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 2ast_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 0.000 176.086 176.094 -0.014 0.000 1.182 2095 V CA 0.000 62.275 62.300 -0.041 0.000 1.235 2095 V CB 0.000 31.815 31.823 -0.014 0.000 1.184 2096 S N 3.297 118.933 115.700 -0.107 0.000 2.422 2096 S HA 0.412 4.882 4.470 0.000 0.000 0.308 2096 S C -0.143 174.399 174.600 -0.097 0.000 1.097 2096 S CA -0.426 57.764 58.200 -0.017 0.000 1.099 2096 S CB 0.795 63.992 63.200 -0.006 0.000 0.976 2096 S HN 0.800 nan 8.310 nan 0.000 0.471 2097 W N 1.160 122.497 121.300 0.062 0.000 3.278 2097 W HA 0.200 4.860 4.660 0.000 0.000 0.308 2097 W C 0.609 177.201 176.519 0.122 0.000 1.253 2097 W CA -0.345 57.057 57.345 0.096 0.000 1.759 2097 W CB -0.133 29.412 29.460 0.142 0.000 1.093 2097 W HN 0.583 nan 8.180 nan 0.000 0.648 2098 D N -0.602 119.949 120.400 0.252 0.000 2.277 2098 D HA -0.146 4.494 4.640 0.000 0.000 0.208 2098 D C 2.278 178.657 176.300 0.132 0.000 0.962 2098 D CA 1.633 55.750 54.000 0.195 0.000 0.865 2098 D CB -0.263 40.614 40.800 0.129 0.000 0.939 2098 D HN 0.033 nan 8.370 nan 0.000 0.510 2099 S N -0.067 115.679 115.700 0.078 0.000 2.461 2099 S HA -0.029 4.441 4.470 0.000 0.000 0.228 2099 S C 0.918 175.537 174.600 0.031 0.000 1.005 2099 S CA -0.342 57.878 58.200 0.033 0.000 0.942 2099 S CB -0.320 62.871 63.200 -0.014 0.000 0.776 2099 S HN 0.144 nan 8.310 nan 0.000 0.514 2100 L N 4.052 125.307 121.223 0.054 0.000 2.559 2100 L HA 0.291 4.631 4.340 0.000 0.000 0.274 2100 L C -2.489 174.408 176.870 0.045 0.000 1.205 2100 L CA -1.509 53.363 54.840 0.053 0.000 0.907 2100 L CB -0.244 41.901 42.059 0.144 0.000 1.153 2100 L HN 0.036 nan 8.230 nan 0.000 0.490 2101 P HA 0.088 nan 4.420 nan 0.000 0.270 2101 P C 0.026 177.310 177.300 -0.026 0.000 1.223 2101 P CA -0.278 62.822 63.100 -0.000 0.000 0.785 2101 P CB 0.551 32.246 31.700 -0.009 0.000 0.923 2102 D N 1.117 121.503 120.400 -0.022 0.000 2.106 2102 D HA -0.191 4.449 4.640 0.000 0.000 0.191 2102 D C 1.502 177.746 176.300 -0.093 0.000 0.997 2102 D CA 1.694 55.663 54.000 -0.051 0.000 0.834 2102 D CB -0.346 40.447 40.800 -0.011 0.000 0.956 2102 D HN 0.499 nan 8.370 nan 0.000 0.448 2103 E N 0.037 120.202 120.200 -0.059 0.000 2.160 2103 E HA -0.122 4.228 4.350 0.000 0.000 0.195 2103 E C 1.954 178.501 176.600 -0.089 0.000 0.991 2103 E CA 0.443 56.807 56.400 -0.060 0.000 0.810 2103 E CB -0.112 29.568 29.700 -0.033 0.000 0.742 2103 E HN 0.228 nan 8.360 nan 0.000 0.466 2104 L N -0.186 120.981 121.223 -0.093 0.000 2.209 2104 L HA 0.044 4.384 4.340 0.000 0.000 0.207 2104 L C 2.125 178.878 176.870 -0.195 0.000 1.094 2104 L CA 1.056 55.838 54.840 -0.096 0.000 0.790 2104 L CB -0.888 41.147 42.059 -0.040 0.000 0.932 2104 L HN 0.231 nan 8.230 nan 0.000 0.447 2105 L N -0.750 120.287 121.223 -0.310 0.000 2.056 2105 L HA -0.203 4.137 4.340 0.000 0.000 0.207 2105 L C 2.556 178.901 176.870 -0.875 0.000 1.078 2105 L CA 0.925 55.345 54.840 -0.701 0.000 0.749 2105 L CB -0.288 41.281 42.059 -0.817 0.000 0.901 2105 L HN 0.207 nan 8.230 nan 0.000 0.433 2106 L N -0.607 120.330 121.223 -0.476 0.000 2.042 2106 L HA -0.185 4.155 4.340 0.000 0.000 0.210 2106 L C 2.621 179.401 176.870 -0.150 0.000 1.076 2106 L CA 1.455 56.156 54.840 -0.231 0.000 0.749 2106 L CB -1.199 40.804 42.059 -0.094 0.000 0.893 2106 L HN 0.341 nan 8.230 nan 0.000 0.432 2107 G N 0.139 108.847 108.800 -0.152 0.000 2.422 2107 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 2107 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 2107 G C 1.572 176.419 174.900 -0.089 0.000 1.146 2107 G CA 0.679 45.723 45.100 -0.093 0.000 0.769 2107 G HN 0.308 nan 8.290 nan 0.000 0.547 2108 I N -0.480 119.995 120.570 -0.158 0.000 2.277 2108 I HA 0.020 4.190 4.170 0.000 0.000 0.243 2108 I C 2.446 178.572 176.117 0.015 0.000 1.094 2108 I CA 0.532 61.768 61.300 -0.106 0.000 1.393 2108 I CB -0.278 37.616 38.000 -0.177 0.000 1.078 2108 I HN 0.127 nan 8.210 nan 0.000 0.417 2109 F N 1.054 120.893 119.950 -0.184 0.000 2.161 2109 F HA -0.282 4.245 4.527 0.000 0.000 0.300 2109 F C 2.909 178.618 175.800 -0.151 0.000 1.089 2109 F CA 1.055 58.943 58.000 -0.188 0.000 1.282 2109 F CB -0.449 38.425 39.000 -0.209 0.000 1.010 2109 F HN 0.211 nan 8.300 nan 0.000 0.485 2110 S N -0.786 114.950 115.700 0.059 0.000 2.500 2110 S HA -0.176 4.294 4.470 0.000 0.000 0.239 2110 S C 1.530 176.108 174.600 -0.037 0.000 0.989 2110 S CA 1.123 59.311 58.200 -0.020 0.000 0.951 2110 S CB -1.142 62.041 63.200 -0.029 0.000 0.759 2110 S HN 0.415 nan 8.310 nan 0.000 0.523 2111 C N 1.075 120.364 119.300 -0.017 0.000 2.618 2111 C HA 0.459 4.919 4.460 0.000 0.000 0.264 2111 C C 0.919 175.889 174.990 -0.034 0.000 1.334 2111 C CA -0.845 58.158 59.018 -0.025 0.000 1.731 2111 C CB -1.466 26.266 27.740 -0.014 0.000 1.852 2111 C HN 0.540 nan 8.230 nan 0.000 0.566 2112 L N 1.914 123.113 121.223 -0.040 0.000 2.349 2112 L HA 0.275 4.615 4.340 0.000 0.000 0.275 2112 L C 0.907 177.718 176.870 -0.097 0.000 1.115 2112 L CA -0.432 54.370 54.840 -0.063 0.000 0.820 2112 L CB 0.212 42.224 42.059 -0.078 0.000 1.135 2112 L HN 0.416 nan 8.230 nan 0.000 0.445 2113 C N 1.948 121.199 119.300 -0.082 0.000 2.705 2113 C HA 0.093 4.553 4.460 0.000 0.000 0.382 2113 C C 1.884 176.804 174.990 -0.116 0.000 1.322 2113 C CA -0.849 58.114 59.018 -0.092 0.000 2.290 2113 C CB 0.297 28.000 27.740 -0.062 0.000 2.650 2113 C HN 0.899 nan 8.230 nan 0.000 0.695 2114 L N 2.703 123.849 121.223 -0.127 0.000 1.997 2114 L HA 0.001 4.341 4.340 0.000 0.000 0.216 2114 L C -0.238 176.587 176.870 -0.074 0.000 1.074 2114 L CA 2.637 57.391 54.840 -0.143 0.000 0.763 2114 L CB -1.897 40.095 42.059 -0.111 0.000 0.890 2114 L HN 0.687 nan 8.230 nan 0.000 0.434 2115 P HA -0.167 nan 4.420 nan 0.000 0.217 2115 P C 1.431 178.717 177.300 -0.024 0.000 1.150 2115 P CA 1.377 64.470 63.100 -0.012 0.000 0.832 2115 P CB 0.053 31.750 31.700 -0.005 0.000 0.787 2116 E N -0.322 119.853 120.200 -0.042 0.000 2.118 2116 E HA -0.164 4.186 4.350 0.000 0.000 0.195 2116 E C 1.935 178.484 176.600 -0.084 0.000 0.992 2116 E CA 0.678 57.049 56.400 -0.047 0.000 0.804 2116 E CB -1.036 28.636 29.700 -0.047 0.000 0.741 2116 E HN 0.044 nan 8.360 nan 0.000 0.458 2117 L N -0.067 121.082 121.223 -0.124 0.000 2.093 2117 L HA -0.084 4.256 4.340 0.000 0.000 0.208 2117 L C 1.824 178.614 176.870 -0.133 0.000 1.085 2117 L CA 1.528 56.248 54.840 -0.199 0.000 0.755 2117 L CB -0.229 41.688 42.059 -0.235 0.000 0.904 2117 L HN 0.202 nan 8.230 nan 0.000 0.435 2118 L N -0.669 120.534 121.223 -0.033 0.000 2.109 2118 L HA -0.166 4.174 4.340 0.000 0.000 0.207 2118 L C 2.620 179.505 176.870 0.025 0.000 1.086 2118 L CA 1.167 56.026 54.840 0.031 0.000 0.760 2118 L CB -0.728 41.376 42.059 0.074 0.000 0.910 2118 L HN 0.299 nan 8.230 nan 0.000 0.437 2119 K N 0.851 121.257 120.400 0.010 0.000 2.020 2119 K HA -0.216 4.104 4.320 0.000 0.000 0.212 2119 K C 1.945 178.574 176.600 0.049 0.000 1.050 2119 K CA 2.370 58.672 56.287 0.026 0.000 0.929 2119 K CB -0.225 32.285 32.500 0.016 0.000 0.714 2119 K HN 0.322 nan 8.250 nan 0.000 0.443 2120 V N -0.072 119.854 119.914 0.020 0.000 3.305 2120 V HA -0.091 4.029 4.120 0.000 0.000 0.269 2120 V C 2.025 178.232 176.094 0.187 0.000 1.157 2120 V CA 1.812 64.187 62.300 0.125 0.000 1.157 2120 V CB -0.547 31.294 31.823 0.029 0.000 0.772 2120 V HN 0.418 nan 8.190 nan 0.000 0.498 2121 S N 1.027 116.777 115.700 0.084 0.000 2.453 2121 S HA 0.115 4.585 4.470 0.000 0.000 0.231 2121 S C 1.573 176.354 174.600 0.301 0.000 1.005 2121 S CA 0.792 59.103 58.200 0.186 0.000 0.949 2121 S CB -0.649 62.612 63.200 0.102 0.000 0.774 2121 S HN 0.918 nan 8.310 nan 0.000 0.510 2122 G N 0.415 109.332 108.800 0.196 0.000 3.943 2122 G HA2 0.518 4.478 3.960 0.000 0.000 0.275 2122 G HA3 0.518 4.478 3.960 0.000 0.000 0.275 2122 G C 0.331 175.276 174.900 0.075 0.000 1.234 2122 G CA -0.228 44.951 45.100 0.132 0.000 1.522 2122 G HN 0.350 nan 8.290 nan 0.000 0.636 2123 V N -0.491 119.476 119.914 0.088 0.000 3.058 2123 V HA 0.231 4.351 4.120 0.000 0.000 0.233 2123 V C 1.001 177.027 176.094 -0.112 0.000 1.255 2123 V CA 1.118 63.369 62.300 -0.082 0.000 1.267 2123 V CB 0.264 31.921 31.823 -0.276 0.000 1.049 2123 V HN 0.757 nan 8.190 nan 0.000 0.486 2124 C N -1.996 117.312 119.300 0.013 0.000 3.312 2124 C HA 0.422 4.882 4.460 0.000 0.000 0.332 2124 C C 1.080 176.170 174.990 0.167 0.000 1.340 2124 C CA -1.078 57.959 59.018 0.031 0.000 1.265 2124 C CB 1.257 28.968 27.740 -0.049 0.000 1.563 2124 C HN 0.311 nan 8.230 nan 0.000 0.471 2125 K N 0.066 120.536 120.400 0.116 0.000 2.211 2125 K HA -0.162 4.158 4.320 0.000 0.000 0.204 2125 K C 2.297 179.055 176.600 0.263 0.000 1.047 2125 K CA 1.788 58.163 56.287 0.148 0.000 0.935 2125 K CB -0.101 32.444 32.500 0.075 0.000 0.728 2125 K HN 0.662 nan 8.250 nan 0.000 0.452 2126 R N -0.161 120.506 120.500 0.278 0.000 2.062 2126 R HA -0.113 4.227 4.340 0.000 0.000 0.226 2126 R C 1.759 178.338 176.300 0.465 0.000 1.125 2126 R CA 1.163 57.461 56.100 0.330 0.000 0.966 2126 R CB -0.099 30.392 30.300 0.319 0.000 0.861 2126 R HN 0.204 nan 8.270 nan 0.000 0.433 2127 W N 0.135 121.579 121.300 0.240 0.000 2.363 2127 W HA -0.176 4.484 4.660 -0.000 0.000 0.296 2127 W C 2.073 178.751 176.519 0.265 0.000 1.212 2127 W CA 0.928 58.471 57.345 0.330 0.000 1.260 2127 W CB -0.944 28.695 29.460 0.299 0.000 1.131 2127 W HN 0.219 nan 8.180 nan 0.000 0.530 2128 Y N 0.750 121.244 120.300 0.324 0.000 2.181 2128 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 2128 Y C 2.655 178.648 175.900 0.155 0.000 1.146 2128 Y CA 2.067 60.278 58.100 0.184 0.000 1.164 2128 Y CB -0.441 38.098 38.460 0.132 0.000 0.982 2128 Y HN -0.216 nan 8.280 nan 0.000 0.515 2129 R N -0.061 120.609 120.500 0.283 0.000 2.081 2129 R HA -0.150 4.190 4.340 0.000 0.000 0.235 2129 R C 2.109 178.470 176.300 0.101 0.000 1.131 2129 R CA 1.869 58.065 56.100 0.160 0.000 0.960 2129 R CB -0.418 30.000 30.300 0.197 0.000 0.856 2129 R HN 0.415 nan 8.270 nan 0.000 0.436 2130 L N -0.628 120.704 121.223 0.181 0.000 2.341 2130 L HA 0.046 4.386 4.340 0.000 0.000 0.214 2130 L C 2.376 179.394 176.870 0.248 0.000 1.115 2130 L CA 0.436 55.398 54.840 0.204 0.000 0.820 2130 L CB -0.235 41.949 42.059 0.208 0.000 0.944 2130 L HN 0.167 nan 8.230 nan 0.000 0.452 2131 A N -0.758 122.151 122.820 0.148 0.000 2.067 2131 A HA -0.081 4.239 4.320 0.000 0.000 0.219 2131 A C 2.128 179.850 177.584 0.230 0.000 1.158 2131 A CA 1.419 53.473 52.037 0.030 0.000 0.661 2131 A CB -0.204 18.704 19.000 -0.153 0.000 0.801 2131 A HN 0.345 nan 8.150 nan 0.000 0.452 2132 S N -0.376 115.380 115.700 0.095 0.000 2.568 2132 S HA 0.077 4.547 4.470 0.000 0.000 0.232 2132 S C 1.089 175.726 174.600 0.063 0.000 0.975 2132 S CA 0.240 58.433 58.200 -0.012 0.000 0.949 2132 S CB 0.035 63.068 63.200 -0.279 0.000 0.829 2132 S HN 0.687 nan 8.310 nan 0.000 0.479 2133 D N 2.547 123.061 120.400 0.190 0.000 2.242 2133 D HA -0.236 4.404 4.640 0.000 0.000 0.193 2133 D C 1.354 177.732 176.300 0.131 0.000 1.005 2133 D CA 2.476 56.561 54.000 0.142 0.000 0.856 2133 D CB 0.135 41.021 40.800 0.144 0.000 1.001 2133 D HN 0.529 nan 8.370 nan 0.000 0.452 2134 E N -3.709 116.619 120.200 0.214 0.000 1.416 2134 E HA -0.149 4.201 4.350 0.000 0.000 0.227 2134 E C 1.432 178.135 176.600 0.171 0.000 1.060 2134 E CA 0.791 57.289 56.400 0.164 0.000 1.299 2134 E CB -1.177 28.577 29.700 0.091 0.000 4.485 2134 E HN 0.233 nan 8.360 nan 0.000 0.757 2135 S N 1.104 116.876 115.700 0.119 0.000 2.461 2135 S HA 0.099 4.569 4.470 0.000 0.000 0.228 2135 S C 1.864 176.493 174.600 0.047 0.000 1.005 2135 S CA 0.793 59.034 58.200 0.068 0.000 0.942 2135 S CB -0.040 63.186 63.200 0.043 