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 2cml_1_C DATA FIRST_RESID 2088 DATA SEQUENCE RTFLNLTKPL cEVNSWHILS KDNAIRIGED AHILVTREPY LScDPQGcRM DATA SEQUENCE FALSQGTTLR GRHANGTIHD RSPFRALISW EMGQAPSPYN TRVEcIGWSS DATA SEQUENCE TScHDGMSRM SIcMSGPNNN ASAVVWYGGR PITEIPSWAG NILRTQESEc DATA SEQUENCE VcHKGVcPVV MTDGPANNRA ATKIIYFKEG KIQKIEELAG NAQHIEEcSc DATA SEQUENCE YGAGGVIKcI cRDNWKGANR PVITIDPEMM THTSKYLcSK VLTDTSRPND DATA SEQUENCE PTNGNcDAPI TGGSPDPGVK GFAFLDGENS WLGRTISKDS RSGYEMLKVP DATA SEQUENCE NAETDIQSGP ISNQVIVNNQ NWSGYSGAFI DYWANKEcFN PcFYVELIRG DATA SEQUENCE RPKESSVLWT SNSIVALcGS KKRLGSWSWH DGAEIIYFE 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 2088 R HA 0.000 nan 4.340 nan 0.000 0.208 2088 R C 0.000 176.302 176.300 0.003 0.000 0.893 2088 R CA 0.000 56.123 56.100 0.039 0.000 0.921 2088 R CB 0.000 30.314 30.300 0.023 0.000 0.687 2089 T N -1.158 113.426 114.554 0.050 0.000 2.887 2089 T HA 0.550 4.900 4.350 0.000 0.000 0.292 2089 T C 0.151 174.922 174.700 0.118 0.000 1.087 2089 T CA -0.856 61.235 62.100 -0.014 0.000 1.009 2089 T CB 1.062 69.954 68.868 0.040 0.000 1.203 2089 T HN 0.243 nan 8.240 nan 0.000 0.518 2090 F N 1.336 121.370 119.950 0.140 0.000 2.612 2090 F HA 0.140 4.667 4.527 0.000 0.000 0.389 2090 F C 1.029 176.916 175.800 0.145 0.000 1.055 2090 F CA -1.018 57.064 58.000 0.137 0.000 1.232 2090 F CB 0.268 39.304 39.000 0.060 0.000 1.044 2090 F HN 0.411 nan 8.300 nan 0.000 0.560 2091 L N 5.785 127.260 121.223 0.419 0.000 2.540 2091 L HA 0.079 4.419 4.340 0.000 0.000 0.276 2091 L C -0.583 176.343 176.870 0.093 0.000 1.212 2091 L CA 0.240 55.208 54.840 0.212 0.000 0.893 2091 L CB 0.003 42.124 42.059 0.104 0.000 1.138 2091 L HN 0.456 nan 8.230 nan 0.000 0.491 2092 N N 5.262 124.022 118.700 0.100 0.000 2.346 2092 N HA 0.335 5.075 4.740 0.000 0.000 0.289 2092 N C -0.802 174.904 175.510 0.327 0.000 1.027 2092 N CA -0.381 52.753 53.050 0.140 0.000 0.864 2092 N CB 1.842 40.390 38.487 0.101 0.000 1.370 2092 N HN 0.615 nan 8.380 nan 0.000 0.481 2093 L N 1.610 123.144 121.223 0.519 0.000 2.533 2093 L HA 0.122 4.462 4.340 0.000 0.000 0.239 2093 L C 1.569 178.688 176.870 0.415 0.000 1.376 2093 L CA -0.020 55.094 54.840 0.457 0.000 1.240 2093 L CB -0.905 41.266 42.059 0.187 0.000 1.487 2093 L HN 0.618 nan 8.230 nan 0.000 0.419 2094 T N -3.767 110.981 114.554 0.324 0.000 3.100 2094 T HA 0.104 4.454 4.350 0.000 0.000 0.253 2094 T C 0.775 175.421 174.700 -0.091 0.000 1.118 2094 T CA 0.090 62.255 62.100 0.110 0.000 1.058 2094 T CB 0.103 69.026 68.868 0.092 0.000 0.953 2094 T HN 0.278 nan 8.240 nan 0.000 0.515 2095 K N 2.042 122.200 120.400 -0.403 0.000 2.208 2095 K HA 0.535 4.855 4.320 0.000 0.000 0.247 2095 K C -2.876 173.449 176.600 -0.459 0.000 0.953 2095 K CA -2.629 53.253 56.287 -0.674 0.000 0.837 2095 K CB 1.747 33.467 32.500 -1.300 0.000 1.131 2095 K HN 0.031 nan 8.250 nan 0.000 0.431 2096 P HA 0.172 nan 4.420 nan 0.000 0.278 2096 P C -0.531 176.757 177.300 -0.020 0.000 1.266 2096 P CA -0.519 62.543 63.100 -0.063 0.000 0.807 2096 P CB 0.631 32.306 31.700 -0.041 0.000 1.094 2097 L N 0.629 121.910 121.223 0.097 0.000 2.416 2097 L HA 0.117 4.457 4.340 0.000 0.000 0.272 2097 L C 0.618 177.485 176.870 -0.003 0.000 1.161 2097 L CA -0.401 54.489 54.840 0.083 0.000 0.845 2097 L CB 0.173 42.289 42.059 0.095 0.000 1.119 2097 L HN 0.417 nan 8.230 nan 0.000 0.464 2098 c N 2.455 121.024 118.600 -0.051 0.000 2.679 2098 c HA -0.001 4.569 4.570 0.000 0.000 0.417 2098 c C 0.917 174.959 174.090 -0.080 0.000 1.302 2098 c CA -0.579 55.703 56.329 -0.078 0.000 1.973 2098 c CB -0.267 42.176 42.510 -0.111 0.000 2.715 2098 c HN 0.741 nan 8.230 nan 0.000 0.628 2099 E N 1.305 121.471 120.200 -0.056 0.000 2.465 2099 E HA 0.229 4.579 4.350 0.000 0.000 0.260 2099 E C -1.073 175.472 176.600 -0.092 0.000 0.980 2099 E CA 0.119 56.496 56.400 -0.038 0.000 0.927 2099 E CB 0.466 30.154 29.700 -0.021 0.000 0.934 2099 E HN 0.521 nan 8.360 nan 0.000 0.459 2100 V N 5.516 125.396 119.914 -0.057 0.000 2.531 2100 V HA 0.215 4.335 4.120 0.000 0.000 0.301 2100 V C 0.117 176.270 176.094 0.099 0.000 1.034 2100 V CA -0.850 61.329 62.300 -0.203 0.000 0.865 2100 V CB 1.707 33.171 31.823 -0.598 0.000 0.995 2100 V HN 0.757 nan 8.190 nan 0.000 0.424 2101 N N 1.629 120.317 118.700 -0.019 0.000 2.210 2101 N HA 0.207 4.947 4.740 0.000 0.000 0.203 2101 N C 0.164 175.763 175.510 0.147 0.000 1.175 2101 N CA 0.216 53.369 53.050 0.172 0.000 0.894 2101 N CB 1.582 40.116 38.487 0.079 0.000 1.041 2101 N HN 0.600 nan 8.380 nan 0.000 0.506 2102 S N -0.766 114.789 115.700 -0.242 0.000 2.587 2102 S HA 0.522 4.992 4.470 0.000 0.000 0.269 2102 S C -2.231 172.001 174.600 -0.612 0.000 1.154 2102 S CA -0.632 57.441 58.200 -0.211 0.000 0.824 2102 S CB 0.538 63.716 63.200 -0.036 0.000 1.118 2102 S HN 0.142 nan 8.310 nan 0.000 0.462 2103 W N 2.798 124.061 121.300 -0.061 0.000 2.532 2103 W HA 0.486 5.146 4.660 0.000 0.000 0.321 2103 W C -0.044 176.488 176.519 0.021 0.000 1.037 2103 W CA -0.458 56.845 57.345 -0.069 0.000 1.220 2103 W CB 0.883 30.350 29.460 0.012 0.000 1.361 2103 W HN 0.820 nan 8.180 nan 0.000 0.468 2104 H N 1.075 120.220 119.070 0.125 0.000 2.463 2104 H HA 0.541 5.097 4.556 0.000 0.000 0.332 2104 H C -0.349 174.983 175.328 0.006 0.000 1.127 2104 H CA -1.212 54.882 56.048 0.077 0.000 1.238 2104 H CB 1.084 30.852 29.762 0.010 0.000 1.478 2104 H HN 0.374 nan 8.280 nan 0.000 0.499 2105 I N 3.989 124.604 120.570 0.075 0.000 2.741 2105 I HA -0.091 4.079 4.170 0.000 0.000 0.288 2105 I C 0.323 176.415 176.117 -0.043 0.000 1.192 2105 I CA 0.224 61.396 61.300 -0.214 0.000 1.426 2105 I CB -0.077 37.651 38.000 -0.453 0.000 1.367 2105 I HN 0.851 nan 8.210 nan 0.000 0.563 2106 L N 5.819 126.912 121.223 -0.217 0.000 2.435 2106 L HA 0.426 4.766 4.340 0.000 0.000 0.195 2106 L C 0.525 177.351 176.870 -0.073 0.000 1.072 2106 L CA 0.846 55.644 54.840 -0.070 0.000 0.833 2106 L CB 0.032 42.038 42.059 -0.088 0.000 1.081 2106 L HN 0.653 nan 8.230 nan 0.000 0.485 2107 S N -0.989 114.621 115.700 -0.151 0.000 2.567 2107 S HA 0.541 5.011 4.470 0.000 0.000 0.270 2107 S C -1.594 172.917 174.600 -0.149 0.000 1.152 2107 S CA -0.783 57.350 58.200 -0.112 0.000 0.835 2107 S CB 1.091 64.248 63.200 -0.071 0.000 1.115 2107 S HN 0.148 nan 8.310 nan 0.000 0.459 2108 K N 1.615 121.972 120.400 -0.071 0.000 2.571 2108 K HA 0.286 4.606 4.320 0.000 0.000 0.252 2108 K C -0.926 175.699 176.600 0.042 0.000 0.956 2108 K CA -0.448 55.826 56.287 -0.023 0.000 0.822 2108 K CB 0.996 33.490 32.500 -0.010 0.000 1.286 2108 K HN 0.681 nan 8.250 nan 0.000 0.439 2109 D N 3.004 123.448 120.400 0.074 0.000 2.367 2109 D HA -0.053 4.588 4.640 0.000 0.000 0.207 2109 D C -0.290 176.055 176.300 0.076 0.000 1.034 2109 D CA 0.121 54.181 54.000 0.099 0.000 0.861 2109 D CB 0.024 40.934 40.800 0.183 0.000 0.943 2109 D HN 0.641 nan 8.370 nan 0.000 0.515 2110 N N 0.560 119.309 118.700 0.082 0.000 2.708 2110 N HA -0.234 4.506 4.740 0.000 0.000 0.251 2110 N C 0.987 176.531 175.510 0.057 0.000 1.017 2110 N CA 0.720 53.818 53.050 0.081 0.000 0.742 2110 N CB -0.993 37.543 38.487 0.082 0.000 0.943 2110 N HN 0.477 nan 8.380 nan 0.000 0.539 2111 A N 0.065 122.907 122.820 0.037 0.000 1.969 2111 A HA -0.102 4.218 4.320 0.000 0.000 0.218 2111 A C 2.194 179.766 177.584 -0.019 0.000 1.169 2111 A CA 0.891 52.913 52.037 -0.025 0.000 0.635 2111 A CB 0.026 18.984 19.000 -0.070 0.000 0.810 2111 A HN 0.340 nan 8.150 nan 0.000 0.445 2112 I N -0.489 120.100 120.570 0.033 0.000 2.233 2112 I HA -0.134 4.036 4.170 0.000 0.000 0.243 2112 I C 2.524 178.769 176.117 0.213 0.000 1.093 2112 I CA 1.181 62.520 61.300 0.065 0.000 1.380 2112 I CB -1.427 36.621 38.000 0.079 0.000 1.067 2112 I HN 0.333 nan 8.210 nan 0.000 0.413 2113 R N 0.801 121.414 120.500 0.188 0.000 2.094 2113 R HA -0.158 4.182 4.340 0.000 0.000 0.239 2113 R C 2.381 178.744 176.300 0.104 0.000 1.137 2113 R CA 1.582 57.791 56.100 0.181 0.000 0.943 2113 R CB -0.424 29.960 30.300 0.139 0.000 0.850 2113 R HN 0.281 nan 8.270 nan 0.000 0.433 2114 I N -0.208 120.395 120.570 0.055 0.000 2.226 2114 I HA -0.183 3.987 4.170 0.000 0.000 0.245 2114 I C 2.401 178.503 176.117 -0.025 0.000 1.100 2114 I CA 1.516 62.816 61.300 0.001 0.000 1.374 2114 I CB -0.553 37.437 38.000 -0.017 0.000 1.057 2114 I HN 0.354 nan 8.210 nan 0.000 0.413 2115 G N -0.099 108.692 108.800 -0.016 0.000 2.625 2115 G HA2 -0.220 3.740 3.960 0.000 0.000 0.214 2115 G HA3 -0.220 3.740 3.960 0.000 0.000 0.214 2115 G C 1.514 176.433 174.900 0.031 0.000 1.132 2115 G CA 0.157 45.230 45.100 -0.045 0.000 0.782 2115 G HN 0.322 nan 8.290 nan 0.000 0.538 2116 E N 0.624 120.883 120.200 0.098 0.000 2.204 2116 E HA -0.136 4.214 4.350 0.000 0.000 0.195 2116 E C 1.475 177.976 176.600 -0.166 0.000 0.990 2116 E CA 1.561 57.907 56.400 -0.090 0.000 0.821 2116 E CB 0.120 29.634 29.700 -0.310 0.000 0.750 2116 E HN 0.529 nan 8.360 nan 0.000 0.477 2117 D N -1.570 118.745 120.400 -0.142 0.000 2.409 2117 D HA 0.215 4.855 4.640 0.000 0.000 0.301 2117 D C -0.076 176.070 176.300 -0.257 0.000 1.095 2117 D CA 0.544 54.436 54.000 -0.181 0.000 0.929 2117 D CB 0.440 41.143 40.800 -0.161 0.000 1.623 2117 D HN 0.138 nan 8.370 nan 0.000 0.506 2118 A N -0.232 122.456 122.820 -0.219 0.000 2.264 2118 A HA 0.511 4.831 4.320 0.000 0.000 0.304 2118 A C -0.947 176.469 177.584 -0.279 0.000 1.100 2118 A CA -0.313 51.567 52.037 -0.261 0.000 0.839 2118 A CB 0.232 19.159 19.000 -0.121 0.000 1.121 2118 A HN 0.402 nan 8.150 nan 0.000 0.496 2119 H N 0.952 119.992 119.070 -0.050 0.000 2.882 2119 H HA 0.297 4.853 4.556 0.000 0.000 0.258 2119 H C -0.468 174.721 175.328 -0.232 0.000 1.579 2119 H CA -0.216 55.758 56.048 -0.123 0.000 1.340 2119 H CB -0.210 29.487 29.762 -0.108 0.000 1.645 2119 H HN 0.296 nan 8.280 nan 0.000 0.541 2120 I N 3.293 123.780 120.570 -0.139 0.000 2.353 2120 I HA 0.093 4.263 4.170 0.000 0.000 0.293 2120 I C 0.485 176.458 176.117 -0.240 0.000 0.992 2120 I CA -0.723 60.443 61.300 -0.223 0.000 1.268 2120 I CB 1.139 39.011 38.000 -0.214 0.000 1.387 2120 I HN 0.456 nan 8.210 nan 0.000 0.478 2121 L N 5.720 126.766 121.223 -0.294 0.000 2.499 2121 L HA 0.110 4.450 4.340 0.000 0.000 0.273 2121 L C 0.174 176.903 176.870 -0.236 0.000 1.195 2121 L CA -0.232 54.453 54.840 -0.258 0.000 0.882 2121 L CB 0.483 42.372 42.059 -0.284 0.000 1.133 2121 L HN 0.258 nan 8.230 nan 0.000 0.483 2122 V N 2.859 122.662 119.914 -0.184 0.000 2.637 2122 V HA 0.247 4.367 4.120 0.000 0.000 0.296 2122 V C 0.635 176.671 176.094 -0.097 0.000 1.046 2122 V CA 0.043 62.251 62.300 -0.153 0.000 1.066 2122 V CB 1.005 32.763 31.823 -0.108 0.000 0.968 2122 V HN 1.006 nan 8.190 nan 0.000 0.483 2123 T N 3.482 117.994 114.554 -0.069 0.000 2.804 2123 T HA 0.812 5.162 4.350 0.000 0.000 0.290 2123 T C -0.611 174.094 174.700 0.009 0.000 1.099 2123 T CA -1.040 61.047 62.100 -0.021 0.000 1.011 2123 T CB 2.625 71.484 68.868 -0.015 0.000 1.291 2123 T HN 0.581 nan 8.240 nan 0.000 0.523 2124 R N -0.640 119.875 120.500 0.026 0.000 2.756 2124 R HA 0.428 4.768 4.340 0.000 0.000 0.273 2124 R C -1.290 175.031 176.300 0.035 0.000 1.030 2124 R CA -0.794 55.310 56.100 0.006 0.000 0.887 2124 R CB 1.149 31.424 30.300 -0.042 0.000 1.274 2124 R HN 0.902 nan 8.270 nan 0.000 0.461 2125 E N 0.028 120.230 120.200 0.003 0.000 2.271 2125 E HA -0.143 4.207 4.350 0.000 0.000 0.223 2125 E C -2.504 174.225 176.600 0.215 0.000 1.223 2125 E CA 0.534 57.014 56.400 0.133 0.000 0.704 2125 E CB -1.203 28.601 29.700 0.174 0.000 1.194 2125 E HN 0.270 nan 8.360 nan 0.000 0.375 2126 P HA 0.326 nan 4.420 nan 0.000 0.276 2126 P C -0.483 176.647 177.300 -0.283 0.000 1.261 2126 P CA -0.147 62.913 63.100 -0.066 0.000 0.800 2126 P CB 0.676 32.326 31.700 -0.084 0.000 1.066 2127 Y N -2.492 117.407 120.300 -0.670 0.000 2.895 2127 Y HA 0.612 5.162 4.550 0.000 0.000 0.339 2127 Y C -1.869 173.609 175.900 -0.703 0.000 1.363 2127 Y CA -1.329 56.097 58.100 -1.124 0.000 1.085 2127 Y CB 0.300 38.444 38.460 -0.527 0.000 1.500 2127 Y HN 0.096 nan 8.280 nan 0.000 0.442 2128 L N 1.511 122.426 121.223 -0.513 0.000 2.354 2128 L HA 0.798 5.139 4.340 0.000 0.000 0.264 2128 L C -0.714 175.909 176.870 -0.412 0.000 1.008 2128 L CA -0.959 53.484 54.840 -0.662 0.000 0.819 2128 L CB 2.016 43.257 42.059 -1.364 0.000 1.339 2128 L HN 0.823 nan 8.230 nan 0.000 0.420 2129 S N 0.131 115.682 115.700 -0.248 0.000 2.536 2129 S HA 0.614 5.084 4.470 0.000 0.000 0.271 2129 S C -0.979 173.672 174.600 0.085 0.000 1.134 2129 S CA -0.371 57.782 58.200 -0.078 0.000 0.897 2129 S CB 1.384 64.346 63.200 -0.397 0.000 1.094 2129 S HN 0.660 nan 8.310 nan 0.000 0.473 2130 c N 2.827 121.564 118.600 0.228 0.000 2.401 2130 c HA 0.938 5.508 4.570 0.000 0.000 0.356 2130 c C -0.203 173.826 174.090 -0.101 0.000 1.192 2130 c CA -0.409 56.031 56.329 0.184 0.000 2.028 2130 c CB 0.895 43.642 42.510 0.394 0.000 2.344 2130 c HN 1.035 nan 8.230 nan 0.000 0.525 2131 D N -1.016 119.044 120.400 -0.567 0.000 2.744 2131 D HA 0.416 5.056 4.640 0.000 0.000 0.304 2131 D C -2.613 172.870 176.300 -1.361 0.000 1.179 2131 D CA -1.086 52.018 54.000 -1.494 0.000 1.024 2131 D CB 0.017 40.039 40.800 -1.297 0.000 1.453 2131 D HN 0.082 nan 8.370 nan 0.000 0.529 2132 P HA -0.115 nan 4.420 nan 0.000 0.222 2132 P C 0.793 177.917 177.300 -0.294 0.000 1.142 2132 P CA 1.374 64.045 63.100 -0.716 0.000 0.788 2132 P CB 0.244 31.661 31.700 -0.472 0.000 0.767 2133 Q N -1.698 117.913 119.800 -0.315 0.000 2.423 2133 Q HA 0.377 4.717 4.340 0.000 0.000 0.231 2133 Q C 1.090 177.023 176.000 -0.113 0.000 0.894 2133 Q CA 0.788 56.489 55.803 -0.169 0.000 0.938 2133 Q CB 0.505 29.143 28.738 -0.167 0.000 1.079 2133 Q HN 0.197 nan 8.270 nan 0.000 0.552 2134 G N -1.857 106.864 108.800 -0.133 0.000 2.325 2134 G HA2 0.354 4.314 3.960 0.000 0.000 0.295 2134 G HA3 0.354 4.314 3.960 0.000 0.000 0.295 2134 G C -1.503 173.360 174.900 -0.061 0.000 1.274 2134 G CA -0.505 44.556 45.100 -0.064 0.000 0.857 2134 G HN 