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 1w1x_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 0.000 176.305 176.300 0.008 0.000 0.893 2088 R CA 0.000 56.120 56.100 0.034 0.000 0.921 2088 R CB 0.000 30.309 30.300 0.014 0.000 0.687 2089 T N -1.161 113.424 114.554 0.052 0.000 2.812 2089 T HA 0.566 4.916 4.350 0.000 0.000 0.294 2089 T C -0.065 174.697 174.700 0.104 0.000 1.159 2089 T CA -0.827 61.271 62.100 -0.003 0.000 1.008 2089 T CB 1.110 70.018 68.868 0.065 0.000 1.289 2089 T HN 0.246 nan 8.240 nan 0.000 0.514 2090 F N 1.033 121.068 119.950 0.143 0.000 2.529 2090 F HA 0.308 4.835 4.527 0.000 0.000 0.365 2090 F C 0.833 176.723 175.800 0.149 0.000 1.102 2090 F CA -1.101 56.987 58.000 0.148 0.000 1.271 2090 F CB 0.542 39.584 39.000 0.071 0.000 1.120 2090 F HN 0.390 nan 8.300 nan 0.000 0.579 2091 L N 5.276 126.750 121.223 0.418 0.000 2.455 2091 L HA 0.176 4.516 4.340 0.000 0.000 0.272 2091 L C -0.643 176.290 176.870 0.105 0.000 1.174 2091 L CA -0.069 54.902 54.840 0.218 0.000 0.869 2091 L CB -0.066 42.072 42.059 0.133 0.000 1.130 2091 L HN 0.436 nan 8.230 nan 0.000 0.474 2092 N N 5.388 124.155 118.700 0.111 0.000 2.342 2092 N HA 0.345 5.085 4.740 0.000 0.000 0.293 2092 N C -0.619 175.093 175.510 0.337 0.000 1.026 2092 N CA -0.399 52.753 53.050 0.169 0.000 0.857 2092 N CB 1.840 40.397 38.487 0.117 0.000 1.256 2092 N HN 0.614 nan 8.380 nan 0.000 0.484 2093 L N 1.517 123.043 121.223 0.505 0.000 2.672 2093 L HA 0.114 4.454 4.340 0.000 0.000 0.238 2093 L C 1.605 178.697 176.870 0.370 0.000 1.392 2093 L CA -0.081 54.995 54.840 0.392 0.000 1.238 2093 L CB -0.947 41.171 42.059 0.098 0.000 1.548 2093 L HN 0.642 nan 8.230 nan 0.000 0.423 2094 T N -3.680 111.063 114.554 0.315 0.000 3.085 2094 T HA 0.028 4.378 4.350 0.000 0.000 0.263 2094 T C 0.854 175.533 174.700 -0.035 0.000 1.127 2094 T CA 0.318 62.495 62.100 0.129 0.000 1.103 2094 T CB 0.030 68.957 68.868 0.098 0.000 0.921 2094 T HN 0.300 nan 8.240 nan 0.000 0.510 2095 K N 2.245 122.478 120.400 -0.278 0.000 2.118 2095 K HA 0.488 4.809 4.320 0.000 0.000 0.254 2095 K C -2.716 173.671 176.600 -0.354 0.000 0.961 2095 K CA -2.592 53.349 56.287 -0.578 0.000 0.876 2095 K CB 1.219 32.948 32.500 -1.285 0.000 1.077 2095 K HN 0.083 nan 8.250 nan 0.000 0.440 2096 P HA 0.145 nan 4.420 nan 0.000 0.276 2096 P C -0.443 176.864 177.300 0.012 0.000 1.261 2096 P CA -0.483 62.599 63.100 -0.031 0.000 0.800 2096 P CB 0.634 32.318 31.700 -0.026 0.000 1.066 2097 L N 0.506 121.801 121.223 0.120 0.000 2.416 2097 L HA 0.104 4.444 4.340 0.000 0.000 0.272 2097 L C 0.744 177.617 176.870 0.006 0.000 1.161 2097 L CA -0.308 54.591 54.840 0.098 0.000 0.845 2097 L CB 0.119 42.245 42.059 0.113 0.000 1.119 2097 L HN 0.421 nan 8.230 nan 0.000 0.464 2098 c N 2.288 120.862 