0.000 0.776 2135 S HN 0.358 nan 8.310 nan 0.000 0.514 2136 L N -1.804 119.460 121.223 0.070 0.000 2.416 2136 L HA 0.311 4.651 4.340 0.000 0.000 0.216 2136 L C 1.109 177.824 176.870 -0.257 0.000 1.098 2136 L CA 0.261 55.047 54.840 -0.089 0.000 0.840 2136 L CB -0.167 41.832 42.059 -0.100 0.000 0.981 2136 L HN 0.350 nan 8.230 nan 0.000 0.462 2137 W N -0.013 121.277 121.300 -0.015 0.000 3.067 2137 W HA 0.189 4.849 4.660 -0.000 0.000 0.417 2137 W C 1.925 178.433 176.519 -0.017 0.000 1.029 2137 W CA -0.456 56.872 57.345 -0.028 0.000 1.992 2137 W CB 0.237 29.665 29.460 -0.053 0.000 1.122 2137 W HN 0.040 nan 8.180 nan 0.000 0.681 2138 Q N 0.113 119.986 119.800 0.121 0.000 2.079 2138 Q HA -0.070 4.270 4.340 0.000 0.000 0.200 2138 Q C 0.883 176.946 176.000 0.106 0.000 0.974 2138 Q CA 1.450 57.315 55.803 0.103 0.000 0.840 2138 Q CB -0.372 28.407 28.738 0.068 0.000 0.898 2138 Q HN 0.205 nan 8.270 nan 0.000 0.430 2139 T N -1.183 113.413 114.554 0.071 0.000 2.841 2139 T HA 0.593 4.943 4.350 0.000 0.000 0.285 2139 T C -0.954 173.790 174.700 0.073 0.000 0.991 2139 T CA -0.848 61.301 62.100 0.082 0.000 0.966 2139 T CB 1.626 70.521 68.868 0.045 0.000 0.962 2139 T HN 0.007 nan 8.240 nan 0.000 0.438 2140 L N 2.403 123.723 121.223 0.162 0.000 2.438 2140 L HA 0.737 5.077 4.340 0.000 0.000 0.270 2140 L C -1.731 175.273 176.870 0.223 0.000 0.972 2140 L CA -0.346 54.617 54.840 0.206 0.000 0.831 2140 L CB 2.167 44.420 42.059 0.324 0.000 1.273 2140 L HN 0.839 nan 8.230 nan 0.000 0.405 2141 D N 4.977 125.443 120.400 0.110 0.000 2.471 2141 D HA 0.357 4.997 4.640 0.000 0.000 0.245 2141 D C -0.520 175.798 176.300 0.031 0.000 1.116 2141 D CA -0.065 53.948 54.000 0.022 0.000 0.853 2141 D CB 1.120 41.907 40.800 -0.022 0.000 1.123 2141 D HN 0.648 nan 8.370 nan 0.000 0.540 2142 L N 3.089 124.307 121.223 -0.008 0.000 3.141 2142 L HA 0.197 4.537 4.340 0.000 0.000 0.267 2142 L C 0.463 177.299 176.870 -0.057 0.000 1.281 2142 L CA -0.349 54.503 54.840 0.021 0.000 1.037 2142 L CB 0.594 42.741 42.059 0.146 0.000 1.407 2142 L HN 0.248 nan 8.230 nan 0.000 0.566 2143 T N 1.036 115.531 114.554 -0.099 0.000 2.819 2143 T HA 0.093 4.443 4.350 0.000 0.000 0.282 2143 T C 1.327 175.993 174.700 -0.058 0.000 1.013 2143 T CA 1.453 63.486 62.100 -0.112 0.000 1.159 2143 T CB 0.526 69.328 68.868 -0.110 0.000 1.007 2143 T HN 0.743 nan 8.240 nan 0.000 0.514 2144 G N 2.500 111.259 108.800 -0.068 0.000 2.184 2144 G HA2 -0.288 3.672 3.960 0.000 0.000 0.264 2144 G HA3 -0.288 3.672 3.960 0.000 0.000 0.264 2144 G C 0.162 175.146 174.900 0.140 0.000 0.975 2144 G CA 0.499 45.607 45.100 0.013 0.000 0.642 2144 G HN 0.789 nan 8.290 nan 0.000 0.536 2145 K N 0.887 121.345 120.400 0.097 0.000 2.322 2145 K HA 0.401 4.721 4.320 0.000 0.000 0.283 2145 K C 0.214 176.963 176.600 0.248 0.000 1.042 2145 K CA -0.371 56.004 56.287 0.146 0.000 0.958 2145 K CB 0.194 32.756 32.500 0.103 0.000 0.984 2145 K HN 0.292 nan 8.250 nan 0.000 0.473 2146 N N 4.707 123.553 118.700 0.244 0.000 2.420 2146 N HA 0.378 5.118 4.740 0.000 0.000 0.249 2146 N C -1.245 174.352 175.510 0.145 0.000 1.033 2146 N CA -0.599 52.587 53.050 0.227 0.000 0.944 2146 N CB 0.178 38.692 38.487 0.045 0.000 1.113 2146 N HN 0.516 nan 8.380 nan 0.000 0.502 2147 L N 0.173 121.487 121.223 0.152 0.000 2.518 2147 L HA 0.482 4.822 4.340 0.000 0.000 0.257 2147 L C -0.896 176.057 176.870 0.137 0.000 0.980 2147 L CA -1.138 53.785 54.840 0.138 0.000 0.837 2147 L CB 1.628 43.769 42.059 0.136 0.000 1.410 2147 L HN 0.424 nan 8.230 nan 0.000 0.410 2148 H N 3.081 122.195 119.070 0.073 0.000 2.886 2148 H HA 0.188 4.744 4.556 0.000 0.000 0.329 2148 H C -1.886 173.485 175.328 0.072 0.000 1.044 2148 H CA -0.926 55.165 56.048 0.071 0.000 1.456 2148 H CB 1.912 31.712 29.762 0.062 0.000 1.464 2148 H HN 0.519 nan 8.280 nan 0.000 0.573 2149 P HA -0.142 nan 4.420 nan 0.000 0.221 2149 P C 0.781 178.214 177.300 0.221 0.000 1.145 2149 P CA 0.887 64.043 63.100 0.094 0.000 0.795 2149 P CB 0.520 32.232 31.700 0.020 0.000 0.775 2150 D N -0.176 120.520 120.400 0.494 0.000 2.144 2150 D HA -0.102 4.538 4.640 0.000 0.000 0.199 2150 D C 2.122 178.583 176.300 0.268 0.000 0.984 2150 D CA 0.872 55.132 54.000 0.433 0.000 0.834 2150 D CB -0.769 40.200 40.800 0.282 0.000 0.955 2150 D HN 0.024 nan 8.370 nan 0.000 0.465 2151 V N 0.836 120.859 119.914 0.181 0.000 2.295 2151 V HA -0.245 3.875 4.120 0.000 0.000 0.246 2151 V C 2.755 178.818 176.094 -0.051 0.000 1.049 2151 V CA 2.195 64.534 62.300 0.066 0.000 1.024 2151 V CB -0.979 30.895 31.823 0.084 0.000 0.648 2151 V HN 0.352 nan 8.190 nan 0.000 0.447 2152 T N -0.106 114.415 114.554 -0.055 0.000 2.788 2152 T HA -0.107 4.243 4.350 0.000 0.000 0.268 2152 T C 1.934 176.344 174.700 -0.483 0.000 1.044 2152 T CA 1.984 63.961 62.100 -0.205 0.000 1.139 2152 T CB -0.584 68.260 68.868 -0.040 0.000 0.867 2152 T HN 0.504 nan 8.240 nan 0.000 0.454 2153 G N 0.985 109.471 108.800 -0.524 0.000 2.440 2153 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 2153 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 2153 G C 1.857 176.171 174.900 -0.977 0.000 1.154 2153 G CA 0.753 45.152 45.100 -1.169 0.000 0.767 2153 G HN 0.520 nan 8.290 nan 0.000 0.552 2154 R N -0.054 120.235 120.500 -0.351 0.000 2.073 2154 R HA 0.055 4.395 4.340 0.000 0.000 0.234 2154 R C 2.661 178.780 176.300 -0.301 0.000 1.134 2154 R CA 1.043 57.100 56.100 -0.072 0.000 0.952 2154 R CB -0.392 29.928 30.300 0.033 0.000 0.850 2154 R HN 0.411 nan 8.270 nan 0.000 0.433 2155 L N 0.677 121.658 121.223 -0.405 0.000 2.046 2155 L HA -0.200 4.140 4.340 0.000 0.000 0.208 2155 L C 2.493 179.032 176.870 -0.553 0.000 1.077 2155 L CA 1.122 55.650 54.840 -0.519 0.000 0.747 2155 L CB -0.431 41.389 42.059 -0.398 0.000 0.896 2155 L HN 0.245 nan 8.230 nan 0.000 0.432 2156 L N -0.248 120.541 121.223 -0.722 0.000 2.131 2156 L HA -0.172 4.168 4.340 0.000 0.000 0.210 2156 L C 2.831 179.398 176.870 -0.506 0.000 1.092 2156 L CA 1.421 55.749 54.840 -0.854 0.000 0.759 2156 L CB -0.560 40.540 42.059 -1.599 0.000 0.903 2156 L HN 0.403 nan 8.230 nan 0.000 0.435 2157 S N -0.933 114.586 115.700 -0.302 0.000 2.474 2157 S HA -0.203 4.267 4.470 0.000 0.000 0.235 2157 S C 1.656 176.229 174.600 -0.045 0.000 0.997 2157 S CA 0.648 58.883 58.200 0.059 0.000 0.949 2157 S CB -0.307 63.018 63.200 0.207 0.000 0.766 2157 S HN 0.513 nan 8.310 nan 0.000 0.517 2158 Q N 0.730 120.410 119.800 -0.201 0.000 2.482 2158 Q HA 0.273 4.613 4.340 0.000 0.000 0.209 2158 Q C 1.091 177.041 176.000 -0.082 0.000 0.961 2158 Q CA 0.284 55.949 55.803 -0.230 0.000 0.945 2158 Q CB -0.141 28.250 28.738 -0.578 0.000 1.012 2158 Q HN 0.820 nan 8.270 nan 0.000 0.515 2159 G N 0.305 109.079 108.800 -0.043 0.000 2.131 2159 G HA2 -0.222 3.738 3.960 0.000 0.000 0.201 2159 G HA3 -0.222 3.738 3.960 0.000 0.000 0.201 2159 G C 0.084 175.009 174.900 0.041 0.000 1.000 2159 G CA -0.256 44.857 45.100 0.022 0.000 0.680 2159 G HN 0.190 nan 8.290 nan 0.000 0.514 2160 V N 0.758 120.669 119.914 -0.005 0.000 2.644 2160 V HA 0.101 4.221 4.120 0.000 0.000 0.305 2160 V C 1.884 178.004 176.094 0.044 0.000 1.053 2160 V CA 1.297 63.612 62.300 0.026 0.000 1.186 2160 V CB 0.917 32.686 31.823 -0.089 0.000 0.895 2160 V HN 0.365 nan 8.190 nan 0.000 0.490 2161 I N 3.210 123.841 120.570 0.103 0.000 2.810 2161 I HA 0.242 4.412 4.170 0.000 0.000 0.262 2161 I C 1.166 177.417 176.117 0.223 0.000 1.131 2161 I CA 0.769 62.145 61.300 0.127 0.000 1.453 2161 I CB 0.178 38.261 38.000 0.139 0.000 1.161 2161 I HN 0.669 nan 8.210 nan 0.000 0.444 2162 A N 0.812 123.786 122.820 0.257 0.000 2.304 2162 A HA 0.542 4.862 4.320 0.000 0.000 0.314 2162 A C -1.351 176.420 177.584 0.311 0.000 1.187 2162 A CA -0.155 52.071 52.037 0.315 0.000 0.810 2162 A CB 0.495 19.640 19.000 0.243 0.000 1.183 2162 A HN 0.158 nan 8.150 nan 0.000 0.487 2163 F N 3.293 123.310 119.950 0.113 0.000 2.434 2163 F HA 0.484 5.011 4.527 0.000 0.000 0.355 2163 F C 0.246 176.081 175.800 0.057 0.000 1.115 2163 F CA -0.993 57.041 58.000 0.057 0.000 1.010 2163 F CB 1.153 40.157 39.000 0.007 0.000 1.234 2163 F HN 0.621 nan 8.300 nan 0.000 0.439 2164 R N 5.535 125.931 120.500 -0.175 0.000 2.198 2164 R HA 0.475 4.815 4.340 0.000 0.000 0.339 2164 R C -1.050 174.914 176.300 -0.560 0.000 1.020 2164 R CA 0.011 55.931 56.100 -0.299 0.000 0.864 2164 R CB 0.476 30.683 30.300 -0.154 0.000 1.105 2164 R HN 0.769 nan 8.270 nan 0.000 0.463 2165 C N 7.771 126.687 119.300 -0.639 0.000 3.202 2165 C HA 0.384 4.844 4.460 0.000 0.000 0.237 2165 C C -2.546 172.237 174.990 -0.345 0.000 2.183 2165 C CA -1.625 57.036 59.018 -0.594 0.000 1.352 2165 C CB 0.411 27.528 27.740 -1.038 0.000 2.502 2165 C HN 0.691 nan 8.230 nan 0.000 0.524 2166 P HA 0.269 nan 4.420 nan 0.000 0.274 2166 P C -0.217 176.950 177.300 -0.222 0.000 1.237 2166 P CA 0.657 63.626 63.100 -0.218 0.000 0.793 2166 P CB 0.365 31.945 31.700 -0.200 0.000 0.977 2167 R N -1.542 118.814 120.500 -0.241 0.000 3.641 2167 R HA -0.118 4.222 4.340 0.000 0.000 0.286 2167 R C 0.586 176.606 176.300 -0.466 0.000 1.153 2167 R CA 0.751 56.663 56.100 -0.314 0.000 0.775 2167 R CB -2.566 27.602 30.300 -0.221 0.000 1.215 2167 R HN 0.769 nan 8.270 nan 0.000 0.474 2168 S N -0.546 114.901 115.700 -0.423 0.000 2.713 2168 S HA 0.731 5.201 4.470 0.000 0.000 0.277 2168 S C -0.137 174.092 174.600 -0.619 0.000 1.168 2168 S CA -0.770 57.208 58.200 -0.370 0.000 0.994 2168 S CB 1.070 64.180 63.200 -0.150 0.000 1.054 2168 S HN 0.189 nan 8.310 nan 0.000 0.555 2169 F N 0.037 119.982 119.950 -0.009 0.000 2.496 2169 F HA 0.510 5.037 4.527 -0.000 0.000 0.341 2169 F C 0.164 175.964 175.800 -0.001 0.000 1.134 2169 F CA -0.627 57.370 58.000 -0.005 0.000 0.968 2169 F CB 1.571 40.569 39.000 -0.004 0.000 1.205 2169 F HN 0.381 nan 8.300 nan 0.000 0.436 2170 M N 2.110 121.779 119.600 0.116 0.000 3.075 2170 M HA 0.166 4.646 4.480 0.000 0.000 0.340 2170 M C -0.327 175.986 176.300 0.022 0.000 1.329 2170 M CA -0.060 55.274 55.300 0.056 0.000 0.778 2170 M CB 0.422 33.044 32.600 0.037 0.000 1.389 2170 M HN 0.368 nan 8.290 nan 0.000 0.499 2171 D N 1.981 122.412 120.400 0.053 0.000 2.870 2171 D HA 0.130 4.770 4.640 0.000 0.000 0.241 2171 D C -0.270 176.023 176.300 -0.012 0.000 1.234 2171 D CA 0.556 54.579 54.000 0.038 0.000 0.844 2171 D CB 0.358 41.207 40.800 0.083 0.000 1.051 2171 D HN 0.405 nan 8.370 nan 0.000 0.469 2172 Q N 0.204 119.952 119.800 -0.087 0.000 2.423 2172 Q HA 0.488 4.828 4.340 0.000 0.000 0.278 2172 Q C -2.511 173.396 176.000 -0.154 0.000 1.097 2172 Q CA -2.196 53.520 55.803 -0.146 0.000 0.809 2172 Q CB 2.259 30.818 28.738 -0.298 0.000 1.391 2172 Q HN 0.060 nan 8.270 nan 0.000 0.428 2173 P HA 0.128 nan 4.420 nan 0.000 0.278 2173 P C -0.737 176.575 177.300 0.020 0.000 1.238 2173 P CA -0.324 62.771 63.100 -0.008 0.000 0.794 2173 P CB 0.566 32.285 31.700 0.032 0.000 0.955 2174 L N 1.699 122.959 121.223 0.062 0.000 2.490 2174 L HA 0.188 4.528 4.340 0.000 0.000 0.274 2174 L C 1.241 178.174 176.870 0.106 0.000 1.201 2174 L CA 0.315 55.235 54.840 0.134 0.000 0.869 2174 L CB 0.239 42.376 42.059 0.131 0.000 1.123 2174 L HN 0.491 nan 8.230 nan 0.000 0.484 2175 A N 3.067 125.966 122.820 0.131 0.000 2.585 2175 A HA 0.314 4.634 4.320 0.000 0.000 0.266 2175 A C 0.286 177.816 177.584 -0.090 0.000 1.178 2175 A CA -0.227 51.825 52.037 0.025 0.000 0.966 2175 A CB 0.291 19.331 19.000 0.066 0.000 1.170 2175 A HN 0.746 nan 8.150 nan 0.000 0.558 2176 E N -0.668 119.449 120.200 -0.138 0.000 2.336 2176 E HA 0.502 4.852 4.350 0.000 0.000 0.267 2176 E C -1.479 174.782 176.600 -0.566 0.000 0.906 2176 E CA -0.791 55.404 56.400 -0.342 0.000 0.781 2176 E CB 1.375 30.847 29.700 -0.381 0.000 1.261 2176 E HN 0.550 nan 