 1.071 2304 T CA 1.637 63.726 62.100 -0.017 0.000 1.172 2304 T CB -0.816 68.034 68.868 -0.031 0.000 0.864 2304 T HN 0.225 nan 8.240 nan 0.000 0.421 2305 L N 1.435 122.661 121.223 0.006 0.000 1.976 2305 L HA -0.175 4.165 4.340 0.000 0.000 0.223 2305 L C 2.500 179.393 176.870 0.039 0.000 1.081 2305 L CA 1.824 56.679 54.840 0.026 0.000 0.784 2305 L CB -1.010 41.079 42.059 0.050 0.000 0.896 2305 L HN 0.165 nan 8.230 nan 0.000 0.438 2306 V N -0.189 119.752 119.914 0.045 0.000 2.380 2306 V HA -0.324 3.796 4.120 0.000 0.000 0.251 2306 V C 2.784 178.905 176.094 0.045 0.000 1.063 2306 V CA 2.234 64.568 62.300 0.057 0.000 1.055 2306 V CB -0.897 30.953 31.823 0.045 0.000 0.657 2306 V HN 0.520 nan 8.190 nan 0.000 0.455 2307 R N -0.256 120.259 120.500 0.025 0.000 2.115 2307 R HA -0.075 4.266 4.340 0.000 0.000 0.230 2307 R C 2.414 178.725 176.300 0.019 0.000 1.111 2307 R CA 1.285 57.396 56.100 0.019 0.000 0.976 2307 R CB -0.010 30.293 30.300 0.004 0.000 0.870 2307 R HN 0.474 nan 8.270 nan 0.000 0.445 2308 R N -1.622 118.887 120.500 0.015 0.000 2.265 2308 R HA 0.145 4.485 4.340 0.000 0.000 0.194 2308 R C 0.202 176.516 176.300 0.023 0.000 0.931 2308 R CA 0.181 56.287 56.100 0.010 0.000 1.032 2308 R CB 0.776 31.070 30.300 -0.010 0.000 0.980 2308 R HN 0.119 nan 8.270 nan 0.000 0.497 2309 C N 2.075 121.398 119.300 0.039 0.000 3.335 2309 C HA 0.271 4.731 4.460 0.000 0.000 0.217 2309 C C -1.537 173.494 174.990 0.069 0.000 1.330 2309 C CA -1.400 57.646 59.018 0.047 0.000 1.470 2309 C CB 1.003 28.774 27.740 0.051 0.000 1.806 2309 C HN 0.213 nan 8.230 nan 0.000 0.468 2310 P HA -0.094 nan 4.420 nan 0.000 0.236 2310 P C 0.578 177.968 177.300 0.149 0.000 1.172 2310 P CA 1.305 64.474 63.100 0.116 0.000 0.759 2310 P CB 0.216 31.982 31.700 0.111 0.000 0.843 2311 N N -0.430 118.313 118.700 0.073 0.000 2.205 2311 N HA 0.121 4.861 4.740 0.000 0.000 0.201 2311 N C 0.680 176.225 175.510 0.057 0.000 1.128 2311 N CA -0.159 52.894 53.050 0.005 0.000 0.867 2311 N CB 0.294 38.725 38.487 -0.092 0.000 0.996 2311 N HN 0.243 nan 8.380 nan 0.000 0.503 2312 L N 1.268 122.552 121.223 0.102 0.000 2.615 2312 L HA -0.071 4.269 4.340 0.000 0.000 0.284 2312 L C 1.363 178.313 176.870 0.134 0.000 1.237 2312 L CA 0.060 54.968 54.840 0.113 0.000 0.905 2312 L CB 0.580 42.707 42.059 0.114 0.000 1.149 2312 L HN -0.112 nan 8.230 nan 0.000 0.499 2313 V N 1.412 121.412 119.914 0.144 0.000 3.359 2313 V HA 0.090 4.210 4.120 0.000 0.000 0.245 2313 V C 0.390 176.526 176.094 0.070 0.000 1.247 2313 V CA 0.237 62.620 62.300 0.138 0.000 1.145 2313 V CB 0.074 32.011 31.823 0.190 0.000 0.906 2313 V HN 0.661 nan 8.190 nan 0.000 0.464 2314 H N 0.896 120.017 119.070 0.085 0.000 2.646 2314 H HA 0.564 5.120 4.556 0.000 0.000 0.328 2314 H C -1.516 173.839 175.328 0.044 0.000 0.998 2314 H CA -0.453 55.636 56.048 0.069 0.000 1.225 2314 H CB 2.430 32.209 29.762 0.028 0.000 1.457 2314 H HN 0.093 nan 8.280 nan 0.000 0.505 2315 L N 4.460 125.743 121.223 0.100 0.000 2.406 2315 L HA 0.289 4.629 4.340 0.000 0.000 0.270 2315 L C -0.906 175.978 176.870 0.025 0.000 0.982 2315 L CA -0.433 54.445 54.840 0.062 0.000 0.843 2315 L CB 1.519 43.596 42.059 0.031 0.000 1.225 2315 L HN 0.525 nan 8.230 nan 0.000 0.412 2316 D N 5.333 125.769 120.400 0.060 0.000 2.440 2316 D HA 0.313 4.953 4.640 0.000 0.000 0.239 2316 D C -0.395 175.930 176.300 0.042 0.000 1.084 2316 D CA -0.098 53.928 54.000 0.044 0.000 0.843 2316 D CB 1.249 42.092 40.800 0.073 0.000 1.097 2316 D HN 0.674 nan 8.370 nan 0.000 0.531 2317 L N 2.565 123.802 121.223 0.024 0.000 3.141 2317 L HA 0.198 4.538 4.340 0.000 0.000 0.267 2317 L C 0.596 177.468 176.870 0.003 0.000 1.281 2317 L CA -0.313 54.550 54.840 0.037 0.000 1.037 2317 L CB 0.519 42.637 42.059 0.098 0.000 1.407 2317 L HN 0.171 nan 8.230 nan 0.000 0.566 2318 S N 0.721 116.419 115.700 -0.004 0.000 2.558 2318 S HA -0.061 4.409 4.470 0.000 0.000 0.291 2318 S C 0.467 175.028 174.600 -0.064 0.000 1.306 2318 S CA 0.215 58.414 58.200 -0.002 0.000 1.056 2318 S CB 0.137 63.373 63.200 0.061 0.000 0.836 2318 S HN 0.496 nan 8.310 nan 0.000 0.504 2319 D N 0.669 121.031 120.400 -0.064 0.000 2.746 2319 D HA -0.125 4.515 4.640 0.000 0.000 0.236 2319 D C -0.820 175.403 176.300 -0.128 0.000 1.129 2319 D CA 0.700 54.635 54.000 -0.110 0.000 0.691 2319 D CB -1.460 39.296 40.800 -0.073 0.000 1.077 2319 D HN 0.397 nan 8.370 nan 0.000 0.432 2320 S N 0.064 115.722 115.700 -0.071 0.000 2.252 2320 S HA 0.276 4.746 4.470 0.000 0.000 0.180 2320 S C 1.869 176.476 174.600 0.011 0.000 1.534 2320 S CA -0.356 57.835 58.200 -0.014 0.000 1.141 2320 S CB 1.379 64.599 63.200 0.034 0.000 1.122 2320 S HN 0.267 nan 8.310 nan 0.000 0.475 2321 V N 0.309 120.224 119.914 0.003 0.000 2.317 2321 V HA -0.266 3.854 4.120 0.000 0.000 0.251 2321 V C 2.118 178.254 176.094 0.070 0.000 1.065 2321 V CA 1.516 63.842 62.300 0.043 0.000 1.049 2321 V CB -0.931 30.942 31.823 0.083 0.000 0.651 2321 V HN 0.637 nan 8.190 nan 0.000 0.450 2322 M N 0.162 119.801 119.600 0.064 0.000 2.435 2322 M HA 0.121 4.601 4.480 0.000 0.000 0.262 2322 M C 0.941 177.284 176.300 0.072 0.000 1.065 2322 M CA 0.789 56.127 55.300 0.063 0.000 1.076 2322 M CB -1.398 31.234 32.600 0.054 0.000 1.403 2322 M HN 0.365 nan 8.290 nan 0.000 0.454 2323 L N 2.899 124.178 121.223 0.093 0.000 2.295 2323 L HA 0.192 4.532 4.340 0.000 0.000 0.288 2323 L C 0.297 177.268 176.870 0.168 0.000 1.079 2323 L CA -0.189 54.733 54.840 0.136 0.000 0.830 2323 L CB -0.044 42.123 42.059 0.182 0.000 1.200 2323 L HN 0.184 nan 8.230 nan 0.000 0.438 2324 K N 2.163 122.638 120.400 0.125 0.000 2.328 2324 K HA 0.260 4.580 4.320 0.000 0.000 0.246 2324 K C 0.692 177.257 176.600 -0.058 0.000 0.955 2324 K CA -0.877 55.451 56.287 0.067 0.000 0.817 2324 K CB 1.542 34.051 32.500 0.014 0.000 1.208 2324 K HN 0.391 nan 8.250 nan 0.000 0.432 2325 N N 2.260 120.729 118.700 -0.386 0.000 2.249 2325 N HA -0.321 4.419 4.740 0.000 0.000 0.201 2325 N C 0.720 175.833 175.510 -0.662 0.000 0.970 2325 N CA 2.730 55.018 53.050 -1.270 0.000 0.925 2325 N CB -0.671 37.242 38.487 -0.956 0.000 1.046 2325 N HN 0.857 nan 8.380 nan 0.000 0.526 2326 D N 0.037 120.270 120.400 -0.278 0.000 2.411 2326 D HA -0.105 4.535 4.640 0.000 0.000 0.226 2326 D C 1.927 178.187 176.300 -0.066 0.000 0.988 2326 D CA 1.100 55.015 54.000 -0.142 0.000 0.938 2326 D CB -0.686 40.062 40.800 -0.086 0.000 0.883 2326 D HN 0.648 nan 8.370 nan 0.000 0.525 2327 C N -2.694 116.599 119.300 -0.012 0.000 3.019 2327 C HA 0.372 4.832 4.460 0.000 0.000 0.295 2327 C C 2.050 177.059 174.990 0.032 0.000 1.256 2327 C CA -0.726 58.292 59.018 0.000 0.000 1.706 2327 C CB -1.299 26.428 27.740 -0.021 0.000 2.153 2327 C HN 0.059 nan 8.230 nan 0.000 0.618 2328 F N 3.433 123.343 119.950 -0.066 0.000 2.225 2328 F HA -0.191 4.336 4.527 0.000 0.000 0.302 2328 F C 2.547 178.470 175.800 0.204 0.000 1.068 2328 F CA 2.069 60.139 58.000 0.116 0.000 1.327 2328 F CB -1.231 37.951 39.000 0.303 0.000 1.043 2328 F HN 0.459 nan 8.300 nan 0.000 0.506 2329 Q N -0.023 119.951 119.800 0.290 0.000 2.135 2329 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 2329 Q C 1.814 177.930 176.000 0.194 0.000 0.981 2329 Q CA 1.672 57.606 55.803 0.219 0.000 0.856 2329 Q CB -0.707 28.059 28.738 0.046 0.000 0.902 2329 Q HN 0.298 nan 8.270 nan 0.000 0.425 2330 E N 0.889 121.078 120.200 -0.018 0.000 2.058 2330 E HA -0.161 4.189 4.350 0.000 0.000 0.194 2330 E C 1.898 178.492 176.600 -0.009 0.000 0.997 2330 E CA 1.175 57.515 56.400 -0.100 0.000 0.801 2330 E CB -0.405 29.118 29.700 -0.295 0.000 0.746 2330 E HN 0.526 nan 8.360 nan 0.000 0.450 2331 F N -0.235 119.786 119.950 0.119 0.000 2.307 2331 F HA -0.165 4.362 4.527 0.000 0.000 0.301 2331 F C 2.083 177.828 175.800 -0.092 0.000 1.076 2331 F CA 0.257 58.239 58.000 -0.031 0.000 1.383 2331 F CB -0.324 38.575 39.000 -0.168 0.000 1.055 2331 F HN -0.030 nan 8.300 nan 0.000 0.526 2332 F N -0.029 120.015 119.950 0.156 0.000 2.502 2332 F HA -0.114 4.413 4.527 0.000 0.000 0.298 2332 F C 2.204 178.038 175.800 0.057 0.000 1.111 2332 F CA 0.667 58.721 58.000 0.090 0.000 1.445 2332 F CB -0.420 38.621 39.000 0.068 0.000 1.081 2332 F HN -0.087 nan 8.300 nan 0.000 0.558 2333 Q N 0.242 120.168 119.800 0.211 0.000 2.369 2333 Q HA 0.043 4.383 4.340 0.000 