118.600 -0.042 0.000 2.689 2098 c HA 0.034 4.604 4.570 0.000 0.000 0.409 2098 c C 0.896 174.942 174.090 -0.074 0.000 1.293 2098 c CA -0.615 55.672 56.329 -0.070 0.000 2.136 2098 c CB -0.011 42.439 42.510 -0.099 0.000 2.719 2098 c HN 0.753 nan 8.230 nan 0.000 0.644 2099 E N 0.944 121.111 120.200 -0.054 0.000 2.384 2099 E HA 0.326 4.676 4.350 0.000 0.000 0.266 2099 E C -1.239 175.311 176.600 -0.084 0.000 1.012 2099 E CA -0.067 56.314 56.400 -0.031 0.000 0.901 2099 E CB 0.567 30.259 29.700 -0.014 0.000 0.967 2099 E HN 0.510 nan 8.360 nan 0.000 0.435 2100 V N 5.373 125.263 119.914 -0.040 0.000 2.483 2100 V HA 0.197 4.318 4.120 0.000 0.000 0.297 2100 V C 0.119 176.264 176.094 0.085 0.000 1.027 2100 V CA -0.802 61.375 62.300 -0.205 0.000 0.855 2100 V CB 1.590 33.057 31.823 -0.594 0.000 0.995 2100 V HN 0.760 nan 8.190 nan 0.000 0.424 2101 N N 1.670 120.354 118.700 -0.027 0.000 2.257 2101 N HA 0.195 4.935 4.740 0.000 0.000 0.200 2101 N C 0.262 175.852 175.510 0.134 0.000 1.163 2101 N CA 0.211 53.366 53.050 0.175 0.000 0.891 2101 N CB 1.514 40.049 38.487 0.080 0.000 1.067 2101 N HN 0.570 nan 8.380 nan 0.000 0.497 2102 S N -0.837 114.721 115.700 -0.237 0.000 2.625 2102 S HA 0.574 5.044 4.470 0.000 0.000 0.271 2102 S C -2.095 172.110 174.600 -0.657 0.000 1.161 2102 S CA -0.632 57.424 58.200 -0.240 0.000 0.820 2102 S CB 0.751 63.935 63.200 -0.027 0.000 1.137 2102 S HN 0.128 nan 8.310 nan 0.000 0.470 2103 W N 2.417 123.680 121.300 -0.060 0.000 2.532 2103 W HA 0.483 5.143 4.660 0.000 0.000 0.321 2103 W C -0.005 176.541 176.519 0.044 0.000 1.037 2103 W CA -0.515 56.797 57.345 -0.054 0.000 1.220 2103 W CB 0.679 30.145 29.460 0.010 0.000 1.361 2103 W HN 0.810 nan 8.180 nan 0.000 0.468 2104 H N 0.722 119.878 119.070 0.143 0.000 2.502 2104 H HA 0.597 5.153 4.556 0.000 0.000 0.338 2104 H C -0.459 174.881 175.328 0.021 0.000 1.155 2104 H CA -1.267 54.838 56.048 0.094 0.000 1.237 2104 H CB 1.189 30.968 29.762 0.028 0.000 1.534 2104 H HN 0.385 nan 8.280 nan 0.000 0.523 2105 I N 3.562 124.180 120.570 0.081 0.000 2.668 2105 I HA -0.052 4.118 4.170 0.000 0.000 0.285 2105 I C 0.229 176.299 176.117 -0.079 0.000 1.168 2105 I CA 0.132 61.307 61.300 -0.208 0.000 1.424 2105 I CB 0.068 37.839 38.000 -0.381 0.000 1.377 2105 I HN 0.820 nan 8.210 nan 0.000 0.560 2106 L N 5.890 126.974 121.223 -0.231 0.000 2.453 2106 L HA 0.446 4.786 4.340 0.000 0.000 0.190 2106 L C 0.532 177.351 176.870 -0.086 0.000 1.093 2106 L CA 0.850 55.637 54.840 -0.089 0.000 0.834 2106 L CB -0.020 41.973 42.059 -0.110 0.000 1.090 2106 L HN 0.635 nan 8.230 nan 0.000 0.489 2107 S N -0.968 114.637 115.700 -0.158 0.000 2.570 2107 S HA 0.598 5.068 4.470 0.000 0.000 0.270 2107 S C -1.514 172.992 174.600 -0.157 0.000 1.149 2107 S CA -0.752 57.376 58.200 -0.120 0.000 