8.360 nan 0.000 0.436 2177 H N 0.087 118.884 119.070 -0.455 0.000 2.499 2177 H HA 0.480 5.036 4.556 0.000 0.000 0.340 2177 H C -1.056 173.872 175.328 -0.666 0.000 1.148 2177 H CA -0.275 55.559 56.048 -0.356 0.000 1.215 2177 H CB 0.907 30.559 29.762 -0.183 0.000 1.529 2177 H HN 0.238 nan 8.280 nan 0.000 0.510 2178 F N -0.124 119.875 119.950 0.083 0.000 2.588 2178 F HA 0.363 4.890 4.527 -0.000 0.000 0.314 2178 F C 0.369 176.084 175.800 -0.142 0.000 1.069 2178 F CA -0.968 57.023 58.000 -0.016 0.000 0.931 2178 F CB 1.998 41.001 39.000 0.005 0.000 1.260 2178 F HN 0.474 nan 8.300 nan 0.000 0.465 2179 S N 1.641 117.370 115.700 0.048 0.000 2.672 2179 S HA 0.604 5.074 4.470 0.000 0.000 0.276 2179 S C -2.798 171.642 174.600 -0.266 0.000 1.207 2179 S CA -1.476 56.679 58.200 -0.074 0.000 1.002 2179 S CB 1.084 64.279 63.200 -0.009 0.000 0.998 2179 S HN 0.246 nan 8.310 nan 0.000 0.542 2180 P HA 0.080 nan 4.420 nan 0.000 0.263 2180 P C -0.942 176.237 177.300 -0.202 0.000 1.175 2180 P CA 0.577 63.513 63.100 -0.274 0.000 0.761 2180 P CB -0.075 31.552 31.700 -0.121 0.000 0.794 2181 F N 1.815 121.747 119.950 -0.030 0.000 2.377 2181 F HA 0.350 4.877 4.527 -0.000 0.000 0.328 2181 F C 1.917 177.690 175.800 -0.044 0.000 1.094 2181 F CA -0.668 57.300 58.000 -0.054 0.000 1.093 2181 F CB 1.011 39.957 39.000 -0.089 0.000 1.214 2181 F HN 0.191 nan 8.300 nan 0.000 0.518 2182 R N 0.393 120.995 120.500 0.170 0.000 2.300 2182 R HA 0.104 4.444 4.340 0.000 0.000 0.199 2182 R C -0.043 176.284 176.300 0.044 0.000 0.920 2182 R CA -0.179 55.966 56.100 0.075 0.000 1.046 2182 R CB 0.323 30.656 30.300 0.055 0.000 0.984 2182 R HN 0.413 nan 8.270 nan 0.000 0.493 2183 V N 1.962 121.912 119.914 0.059 0.000 2.644 2183 V HA -0.174 3.946 4.120 0.000 0.000 0.305 2183 V C 0.673 176.743 176.094 -0.039 0.000 1.053 2183 V CA 1.169 63.483 62.300 0.024 0.000 1.186 2183 V CB 1.024 32.864 31.823 0.028 0.000 0.895 2183 V HN 0.393 nan 8.190 nan 0.000 0.490 2184 Q N 3.722 123.437 119.800 -0.141 0.000 2.391 2184 Q HA 0.261 4.601 4.340 0.000 0.000 0.243 2184 Q C -0.591 175.024 176.000 -0.642 0.000 0.874 2184 Q CA 0.283 55.830 55.803 -0.426 0.000 0.950 2184 Q CB 0.786 29.157 28.738 -0.610 0.000 1.103 2184 Q HN 0.973 nan 8.270 nan 0.000 0.544 2185 H N -0.156 118.947 119.070 0.055 0.000 2.744 2185 H HA 0.557 5.113 4.556 -0.000 0.000 0.339 2185 H C -1.305 174.154 175.328 0.218 0.000 1.004 2185 H CA -0.352 55.756 56.048 0.100 0.000 1.257 2185 H CB 1.587 31.450 29.762 0.169 0.000 1.552 2185 H HN -0.028 nan 8.280 nan 0.000 0.522 2186 M N 2.651 122.469 119.600 0.362 0.000 2.322 2186 M HA 0.291 4.771 4.480 0.000 0.000 0.286 2186 M C -1.980 174.497 176.300 0.295 0.000 1.111 2186 M CA -0.666 54.812 55.300 0.296 0.000 0.941 2186 M CB 1.992 34.727 32.600 0.226 0.000 1.671 2186 M HN 0.610 nan 8.290 nan 0.000 0.470 2187 D N 4.814 125.275 120.400 0.100 0.000 2.471 2187 D HA 0.399 5.039 4.640 0.000 0.000 0.245 2187 D C -0.636 175.589 176.300 -0.126 0.000 1.116 2187 D CA -0.236 53.757 54.000 -0.012 0.000 0.853 2187 D CB 1.144 41.853 40.800 -0.151 0.000 1.123 2187 D HN 0.759 nan 8.370 nan 0.000 0.540 2188 L N 2.331 123.515 121.223 -0.065 0.000 2.959 2188 L HA 0.173 4.513 4.340 0.000 0.000 0.259 2188 L C 0.700 177.517 176.870 -0.088 0.000 1.185 2188 L CA -0.362 54.421 54.840 -0.095 0.000 0.998 2188 L CB 0.165 42.207 42.059 -0.028 0.000 1.337 2188 L HN 0.318 nan 8.230 nan 0.000 0.555 2189 S N 0.090 115.740 115.700 -0.083 0.000 2.552 2189 S HA -0.001 4.469 4.470 0.000 0.000 0.289 2189 S C 0.912 175.448 174.600 -0.106 0.000 1.304 2189 S CA -0.272 57.884 58.200 -0.073 0.000 1.063 2189 S CB 0.323 63.480 63.200 -0.072 0.000 0.848 2189 S HN 0.523 nan 8.310 nan 0.000 0.499 2190 N N 0.057 118.706 118.700 -0.084 0.000 2.741 2190 N HA -0.153 4.587 4.740 0.000 0.000 0.250 2190 N C -0.576 174.833 175.510 -0.169 0.000 1.115 2190 N CA 1.094 54.080 53.050 -0.108 0.000 0.724 2190 N CB -1.833 36.584 38.487 -0.116 0.000 1.090 2190 N HN 0.664 nan 8.380 nan 0.000 0.558 2191 S N -0.070 115.532 115.700 -0.164 0.000 2.652 2191 S HA 0.478 4.948 4.470 0.000 0.000 0.270 2191 S C 0.775 175.270 174.600 -0.175 0.000 1.243 2191 S CA -0.608 57.453 58.200 -0.231 0.000 0.999 2191 S CB 2.262 65.360 63.200 -0.170 0.000 0.973 2191 S HN 0.077 nan 8.310 nan 0.000 0.544 2192 V N 2.787 122.577 119.914 -0.208 0.000 2.304 2192 V HA 0.527 4.647 4.120 0.000 0.000 0.269 2192 V C -0.240 175.854 176.094 -0.001 0.000 1.036 2192 V CA -0.153 62.116 62.300 -0.052 0.000 0.840 2192 V CB -0.180 31.682 31.823 0.064 0.000 1.036 2192 V HN 0.703 nan 8.190 nan 0.000 0.466 2193 I N 2.681 123.258 120.570 0.012 0.000 2.680 2193 I HA 0.477 4.647 4.170 0.000 0.000 0.291 2193 I C -0.264 175.878 176.117 0.041 0.000 1.244 2193 I CA -0.443 60.873 61.300 0.026 0.000 1.042 2193 I CB 2.096 40.109 38.000 0.021 0.000 1.277 2193 I HN 0.426 nan 8.210 nan 0.000 0.423 2194 E N 4.434 124.661 120.200 0.044 0.000 2.390 2194 E HA 0.089 4.439 4.350 0.000 0.000 0.261 2194 E C 0.961 177.602 176.600 0.068 0.000 1.076 2194 E CA -0.035 56.397 56.400 0.053 0.000 0.905 2194 E CB 1.834 31.561 29.700 0.046 0.000 0.984 2194 E HN 0.563 nan 8.360 nan 0.000 0.427 2195 V N 2.311 122.269 119.914 0.073 0.000 2.282 2195 V HA -0.334 3.786 4.120 0.000 0.000 0.249 2195 V C 2.456 178.613 176.094 0.106 0.000 1.057 2195 V CA 2.606 64.958 62.300 0.087 0.000 1.032 2195 V CB -0.726 31.144 31.823 0.077 0.000 0.645 2195 V HN 0.762 nan 8.190 nan 0.000 0.447 2196 S N -0.790 114.963 115.700 0.088 0.000 2.383 2196 S HA -0.222 4.248 4.470 0.000 0.000 0.227 2196 S C 1.928 176.613 174.600 0.141 0.000 1.026 2196 S CA 1.930 60.195 58.200 0.108 0.000 0.981 2196 S CB -0.810 62.433 63.200 0.072 0.000 0.818 2196 S HN 0.594 nan 8.310 nan 0.000 0.472 2197 T N 2.815 117.431 114.554 0.103 0.000 2.708 2197 T HA 0.029 4.379 4.350 0.000 0.000 0.266 2197 T C 1.679 176.445 174.700 0.110 0.000 1.037 2197 T CA 1.328 63.486 62.100 0.096 0.000 1.146 2197 T CB -0.635 68.268 68.868 0.058 0.000 0.865 2197 T HN 0.220 nan 8.240 nan 0.000 0.435 2198 L N 0.983 122.270 121.223 0.108 0.000 2.042 2198 L HA -0.140 4.200 4.340 0.000 0.000 0.210 2198 L C 2.347 179.292 176.870 0.126 0.000 1.076 2198 L CA 1.821 56.725 54.840 0.107 0.000 0.749 2198 L CB -0.931 41.188 42.059 0.100 0.000 0.893 2198 L HN 0.440 nan 8.230 nan 0.000 0.432 2199 H N -1.009 118.099 119.070 0.064 0.000 2.321 2199 H HA -0.126 4.430 4.556 0.000 0.000 0.300 2199 H C 1.929 177.300 175.328 0.073 0.000 1.087 2199 H CA 1.549 57.633 56.048 0.061 0.000 1.319 2199 H CB -0.069 29.726 29.762 0.055 0.000 1.379 2199 H HN 0.434 nan 8.280 nan 0.000 0.501 2200 G N 1.269 110.133 108.800 0.107 0.000 2.476 2200 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 2200 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 2200 G C 1.973 176.919 174.900 0.076 0.000 1.164 2200 G CA 1.191 46.343 45.100 0.087 0.000 0.768 2200 G HN 0.416 nan 8.290 nan 0.000 0.560 2201 I N 0.246 120.883 120.570 0.113 0.000 2.142 2201 I HA -0.118 4.052 4.170 0.000 0.000 0.240 2201 I C 2.693 178.896 176.117 0.144 0.000 1.078 2201 I CA 0.846 62.259 61.300 0.188 0.000 1.343 2201 I CB -0.277 37.808 38.000 0.141 0.000 1.046 2201 I HN 0.104 nan 8.210 nan 0.000 0.405 2202 L N 0.520 121.769 121.223 0.043 0.000 2.217 2202 L HA -0.131 4.209 4.340 0.000 0.000 0.211 2202 L C 2.682 179.501 176.870 -0.086 0.000 1.107 2202 L CA 1.174 56.017 54.840 0.004 0.000 0.783 2202 L CB -0.600 41.460 42.059 0.001 0.000 0.919 2202 L HN 0.352 nan 8.230 nan 0.000 0.442 2203 S N -1.096 114.481 115.700 -0.206 0.000 2.469 2203 S HA -0.155 4.315 4.470 0.000 0.000 0.238 2203 S C 1.677 176.175 174.600 -0.171 0.000 0.998 2203 S CA 0.653 58.707 58.200 -0.244 0.000 0.957 2203 S CB -0.145 62.827 63.200 -0.380 0.000 0.764 2203 S HN 0.408 nan 8.310 nan 0.000 0.514 2204 Q N 0.070 119.754 119.800 -0.193 0.000 2.280 2204 Q HA 0.331 4.671 4.340 0.000 0.000 0.201 2204 Q C -0.379 175.492 176.000 -0.215 0.000 0.890 2204 Q CA -0.045 55.554 55.803 -0.340 0.000 0.947 2204 Q CB -0.043 28.183 28.738 -0.853 0.000 1.081 2204 Q HN 0.559 nan 8.270 nan 0.000 0.502 2205 C N 0.251 119.517 119.300 -0.058 0.000 2.298 2205 C HA 0.525 4.985 4.460 0.000 0.000 0.323 2205 C C 1.316 176.294 174.990 -0.019 0.000 1.284 2205 C CA -0.416 58.613 59.018 0.018 0.000 1.577 2205 C CB 1.134 28.920 27.740 0.076 0.000 2.249 2205 C HN 0.285 nan 8.230 nan 0.000 0.497 2206 S N 0.754 116.441 115.700 -0.021 0.000 2.687 2206 S HA 0.065 4.535 4.470 0.000 0.000 0.247 2206 S C 1.364 175.944 174.600 -0.033 0.000 1.050 2206 S CA -0.040 58.142 58.200 -0.030 0.000 1.063 2206 S CB 0.098 63.278 63.200 -0.034 0.000 1.039 2206 S HN 0.686 nan 8.310 nan 0.000 0.580 2207 K N 1.484 121.865 120.400 -0.031 0.000 2.372 2207 K HA 0.358 4.678 4.320 0.000 0.000 0.200 2207 K C -0.037 176.508 176.600 -0.092 0.000 1.022 2207 K CA -0.089 56.167 56.287 -0.052 0.000 1.125 2207 K CB -0.053 32.424 32.500 -0.039 0.000 0.855 2207 K HN 0.338 nan 8.250 nan 0.000 0.524 2208 L N 1.587 122.759 121.223 -0.085 0.000 2.499 2208 L HA 0.012 4.352 4.340 0.000 0.000 0.273 2208 L C 1.819 178.588 176.870 -0.169 0.000 1.195 2208 L CA 0.341 55.103 54.840 -0.129 0.000 0.882 2208 L CB 0.531 42.543 42.059 -0.079 0.000 1.133 2208 L HN 0.185 nan 8.230 nan 0.000 0.483 2209 Q N 2.148 121.791 119.800 -0.263 0.000 2.394 2209 Q HA 0.133 4.473 4.340 0.000 0.000 0.218 2209 Q C -0.283 175.533 176.000 -0.307 0.000 0.907 2209 Q CA 0.409 56.066 55.803 -0.244 0.000 0.919 2209 Q CB 0.774 29.369 28.738 -0.237 0.000 1.051 2209 Q HN 0.649 nan 8.270 nan 0.000 0.538 2210 N N 0.745 119.198 118.700 -0.412 0.000 2.430 2210 N HA 0.342 5.082 4.740 0.000 0.000 0.290 2210 N C -1.890 173.309 175.510 -0.518 0.000 1.063 2210 N CA -0.317 52.267 53.050 -0.776 0.000 0.883 2210 N CB 2.258 39.811 38.487 -1.557 0.000 1.465 2210 N HN 0.066 nan 8.380 nan 0.000 0.493 2211 L N 0.986 122.055 121.223 -0.256 0.000 2.431 2211 L HA 0.587 4.927 4.340 0.000 0.000 0.266 2211 L C -0.841 176.196 176.870 0.278 0.000 0.978 2211 L CA -0.294 54.598 54.840 0.087 0.000 0.822 2211 L CB 2.149 44.226 42.059 0.030 0.000 1.310 2211 L HN 0.426 nan 8.230 nan 0.000 0.409 2212 S N 4.836 120.751 115.700 0.359 0.000 2.552 2212 S HA 0.605 5.075 4.470 0.000 0.000 0.314 2212 S C -0.099 174.569 174.600 0.113 0.000 1.099 2212 S CA -0.549 57.787 58.200 0.227 0.000 1.070 2212 S CB 0.679 63.989 63.200 0.183 0.000 0.998 2212 S HN 0.719 nan 8.310 nan 0.000 0.474 2213 L N 3.512 124.786 121.223 0.085 0.000 3.066 2213 L HA 0.389 4.729 4.340 0.000 0.000 0.265 2213 L C 0.803 177.704 176.870 0.053 0.000 1.232 2213 L CA -0.184 54.690 54.840 0.056 0.000 1.031 2213 L CB 0.098 42.188 42.059 0.052 0.000 1.379 2213 L HN 0.688 nan 8.230 nan 0.000 0.563 2214 E N 1.294 121.523 120.200 0.050 0.000 2.652 2214 E HA 0.023 4.373 4.350 0.000 0.000 0.255 2214 E C 1.256 177.874 176.600 0.031 0.000 0.952 2214 E CA 1.080 57.507 56.400 0.046 0.000 0.947 2214 E CB 0.283 29.998 29.700 0.025 0.000 0.912 2214 E HN 0.421 nan 8.360 nan 0.000 0.489 2215 G N 3.686 112.521 108.800 0.058 0.000 2.157 2215 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 2215 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 2215 G C 0.018 174.961 174.900 0.071 0.000 0.979 2215 G CA 0.228 45.361 45.100 0.056 0.000 0.650 2215 G HN 0.465 nan 8.290 nan 0.000 0.529 2216 L N 0.143 121.415 121.223 0.080 0.000 2.309 2216 L HA 0.634 4.974 4.340 0.000 0.000 0.282 2216 L C 0.885 177.830 176.870 0.124 0.000 1.036 2216 L CA -1.354 53.536 54.840 0.084 0.000 0.806 2216 L CB 1.463 43.559 42.059 0.061 0.000 1.220 2216 L HN 0.137 nan 8.230 nan 0.000 0.429 2217 R N 2.798 123.375 120.500 0.127 0.000 2.449 2217 R HA 0.384 4.724 4.340 0.000 