0.000 0.206 2333 Q C 0.532 176.597 176.000 0.108 0.000 0.963 2333 Q CA 0.674 56.557 55.803 0.134 0.000 0.894 2333 Q CB -0.263 28.536 28.738 0.102 0.000 0.965 2333 Q HN 0.368 nan 8.270 nan 0.000 0.475 2334 L N 2.455 123.743 121.223 0.108 0.000 2.302 2334 L HA 0.200 4.540 4.340 0.000 0.000 0.285 2334 L C 0.734 177.623 176.870 0.032 0.000 1.090 2334 L CA -0.423 54.479 54.840 0.104 0.000 0.866 2334 L CB 0.363 42.493 42.059 0.119 0.000 1.244 2334 L HN -0.082 nan 8.230 nan 0.000 0.435 2335 N N 1.594 120.284 118.700 -0.016 0.000 2.571 2335 N HA -0.093 4.647 4.740 0.000 0.000 0.189 2335 N C 0.388 175.576 175.510 -0.538 0.000 1.154 2335 N CA 0.970 53.851 53.050 -0.282 0.000 0.907 2335 N CB 0.148 38.384 38.487 -0.418 0.000 0.977 2335 N HN 0.588 nan 8.380 nan 0.000 0.449 2336 Y N -0.490 119.812 120.300 0.004 0.000 2.626 2336 Y HA 0.288 4.838 4.550 0.000 0.000 0.248 2336 Y C 0.301 176.186 175.900 -0.025 0.000 1.147 2336 Y CA -1.030 57.069 58.100 -0.002 0.000 1.219 2336 Y CB 0.172 38.643 38.460 0.018 0.000 1.279 2336 Y HN -0.114 nan 8.280 nan 0.000 0.541 2337 L N 1.837 123.094 121.223 0.056 0.000 2.601 2337 L HA -0.034 4.306 4.340 0.000 0.000 0.277 2337 L C 0.702 177.508 176.870 -0.108 0.000 1.219 2337 L CA 1.280 56.105 54.840 -0.026 0.000 0.915 2337 L CB 0.657 42.667 42.059 -0.081 0.000 1.160 2337 L HN 0.376 nan 8.230 nan 0.000 0.494 2338 Q N 2.488 122.202 119.800 -0.143 0.000 2.384 2338 Q HA 0.204 4.544 4.340 0.000 0.000 0.264 2338 Q C -0.687 174.905 176.000 -0.679 0.000 0.825 2338 Q CA 0.051 55.660 55.803 -0.323 0.000 0.984 2338 Q CB 0.847 29.479 28.738 -0.177 0.000 1.183 2338 Q HN 0.751 nan 8.270 nan 0.000 0.537 2339 H N -0.035 118.837 119.070 -0.330 0.000 3.013 2339 H HA 0.421 4.977 4.556 0.000 0.000 0.326 2339 H C -1.609 173.577 175.328 -0.235 0.000 0.973 2339 H CA -0.510 55.357 56.048 -0.302 0.000 1.369 2339 H CB 1.626 31.147 29.762 -0.402 0.000 1.598 2339 H HN -0.023 nan 8.280 nan 0.000 0.518 2340 L N 1.998 123.111 121.223 -0.184 0.000 2.346 2340 L HA 0.761 5.102 4.340 0.000 0.000 0.274 2340 L C -0.737 176.019 176.870 -0.191 0.000 1.007 2340 L CA -0.104 54.578 54.840 -0.263 0.000 0.818 2340 L CB 1.924 43.686 42.059 -0.495 0.000 1.284 2340 L HN 0.522 nan 8.230 nan 0.000 0.424 2341 S N 5.303 120.914 115.700 -0.149 0.000 2.647 2341 S HA 0.592 5.062 4.470 0.000 0.000 0.300 2341 S C -0.133 174.424 174.600 -0.072 0.000 1.129 2341 S CA -0.368 57.791 58.200 -0.070 0.000 1.029 2341 S CB 1.086 64.296 63.200 0.017 0.000 1.007 2341 S HN 0.637 nan 8.310 nan 0.000 0.484 2342 L N 1.748 122.934 121.223 -0.062 0.000 3.289 2342 L HA 0.276 4.616 4.340 0.000 0.000 0.291 2342 L C 0.186 177.059 176.870 0.006 0.000 1.279 2342 L CA -0.203 54.621 54.840 -0.027 0.000 1.025 2342 L CB 0.623 42.659 42.059 -0.038 0.000 1.413 2342 L HN 0.460 nan 8.230 nan 0.000 0.593 2343 S N 0.917 116.644 115.700 0.044 0.000 2.593 2343 S HA 0.052 4.522 4.470 0.000 0.000 0.300 2343 S C 1.010 175.599 174.600 -0.017 0.000 1.267 2343 S CA 0.134 58.386 58.200 0.087 0.000 1.065 2343 S CB 0.267 63.589 63.200 0.203 0.000 0.807 2343 S HN 0.494 nan 8.310 nan 0.000 0.499 2344 R N -0.686 119.766 120.500 -0.080 0.000 3.951 2344 R HA -0.170 4.170 4.340 0.000 0.000 0.352 2344 R C -0.688 175.224 176.300 -0.647 0.000 1.178 2344 R CA 0.643 56.472 56.100 -0.451 0.000 0.949 2344 R CB -2.461 27.611 30.300 -0.380 0.000 1.452 2344 R HN 0.641 nan 8.270 nan 0.000 0.540 2345 C N 1.485 120.642 119.300 -0.237 0.000 2.400 2345 C HA 0.177 4.637 4.460 0.000 0.000 0.457 2345 C C 1.743 176.734 174.990 0.001 0.000 1.020 2345 C CA -0.639 58.316 59.018 -0.107 0.000 1.258 2345 C CB -1.644 26.119 27.740 0.038 0.000 1.532 2345 C HN 0.402 nan 8.230 nan 0.000 0.537 2346 Y N 0.457 120.809 120.300 0.087 0.000 2.096 2346 Y HA -0.243 4.307 4.550 0.000 0.000 0.278 2346 Y C 1.699 177.638 175.900 0.066 0.000 1.192 2346 Y CA 0.918 59.061 58.100 0.073 0.000 1.143 2346 Y CB -0.047 38.450 38.460 0.062 0.000 0.963 2346 Y HN 0.517 nan 8.280 nan 0.000 0.505 2347 D N 0.779 121.310 120.400 0.218 0.000 2.652 2347 D HA 0.131 4.771 4.640 0.000 0.000 0.247 2347 D C -0.372 175.990 176.300 0.104 