0.021 nan 8.290 nan 0.000 0.499 2135 c N -0.031 118.547 118.600 -0.037 0.000 2.456 2135 c HA 0.887 5.457 4.570 0.000 0.000 0.325 2135 c C 0.387 174.403 174.090 -0.123 0.000 1.217 2135 c CA -0.709 55.594 56.329 -0.042 0.000 1.687 2135 c CB 1.034 43.545 42.510 0.001 0.000 2.270 2135 c HN 0.746 nan 8.230 nan 0.000 0.499 2136 R N 1.559 121.976 120.500 -0.139 0.000 2.832 2136 R HA 0.720 5.060 4.340 0.000 0.000 0.271 2136 R C -0.775 175.263 176.300 -0.436 0.000 0.996 2136 R CA -0.606 55.302 56.100 -0.320 0.000 0.977 2136 R CB 1.308 31.377 30.300 -0.386 0.000 1.168 2136 R HN 0.622 nan 8.270 nan 0.000 0.482 2137 M N 1.384 120.435 119.600 -0.914 0.000 2.342 2137 M HA 0.437 4.917 4.480 0.000 0.000 0.332 2137 M C -1.060 174.341 176.300 -1.498 0.000 1.166 2137 M CA -0.100 54.495 55.300 -1.176 0.000 1.086 2137 M CB 0.846 32.488 32.600 -1.597 0.000 1.541 2137 M HN 0.324 nan 8.290 nan 0.000 0.462 2138 F N 0.559 119.741 119.950 -1.279 0.000 2.588 2138 F HA 0.829 5.356 4.527 0.000 0.000 0.310 2138 F C -0.220 175.170 175.800 -0.684 0.000 1.082 2138 F CA -0.766 56.628 58.000 -1.010 0.000 0.929 2138 F CB 2.060 40.161 39.000 -1.499 0.000 1.254 2138 F HN 0.633 nan 8.300 nan 0.000 0.455 2139 A N 1.868 124.655 122.820 -0.055 0.000 2.610 2139 A HA 0.774 5.094 4.320 0.000 0.000 0.291 2139 A C -2.012 175.639 177.584 0.111 0.000 1.086 2139 A CA -0.793 51.300 52.037 0.095 0.000 0.677 2139 A CB 1.305 20.461 19.000 0.260 0.000 1.278 2139 A HN 0.690 nan 8.150 nan 0.000 0.414 2140 L N 2.020 123.312 121.223 0.115 0.000 2.295 2140 L HA 0.374 4.714 4.340 0.000 0.000 0.288 2140 L C 0.977 177.879 176.870 0.054 0.000 1.079 2140 L CA -0.250 54.645 54.840 0.092 0.000 0.830 2140 L CB 1.137 43.266 42.059 0.117 0.000 1.200 2140 L HN 0.742 nan 8.230 nan 0.000 0.438 2141 S N 2.042 117.757 115.700 0.025 0.000 2.579 2141 S HA 0.049 4.519 4.470 0.000 0.000 0.275 2141 S C 0.865 175.476 174.600 0.018 0.000 1.345 2141 S CA -0.306 57.888 58.200 -0.011 0.000 1.031 2141 S CB 0.797 63.970 63.200 -0.045 0.000 0.892 2141 S HN 0.630 nan 8.310 nan 0.000 0.529 2142 Q N 1.902 121.709 119.800 0.012 0.000 2.280 2142 Q HA 0.173 4.513 4.340 0.000 0.000 0.201 2142 Q C 1.136 177.183 176.000 0.078 0.000 0.890 2142 Q CA 0.548 56.387 55.803 0.060 0.000 0.947 2142 Q CB 0.395 29.169 28.738 0.060 0.000 1.081 2142 Q HN 1.150 nan 8.270 nan 0.000 0.502 2143 G N 2.038 110.853 108.800 0.026 0.000 2.273 2143 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 2143 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 2143 G C 0.028 174.891 174.900 -0.062 0.000 1.047 2143 G CA 1.049 46.148 45.100 -0.002 0.000 0.869 2143 G HN 0.347 nan 8.290 nan 0.000 0.502 2144 T N -1.274 113.241 114.554 -0.064 0.000 2.893 2144 T HA 0.662 5.012 4.350 0.000 0.000 0.337 2144 T C 0.240 174.892 174.700 -0.080 0.000 1.587 2144 T CA 0.892 62.955 62.100 -0.061 0.000 1.066 2144 T CB 1.166 70.039 68.868 0.008 0.000 1.414 2144 T HN 1.387 nan 8.240 nan 0.000 0.488 2145 T N 1.798 116.306 114.554 -0.077 0.000 2.874 2145 T HA 0.473 4.823 4.350 0.000 0.000 0.281 2145 T C 1.457 176.081 174.700 -0.127 0.000 0.994 2145 T CA -0.569 61.465 62.100 -0.110 0.000 1.015 2145 T CB 0.985 69.808 68.868 -0.075 0.000 1.028 2145 T HN 0.513 nan 8.240 nan 0.000 0.523 2146 L N 0.415 121.517 121.223 -0.200 0.000 2.083 2146 L HA 0.117 4.457 4.340 0.000 0.000 0.209 2146 L C 2.486 179.188 176.870 -0.281 0.000 1.083 2146 L CA 1.548 56.174 54.840 -0.356 0.000 0.752 2146 L CB -0.447 41.339 42.059 -0.455 0.000 0.899 2146 L HN 0.543 nan 8.230 nan 0.000 0.433 2147 R N 0.252 120.692 120.500 -0.100 0.000 2.297 2147 R HA 0.253 4.593 4.340 0.000 0.000 0.197 2147 R C 0.705 177.018 176.300 0.021 0.000 0.943 2147 R CA 0.502 56.601 56.100 -0.002 0.000 1.038 2147 R CB -0.795 29.512 30.300 0.010 0.000 0.957 2147 R HN 0.418 nan 8.270 nan 0.000 0.484 2148 G N 0.133 108.938 108.800 0.008 0.000 2.491 2148 G HA2 0.012 3.972 3.960 0.000 0.000 0.242 2148 G HA3 0.012 3.972 3.960 0.000 0.000 0.242 2148 G C 0.634 175.548 174.900 0.023 0.000 1.266 2148 G CA -0.456 44.664 45.100 0.035 0.000 0.844 2148 G HN 0.166 nan 8.290 nan 0.000 0.571 2149 R N -0.266 120.216 120.500 -0.029 0.000 2.152 2149 R HA -0.070 4.270 4.340 0.000 0.000 0.232 2149 R C 1.638 177.847 176.300 -0.150 0.000 1.117 2149 R CA 1.023 57.062 56.100 -0.102 0.000 0.981 2149 R CB -0.080 30.113 30.300 -0.179 0.000 0.870 2149 R HN 0.666 nan 8.270 nan 0.000 0.451 2150 H N -0.543 118.524 119.070 -0.005 0.000 2.563 2150 H HA 0.099 4.655 4.556 0.000 0.000 0.272 2150 H C 1.596 176.933 175.328 0.015 0.000 1.005 2150 H CA 0.756 56.795 56.048 -0.015 0.000 1.171 2150 H CB 0.224 29.947 29.762 -0.065 0.000 1.351 2150 H HN 0.272 nan 8.280 nan 0.000 0.602 2151 A N 1.296 124.180 122.820 0.107 0.000 2.066 2151 A HA -0.127 4.193 4.320 0.000 0.000 0.218 2151 A C 1.376 179.069 177.584 0.182 0.000 1.157 2151 A CA 0.096 52.200 52.037 0.113 0.000 0.670 2151 A CB -0.379 18.642 19.000 0.036 0.000 0.804 2151 A HN 0.233 nan 8.150 nan 0.000 0.453 2152 N N 0.385 119.170 118.700 0.142 0.000 2.438 2152 N HA 0.324 5.064 4.740 0.000 0.000 0.267 2152 N C 0.882 176.454 175.510 0.104 0.000 1.222 2152 N CA 1.354 54.475 53.050 0.119 0.000 0.930 2152 N CB 0.127 38.651 38.487 0.061 0.000 1.083 2152 N HN 0.642 nan 8.380 nan 0.000 0.476 2153 G N 2.139 110.997 108.800 0.097 0.000 2.176 2153 G HA2 -0.279 3.681 3.960 0.000 0.000 0.232 2153 G HA3 -0.279 3.681 3.960 0.000 0.000 0.232 2153 G C 0.728 175.709 174.900 0.134 0.000 0.986 2153 G CA 0.496 45.651 45.100 0.092 0.000 0.643 2153 G HN 0.794 nan 8.290 nan 0.000 0.522 2154 T N -0.911 113.731 114.554 0.147 0.000 3.160 2154 T HA 0.295 4.645 4.350 0.000 0.000 0.257 2154 T C 2.185 176.955 174.700 0.117 0.000 1.147 2154 T CA 0.770 62.958 62.100 0.147 0.000 1.064 2154 T CB 0.143 69.097 68.868 0.144 0.000 0.949 2154 T HN 0.547 nan 8.240 nan 0.000 0.526 2155 I N 0.937 121.562 120.570 0.092 0.000 2.248 2155 I HA -0.195 3.975 4.170 0.000 0.000 0.248 2155 I C 1.213 177.383 176.117 0.088 0.000 1.107 2155 I CA 1.092 62.424 61.300 0.054 0.000 1.373 2155 I CB -0.255 37.751 38.000 0.010 0.000 1.055 2155 I HN 0.339 nan 8.210 nan 0.000 0.418 2156 H N 1.796 120.867 119.070 0.002 0.000 3.070 2156 H HA -0.061 4.495 4.556 0.000 0.000 0.313 2156 H C 0.825 176.141 175.328 -0.019 0.000 0.997 2156 H CA 0.455 56.495 56.048 -0.013 0.000 1.438 2156 H CB 0.432 30.199 29.762 0.009 0.000 1.455 2156 H HN 0.216 nan 8.280 nan 0.000 0.575 2157 D N 4.325 124.617 120.400 -0.179 0.000 2.249 2157 D HA -0.013 4.627 4.640 0.000 0.000 0.205 2157 D C 0.071 176.167 176.300 -0.341 0.000 0.962 2157 D CA 0.972 54.847 54.000 -0.209 0.000 0.860 2157 D CB 0.434 41.129 40.800 -0.176 0.000 0.955 2157 D HN 0.497 nan 8.370 nan 0.000 0.505 2158 R N -0.161 119.915 120.500 -0.706 0.000 2.514 2158 R HA 0.451 4.792 4.340 0.000 0.000 0.296 2158 R C -0.766 175.164 176.300 -0.616 0.000 1.012 2158 R CA -0.404 55.257 56.100 -0.733 0.000 0.897 2158 R CB 2.307 31.888 30.300 -1.198 0.000 1.184 2158 R HN -0.054 nan 8.270 nan 0.000 0.440 2159 S N 0.951 116.531 115.700 -0.200 0.000 2.588 2159 S HA 0.436 4.906 4.470 0.000 0.000 0.269 2159 S C -2.602 171.832 174.600 -0.277 0.000 1.157 2159 S CA -1.222 56.829 58.200 -0.249 0.000 0.824 2159 S CB 2.071 65.156 63.200 -0.192 0.000 1.126 2159 S HN 0.273 nan 8.310 nan 0.000 0.464 2160 P HA 0.235 nan 4.420 nan 0.000 0.242 2160 P C 0.087 177.151 177.300 -0.393 0.000 1.197 2160 P CA 0.538 63.320 63.100 -0.530 0.000 0.765 2160 P CB -0.454 30.930 31.700 -0.526 0.000 0.936 2161 F N -1.201 118.778 119.950 0.048 0.000 2.653 2161 F HA 0.262 4.789 4.527 0.000 0.000 0.304 2161 F C 1.243 177.046 175.800 0.005 0.000 1.092 2161 F CA -0.700 57.307 58.000 0.011 0.000 1.279 2161 F CB 0.149 39.149 39.000 0.000 0.000 1.044 2161 F HN -0.310 nan 8.300 nan 0.000 0.564 2162 R N 1.426 121.987 120.500 0.102 0.000 2.598 2162 R HA 0.853 5.193 4.340 0.000 0.000 0.279 2162 R C -0.588 175.724 176.300 0.020 0.000 0.984 2162 R CA -0.686 55.459 56.100 0.075 0.000 0.999 2162 R CB 1.691 32.053 30.300 0.103 0.000 1.114 2162 R HN 0.113 nan 8.270 nan 0.000 0.493 2163 A N 1.631 124.453 122.820 0.004 0.000 2.604 2163 A HA 0.366 4.686 4.320 0.000 0.000 0.295 2163 A C -1.618 175.949 177.584 -0.028 0.000 1.067 2163 A CA -0.778 51.236 52.037 -0.039 0.000 0.683 2163 A CB 1.450 20.415 19.000 -0.059 0.000 1.281 2163 A HN 0.565 nan 8.150 nan 0.000 0.407 2164 L N 2.756 123.950 121.223 -0.048 0.000 2.360 2164 L HA 0.687 5.027 4.340 0.000 0.000 0.276 2164 L C -0.294 176.539 176.870 -0.062 0.000 1.121 2164 L CA 0.171 55.005 54.840 -0.011 0.000 0.845 2164 L CB 0.039 42.115 42.059 0.027 0.000 1.143 2164 L HN 0.565 nan 8.230 nan 0.000 0.452 2165 I N 2.122 122.668 120.570 -0.039 0.000 2.603 2165 I HA 0.835 5.005 4.170 0.000 0.000 0.300 2165 I C -0.358 175.647 176.117 -0.187 0.000 1.017 2165 I CA -0.585 60.672 61.300 -0.072 0.000 1.098 2165 I CB 2.118 40.108 38.000 -0.016 0.000 1.279 2165 I HN 0.660 nan 8.210 nan 0.000 0.437 2166 S N 3.281 118.774 115.700 -0.344 0.000 2.542 2166 S HA 0.847 5.317 4.470 0.000 0.000 0.293 2166 S C -1.242 173.179 174.600 -0.298 0.000 1.089 2166 S CA -0.607 57.096 58.200 -0.827 0.000 0.961 2166 S CB 1.212 63.555 63.200 -1.428 0.000 1.062 2166 S HN 0.990 nan 8.310 nan 0.000 0.483 2167 W N 0.339 121.331 121.300 -0.514 0.000 3.047 2167 W HA 0.693 5.353 4.660 0.000 0.000 0.341 2167 W C -0.782 175.575 176.519 -0.269 0.000 1.225 2167 W CA -1.023 56.131 57.345 -0.317 0.000 1.150 2167 W CB 0.477 29.793 29.460 -0.241 0.000 1.470 2167 W HN 0.793 nan 8.180 nan 0.000 0.578 2168 E N 2.562 122.753 120.200 -0.016 0.000 2.415 2168 E HA 0.003 4.353 4.350 0.000 0.000 0.263 2168 E C 0.143 176.677 176.600 -0.109 0.000 0.995 2168 E CA -0.365 55.985 56.400 -0.084 0.000 0.915 2168 E CB 0.589 30.285 29.700 -0.006 0.000 0.951 2168 E HN 0.635 nan 8.360 nan 0.000 0.449 2169 M N 4.370 123.858 119.600 -0.186 0.000 2.251 2169 M HA 0.036 4.516 4.480 0.000 0.000 0.343 2169 M C 0.956 177.234 176.300 -0.036 0.000 1.245 2169 M CA 1.854 57.045 55.300 -0.183 0.000 1.061 2169 M CB 0.116 32.622 32.600 -0.156 0.000 1.723 2169 M HN 0.876 nan 8.290 nan 0.000 0.449 2170 G N 2.636 111.448 108.800 0.021 0.000 2.349 2170 G HA2 -0.210 3.751 3.960 0.000 0.000 0.213 2170 G HA3 -0.210 3.751 3.960 0.000 0.000 0.213 2170 G C -0.078 174.897 174.900 0.125 0.000 1.044 2170 G CA -0.088 45.049 45.100 0.061 0.000 0.633 2170 G HN 0.670 nan 8.290 nan 0.000 0.506 2171 Q N 1.138 121.051 119.800 0.189 0.000 2.392 2171 Q HA 0.560 4.900 4.340 0.000 0.000 0.262 2171 Q C 0.550 176.627 176.000 0.128 0.000 1.003 2171 Q CA 0.252 56.155 55.803 0.168 0.000 0.888 2171 Q CB 1.097 29.942 28.738 0.177 0.000 1.260 2171 Q HN 0.828 nan 8.270 nan 0.000 0.435 2172 A N 3.503 126.268 122.820 -0.092 0.000 2.316 2172 A HA 0.446 4.766 4.320 0.000 0.000 0.284 2172 A C -2.218 174.943 177.584 -0.704 0.000 1.115 2172 A CA -1.530 50.340 52.037 -0.279 0.000 0.812 2172 A CB 0.080 18.975 19.000 -0.175 0.000 1.064 2172 A HN 0.442 nan 8.150 nan 0.000 0.489 2173 P HA 0.198 nan 4.420 nan 0.000 0.281 2173 P C -0.319 176.573 177.300 -0.679 0.000 1.286 2173 P CA 0.164 62.471 63.100 -1.321 0.000 0.772 2173 P CB 0.970 31.666 31.700 -1.674 0.000 0.862 2174 S N 3.408 118.796 115.700 -0.520 0.000 2.689 2174 S HA 0.605 5.075 4.470 0.000 0.000 0.306 2174 S C -2.146 172.162 174.600 -0.487 0.000 1.104 2174 S CA -1.925 56.002 58.200 -0.456 0.000 0.973 2174 S CB 1.352 64.332 63.200 -0.366 0.000 1.121 2174 S HN 0.030 nan 8.310 nan 0.000 0.523 2175 P HA 0.041 nan 4.420 nan 0.000 0.231 2175 P C -0.047 177.065 177.300 -0.313 0.000 1.158 2175 P CA 1.118 63.896 63.100 -0.535 0.000 0.763 2175 P CB -0.292 31.009 31.700 -0.665 0.000 0.805 2176 Y N -1.708 118.532 120.300 -0.101 0.000 2.430 2176 Y HA 0.189 4.739 4.550 0.000 0.000 0.248 2176 Y C 1.498 177.354 175.900 -0.075 0.000 1.108 2176 Y CA -0.408 57.645 58.100 -0.079 0.000 1.264 2176 Y CB 0.020 38.442 38.460 -0.064 0.000 1.172 2176 Y HN 0.051 nan 8.280 nan 0.000 0.520 2177 N N -0.121 118.584 118.700 0.009 0.000 2.241 2177 N HA 0.039 4.779 4.740 0.000 0.000 0.238 2177 N C -0.638 174.856 175.510 -0.026 0.000 1.244 2177 N CA 0.022 53.068 53.050 -0.006 0.000 0.880 2177 N CB -0.216 38.266 38.487 -0.008 0.000 1.179 2177 N HN 0.014 nan 8.380 nan 0.000 0.513 2178 T N -1.648 112.866 114.554 -0.066 0.000 2.823 2178 T HA 0.459 4.809 4.350 0.000 0.000 0.279 2178 T C -0.218 174.440 174.700 -0.070 0.000 0.998 2178 T CA -0.875 61.193 62.100 -0.054 0.000 0.994 2178 T CB 2.404 71.197 68.868 -0.125 0.000 0.960 2178 T HN 0.151 nan 8.240 nan 0.000 0.448 2179 R N 2.024 122.470 120.500 -0.091 0.000 2.297 2179 R HA 0.505 4.845 4.340 0.000 0.000 0.308 2179 R C -0.874 175.336 176.300 -0.150 0.000 1.029 2179 R CA -0.646 55.380 56.100 -0.123 0.000 0.929 2179 R CB 0.764 30.976 30.300 -0.146 0.000 1.046 2179 R HN 0.596 nan 8.270 nan 0.000 0.461 2180 V N 5.637 125.459 119.914 -0.153 0.000 2.405 2180 V HA 0.026 4.147 4.120 0.000 0.000 0.264 2180 V C 0.965 176.885 176.094 -0.290 0.000 1.048 2180 V CA 0.029 62.215 62.300 -0.190 0.000 0.966 2180 V CB 1.170 32.893 31.823 -0.167 0.000 1.015 2180 V HN 0.879 nan 8.190 nan 0.000 0.477 2181 E N 2.866 122.887 120.200 -0.298 0.000 2.086 2181 E HA 0.033 4.383 4.350 0.000 0.000 0.190 2181 E C 0.557 176.707 176.600 -0.751 0.000 0.975 2181 E CA 1.123 57.297 56.400 -0.377 0.000 0.813 2181 E CB 0.364 29.972 29.700 -0.153 0.000 0.768 2181 E HN 0.938 nan 8.360 nan 0.000 0.457 2182 c N -1.462 116.784 118.600 -0.590 0.000 3.165 2182 c HA 0.490 5.060 4.570 0.000 0.000 0.345 2182 c C -1.062 172.868 174.090 -0.267 0.000 1.367 2182 c CA -1.402 54.536 56.329 -0.653 0.000 1.205 2182 c CB 0.565 42.692 42.510 -0.639 0.000 1.447 2182 c HN 0.031 nan 8.230 nan 0.000 0.451 2183 I N 2.288 122.778 120.570 -0.134 0.000 2.354 2183 I HA 0.793 4.963 4.170 0.000 0.000 0.292 2183 I C 0.764 176.784 176.117 -0.162 0.000 0.989 2183 I CA 0.895 62.135 61.300 -0.101 0.000 1.188 2183 I CB 0.464 