0.000 0.296 2217 R C -0.845 175.540 176.300 0.141 0.000 1.047 2217 R CA 0.463 56.649 56.100 0.143 0.000 1.018 2217 R CB 0.079 30.459 30.300 0.134 0.000 0.962 2217 R HN 0.527 nan 8.270 nan 0.000 0.428 2218 L N 2.086 123.421 121.223 0.187 0.000 2.664 2218 L HA 0.671 5.011 4.340 0.000 0.000 0.253 2218 L C 0.026 177.015 176.870 0.198 0.000 1.293 2218 L CA -1.002 53.947 54.840 0.183 0.000 1.280 2218 L CB 1.309 43.471 42.059 0.170 0.000 1.993 2218 L HN 0.875 nan 8.230 nan 0.000 0.577 2219 S N -2.888 112.928 115.700 0.193 0.000 2.611 2219 S HA 0.256 4.726 4.470 0.000 0.000 0.268 2219 S C -0.397 174.310 174.600 0.179 0.000 1.156 2219 S CA -0.701 57.605 58.200 0.177 0.000 0.817 2219 S CB 1.490 64.747 63.200 0.096 0.000 1.122 2219 S HN 0.524 nan 8.310 nan 0.000 0.466 2220 D N 1.552 122.053 120.400 0.167 0.000 2.104 2220 D HA 0.080 4.720 4.640 0.000 0.000 0.194 2220 D C -1.080 175.275 176.300 0.093 0.000 0.994 2220 D CA 1.721 55.808 54.000 0.145 0.000 0.830 2220 D CB -1.294 39.587 40.800 0.136 0.000 0.959 2220 D HN 0.469 nan 8.370 nan 0.000 0.452 2221 P HA -0.107 nan 4.420 nan 0.000 0.215 2221 P C 1.490 178.922 177.300 0.219 0.000 1.153 2221 P CA 0.889 64.034 63.100 0.076 0.000 0.853 2221 P CB 0.073 31.682 31.700 -0.151 0.000 0.788 2222 I N -1.150 119.548 120.570 0.215 0.000 2.099 2222 I HA -0.234 3.936 4.170 0.000 0.000 0.239 2222 I C 2.218 178.368 176.117 0.055 0.000 1.066 2222 I CA 1.534 62.949 61.300 0.191 0.000 1.324 2222 I CB -0.848 37.232 38.000 0.134 0.000 1.037 2222 I HN -0.182 nan 8.210 nan 0.000 0.401 2223 V N 1.192 121.095 119.914 -0.018 0.000 2.343 2223 V HA -0.268 3.852 4.120 0.000 0.000 0.247 2223 V C 2.138 178.208 176.094 -0.041 0.000 1.051 2223 V CA 1.874 64.103 62.300 -0.118 0.000 1.036 2223 V CB -0.885 30.775 31.823 -0.272 0.000 0.654 2223 V HN 0.447 nan 8.190 nan 0.000 0.451 2224 N N -0.261 118.449 118.700 0.017 0.000 2.120 2224 N HA -0.155 4.585 4.740 0.000 0.000 0.188 2224 N C 1.989 177.514 175.510 0.024 0.000 1.024 2224 N CA 1.945 55.011 53.050 0.028 0.000 0.852 2224 N CB -0.624 37.894 38.487 0.051 0.000 1.003 2224 N HN 0.408 nan 8.380 nan 0.000 0.424 2225 T N 1.251 115.832 114.554 0.045 0.000 2.915 2225 T HA 0.105 4.455 4.350 0.000 0.000 0.269 2225 T C 1.940 176.631 174.700 -0.016 0.000 1.071 2225 T CA 0.290 62.396 62.100 0.011 0.000 1.132 2225 T CB -0.089 68.766 68.868 -0.022 0.000 0.878 2225 T HN 0.104 nan 8.240 nan 0.000 0.479 2226 L N 0.642 121.854 121.223 -0.018 0.000 2.191 2226 L HA -0.054 4.286 4.340 0.000 0.000 0.212 2226 L C 2.854 179.706 176.870 -0.030 0.000 1.103 2226 L CA 1.162 55.984 54.840 -0.030 0.000 0.769 2226 L CB -0.582 41.448 42.059 -0.049 0.000 0.908 2226 L HN 0.261 nan 8.230 nan 0.000 0.438 2227 A N -0.227 122.578 122.820 -0.025 0.000 2.216 2227 A HA -0.161 4.159 4.320 0.000 0.000 0.214 2227 A C 2.161 179.734 177.584 -0.020 0.000 1.160 2227 A CA 1.035 53.059 52.037 -0.021 0.000 0.725 2227 A CB -0.309 18.682 19.000 -0.015 0.000 0.784 2227 A HN 0.352 nan 8.150 nan 0.000 0.472 2228 K N -0.047 120.340 120.400 -0.022 0.000 2.211 2228 K HA -0.092 4.228 4.320 0.000 0.000 0.203 2228 K C -0.135 176.449 176.600 -0.028 0.000 1.050 2228 K CA 1.073 57.345 56.287 -0.024 0.000 0.945 2228 K CB -0.201 32.281 32.500 -0.029 0.000 0.732 2228 K HN 0.514 nan 8.250 nan 0.000 0.451 2229 N N 1.211 119.893 118.700 -0.031 0.000 3.303 2229 N HA -0.017 4.723 4.740 0.000 0.000 0.304 2229 N C 0.383 175.870 175.510 -0.038 0.000 1.302 2229 N CA -0.213 52.814 53.050 -0.038 0.000 1.213 2229 N CB 0.622 39.084 38.487 -0.042 0.000 1.481 2229 N HN 0.081 nan 8.380 nan 0.000 0.546 2230 S N -0.691 114.990 115.700 -0.032 0.000 2.547 2230 S HA -0.031 4.439 4.470 0.000 0.000 0.235 2230 S C 1.153 175.733 174.600 -0.032 0.000 0.980 2230 S CA 0.386 58.570 58.200 -0.027 0.000 0.941 2230 S CB 0.020 63.209 63.200 -0.019 0.000 0.763 2230 S HN 0.331 nan 8.310 nan 0.000 0.532 2231 N N 1.091 119.766 118.700 -0.043 0.000 2.336 2231 N HA 0.302 5.042 4.740 0.000 0.000 0.189 2231 N C -0.148 175.321 175.510 -0.068 0.000 1.113 2231 N CA -0.066 52.953 53.050 -0.051 0.000 0.858 2231 N CB -0.278 38.176 38.487 -0.054 0.000 0.970 2231 N HN 0.444 nan 8.380 nan 0.000 0.471 2232 L N 0.810 121.990 121.223 -0.070 0.000 2.601 2232 L HA -0.060 4.280 4.340 0.000 0.000 0.277 2232 L C 1.262 178.081 176.870 -0.085 0.000 1.219 2232 L CA -0.055 54.731 54.840 -0.090 0.000 0.915 2232 L CB 0.727 42.743 42.059 -0.072 0.000 1.160 2232 L HN -0.052 nan 8.230 nan 0.000 0.494 2233 V N 3.342 123.183 119.914 -0.121 0.000 2.922 2233 V HA 0.115 4.235 4.120 0.000 0.000 0.242 2233 V C 0.701 176.725 176.094 -0.116 0.000 1.094 2233 V CA 0.693 62.929 62.300 -0.107 0.000 1.106 2233 V CB 0.048 31.802 31.823 -0.115 0.000 0.799 2233 V HN 0.690 nan 8.190 nan 0.000 0.474 2234 R N 0.485 120.870 120.500 -0.191 0.000 2.513 2234 R HA 0.654 4.994 4.340 0.000 0.000 0.301 2234 R C -1.676 174.557 176.300 -0.112 0.000 0.968 2234 R CA -0.490 55.519 56.100 -0.152 0.000 0.872 2234 R CB 2.415 32.570 30.300 -0.242 0.000 1.177 2234 R HN 0.131 nan 8.270 nan 0.000 0.444 2235 L N 2.683 123.906 121.223 -0.001 0.000 2.406 2235 L HA 0.474 4.814 4.340 0.000 0.000 0.272 2235 L C -1.369 175.561 176.870 0.100 0.000 0.980 2235 L CA -0.459 54.404 54.840 0.038 0.000 0.831 2235 L CB 1.860 43.929 42.059 0.017 0.000 1.253 2235 L HN 0.492 nan 8.230 nan 0.000 0.406 2236 N N 5.457 124.239 118.700 0.137 0.000 2.511 2236 N HA 0.390 5.130 4.740 0.000 0.000 0.249 2236 N C -0.651 174.926 175.510 0.111 0.000 0.971 2236 N CA -0.259 52.875 53.050 0.140 0.000 0.938 2236 N CB 1.072 39.661 38.487 0.172 0.000 1.131 2236 N HN 0.795 nan 8.380 nan 0.000 0.505 2237 L N 1.289 122.578 121.223 0.111 0.000 3.066 2237 L HA 0.252 4.592 4.340 0.000 0.000 0.265 2237 L C 0.827 177.772 176.870 0.125 0.000 1.232 2237 L CA -0.266 54.641 54.840 0.112 0.000 1.031 2237 L CB 0.252 42.380 42.059 0.115 0.000 1.379 2237 L HN 0.367 nan 8.230 nan 0.000 0.563 2238 S N 0.519 116.290 115.700 0.118 0.000 2.546 2238 S HA 0.233 4.703 4.470 0.000 0.000 0.290 2238 S C 1.455 176.129 174.600 0.124 0.000 1.290 2238 S CA 1.086 59.362 58.200 0.126 0.000 1.069 2238 S CB 0.389 63.667 63.200 0.131 0.000 0.846 2238 S HN 0.745 nan 8.310 nan 0.000 0.495 2239 G N 3.330 112.217 108.800 0.146 0.000 2.184 2239 G HA2 -0.272 3.688 3.960 0.000 0.000 0.264 2239 G HA3 -0.272 3.688 3.960 0.000 0.000 0.264 2239 G C 0.511 175.510 174.900 0.166 0.000 0.975 2239 G CA 0.187 45.395 45.100 0.180 0.000 0.642 2239 G HN 0.899 nan 8.290 nan 0.000 0.536 2240 C N 1.068 120.440 119.300 0.120 0.000 2.649 2240 C HA 0.784 5.244 4.460 0.000 0.000 0.377 2240 C C 1.156 176.166 174.990 0.033 0.000 1.321 2240 C CA 0.596 59.709 59.018 0.159 0.000 2.368 2240 C CB 0.987 28.881 27.740 0.257 0.000 2.597 2240 C HN 1.307 nan 8.230 nan 0.000 0.678 2241 S N -0.790 114.950 115.700 0.066 0.000 2.727 2241 S HA 0.746 5.216 4.470 0.000 0.000 0.278 2241 S C 0.018 174.634 174.600 0.027 0.000 1.186 2241 S CA 0.236 58.286 58.200 -0.249 0.000 0.836 2241 S CB 0.946 63.736 63.200 -0.683 0.000 1.186 2241 S HN 2.342 nan 8.310 nan 0.000 0.499 2242 G N -0.045 108.691 108.800 -0.107 0.000 2.157 2242 G HA2 -0.093 3.867 3.960 0.000 0.000 0.239 2242 G HA3 -0.093 3.867 3.960 0.000 0.000 0.239 2242 G C -0.269 174.741 174.900 0.182 0.000 0.982 2242 G CA 0.365 45.503 45.100 0.064 0.000 0.650 2242 G HN 1.777 nan 8.290 nan 0.000 0.527 2243 F N 0.829 120.830 119.950 0.084 0.000 2.577 2243 F HA 0.881 5.408 4.527 0.000 0.000 0.318 2243 F C 0.284 176.201 175.800 0.196 0.000 1.065 2243 F CA -1.208 56.867 58.000 0.125 0.000 0.929 2243 F CB 1.068 40.143 39.000 0.124 0.000 1.237 2243 F HN 0.414 nan 8.300 nan 0.000 0.468 2244 S N 0.575 116.445 115.700 0.283 0.000 2.669 2244 S HA 0.194 4.665 4.470 0.000 0.000 0.270 2244 S C 0.882 175.404 174.600 -0.130 0.000 1.225 2244 S CA -0.021 58.229 58.200 0.083 0.000 0.991 2244 S CB 1.073 64.368 63.200 0.158 0.000 0.987 2244 S HN 0.885 nan 8.310 nan 0.000 0.552 2245 E N 0.789 120.524 120.200 -0.775 0.000 2.347 2245 E HA -0.132 4.218 4.350 0.000 0.000 0.196 2245 E C 1.206 177.495 176.600 -0.519 0.000 1.008 2245 E CA 0.879 56.779 56.400 -0.833 0.000 0.852 2245 E CB -0.588 28.424 29.700 -1.147 0.000 0.783 2245 E HN 0.769 nan 8.360 nan 0.000 0.505 2246 F N 2.037 121.900 119.950 -0.145 0.000 2.128 2246 F HA 0.080 4.607 4.527 -0.000 0.000 0.295 2246 F C 2.876 178.642 175.800 -0.058 0.000 1.100 2246 F CA 0.838 58.777 58.000 -0.102 0.000 1.260 2246 F CB -0.526 38.429 39.000 -0.074 0.000 1.009 2246 F HN 0.089 nan 8.300 nan 0.000 0.476 2247 A N 0.402 123.331 122.820 0.181 0.000 1.902 2247 A HA -0.178 4.142 4.320 0.000 0.000 0.217 2247 A C 2.093 179.720 177.584 0.073 0.000 1.181 2247 A CA 1.585 53.700 52.037 0.130 0.000 0.623 2247 A CB -1.057 18.051 19.000 0.181 0.000 0.818 2247 A HN 0.359 nan 8.150 nan 0.000 0.443 2248 L N -0.049 121.245 121.223 0.118 0.000 2.012 2248 L HA -0.226 4.114 4.340 0.000 0.000 0.210 2248 L C 2.527 179.389 176.870 -0.014 0.000 1.073 2248 L CA 2.739 57.638 54.840 0.098 0.000 0.748 2248 L CB -0.862 41.306 42.059 0.182 0.000 0.891 2248 L HN 0.628 nan 8.230 nan 0.000 0.431 2249 Q N -1.324 118.412 119.800 -0.106 0.000 2.061 2249 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 2249 Q C 1.901 177.799 176.000 -0.170 0.000 0.984 2249 Q CA 2.638 58.282 55.803 -0.265 0.000 0.846 2249 Q CB -0.162 28.324 28.738 -0.420 0.000 0.902 2249 Q HN 0.599 nan 8.270 nan 0.000 0.421 2250 T N 1.639 116.143 114.554 -0.083 0.000 2.684 2250 T HA -0.176 4.174 4.350 0.000 0.000 0.267 2250 T C 1.724 176.407 174.700 -0.029 0.000 1.036 2250 T CA 1.282 63.356 62.100 -0.043 0.000 1.148 2250 T CB -0.377 68.484 68.868 -0.011 0.000 0.863 2250 T HN 0.252 nan 8.240 nan 0.000 0.436 2251 L N 1.052 122.259 121.223 -0.026 0.000 1.989 2251 L HA 0.003 4.343 4.340 0.000 0.000 0.211 2251 L C 2.186 179.054 176.870 -0.005 0.000 1.071 2251 L CA 1.662 56.488 54.840 -0.023 0.000 0.749 2251 L CB -0.817 41.216 42.059 -0.043 0.000 0.890 2251 L HN 0.260 nan 8.230 nan 0.000 0.431 2252 L N -0.738 120.490 121.223 0.008 0.000 2.093 2252 L HA -0.162 4.178 4.340 0.000 0.000 0.208 2252 L C 2.656 179.556 176.870 0.050 0.000 1.085 2252 L CA 1.328 56.194 54.840 0.043 0.000 0.755 2252 L CB -0.823 41.287 42.059 0.085 0.000 0.904 2252 L HN 0.525 nan 8.230 nan 0.000 0.435 2253 S N -1.589 114.132 115.700 0.034 0.000 2.402 2253 S HA -0.190 4.280 4.470 0.000 0.000 0.229 2253 S C 2.172 176.788 174.600 0.026 0.000 1.021 2253 S CA 1.290 59.519 58.200 0.048 0.000 0.974 2253 S CB -0.325 62.893 63.200 0.031 0.000 0.800 2253 S HN 0.366 nan 8.310 nan 0.000 0.484 2254 S N 0.485 116.191 115.700 0.009 0.000 2.368 2254 S HA -0.023 4.447 4.470 0.000 0.000 0.224 2254 S C 1.003 175.603 174.600 0.001 0.000 1.029 2254 S CA 0.842 59.043 58.200 0.002 0.000 0.988 2254 S CB -0.934 62.261 63.200 -0.007 0.000 0.838 2254 S HN 0.696 nan 8.310 nan 0.000 0.462 2255 C N 3.689 122.991 119.300 0.003 0.000 3.025 2255 C HA 0.378 4.838 4.460 0.000 0.000 0.547 2255 C C 1.766 176.760 174.990 0.006 0.000 1.058 2255 C CA -0.093 58.924 59.018 -0.001 0.000 1.164 2255 C CB -1.830 25.908 27.740 -0.003 0.000 1.405 2255 C HN 0.693 nan 8.230 nan 0.000 0.610 2256 S N 0.067 115.770 115.700 0.005 0.000 2.631 2256 S HA 0.106 4.576 4.470 0.000 0.000 0.217 2256 S C 1.225 175.826 174.600 0.002 0.000 0.958 2256 S CA 0.190 58.395 58.200 0.009 0.000 0.920 2256 S CB -0.057 63.149 63.200 0.011 0.000 0.776 2256 S HN 0.683 nan 8.310 nan 0.000 0.517 2257 R N 0.323 120.820 120.500 -0.006 0.000 2.572 2257 R HA 0.373 4.713 4.340 0.000 0.000 0.370 2257 R C -0.494 175.796 176.300 -0.017 0.000 1.005 2257 R CA -0.489 55.603 56.100 -0.013 0.000 1.146 2257 R CB -0.326 