0.837 2107 S CB 1.205 64.362 63.200 -0.072 0.000 1.124 2107 S HN 0.170 nan 8.310 nan 0.000 0.465 2108 K N 1.411 121.762 120.400 -0.081 0.000 2.571 2108 K HA 0.303 4.623 4.320 0.000 0.000 0.252 2108 K C -0.921 175.696 176.600 0.028 0.000 0.956 2108 K CA -0.470 55.795 56.287 -0.037 0.000 0.822 2108 K CB 1.013 33.496 32.500 -0.028 0.000 1.286 2108 K HN 0.658 nan 8.250 nan 0.000 0.439 2109 D N 2.640 123.074 120.400 0.057 0.000 2.366 2109 D HA -0.038 4.602 4.640 0.000 0.000 0.205 2109 D C -0.266 176.071 176.300 0.061 0.000 1.022 2109 D CA 0.173 54.221 54.000 0.079 0.000 0.868 2109 D CB 0.058 40.944 40.800 0.143 0.000 0.953 2109 D HN 0.623 nan 8.370 nan 0.000 0.514 2110 N N 0.432 119.173 118.700 0.068 0.000 2.716 2110 N HA -0.213 4.527 4.740 0.000 0.000 0.250 2110 N C 0.946 176.486 175.510 0.050 0.000 1.033 2110 N CA 0.725 53.817 53.050 0.071 0.000 0.727 2110 N CB -1.089 37.442 38.487 0.072 0.000 0.950 2110 N HN 0.478 nan 8.380 nan 0.000 0.541 2111 A N 0.185 123.023 122.820 0.030 0.000 1.898 2111 A HA -0.106 4.214 4.320 0.000 0.000 0.216 2111 A C 2.193 179.769 177.584 -0.014 0.000 1.181 2111 A CA 1.061 53.081 52.037 -0.029 0.000 0.620 2111 A CB -0.020 18.939 19.000 -0.069 0.000 0.819 2111 A HN 0.330 nan 8.150 nan 0.000 0.442 2112 I N -0.240 120.349 120.570 0.032 0.000 2.202 2112 I HA -0.184 3.986 4.170 0.000 0.000 0.242 2112 I C 2.517 178.764 176.117 0.217 0.000 1.091 2112 I CA 1.378 62.727 61.300 0.082 0.000 1.368 2112 I CB -1.518 36.543 38.000 0.101 0.000 1.058 2112 I HN 0.335 nan 8.210 nan 0.000 0.410 2113 R N 0.632 121.243 120.500 0.185 0.000 2.083 2113 R HA -0.129 4.211 4.340 0.000 0.000 0.237 2113 R C 2.390 178.748 176.300 0.097 0.000 1.137 2113 R CA 1.434 57.643 56.100 0.181 0.000 0.951 2113 R CB -0.337 30.045 30.300 0.138 0.000 0.851 2113 R HN 0.310 nan 8.270 nan 0.000 0.434 2114 I N -0.363 120.237 120.570 0.049 0.000 2.315 2114 I HA -0.135 4.035 4.170 0.000 0.000 0.248 2114 I C 2.397 178.493 176.117 -0.036 0.000 1.117 2114 I CA 1.329 62.625 61.300 -0.007 0.000 1.404 2114 I CB -0.447 37.537 38.000 -0.026 0.000 1.071 2114 I HN 0.301 nan 8.210 nan 0.000 0.419 2115 G N -0.002 108.786 108.800 -0.019 0.000 2.559 2115 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 2115 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 2115 G C 1.544 176.449 174.900 0.008 0.000 1.126 2115 G CA 0.237 45.307 45.100 -0.051 0.000 0.778 2115 G HN 0.305 nan 8.290 nan 0.000 0.543 2116 E N 0.664 120.894 120.200 0.049 0.000 2.204 2116 E HA -0.120 4.230 4.350 0.000 0.000 0.194 2116 E C 1.519 178.007 176.600 -0.186 0.000 0.989 2116 E CA 1.483 57.790 56.400 -0.155 0.000 0.824 2116 E CB 0.114 29.610 29.700 -0.341 0.000 0.756 2116 E HN 0.492 nan 8.360 nan 0.000 0.477 2117 D N -1.365 118.940 120.400 -0.158 0.000 