38.438 38.000 -0.044 0.000 1.342 2183 I HN 1.506 nan 8.210 nan 0.000 0.457 2184 G N 6.269 114.950 108.800 -0.199 0.000 2.343 2184 G HA2 0.136 4.096 3.960 0.000 0.000 0.289 2184 G HA3 0.136 4.096 3.960 0.000 0.000 0.289 2184 G C -1.050 173.699 174.900 -0.252 0.000 1.295 2184 G CA -0.536 44.312 45.100 -0.421 0.000 0.869 2184 G HN 0.652 nan 8.290 nan 0.000 0.522 2185 W N -0.373 120.909 121.300 -0.030 0.000 2.499 2185 W HA 0.626 5.286 4.660 0.000 0.000 0.362 2185 W C 0.005 176.522 176.519 -0.003 0.000 0.945 2185 W CA 0.150 57.476 57.345 -0.032 0.000 1.721 2185 W CB 0.447 29.860 29.460 -0.078 0.000 1.156 2185 W HN 0.775 nan 8.180 nan 0.000 0.547 2186 S N 1.839 117.667 115.700 0.212 0.000 2.536 2186 S HA 0.617 5.087 4.470 0.000 0.000 0.271 2186 S C -0.715 173.916 174.600 0.052 0.000 1.134 2186 S CA -0.118 58.206 58.200 0.207 0.000 0.897 2186 S CB 1.795 65.171 63.200 0.294 0.000 1.094 2186 S HN 0.218 nan 8.310 nan 0.000 0.473 2187 S N 2.098 117.850 115.700 0.086 0.000 2.570 2187 S HA 0.815 5.285 4.470 0.000 0.000 0.270 2187 S C -0.794 173.812 174.600 0.010 0.000 1.149 2187 S CA -0.565 57.671 58.200 0.059 0.000 0.837 2187 S CB 1.748 65.025 63.200 0.128 0.000 1.124 2187 S HN 0.742 nan 8.310 nan 0.000 0.465 2188 T N 0.289 114.832 114.554 -0.019 0.000 2.901 2188 T HA 0.823 5.173 4.350 0.000 0.000 0.293 2188 T C -1.271 173.412 174.700 -0.028 0.000 1.084 2188 T CA -0.328 61.708 62.100 -0.108 0.000 1.008 2188 T CB 1.734 70.536 68.868 -0.110 0.000 1.170 2188 T HN 1.098 nan 8.240 nan 0.000 0.509 2189 S N 0.113 115.770 115.700 -0.072 0.000 2.537 2189 S HA 0.751 5.221 4.470 0.000 0.000 0.270 2189 S C -1.406 173.143 174.600 -0.085 0.000 1.142 2189 S CA -0.499 57.660 58.200 -0.068 0.000 0.870 2189 S CB 0.317 63.428 63.200 -0.149 0.000 1.112 2189 S HN 1.274 nan 8.310 nan 0.000 0.466 2190 c N 2.567 121.169 118.600 0.003 0.000 3.284 2190 c HA 0.664 5.234 4.570 0.000 0.000 0.338 2190 c C -1.083 173.118 174.090 0.185 0.000 1.237 2190 c CA -0.881 55.510 56.329 0.103 0.000 1.276 2190 c CB 0.831 43.408 42.510 0.112 0.000 1.601 2190 c HN 0.999 nan 8.230 nan 0.000 0.494 2191 H N 1.610 120.796 119.070 0.192 0.000 2.458 2191 H HA 0.365 4.921 4.556 0.000 0.000 0.330 2191 H C -0.141 175.409 175.328 0.370 0.000 1.111 2191 H CA 0.560 56.726 56.048 0.197 0.000 1.245 2191 H CB 1.979 31.742 29.762 0.001 0.000 1.456 2191 H HN 0.952 nan 8.280 nan 0.000 0.488 2192 D N 2.086 122.619 120.400 0.221 0.000 2.342 2192 D HA 0.125 4.765 4.640 0.000 0.000 0.221 2192 D C 1.421 178.094 176.300 0.620 0.000 1.101 2192 D CA 0.465 54.707 54.000 0.403 0.000 0.837 2192 D CB 0.327 41.319 40.800 0.320 0.000 0.938 2192 D HN 0.878 nan 8.370 nan 0.000 0.508 2193 G N 0.040 109.328 108.800 0.814 0.000 2.258 2193 G HA2 -0.324 3.636 3.960 0.000 0.000 0.233 2193 G HA3 -0.324 3.636 3.960 0.000 0.000 0.233 2193 G C 0.992 176.160 174.900 0.447 0.000 1.006 2193 G CA 0.511 46.056 45.100 0.743 0.000 0.620 2193 G HN 0.247 nan 8.290 nan 0.000 0.511 2194 M N -0.149 119.607 119.600 0.261 0.000 2.940 2194 M HA 0.358 4.839 4.480 0.000 0.000 0.248 2194 M C 0.958 177.191 176.300 -0.111 0.000 1.379 2194 M CA 1.441 56.790 55.300 0.082 0.000 1.262 2194 M CB -0.076 32.545 32.600 0.036 0.000 1.201 2194 M HN 0.211 nan 8.290 nan 0.000 0.553 2195 S N -0.684 114.751 115.700 -0.442 0.000 2.685 2195 S HA 0.533 5.003 4.470 0.000 0.000 0.282 2195 S C -0.722 173.349 174.600 -0.882 0.000 1.159 2195 S CA -0.848 56.914 58.200 -0.730 0.000 0.833 2195 S CB 2.978 65.650 63.200 -0.880 0.000 1.151 2195 S HN 0.246 nan 8.310 nan 0.000 0.485 2196 R N 1.268 121.467 120.500 -0.502 0.000 2.265 2196 R HA 0.518 4.858 4.340 0.000 0.000 0.319 2196 R C -0.655 175.612 176.300 -0.056 0.000 1.006 2196 R CA -0.285 55.723 56.100 -0.154 0.000 0.880 2196 R CB 0.637 30.982 30.300 0.075 0.000 1.077 2196 R HN 0.734 nan 8.270 nan 0.000 0.454 2197 M N 3.408 123.070 119.600 0.104 0.000 2.209 2197 M HA 0.292 4.772 4.480 0.000 0.000 0.355 2197 M C -1.254 175.095 176.300 0.082 0.000 1.171 2197 M CA 0.031 55.432 55.300 0.168 0.000 1.069 2197 M CB 1.516 34.213 32.600 0.162 0.000 1.622 2197 M HN 0.573 nan 8.290 nan 0.000 0.459 2198 S N 5.921 121.683 115.700 0.103 0.000 2.557 2198 S HA 0.688 5.158 4.470 0.000 0.000 0.291 2198 S C -0.921 173.726 174.600 0.079 0.000 1.116 2198 S CA -0.673 57.567 58.200 0.067 0.000 0.992 2198 S CB 1.366 64.588 63.200 0.036 0.000 1.028 2198 S HN 0.700 nan 8.310 nan 0.000 0.484 2199 I N 1.840 122.421 120.570 0.017 0.000 2.545 2199 I HA 0.546 4.716 4.170 0.000 0.000 0.292 2199 I C -0.889 175.230 176.117 0.003 0.000 1.040 2199 I CA -0.522 60.788 61.300 0.016 0.000 1.068 2199 I CB 1.842 39.789 38.000 -0.088 0.000 1.251 2199 I HN 0.500 nan 8.210 nan 0.000 0.424 2200 c N 5.776 124.377 118.600 0.001 0.000 2.547 2200 c HA 0.673 5.243 4.570 0.000 0.000 0.313 2200 c C -0.218 173.765 174.090 -0.178 0.000 1.191 2200 c CA -0.596 55.677 56.329 -0.094 0.000 1.474 2200 c CB 1.693 44.139 42.510 -0.107 0.000 2.081 2200 c HN 0.615 nan 8.230 nan 0.000 0.476 2201 M N 2.908 122.293 119.600 -0.358 0.000 2.363 2201 M HA 0.665 5.146 4.480 0.000 0.000 0.343 2201 M C 0.308 175.892 176.300 -1.194 0.000 1.165 2201 M CA 0.404 55.339 55.300 -0.608 0.000 1.046 2201 M CB 1.716 33.958 32.600 -0.597 0.000 1.648 2201 M HN 0.861 nan 8.290 nan 0.000 0.452 2202 S N 0.420 115.522 115.700 -0.996 0.000 2.705 2202 S HA 1.029 5.500 4.470 0.000 0.000 0.280 2202 S C -0.261 174.157 174.600 -0.304 0.000 1.174 2202 S CA -0.233 57.354 58.200 -1.022 0.000 0.823 2202 S CB 1.518 64.413 63.200 -0.509 0.000 1.162 2202 S HN 1.608 nan 8.310 nan 0.000 0.487 2203 G N 0.228 109.088 108.800 0.100 0.000 2.434 2203 G HA2 0.224 4.184 3.960 0.000 0.000 0.671 2203 G HA3 0.224 4.184 3.960 0.000 0.000 0.671 2203 G C -3.477 171.622 174.900 0.332 0.000 1.280 2203 G CA -0.368 44.843 45.100 0.184 0.000 0.975 2203 G HN 0.824 nan 8.290 nan 0.000 0.510 2204 P HA 0.278 nan 4.420 nan 0.000 0.274 2204 P C 0.694 178.047 177.300 0.088 0.000 1.237 2204 P CA -0.452 62.709 63.100 0.103 0.000 0.793 2204 P CB 0.543 32.274 31.700 0.052 0.000 0.977 2205 N N 1.688 120.382 118.700 -0.008 0.000 2.096 2205 N HA -0.217 4.523 4.740 0.000 0.000 0.195 2205 N C 1.110 176.615 175.510 -0.008 0.000 1.017 2205 N CA 1.884 54.906 53.050 -0.047 0.000 0.870 2205 N CB -0.995 37.443 38.487 -0.082 0.000 1.024 2205 N HN 0.596 nan 8.380 nan 0.000 0.434 2206 N N -0.769 117.932 118.700 0.001 0.000 2.322 2206 N HA 0.017 4.757 4.740 0.000 0.000 0.194 2206 N C -0.385 175.131 175.510 0.009 0.000 1.126 2206 N CA 0.193 53.243 53.050 -0.000 0.000 0.845 2206 N CB 0.090 38.576 38.487 -0.002 0.000 0.976 2206 N HN -0.014 nan 8.380 nan 0.000 0.475 2207 N N -0.272 118.444 118.700 0.028 0.000 2.605 2207 N HA 0.268 5.008 4.740 0.000 0.000 0.265 2207 N C -1.410 174.127 175.510 0.044 0.000 1.625 2207 N CA -0.149 52.917 53.050 0.027 0.000 0.862 2207 N CB 0.830 39.332 38.487 0.025 0.000 1.415 2207 N HN 0.352 nan 8.380 nan 0.000 0.513 2208 A N 0.321 123.176 122.820 0.059 0.000 2.271 2208 A HA 0.811 5.132 4.320 0.000 0.000 0.288 2208 A C 0.277 177.843 177.584 -0.030 0.000 1.094 2208 A CA -0.133 51.951 52.037 0.077 0.000 0.828 2208 A CB 0.511 19.656 19.000 0.242 0.000 1.091 2208 A HN 0.380 nan 8.150 nan 0.000 0.493 2209 S N -0.928 114.719 115.700 -0.089 0.000 2.541 2209 S HA 0.750 5.220 4.470 0.000 0.000 0.271 2209 S C -0.584 173.940 174.600 -0.126 0.000 1.133 2209 S CA -0.129 58.021 58.200 -0.083 0.000 0.876 2209 S CB 1.340 64.513 63.200 -0.044 0.000 1.105 2209 S HN 1.965 nan 8.310 nan 0.000 0.470 2210 A N 1.543 124.321 122.820 -0.070 0.000 2.306 2210 A HA 0.775 5.096 4.320 0.000 0.000 0.314 2210 A C -0.509 177.068 177.584 -0.012 0.000 1.164 2210 A CA -0.782 51.222 52.037 -0.054 0.000 0.822 2210 A CB 0.753 19.758 19.000 0.008 0.000 1.130 2210 A HN 1.088 nan 8.150 nan 0.000 0.496 2211 V N 2.904 122.827 119.914 0.015 0.000 2.417 2211 V HA 0.370 4.491 4.120 0.000 0.000 0.291 2211 V C -0.273 175.880 176.094 0.099 0.000 1.024 2211 V CA -0.526 61.797 62.300 0.039 0.000 0.861 2211 V CB 1.433 33.302 31.823 0.076 0.000 0.985 2211 V HN 0.607 nan 8.190 nan 0.000 0.436 2212 V N 4.173 124.075 119.914 -0.020 0.000 2.350 2212 V HA 0.410 4.530 4.120 0.000 0.000 0.276 2212 V C -0.712 175.350 176.094 -0.054 0.000 1.028 2212 V CA -0.592 61.681 62.300 -0.045 0.000 0.860 2212 V CB 0.904 32.607 31.823 -0.200 0.000 0.990 2212 V HN 0.860 nan 8.190 nan 0.000 0.453 2213 W N 4.055 125.324 121.300 -0.052 0.000 2.551 2213 W HA 0.665 5.325 4.660 0.000 0.000 0.330 2213 W C -0.624 175.949 176.519 0.090 0.000 1.063 2213 W CA -0.713 56.639 57.345 0.012 0.000 1.222 2213 W CB 1.241 30.698 29.460 -0.005 0.000 1.349 2213 W HN 0.556 nan 8.180 nan 0.000 0.536 2214 Y N 0.935 121.334 120.300 0.166 0.000 2.362 2214 Y HA 0.459 5.009 4.550 0.000 0.000 0.326 2214 Y C 0.698 176.657 175.900 0.100 0.000 1.083 2214 Y CA -0.341 57.815 58.100 0.094 0.000 1.073 2214 Y CB 1.870 40.356 38.460 0.043 0.000 1.211 2214 Y HN 0.757 nan 8.280 nan 0.000 0.433 2215 G N 3.267 111.816 108.800 -0.419 0.000 2.221 2215 G HA2 -0.046 3.914 3.960 0.000 0.000 0.265 2215 G HA3 -0.046 3.914 3.960 0.000 0.000 0.265 2215 G C 0.998 175.880 174.900 -0.030 0.000 1.041 2215 G CA 0.730 45.661 45.100 -0.282 0.000 0.807 2215 G HN 2.138 nan 8.290 nan 0.000 0.502 2216 G N -1.682 107.165 108.800 0.078 0.000 2.166 2216 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 2216 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 2216 G C 0.334 175.495 174.900 0.436 0.000 0.986 2216 G CA 1.173 46.404 45.100 0.219 0.000 0.683 2216 G HN 1.109 nan 8.290 nan 0.000 0.527 2217 R N 0.466 121.164 120.500 0.330 0.000 2.599 2217 R HA 0.463 4.803 4.340 0.000 0.000 0.295 2217 R C -2.677 173.494 176.300 -0.214 0.000 0.963 2217 R CA -2.053 54.101 56.100 0.089 0.000 0.883 2217 R CB 2.485 32.805 30.300 0.032 0.000 1.171 2217 R HN 0.074 nan 8.270 nan 0.000 0.450 2218 P HA 0.066 nan 4.420 nan 0.000 0.271 2218 P C 0.015 177.063 177.300 -0.420 0.000 1.220 2218 P CA 0.025 62.500 63.100 -1.042 0.000 0.768 2218 P CB 0.940 31.915 31.700 -1.209 0.000 0.848 2219 I N 1.201 121.602 120.570 -0.282 0.000 3.565 2219 I HA 0.142 4.312 4.170 0.000 0.000 0.287 2219 I C 0.870 176.933 176.117 -0.089 0.000 1.193 2219 I CA 0.950 62.179 61.300 -0.117 0.000 1.402 2219 I CB -0.325 37.662 38.000 -0.022 0.000 1.284 2219 I HN 0.263 nan 8.210 nan 0.000 0.454 2220 T N 1.293 115.793 114.554 -0.090 0.000 2.900 2220 T HA 0.558 4.908 4.350 0.000 0.000 0.303 2220 T C -1.040 173.644 174.700 -0.026 0.000 1.142 2220 T CA -0.536 61.556 62.100 -0.014 0.000 1.007 2220 T CB 2.934 71.860 68.868 0.097 0.000 1.156 2220 T HN -0.093 nan 8.240 nan 0.000 0.490 2221 E N 1.053 121.258 120.200 0.008 0.000 2.272 2221 E HA 0.663 5.013 4.350 0.000 0.000 0.269 2221 E C -1.057 175.579 176.600 0.061 0.000 0.877 2221 E CA -0.515 55.893 56.400 0.013 0.000 0.755 2221 E CB 2.045 31.737 29.700 -0.012 0.000 1.192 2221 E HN 0.468 nan 8.360 nan 0.000 0.422 2222 I N 3.562 124.179 120.570 0.079 0.000 2.439 2222 I HA 0.371 4.541 4.170 0.000 0.000 0.285 2222 I C -2.345 173.827 176.117 0.092 0.000 1.021 2222 I CA -2.367 59.013 61.300 0.132 0.000 1.091 2222 I CB 1.748 39.888 38.000 0.234 0.000 1.242 2222 I HN 0.280 nan 8.210 nan 0.000 0.439 2223 P HA 0.076 nan 4.420 nan 0.000 0.274 2223 P C -0.111 177.212 177.300 0.038 0.000 1.237 2223 P CA -0.395 62.739 63.100 0.055 0.000 0.793 2223 P CB 0.887 32.626 31.700 0.065 0.000 0.977 2224 S N 1.057 116.717 115.700 -0.065 0.000 2.544 2224 S HA 0.003 4.474 4.470 0.000 0.000 0.290 2224 S C 0.574 175.153 174.600 -0.036 0.000 1.276 2224 S CA -0.384 57.697 58.200 -0.199 0.000 1.075 2224 S CB -0.402 62.716 63.200 -0.138 0.000 0.849 2224 S HN 0.542 nan 8.310 nan 0.000 0.494 2225 W N 3.760 125.078 121.300 0.029 0.000 3.077 2225 W HA 0.573 5.233 4.660 0.000 0.000 0.266 2225 W C 1.015 177.545 176.519 0.018 0.000 1.300 2225 W CA 0.053 57.410 57.345 0.020 0.000 1.586 2225 W CB -0.372 29.096 29.460 0.015 0.000 1.103 2225 W HN 0.672 nan 8.180 nan 0.000 0.652 2226 A N 0.440 123.274 122.820 0.023 0.000 2.600 2226 A HA 0.580 4.900 4.320 0.000 0.000 0.252 2226 A C 1.723 179.304 177.584 -0.006 0.000 1.200 2226 A CA 0.220 52.293 52.037 0.060 0.000 0.981 2226 A CB -0.522 18.535 19.000 0.094 0.000 1.207 2226 A HN 0.753 nan 8.150 nan 0.000 0.577 2227 G N 0.343 109.120 108.800 -0.038 0.000 2.258 2227 G HA2 -0.275 3.685 3.960 0.000 0.000 0.274 2227 G HA3 -0.275 3.685 3.960 0.000 0.000 0.274 2227 G C -0.067 174.811 174.900 -0.037 0.000 1.021 2227 G CA 0.598 45.682 45.100 -0.027 0.000 0.798 2227 G HN 0.693 nan 8.290 nan 0.000 0.507 2228 N N -0.142 118.520 118.700 -0.064 0.000 2.722 2228 N HA 0.357 5.097 4.740 0.000 0.000 0.242 2228 N C 0.601 176.071 175.510 -0.066 0.000 1.398 2228 N CA -0.394 52.623 53.050 -0.056 0.000 0.755 2228 N CB -0.281 38.181 38.487 -0.042 0.000 1.268 2228 N HN 0.678 nan 8.380 nan 0.000 0.522 2229 I N 0.764 121.306 120.570 -0.047 0.000 7.154 2229 I HA -0.328 3.842 4.170 0.000 0.000 0.126 2229 I C -0.020 176.112 176.117 0.024 0.000 1.808 2229 I CA 0.000 61.291 61.300 -0.015 0.000 2.123 2229 I CB -0.765 37.156 38.000 -0.131 0.000 3.552 2229 I HN 0.364 nan 8.210 nan 0.000 0.195 2230 L N 5.483 126.687 121.223 -0.033 0.000 2.678 2230 L HA 0.091 4.431 4.340 0.000 0.000 0.285 2230 L C 0.847 177.754 176.870 0.062 0.000 1.233 2230 L CA 1.200 55.944 54.840 -0.161 0.000 0.920 2230 L CB 0.076 41.948 42.059 -0.311 0.000 1.176 2230 L HN 0.564 nan 8.230 nan 0.000 0.495 2231 R N 2.467 122.975 120.500 0.014 0.000 2.716 2231 R HA 0.676 5.016 4.340 0.000 0.000 0.271 2231 R C -1.066 175.275 176.300 0.067 0.000 1.028 2231 R CA -0.609 55.569 56.100 0.129 0.000 0.883 2231 R CB 1.366 31.777 30.300 0.186 0.000 1.250 2231 R HN 0.538 nan 8.270 nan 0.000 0.465 2232 T N -1.248 113.352 114.554 0.078 0.000 2.565 2232 T HA 0.183 4.533 4.350 0.000 0.000 0.266 2232 T C 0.391 175.107 174.700 0.027 0.000 0.905 2232 T CA -0.346 61.781 62.100 0.044 0.000 1.122 