29.963 30.300 -0.019 0.000 1.390 2257 R HN 0.344 nan 8.270 nan 0.000 0.553 2258 L N 2.036 123.253 121.223 -0.010 0.000 2.540 2258 L HA -0.070 4.270 4.340 0.000 0.000 0.276 2258 L C 1.173 178.040 176.870 -0.005 0.000 1.212 2258 L CA 1.022 55.856 54.840 -0.011 0.000 0.893 2258 L CB 0.581 42.643 42.059 0.005 0.000 1.138 2258 L HN 0.061 nan 8.230 nan 0.000 0.491 2259 D N 1.775 122.167 120.400 -0.014 0.000 2.525 2259 D HA 0.074 4.714 4.640 0.000 0.000 0.248 2259 D C -0.343 175.962 176.300 0.008 0.000 1.000 2259 D CA 0.614 54.610 54.000 -0.006 0.000 0.923 2259 D CB 0.498 41.286 40.800 -0.019 0.000 1.101 2259 D HN 0.666 nan 8.370 nan 0.000 0.493 2260 E N 0.169 120.371 120.200 0.003 0.000 2.199 2260 E HA 0.431 4.781 4.350 0.000 0.000 0.265 2260 E C -1.346 175.280 176.600 0.043 0.000 0.882 2260 E CA -0.865 55.549 56.400 0.024 0.000 0.759 2260 E CB 2.709 32.424 29.700 0.025 0.000 1.148 2260 E HN 0.034 nan 8.360 nan 0.000 0.412 2261 L N 3.351 124.613 121.223 0.065 0.000 2.372 2261 L HA 0.363 4.703 4.340 0.000 0.000 0.274 2261 L C -1.206 175.727 176.870 0.106 0.000 0.988 2261 L CA -0.307 54.584 54.840 0.085 0.000 0.833 2261 L CB 1.471 43.584 42.059 0.090 0.000 1.236 2261 L HN 0.452 nan 8.230 nan 0.000 0.410 2262 N N 4.283 123.052 118.700 0.115 0.000 2.527 2262 N HA 0.390 5.130 4.740 0.000 0.000 0.236 2262 N C -0.767 174.828 175.510 0.142 0.000 0.999 2262 N CA -0.396 52.730 53.050 0.127 0.000 0.935 2262 N CB 0.692 39.252 38.487 0.122 0.000 1.132 2262 N HN 0.633 nan 8.380 nan 0.000 0.511 2263 L N 3.741 125.063 121.223 0.165 0.000 3.083 2263 L HA 0.346 4.686 4.340 0.000 0.000 0.286 2263 L C -0.486 176.509 176.870 0.207 0.000 1.307 2263 L CA -0.270 54.690 54.840 0.199 0.000 0.897 2263 L CB 0.010 42.226 42.059 0.261 0.000 1.306 2263 L HN 0.440 nan 8.230 nan 0.000 0.569 2264 S N -2.273 113.502 115.700 0.125 0.000 2.608 2264 S HA 0.542 5.012 4.470 0.000 0.000 0.291 2264 S C -0.124 174.450 174.600 -0.044 0.000 1.146 2264 S CA -0.346 57.835 58.200 -0.032 0.000 1.043 2264 S CB 0.504 63.734 63.200 0.052 0.000 1.037 2264 S HN 0.429 nan 8.310 nan 0.000 0.520 2265 W N -0.441 120.628 121.300 -0.386 0.000 4.551 2265 W HA -0.225 4.435 4.660 0.000 0.000 0.343 2265 W C -0.200 176.230 176.519 -0.148 0.000 1.269 2265 W CA -0.400 56.784 57.345 -0.269 0.000 0.799 2265 W CB -2.421 26.962 29.460 -0.129 0.000 2.352 2265 W HN 0.694 nan 8.180 nan 0.000 1.462 2266 C N 2.400 121.599 119.300 -0.168 0.000 2.428 2266 C HA 0.115 4.575 4.460 0.000 0.000 0.362 2266 C C 2.159 176.948 174.990 -0.336 0.000 1.114 2266 C CA -0.057 58.681 59.018 -0.467 0.000 1.473 2266 C CB -2.183 24.732 27.740 -1.376 0.000 2.003 2266 C HN 0.409 nan 8.230 nan 0.000 0.526 2267 F N 1.727 121.639 119.950 -0.063 0.000 2.333 2267 F HA -0.091 4.436 4.527 0.000 0.000 0.300 2267 F C 1.651 177.468 175.800 0.029 0.000 1.083 2267 F CA 1.495 59.516 58.000 0.034 0.000 1.395 2267 F CB -0.559 38.482 39.000 0.067 0.000 1.056 2267 F HN 0.493 nan 8.300 nan 0.000 0.529 2268 D N -0.425 119.690 120.400 -0.475 0.000 2.328 2268 D HA -0.025 4.615 4.640 0.000 0.000 0.221 2268 D C 0.320 176.504 176.300 -0.193 0.000 1.072 2268 D CA -0.560 53.287 54.000 -0.256 0.000 0.850 2268 D CB -1.262 39.300 40.800 -0.395 0.000 0.922 2268 D HN 0.342 nan 8.370 nan 0.000 0.516 2269 F N 1.848 121.502 119.950 -0.494 0.000 2.607 2269 F HA 0.071 4.598 4.527 -0.000 0.000 0.374 2269 F C 1.787 177.442 175.800 -0.241 0.000 1.104 2269 F CA -0.072 57.530 58.000 -0.664 0.000 1.296 2269 F CB 0.763 39.450 39.000 -0.522 0.000 1.085 2269 F HN -0.084 nan 8.300 nan 0.000 0.584 2270 T N -0.714 113.872 114.554 0.054 0.000 2.889 2270 T HA 0.134 4.484 4.350 0.000 0.000 0.278 2270 T C 1.005 175.707 174.700 0.004 0.000 0.995 2270 T CA -0.668 61.476 62.100 0.074 0.000 0.966 2270 T CB 1.451 70.360 68.868 0.069 0.000 1.237 2270 T HN 0.628 nan 8.240 nan 0.000 0.591 2271 E N 0.534 120.722 120.200 -0.019 0.000 2.265 2271 E HA -0.163 4.187 4.350 0.000 0.000 0.196 2271 E C 1.349 177.878 176.600 -0.117 0.000 0.996 2271 E CA 0.958 57.325 56.400 -0.056 0.000 0.832 2271 E CB -0.278 29.405 29.700 -0.029 0.000 0.756 2271 E HN 0.533 nan 8.360 nan 0.000 0.491 2272 K N 0.802 121.106 120.400 -0.161 0.000 2.026 2272 K HA -0.126 4.194 4.320 0.000 0.000 0.208 2272 K C 2.129 178.489 176.600 -0.401 0.000 1.048 2272 K CA 1.666 57.781 56.287 -0.287 0.000 0.929 2272 K CB -0.808 31.453 32.500 -0.398 0.000 0.713 2272 K HN 0.415 nan 8.250 nan 0.000 0.439 2273 H N 0.504 119.262 119.070 -0.521 0.000 2.319 2273 H HA -0.071 4.485 4.556 0.000 0.000 0.299 2273 H C 2.184 177.160 175.328 -0.587 0.000 1.092 2273 H CA 1.542 57.103 56.048 -0.811 0.000 1.302 2273 H CB -0.382 28.352 29.762 -1.714 0.000 1.373 2273 H HN -0.121 nan 8.280 nan 0.000 0.497 2274 V N 0.673 120.396 119.914 -0.318 0.000 2.343 2274 V HA -0.285 3.835 4.120 0.000 0.000 0.247 2274 V C 2.134 178.156 176.094 -0.119 0.000 1.051 2274 V CA 1.976 64.148 62.300 -0.214 0.000 1.036 2274 V CB -0.504 31.211 31.823 -0.180 0.000 0.654 2274 V HN 0.459 nan 8.190 nan 0.000 0.451 2275 Q N -0.697 119.031 119.800 -0.121 0.000 2.079 2275 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 2275 Q C 2.368 178.339 176.000 -0.049 0.000 0.974 2275 Q CA 1.569 57.326 55.803 -0.077 0.000 0.840 2275 Q CB -0.297 28.394 28.738 -0.079 0.000 0.898 2275 Q HN 0.509 nan 8.270 nan 0.000 0.430 2276 V N 1.012 120.883 119.914 -0.072 0.000 2.287 2276 V HA -0.332 3.788 4.120 0.000 0.000 0.248 2276 V C 2.248 178.401 176.094 0.098 0.000 1.053 2276 V CA 1.903 64.233 62.300 0.049 0.000 1.027 2276 V CB -0.993 30.757 31.823 -0.121 0.000 0.646 2276 V HN 0.446 nan 8.190 nan 0.000 0.447 2277 A N 0.468 123.292 122.820 0.007 0.000 1.865 2277 A HA -0.201 4.119 4.320 0.000 0.000 0.217 2277 A C 2.381 180.003 177.584 0.063 0.000 1.191 2277 A CA 2.697 54.770 52.037 0.060 0.000 0.623 2277 A CB -0.885 18.155 19.000 0.068 0.000 0.826 2277 A HN 0.690 nan 8.150 nan 0.000 0.444 2278 V N -2.981 116.949 119.914 0.027 0.000 2.548 2278 V HA 0.124 4.244 4.120 0.000 0.000 0.249 2278 V C 2.375 178.454 176.094 -0.025 0.000 1.055 2278 V CA 1.729 64.038 62.300 0.016 0.000 1.065 2278 V CB -1.131 30.698 31.823 0.011 0.000 0.681 2278 V HN 0.529 nan 8.190 nan 0.000 0.462 2279 A N -1.216 121.561 122.820 -0.071 0.000 2.123 2279 A HA 0.067 4.387 4.320 0.000 0.000 0.214 2279 A C 1.958 179.294 177.584 -0.413 0.000 1.152 2279 A CA 1.039 52.937 52.037 -0.230 0.000 0.728 2279 A CB -0.558 18.272 19.000 -0.284 0.000 0.814 2279 A HN 0.746 nan 8.150 nan 0.000 0.464 2280 H N -1.131 117.937 119.070 -0.002 0.000 3.046 2280 H HA 0.182 4.738 4.556 -0.000 0.000 0.262 2280 H C 0.215 175.553 175.328 0.015 0.000 1.044 2280 H CA 0.230 56.280 56.048 0.004 0.000 1.209 2280 H CB 0.193 29.953 29.762 -0.003 0.000 1.507 2280 H HN 0.229 nan 8.280 nan 0.000 0.507 2281 V N 2.045 122.021 119.914 0.104 0.000 2.814 2281 V HA -0.083 4.037 4.120 0.000 0.000 0.307 2281 V C 1.246 177.375 176.094 0.057 0.000 1.089 2281 V CA -0.019 62.330 62.300 0.081 0.000 1.212 2281 V CB 0.836 32.702 31.823 0.072 0.000 0.912 2281 V HN 0.213 nan 8.190 nan 0.000 0.497 2282 S N 2.038 117.769 115.700 0.051 0.000 2.552 2282 S HA 0.000 4.470 4.470 0.000 0.000 0.289 2282 S C 1.211 175.828 174.600 0.029 0.000 1.304 2282 S CA -0.076 58.146 58.200 0.035 0.000 1.063 2282 S CB 0.186 63.402 63.200 0.027 0.000 0.848 2282 S HN 0.863 nan 8.310 nan 0.000 0.499 2283 E N 2.075 122.288 120.200 0.022 0.000 2.267 2283 E HA -0.149 4.201 4.350 0.000 0.000 0.197 2283 E C 1.919 178.529 176.600 0.016 0.000 0.998 2283 E CA 1.599 58.011 56.400 0.020 0.000 0.830 2283 E CB -0.232 29.477 29.700 0.015 0.000 0.751 2283 E HN 0.934 nan 8.360 nan 0.000 0.491 2284 T N -0.660 113.901 114.554 0.011 0.000 3.035 2284 T HA -0.050 4.300 4.350 0.000 0.000 0.268 2284 T C 0.915 175.617 174.700 0.004 0.000 1.109 2284 T CA -0.223 61.877 62.100 -0.000 0.000 1.119 2284 T CB -0.224 68.641 68.868 -0.005 0.000 0.900 2284 T HN -0.026 nan 8.240 nan 0.000 0.503 2285 I N 3.954 124.537 120.570 0.021 0.000 2.821 2285 I HA 0.047 4.217 4.170 0.000 0.000 0.294 2285 I C 1.572 177.714 176.117 0.041 0.000 1.210 2285 I CA 0.643 61.963 61.300 0.034 0.000 1.430 2285 I CB 0.908 38.939 38.000 0.051 0.000 1.356 2285 I HN 0.409 nan 8.210 nan 0.000 0.563 2286 T N 3.329 117.909 114.554 0.044 0.000 2.985 2286 T HA 0.276 4.626 4.350 0.000 0.000 0.254 2286 T C 0.396 175.167 174.700 0.119 0.000 1.021 2286 T CA -0.089 62.053 62.100 0.069 0.000 0.957 2286 T CB 0.039 68.937 68.868 0.049 0.000 1.047 2286 T HN 0.620 nan 8.240 nan 0.000 0.511 2287 Q N 0.863 120.719 119.800 0.092 0.000 2.275 2287 Q HA 0.643 4.983 4.340 0.000 0.000 0.266 2287 Q C -2.179 173.879 176.000 0.096 0.000 1.002 2287 Q CA -0.784 55.081 55.803 0.103 0.000 0.761 2287 Q CB 2.704 31.435 28.738 -0.011 0.000 1.255 2287 Q HN 0.245 nan 8.270 nan 0.000 0.446 2288 L N 2.822 124.121 121.223 0.127 0.000 2.409 2288 L HA 0.529 4.869 4.340 0.000 0.000 0.272 2288 L C -1.497 175.452 176.870 0.131 0.000 0.980 2288 L CA -0.275 54.638 54.840 0.122 0.000 0.826 2288 L CB 1.786 43.918 42.059 0.123 0.000 1.268 2288 L HN 0.485 nan 8.230 nan 0.000 0.407 2289 N N 5.602 124.378 118.700 0.127 0.000 2.476 2289 N HA 0.333 5.073 4.740 0.000 0.000 0.257 2289 N C -1.055 174.537 175.510 0.136 0.000 0.970 2289 N CA -0.199 52.926 53.050 0.126 0.000 0.938 2289 N CB 1.210 39.771 38.487 0.124 0.000 1.144 2289 N HN 0.796 nan 8.380 nan 0.000 0.500 2290 L N 2.656 123.958 121.223 0.133 0.000 3.255 2290 L HA 0.204 4.544 4.340 0.000 0.000 0.293 2290 L C 0.261 177.180 176.870 0.081 0.000 1.302 2290 L CA -0.123 54.838 54.840 0.201 0.000 0.977 2290 L CB 0.036 42.227 42.059 0.220 0.000 1.390 2290 L HN 0.455 nan 8.230 nan 0.000 0.588 2291 S N -1.759 113.869 115.700 -0.121 0.000 2.617 2291 S HA 0.621 5.091 4.470 0.000 0.000 0.269 2291 S C 1.088 174.999 174.600 -1.149 0.000 1.292 2291 S CA 0.435 58.420 58.200 -0.357 0.000 1.010 2291 S CB 1.738 64.874 63.200 -0.106 0.000 0.944 2291 S HN 0.555 nan 8.310 nan 0.000 0.536 2292 G N 0.516 108.529 108.800 -1.312 0.000 2.159 2292 G HA2 -0.227 3.733 3.960 0.000 0.000 0.227 2292 G HA3 -0.227 3.733 3.960 0.000 0.000 0.227 2292 G C 0.114 174.136 174.900 -1.464 0.000 0.986 2292 G CA 0.282 43.992 45.100 -2.316 0.000 0.651 2292 G HN 0.800 nan 8.290 nan 0.000 0.523 2293 Y N 0.251 120.287 120.300 -0.440 0.000 2.449 2293 Y HA 0.380 4.930 4.550 0.000 0.000 0.254 2293 Y C 2.020 177.862 175.900 -0.097 0.000 1.140 2293 Y CA 0.153 58.134 58.100 -0.198 0.000 1.272 2293 Y CB 0.219 38.628 38.460 -0.085 0.000 1.114 2293 Y HN 0.342 nan 8.280 nan 0.000 0.525 2294 R N 0.259 120.745 120.500 -0.024 0.000 3.750 2294 R HA -0.376 3.964 4.340 0.000 0.000 0.495 2294 R C 1.379 177.721 176.300 0.070 0.000 0.241 2294 R CA 1.758 57.875 56.100 0.029 0.000 1.551 2294 R CB -1.026 29.301 30.300 0.046 0.000 0.956 2294 R HN 0.203 nan 8.270 nan 0.000 0.584 2295 K N 0.882 121.327 120.400 0.075 0.000 2.318 2295 K HA -0.188 4.132 4.320 0.000 0.000 0.204 2295 K C 1.355 177.996 176.600 0.068 0.000 1.044 2295 K CA 1.774 58.103 56.287 0.070 0.000 0.932 2295 K CB -0.318 32.221 32.500 0.066 0.000 0.734 2295 K HN 0.289 nan 8.250 nan 0.000 0.473 2296 N N 0.442 119.195 118.700 0.088 0.000 2.412 2296 N HA 0.010 4.750 4.740 0.000 0.000 0.184 2296 N C -0.087 175.460 175.510 0.061 0.000 1.101 2296 N CA 0.339 53.434 53.050 0.074 0.000 0.881 2296 N CB 0.293 38.835 38.487 0.091 0.000 0.969 2296 N HN 0.164 nan 8.380 nan 0.000 0.459 2297 L N 1.494 122.769 121.223 0.087 0.000 2.298 2297 L HA 0.272 4.612 4.340 0.000 0.000 0.284 2297 L C -0.713 176.192 176.870 0.059 0.000 1.013 2297 L CA -0.539 54.347 54.840 0.076 0.000 0.824 2297 L CB 1.033 43.166 42.059 0.123 0.000 1.221 2297 L HN -0.142 nan 8.230 nan 0.000 0.418 2298 Q N 2.937 122.761 119.800 0.039 0.000 2.240 2298 Q HA 0.181 4.521 4.340 0.000 0.000 0.260 2298 Q C 0.284 176.300 176.000 0.027 0.000 1.018 2298 Q CA -0.544 55.278 55.803 0.030 0.000 0.898 2298 Q CB 1.956 30.704 28.738 0.017 0.000 1.301 2298 Q HN 0.592 nan 8.270 nan 0.000 0.469 2299 K N 0.612 121.024 120.400 0.020 0.000 2.103 2299 K HA -0.182 4.138 4.320 0.000 0.000 0.207 2299 K C 1.638 178.234 176.600 -0.006 0.000 1.048 2299 K CA 1.960 58.251 56.287 0.007 0.000 0.930 2299 K CB 0.043 32.542 32.500 -0.002 0.000 0.716 2299 K HN 0.629 nan 8.250 nan 0.000 0.444 2300 S N 0.849 116.546 115.700 -0.005 0.000 2.399 2300 S HA -0.156 4.314 4.470 0.000 0.000 0.231 2300 S C 1.380 175.975 174.600 -0.009 0.000 1.022 2300 S CA 1.376 59.569 58.200 -0.010 0.000 0.983 2300 S CB -0.312 62.882 63.200 -0.010 0.000 0.803 2300 S HN 0.331 nan 8.310 nan 0.000 0.480 2301 D N 1.728 122.128 120.400 -0.000 0.000 2.117 2301 D HA -0.022 4.618 4.640 0.000 0.000 0.197 2301 D C 1.984 178.292 176.300 0.014 0.000 0.987 2301 D CA 0.761 54.764 54.000 0.005 0.000 0.829 2301 D CB -0.465 40.343 40.800 0.014 0.000 0.961 2301 D HN 0.315 nan 8.370 nan 0.000 0.460 2302 L N 0.914 122.147 121.223 0.017 0.000 2.042 2302 L HA -0.196 4.144 4.340 0.000 0.000 0.210 2302 L C 2.267 179.127 176.870 -0.017 0.000 1.076 2302 L CA 1.161 56.007 54.840 0.009 0.000 0.749 2302 L CB -0.159 41.890 42.059 -0.018 0.000 0.893 2302 L HN -0.034 nan 8.230 nan 0.000 0.432 2303 S N -0.708 114.976 115.700 -0.027 0.000 2.348 2303 S HA -0.193 4.277 4.470 0.000 0.000 0.221 2303 S C 1.783 176.375 174.600 -0.014 0.000 1.033 2303 S CA 1.879 60.062 58.200 -0.028 0.000 1.010 2303 S CB -0.404 62.779 63.200 -0.027 0.000 0.891 2303 S HN 0.532 nan 8.310 nan 0.000 0.442 2304 T N 2.946 117.493 114.554 -0.013 0.000 2.635 2304 T HA -0.153 4.197 4.350 0.000 0.000 0.267 2304 T C 1.785 176.483 174.700 -0.005 0.000 1.040 2304 T CA 1.550 63.641 62.100 -0.016 0.000 1.156 2304 T CB -0.647 68.206 68.868 -0.024 0.000 0.863 2304 T HN 0.203 nan 8.240 nan 0.000 0.430 2305 L N 1.168 122.397 121.223 0.010 0.000 1.989 2305 L HA -0.083 4.257 4.340 0.000 0.000 0.211 2305 L C 2.513 179.406 176.870 0.038 0.000 1.071 2305 L CA 1.624 56.483 54.840 0.030 0.000 0.749 2305 L CB -0.824 41.268 42.059 0.054 0.000 0.890 2305 L HN 0.100 nan 8.230 nan 0.000 0.431 2306 V N -0.121 119.813 119.914 0.034 0.000 2.407 2306 V HA -0.289 3.831 4.120 0.000 0.000 0.248 2306 V C 2.795 178.911 176.094 0.037 0.000 1.055 2306 V CA 2.084 64.409 62.300 0.043 0.000 1.049 2306 V CB -0.731 31.104 31.823 0.020 0.000 0.662 2306 V HN 0.514 nan 8.190 nan 0.000 0.455 2307 R N -0.165 120.347 120.500 0.019 0.000 2.083 2307 R HA -0.149 4.191 4.340 0.000 0.000 0.237 2307 R C 2.534 178.845 176.300 0.018 0.000 1.137 2307 R CA 1.716 57.825 56.100 0.015 0.000 0.951 2307 R CB -0.114 30.187 30.300 0.001 0.000 0.851 2307 R HN 0.438 nan 8.270 nan 0.000 0.434 2308 R N -1.268 119.239 120.500 0.013 0.000 2.127 2308 R HA 0.069 4.409 4.340 0.000 0.000 0.217 2308 R C 0.420 176.736 176.300 0.026 0.000 1.074 2308 R CA 0.652 56.757 56.100 0.009 0.000 0.991 2308 R CB 0.417 30.712 30.300 -0.008 0.000 0.895 2308 R HN 0.183 nan 8.270 nan 0.000 0.450 2309 C N 2.114 121.438 119.300 0.041 0.000 2.787 2309 C HA 0.296 4.756 4.460 0.000 0.000 0.265 2309 C C -1.574 173.463 174.990 0.078 0.000 1.190 2309 C CA -1.366 57.684 59.018 0.055 0.000 1.616 2309 C CB 0.957 28.733 27.740 0.060 0.000 1.732 2309 C HN 0.260 nan 8.230 nan 0.000 0.433 2310 P HA -0.026 nan 4.420 nan 0.000 0.241 2310 P C 0.672 178.087 177.300 0.191 0.000 1.191 2310 P CA 1.173 64.351 63.100 0.129 0.000 0.771 2310 P CB 0.223 31.998 31.700 0.125 0.000 0.929 2311 N N -0.207 118.560 118.700 0.111 0.000 2.270 2311 N HA 0.111 4.851 4.740 0.000 0.000 0.198 2311 N C 0.537 176.093 175.510 0.078 0.000 1.117 2311 N CA -0.092 52.982 53.050 0.040 0.000 0.845 2311 N CB 0.185 38.615 38.487 -0.094 0.000 0.980 2311 N HN 0.248 nan 8.380 nan 0.000 0.486 2312 L N 1.153 122.452 121.223 0.127 0.000 2.559 2312 L HA -0.025 4.315 4.340 0.000 0.000 0.274 2312 L C 1.452 178.413 176.870 0.152 0.000 1.205 2312 L CA -0.113 54.807 54.840 0.133 0.000 0.907 2312 L CB 0.780 42.921 42.059 0.136 0.000 1.153 2312 L HN -0.125 nan 8.230 nan 0.000 0.490 2313 V N 1.953 121.966 119.914 0.166 0.000 2.908 2313 V HA 0.054 4.174 4.120 0.000 0.000 0.240 2313 V C 0.610 176.789 176.094 0.142 0.000 1.117 2313 V CA 0.375 62.776 62.300 0.167 0.000 1.133 2313 V CB -0.128 31.832 31.823 0.227 0.000 0.857 2313 V HN 0.651 nan 8.190 nan 0.000 0.478 2314 H N 0.659 119.806 119.070 0.128 0.000 2.511 2314 H HA 0.576 5.132 4.556 -0.000 0.000 0.328 2314 H C -1.404 173.978 175.328 0.091 0.000 1.044 2314 H CA -0.509 55.618 56.048 0.131 0.000 1.212 2314 H CB 2.428 32.256 29.762 0.109 0.000 1.428 2314 H HN 0.095 nan 8.280 nan 0.000 0.483 2315 L N 4.237 125.551 121.223 0.152 0.000 2.404 2315 L HA 0.265 4.605 4.340 0.000 0.000 0.272 2315 L C -1.018 175.901 176.870 0.082 0.000 0.980 2315 L CA -0.434 54.478 54.840 0.120 0.000 0.836 2315 L CB 1.592 43.717 42.059 0.111 0.000 1.238 2315 L HN 0.543 nan 8.230 nan 0.000 0.408 2316 D N 5.370 125.835 120.400 0.107 0.000 2.440 2316 D HA 0.354 4.994 4.640 0.000 0.000 0.239 2316 D C -0.467 175.884 176.300 0.084 0.000 1.084 2316 D CA -0.072 53.981 54.000 0.088 0.000 0.843 2316 D CB 1.177 42.043 40.800 0.111 0.000 1.097 2316 D HN 0.656 nan 8.370 nan 0.000 0.531 2317 L N 2.569 123.833 121.223 0.068 0.000 3.209 2317 L HA 0.212 4.552 4.340 0.000 0.000 0.279 2317 L C 0.553 177.446 176.870 0.038 0.000 1.301 2317 L CA -0.382 54.502 54.840 0.072 0.000 1.004 2317 L CB 0.600 42.738 42.059 0.131 0.000 1.402 2317 L HN 0.132 nan 8.230 nan 0.000 0.577 2318 S N 0.170 115.890 115.700 0.034 0.000 2.558 2318 S HA -0.011 4.459 4.470 0.000 0.000 0.287 2318 S C 0.330 174.920 174.600 -0.017 0.000 1.321 2318 S CA 0.146 58.368 58.200 0.037 0.000 1.048 2318 S CB 0.224 63.488 63.200 0.106 0.000 0.844 2318 S HN 0.592 nan 8.310 nan 0.000 0.512 2319 D N 0.509 120.897 120.400 -0.020 0.000 2.723 2319 D HA -0.125 4.515 4.640 0.000 0.000 0.236 2319 D C -0.799 175.449 176.300 -0.086 0.000 1.138 2319 D CA 0.797 54.766 54.000 -0.052 0.000 0.676 2319 D CB -1.438 39.380 40.800 0.031 0.000 1.069 2319 D HN 0.302 nan 8.370 nan 0.000 0.430 2320 S N -0.139 115.538 115.700 -0.039 0.000 2.269 2320 S HA 0.300 4.770 4.470 0.000 0.000 0.194 2320 S C 1.474 176.096 174.600 0.036 0.000 1.547 2320 S CA -0.805 57.401 58.200 0.010 0.000 1.186 2320 S CB 1.359 64.588 63.200 0.048 0.000 1.069 2320 S HN 0.214 nan 8.310 nan 0.000 0.473 2321 V N 1.376 121.316 119.914 0.043 0.000 2.469 2321 V HA -0.205 3.915 4.120 0.000 0.000 0.251 2321 V C 2.157 178.299 176.094 0.081 0.000 1.064 2321 V CA 1.475 63.821 62.300 0.077 0.000 1.066 2321 V CB -0.741 31.156 31.823 0.122 0.000 0.667 2321 V HN 0.677 nan 8.190 nan 0.000 0.461 2322 M N -0.280 119.362 119.600 0.071 0.000 2.557 2322 M HA 0.154 4.634 4.480 0.000 0.000 0.259 2322 M C 0.737 177.075 176.300 0.063 0.000 1.086 2322 M CA 0.720 56.057 55.300 0.062 0.000 1.096 2322 M CB -1.019 31.613 32.600 0.054 0.000 1.424 2322 M HN 0.275 nan 8.290 nan 0.000 0.488 2323 L N 1.269 122.545 121.223 0.088 0.000 2.260 2323 L HA 0.233 4.573 4.340 0.000 0.000 0.289 2323 L C 0.357 177.300 176.870 0.121 0.000 1.057 2323 L CA -0.112 54.801 54.840 0.122 0.000 0.811 2323 L CB 0.387 42.562 42.059 0.192 0.000 1.184 2323 L HN 0.131 nan 8.230 nan 0.000 0.429 2324 K N 1.567 121.995 120.400 0.047 0.000 2.246 2324 K HA 0.307 4.627 4.320 0.000 0.000 0.239 2324 K C 0.790 177.164 176.600 -0.376 0.000 1.089 2324 K CA -0.897 55.347 56.287 -0.072 0.000 0.892 2324 K CB 0.644 33.095 32.500 -0.081 0.000 1.334 2324 K HN 0.470 nan 8.250 nan 0.000 0.507 2325 N N 1.331 119.613 118.700 -0.696 0.000 2.381 2325 N HA -0.186 4.554 4.740 0.000 0.000 0.182 2325 N C 0.693 175.791 175.510 -0.686 0.000 1.025 2325 N CA 1.626 53.839 53.050 -1.395 0.000 0.888 2325 N CB -0.352 37.628 38.487 -0.846 0.000 0.965 2325 N HN 0.630 nan 8.380 nan 0.000 0.438 2326 D N 0.877 121.081 120.400 -0.326 0.000 2.378 2326 D HA -0.105 4.535 4.640 0.000 0.000 0.222 2326 D C 1.735 177.984 176.300 -0.085 0.000 0.980 2326 D CA 0.643 54.551 54.000 -0.153 0.000 0.907 2326 D CB -0.874 39.866 40.800 -0.100 0.000 0.899 2326 D HN 0.547 nan 8.370 nan 0.000 0.527 2327 C N -1.845 117.416 119.300 -0.064 0.000 2.799 2327 C HA 0.318 4.778 4.460 0.000 0.000 0.267 2327 C C 2.165 177.192 174.990 0.063 0.000 1.257 2327 C CA -0.660 58.354 59.018 -0.007 0.000 1.702 2327 C CB -1.440 26.304 27.740 0.005 0.000 1.934 2327 C HN -0.046 nan 8.230 nan 0.000 0.594 2328 F N 1.810 121.764 119.950 0.006 0.000 2.216 2328 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 2328 F C 2.563 178.504 175.800 0.236 0.000 1.085 2328 F CA 1.197 59.312 58.000 0.192 0.000 1.326 2328 F CB -0.897 38.288 39.000 0.309 0.000 1.027 2328 F HN 0.284 nan 8.300 nan 0.000 0.497 2329 Q N 0.147 120.123 119.800 0.294 0.000 2.291 2329 Q HA -0.184 4.156 4.340 0.000 0.000 0.205 2329 Q C 2.061 178.167 176.000 0.178 0.000 0.970 2329 Q CA 0.848 56.781 55.803 0.217 0.000 0.876 2329 Q CB -0.394 28.358 28.738 0.024 0.000 0.935 2329 Q HN 0.377 nan 8.270 nan 0.000 0.455 2330 E N -0.100 120.085 120.200 -0.026 0.000 2.118 2330 E HA -0.121 4.229 4.350 0.000 0.000 0.195 2330 E C 1.434 177.975 176.600 -0.099 0.000 0.992 2330 E CA 0.981 57.293 56.400 -0.148 0.000 0.804 2330 E CB -0.248 29.247 29.700 -0.342 0.000 0.741 2330 E HN 0.412 nan 8.360 nan 0.000 0.458 2331 F N -1.326 118.710 119.950 0.143 0.000 2.365 2331 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 2331 F C 1.488 177.249 175.800 -0.065 0.000 1.090 2331 F CA 0.125 58.124 58.000 -0.002 0.000 1.408 2331 F CB -0.152 38.769 39.000 -0.130 0.000 1.060 2331 F HN 0.018 nan 8.300 nan 0.000 0.534 2332 F N 0.161 120.190 119.950 0.132 0.000 2.502 2332 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 2332 F C 2.113 177.932 175.800 0.032 0.000 1.111 2332 F CA 0.625 58.665 58.000 0.066 0.000 1.445 2332 F CB -0.448 38.582 39.000 0.050 0.000 1.081 2332 F HN -0.060 nan 8.300 nan 0.000 0.558 2333 Q N 0.242 120.153 119.800 0.185 0.000 2.472 2333 Q HA 0.078 4.418 4.340 0.000 0.000 0.208 2333 Q C 0.448 176.497 176.000 0.081 0.000 0.958 2333 Q CA 0.621 56.487 55.803 0.105 0.000 0.932 2333 Q CB -0.218 28.565 28.738 0.076 0.000 1.007 2333 Q HN 0.388 nan 8.270 nan 0.000 0.508 2334 L N 2.281 123.552 121.223 0.080 0.000 2.353 2334 L HA 0.238 4.578 4.340 0.000 0.000 0.269 2334 L C 0.681 177.544 176.870 -0.012 0.000 1.085 2334 L CA -0.430 54.456 54.840 0.075 0.000 0.938 2334 L CB 0.374 42.501 42.059 0.114 0.000 1.312 2334 L HN -0.091 nan 8.230 nan 0.000 0.429 2335 N N 1.144 119.785 118.700 -0.100 0.000 2.609 2335 N HA -0.120 4.620 4.740 0.000 0.000 0.190 2335 N C 0.578 175.742 175.510 -0.577 0.000 1.157 2335 N CA 1.149 53.981 53.050 -0.362 0.000 0.918 2335 N CB 0.115 38.298 38.487 -0.507 0.000 0.978 2335 N HN 0.580 nan 8.380 nan 0.000 0.448 2336 Y N -0.612 119.682 120.300 -0.010 0.000 2.527 2336 Y HA 0.287 4.837 4.550 -0.000 0.000 0.247 2336 Y C 0.391 176.263 175.900 -0.047 0.000 1.138 2336 Y CA -0.938 57.151 58.100 -0.018 0.000 1.228 2336 Y CB 0.238 38.703 38.460 0.008 0.000 1.252 2336 Y HN -0.116 nan 8.280 nan 0.000 0.531 2337 L N 1.976 123.223 121.223 0.040 0.000 2.584 2337 L HA -0.046 4.294 4.340 0.000 0.000 0.272 2337 L C 0.731 177.506 176.870 -0.160 0.000 1.195 2337 L CA 1.188 56.002 54.840 -0.042 0.000 0.920 2337 L CB 0.638 42.658 42.059 -0.065 0.000 1.173 2337 L HN 0.333 nan 8.230 nan 0.000 0.489 2338 Q N 3.366 123.013 119.800 -0.255 0.000 2.369 2338 Q HA 0.239 4.579 4.340 0.000 0.000 0.254 