2.434 2117 D HA 0.213 4.853 4.640 0.000 0.000 0.288 2117 D C 0.383 176.519 176.300 -0.274 0.000 1.083 2117 D CA 0.636 54.522 54.000 -0.190 0.000 0.903 2117 D CB 0.387 41.087 40.800 -0.167 0.000 1.476 2117 D HN 0.149 nan 8.370 nan 0.000 0.502 2118 A N -0.462 122.203 122.820 -0.257 0.000 2.450 2118 A HA 0.544 4.864 4.320 0.000 0.000 0.281 2118 A C -0.787 176.548 177.584 -0.415 0.000 1.372 2118 A CA -0.256 51.574 52.037 -0.345 0.000 0.886 2118 A CB 0.053 18.955 19.000 -0.164 0.000 1.462 2118 A HN 0.381 nan 8.150 nan 0.000 0.514 2119 H N -0.198 118.833 119.070 -0.065 0.000 2.643 2119 H HA 0.378 4.935 4.556 0.000 0.000 0.259 2119 H C -0.928 174.264 175.328 -0.228 0.000 1.298 2119 H CA -0.400 55.572 56.048 -0.127 0.000 1.301 2119 H CB 0.324 30.026 29.762 -0.101 0.000 1.422 2119 H HN 0.254 nan 8.280 nan 0.000 0.521 2120 I N 3.500 123.982 120.570 -0.147 0.000 2.321 2120 I HA 0.105 4.275 4.170 0.000 0.000 0.291 2120 I C 0.398 176.375 176.117 -0.234 0.000 0.998 2120 I CA -0.645 60.522 61.300 -0.220 0.000 1.227 2120 I CB 1.093 38.970 38.000 -0.206 0.000 1.368 2120 I HN 0.480 nan 8.210 nan 0.000 0.466 2121 L N 6.081 127.136 121.223 -0.281 0.000 2.540 2121 L HA 0.053 4.393 4.340 0.000 0.000 0.276 2121 L C 0.280 177.013 176.870 -0.229 0.000 1.212 2121 L CA -0.125 54.566 54.840 -0.249 0.000 0.893 2121 L CB 0.317 42.210 42.059 -0.276 0.000 1.138 2121 L HN 0.264 nan 8.230 nan 0.000 0.491 2122 V N 3.267 123.072 119.914 -0.180 0.000 2.655 2122 V HA 0.140 4.260 4.120 0.000 0.000 0.300 2122 V C 0.765 176.799 176.094 -0.100 0.000 1.044 2122 V CA 0.246 62.455 62.300 -0.152 0.000 1.095 2122 V CB 0.869 32.631 31.823 -0.101 0.000 0.952 2122 V HN 1.022 nan 8.190 nan 0.000 0.485 2123 T N 3.672 118.181 114.554 -0.075 0.000 2.693 2123 T HA 0.831 5.181 4.350 0.000 0.000 0.278 2123 T C -0.489 174.218 174.700 0.012 0.000 0.994 2123 T CA -0.993 61.094 62.100 -0.023 0.000 1.033 2123 T CB 2.522 71.378 68.868 -0.020 0.000 1.342 2123 T HN 0.596 nan 8.240 nan 0.000 0.538 2124 R N -0.831 119.690 120.500 0.034 0.000 2.780 2124 R HA 0.347 4.687 4.340 0.000 0.000 0.280 2124 R C -1.403 174.929 176.300 0.053 0.000 1.016 2124 R CA -0.708 55.402 56.100 0.018 0.000 0.854 2124 R CB 0.895 31.181 30.300 -0.022 0.000 1.293 2124 R HN 0.910 nan 8.270 nan 0.000 0.483 2125 E N 0.113 120.324 120.200 0.017 0.000 2.230 2125 E HA -0.154 4.196 4.350 0.000 0.000 0.206 2125 E C -2.495 174.249 176.600 0.241 0.000 1.309 2125 E CA 0.627 57.118 56.400 0.151 0.000 0.697 2125 E CB -0.995 28.820 29.700 0.192 0.000 1.146 2125 E HN 0.242 nan 8.360 nan 0.000 0.363 2126 P HA 0.361 nan 4.420 nan 0.000 0.279 2126 P C -0.576 176.610 177.300 -0.190 0.000 1.276 2126 P CA -0.222 62.878 63.100 0.000 0.000 0.801 2126 P CB 0.738 32.401 31.700 -0.060 0.000 1.127 2127 Y N -2.757 