2232 T CB 1.405 70.293 68.868 0.032 0.000 1.437 2232 T HN 0.650 nan 8.240 nan 0.000 0.506 2233 Q N 0.247 120.036 119.800 -0.018 0.000 2.167 2233 Q HA -0.021 4.319 4.340 0.000 0.000 0.202 2233 Q C -0.011 175.957 176.000 -0.054 0.000 0.970 2233 Q CA 1.216 56.987 55.803 -0.052 0.000 0.855 2233 Q CB 0.041 28.721 28.738 -0.097 0.000 0.911 2233 Q HN 0.606 nan 8.270 nan 0.000 0.438 2234 E N -0.372 119.792 120.200 -0.059 0.000 3.170 2234 E HA -0.188 4.162 4.350 0.000 0.000 0.284 2234 E C -0.248 176.189 176.600 -0.271 0.000 0.967 2234 E CA 1.298 57.693 56.400 -0.009 0.000 0.919 2234 E CB -2.155 27.697 29.700 0.253 0.000 1.469 2234 E HN 0.502 nan 8.360 nan 0.000 0.444 2235 S N -1.428 113.900 115.700 -0.620 0.000 2.727 2235 S HA 0.478 4.948 4.470 0.000 0.000 0.278 2235 S C -0.367 173.778 174.600 -0.758 0.000 1.186 2235 S CA -0.602 57.065 58.200 -0.889 0.000 0.836 2235 S CB 2.175 65.328 63.200 -0.078 0.000 1.186 2235 S HN 0.227 nan 8.310 nan 0.000 0.499 2236 E N 0.069 120.044 120.200 -0.374 0.000 2.383 2236 E HA 0.436 4.787 4.350 0.000 0.000 0.264 2236 E C 0.544 177.110 176.600 -0.056 0.000 1.050 2236 E CA -0.892 55.415 56.400 -0.155 0.000 0.896 2236 E CB 0.346 30.074 29.700 0.046 0.000 0.982 2236 E HN 0.843 nan 8.360 nan 0.000 0.424 2237 c N 1.685 120.261 118.600 -0.040 0.000 2.574 2237 c HA 0.763 5.333 4.570 0.000 0.000 0.335 2237 c C 0.177 174.295 174.090 0.046 0.000 1.493 2237 c CA -0.812 55.515 56.329 -0.004 0.000 2.217 2237 c CB -0.046 42.459 42.510 -0.009 0.000 2.056 2237 c HN 0.586 nan 8.230 nan 0.000 0.607 2238 V N -0.531 119.391 119.914 0.014 0.000 2.888 2238 V HA 0.559 4.679 4.120 0.000 0.000 0.309 2238 V C -0.377 175.693 176.094 -0.041 0.000 1.114 2238 V CA -0.248 62.027 62.300 -0.041 0.000 0.940 2238 V CB 1.190 32.963 31.823 -0.082 0.000 1.021 2238 V HN 1.201 nan 8.190 nan 0.000 0.426 2239 c N 2.989 121.546 118.600 -0.071 0.000 2.561 2239 c HA 0.769 5.339 4.570 0.000 0.000 0.319 2239 c C -0.467 173.624 174.090 0.001 0.000 1.198 2239 c CA -0.466 55.860 56.329 -0.004 0.000 1.665 2239 c CB 1.203 43.751 42.510 0.063 0.000 2.258 2239 c HN 1.042 nan 8.230 nan 0.000 0.493 2240 H N 1.294 120.311 119.070 -0.088 0.000 3.017 2240 H HA 0.227 4.783 4.556 0.000 0.000 0.340 2240 H C -0.422 174.849 175.328 -0.095 0.000 1.014 2240 H CA -0.247 55.758 56.048 -0.072 0.000 1.341 2240 H CB 0.723 30.456 29.762 -0.049 0.000 1.739 2240 H HN 0.877 nan 8.280 nan 0.000 0.506 2241 K N 3.240 123.356 120.400 -0.474 0.000 2.975 2241 K HA -0.251 4.069 4.320 0.000 0.000 0.257 2241 K C 0.870 177.075 176.600 -0.659 0.000 1.005 2241 K CA 1.029 57.076 56.287 -0.400 0.000 0.738 2241 K CB -1.368 30.892 32.500 -0.400 0.000 1.236 2241 K HN 1.076 nan 8.250 nan 0.000 0.483 2242 G N -1.643 106.614 108.800 -0.906 0.000 2.175 2242 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 2242 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 2242 G C 0.055 174.644 174.900 -0.518 0.000 0.982 2242 G CA 0.016 44.301 45.100 -1.358 0.000 0.641 2242 G HN 0.242 nan 8.290 nan 0.000 0.527 2243 V N 1.109 120.862 119.914 -0.268 0.000 2.347 2243 V HA 0.503 4.623 4.120 0.000 0.000 0.280 2243 V C 0.313 176.424 176.094 0.029 0.000 1.021 2243 V CA -0.428 61.830 62.300 -0.070 0.000 0.847 2243 V CB 1.446 33.263 31.823 -0.010 0.000 0.990 2243 V HN 0.440 nan 8.190 nan 0.000 0.444 2244 c N 7.461 126.109 118.600 0.081 0.000 2.335 2244 c HA 0.459 5.029 4.570 0.000 0.000 0.318 2244 c C -2.407 171.754 174.090 0.119 0.000 1.150 2244 c CA -1.631 54.758 56.329 0.099 0.000 1.466 2244 c CB 0.545 43.124 42.510 0.116 0.000 2.024 2244 c HN 0.597 nan 8.230 nan 0.000 0.429 2245 P HA 0.359 nan 4.420 nan 0.000 0.271 2245 P C -0.660 176.586 177.300 -0.090 0.000 1.216 2245 P CA 0.091 63.079 63.100 -0.187 0.000 0.776 2245 P CB 0.737 32.260 31.700 -0.294 0.000 0.881 2246 V N 3.570 123.423 119.914 -0.102 0.000 2.686 2246 V HA 0.256 4.376 4.120 0.000 0.000 0.306 2246 V C -0.173 175.876 176.094 -0.074 0.000 1.065 2246 V CA -0.777 61.522 62.300 -0.003 0.000 0.894 2246 V CB 2.443 34.385 31.823 0.197 0.000 1.004 2246 V HN 0.191 nan 8.190 nan 0.000 0.424 2247 V N 5.891 125.764 119.914 -0.068 0.000 2.407 2247 V HA 0.554 4.674 4.120 0.000 0.000 0.278 2247 V C 0.006 176.112 176.094 0.019 0.000 1.037 2247 V CA -0.150 62.111 62.300 -0.066 0.000 0.900 2247 V CB 1.239 33.005 31.823 -0.095 0.000 0.983 2247 V HN 0.842 nan 8.190 nan 0.000 0.459 2248 M N 3.529 123.184 119.600 0.093 0.000 2.518 2248 M HA 0.574 5.054 4.480 0.000 0.000 0.300 2248 M C -0.584 175.863 176.300 0.245 0.000 1.175 2248 M CA -0.279 55.132 55.300 0.185 0.000 0.890 2248 M CB 2.773 35.577 32.600 0.340 0.000 1.710 2248 M HN 0.552 nan 8.290 nan 0.000 0.453 2249 T N 0.463 115.104 114.554 0.144 0.000 2.893 2249 T HA 0.553 4.903 4.350 0.000 0.000 0.291 2249 T C -1.604 173.095 174.700 -0.001 0.000 1.028 2249 T CA -0.603 61.572 62.100 0.126 0.000 0.995 2249 T CB 1.827 70.699 68.868 0.007 0.000 1.051 2249 T HN 0.578 nan 8.240 nan 0.000 0.470 2250 D N 0.200 120.608 120.400 0.012 0.000 2.970 2250 D HA 0.610 5.250 4.640 0.000 0.000 0.230 2250 D C -0.092 176.201 176.300 -0.011 0.000 1.276 2250 D CA 0.398 54.284 54.000 -0.190 0.000 0.910 2250 D CB 1.583 41.901 40.800 -0.804 0.000 1.590 2250 D HN 0.980 nan 8.370 nan 0.000 0.551 2251 G N 2.756 111.544 108.800 -0.021 0.000 2.347 2251 G HA2 0.046 4.006 3.960 0.000 0.000 0.341 2251 G HA3 0.046 4.006 3.960 0.000 0.000 0.341 2251 G C -2.933 171.976 174.900 0.016 0.000 1.287 2251 G CA -1.006 44.100 45.100 0.011 0.000 0.984 2251 G HN 0.403 nan 8.290 nan 0.000 0.526 2252 P HA 0.343 nan 4.420 nan 0.000 0.266 2252 P C 0.897 178.226 177.300 0.047 0.000 1.186 2252 P CA 1.017 64.093 63.100 -0.039 0.000 0.767 2252 P CB 0.793 32.403 31.700 -0.150 0.000 0.820 2253 A N 3.031 125.856 122.820 0.009 0.000 2.067 2253 A HA -0.086 4.234 4.320 0.000 0.000 0.217 2253 A C 1.031 178.529 177.584 -0.144 0.000 1.156 2253 A CA 1.191 53.253 52.037 0.043 0.000 0.683 2253 A CB -0.715 18.302 19.000 0.030 0.000 0.808 2253 A HN 0.690 nan 8.150 nan 0.000 0.455 2254 N N -0.739 117.826 118.700 -0.224 0.000 2.497 2254 N HA 0.205 4.945 4.740 0.000 0.000 0.284 2254 N C -0.749 174.387 175.510 -0.624 0.000 1.459 2254 N CA -0.347 52.547 53.050 -0.260 0.000 0.899 2254 N CB -0.141 38.295 38.487 -0.084 0.000 1.316 2254 N HN 0.218 nan 8.380 nan 0.000 0.500 2255 N N 0.241 118.320 118.700 -1.035 0.000 3.356 2255 N HA 0.163 4.903 4.740 0.000 0.000 0.246 2255 N C -1.547 173.205 175.510 -1.263 0.000 1.480 2255 N CA -0.585 51.508 53.050 -1.596 0.000 0.877 2255 N CB 1.545 39.590 38.487 -0.736 0.000 1.431 2255 N HN 0.203 nan 8.380 nan 0.000 0.500 2256 R N 0.809 120.575 120.500 -1.224 0.000 2.480 2256 R HA 0.429 4.769 4.340 0.000 0.000 0.303 2256 R C -0.450 175.772 176.300 -0.129 0.000 0.985 2256 R CA 0.372 56.218 56.100 -0.422 0.000 1.051 2256 R CB -0.270 29.921 30.300 -0.182 0.000 0.935 2256 R HN 0.491 nan 8.270 nan 0.000 0.410 2257 A N 3.353 126.215 122.820 0.071 0.000 2.344 2257 A HA 0.758 5.078 4.320 0.000 0.000 0.307 2257 A C -1.107 176.546 177.584 0.115 0.000 1.151 2257 A CA -0.485 51.608 52.037 0.092 0.000 0.842 2257 A CB 1.698 20.775 19.000 0.128 0.000 1.350 2257 A HN 0.803 nan 8.150 nan 0.000 0.459 2258 A N 0.820 123.745 122.820 0.175 0.000 2.322 2258 A HA 0.615 4.936 4.320 0.000 0.000 0.327 2258 A C -0.011 177.772 177.584 0.331 0.000 1.394 2258 A CA -0.261 51.924 52.037 0.246 0.000 0.921 2258 A CB -0.405 18.805 19.000 0.349 0.000 1.153 2258 A HN 0.695 nan 8.150 nan 0.000 0.523 2259 T N 2.861 117.513 114.554 0.164 0.000 2.875 2259 T HA 0.465 4.815 4.350 0.000 0.000 0.284 2259 T C -0.088 174.627 174.700 0.024 0.000 0.995 2259 T CA -0.299 61.884 62.100 0.138 0.000 1.060 2259 T CB 0.943 69.833 68.868 0.037 0.000 0.967 2259 T HN 0.613 nan 8.240 nan 0.000 0.476 2260 K N 2.018 122.427 120.400 0.015 0.000 2.375 2260 K HA 0.574 4.894 4.320 0.000 0.000 0.249 2260 K C -0.836 175.664 176.600 -0.168 0.000 0.942 2260 K CA -0.930 55.248 56.287 -0.183 0.000 0.806 2260 K CB 2.260 34.468 32.500 -0.487 0.000 1.227 2260 K HN 0.436 nan 8.250 nan 0.000 0.430 2261 I N 3.739 124.140 120.570 -0.281 0.000 2.339 2261 I HA 0.387 4.557 4.170 0.000 0.000 0.290 2261 I C -0.159 175.706 176.117 -0.419 0.000 0.994 2261 I CA -0.608 60.448 61.300 -0.407 0.000 1.191 2261 I CB 0.778 38.423 38.000 -0.590 0.000 1.343 2261 I HN 0.425 nan 8.210 nan 0.000 0.458 2262 I N 6.422 126.733 120.570 -0.432 0.000 2.406 2262 I HA 0.294 4.464 4.170 0.000 0.000 0.290 2262 I C -1.044 174.682 176.117 -0.651 0.000 0.999 2262 I CA -0.747 60.282 61.300 -0.452 0.000 1.124 2262 I CB 1.701 39.492 38.000 -0.349 0.000 1.289 2262 I HN 0.395 nan 8.210 nan 0.000 0.441 2263 Y N 5.794 125.804 120.300 -0.483 0.000 2.385 2263 Y HA 0.417 4.967 4.550 0.000 0.000 0.341 2263 Y C -0.221 175.384 175.900 -0.491 0.000 0.965 2263 Y CA -0.445 57.453 58.100 -0.337 0.000 1.180 2263 Y CB 0.653 38.992 38.460 -0.201 0.000 1.139 2263 Y HN 0.306 nan 8.280 nan 0.000 0.502 2264 F N 2.489 122.451 119.950 0.020 0.000 2.397 2264 F HA 0.526 5.053 4.527 0.000 0.000 0.331 2264 F C 0.195 175.951 175.800 -0.073 0.000 1.090 2264 F CA -1.028 56.955 58.000 -0.028 0.000 1.065 2264 F CB 1.388 40.364 39.000 -0.039 0.000 1.184 2264 F HN 0.188 nan 8.300 nan 0.000 0.499 2265 K N 1.827 122.263 120.400 0.059 0.000 2.578 2265 K HA 0.259 4.580 4.320 0.000 0.000 0.250 2265 K C -0.752 175.724 176.600 -0.207 0.000 0.955 2265 K CA -0.416 55.814 56.287 -0.095 0.000 0.825 2265 K CB 0.781 33.209 32.500 -0.120 0.000 1.151 2265 K HN 0.764 nan 8.250 nan 0.000 0.432 2266 E N 2.444 122.349 120.200 -0.491 0.000 2.360 2266 E HA -0.271 4.079 4.350 0.000 0.000 0.238 2266 E C 0.532 176.682 176.600 -0.750 0.000 1.186 2266 E CA 0.693 56.364 56.400 -1.215 0.000 0.719 2266 E CB -1.484 27.821 29.700 -0.658 0.000 1.236 2266 E HN 1.159 nan 8.360 nan 0.000 0.386 2267 G N -0.207 108.371 108.800 -0.371 0.000 2.189 2267 G HA2 -0.401 3.559 3.960 0.000 0.000 0.267 2267 G HA3 -0.401 3.559 3.960 0.000 0.000 0.267 2267 G C 0.202 175.181 174.900 0.131 0.000 0.975 2267 G CA 0.961 46.028 45.100 -0.056 0.000 0.644 2267 G HN 0.305 nan 8.290 nan 0.000 0.537 2268 K N 0.124 120.581 120.400 0.095 0.000 2.156 2268 K HA 0.585 4.905 4.320 0.000 0.000 0.271 2268 K C 0.609 177.272 176.600 0.105 0.000 0.995 2268 K CA -0.871 55.476 56.287 0.101 0.000 0.890 2268 K CB 1.528 34.032 32.500 0.007 0.000 1.073 2268 K HN 0.226 nan 8.250 nan 0.000 0.454 2269 I N 3.939 124.523 120.570 0.024 0.000 2.587 2269 I HA -0.114 4.056 4.170 0.000 0.000 0.284 2269 I C 1.292 177.332 176.117 -0.128 0.000 1.134 2269 I CA 0.024 61.216 61.300 -0.181 0.000 1.410 2269 I CB 0.626 38.523 38.000 -0.172 0.000 1.392 2269 I HN 0.521 nan 8.210 nan 0.000 0.545 2270 Q N 5.045 124.756 119.800 -0.149 0.000 2.259 2270 Q HA 0.169 4.509 4.340 0.000 0.000 0.201 2270 Q C 0.343 176.282 176.000 -0.101 0.000 0.938 2270 Q CA 0.907 56.651 55.803 -0.098 0.000 0.872 2270 Q CB 0.314 29.005 28.738 -0.079 0.000 0.971 2270 Q HN 0.610 nan 8.270 nan 0.000 0.494 2271 K N -0.438 119.910 120.400 -0.086 0.000 2.598 2271 K HA 0.446 4.766 4.320 0.000 0.000 0.271 2271 K C -1.775 174.830 176.600 0.008 0.000 0.947 2271 K CA -0.280 55.970 56.287 -0.060 0.000 0.854 2271 K CB 1.335 33.745 32.500 -0.150 0.000 1.401 2271 K HN -0.075 nan 8.250 nan 0.000 0.415 2272 I N 2.959 123.506 120.570 -0.037 0.000 2.447 2272 I HA 0.335 4.505 4.170 0.000 0.000 0.287 2272 I C -0.634 175.454 176.117 -0.049 0.000 1.023 2272 I CA -0.678 60.575 61.300 -0.079 0.000 1.083 2272 I CB 2.004 39.901 38.000 -0.171 0.000 1.245 2272 I HN 0.526 nan 8.210 nan 0.000 0.434 2273 E N 5.218 125.412 120.200 -0.010 0.000 2.227 2273 E HA 0.402 4.753 4.350 0.000 0.000 0.268 2273 E C -1.005 175.557 176.600 -0.062 0.000 0.907 2273 E CA -0.864 55.549 56.400 0.021 0.000 0.786 2273 E CB 2.299 32.114 29.700 0.191 0.000 1.191 2273 E HN 0.503 nan 8.360 nan 0.000 0.411 2274 E N 1.294 121.472 120.200 -0.036 0.000 2.343 2274 E HA 0.117 4.467 4.350 0.000 0.000 0.269 2274 E C -0.391 176.259 176.600 0.084 0.000 1.047 2274 E CA -0.600 55.771 56.400 -0.048 0.000 0.874 2274 E CB 0.874 30.543 29.700 -0.053 0.000 1.033 2274 E HN 0.216 nan 8.360 nan 0.000 0.409 2275 L N 2.454 123.709 121.223 0.054 0.000 2.601 2275 L HA 0.063 4.403 4.340 0.000 0.000 0.277 2275 L C -0.484 176.525 176.870 0.232 0.000 1.219 2275 L CA 0.673 55.628 54.840 0.192 0.000 0.915 2275 L CB 0.025 42.133 42.059 0.081 0.000 1.160 2275 L HN 0.607 nan 8.230 nan 0.000 0.494 2276 A N 3.614 126.620 122.820 0.310 0.000 2.313 2276 A HA 0.961 5.282 4.320 0.000 0.000 0.323 2276 A C 0.405 177.992 177.584 0.005 0.000 1.133 2276 A CA 0.052 52.099 52.037 0.018 0.000 0.847 2276 A CB 0.817 19.704 19.000 -0.188 0.000 1.308 2276 A HN 1.744 nan 8.150 nan 0.000 0.475 2277 G N 0.007 108.799 108.800 -0.014 0.000 2.548 2277 G HA2 -0.128 3.832 3.960 0.000 0.000 0.208 2277 G HA3 -0.128 3.832 3.960 0.000 0.000 0.208 2277 G C -0.093 174.830 174.900 0.038 0.000 1.308 2277 G CA 0.148 45.245 45.100 -0.003 0.000 0.924 2277 G HN 0.824 nan 8.290 nan 0.000 0.540 2278 N N 0.944 119.673 118.700 0.048 0.000 2.236 2278 N HA 0.416 5.156 4.740 0.000 0.000 0.196 2278 N C 1.063 176.662 175.510 0.148 0.000 1.114 2278 N CA 0.859 53.970 53.050 0.103 0.000 0.859 2278 N CB 0.494 39.053 38.487 0.120 0.000 0.982 2278 N HN 1.098 nan 8.380 nan 0.000 0.493 2279 A N 0.700 123.516 122.820 -0.006 0.000 2.520 2279 A HA 0.059 4.379 4.320 0.000 0.000 0.245 2279 A C 1.052 178.699 177.584 0.105 0.000 1.072 2279 A CA 0.143 52.087 52.037 -0.155 0.000 0.761 2279 A CB 0.349 19.202 19.000 -0.245 0.000 1.004 2279 A HN 0.242 nan 8.150 nan 0.000 0.499 2280 Q N -0.030 119.929 119.800 0.266 0.000 2.391 2280 Q HA 0.074 4.414 4.340 0.000 0.000 0.211 2280 Q C -0.294 176.010 176.000 0.506 0.000 0.908 2280 Q CA 0.650 56.661 55.803 0.347 0.000 0.920 2280 Q CB 0.370 29.256 28.738 0.246 0.000 1.056 2280 Q HN 0.902 nan 8.270 nan 0.000 0.523 2281 H N -0.622 118.626 119.070 0.296 0.000 3.038 2281 H