2338 Q C -0.589 174.920 176.000 -0.818 0.000 0.858 2338 Q CA 0.137 55.618 55.803 -0.537 0.000 0.961 2338 Q CB 0.754 29.109 28.738 -0.639 0.000 1.119 2338 Q HN 0.639 nan 8.270 nan 0.000 0.538 2339 H N 0.283 119.177 119.070 -0.294 0.000 2.970 2339 H HA 0.348 4.904 4.556 0.000 0.000 0.315 2339 H C -1.486 173.706 175.328 -0.226 0.000 0.992 2339 H CA -0.565 55.297 56.048 -0.310 0.000 1.363 2339 H CB 1.673 31.121 29.762 -0.524 0.000 1.532 2339 H HN 0.005 nan 8.280 nan 0.000 0.514 2340 L N 2.193 123.323 121.223 -0.155 0.000 2.346 2340 L HA 0.546 4.886 4.340 0.000 0.000 0.274 2340 L C -0.546 176.224 176.870 -0.167 0.000 1.007 2340 L CA -0.238 54.468 54.840 -0.224 0.000 0.818 2340 L CB 2.026 43.814 42.059 -0.450 0.000 1.284 2340 L HN 0.387 nan 8.230 nan 0.000 0.424 2341 S N 5.469 121.098 115.700 -0.117 0.000 2.594 2341 S HA 0.665 5.135 4.470 0.000 0.000 0.296 2341 S C -0.255 174.312 174.600 -0.055 0.000 1.124 2341 S CA -0.369 57.796 58.200 -0.060 0.000 1.011 2341 S CB 1.251 64.466 63.200 0.025 0.000 1.016 2341 S HN 0.615 nan 8.310 nan 0.000 0.485 2342 L N 1.825 123.015 121.223 -0.055 0.000 3.320 2342 L HA 0.259 4.599 4.340 0.000 0.000 0.331 2342 L C -0.065 176.798 176.870 -0.011 0.000 1.306 2342 L CA -0.177 54.652 54.840 -0.019 0.000 0.892 2342 L CB 0.781 42.825 42.059 -0.025 0.000 1.337 2342 L HN 0.473 nan 8.230 nan 0.000 0.604 2343 S N 0.550 116.259 115.700 0.015 0.000 2.549 2343 S HA 0.178 4.648 4.470 0.000 0.000 0.286 2343 S C 0.916 175.472 174.600 -0.073 0.000 1.314 2343 S CA -0.130 58.089 58.200 0.032 0.000 1.062 2343 S CB 0.487 63.787 63.200 0.166 0.000 0.865 2343 S HN 0.486 nan 8.310 nan 0.000 0.498 2344 R N -0.608 119.771 120.500 -0.203 0.000 3.758 2344 R HA -0.176 4.164 4.340 0.000 0.000 0.299 2344 R C -0.629 175.254 176.300 -0.694 0.000 1.182 2344 R CA 0.573 56.250 56.100 -0.706 0.000 0.809 2344 R CB -2.614 27.335 30.300 -0.585 0.000 1.249 2344 R HN 0.618 nan 8.270 nan 0.000 0.497 2345 C N 1.294 120.428 119.300 -0.278 0.000 2.518 2345 C HA 0.134 4.594 4.460 0.000 0.000 0.456 2345 C C 1.666 176.639 174.990 -0.029 0.000 1.016 2345 C CA -0.528 58.428 59.018 -0.104 0.000 1.210 2345 C CB -1.693 26.068 27.740 0.035 0.000 1.542 2345 C HN 0.398 nan 8.230 nan 0.000 0.545 2346 Y N -0.041 120.306 120.300 0.078 0.000 2.403 2346 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 2346 Y C 1.856 177.787 175.900 0.053 0.000 1.143 2346 Y CA 0.828 58.967 58.100 0.064 0.000 1.257 2346 Y CB 0.005 38.499 38.460 0.057 0.000 0.984 2346 Y HN 0.537 nan 8.280 nan 0.000 0.550 2347 D N 0.186 120.699 120.400 0.187 0.000 2.328 2347 D HA 0.105 4.745 4.640 0.000 0.000 0.226 2347 D C 0.055 176.398 176.300 0.072 0.000 1.066 2347 D CA 0.394 54.462 54.000 0.113 0.000 0.861 2347 D CB -0.060 40.790 40.800 0.084 0.000 0.912 2347 D HN 0.265 nan 8.370 nan 0.000 0.521 2348 I N 2.174 122.801 120.570 0.095 0.000 2.396 2348 I HA 0.017 4.187 4.170 0.000 0.000 0.289 2348 I C 0.376 176.544 176.117 0.085 0.000 1.056 2348 I CA -0.493 60.859 61.300 0.087 0.000 1.365 2348 I CB 0.951 39.059 38.000 0.179 0.000 1.407 2348 I HN -0.279 nan 8.210 nan 0.000 0.509 2349 I N 9.698 130.298 120.570 0.051 0.000 2.517 2349 I HA 0.098 4.268 4.170 0.000 0.000 0.285 2349 I C -1.225 174.936 176.117 0.072 0.000 1.106 2349 I CA -2.039 59.292 61.300 0.051 0.000 1.402 2349 I CB 0.413 38.428 38.000 0.025 0.000 1.399 2349 I HN 0.317 nan 8.210 nan 0.000 0.535 2350 P HA -0.198 nan 4.420 nan 0.000 0.216 2350 P C 1.403 178.743 177.300 0.066 0.000 1.154 2350 P CA 1.402 64.539 63.100 0.062 0.000 0.865 2350 P CB 0.321 32.046 31.700 0.041 0.000 0.789 2351 E N -0.996 119.239 120.200 0.057 0.000 2.130 2351 E HA -0.202 4.148 4.350 0.000 0.000 0.196 2351 E C 1.886 178.539 176.600 0.089 0.000 0.998 2351 E CA 2.000 58.435 56.400 0.058 0.000 0.806 2351 E CB -0.538 29.188 29.700 0.043 0.000 0.738 2351 E HN 0.403 nan 8.360 nan 0.000 0.459 2352 T N -1.034 113.588 114.554 0.113 0.000 3.007 2352 T HA -0.060 4.290 4.350 0.000 0.000 0.270 2352 T C 1.789 176.694 174.700 0.341 0.000 1.107 2352 T CA 0.433 62.639 62.100 0.177 0.000 1.118 2352 T CB -0.248 68.671 68.868 0.085 0.000 0.889 2352 T HN 0.088 nan 8.240 nan 0.000 0.506 2353 L N -0.173 121.209 121.223 0.266 0.000 2.353 2353 L HA 0.019 4.359 4.340 0.000 0.000 0.220 2353 L C 2.305 179.236 176.870 0.101 0.000 1.133 2353 L CA 0.181 55.132 54.840 0.184 0.000 0.798 2353 L CB -0.669 41.431 42.059 0.068 0.000 0.922 2353 L HN 0.233 nan 8.230 nan 0.000 0.445 2354 L N -0.026 121.268 121.223 0.118 0.000 2.127 2354 L HA -0.226 4.114 4.340 0.000 0.000 0.211 2354 L C 2.477 179.429 176.870 0.137 0.000 1.089 2354 L CA 1.615 56.514 54.840 0.099 0.000 0.757 2354 L CB -0.823 41.289 42.059 0.089 0.000 0.899 2354 L HN 0.314 nan 8.230 nan 0.000 0.434 2355 E N -0.659 119.667 120.200 0.210 0.000 2.097 2355 E HA -0.244 4.106 4.350 0.000 0.000 0.196 2355 E C 2.213 178.979 176.600 0.277 0.000 1.000 2355 E CA 1.204 57.781 56.400 0.295 0.000 0.804 2355 E CB -0.263 29.709 29.700 0.453 0.000 0.740 2355 E HN 0.457 nan 8.360 nan 0.000 0.454 2356 L N 0.168 121.439 121.223 0.079 0.000 2.265 2356 L HA -0.095 4.245 4.340 0.000 0.000 0.215 2356 L C 2.458 179.281 176.870 -0.079 0.000 1.117 2356 L CA 0.853 55.615 54.840 -0.130 0.000 0.782 2356 L CB -0.607 41.252 42.059 -0.334 0.000 0.914 2356 L HN 0.212 nan 8.230 nan 0.000 0.441 2357 G N -0.253 108.568 108.800 0.036 0.000 2.535 2357 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 2357 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 2357 G C 1.374 176.374 174.900 0.166 0.000 1.122 2357 G CA 0.291 45.486 45.100 0.159 0.000 0.769 2357 G HN 0.466 nan 8.290 nan 0.000 0.549 2358 E N -0.453 119.838 120.200 0.152 0.000 2.442 2358 E HA 0.136 4.486 4.350 0.000 0.000 0.195 2358 E C 0.358 177.019 176.600 0.102 0.000 1.030 2358 E CA -0.404 56.115 56.400 0.199 0.000 0.869 2358 E CB 0.256 30.192 29.700 0.393 0.000 0.857 2358 E HN 0.409 nan 8.360 nan 0.000 0.505 2359 I N 3.197 123.642 120.570 -0.210 0.000 2.578 2359 I HA -0.035 4.135 4.170 0.000 0.000 0.286 2359 I C -1.625 174.390 176.117 -0.170 0.000 1.126 2359 I CA -1.214 59.840 61.300 -0.411 0.000 1.380 2359 I CB 0.530 38.185 38.000 -0.574 0.000 1.408 2359 I HN -0.117 nan 8.210 nan 0.000 0.532 2360 P HA -0.123 nan 4.420 nan 0.000 0.220 2360 P C 1.248 178.493 177.300 -0.092 0.000 1.148 2360 P CA 1.125 64.174 63.100 -0.085 0.000 0.803 2360 P CB 0.034 31.696 31.700 -0.064 0.000 0.782 2361 T N -4.611 109.871 114.554 -0.121 0.000 3.060 2361 T HA 0.165 4.515 4.350 0.000 0.000 0.249 2361 T C 0.613 175.224 174.700 -0.149 0.000 1.079 2361 T CA -0.293 61.736 62.100 -0.118 0.000 1.013 2361 T CB -0.653 68.143 68.868 -0.120 0.000 0.975 2361 T HN -0.140 nan 8.240 nan 0.000 0.518 2362 L N 2.073 123.199 121.223 -0.163 0.000 2.490 2362 L HA 0.267 4.607 4.340 0.000 0.000 0.274 2362 L C 1.084 177.846 176.870 -0.181 0.000 1.201 2362 L CA 0.502 55.214 54.840 -0.213 0.000 0.869 2362 L CB 0.552 42.478 42.059 -0.221 0.000 1.123 2362 L HN -0.026 nan 8.230 nan 0.000 0.484 2363 K N 1.549 121.781 120.400 -0.281 0.000 2.403 2363 K HA 0.228 4.548 4.320 0.000 0.000 0.199 2363 K C 0.151 176.644 176.600 -0.179 0.000 1.199 2363 K CA 0.793 56.950 56.287 -0.217 0.000 0.924 2363 K CB 0.638 32.982 32.500 -0.259 0.000 1.137 2363 K HN 0.774 nan 8.250 nan 0.000 0.510 2364 T N -0.650 113.790 114.554 -0.191 0.000 2.903 2364 T HA 0.659 5.009 4.350 0.000 0.000 0.299 2364 T C -1.257 173.354 174.700 -0.147 0.000 1.093 2364 T CA -0.868 61.175 62.100 -0.096 0.000 1.002 2364 T CB 1.955 70.877 68.868 0.090 0.000 1.127 2364 T HN -0.045 nan 8.240 nan 0.000 0.488 2365 L N 1.547 122.670 121.223 -0.167 0.000 2.505 2365 L HA 0.582 4.922 4.340 0.000 0.000 0.266 2365 L C -1.600 175.141 176.870 -0.216 0.000 0.954 2365 L CA -0.428 54.290 54.840 -0.204 0.000 0.852 2365 L CB 2.318 44.230 42.059 -0.245 0.000 1.282 2365 L HN 0.697 nan 8.230 nan 0.000 0.403 2366 Q N 4.958 124.648 119.800 -0.183 0.000 2.325 2366 Q HA 0.574 4.914 4.340 0.000 0.000 0.262 2366 Q C -0.313 175.566 176.000 -0.202 0.000 0.968 2366 Q CA -0.374 55.300 55.803 -0.214 0.000 0.877 2366 Q CB 2.141 30.881 28.738 0.004 0.000 1.253 2366 Q HN 0.595 nan 8.270 nan 0.000 0.448 2367 V N -0.796 118.916 119.914 -0.336 0.000 2.724 2367 V HA 0.419 4.539 4.120 0.000 0.000 0.341 2367 V C -0.163 175.811 176.094 -0.200 0.000 1.254 2367 V CA -0.739 61.443 62.300 -0.198 0.000 1.261 2367 V CB -0.765 30.963 31.823 -0.158 0.000 1.445 2367 V HN 0.424 nan 8.190 nan 0.000 0.652 2368 F N 1.974 121.884 119.950 -0.067 0.000 2.553 2368 F HA 0.552 5.079 4.527 0.000 0.000 0.356 2368 F C 1.791 177.584 175.800 -0.011 0.000 1.142 2368 F CA 1.898 59.872 58.000 -0.043 0.000 1.322 2368 F CB 0.657 39.628 39.000 -0.048 0.000 1.126 2368 F HN 0.562 nan 8.300 nan 0.000 0.599 2369 G N 2.242 111.177 108.800 0.225 0.000 2.184 2369 G HA2 -0.335 3.625 3.960 0.000 0.000 0.264 2369 G HA3 -0.335 3.625 3.960 0.000 0.000 0.264 2369 G C 0.643 175.678 174.900 0.224 0.000 0.975 2369 G CA 0.569 45.800 45.100 0.218 0.000 0.642 2369 G HN 0.903 nan 8.290 nan 0.000 0.536 2370 I N -2.316 118.333 120.570 0.132 0.000 4.240 2370 I HA 0.578 4.748 4.170 0.000 0.000 0.331 2370 I C 0.042 176.210 176.117 0.085 0.000 1.381 2370 I CA -0.471 60.911 61.300 0.137 0.000 1.136 2370 I CB 0.858 38.917 38.000 0.098 0.000 1.137 2370 I HN -0.072 nan 8.210 nan 0.000 0.411 2371 V N 3.870 123.815 119.914 0.053 0.000 2.347 2371 V HA 0.443 4.563 4.120 0.000 0.000 0.280 2371 V C -2.101 174.015 176.094 0.038 0.000 1.021 2371 V CA -1.383 60.932 62.300 0.026 0.000 0.847 2371 V CB 0.678 32.490 31.823 -0.020 0.000 0.990 2371 V HN 0.120 nan 8.190 nan 0.000 0.444 2372 P HA 0.103 nan 4.420 nan 0.000 0.266 2372 P C -0.367 176.949 177.300 0.026 0.000 1.195 2372 P CA -0.219 62.902 63.100 0.034 0.000 0.768 2372 P CB 0.329 32.045 31.700 0.028 0.000 0.838 2373 D N 2.019 122.436 120.400 0.029 0.000 2.531 2373 D HA 0.189 4.829 4.640 0.000 0.000 0.239 2373 D C 1.568 177.878 176.300 0.017 0.000 1.144 2373 D CA 1.735 55.749 54.000 0.025 0.000 0.869 2373 D CB 0.140 40.955 40.800 0.026 0.000 1.160 2373 D HN 0.704 nan 8.370 nan 0.000 0.484 2374 G N 1.997 110.805 108.800 0.013 0.000 2.157 2374 G HA2 -0.302 3.658 3.960 0.000 0.000 0.239 2374 G HA3 -0.302 3.658 3.960 0.000 0.000 0.239 2374 G C 0.888 175.791 174.900 0.005 0.000 0.982 2374 G CA 0.722 45.827 45.100 0.009 0.000 0.650 2374 G HN 0.641 nan 8.290 nan 0.000 0.527 2375 T N -2.522 112.034 114.554 0.003 0.000 2.975 2375 T HA 0.385 4.735 4.350 0.000 0.000 0.257 2375 T C 2.083 176.776 174.700 -0.011 0.000 1.003 2375 T CA 0.995 63.094 62.100 -0.001 0.000 0.932 2375 T CB 0.195 69.066 68.868 0.004 0.000 1.087 2375 T HN 0.710 nan 8.240 nan 0.000 0.512 2376 L N 1.779 122.992 121.223 -0.017 0.000 2.043 2376 L HA -0.031 4.309 4.340 0.000 0.000 0.212 2376 L C 2.545 179.389 176.870 -0.042 0.000 1.075 2376 L CA 2.045 56.862 54.840 -0.039 0.000 0.752 2376 L CB -0.868 41.164 42.059 -0.045 0.000 0.891 2376 L HN 0.248 nan 8.230 nan 0.000 0.432 2377 Q N -0.826 118.957 119.800 -0.028 0.000 2.226 2377 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 2377 Q C 2.041 178.027 176.000 -0.025 0.000 0.975 2377 Q CA 1.558 57.344 55.803 -0.027 0.000 0.866 2377 Q CB -0.290 28.438 28.738 -0.016 0.000 0.915 2377 Q HN 0.647 nan 8.270 nan 0.000 0.440 2378 L N -0.810 120.402 121.223 -0.019 0.000 1.994 2378 L HA -0.177 4.163 4.340 0.000 0.000 0.208 2378 L C 2.143 179.001 176.870 -0.020 0.000 1.071 2378 L CA 0.845 55.676 54.840 -0.014 0.000 0.745 2378 L CB -0.773 41.282 42.059 -0.006 0.000 0.892 2378 L HN 0.290 nan 8.230 nan 0.000 0.431 2379 L N 0.289 121.494 121.223 -0.030 0.000 2.013 2379 L HA -0.244 4.096 4.340 0.000 