0.000 1.232 2347 D CA 0.620 54.702 54.000 0.136 0.000 0.863 2347 D CB -0.634 40.228 40.800 0.103 0.000 1.023 2347 D HN 0.296 nan 8.370 nan 0.000 0.474 2348 I N 1.628 122.277 120.570 0.131 0.000 2.330 2348 I HA 0.117 4.287 4.170 0.000 0.000 0.289 2348 I C 0.045 176.222 176.117 0.099 0.000 1.001 2348 I CA -0.873 60.502 61.300 0.125 0.000 1.193 2348 I CB 1.578 39.713 38.000 0.225 0.000 1.345 2348 I HN -0.262 nan 8.210 nan 0.000 0.461 2349 I N 9.508 130.109 120.570 0.050 0.000 2.505 2349 I HA 0.083 4.253 4.170 0.000 0.000 0.287 2349 I C -1.261 174.896 176.117 0.066 0.000 1.104 2349 I CA -1.977 59.349 61.300 0.044 0.000 1.387 2349 I CB 0.169 38.176 38.000 0.011 0.000 1.404 2349 I HN 0.308 nan 8.210 nan 0.000 0.528 2350 P HA -0.261 nan 4.420 nan 0.000 0.222 2350 P C 1.561 178.903 177.300 0.070 0.000 1.159 2350 P CA 1.574 64.714 63.100 0.066 0.000 0.920 2350 P CB 0.306 32.033 31.700 0.045 0.000 0.793 2351 E N -1.140 119.091 120.200 0.052 0.000 2.086 2351 E HA -0.252 4.098 4.350 0.000 0.000 0.200 2351 E C 1.953 178.596 176.600 0.072 0.000 1.012 2351 E CA 2.307 58.737 56.400 0.049 0.000 0.812 2351 E CB -0.509 29.210 29.700 0.030 0.000 0.743 2351 E HN 0.385 nan 8.360 nan 0.000 0.453 2352 T N -0.812 113.785 114.554 0.072 0.000 2.881 2352 T HA -0.134 4.216 4.350 0.000 0.000 0.270 2352 T C 1.892 176.756 174.700 0.273 0.000 1.068 2352 T CA 0.916 63.069 62.100 0.090 0.000 1.131 2352 T CB -0.427 68.409 68.868 -0.053 0.000 0.871 2352 T HN 0.144 nan 8.240 nan 0.000 0.479 2353 L N -0.185 121.214 121.223 0.293 0.000 2.261 2353 L HA -0.041 4.299 4.340 0.000 0.000 0.216 2353 L C 2.531 179.527 176.870 0.209 0.000 1.114 2353 L CA 0.357 55.381 54.840 0.308 0.000 0.777 2353 L CB -0.770 41.380 42.059 0.151 0.000 0.910 2353 L HN 0.246 nan 8.230 nan 0.000 0.440 2354 L N 0.113 121.438 121.223 0.172 0.000 2.127 2354 L HA -0.234 4.106 4.340 0.000 0.000 0.211 2354 L C 2.477 179.457 176.870 0.183 0.000 1.089 2354 L CA 1.686 56.609 54.840 0.138 0.000 0.757 2354 L CB -0.703 41.418 42.059 0.104 0.000 0.899 2354 L HN 0.307 nan 8.230 nan 0.000 0.434 2355 E N -0.797 119.560 120.200 0.262 0.000 2.058 2355 E HA -0.258 4.092 4.350 0.000 0.000 0.194 2355 E C 2.245 179.069 176.600 0.373 0.000 0.997 2355 E CA 1.377 57.987 56.400 0.349 0.000 0.801 2355 E CB -0.312 29.678 29.700 0.484 0.000 0.746 2355 E HN 0.457 nan 8.360 nan 0.000 0.450 2356 L N 0.495 121.867 121.223 0.248 0.000 2.089 2356 L HA -0.192 4.148 4.340 0.000 0.000 0.213 2356 L C 2.598 179.472 176.870 0.007 0.000 1.079 2356 L CA 1.221 56.059 54.840 -0.004 0.000 0.758 2356 L CB -0.964 40.991 42.059 -0.173 0.000 0.891 2356 L HN 0.268 nan 8.230 nan 0.000 0.433 2357 G N -0.422 108.443 108.800 0.108 0.000 2.499 2357 G HA2 -0.265 3.695 3.960 0.000 0.000 0.221 2357 G HA3 -0.265 3.695 3.960 0.000 0.000 0.221 2357 G C 1.411 176.447 174.900 0.226 0.000 1.109 2357 G CA 0.711 45.950 45.100 0.231 0.000 0.749 2357 G HN 0.472 nan 8.290 nan 0.000 0.568 2358 E N -0.536 119.783 120.200 0.198 0.000 2.427 2358 E HA 0.097 4.447 4.350 0.000 0.000 0.196 2358 E C 0.435 177.149 176.600 0.191 0.000 1.028 2358 E CA -0.404 56.134 56.400 0.231 0.000 0.864 2358 E CB 0.056 29.987 29.700 0.384 0.000 0.813 2358 E HN 0.421 nan 8.360 nan 0.000 0.514 2359 I N 2.597 123.128 120.570 -0.066 0.000 2.574 2359 I HA -0.035 4.135 4.170 0.000 0.000 0.291 2359 I C -1.667 174.402 176.117 -0.079 0.000 1.131 2359 I CA -1.276 59.865 61.300 -0.265 0.000 1.352 2359 I CB 0.561 38.265 38.000 -0.493 0.000 1.431 2359 I HN -0.120 nan 8.210 nan 0.000 0.543 2360 P HA -0.251 nan 4.420 nan 0.000 0.219 2360 P C 1.299 178.576 177.300 -0.038 0.000 1.153 2360 P CA 1.702 64.792 63.100 -0.017 0.000 0.865 2360 P CB 0.008 31.698 31.700 -0.017 0.000 0.788 2361 T N -5.112 109.392 114.554 -0.083 0.000 3.037 2361 T HA 0.143 4.493 4.350 0.000 0.000 0.251 2361 T C 0.640 175.257 174.700 -0.138 0.000 1.079 2361 T CA -0.325 61.718 62.100 -0.096 0.000 1.067 2361 T CB -0.708 68.097 68.868 -0.106 0.000 0.948 2361 T HN -0.129 nan 8.240 nan 0.000 0.496 2362 L N 2.388 123.509 121.223 -0.170 0.000 2.628 2362 L HA 0.168 4.508 4.340 0.000 0.000 0.274 2362 L C 1.043 