HA 0.398 4.955 4.556 0.000 0.000 0.362 2281 H C -1.754 173.658 175.328 0.139 0.000 1.167 2281 H CA -0.658 55.559 56.048 0.282 0.000 1.197 2281 H CB 1.156 31.174 29.762 0.426 0.000 1.840 2281 H HN -0.125 nan 8.280 nan 0.000 0.540 2282 I N 4.030 124.404 120.570 -0.327 0.000 2.512 2282 I HA 0.328 4.499 4.170 0.000 0.000 0.287 2282 I C -0.736 175.236 176.117 -0.241 0.000 1.069 2282 I CA -0.447 60.737 61.300 -0.192 0.000 1.056 2282 I CB 1.687 39.621 38.000 -0.111 0.000 1.229 2282 I HN 0.706 nan 8.210 nan 0.000 0.429 2283 E N 4.540 124.675 120.200 -0.108 0.000 2.390 2283 E HA 0.357 4.707 4.350 0.000 0.000 0.277 2283 E C -0.850 175.729 176.600 -0.034 0.000 0.939 2283 E CA -0.747 55.622 56.400 -0.052 0.000 0.769 2283 E CB 2.315 32.025 29.700 0.016 0.000 1.251 2283 E HN 0.459 nan 8.360 nan 0.000 0.450 2284 E N 0.049 120.237 120.200 -0.021 0.000 2.297 2284 E HA -0.212 4.138 4.350 0.000 0.000 0.228 2284 E C -0.758 175.808 176.600 -0.056 0.000 1.213 2284 E CA 0.057 56.433 56.400 -0.039 0.000 0.712 2284 E CB -1.623 28.025 29.700 -0.087 0.000 1.202 2284 E HN 0.417 nan 8.360 nan 0.000 0.376 2285 c N 1.118 119.689 118.600 -0.048 0.000 2.611 2285 c HA 0.120 4.690 4.570 0.000 0.000 0.416 2285 c C 1.186 175.255 174.090 -0.035 0.000 1.366 2285 c CA -0.107 56.194 56.329 -0.046 0.000 1.761 2285 c CB 0.153 42.629 42.510 -0.057 0.000 2.619 2285 c HN 0.307 nan 8.230 nan 0.000 0.606 2286 S N 2.098 117.793 115.700 -0.008 0.000 2.438 2286 S HA 0.468 4.938 4.470 0.000 0.000 0.316 2286 S C -0.432 174.188 174.600 0.034 0.000 1.084 2286 S CA -0.496 57.718 58.200 0.023 0.000 1.107 2286 S CB 0.556 63.798 63.200 0.069 0.000 0.981 2286 S HN 0.838 nan 8.310 nan 0.000 0.466 2287 c N 3.826 122.452 118.600 0.044 0.000 2.455 2287 c HA 0.833 5.403 4.570 0.000 0.000 0.320 2287 c C -0.424 173.762 174.090 0.158 0.000 1.226 2287 c CA -1.017 55.331 56.329 0.031 0.000 1.569 2287 c CB -0.348 42.146 42.510 -0.026 0.000 2.200 2287 c HN 0.965 nan 8.230 nan 0.000 0.491 2288 Y N 0.146 120.497 120.300 0.086 0.000 2.669 2288 Y HA 0.909 5.460 4.550 0.000 0.000 0.335 2288 Y C -0.163 175.858 175.900 0.201 0.000 1.116 2288 Y CA -1.084 57.151 58.100 0.226 0.000 1.081 2288 Y CB 1.143 39.818 38.460 0.358 0.000 1.297 2288 Y HN 0.798 nan 8.280 nan 0.000 0.484 2289 G N 0.150 109.145 108.800 0.326 0.000 2.591 2289 G HA2 0.789 4.749 3.960 0.000 0.000 0.306 2289 G HA3 0.789 4.749 3.960 0.000 0.000 0.306 2289 G C -1.916 173.272 174.900 0.481 0.000 1.334 2289 G CA -0.624 44.570 45.100 0.157 0.000 0.981 2289 G HN 1.312 nan 8.290 nan 0.000 0.491 2290 A N 0.273 123.323 122.820 0.384 0.000 2.566 2290 A HA 0.772 5.092 4.320 0.000 0.000 0.297 2290 A C 0.570 178.299 177.584 0.242 0.000 1.059 2290 A CA 0.300 52.628 52.037 0.486 0.000 0.691 2290 A CB 1.067 20.369 19.000 0.505 0.000 1.282 2290 A HN 2.574 nan 8.150 nan 0.000 0.401 2291 G N 0.620 109.527 108.800 0.179 0.000 2.412 2291 G HA2 0.194 4.154 3.960 0.000 0.000 0.297 2291 G HA3 0.194 4.154 3.960 0.000 0.000 0.297 2291 G C 1.740 176.657 174.900 0.028 0.000 0.965 2291 G CA 1.687 46.834 45.100 0.079 0.000 1.134 2291 G HN 2.910 nan 8.290 nan 0.000 0.511 2292 G N -3.022 105.765 108.800 -0.022 0.000 2.166 2292 G HA2 -0.031 3.929 3.960 0.000 0.000 0.260 2292 G HA3 -0.031 3.929 3.960 0.000 0.000 0.260 2292 G C 0.364 175.136 174.900 -0.214 0.000 0.986 2292 G CA 0.737 45.703 45.100 -0.224 0.000 0.683 2292 G HN 1.685 nan 8.290 nan 0.000 0.527 2293 V N 0.569 120.421 119.914 -0.103 0.000 2.656 2293 V HA 0.673 4.793 4.120 0.000 0.000 0.307 2293 V C 0.192 176.222 176.094 -0.107 0.000 1.051 2293 V CA -0.886 61.364 62.300 -0.085 0.000 0.893 2293 V CB 2.041 33.845 31.823 -0.032 0.000 0.999 2293 V HN 0.267 nan 8.190 nan 0.000 0.426 2294 I N 4.742 125.239 120.570 -0.123 0.000 2.354 2294 I HA 0.445 4.616 4.170 0.000 0.000 0.292 2294 I C -0.020 175.966 176.117 -0.218 0.000 0.989 2294 I CA -0.416 60.778 61.300 -0.178 0.000 1.188 2294 I CB 1.256 39.184 38.000 -0.119 0.000 1.342 2294 I HN 0.408 nan 8.210 nan 0.000 0.457 2295 K N 5.630 125.784 120.400 -0.410 0.000 2.244 2295 K HA 0.598 4.918 4.320 0.000 0.000 0.260 2295 K C -1.416 175.028 176.600 -0.259 0.000 0.951 2295 K CA -0.593 55.494 56.287 -0.334 0.000 0.826 2295 K CB 2.059 34.349 32.500 -0.351 0.000 1.108 2295 K HN 0.538 nan 8.250 nan 0.000 0.433 2296 c N 3.678 122.204 118.600 -0.124 0.000 2.369 2296 c HA 0.509 5.079 4.570 0.000 0.000 0.322 2296 c C -0.367 173.697 174.090 -0.044 0.000 1.258 2296 c CA -0.942 55.343 56.329 -0.073 0.000 1.487 2296 c CB -0.185 42.278 42.510 -0.078 0.000 2.165 2296 c HN 0.656 nan 8.230 nan 0.000 0.483 2297 I N 3.003 123.565 120.570 -0.014 0.000 2.355 2297 I HA 0.477 4.647 4.170 0.000 0.000 0.288 2297 I C 0.307 176.411 176.117 -0.020 0.000 0.999 2297 I CA 0.405 61.697 61.300 -0.013 0.000 1.163 2297 I CB 0.688 38.693 38.000 0.008 0.000 1.316 2297 I HN 0.728 nan 8.210 nan 0.000 0.454 2298 c N 4.513 123.089 118.600 -0.040 0.000 2.857 2298 c HA 0.695 5.265 4.570 0.000 0.000 0.397 2298 c C 0.173 174.249 174.090 -0.023 0.000 1.558 2298 c CA -0.962 55.342 56.329 -0.042 0.000 1.694 2298 c CB 2.051 44.523 42.510 -0.063 0.000 2.120 2298 c HN 0.726 nan 8.230 nan 0.000 0.475 2299 R N 1.241 121.735 120.500 -0.010 0.000 2.480 2299 R HA 0.368 4.708 4.340 0.000 0.000 0.306 2299 R C -1.766 174.599 176.300 0.109 0.000 0.958 2299 R CA -0.067 56.054 56.100 0.036 0.000 0.861 2299 R CB 1.137 31.441 30.300 0.007 0.000 1.171 2299 R HN 0.845 nan 8.270 nan 0.000 0.445 2300 D N 3.413 123.923 120.400 0.182 0.000 2.443 2300 D HA 0.066 4.707 4.640 0.000 0.000 0.221 2300 D C -0.041 176.457 176.300 0.330 0.000 1.097 2300 D CA -0.251 53.944 54.000 0.327 0.000 0.865 2300 D CB 1.094 42.101 40.800 0.346 0.000 1.034 2300 D HN 0.629 nan 8.370 nan 0.000 0.511 2301 N N 3.032 122.016 118.700 0.472 0.000 2.467 2301 N HA -0.011 4.729 4.740 0.000 0.000 0.184 2301 N C 0.819 176.395 175.510 0.110 0.000 1.106 2301 N CA 0.292 53.486 53.050 0.239 0.000 0.892 2301 N CB 0.113 38.754 38.487 0.257 0.000 0.969 2301 N HN 0.519 nan 8.380 nan 0.000 0.454 2302 W N 0.453 121.642 121.300 -0.185 0.000 2.674 2302 W HA 0.280 4.940 4.660 0.000 0.000 0.298 2302 W C 1.319 177.795 176.519 -0.072 0.000 1.115 2302 W CA 1.239 58.433 57.345 -0.253 0.000 1.532 2302 W CB -0.149 29.076 29.460 -0.393 0.000 1.142 2302 W HN -0.192 nan 8.180 nan 0.000 0.528 2303 K N -1.212 119.117 120.400 -0.118 0.000 2.443 2303 K HA 0.280 4.600 4.320 0.000 0.000 0.200 2303 K C 0.922 177.448 176.600 -0.124 0.000 1.278 2303 K CA 0.465 56.594 56.287 -0.263 0.000 0.925 2303 K CB 0.536 32.697 32.500 -0.565 0.000 1.225 2303 K HN -0.037 nan 8.250 nan 0.000 0.514 2304 G N 0.237 109.017 108.800 -0.034 0.000 2.390 2304 G HA2 0.396 4.356 3.960 0.000 0.000 0.270 2304 G HA3 0.396 4.356 3.960 0.000 0.000 0.270 2304 G C 0.370 175.289 174.900 0.031 0.000 1.211 2304 G CA -0.193 44.889 45.100 -0.029 0.000 0.842 2304 G HN 0.221 nan 8.290 nan 0.000 0.519 2305 A N 2.534 125.347 122.820 -0.011 0.000 2.238 2305 A HA 0.161 4.481 4.320 0.000 0.000 0.210 2305 A C 1.260 178.859 177.584 0.025 0.000 1.179 2305 A CA -0.072 51.973 52.037 0.012 0.000 0.827 2305 A CB -0.294 18.701 19.000 -0.008 0.000 0.856 2305 A HN 0.714 nan 8.150 nan 0.000 0.488 2306 N N 0.387 119.106 118.700 0.032 0.000 2.463 2306 N HA 0.261 5.001 4.740 0.000 0.000 0.270 2306 N C -0.643 174.997 175.510 0.217 0.000 1.205 2306 N CA -0.417 52.686 53.050 0.088 0.000 0.974 2306 N CB 0.503 39.025 38.487 0.057 0.000 1.197 2306 N HN 0.154 nan 8.380 nan 0.000 0.504 2307 R N -0.052 120.558 120.500 0.182 0.000 2.346 2307 R HA 0.418 4.758 4.340 0.000 0.000 0.311 2307 R C -2.302 174.028 176.300 0.051 0.000 0.983 2307 R CA -1.624 54.547 56.100 0.119 0.000 0.880 2307 R CB 1.171 31.488 30.300 0.028 0.000 1.100 2307 R HN 0.457 nan 8.270 nan 0.000 0.453 2308 P HA 0.031 nan 4.420 nan 0.000 0.269 2308 P C -0.794 176.382 177.300 -0.206 0.000 1.215 2308 P CA -0.173 62.634 63.100 -0.488 0.000 0.780 2308 P CB 0.666 32.087 31.700 -0.465 0.000 0.898 2309 V N 3.310 123.117 119.914 -0.178 0.000 2.577 2309 V HA 0.415 4.535 4.120 0.000 0.000 0.303 2309 V C 0.060 176.113 176.094 -0.067 0.000 1.042 2309 V CA -0.468 61.783 62.300 -0.082 0.000 0.872 2309 V CB 1.737 33.542 31.823 -0.029 0.000 0.998 2309 V HN 0.358 nan 8.190 nan 0.000 0.423 2310 I N 3.009 123.549 120.570 -0.049 0.000 2.377 2310 I HA 0.529 4.699 4.170 0.000 0.000 0.293 2310 I C -0.051 176.058 176.117 -0.013 0.000 0.987 2310 I CA -0.210 61.084 61.300 -0.010 0.000 1.185 2310 I CB 2.137 40.122 38.000 -0.026 0.000 1.341 2310 I HN 0.527 nan 8.210 nan 0.000 0.455 2311 T N 6.975 121.542 114.554 0.022 0.000 2.791 2311 T HA 0.593 4.943 4.350 0.000 0.000 0.288 2311 T C -0.260 174.467 174.700 0.045 0.000 0.999 2311 T CA -0.293 61.809 62.100 0.003 0.000 0.952 2311 T CB 0.886 69.756 68.868 0.003 0.000 0.938 2311 T HN 0.258 nan 8.240 nan 0.000 0.444 2312 I N 2.777 123.360 120.570 0.021 0.000 2.404 2312 I HA 0.321 4.491 4.170 0.000 0.000 0.293 2312 I C -0.201 175.942 176.117 0.043 0.000 0.992 2312 I CA -0.821 60.524 61.300 0.075 0.000 1.149 2312 I CB 1.651 39.678 38.000 0.045 0.000 1.315 2312 I HN 0.468 nan 8.210 nan 0.000 0.446 2313 D N 8.827 129.268 120.400 0.069 0.000 2.396 2313 D HA 0.220 4.860 4.640 0.000 0.000 0.225 2313 D C -1.740 174.589 176.300 0.050 0.000 1.121 2313 D CA -2.272 51.738 54.000 0.017 0.000 0.853 2313 D CB 1.665 42.464 40.800 -0.002 0.000 1.043 2313 D HN 0.210 nan 8.370 nan 0.000 0.500 2314 P HA -0.043 nan 4.420 nan 0.000 0.230 2314 P C 0.727 178.075 177.300 0.081 0.000 1.158 2314 P CA 0.736 63.901 63.100 0.110 0.000 0.769 2314 P CB 0.803 32.564 31.700 0.101 0.000 0.807 2315 E N -0.543 119.686 120.200 0.049 0.000 2.057 2315 E HA 0.077 4.427 4.350 0.000 0.000 0.190 2315 E C 2.161 178.736 176.600 -0.042 0.000 0.969 2315 E CA 0.734 57.164 56.400 0.050 0.000 0.812 2315 E CB -0.297 29.454 29.700 0.086 0.000 0.777 2315 E HN 0.121 nan 8.360 nan 0.000 0.455 2316 M N -0.143 119.422 119.600 -0.058 0.000 2.296 2316 M HA -0.008 4.472 4.480 0.000 0.000 0.265 2316 M C 0.551 176.732 176.300 -0.198 0.000 1.064 2316 M CA 0.867 56.108 55.300 -0.099 0.000 1.109 2316 M CB -0.183 32.377 32.600 -0.068 0.000 1.396 2316 M HN 0.213 nan 8.290 nan 0.000 0.430 2317 M N 1.509 120.947 119.600 -0.269 0.000 2.417 2317 M HA -0.137 4.343 4.480 0.000 0.000 0.205 2317 M C -0.386 175.637 176.300 -0.462 0.000 0.452 2317 M CA 0.558 55.418 55.300 -0.734 0.000 0.512 2317 M CB -2.354 29.596 32.600 -1.083 0.000 1.774 2317 M HN 0.392 nan 8.290 nan 0.000 0.874 2318 T N -2.275 112.240 114.554 -0.065 0.000 2.903 2318 T HA 0.877 5.228 4.350 0.000 0.000 0.299 2318 T C -0.630 174.188 174.700 0.196 0.000 1.093 2318 T CA -0.834 61.305 62.100 0.065 0.000 1.002 2318 T CB 2.722 71.574 68.868 -0.027 0.000 1.127 2318 T HN 0.479 nan 8.240 nan 0.000 0.488 2319 H N -0.247 118.856 119.070 0.054 0.000 2.946 2319 H HA 0.816 5.372 4.556 0.000 0.000 0.365 2319 H C -1.116 174.216 175.328 0.007 0.000 1.197 2319 H CA -0.759 55.310 56.048 0.036 0.000 1.131 2319 H CB 1.634 31.423 29.762 0.045 0.000 1.849 2319 H HN 0.970 nan 8.280 nan 0.000 0.555 2320 T N -1.067 113.460 114.554 -0.046 0.000 2.901 2320 T HA 0.622 4.972 4.350 0.000 0.000 0.293 2320 T C -0.485 174.230 174.700 0.024 0.000 1.084 2320 T CA -0.566 61.471 62.100 -0.104 0.000 1.008 2320 T CB 1.653 70.485 68.868 -0.061 0.000 1.170 2320 T HN 0.954 nan 8.240 nan 0.000 0.509 2321 S N 0.322 116.023 115.700 0.002 0.000 2.546 2321 S HA 0.869 5.339 4.470 0.000 0.000 0.274 2321 S C -0.921 173.666 174.600 -0.021 0.000 1.121 2321 S CA -0.838 57.365 58.200 0.006 0.000 0.887 2321 S CB 2.170 65.388 63.200 0.029 0.000 1.094 2321 S HN 1.340 nan 8.310 nan 0.000 0.474 2322 K N 0.430 120.794 120.400 -0.060 0.000 2.210 2322 K HA 0.475 4.796 4.320 0.000 0.000 0.256 2322 K C -1.706 174.791 176.600 -0.173 0.000 0.854 2322 K CA -0.939 55.331 56.287 -0.028 0.000 0.706 2322 K CB 0.245 32.774 32.500 0.048 0.000 1.474 2322 K HN 0.550 nan 8.250 nan 0.000 0.371 2323 Y N 0.458 120.764 120.300 0.010 0.000 2.528 2323 Y HA 0.448 4.998 4.550 0.000 0.000 0.335 2323 Y C 0.148 176.050 175.900 0.003 0.000 1.093 2323 Y CA -1.049 57.054 58.100 0.005 0.000 1.134 2323 Y CB 1.517 39.975 38.460 -0.004 0.000 1.253 2323 Y HN 0.333 nan 8.280 nan 0.000 0.478 2324 L N 1.634 122.952 121.223 0.158 0.000 2.410 2324 L HA -0.003 4.337 4.340 0.000 0.000 0.273 2324 L C 0.449 177.370 176.870 0.085 0.000 1.152 2324 L CA -0.153 54.740 54.840 0.087 0.000 0.855 2324 L CB 0.556 42.649 42.059 0.056 0.000 1.129 2324 L HN 0.971 nan 8.230 nan 0.000 0.463 2325 c N 1.683 120.316 118.600 0.055 0.000 2.432 2325 c HA -0.071 4.499 4.570 0.000 0.000 0.280 2325 c C 1.735 175.834 174.090 0.014 0.000 1.353 2325 c CA 0.105 56.455 56.329 0.036 0.000 1.766 2325 c CB -0.748 41.778 42.510 0.026 0.000 1.924 2325 c HN 0.844 nan 8.230 nan 0.000 0.509 2326 S N 1.002 116.707 115.700 0.009 0.000 2.564 2326 S HA 0.080 4.550 4.470 0.000 0.000 0.278 2326 S C 1.426 176.016 174.600 -0.016 0.000 1.333 2326 S CA -0.381 57.814 58.200 -0.009 0.000 1.048 2326 S CB 0.473 63.664 63.200 -0.015 0.000 0.900 2326 S HN 0.677 nan 8.310 nan 0.000 0.505 2327 K N 2.555 122.941 120.400 -0.023 0.000 2.360 2327 K HA -0.019 4.301 4.320 0.000 0.000 0.201 2327 K C 0.185 176.765 176.600 -0.032 0.000 1.046 2327 K CA 0.830 57.100 56.287 -0.028 0.000 0.945 2327 K CB -0.467 32.015 32.500 -0.029 0.000 0.750 2327 K HN 0.393 nan 8.250 nan 0.000 0.464 2328 V N 3.817 123.710 119.914 -0.035 0.000 2.377 2328 V HA 0.083 4.203 4.120 0.000 0.000 0.254 2328 V C 0.250 176.319 176.094 -0.043 0.000 1.060 2328 V CA -0.031 62.242 62.300 -0.044 0.000 1.068 2328 V CB -0.389 31.402 31.823 -0.054 0.000 1.113 2328 V HN 0.208 nan 8.190 nan 0.000 0.484 2329 L N 4.992 126.190 121.223 -0.041 0.000 2.349 2329 L HA 0.372 4.712 4.340 0.000 0.000 0.275 2329 L C 1.239 178.080 176.870 -0.048 0.000 1.115 2329 L CA 0.058 54.878 54.840 -0.034 0.000 0.820 2329 L CB 1.172 43.214 42.059 -0.028 0.000 