0.000 0.212 2379 L C 2.580 179.414 176.870 -0.060 0.000 1.073 2379 L CA 1.894 56.708 54.840 -0.043 0.000 0.753 2379 L CB -0.567 41.457 42.059 -0.058 0.000 0.890 2379 L HN 0.116 nan 8.230 nan 0.000 0.432 2380 K N -0.751 119.608 120.400 -0.068 0.000 2.032 2380 K HA -0.167 4.153 4.320 0.000 0.000 0.209 2380 K C 1.925 178.490 176.600 -0.057 0.000 1.048 2380 K CA 1.632 57.872 56.287 -0.078 0.000 0.927 2380 K CB -0.235 32.222 32.500 -0.071 0.000 0.712 2380 K HN 0.352 nan 8.250 nan 0.000 0.441 2381 E N 0.318 120.498 120.200 -0.035 0.000 2.208 2381 E HA -0.093 4.257 4.350 0.000 0.000 0.193 2381 E C 1.893 178.489 176.600 -0.008 0.000 0.988 2381 E CA 0.779 57.168 56.400 -0.018 0.000 0.828 2381 E CB -0.063 29.631 29.700 -0.011 0.000 0.763 2381 E HN 0.307 nan 8.360 nan 0.000 0.478 2382 A N 0.700 123.514 122.820 -0.010 0.000 1.968 2382 A HA -0.026 4.294 4.320 0.000 0.000 0.217 2382 A C 1.501 179.095 177.584 0.017 0.000 1.169 2382 A CA 0.666 52.706 52.037 0.006 0.000 0.638 2382 A CB -0.057 18.946 19.000 0.005 0.000 0.812 2382 A HN 0.153 nan 8.150 nan 0.000 0.446 2383 L N 0.151 121.360 121.223 -0.024 0.000 2.637 2383 L HA 0.260 4.600 4.340 0.000 0.000 0.241 2383 L C -1.971 174.815 176.870 -0.139 0.000 1.398 2383 L CA -1.217 53.582 54.840 -0.068 0.000 0.895 2383 L CB 1.534 43.495 42.059 -0.163 0.000 1.183 2383 L HN 0.108 nan 8.230 nan 0.000 0.497 2384 P HA -0.120 nan 4.420 nan 0.000 0.241 2384 P C 1.040 178.336 177.300 -0.007 0.000 1.191 2384 P CA 0.990 64.081 63.100 -0.016 0.000 0.771 2384 P CB -0.094 31.621 31.700 0.025 0.000 0.929 2385 H N -1.273 117.772 119.070 -0.040 0.000 2.551 2385 H HA 0.216 4.772 4.556 0.000 0.000 0.266 2385 H C 0.380 175.672 175.328 -0.060 0.000 0.977 2385 H CA -0.073 55.948 56.048 -0.045 0.000 1.163 2385 H CB -0.485 29.250 29.762 -0.045 0.000 1.381 2385 H HN 0.135 nan 8.280 nan 0.000 0.581 2386 L N 1.315 122.263 121.223 -0.458 0.000 2.330 2386 L HA 0.320 4.660 4.340 0.000 0.000 0.271 2386 L C -0.204 176.543 176.870 -0.205 0.000 1.013 2386 L CA -1.087 53.536 54.840 -0.361 0.000 0.816 2386 L CB 2.268 44.049 42.059 -0.464 0.000 1.287 2386 L HN -0.003 nan 8.230 nan 0.000 0.435 2387 Q N 2.220 121.928 119.800 -0.153 0.000 2.331 2387 Q HA 0.550 4.890 4.340 0.000 0.000 0.257 2387 Q C -1.165 174.746 176.000 -0.149 0.000 0.957 2387 Q CA 0.097 55.831 55.803 -0.116 0.000 0.923 2387 Q CB 1.110 29.809 28.738 -0.065 0.000 1.212 2387 Q HN 0.389 nan 8.270 nan 0.000 0.443 2388 I N 3.585 124.053 120.570 -0.169 0.000 2.406 2388 I HA 0.320 4.490 4.170 0.000 0.000 0.290 2388 I C -0.256 175.688 176.117 -0.288 0.000 0.999 2388 I CA -0.916 60.248 61.300 -0.226 0.000 1.124 2388 I CB 1.677 39.546 38.000 -0.219 0.000 1.289 2388 I HN 0.689 nan 8.210 nan 0.000 0.441 2389 N N 2.878 121.317 118.700 -0.435 0.000 2.725 2389 N HA -0.185 4.555 4.740 0.000 0.000 0.249 2389 N C 0.311 175.612 175.510 -0.348 0.000 1.103 2389 N CA 0.749 53.352 53.050 -0.745 0.000 0.707 2389 N CB -1.587 36.315 38.487 -0.974 0.000 1.043 2389 N HN 0.682 nan 8.380 nan 0.000 0.553 2390 C N -1.218 117.966 119.300 -0.193 0.000 2.926 2390 C HA 0.271 4.731 4.460 0.000 0.000 0.272 2390 C C 0.798 175.746 174.990 -0.069 0.000 1.249 2390 C CA -0.094 58.868 59.018 -0.094 0.000 1.691 2390 C CB -0.260 27.449 27.740 -0.051 0.000 1.983 2390 C HN 0.407 nan 8.230 nan 0.000 0.615 2391 S N 0.285 115.940 115.700 -0.075 0.000 2.532 2391 S HA 0.227 4.697 4.470 0.000 0.000 0.256 2391 S C 0.100 174.629 174.600 -0.118 0.000 1.298 2391 S CA -0.328 57.846 58.200 -0.044 0.000 1.166 2391 S CB 0.096 63.301 63.200 0.009 0.000 1.022 2391 S HN 0.555 nan 8.310 nan 0.000 0.480 2392 H N 1.375 120.234 119.070 -0.352 0.000 2.457 2392 H HA 0.138 4.694 4.556 0.000 0.000 0.294 2392 H C -0.178 174.693 175.328 -0.761 0.000 1.064 2392 H CA 1.083 56.620 56.048 -0.851 0.000 1.330 2392 H CB 0.040 28.927 29.762 -1.457 0.000 1.395 2392 H HN 0.498 nan 8.280 nan 0.000 0.541 2393 F N -0.936 119.064 119.950 0.083 0.000 2.538 2393 F HA 0.326 4.853 4.527 -0.000 0.000 0.325 2393 F C 0.682 176.504 175.800 0.037 0.000 1.066 2393 F CA -1.263 56.757 58.000 0.033 0.000 0.946 2393 F CB 1.586 40.591 39.000 0.008 0.000 1.199 2393 F HN -0.251 nan 8.300 nan 0.000 0.473 2394 T N -0.145 114.546 114.554 0.229 0.000 2.889 2394 T HA 0.245 4.595 4.350 0.000 0.000 0.291 2394 T C 0.842 175.601 174.700 0.100 0.000 0.995 2394 T CA -0.148 62.038 62.100 0.143 0.000 1.092 2394 T CB 0.793 69.740 68.868 0.131 0.000 0.954 2394 T HN 0.846 nan 8.240 nan 0.000 0.506 2395 T N 2.077 116.663 114.554 0.053 0.000 3.054 2395 T HA 0.338 4.688 4.350 0.000 0.000 0.255 2395 T C 0.811 175.504 174.700 -0.011 0.000 1.035 2395 T CA -0.223 61.880 62.100 0.004 0.000 0.941 2395 T CB -0.339 68.516 68.868 -0.022 0.000 1.026 2395 T HN 0.571 nan 8.240 nan 0.000 0.533 2396 I N 2.462 123.034 120.570 0.003 0.000 2.581 2396 I HA 0.303 4.473 4.170 0.000 0.000 0.285 2396 I C 1.282 177.447 176.117 0.079 0.000 1.129 2396 I CA 0.254 61.558 61.300 0.007 0.000 1.397 2396 I CB 0.096 38.114 38.000 0.029 0.000 1.399 2396 I HN 0.443 nan 8.210 nan 0.000 0.537 2397 A N 5.007 127.906 122.820 0.132 0.000 2.816 2397 A HA -0.210 4.110 4.320 0.000 0.000 0.270 2397 A C 0.626 178.382 177.584 0.288 0.000 1.413 2397 A CA 0.786 52.983 52.037 0.266 0.000 0.866 2397 A CB -1.449 17.669 19.000 0.196 0.000 1.032 2397 A HN 0.703 nan 8.150 nan 0.000 0.642 2398 R N -0.650 119.923 120.500 0.122 0.000 2.221 2398 R HA 0.322 4.662 4.340 0.000 0.000 0.327 2398 R C -1.462 174.606 176.300 -0.387 0.000 1.033 2398 R CA -1.325 54.727 56.100 -0.079 0.000 0.887 2398 R CB 0.750 31.000 30.300 -0.084 0.000 1.057 2398 R HN 0.348 nan 8.270 nan 0.000 0.455 2399 P HA -0.044 nan 4.420 nan 0.000 0.219 2399 P C -0.183 176.612 177.300 -0.842 0.000 1.150 2399 P CA 1.014 63.097 63.100 -1.695 0.000 0.814 2399 P CB 0.494 31.160 31.700 -1.722 0.000 0.787 2400 T N 1.617 115.868 114.554 -0.504 0.000 3.031 2400 T HA 0.611 4.961 4.350 0.000 0.000 0.305 2400 T C -0.078 174.484 174.700 -0.231 0.000 0.985 2400 T CA -0.503 61.404 62.100 -0.322 0.000 1.008 2400 T CB 1.253 69.950 68.868 -0.285 0.000 1.005 2400 T HN 0.011 nan 8.240 nan 0.000 0.444 2401 I N -0.527 119.939 120.570 -0.174 0.000 2.865 2401 I HA 0.896 5.066 4.170 0.000 0.000 0.302 2401 I C 0.562 176.622 176.117 -0.096 0.000 1.140 2401 I CA -0.756 60.468 61.300 -0.128 0.000 1.021 2401 I CB 1.769 39.716 38.000 -0.088 0.000 1.233 2401 I HN 0.865 nan 8.210 nan 0.000 0.427 2402 G N 4.170 112.921 108.800 -0.082 0.000 2.598 2402 G HA2 -0.336 3.624 3.960 0.000 0.000 0.269 2402 G HA3 -0.336 3.624 3.960 0.000 0.000 0.269 2402 G C 0.259 175.128 174.900 -0.052 0.000 1.289 2402 G CA 0.364 45.435 45.100 -0.048 0.000 0.926 2402 G HN 2.111 nan 8.290 nan 0.000 0.567 2403 N N -0.016 118.666 118.700 -0.031 0.000 2.704 2403 N HA -0.316 4.424 4.740 0.000 0.000 0.259 2403 N C 1.118 176.604 175.510 -0.041 0.000 0.957 2403 N CA 2.276 55.308 53.050 -0.030 0.000 0.804 2403 N CB -0.996 37.474 38.487 -0.028 0.000 0.917 2403 N HN 1.262 nan 8.380 nan 0.000 0.545 2404 K N -1.424 118.949 120.400 -0.046 0.000 3.294 2404 K HA -0.355 3.965 4.320 0.000 0.000 0.269 2404 K C 1.370 177.934 176.600 -0.060 0.000 1.035 2404 K CA 2.493 58.747 56.287 -0.055 0.000 0.855 2404 K CB -0.304 32.171 32.500 -0.042 0.000 1.532 2404 K HN 0.785 nan 8.250 nan 0.000 0.441 2405 K N 0.870 121.236 120.400 -0.056 0.000 2.290 2405 K HA -0.047 4.273 4.320 0.000 0.000 0.225 2405 K C 0.153 176.709 176.600 -0.072 0.000 1.060 2405 K CA 0.440 56.691 56.287 -0.059 0.000 0.903 2405 K CB 0.176 32.647 32.500 -0.048 0.000 1.158 2405 K HN 0.079 nan 8.250 nan 0.000 0.460 2406 N N 1.973 120.632 118.700 -0.069 0.000 2.524 2406 N HA -0.179 4.561 4.740 0.000 0.000 0.299 2406 N C -0.809 174.645 175.510 -0.094 0.000 1.414 2406 N CA 0.735 53.737 53.050 -0.081 0.000 0.670 2406 N CB -0.161 38.272 38.487 -0.091 0.000 1.018 2406 N HN 0.484 nan 8.380 nan 0.000 0.488 2407 Q N 0.891 120.640 119.800 -0.086 0.000 2.159 2407 Q HA 0.158 4.498 4.340 0.000 0.000 0.217 2407 Q C -0.455 175.487 176.000 -0.096 0.000 0.818 2407 Q CA -0.132 55.616 55.803 -0.092 0.000 1.008 2407 Q CB 0.463 29.158 28.738 -0.073 0.000 1.148 2407 Q HN 0.626 nan 8.270 nan 0.000 0.491 2408 E N 1.234 121.374 120.200 -0.101 0.000 2.343 2408 E HA 0.275 4.625 4.350 0.000 0.000 0.269 2408 E C -0.766 175.745 176.600 -0.148 0.000 1.047 2408 E CA -0.274 56.068 56.400 -0.097 0.000 0.874 2408 E CB 1.727 31.381 29.700 -0.077 0.000 1.033 2408 E HN 0.151 nan 8.360 nan 0.000 0.409 2409 I N 3.219 123.718 120.570 -0.117 0.000 2.359 2409 I HA 0.112 4.282 4.170 0.000 0.000 0.284 2409 I C -0.583 175.537 176.117 0.005 0.000 1.018 2409 I CA -0.458 60.743 61.300 -0.166 0.000 1.173 2409 I CB 0.319 38.283 38.000 -0.061 0.000 1.326 2409 I HN 0.752 nan 8.210 nan 0.000 0.462 2410 W N 7.084 128.342 121.300 -0.070 0.000 6.840 2410 W HA -0.232 4.428 4.660 0.000 0.000 0.413 2410 W C 1.189 177.649 176.519 -0.098 0.000 1.605 2410 W CA 1.126 58.426 57.345 -0.075 0.000 1.122 2410 W CB -1.896 27.526 29.460 -0.063 0.000 2.811 2410 W HN 1.040 nan 8.180 nan 0.000 1.578 2411 G N -0.808 108.014 108.800 0.037 0.000 2.179 2411 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 2411 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 2411 G C 0.068 174.958 174.900 -0.016 0.000 0.977 2411 G CA 0.255 45.359 45.100 0.007 0.000 0.641 2411 G HN 0.374 nan 8.290 nan 0.000 0.533 2412 I N 0.945 121.501 120.570 -0.024 0.000 2.315 2412 I HA 0.378 4.548 4.170 0.000 0.000 0.291 2412 I C 0.432 176.530 176.117 -0.032 0.000 1.006 2412 I CA -0.899 60.377 61.300 -0.039 0.000 1.265 2412 I CB 1.455 39.413 38.000 -0.070 0.000 1.387 2412 I HN -0.022 nan 8.210 nan 0.000 0.475 2413 K N 5.892 126.274 120.400 -0.030 0.000 2.276 2413 K HA 0.294 4.614 4.320 0.000 0.000 0.283 2413 K C -1.141 175.445 176.600 -0.024 0.000 1.044 2413 K CA -0.159 56.109 56.287 -0.031 0.000 0.944 2413 K CB 0.605 33.086 32.500 -0.031 0.000 1.012 2413 K HN 0.590 nan 8.250 nan 0.000 0.472 2414 C N 5.355 124.641 119.300 -0.024 0.000 2.415 2414 C HA 0.325 4.785 4.460 0.000 0.000 0.369 2414 C C 1.816 176.785 174.990 -0.036 0.000 1.279 2414 C CA -0.603 58.406 59.018 -0.015 0.000 1.886 2414 C CB 0.366 28.106 27.740 -0.001 0.000 2.468 2414 C HN 1.010 nan 8.230 nan 0.000 0.553 2415 R N 2.054 122.525 120.500 -0.048 0.000 2.062 2415 R HA 0.099 4.439 4.340 0.000 0.000 0.229 2415 R C 0.104 176.338 176.300 -0.110 0.000 1.128 2415 R CA 0.982 57.035 56.100 -0.077 0.000 0.960 2415 R CB 0.018 30.265 30.300 -0.088 0.000 0.855 2415 R HN 0.680 nan 8.270 nan 0.000 0.432 2416 L N 1.576 122.716 121.223 -0.139 0.000 2.265 2416 L HA 0.266 4.606 4.340 0.000 0.000 0.288 2416 L C -0.065 176.757 176.870 -0.080 0.000 1.058 2416 L CA -0.183 54.551 54.840 -0.177 0.000 0.809 2416 L CB 1.653 43.502 42.059 -0.350 0.000 1.179 2416 L HN 0.105 nan 8.230 nan 0.000 0.429 2417 T N 2.675 117.189 114.554 -0.068 0.000 2.821 2417 T HA 0.462 4.812 4.350 0.000 0.000 0.306 2417 T C 0.171 174.856 174.700 -0.025 0.000 1.313 2417 T CA -0.530 61.551 62.100 -0.031 0.000 1.012 2417 T CB 1.302 70.148 68.868 -0.037 0.000 1.298 2417 T HN 0.467 nan 8.240 nan 0.000 0.502 2418 L N 2.017 123.235 121.223 -0.008 0.000 2.700 2418 L HA 0.355 4.695 4.340 0.000 0.000 0.234 2418 L C 0.875 177.737 176.870 -0.012 0.000 1.156 2418 L CA -0.135 54.703 54.840 -0.004 0.000 0.946 2418 L CB -0.102 41.966 42.059 0.014 0.000 1.216 2418 L HN 0.727 nan 8.230 nan 0.000 0.493 2419 Q N 0.000 119.787 119.800 -0.022 0.000 2.315 2419 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 2419 Q CA 0.000 55.787 55.803 -0.026 0.000 1.022 2419 Q CB 0.000 28.723 28.738 -0.025 0.000 1.108 2419 Q HN 0.000 nan 8.270 nan 0.000 0.481