177.748 176.870 -0.275 0.000 1.209 2362 L CA 0.662 55.351 54.840 -0.251 0.000 0.930 2362 L CB 0.306 42.209 42.059 -0.259 0.000 1.183 2362 L HN 0.086 nan 8.230 nan 0.000 0.492 2363 K N 1.721 121.885 120.400 -0.393 0.000 2.350 2363 K HA 0.183 4.503 4.320 0.000 0.000 0.196 2363 K C 0.099 176.480 176.600 -0.365 0.000 1.084 2363 K CA 0.817 56.882 56.287 -0.369 0.000 0.967 2363 K CB 0.545 32.809 32.500 -0.393 0.000 0.950 2363 K HN 0.804 nan 8.250 nan 0.000 0.512 2364 T N -1.019 113.277 114.554 -0.429 0.000 2.900 2364 T HA 0.620 4.970 4.350 0.000 0.000 0.303 2364 T C -1.510 173.047 174.700 -0.238 0.000 1.142 2364 T CA -0.941 61.004 62.100 -0.259 0.000 1.007 2364 T CB 1.912 70.727 68.868 -0.088 0.000 1.156 2364 T HN -0.028 nan 8.240 nan 0.000 0.490 2365 L N 1.301 122.409 121.223 -0.193 0.000 2.493 2365 L HA 0.609 4.949 4.340 0.000 0.000 0.265 2365 L C -1.577 175.197 176.870 -0.161 0.000 0.954 2365 L CA -0.406 54.318 54.840 -0.193 0.000 0.844 2365 L CB 2.321 44.242 42.059 -0.229 0.000 1.302 2365 L HN 0.716 nan 8.230 nan 0.000 0.405 2366 Q N 4.863 124.596 119.800 -0.111 0.000 2.333 2366 Q HA 0.569 4.909 4.340 0.000 0.000 0.265 2366 Q C -0.429 175.528 176.000 -0.071 0.000 0.989 2366 Q CA -0.416 55.347 55.803 -0.066 0.000 0.842 2366 Q CB 2.351 31.172 28.738 0.138 0.000 1.262 2366 Q HN 0.627 nan 8.270 nan 0.000 0.451 2367 V N -0.977 118.825 119.914 -0.187 0.000 2.724 2367 V HA 0.400 4.520 4.120 0.000 0.000 0.341 2367 V C -0.255 175.781 176.094 -0.095 0.000 1.254 2367 V CA -0.722 61.521 62.300 -0.096 0.000 1.261 2367 V CB -0.708 31.055 31.823 -0.101 0.000 1.445 2367 V HN 0.400 nan 8.190 nan 0.000 0.652 2368 F N 2.025 121.954 119.950 -0.035 0.000 2.563 2368 F HA 0.572 5.099 4.527 0.000 0.000 0.363 2368 F C 1.745 177.564 175.800 0.031 0.000 1.123 2368 F CA 1.688 59.682 58.000 -0.009 0.000 1.307 2368 F CB 0.588 39.579 39.000 -0.015 0.000 1.115 2368 F HN 0.576 nan 8.300 nan 0.000 0.592 2369 G N 2.435 111.377 108.800 0.236 0.000 2.162 2369 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 2369 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 2369 G C 0.560 175.613 174.900 0.255 0.000 0.976 2369 G CA 0.490 45.737 45.100 0.245 0.000 0.655 2369 G HN 0.937 nan 8.290 nan 0.000 0.533 2370 I N -2.864 117.805 120.570 0.164 0.000 4.338 2370 I HA 0.567 4.737 4.170 0.000 0.000 0.329 2370 I C 0.022 176.198 176.117 0.098 0.000 1.378 2370 I CA -0.482 60.918 61.300 0.167 0.000 1.170 2370 I CB 0.960 39.049 38.000 0.149 0.000 1.206 2370 I HN -0.087 nan 8.210 nan 0.000 0.432 2371 V N 5.470 125.419 119.914 0.060 0.000 2.318 2371 V HA 0.393 4.513 4.120 0.000 0.000 0.271 2371 V C -1.872 174.241 176.094 0.032 0.000 1.030 2371 V CA -1.400 60.916 62.300 0.027 0.000 0.844 2371 V CB 0.608 32.420 31.823 -0.019 0.000 1.015 2371 V HN 0.205 nan 8.190 nan 0.000 0.460 2372 P HA -0.000 nan 4.420 nan 0.000 0.265 2372 P C -0.318 176.993 177.300 0.019 0.000 1.187 2372 P CA -0.060 63.056 63.100 0.027 0.000 0.766 2372 P CB 0.717 32.430 31.700 0.022 0.000 0.820 2373 D N 1.271 121.683 120.400 0.020 0.000 2.488 2373 D HA 0.276 4.916 4.640 0.000 0.000 0.238 2373 D C 1.466 177.772 176.300 0.010 0.000 1.138 2373 D CA 1.960 55.969 54.000 0.016 0.000 0.873 2373 D CB -0.212 40.599 40.800 0.018 0.000 1.183 2373 D HN 0.699 nan 8.370 nan 0.000 0.458 2374 G N 2.030 110.834 108.800 0.006 0.000 2.132 2374 G HA2 -0.252 3.708 3.960 0.000 0.000 0.228 2374 G HA3 -0.252 3.708 3.960 0.000 0.000 0.228 2374 G C 0.774 175.675 174.900 0.001 0.000 1.000 2374 G CA 0.799 45.901 45.100 0.004 0.000 0.693 2374 G HN 0.790 nan 8.290 nan 0.000 0.515 2375 T N -3.558 110.995 114.554 -0.002 0.000 3.028 2375 T HA 0.327 4.677 4.350 0.000 0.000 0.262 2375 T C 2.010 176.702 174.700 -0.013 0.000 0.916 2375 T CA 0.734 62.832 62.100 -0.003 0.000 0.873 2375 T CB -0.126 68.743 68.868 0.003 0.000 1.232 2375 T HN 0.346 nan 8.240 nan 0.000 0.529 2376 L N 0.924 122.134 121.223 -0.022 0.000 2.043 2376 L HA -0.159 4.181 4.340 0.000 0.000 0.212 2376 L C 2.659 179.504 176.870 -0.042 0.000 1.075 2376 L CA 2.111 56.925 54.840 -0.044 0.000 0.752 2376 L CB -0.339 41.684 42.059 -0.060 0.000 