1.135 2329 L HN 0.744 nan 8.230 nan 0.000 0.445 2330 T N -3.910 110.618 114.554 -0.044 0.000 3.058 2330 T HA 0.118 4.468 4.350 0.000 0.000 0.278 2330 T C 0.240 174.915 174.700 -0.041 0.000 0.974 2330 T CA -0.515 61.541 62.100 -0.073 0.000 0.893 2330 T CB 0.155 68.952 68.868 -0.118 0.000 1.138 2330 T HN 0.412 nan 8.240 nan 0.000 0.529 2331 D N 1.899 122.296 120.400 -0.005 0.000 2.383 2331 D HA 0.467 5.107 4.640 0.000 0.000 0.248 2331 D C -0.267 176.050 176.300 0.029 0.000 1.170 2331 D CA 0.254 54.268 54.000 0.024 0.000 0.977 2331 D CB 1.670 42.498 40.800 0.046 0.000 1.120 2331 D HN 0.174 nan 8.370 nan 0.000 0.481 2332 T N 0.356 114.944 114.554 0.057 0.000 2.924 2332 T HA 0.370 4.720 4.350 0.000 0.000 0.291 2332 T C -0.707 174.038 174.700 0.075 0.000 1.045 2332 T CA -0.659 61.482 62.100 0.069 0.000 1.015 2332 T CB 1.065 69.991 68.868 0.098 0.000 1.103 2332 T HN 0.397 nan 8.240 nan 0.000 0.496 2333 S N 2.190 117.931 115.700 0.068 0.000 4.454 2333 S HA -0.176 4.294 4.470 0.000 0.000 0.520 2333 S C 0.258 174.877 174.600 0.032 0.000 1.035 2333 S CA 0.606 58.835 58.200 0.048 0.000 0.951 2333 S CB -0.496 62.731 63.200 0.045 0.000 1.536 2333 S HN 0.838 nan 8.310 nan 0.000 0.392 2334 R N 2.300 122.811 120.500 0.019 0.000 2.799 2334 R HA 0.755 5.095 4.340 0.000 0.000 0.270 2334 R C -3.393 172.906 176.300 -0.002 0.000 1.010 2334 R CA -2.359 53.743 56.100 0.005 0.000 0.916 2334 R CB 1.175 31.473 30.300 -0.002 0.000 1.228 2334 R HN 0.320 nan 8.270 nan 0.000 0.469 2335 P HA 0.091 nan 4.420 nan 0.000 0.279 2335 P C -0.826 176.464 177.300 -0.016 0.000 1.282 2335 P CA -0.593 62.499 63.100 -0.013 0.000 0.788 2335 P CB 0.371 32.058 31.700 -0.021 0.000 1.139 2336 N N 0.527 119.218 118.700 -0.015 0.000 2.329 2336 N HA -0.012 4.728 4.740 0.000 0.000 0.237 2336 N C -0.057 175.439 175.510 -0.023 0.000 1.258 2336 N CA 0.567 53.606 53.050 -0.018 0.000 0.866 2336 N CB -0.421 38.057 38.487 -0.016 0.000 1.102 2336 N HN 0.342 nan 8.380 nan 0.000 0.440 2337 D N 1.703 122.088 120.400 -0.025 0.000 2.455 2337 D HA 0.139 4.779 4.640 0.000 0.000 0.241 2337 D C -1.603 174.680 176.300 -0.028 0.000 1.138 2337 D CA -0.421 53.562 54.000 -0.029 0.000 0.877 2337 D CB 0.245 41.026 40.800 -0.031 0.000 1.187 2337 D HN 0.334 nan 8.370 nan 0.000 0.451 2338 P HA 0.173 nan 4.420 nan 0.000 0.282 2338 P C 0.605 177.888 177.300 -0.028 0.000 1.287 2338 P CA -0.445 62.636 63.100 -0.030 0.000 0.792 2338 P CB 0.594 32.272 31.700 -0.036 0.000 1.163 2339 T N -1.007 113.531 114.554 -0.026 0.000 2.746 2339 T HA -0.077 4.273 4.350 0.000 0.000 0.267 2339 T C 0.521 175.206 174.700 -0.025 0.000 1.039 2339 T CA 1.540 63.626 62.100 -0.024 0.000 1.142 2339 T CB -0.564 68.291 68.868 -0.022 0.000 0.866 2339 T HN 0.510 nan 8.240 nan 0.000 0.444 2340 N N -0.430 118.253 118.700 -0.028 0.000 2.265 2340 N HA 0.582 5.322 4.740 0.000 0.000 0.300 2340 N C 0.030 175.520 175.510 -0.033 0.000 1.148 2340 N CA -0.559 52.475 53.050 -0.028 0.000 0.772 2340 N CB 1.896 40.367 38.487 -0.026 0.000 1.434 2340 N HN 0.211 nan 8.380 nan 0.000 0.481 2341 G N -0.177 108.605 108.800 -0.029 0.000 2.543 2341 G HA2 0.345 4.305 3.960 0.000 0.000 0.267 2341 G HA3 0.345 4.305 3.960 0.000 0.000 0.267 2341 G C -0.813 174.063 174.900 -0.039 0.000 1.406 2341 G CA -0.079 45.001 45.100 -0.033 0.000 1.048 2341 G HN 0.526 nan 8.290 nan 0.000 0.548 2342 N N -1.658 117.017 118.700 -0.042 0.000 2.572 2342 N HA 0.096 4.837 4.740 0.000 0.000 0.287 2342 N C 0.408 175.910 175.510 -0.013 0.000 1.136 2342 N CA -0.580 52.440 53.050 -0.051 0.000 0.900 2342 N CB 1.179 39.603 38.487 -0.105 0.000 1.484 2342 N HN 0.266 nan 8.380 nan 0.000 0.526 2343 c N 0.838 119.454 118.600 0.026 0.000 2.472 2343 c HA 0.171 4.741 4.570 0.000 0.000 0.278 2343 c C 1.020 175.197 174.090 0.145 0.000 1.447 2343 c CA 0.193 56.573 56.329 0.084 0.000 1.773 2343 c CB -0.378 42.165 42.510 0.055 0.000 1.793 2343 c HN 0.622 nan 8.230 nan 0.000 0.544 2344 D N -0.521 119.931 120.400 0.087 0.000 2.516 2344 D HA 0.353 4.993 4.640 0.000 0.000 0.241 2344 D C 0.205 176.538 176.300 0.055 0.000 1.246 2344 D CA 0.454 54.521 54.000 0.113 0.000 0.808 2344 D CB 0.899 41.732 40.800 0.054 0.000 1.147 2344 D HN 0.449 nan 8.370 nan 0.000 0.527 2345 A N 1.479 124.210 122.820 -0.149 0.000 2.604 2345 A HA 0.603 4.923 4.320 0.000 0.000 0.295 2345 A C -2.865 174.239 177.584 -0.801 0.000 1.067 2345 A CA -1.146 50.692 52.037 -0.331 0.000 0.683 2345 A CB 1.907 20.787 19.000 -0.199 0.000 1.281 2345 A HN -0.259 nan 8.150 nan 0.000 0.407 2346 P HA 0.388 nan 4.420 nan 0.000 0.272 2346 P C -0.798 176.242 177.300 -0.434 0.000 1.223 2346 P CA 0.254 62.884 63.100 -0.784 0.000 0.784 2346 P CB 0.552 31.988 31.700 -0.440 0.000 0.923 2347 I N 1.892 122.275 120.570 -0.312 0.000 2.339 2347 I HA 0.201 4.371 4.170 0.000 0.000 0.290 2347 I C 1.289 177.320 176.117 -0.142 0.000 0.994 2347 I CA -0.412 60.774 61.300 -0.189 0.000 1.191 2347 I CB 1.484 39.402 38.000 -0.137 0.000 1.343 2347 I HN 0.336 nan 8.210 nan 0.000 0.458 2348 T N 2.399 116.876 114.554 -0.129 0.000 2.847 2348 T HA 0.859 5.209 4.350 0.000 0.000 0.279 2348 T C 0.297 174.958 174.700 -0.065 0.000 0.984 2348 T CA -0.075 61.963 62.100 -0.102 0.000 0.988 2348 T CB 1.816 70.618 68.868 -0.111 0.000 1.040 2348 T HN 1.076 nan 8.240 nan 0.000 0.528 2349 G N -1.288 107.485 108.800 -0.045 0.000 2.408 2349 G HA2 0.521 4.481 3.960 0.000 0.000 0.682 2349 G HA3 0.521 4.481 3.960 0.000 0.000 0.682 2349 G C -0.030 174.863 174.900 -0.011 0.000 1.303 2349 G CA -0.115 44.969 45.100 -0.026 0.000 0.966 2349 G HN 2.627 nan 8.290 nan 0.000 0.560 2350 G N -1.973 106.825 108.800 -0.004 0.000 2.629 2350 G HA2 0.547 4.507 3.960 0.000 0.000 0.686 2350 G HA3 0.547 4.507 3.960 0.000 0.000 0.686 2350 G C -0.078 174.831 174.900 0.016 0.000 1.232 2350 G CA 1.039 46.143 45.100 0.008 0.000 0.803 2350 G HN 2.891 nan 8.290 nan 0.000 0.638 2351 S N 0.758 116.472 115.700 0.023 0.000 2.556 2351 S HA 0.799 5.269 4.470 0.000 0.000 0.280 2351 S C -2.583 172.039 174.600 0.036 0.000 1.141 2351 S CA 0.074 58.290 58.200 0.027 0.000 0.883 2351 S CB 2.490 65.701 63.200 0.020 0.000 1.103 2351 S HN 0.757 nan 8.310 nan 0.000 0.453 2352 P HA 0.342 nan 4.420 nan 0.000 0.261 2352 P C -0.710 176.614 177.300 0.040 0.000 1.268 2352 P CA 0.235 63.356 63.100 0.035 0.000 0.833 2352 P CB -0.112 31.606 31.700 0.031 0.000 1.231 2353 D N 1.375 121.806 120.400 0.051 0.000 2.198 2353 D HA 0.164 4.804 4.640 0.000 0.000 0.245 2353 D C -1.439 174.900 176.300 0.066 0.000 1.079 2353 D CA -1.830 52.208 54.000 0.063 0.000 0.854 2353 D CB 1.444 42.292 40.800 0.081 0.000 1.148 2353 D HN 0.081 nan 8.370 nan 0.000 0.456 2354 P HA 0.092 nan 4.420 nan 0.000 0.236 2354 P C 0.268 177.625 177.300 0.094 0.000 1.177 2354 P CA 0.289 63.436 63.100 0.078 0.000 0.773 2354 P CB 0.805 32.552 31.700 0.079 0.000 0.878 2355 G N -1.659 107.203 108.800 0.103 0.000 2.377 2355 G HA2 0.406 4.366 3.960 0.000 0.000 0.297 2355 G HA3 0.406 4.366 3.960 0.000 0.000 0.297 2355 G C -2.421 172.553 174.900 0.124 0.000 1.547 2355 G CA -0.316 44.850 45.100 0.109 0.000 0.833 2355 G HN 0.011 nan 8.290 nan 0.000 0.583 2356 V N 0.280 120.250 119.914 0.093 0.000 3.012 2356 V HA 0.732 4.852 4.120 0.000 0.000 0.307 2356 V C -0.050 175.975 176.094 -0.115 0.000 1.166 2356 V CA -1.099 61.251 62.300 0.083 0.000 0.974 2356 V CB 1.965 33.903 31.823 0.191 0.000 1.040 2356 V HN 1.045 nan 8.190 nan 0.000 0.428 2357 K N 3.207 123.283 120.400 -0.540 0.000 2.484 2357 K HA 0.512 4.832 4.320 0.000 0.000 0.280 2357 K C 0.099 176.588 176.600 -0.185 0.000 1.013 2357 K CA 1.052 57.008 56.287 -0.552 0.000 1.029 2357 K CB 0.431 32.243 32.500 -1.148 0.000 0.902 2357 K HN 0.982 nan 8.250 nan 0.000 0.481 2358 G N 2.627 111.397 108.800 -0.050 0.000 2.870 2358 G HA2 0.695 4.655 3.960 0.000 0.000 0.299 2358 G HA3 0.695 4.655 3.960 0.000 0.000 0.299 2358 G C -1.556 173.421 174.900 0.128 0.000 1.324 2358 G CA -0.747 44.397 45.100 0.074 0.000 0.808 2358 G HN 0.682 nan 8.290 nan 0.000 0.535 2359 F N -2.213 117.690 119.950 -0.078 0.000 2.770 2359 F HA 0.873 5.400 4.527 0.000 0.000 0.313 2359 F C -0.809 174.910 175.800 -0.136 0.000 1.154 2359 F CA -0.837 57.081 58.000 -0.137 0.000 0.923 2359 F CB 1.219 40.092 39.000 -0.213 0.000 1.301 2359 F HN 1.406 nan 8.300 nan 0.000 0.449 2360 A N 1.197 123.868 122.820 -0.249 0.000 2.608 2360 A HA 0.769 5.089 4.320 0.000 0.000 0.292 2360 A C -2.481 175.062 177.584 -0.068 0.000 1.066 2360 A CA -0.698 51.179 52.037 -0.267 0.000 0.676 2360 A CB 1.047 19.957 19.000 -0.150 0.000 1.277 2360 A HN 0.764 nan 8.150 nan 0.000 0.413 2361 F N 0.508 120.575 119.950 0.194 0.000 2.444 2361 F HA 0.645 5.172 4.527 0.000 0.000 0.342 2361 F C -0.187 175.738 175.800 0.209 0.000 1.121 2361 F CA -0.363 57.697 58.000 0.100 0.000 0.997 2361 F CB 1.899 40.887 39.000 -0.020 0.000 1.130 2361 F HN 0.361 nan 8.300 nan 0.000 0.454 2362 L N 3.570 125.061 121.223 0.446 0.000 2.342 2362 L HA 0.482 4.822 4.340 0.000 0.000 0.276 2362 L C -0.933 176.123 176.870 0.310 0.000 0.997 2362 L CA -0.376 54.651 54.840 0.311 0.000 0.838 2362 L CB 1.545 43.743 42.059 0.232 0.000 1.224 2362 L HN 0.477 nan 8.230 nan 0.000 0.416 2363 D N 2.694 123.230 120.400 0.227 0.000 3.118 2363 D HA 0.398 5.038 4.640 0.000 0.000 0.286 2363 D C 0.682 177.051 176.300 0.116 0.000 1.255 2363 D CA 0.699 54.809 54.000 0.184 0.000 0.748 2363 D CB 0.660 41.580 40.800 0.200 0.000 1.332 2363 D HN 0.689 nan 8.370 nan 0.000 0.575 2364 G N 1.669 110.524 108.800 0.090 0.000 2.591 2364 G HA2 -0.389 3.571 3.960 0.000 0.000 0.298 2364 G HA3 -0.389 3.571 3.960 0.000 0.000 0.298 2364 G C 1.046 175.966 174.900 0.033 0.000 1.195 2364 G CA 0.477 45.609 45.100 0.053 0.000 0.989 2364 G HN 0.375 nan 8.290 nan 0.000 0.551 2365 E N 0.955 121.166 120.200 0.018 0.000 2.204 2365 E HA -0.108 4.242 4.350 0.000 0.000 0.195 2365 E C 1.719 178.311 176.600 -0.014 0.000 0.990 2365 E CA 1.201 57.596 56.400 -0.008 0.000 0.821 2365 E CB -0.223 29.472 29.700 -0.009 0.000 0.750 2365 E HN 0.425 nan 8.360 nan 0.000 0.477 2366 N N 1.101 119.822 118.700 0.036 0.000 3.052 2366 N HA 0.002 4.742 4.740 0.000 0.000 0.302 2366 N C -1.384 174.221 175.510 0.158 0.000 1.332 2366 N CA -0.025 53.075 53.050 0.084 0.000 1.129 2366 N CB 0.160 38.707 38.487 0.100 0.000 1.436 2366 N HN -0.206 nan 8.380 nan 0.000 0.536 2367 S N 0.455 116.196 115.700 0.068 0.000 2.454 2367 S HA 0.483 4.953 4.470 0.000 0.000 0.306 2367 S C -1.158 173.498 174.600 0.093 0.000 1.100 2367 S CA -0.556 57.733 58.200 0.148 0.000 1.087 2367 S CB 0.786 64.043 63.200 0.094 0.000 1.019 2367 S HN 0.330 nan 8.310 nan 0.000 0.480 2368 W N 2.713 124.125 121.300 0.186 0.000 2.739 2368 W HA 0.618 5.278 4.660 0.000 0.000 0.331 2368 W C -1.122 175.405 176.519 0.013 0.000 1.049 2368 W CA -0.615 56.837 57.345 0.179 0.000 1.234 2368 W CB 1.046 30.760 29.460 0.422 0.000 1.404 2368 W HN 0.345 nan 8.180 nan 0.000 0.477 2369 L N 3.345 124.644 121.223 0.126 0.000 2.341 2369 L HA 0.808 5.148 4.340 0.000 0.000 0.278 2369 L C 0.684 177.378 176.870 -0.294 0.000 1.005 2369 L CA -0.995 53.756 54.840 -0.149 0.000 0.818 2369 L CB 1.298 43.284 42.059 -0.122 0.000 1.259 2369 L HN 0.552 nan 8.230 nan 0.000 0.418 2370 G N 2.377 110.771 108.800 -0.677 0.000 2.425 2370 G HA2 0.776 4.737 3.960 0.000 0.000 0.302 2370 G HA3 0.776 4.737 3.960 0.000 0.000 0.302 2370 G C -0.728 173.870 174.900 -0.505 0.000 1.159 2370 G CA -0.435 44.293 45.100 -0.620 0.000 0.865 2370 G HN 0.807 nan 8.290 nan 0.000 0.515 2371 R N -0.823 119.210 120.500 -0.779 0.000 2.728 2371 R HA 0.522 4.862 4.340 0.000 0.000 0.274 2371 R C -0.359 175.392 176.300 -0.916 0.000 1.032 2371 R CA -0.802 54.935 56.100 -0.605 0.000 0.866 2371 R CB 0.191 30.313 30.300 -0.297 0.000 1.263 2371 R HN 0.651 nan 8.270 nan 0.000 0.475 2372 T N -0.741 113.590 114.554 -0.370 0.000 2.903 2372 T HA 0.216 4.566 4.350 0.000 0.000 0.314 2372 T C 1.495 176.109 174.700 -0.144 0.000 1.078 2372 T CA -0.543 61.472 62.100 -0.141 0.000 1.114 2372 T CB 0.480 69.403 68.868 0.093 0.000 0.987 2372 T HN 0.546 nan 8.240 nan 0.000 0.548 2373 I N 0.687 121.218 120.570 -0.065 0.000 2.233 2373 I HA -0.046 4.124 4.170 0.000 0.000 0.243 2373 I C 2.013 178.116 176.117 -0.022 0.000 1.093 2373 I CA 0.547 61.817 61.300 -0.050 0.000 1.380 2373 I CB -0.449 37.541 38.000 -0.016 0.000 1.067 2373 I HN 0.682 nan 8.210 nan 0.000 0.413 2374 S N 1.511 117.217 115.700 0.009 0.000 2.546 2374 S HA -0.049 4.421 4.470 0.000 0.000 0.290 2374 S C 1.284 175.899 174.600 0.026 0.000 1.290 2374 S CA -0.272 57.944 58.200 0.026 0.000 1.069 2374 S CB 0.519 63.756 63.200 0.061 0.000 0.846 2374 S HN 0.368 nan 8.310 nan 0.000 0.495 2375 K N 3.429 123.840 120.400 0.018 0.000 2.296 2375 K HA 0.026 4.346 4.320 0.000 0.000 0.200 2375 K C 0.602 177.223 176.600 0.036 0.000 1.048 2375 K CA 1.096 57.393 56.287 0.017 0.000 0.966 2375 K CB 0.031 32.534 32.500 0.004 0.000 0.754 2375 K HN 0.533 nan 8.250 nan 0.000 0.466 2376 D N 0.451 120.881 120.400 0.050 0.000 2.277 2376 D HA 0.057 4.697 4.640 0.000 0.000 0.209 2376 D C 0.170 176.525 176.300 0.091 0.000 0.970 2376 D CA 0.491 54.529 54.000 0.063 0.000 0.874 2376 D CB 0.510 41.347 40.800 0.061 0.000 0.982 2376 D HN 0.086 nan 8.370 nan 0.000 0.504 2377 S N -0.644 115.129 115.700 0.121 0.000 2.627 2377 S HA 0.398 4.868 4.470 0.000 0.000 0.283 2377 S C -0.126 174.608 174.600 0.223 0.000 1.127 2377 S CA -0.759 57.550 58.200 0.183 0.000 0.863 2377 S CB 2.592 65.944 63.200 0.253 0.000 1.121 2377 S HN -0.075 nan 8.310 nan 0.000 0.479 2378 R N 1.919 122.585 120.500 0.277 0.000 4.792 2378 R HA 0.223 4.563 4.340 0.000 0.000 0.205 2378 R C -0.330 176.247 176.300 0.463 0.000 1.875 2378 R CA -0.117 56.175 56.100 0.320 0.000 1.588 2378 R CB -0.381 30.080 30.300 0.268 0.000 1.401 2378 R HN 0.559 nan 8.270 nan 0.000 0.834 2379 S N -0.895 115.014 115.700 0.348 0.000 2.521 2379 S HA 0.800 5.270 4.470 0.000 0.000 0.295 2379 S C 0.174 174.847 174.600 0.122 0.000 1.098 