0.891 2376 L HN 0.334 nan 8.230 nan 0.000 0.432 2377 Q N -0.193 119.590 119.800 -0.029 0.000 2.291 2377 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 2377 Q C 2.043 178.032 176.000 -0.019 0.000 0.976 2377 Q CA 1.324 57.112 55.803 -0.025 0.000 0.875 2377 Q CB -0.150 28.579 28.738 -0.016 0.000 0.927 2377 Q HN 0.540 nan 8.270 nan 0.000 0.450 2378 L N -0.957 120.258 121.223 -0.014 0.000 2.023 2378 L HA -0.139 4.201 4.340 0.000 0.000 0.205 2378 L C 2.055 178.921 176.870 -0.007 0.000 1.073 2378 L CA 0.669 55.505 54.840 -0.006 0.000 0.745 2378 L CB -0.602 41.456 42.059 -0.001 0.000 0.900 2378 L HN 0.296 nan 8.230 nan 0.000 0.435 2379 L N 0.362 121.576 121.223 -0.014 0.000 1.989 2379 L HA -0.248 4.092 4.340 0.000 0.000 0.211 2379 L C 2.500 179.354 176.870 -0.027 0.000 1.071 2379 L CA 1.909 56.738 54.840 -0.017 0.000 0.749 2379 L CB -0.610 41.430 42.059 -0.032 0.000 0.890 2379 L HN 0.095 nan 8.230 nan 0.000 0.431 2380 K N -0.640 119.734 120.400 -0.043 0.000 2.020 2380 K HA -0.202 4.118 4.320 0.000 0.000 0.212 2380 K C 1.964 178.549 176.600 -0.025 0.000 1.050 2380 K CA 1.788 58.045 56.287 -0.050 0.000 0.929 2380 K CB -0.272 32.195 32.500 -0.054 0.000 0.714 2380 K HN 0.333 nan 8.250 nan 0.000 0.443 2381 E N 0.296 120.488 120.200 -0.013 0.000 2.153 2381 E HA -0.148 4.202 4.350 0.000 0.000 0.194 2381 E C 1.949 178.556 176.600 0.013 0.000 0.988 2381 E CA 1.161 57.560 56.400 -0.001 0.000 0.811 2381 E CB -0.218 29.482 29.700 -0.000 0.000 0.746 2381 E HN 0.353 nan 8.360 nan 0.000 0.466 2382 A N 0.535 123.364 122.820 0.015 0.000 1.969 2382 A HA -0.036 4.284 4.320 0.000 0.000 0.218 2382 A C 1.527 179.146 177.584 0.058 0.000 1.169 2382 A CA 0.653 52.708 52.037 0.030 0.000 0.635 2382 A CB -0.094 18.922 19.000 0.028 0.000 0.810 2382 A HN 0.162 nan 8.150 nan 0.000 0.445 2383 L N 0.525 121.781 121.223 0.055 0.000 2.709 2383 L HA 0.235 4.575 4.340 0.000 0.000 0.236 2383 L C -1.670 175.246 176.870 0.075 0.000 1.266 2383 L CA -1.352 53.556 54.840 0.113 0.000 0.987 2383 L CB 1.195 43.267 42.059 0.021 0.000 1.306 2383 L HN 0.151 nan 8.230 nan 0.000 0.467 2384 P HA -0.211 nan 4.420 nan 0.000 0.219 2384 P C 1.085 178.426 177.300 0.068 0.000 1.146 2384 P CA 1.584 64.722 63.100 0.064 0.000 0.808 2384 P CB -0.024 31.712 31.700 0.060 0.000 0.779 2385 H N -2.422 116.625 119.070 -0.038 0.000 2.547 2385 H HA 0.262 4.818 4.556 0.000 0.000 0.272 2385 H C 1.085 176.375 175.328 -0.063 0.000 0.989 2385 H CA -0.314 55.707 56.048 -0.045 0.000 1.214 2385 H CB -0.552 29.184 29.762 -0.042 0.000 1.389 2385 H HN 0.076 nan 8.280 nan 0.000 0.577 2386 L N 0.947 121.853 121.223 -0.528 0.000 2.365 2386 L HA 0.349 4.689 4.340 0.000 0.000 0.267 2386 L C -0.108 176.620 176.870 -0.237 0.000 1.033 2386 L CA -0.975 53.594 54.840 -0.451 0.000 0.802 2386 L CB 1.864 43.625 42.059 -0.496 0.000 1.267 2386 L HN 0.302 nan 8.230 nan 0.000 0.457 2387 Q N 1.984 121.661 119.800 -0.205 0.000 2.357 2387 Q HA 0.527 4.867 4.340 0.000 0.000 0.266 2387 Q C -1.207 174.698 176.000 -0.159 0.000 1.021 2387 Q CA -0.315 55.402 55.803 -0.143 0.000 0.784 2387 Q CB 2.183 30.861 28.738 -0.100 0.000 1.243 2387 Q HN 0.433 nan 8.270 nan 0.000 0.465 2388 I N 2.652 123.124 120.570 -0.164 0.000 2.377 2388 I HA 0.232 4.402 4.170 0.000 0.000 0.293 2388 I C -0.223 175.731 176.117 -0.271 0.000 0.987 2388 I CA -0.853 60.323 61.300 -0.207 0.000 1.185 2388 I CB 1.331 39.214 38.000 -0.195 0.000 1.341 2388 I HN 0.606 nan 8.210 nan 0.000 0.455 2389 N N 3.261 121.731 118.700 -0.383 0.000 2.696 2389 N HA -0.188 4.552 4.740 0.000 0.000 0.256 2389 N C -0.060 175.250 175.510 -0.332 0.000 1.031 2389 N CA 0.511 53.158 53.050 -0.671 0.000 0.730 2389 N CB -1.285 36.555 38.487 -1.078 0.000 0.894 2389 N HN 0.680 nan 8.380 nan 0.000 0.544 2390 C N -1.144 118.062 119.300 -0.157 0.000 3.336 2390 C HA 0.278 4.739 4.460 0.000 0.000 0.291 2390 C C 0.642 175.587 174.990 -0.076 0.000 1.363 2390 C CA -0.088 58.869 59.018 -0.103 0.000 1.737 2390 C CB -0.077 27.627 27.740 -0.059 0.000 2.274 2390 C HN 0.488 nan 8.230 nan 0.000 0.663 2391 S N 0.681 116.356 115.700 -0.041 0.000 2.406 2391 S HA 0.243 4.713 