2379 S CA -0.446 57.881 58.200 0.213 0.000 0.999 2379 S CB 2.261 65.421 63.200 -0.068 0.000 1.034 2379 S HN 0.516 nan 8.310 nan 0.000 0.483 2380 G N 0.661 109.531 108.800 0.117 0.000 2.819 2380 G HA2 0.041 4.001 3.960 0.000 0.000 0.682 2380 G HA3 0.041 4.001 3.960 0.000 0.000 0.682 2380 G C -1.260 173.779 174.900 0.231 0.000 1.481 2380 G CA -0.404 44.774 45.100 0.131 0.000 0.904 2380 G HN 1.535 nan 8.290 nan 0.000 0.563 2381 Y N 0.526 120.897 120.300 0.119 0.000 2.480 2381 Y HA 0.544 5.094 4.550 0.000 0.000 0.329 2381 Y C -0.444 175.524 175.900 0.112 0.000 1.127 2381 Y CA -0.171 58.003 58.100 0.125 0.000 1.037 2381 Y CB 1.671 40.240 38.460 0.182 0.000 1.320 2381 Y HN 1.021 nan 8.280 nan 0.000 0.446 2382 E N 5.414 125.424 120.200 -0.316 0.000 2.331 2382 E HA 0.526 4.876 4.350 0.000 0.000 0.275 2382 E C -1.637 174.894 176.600 -0.115 0.000 0.895 2382 E CA -1.220 55.137 56.400 -0.071 0.000 0.753 2382 E CB 2.251 31.912 29.700 -0.064 0.000 1.216 2382 E HN 0.348 nan 8.360 nan 0.000 0.434 2383 M N 3.003 122.650 119.600 0.078 0.000 2.264 2383 M HA 0.459 4.939 4.480 0.000 0.000 0.352 2383 M C -0.845 175.701 176.300 0.411 0.000 1.173 2383 M CA -0.747 54.638 55.300 0.142 0.000 1.075 2383 M CB 0.855 33.442 32.600 -0.021 0.000 1.621 2383 M HN 0.630 nan 8.290 nan 0.000 0.457 2384 L N 2.565 124.010 121.223 0.370 0.000 2.404 2384 L HA 0.471 4.811 4.340 0.000 0.000 0.272 2384 L C -0.134 176.642 176.870 -0.156 0.000 0.980 2384 L CA -0.718 54.185 54.840 0.105 0.000 0.836 2384 L CB 2.117 44.165 42.059 -0.018 0.000 1.238 2384 L HN 0.637 nan 8.230 nan 0.000 0.408 2385 K N 3.103 123.054 120.400 -0.749 0.000 2.292 2385 K HA 0.422 4.742 4.320 0.000 0.000 0.290 2385 K C -0.988 175.307 176.600 -0.508 0.000 1.083 2385 K CA -0.299 55.281 56.287 -1.179 0.000 0.918 2385 K CB 0.777 32.243 32.500 -1.723 0.000 1.089 2385 K HN 0.406 nan 8.250 nan 0.000 0.473 2386 V N 7.737 127.452 119.914 -0.332 0.000 2.276 2386 V HA 0.235 4.355 4.120 0.000 0.000 0.268 2386 V C -2.287 173.731 176.094 -0.127 0.000 1.032 2386 V CA -2.115 60.080 62.300 -0.175 0.000 0.810 2386 V CB 0.747 32.508 31.823 -0.105 0.000 1.060 2386 V HN 0.808 nan 8.190 nan 0.000 0.446 2387 P HA 0.096 nan 4.420 nan 0.000 0.262 2387 P C 0.567 177.843 177.300 -0.039 0.000 1.182 2387 P CA 0.690 63.745 63.100 -0.076 0.000 0.761 2387 P CB 0.185 31.842 31.700 -0.071 0.000 0.795 2388 N N 1.058 119.751 118.700 -0.012 0.000 2.800 2388 N HA -0.233 4.507 4.740 0.000 0.000 0.250 2388 N C 1.058 176.571 175.510 0.005 0.000 1.078 2388 N CA 1.130 54.182 53.050 0.004 0.000 0.804 2388 N CB -1.693 36.793 38.487 -0.002 0.000 1.135 2388 N HN 0.518 nan 8.380 nan 0.000 0.565 2389 A N 0.540 123.361 122.820 0.002 0.000 1.997 2389 A HA -0.241 4.079 4.320 0.000 0.000 0.221 2389 A C 2.045 179.643 177.584 0.023 0.000 1.172 2389 A CA 2.150 54.190 52.037 0.005 0.000 0.645 2389 A CB -0.363 18.638 19.000 0.002 0.000 0.813 2389 A HN 0.577 nan 8.150 nan 0.000 0.454 2390 E N -1.079 119.144 120.200 0.039 0.000 2.285 2390 E HA -0.098 4.252 4.350 0.000 0.000 0.194 2390 E C 1.582 178.204 176.600 0.037 0.000 0.997 2390 E CA 1.406 57.834 56.400 0.047 0.000 0.845 2390 E CB 0.087 29.826 29.700 0.065 0.000 0.782 2390 E HN 0.785 nan 8.360 nan 0.000 0.491 2391 T N -2.957 111.614 114.554 0.027 0.000 2.975 2391 T HA 0.082 4.432 4.350 0.000 0.000 0.261 2391 T C 0.063 174.771 174.700 0.013 0.000 0.984 2391 T CA -0.434 61.679 62.100 0.021 0.000 0.911 2391 T CB 0.505 69.385 68.868 0.020 0.000 1.127 2391 T HN -0.106 nan 8.240 nan 0.000 0.514 2392 D N 1.607 122.011 120.400 0.008 0.000 2.505 2392 D HA 0.313 4.953 4.640 0.000 0.000 0.250 2392 D C 1.305 177.603 176.300 -0.003 0.000 1.164 2392 D CA -1.056 52.944 54.000 0.000 0.000 0.870 2392 D CB 1.255 42.052 40.800 -0.004 0.000 1.160 2392 D HN 0.370 nan 8.370 nan 0.000 0.549 2393 I N 0.618 121.185 120.570 -0.005 0.000 2.700 2393 I HA -0.149 4.022 4.170 0.000 0.000 0.261 2393 I C 0.979 177.086 176.117 -0.016 0.000 1.219 2393 I CA 0.908 62.203 61.300 -0.010 0.000 1.463 2393 I CB -0.087 37.906 38.000 -0.012 0.000 1.092 2393 I HN 0.275 nan 8.210 nan 0.000 0.452 2394 Q N 1.764 121.554 119.800 -0.016 0.000 2.319 2394 Q HA 0.154 4.494 4.340 0.000 0.000 0.202 2394 Q C 0.655 176.641 176.000 -0.023 0.000 0.896 2394 Q CA 0.121 55.913 55.803 -0.020 0.000 0.942 2394 Q CB 0.349 29.077 28.738 -0.018 0.000 1.083 2394 Q HN 0.665 nan 8.270 nan 0.000 0.510 2395 S N 0.279 115.965 115.700 -0.023 0.000 2.515 2395 S HA 0.388 4.858 4.470 0.000 0.000 0.285 2395 S C 0.370 174.947 174.600 -0.039 0.000 1.265 2395 S CA -0.231 57.950 58.200 -0.031 0.000 1.079 2395 S CB 1.107 64.290 63.200 -0.028 0.000 0.877 2395 S HN 0.257 nan 8.310 nan 0.000 0.493 2396 G N 2.210 110.982 108.800 -0.046 0.000 2.735 2396 G HA2 0.690 4.650 3.960 0.000 0.000 0.301 2396 G HA3 0.690 4.650 3.960 0.000 0.000 0.301 2396 G C -3.269 171.587 174.900 -0.072 0.000 1.279 2396 G CA -2.254 42.815 45.100 -0.052 0.000 1.019 2396 G HN 0.556 nan 8.290 nan 0.000 0.497 2397 P HA 0.191 nan 4.420 nan 0.000 0.271 2397 P C 0.828 178.067 177.300 -0.101 0.000 1.220 2397 P CA -0.232 62.806 63.100 -0.102 0.000 0.768 2397 P CB 0.824 32.478 31.700 -0.076 0.000 0.848 2398 I N 0.335 120.817 120.570 -0.145 0.000 3.427 2398 I HA 0.163 4.333 4.170 0.000 0.000 0.288 2398 I C 0.305 176.362 176.117 -0.101 0.000 1.249 2398 I CA 0.233 61.464 61.300 -0.114 0.000 1.421 2398 I CB 0.065 37.996 38.000 -0.116 0.000 1.086 2398 I HN 0.233 nan 8.210 nan 0.000 0.448 2399 S N 1.000 116.612 115.700 -0.147 0.000 2.588 2399 S HA 0.631 5.101 4.470 0.000 0.000 0.269 2399 S C -1.034 173.564 174.600 -0.003 0.000 1.157 2399 S CA -0.744 57.424 58.200 -0.054 0.000 0.824 2399 S CB 1.568 64.770 63.200 0.003 0.000 1.126 2399 S HN 0.558 nan 8.310 nan 0.000 0.464 2400 N N -0.291 118.500 118.700 0.153 0.000 2.277 2400 N HA 0.531 5.271 4.740 0.000 0.000 0.286 2400 N C -1.601 174.113 175.510 0.341 0.000 1.140 2400 N CA -0.687 52.506 53.050 0.238 0.000 0.799 2400 N CB 2.090 40.657 38.487 0.132 0.000 1.596 2400 N HN 0.773 nan 8.380 nan 0.000 0.473 2401 Q N 1.821 121.862 119.800 0.401 0.000 2.290 2401 Q HA 0.376 4.716 4.340 0.000 0.000 0.269 2401 Q C -1.454 174.719 176.000 0.289 0.000 1.016 2401 Q CA -0.920 55.103 55.803 0.367 0.000 0.754 2401 Q CB 1.898 30.924 28.738 0.481 0.000 1.247 2401 Q HN 0.604 nan 8.270 nan 0.000 0.451 2402 V N 6.169 126.229 119.914 0.243 0.000 2.450 2402 V HA -0.033 4.087 4.120 0.000 0.000 0.281 2402 V C 0.975 177.253 176.094 0.307 0.000 1.019 2402 V CA 0.414 62.849 62.300 0.225 0.000 1.062 2402 V CB 0.394 32.319 31.823 0.170 0.000 0.979 2402 V HN 0.811 nan 8.190 nan 0.000 0.477 2403 I N 5.300 126.084 120.570 0.357 0.000 2.729 2403 I HA 0.147 4.317 4.170 0.000 0.000 0.256 2403 I C 0.603 176.975 176.117 0.426 0.000 1.115 2403 I CA 1.214 62.796 61.300 0.470 0.000 1.446 2403 I CB 0.067 38.414 38.000 0.578 0.000 1.176 2403 I HN 0.327 nan 8.210 nan 0.000 0.446 2404 V N 3.454 123.590 119.914 0.369 0.000 2.531 2404 V HA 0.277 4.397 4.120 0.000 0.000 0.301 2404 V C -0.404 175.808 176.094 0.196 0.000 1.034 2404 V CA -1.198 61.278 62.300 0.293 0.000 0.865 2404 V CB 1.510 33.520 31.823 0.311 0.000 0.995 2404 V HN 0.433 nan 8.190 nan 0.000 0.424 2405 N N 2.798 121.580 118.700 0.136 0.000 2.381 2405 N HA -0.037 4.703 4.740 0.000 0.000 0.241 2405 N C 0.584 176.088 175.510 -0.010 0.000 1.279 2405 N CA 0.074 53.153 53.050 0.049 0.000 0.896 2405 N CB 0.124 38.614 38.487 0.005 0.000 1.118 2405 N HN 0.697 nan 8.380 nan 0.000 0.438 2406 N N -0.325 118.354 118.700 -0.036 0.000 2.575 2406 N HA -0.075 4.665 4.740 0.000 0.000 0.192 2406 N C 0.138 175.543 175.510 -0.175 0.000 1.200 2406 N CA 0.075 53.077 53.050 -0.080 0.000 0.897 2406 N CB 0.069 38.525 38.487 -0.052 0.000 0.990 2406 N HN 0.590 nan 8.380 nan 0.000 0.449 2407 Q N -0.493 119.185 119.800 -0.203 0.000 2.319 2407 Q HA 0.137 4.478 4.340 0.000 0.000 0.202 2407 Q C -0.661 175.084 176.000 -0.424 0.000 0.896 2407 Q CA 0.231 55.857 55.803 -0.296 0.000 0.942 2407 Q CB 0.522 29.120 28.738 -0.233 0.000 1.083 2407 Q HN 0.261 nan 8.270 nan 0.000 0.510 2408 N N -0.732 117.750 118.700 -0.364 0.000 2.238 2408 N HA 0.293 5.033 4.740 0.000 0.000 0.302 2408 N C -1.625 173.741 175.510 -0.240 0.000 1.072 2408 N CA -0.651 52.203 53.050 -0.327 0.000 0.792 2408 N CB 1.084 39.514 38.487 -0.095 0.000 1.425 2408 N HN 0.060 nan 8.380 nan 0.000 0.478 2409 W N 1.166 122.518 121.300 0.086 0.000 2.190 2409 W HA 0.299 4.959 4.660 0.000 0.000 0.330 2409 W C 1.107 177.715 176.519 0.148 0.000 1.299 2409 W CA -0.321 57.087 57.345 0.104 0.000 1.215 2409 W CB 0.544 30.051 29.460 0.080 0.000 1.147 2409 W HN 0.525 nan 8.180 nan 0.000 0.563 2410 S N 1.623 117.591 115.700 0.447 0.000 3.565 2410 S HA 0.980 5.450 4.470 0.000 0.000 0.242 2410 S C 0.185 174.984 174.600 0.331 0.000 1.023 2410 S CA -0.124 58.294 58.200 0.362 0.000 1.300 2410 S CB 1.380 64.823 63.200 0.405 0.000 1.198 2410 S HN 0.927 nan 8.310 nan 0.000 0.697 2411 G N -0.670 108.329 108.800 0.332 0.000 2.512 2411 G HA2 0.337 4.297 3.960 0.000 0.000 0.181 2411 G HA3 0.337 4.297 3.960 0.000 0.000 0.181 2411 G C -1.720 173.444 174.900 0.440 0.000 1.173 2411 G CA -0.706 44.584 45.100 0.318 0.000 0.988 2411 G HN 0.536 nan 8.290 nan 0.000 0.485 2412 Y N 1.559 121.986 120.300 0.212 0.000 2.426 2412 Y HA 0.540 5.090 4.550 0.000 0.000 0.344 2412 Y C 1.233 177.237 175.900 0.173 0.000 1.256 2412 Y CA -0.335 57.899 58.100 0.224 0.000 1.451 2412 Y CB 1.100 39.720 38.460 0.266 0.000 1.342 2412 Y HN 0.791 nan 8.280 nan 0.000 0.600 2413 S N -0.296 115.513 115.700 0.181 0.000 2.579 2413 S HA 0.939 5.409 4.470 0.000 0.000 0.272 2413 S C -0.548 173.892 174.600 -0.267 0.000 1.141 2413 S CA -0.406 57.675 58.200 -0.199 0.000 0.843 2413 S CB 2.159 65.285 63.200 -0.123 0.000 1.122 2413 S HN 1.042 nan 8.310 nan 0.000 0.468 2414 G N -0.416 107.855 108.800 -0.883 0.000 2.623 2414 G HA2 0.763 4.723 3.960 0.000 0.000 0.290 2414 G HA3 0.763 4.723 3.960 0.000 0.000 0.290 2414 G C -1.296 173.245 174.900 -0.598 0.000 1.437 2414 G CA -0.320 44.508 45.100 -0.454 0.000 0.798 2414 G HN 1.264 nan 8.290 nan 0.000 0.488 2415 A N -0.322 122.354 122.820 -0.240 0.000 2.312 2415 A HA 0.955 5.275 4.320 0.000 0.000 0.326 2415 A C -0.686 177.043 177.584 0.242 0.000 1.172 2415 A CA -0.543 51.376 52.037 -0.197 0.000 0.821 2415 A CB 0.463 19.290 19.000 -0.288 0.000 1.166 2415 A HN 1.890 nan 8.150 nan 0.000 0.493 2416 F N -0.268 119.773 119.950 0.151 0.000 2.645 2416 F HA 0.856 5.383 4.527 0.000 0.000 0.310 2416 F C -1.354 174.511 175.800 0.109 0.000 1.102 2416 F CA -1.411 56.692 58.000 0.171 0.000 0.952 2416 F CB 1.199 40.294 39.000 0.158 0.000 1.326 2416 F HN 0.394 nan 8.300 nan 0.000 0.456 2417 I N 1.478 122.029 120.570 -0.031 0.000 2.656 2417 I HA 0.208 4.378 4.170 0.000 0.000 0.292 2417 I C -1.312 174.589 176.117 -0.361 0.000 1.144 2417 I CA -0.737 60.278 61.300 -0.474 0.000 1.038 2417 I CB 2.062 39.472 38.000 -0.983 0.000 1.244 2417 I HN 0.638 nan 8.210 nan 0.000 0.420 2418 D N 5.078 125.380 120.400 -0.162 0.000 2.498 2418 D HA 0.048 4.688 4.640 0.000 0.000 0.229 2418 D C 0.636 176.869 176.300 -0.112 0.000 1.188 2418 D CA 0.302 54.337 54.000 0.058 0.000 1.028 2418 D CB 0.139 41.032 40.800 0.155 0.000 1.087 2418 D HN 0.282 nan 8.370 nan 0.000 0.510 2419 Y N 0.826 121.007 120.300 -0.198 0.000 2.569 2419 Y HA -0.066 4.485 4.550 0.000 0.000 0.293 2419 Y C 1.439 177.042 175.900 -0.496 0.000 1.144 2419 Y CA 0.533 58.200 58.100 -0.721 0.000 1.321 2419 Y CB 0.049 37.632 38.460 -1.461 0.000 0.982 2419 Y HN 0.558 nan 8.280 nan 0.000 0.558 2420 W N -0.481 120.935 121.300 0.193 0.000 3.132 2420 W HA 0.535 5.195 4.660 0.000 0.000 0.364 2420 W C 0.704 177.297 176.519 0.124 0.000 1.129 2420 W CA -0.401 57.043 57.345 0.164 0.000 1.815 2420 W CB -0.350 29.176 29.460 0.110 0.000 1.099 2420 W HN -0.156 nan 8.180 nan 0.000 0.605 2421 A N 1.527 124.503 122.820 0.260 0.000 2.507 2421 A HA -0.093 4.227 4.320 0.000 0.000 0.235 2421 A C 0.660 178.334 177.584 0.149 0.000 1.070 2421 A CA 0.204 52.345 52.037 0.172 0.000 0.768 2421 A CB -0.056 19.015 19.000 0.119 0.000 1.011 2421 A HN 0.347 nan 8.150 nan 0.000 0.502 2422 N N 1.454 120.219 118.700 0.109 0.000 3.050 2422 N HA 0.129 4.869 4.740 0.000 0.000 0.289 2422 N C -0.641 174.900 175.510 0.053 0.000 1.209 2422 N CA 0.163 53.262 53.050 0.082 0.000 1.154 2422 N CB -0.263 38.264 38.487 0.067 0.000 1.444 2422 N HN 0.513 nan 8.380 nan 0.000 0.529 2423 K N 0.703 121.134 120.400 0.052 0.000 2.532 2423 K HA 0.125 4.445 4.320 0.000 0.000 0.265 2423 K C -0.191 176.405 176.600 -0.008 0.000 0.948 2423 K CA -0.642 55.657 56.287 0.019 0.000 0.842 2423 K CB 1.482 33.995 32.500 0.022 0.000 1.392 2423 K HN 0.149 nan 8.250 nan 0.000 0.436 2424 E N -0.398 119.780 120.200 -0.038 0.000 2.502 2424 E HA 0.011 4.361 4.350 0.000 0.000 0.194 2424 E C 0.455 176.967 176.600 -0.148 0.000 1.062 2424 E CA 0.036 56.390 56.400 -0.077 0.000 0.867 2424 E CB -0.431 29.234 29.700 -0.058 0.000 0.888 2424 E HN 0.528 nan 8.360 nan 0.000 0.510 2425 c N -1.177 117.343 118.600 -0.133 0.000 2.971 2425 c HA 0.726 5.296 4.570 0.000 0.000 0.310 2425 c C -0.582 173.452 174.090 -0.092 0.000 1.285 2425 c CA -1.495 54.724 56.329 -0.183 0.000 1.593 2425 c CB 0.427 42.878 42.510 -0.099 0.000 2.076 2425 c HN 0.030 nan 8.230 nan 0.000 0.472 2426 F N 2.593 122.527 119.950 -0.026 0.000 2.421 2426 F HA 0.374 4.901 4.527 0.000 0.000 0.358 2426 F C 0.903 176.608 175.800 -0.159 0.000 1.115 2426 F CA -0.552 57.402 58.000 -0.077 0.000 1.160 2426 F CB 0.069 39.080 39.000 0.019 0.000 1.123 2426 F HN 0.710 nan 8.300 nan 0.000 0.508 2427 N N 5.348 124.041 118.700 -0.012 0.000 2.419 2427 N HA 0.244 4.984 4.740 0.000 0.000 0.264 2427 N C -2.724 172.592 175.510 -0.323 0.000 1.031 2427 N CA -1.553 51.397 53.050 -0.167 0.000 0.951 2427 N CB 1.184 39.594 38.487 -0.128 0.000 1.101 2427 N HN 0.136 nan 8.380 nan 0.000 0.488 2428 P HA 0.062 nan 4.420 nan 0.000 0.264 2428 P C -0.683 176.387 177.300 -0.383 0.000 1.193 2428 P CA -0.164 62.402 63.100 -0.890 0.000 0.763 2428 P CB 0.525 31.378 31.700 -1.412 0.000 0.810 2429 c N 3.591 121.956 118.600 -0.392 0.000 2.971 2429 c HA 0.857 5.427 4.570 0.000 0.000 0.310 2429 c C -0.514 173.300 174.090 -0.460 0.000 1.285 2429 c CA -0.330 55.676 56.329 -0.538 0.000 1.593 2429 c CB 0.979 42.666 42.510 -1.372 0.000 2.076 2429 c HN 0.672 nan 8.230 nan 0.000 0.472 2430 F N 0.002 119.613 119.950 -0.564 0.000 2.668 2430 F HA 0.764 5.291 4.527 0.000 0.000 0.309 2430 F C -1.227 174.494 175.800 -0.132 0.000 1.117 2430 F CA -1.194 56.471 58.000 -0.558 0.000 0.951 2430 F CB 0.782 39.090 39.000 -1.152 0.000 1.323 2430 F HN 0.722 nan 8.300 nan 0.000 0.451 2431 Y N 0.258 120.586 120.300 0.046 0.000 2.549 2431 Y HA 0.884 5.434 4.550 0.000 0.000 0.339 2431 Y C -1.777 174.137 175.900 0.023 0.000 1.053 2431 Y CA -1.948 56.131 58.100 -0.036 0.000 1.105 2431 Y CB 1.559 40.029 38.460 0.017 0.000 1.258 2431 Y HN 0.576 nan 8.280 nan 0.000 0.478 2432 V N 2.302 122.263 119.914 0.078 0.000 2.487 2432 V HA 0.254 4.374 4.120 0.000 0.000 0.298 2432 V C -0.440 175.813 176.094 0.265 0.000 1.028 2432 V CA -0.992 61.335 62.300 0.044 0.000 0.860 2432 V CB 1.391 33.163 31.823 -0.085 0.000 0.991 2432 V HN 0.897 nan 8.190 nan 0.000 0.427 2433 E N 5.093 125.497 120.200 0.340 0.000 2.259 2433 E HA 0.383 4.733 4.350 0.000 0.000 0.281 2433 E C -1.249 175.489 176.600 0.230 0.000 1.037 2433 E CA -0.485 56.087 56.400 0.288 0.000 0.854 2433 E CB 0.826 30.710 29.700 0.306 0.000 1.051 2433 E HN 0.631 nan 8.360 nan 0.000 0.409 2434 L N 6.892 128.237 121.223 0.202 0.000 2.297 2434 L HA 0.398 4.738 4.340 0.000 0.000 0.277 2434 L C -0.183 176.807 176.870 0.201 0.000 1.040 2434 L CA -0.544 54.428 54.840 0.220 0.000 0.867 2434 L CB 0.614 42.803 42.059 0.216 0.000 1.244 2434 L HN 0.530 nan 8.230 nan 0.000 0.433 2435 I N 3.778 124.466 120.570 0.197 0.000 2.474 2435 I HA 0.327 4.497 4.170 0.000 0.000 0.287 2435 I C 0.137 176.318 176.117 0.107 0.000 1.048 2435 I CA -0.356 61.016 61.300 0.120 0.000 1.383 2435 I CB 0.584 38.612 38.000 0.047 0.000 1.412 2435 I HN 0.491 nan 8.210 nan 0.000 0.531 2436 R N 4.103 124.667 120.500 0.107 0.000 2.686 2436 R HA 0.763 5.103 4.340 0.000 0.000 0.286 2436 R C 0.097 176.368 176.300 -0.047 0.000 0.969 2436 R CA -0.540 55.617 56.100 0.095 0.000 0.898 2436 R CB 1.478 31.935 30.300 0.261 0.000 1.183 2436 R HN 0.918 nan 8.270 nan 0.000 0.456 2437 G N 1.947 110.511 108.800 -0.394 0.000 2.508 2437 G HA2 -0.238 3.723 3.960 0.000 0.000 0.220 2437 G HA3 -0.238 3.723 3.960 0.000 0.000 0.220 2437 G C -0.849 173.796 174.900 -0.426 0.000 1.287 2437 G CA -0.757 43.943 45.100 -0.667 0.000 0.916 2437 G HN 0.520 nan 8.290 nan 0.000 0.574 2438 R N 1.380 121.670 120.500 -0.350 0.000 2.643 2438 R HA 0.296 4.636 4.340 0.000 0.000 0.270 2438 R C -1.148 175.022 176.300 -0.216 0.000 1.061 2438 R CA -0.596 55.351 56.100 -0.256 0.000 1.107 2438 R CB 0.771 30.959 30.300 -0.186 0.000 0.999 2438 R HN 0.435 nan 8.270 nan 0.000 0.460 2439 P HA -0.052 nan 4.420 nan 0.000 0.230 2439 P C 0.253 177.388 177.300 -0.275 0.000 1.168 2439 P CA 0.887 63.866 63.100 -0.201 0.000 0.793 2439 P CB 0.332 31.944 31.700 -0.148 0.000 0.851 2440 K N 0.421 120.557 120.400 -0.440 0.000 2.283 2440 K HA -0.020 4.300 4.320 0.000 0.000 0.202 2440 K C 0.591 176.950 176.600 -0.403 0.000 1.048 2440 K CA 0.857 56.782 56.287 -0.604 0.000 0.948 2440 K CB 0.050 31.684 32.500 -1.443 0.000 0.742 2440 K HN 0.399 nan 8.250 nan 0.000 0.458 2441 E N 0.602 120.587 120.200 -0.359 0.000 2.873 2441 E HA 0.080 4.430 4.350 0.000 0.000 0.232 2441 E C -0.472 175.967 176.600 -0.267 0.000 1.123 2441 E CA -0.126 56.129 56.400 -0.241 0.000 0.809 2441 E CB 1.083 30.633 29.700 -0.249 0.000 1.366 2441 E HN 0.029 nan 8.360 nan 0.000 0.400 2442 S N -0.462 115.123 115.700 -0.191 0.000 2.583 2442 S HA -0.028 4.442 4.470 0.000 0.000 0.239 2442 S C 1.535 176.044 174.600 -0.151 0.000 0.966 2442 S CA -0.195 57.892 58.200 -0.188 0.000 0.973 2442 S CB 0.081 63.197 63.200 -0.140 0.000 0.794 2442 S HN 0.285 nan 8.310 nan 0.000 0.463 2443 S N 1.047 116.663 115.700 -0.140 0.000 2.555 2443 S HA 0.113 4.583 4.470 0.000 0.000 0.230 2443 S C 0.739 175.257 174.600 -0.136 0.000 0.978 2443 S CA 0.215 58.355 58.200 -0.100 0.000 0.934 2443 S CB -0.852 62.317 63.200 -0.053 0.000 0.766 2443 S HN 0.810 nan 8.310 nan 0.000 0.533 2444 V N -2.229 117.512 119.914 -0.288 0.000 3.019 2444 V HA 0.634 4.754 4.120 0.000 0.000 0.317 2444 V C 0.710 176.560 176.094 -0.406 0.000 1.094 2444 V CA -1.057 60.985 62.300 -0.430 0.000 1.000 2444 V CB 1.307 32.550 31.823 -0.966 0.000 1.060 2444 V HN 0.078 nan 8.190 nan 0.000 0.443 2445 L N 2.033 123.091 121.223 -0.275 0.000 2.607 2445 L HA 0.363 4.704 4.340 0.000 0.000 0.228 2445 L C 0.486 177.342 176.870 -0.025 0.000 1.123 2445 L CA 0.201 54.983 54.840 -0.097 0.000 0.890 2445 L CB -0.539 41.534 42.059 0.023 0.000 1.103 2445 L HN 0.871 nan 8.230 nan 0.000 0.468 2446 W N -1.679 119.593 121.300 -0.047 0.000 2.762 2446 W HA 0.683 5.343 4.660 0.000 0.000 0.355 2446 W C -0.963 175.505 176.519 -0.086 0.000 1.124 2446 W CA -0.830 56.481 57.345 -0.056 0.000 1.141 2446 W CB 0.648 30.068 29.460 -0.066 0.000 1.432 2446 W HN -0.300 nan 8.180 nan 0.000 0.586 2447 T N 1.556 116.315 114.554 0.341 0.000 2.879 2447 T HA 0.437 4.787 4.350 0.000 0.000 0.290 2447 T C -0.852 174.028 174.700 0.300 0.000 0.993 2447 T CA -0.209 62.033 62.100 0.236 0.000 0.975 2447 T CB 2.105 71.011 68.868 0.064 0.000 0.981 2447 T HN 0.523 nan 8.240 nan 0.000 0.439 2448 S N 2.145 118.037 115.700 0.320 0.000 2.973 2448 S HA 0.828 5.298 4.470 0.000 0.000 0.317 2448 S C -1.642 173.023 174.600 0.108 0.000 1.196 2448 S CA -0.752 57.525 58.200 0.128 0.000 0.894 2448 S CB 1.286 64.453 63.200 -0.056 0.000 1.292 2448 S HN 1.015 nan 8.310 nan 0.000 0.614 2449 N N -0.820 117.912 118.700 0.054 0.000 2.927 2449 N HA 0.586 5.326 4.740 0.000 0.000 0.248 2449 N C -1.152 174.396 175.510 0.063 0.000 1.443 2449 N CA -0.457 52.641 53.050 0.081 0.000 0.870 2449 N CB 1.502 40.039 38.487 0.083 0.000 1.444 2449 N HN 0.646 nan 8.380 nan 0.000 0.519 2450 S N -0.180 115.580 115.700 0.101 0.000 2.751 2450 S HA 0.762 5.232 4.470 0.000 0.000 0.310 2450 S C -0.859 173.818 174.600 0.127 0.000 1.128 2450 S CA -0.838 57.424 58.200 0.102 0.000 0.931 2450 S CB 0.814 64.077 63.200 0.105 0.000 1.177 2450 S HN 0.565 nan 8.310 nan 0.000 0.530 2451 I N 0.759 121.403 120.570 0.123 0.000 2.608 2451 I HA 0.649 4.819 4.170 0.000 0.000 0.295 2451 I C -1.098 175.066 176.117 0.078 0.000 1.049 2451 I CA -1.090 60.277 61.300 0.111 0.000 1.063 2451 I CB 2.122 40.166 38.000 0.073 0.000 1.248 2451 I HN 0.528 nan 8.210 nan 0.000 0.424 2452 V N 4.872 124.826 119.914 0.066 0.000 2.735 2452 V HA 0.922 5.042 4.120 0.000 0.000 0.310 2452 V C -0.898 175.141 176.094 -0.091 0.000 1.061 2452 V CA -0.198 62.078 62.300 -0.039 0.000 0.913 2452 V CB 1.871 33.672 31.823 -0.037 0.000 1.005 2452 V HN 0.861 nan 8.190 nan 0.000 0.428 2453 A N 6.087 128.787 122.820 -0.199 0.000 2.414 2453 A HA 0.969 5.289 4.320 0.000 0.000 0.306 2453 A C -1.771 175.549 177.584 -0.440 0.000 1.054 2453 A CA -0.567 51.344 52.037 -0.210 0.000 0.724 2453 A CB 1.682 20.704 19.000 0.037 0.000 1.267 2453 A HN 0.817 nan 8.150 nan 0.000 0.418 2454 L N 0.407 121.185 121.223 -0.743 0.000 2.393 2454 L HA 0.710 5.050 4.340 0.000 0.000 0.260 2454 L C -0.535 176.048 176.870 -0.479 0.000 1.002 2454 L CA -0.150 54.294 54.840 -0.660 0.000 0.818 2454 L CB 2.110 43.793 42.059 -0.626 0.000 1.369 2454 L HN 0.810 nan 8.230 nan 0.000 0.412 2455 c N -0.073 118.254 118.600 -0.455 0.000 2.848 2455 c HA 0.861 5.431 4.570 0.000 0.000 0.317 2455 c C 0.757 174.726 174.090 -0.202 0.000 1.260 2455 c CA -0.982 55.202 56.329 -0.241 0.000 1.656 2455 c CB 1.559 43.878 42.510 -0.319 0.000 2.174 2455 c HN 0.942 nan 8.230 nan 0.000 0.479 2456 G N 0.769 109.332 108.800 -0.394 0.000 2.569 2456 G HA2 0.479 4.440 3.960 0.000 0.000 0.249 2456 G HA3 0.479 4.440 3.960 0.000 0.000 0.249 2456 G C -0.435 174.249 174.900 -0.360 0.000 1.216 2456 G CA 0.161 44.758 45.100 -0.838 0.000 0.845 2456 G HN 0.870 nan 8.290 nan 0.000 0.568 2457 S N -0.787 114.686 115.700 -0.379 0.000 2.542 2457 S HA 0.370 4.840 4.470 0.000 0.000 0.293 2457 S C 0.945 175.439 174.600 -0.176 0.000 1.089 2457 S CA -0.810 57.292 58.200 -0.164 0.000 0.961 2457 S CB 1.716 64.881 63.200 -0.058 0.000 1.062 2457 S HN 0.539 nan 8.310 nan 0.000 0.483 2458 K N 1.388 121.723 120.400 -0.108 0.000 2.365 2458 K HA 0.073 4.393 4.320 0.000 0.000 0.199 2458 K C 0.426 177.002 176.600 -0.039 0.000 1.045 2458 K CA 0.656 56.902 56.287 -0.069 0.000 0.962 2458 K CB 0.059 32.529 32.500 -0.051 0.000 0.759 2458 K HN 0.421 nan 8.250 nan 0.000 0.469 2459 K N 1.235 121.612 120.400 -0.038 0.000 2.120 2459 K HA 0.156 4.476 4.320 0.000 0.000 0.245 2459 K C 0.215 176.818 176.600 0.006 0.000 1.024 2459 K CA -0.313 55.965 56.287 -0.014 0.000 0.906 2459 K CB 0.544 33.036 32.500 -0.014 0.000 1.051 2459 K HN -0.121 nan 8.250 nan 0.000 0.491 2460 R N 2.118 122.632 120.500 0.023 0.000 2.391 2460 R HA 0.317 4.658 4.340 0.000 0.000 0.310 2460 R C -0.109 176.221 176.300 0.050 0.000 1.174 2460 R CA -0.276 55.852 56.100 0.048 0.000 1.118 2460 R CB -0.655 29.674 30.300 0.049 0.000 1.134 2460 R HN 0.421 nan 8.270 nan 0.000 0.524 2461 L N 0.663 121.925 121.223 0.064 0.000 2.334 2461 L HA 0.529 4.869 4.340 0.000 0.000 0.275 2461 L C 1.330 178.258 176.870 0.097 0.000 1.036 2461 L CA -0.945 53.938 54.840 0.071 0.000 0.807 2461 L CB 1.389 43.500 42.059 0.087 0.000 1.231 2461 L HN 0.470 nan 8.230 nan 0.000 0.438 2462 G N 0.815 109.658 108.800 0.072 0.000 2.634 2462 G HA2 0.474 4.434 3.960 0.000 0.000 0.255 2462 G HA3 0.474 4.434 3.960 0.000 0.000 0.255 2462 G C -0.369 174.599 174.900 0.114 0.000 1.205 2462 G CA -0.076 45.067 45.100 0.072 0.000 0.884 2462 G HN 0.702 nan 8.290 nan 0.000 0.549 2463 S N -0.744 115.033 115.700 0.128 0.000 2.607 2463 S HA 0.788 5.259 4.470 0.000 0.000 0.273 2463 S C -1.159 173.561 174.600 0.200 0.000 1.148 2463 S CA -0.817 57.510 58.200 0.211 0.000 0.833 2463 S CB 1.972 65.356 63.200 0.308 0.000 1.130 2463 S HN 1.405 nan 8.310 nan 0.000 0.470 2464 W N 0.069 121.320 121.300 -0.082 0.000 3.165 2464 W HA 0.817 5.477 4.660 0.000 0.000 0.351 2464 W C -0.797 175.518 176.519 -0.340 0.000 1.164 2464 W CA -1.347 55.870 57.345 -0.215 0.000 1.074 2464 W CB 0.505 29.794 29.460 -0.286 0.000 1.499 2464 W HN 0.857 nan 8.180 nan 0.000 0.600 2465 S N 0.043 115.628 115.700 -0.193 0.000 2.499 2465 S HA 0.396 4.867 4.470 0.000 0.000 0.279 2465 S C -1.247 172.989 174.600 -0.606 0.000 1.219 2465 S CA -0.343 57.764 58.200 -0.155 0.000 1.062 2465 S CB 0.022 63.295 63.200 0.122 0.000 0.978 2465 S HN 0.388 nan 8.310 nan 0.000 0.489 2466 W N 5.352 126.594 121.300 -0.096 0.000 2.102 2466 W HA 0.275 4.935 4.660 0.000 0.000 0.357 2466 W C 0.648 177.082 176.519 -0.143 0.000 0.717 2466 W CA -0.921 56.310 57.345 -0.190 0.000 2.518 2466 W CB -0.383 29.075 29.460 -0.004 0.000 2.010 2466 W HN 0.813 nan 8.180 nan 0.000 0.672 2467 H N -2.431 116.688 119.070 0.082 0.000 2.730 2467 H HA 0.054 4.610 4.556 0.000 0.000 0.376 2467 H C 1.320 176.713 175.328 0.109 0.000 1.299 2467 H CA 0.384 56.483 56.048 0.085 0.000 1.447 2467 H CB 0.813 30.578 29.762 0.004 0.000 1.493 2467 H HN 0.136 nan 8.280 nan 0.000 0.619 2468 D N -0.396 120.153 120.400 0.248 0.000 2.084 2468 D HA -0.064 4.577 4.640 0.000 0.000 0.194 2468 D C 1.714 178.120 176.300 0.175 0.000 0.990 2468 D CA 2.524 56.644 54.000 0.199 0.000 0.826 2468 D CB -0.422 40.510 40.800 0.219 0.000 0.971 2468 D HN 0.979 nan 8.370 nan 0.000 0.453 2469 G N -0.972 107.962 108.800 0.224 0.000 2.179 2469 G HA2 -0.083 3.877 3.960 0.000 0.000 0.220 2469 G HA3 -0.083 3.877 3.960 0.000 0.000 0.220 2469 G C 0.311 175.319 174.900 0.181 0.000 0.990 2469 G CA 0.325 45.542 45.100 0.195 0.000 0.646 2469 G HN 0.738 nan 8.290 nan 0.000 0.517 2470 A N 0.088 123.036 122.820 0.213 0.000 2.316 2470 A HA 0.684 5.004 4.320 0.000 0.000 0.284 2470 A C 0.182 177.895 177.584 0.214 0.000 1.115 2470 A CA -0.225 51.972 52.037 0.267 0.000 0.812 2470 A CB 0.558 19.778 19.000 0.367 0.000 1.064 2470 A HN 0.177 nan 8.150 nan 0.000 0.489 2471 E N 1.782 122.083 120.200 0.169 0.000 2.115 2471 E HA 0.180 4.530 4.350 0.000 0.000 0.282 2471 E C 0.525 177.197 176.600 0.121 0.000 0.987 2471 E CA -0.409 55.962 56.400 -0.048 0.000 0.797 2471 E CB 1.431 30.761 29.700 -0.617 0.000 1.086 2471 E HN 0.592 nan 8.360 nan 0.000 0.397 2472 I N 3.918 124.578 120.570 0.150 0.000 2.361 2472 I HA -0.250 3.920 4.170 0.000 0.000 0.251 2472 I C 1.615 177.868 176.117 0.227 0.000 1.133 2472 I CA 0.866 62.317 61.300 0.252 0.000 1.413 2472 I CB 0.074 38.143 38.000 0.114 0.000 1.073 2472 I HN 0.496 nan 8.210 nan 0.000 0.424 2473 I N -0.229 120.369 120.570 0.046 0.000 2.315 2473 I HA -0.354 3.816 4.170 0.000 0.000 0.251 2473 I C 2.340 178.543 176.117 0.144 0.000 1.125 2473 I CA 1.765 63.086 61.300 0.035 0.000 1.392 2473 I CB -1.997 35.968 38.000 -0.058 0.000 1.065 2473 I HN 0.353 nan 8.210 nan 0.000 0.424 2474 Y N -0.517 119.825 120.300 0.069 0.000 2.403 2474 Y HA -0.198 4.352 4.550 0.000 0.000 0.291 2474 Y C 2.177 177.982 175.900 -0.159 0.000 1.143 2474 Y CA 0.457 58.510 58.100 -0.079 0.000 1.257 2474 Y CB -0.316 38.030 38.460 -0.190 0.000 0.984 2474 Y HN 0.033 nan 8.280 nan 0.000 0.550 2475 F N -0.174 119.938 119.950 0.270 0.000 2.727 2475 F HA 0.092 4.619 4.527 0.000 0.000 0.302 2475 F C 0.866 176.774 175.800 0.181 0.000 1.097 2475 F CA -0.151 58.009 58.000 0.268 0.000 1.330 2475 F CB 0.107 39.370 39.000 0.438 0.000 1.084 2475 F HN -0.042 nan 8.300 nan 0.000 0.578 2476 E N 0.000 120.352 120.200 0.253 0.000 2.725 2476 E HA 0.000 4.350 4.350 0.000 0.000 0.291 2476 E CA 0.000 56.492 56.400 0.152 0.000 0.976 2476 E CB 0.000 29.762 29.700 0.103 0.000 0.812 2476 E HN 0.000 nan 8.360 nan 0.000 0.440