4.470 0.000 0.000 0.224 2391 S C 0.632 175.145 174.600 -0.146 0.000 1.426 2391 S CA -0.342 57.838 58.200 -0.033 0.000 1.179 2391 S CB -0.190 63.037 63.200 0.044 0.000 1.042 2391 S HN 0.523 nan 8.310 nan 0.000 0.479 2392 H N 1.655 120.521 119.070 -0.341 0.000 2.387 2392 H HA -0.001 4.555 4.556 0.000 0.000 0.299 2392 H C 0.049 174.842 175.328 -0.892 0.000 1.099 2392 H CA 1.196 56.705 56.048 -0.898 0.000 1.315 2392 H CB 0.082 29.017 29.762 -1.378 0.000 1.380 2392 H HN 0.466 nan 8.280 nan 0.000 0.513 2393 F N -0.354 119.630 119.950 0.057 0.000 2.497 2393 F HA 0.302 4.829 4.527 0.000 0.000 0.331 2393 F C 0.922 176.734 175.800 0.020 0.000 1.060 2393 F CA -0.992 57.015 58.000 0.012 0.000 0.989 2393 F CB 1.267 40.266 39.000 -0.003 0.000 1.245 2393 F HN -0.278 nan 8.300 nan 0.000 0.486 2394 T N -0.896 113.789 114.554 0.218 0.000 2.909 2394 T HA 0.357 4.707 4.350 0.000 0.000 0.286 2394 T C 0.603 175.355 174.700 0.087 0.000 1.002 2394 T CA -0.130 62.046 62.100 0.127 0.000 1.074 2394 T CB 0.889 69.826 68.868 0.115 0.000 0.984 2394 T HN 0.821 nan 8.240 nan 0.000 0.495 2395 T N 1.689 116.263 114.554 0.034 0.000 3.040 2395 T HA 0.355 4.705 4.350 0.000 0.000 0.266 2395 T C 0.811 175.491 174.700 -0.034 0.000 1.005 2395 T CA -0.298 61.796 62.100 -0.011 0.000 0.906 2395 T CB -0.332 68.515 68.868 -0.036 0.000 1.082 2395 T HN 0.606 nan 8.240 nan 0.000 0.531 2396 I N 2.608 123.160 120.570 -0.030 0.000 2.664 2396 I HA 0.289 4.459 4.170 0.000 0.000 0.284 2396 I C 1.249 177.399 176.117 0.054 0.000 1.154 2396 I CA 0.330 61.614 61.300 -0.026 0.000 1.402 2396 I CB -0.069 37.927 38.000 -0.006 0.000 1.395 2396 I HN 0.463 nan 8.210 nan 0.000 0.545 2397 A N 5.063 127.947 122.820 0.107 0.000 2.832 2397 A HA -0.201 4.119 4.320 0.000 0.000 0.280 2397 A C 0.490 178.223 177.584 0.248 0.000 1.464 2397 A CA 0.710 52.890 52.037 0.238 0.000 0.804 2397 A CB -1.384 17.718 19.000 0.171 0.000 1.020 2397 A HN 0.719 nan 8.150 nan 0.000 0.563 2398 R N -0.553 120.012 120.500 0.110 0.000 2.229 2398 R HA 0.320 4.660 4.340 0.000 0.000 0.332 2398 R C -1.352 174.738 176.300 -0.350 0.000 0.989 2398 R CA -1.431 54.626 56.100 -0.072 0.000 0.842 2398 R CB 0.984 31.234 30.300 -0.083 0.000 1.119 2398 R HN 0.371 nan 8.270 nan 0.000 0.456 2399 P HA -0.112 nan 4.420 nan 0.000 0.216 2399 P C 0.010 176.751 177.300 -0.931 0.000 1.153 2399 P CA 1.360 63.448 63.100 -1.688 0.000 0.858 2399 P CB 0.412 31.212 31.700 -1.500 0.000 0.789 2400 T N 0.680 114.915 114.554 -0.532 0.000 3.141 2400 T HA 0.307 4.657 4.350 0.000 0.000 0.377 2400 T C 1.187 175.746 174.700 -0.236 0.000 1.258 2400 T CA -0.401 61.495 62.100 -0.339 0.000 1.263 2400 T CB 0.152 68.848 68.868 -0.287 0.000 1.066 2400 T HN 0.063 nan 8.240 nan 0.000 0.546 2401 I N 0.345 120.803 120.570 -0.186 0.000 2.493 2401 I HA 0.236 4.406 4.170 0.000 0.000 0.254 2401 I C 1.212 177.262 176.117 -0.112 0.000 1.160 2401 I CA 0.122 61.348 61.300 -0.123 0.000 1.445 2401 I CB -0.896 37.061 38.000 -0.072 0.000 1.086 2401 I HN 0.633 nan 8.210 nan 0.000 0.433 2402 G N 4.085 112.816 108.800 -0.114 0.000 3.016 2402 G HA2 -0.286 3.674 3.960 0.000 0.000 0.299 2402 G HA3 -0.286 3.674 3.960 0.000 0.000 0.299 2402 G C -0.159 174.700 174.900 -0.067 0.000 0.290 2402 G CA 0.296 45.339 45.100 -0.096 0.000 1.161 2402 G HN 0.776 nan 8.290 nan 0.000 0.551 2403 N N 3.173 121.843 118.700 -0.049 0.000 3.324 2403 N HA 0.234 4.974 4.740 0.000 0.000 0.302 2403 N C 0.121 175.610 175.510 -0.034 0.000 1.360 2403 N CA -0.223 52.810 53.050 -0.028 0.000 1.190 2403 N CB 0.669 39.146 38.487 -0.017 0.000 1.462 2403 N HN 0.751 nan 8.380 nan 0.000 0.532 2404 K N 1.847 122.219 120.400 -0.047 0.000 6.692 2404 K HA -0.176 4.144 4.320 0.000 0.000 0.775 2404 K C -0.411 176.158 176.600 -0.052 0.000 2.128 2404 K CA 0.321 56.578 56.287 -0.049 0.000 1.684 2404 K CB -0.354 32.125 32.500 -0.034 0.000 1.997 2404 K HN 0.725 nan 8.250 nan 0.000 0.306 2405 K N -0.773 119.589 120.400 -0.063 0.000 3.167 2405 K HA -0.248 4.072 4.320 0.000 0.000 0.272 2405 K C -0.184 176.377 176.600 -0.065 0.000 1.137 2405 K CA 0.693 56.943 56.287 -0.062 0.000 0.800 2405 K CB -1.133 31.338 32.500 -0.049 0.000 1.253 2405 K HN 0.602 nan 8.250 nan 0.000 0.497 2406 N N 2.017 120.671 118.700 -0.078 0.000 2.415 2406 N HA 0.054 4.794 4.740 0.000 0.000 0.246 2406 N C 0.338 175.790 175.510 -0.097 0.000 1.078 2406 N CA 0.162 53.164 53.050 -0.081 0.000 0.942 2406 N CB 0.753 39.186 38.487 -0.090 0.000 1.140 2406 N HN 0.291 nan 8.380 nan 0.000 0.501 2407 Q N 1.445 121.194 119.800 -0.084 0.000 2.322 2407 Q HA 0.072 4.412 4.340 0.000 0.000 0.203 2407 Q C -0.523 175.421 176.000 -0.094 0.000 0.923 2407 Q CA 0.308 56.058 55.803 -0.089 0.000 0.949 2407 Q CB 0.425 29.121 28.738 -0.070 0.000 1.039 2407 Q HN 0.611 nan 8.270 nan 0.000 0.496 2408 E N 1.373 121.513 120.200 -0.100 0.000 2.242 2408 E HA 0.371 4.721 4.350 0.000 0.000 0.275 2408 E C -0.315 176.196 176.600 -0.149 0.000 1.002 2408 E CA -0.583 55.759 56.400 -0.097 0.000 0.841 2408 E CB 1.509 31.164 29.700 -0.074 0.000 1.109 2408 E HN 0.181 nan 8.360 nan 0.000 0.394 2409 I N -1.256 119.238 120.570 -0.127 0.000 2.355 2409 I HA 0.289 4.459 4.170 0.000 0.000 0.288 2409 I C -0.429 175.672 176.117 -0.027 0.000 0.999 2409 I CA -0.883 60.284 61.300 -0.221 0.000 1.163 2409 I CB 0.552 38.462 38.000 -0.150 0.000 1.316 2409 I HN 0.705 nan 8.210 nan 0.000 0.454 2410 W N 6.104 127.367 121.300 -0.062 0.000 6.351 2410 W HA -0.222 4.438 4.660 0.000 0.000 0.403 2410 W C 1.278 177.740 176.519 -0.095 0.000 1.540 2410 W CA 1.256 58.561 57.345 -0.067 0.000 1.055 2410 W CB -1.783 27.648 29.460 -0.047 0.000 2.721 2410 W HN 1.277 nan 8.180 nan 0.000 1.542 2411 G N -0.711 108.115 108.800 0.044 0.000 2.184 2411 G HA2 -0.329 3.631 3.960 0.000 0.000 0.264 2411 G HA3 -0.329 3.631 3.960 0.000 0.000 0.264 2411 G C 0.075 174.965 174.900 -0.017 0.000 0.975 2411 G CA 0.274 45.379 45.100 0.009 0.000 0.642 2411 G HN 0.405 nan 8.290 nan 0.000 0.536 2412 I N 0.717 121.273 120.570 -0.023 0.000 2.312 2412 I HA 0.373 4.543 4.170 0.000 0.000 0.290 2412 I C 0.301 176.397 176.117 -0.034 0.000 1.008 2412 I CA -0.996 60.278 61.300 -0.043 0.000 1.226 2412 I CB 1.570 39.526 38.000 -0.075 0.000 1.371 2412 I HN -0.013 nan 8.210 nan 0.000 0.468 2413 K N 6.288 126.668 120.400 -0.034 0.000 2.258 2413 K HA 0.334 4.654 4.320 0.000 0.000 0.284 2413 K C -1.081 175.502 176.600 -0.029 0.000 1.051 2413 K CA -0.180 56.086 56.287 -0.036 0.000 0.923 2413 K CB 0.653 33.132 32.500 -0.035 0.000 1.046 2413 K HN 0.594 nan 8.250 nan 0.000 0.474 2414 C N 5.235 124.518 119.300 -0.028 0.000 2.452 2414 C HA 0.371 4.831 4.460 0.000 0.000 0.379 2414 C C 1.678 176.642 174.990 -0.042 0.000 1.275 2414 C CA -0.713 58.292 59.018 -0.021 0.000 2.056 2414 C CB 0.492 28.230 27.740 -0.004 0.000 2.506 2414 C HN 0.897 nan 8.230 nan 0.000 0.560 2415 R N 0.958 121.424 120.500 -0.057 0.000 2.100 2415 R HA 0.131 4.471 4.340 0.000 0.000 0.220 2415 R C -0.028 176.201 176.300 -0.118 0.000 1.091 2415 R CA 0.791 56.840 56.100 -0.085 0.000 0.986 2415 R CB 0.004 30.244 30.300 -0.099 0.000 0.888 2415 R HN 0.614 nan 8.270 nan 0.000 0.444 2416 L N 1.664 122.802 121.223 -0.143 0.000 2.257 2416 L HA 0.245 4.585 4.340 0.000 0.000 0.290 2416 L C 0.100 176.918 176.870 -0.087 0.000 1.044 2416 L CA -0.163 54.568 54.840 -0.182 0.000 0.810 2416 L CB 1.581 43.434 42.059 -0.343 0.000 1.193 2416 L HN 0.001 nan 8.230 nan 0.000 0.425 2417 T N 3.510 118.020 114.554 -0.074 0.000 2.821 2417 T HA 0.492 4.842 4.350 0.000 0.000 0.306 2417 T C -0.943 173.740 174.700 -0.029 0.000 1.313 2417 T CA -0.589 61.490 62.100 -0.035 0.000 1.012 2417 T CB 1.310 70.155 68.868 -0.038 0.000 1.298 2417 T HN 0.375 nan 8.240 nan 0.000 0.502 2418 L N 4.294 125.511 121.223 -0.010 0.000 2.407 2418 L HA 0.412 4.752 4.340 0.000 0.000 0.261 2418 L C 0.301 177.164 176.870 -0.012 0.000 1.108 2418 L CA -0.557 54.280 54.840 -0.005 0.000 0.995 2418 L CB 0.043 42.111 42.059 0.015 0.000 1.349 2418 L HN 0.776 nan 8.230 nan 0.000 0.423 2419 Q N 0.000 119.787 119.800 -0.021 0.000 2.315 2419 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 2419 Q CA 0.000 55.789 55.803 -0.022 0.000 1.022 2419 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 2419 Q HN 0.000 nan 8.270 nan 0.000 0.481