117.167 120.300 -0.628 0.000 2.925 2127 Y HA 0.589 5.139 4.550 0.000 0.000 0.349 2127 Y C -2.085 173.409 175.900 -0.678 0.000 1.342 2127 Y CA -1.317 56.155 58.100 -1.048 0.000 1.093 2127 Y CB 0.197 38.343 38.460 -0.523 0.000 1.571 2127 Y HN 0.104 nan 8.280 nan 0.000 0.438 2128 L N 1.678 122.564 121.223 -0.561 0.000 2.354 2128 L HA 0.812 5.152 4.340 0.000 0.000 0.264 2128 L C -0.652 175.942 176.870 -0.460 0.000 1.008 2128 L CA -0.939 53.475 54.840 -0.710 0.000 0.819 2128 L CB 1.948 43.143 42.059 -1.441 0.000 1.339 2128 L HN 0.838 nan 8.230 nan 0.000 0.420 2129 S N 0.171 115.721 115.700 -0.250 0.000 2.533 2129 S HA 0.641 5.111 4.470 0.000 0.000 0.271 2129 S C -1.115 173.536 174.600 0.085 0.000 1.143 2129 S CA -0.343 57.825 58.200 -0.054 0.000 0.891 2129 S CB 1.471 64.496 63.200 -0.290 0.000 1.105 2129 S HN 0.669 nan 8.310 nan 0.000 0.468 2130 c N 2.626 121.356 118.600 0.218 0.000 2.486 2130 c HA 0.949 5.519 4.570 0.000 0.000 0.348 2130 c C -0.487 173.605 174.090 0.003 0.000 1.203 2130 c CA -0.432 56.014 56.329 0.194 0.000 1.911 2130 c CB 1.142 43.889 42.510 0.395 0.000 2.340 2130 c HN 1.037 nan 8.230 nan 0.000 0.511 2131 D N -0.938 119.213 120.400 -0.415 0.000 2.752 2131 D HA 0.415 5.055 4.640 0.000 0.000 0.313 2131 D C -2.589 172.934 176.300 -1.295 0.000 1.225 2131 D CA -1.198 51.995 54.000 -1.345 0.000 0.976 2131 D CB -0.078 40.029 40.800 -1.156 0.000 1.443 2131 D HN 0.066 nan 8.370 nan 0.000 0.515 2132 P HA -0.160 nan 4.420 nan 0.000 0.218 2132 P C 0.927 178.033 177.300 -0.324 0.000 1.146 2132 P CA 1.595 64.207 63.100 -0.814 0.000 0.820 2132 P CB 0.230 31.583 31.700 -0.578 0.000 0.778 2133 Q N -1.815 117.793 119.800 -0.319 0.000 2.391 2133 Q HA 0.343 4.683 4.340 0.000 0.000 0.211 2133 Q C 1.044 176.982 176.000 -0.103 0.000 0.908 2133 Q CA 0.705 56.410 55.803 -0.163 0.000 0.920 2133 Q CB 0.435 29.081 28.738 -0.153 0.000 1.056 2133 Q HN 0.206 nan 8.270 nan 0.000 0.523 2134 G N -2.035 106.697 108.800 -0.114 0.000 2.344 2134 G HA2 0.240 4.200 3.960 0.000 0.000 0.282 2134 G HA3 0.240 4.200 3.960 0.000 0.000 0.282 2134 G C -1.521 173.356 174.900 -0.038 0.000 1.281 2134 G CA -0.533 44.539 45.100 -0.046 0.000 0.877 2134 G HN 0.018 nan 8.290 nan 0.000 0.494 2135 c N -0.072 118.513 118.600 -0.025 0.000 2.507 2135 c HA 0.917 5.487 4.570 0.000 0.000 0.319 2135 c C 0.397 174.417 174.090 -0.117 0.000 1.208 2135 c CA -0.677 55.634 56.329 -0.029 0.000 1.619 2135 c CB 1.186 43.710 42.510 0.024 0.000 2.230 2135 c HN 0.795 nan 8.230 nan 0.000 0.492 2136 R N 1.366 121.782 120.500 -0.140 0.000 2.892 2136 R HA 0.734 5.074 4.340 0.000 0.000 0.265 2136 R C -0.751 175.260 176.300 -0.482 0.000 1.025 2136 R CA -0.637 55.260 56.100 -0.337 0.000 0.982 2136 R CB 1.275 31.326 30.300 -0.416 0.000 1.185 2136 R HN 0.618 nan 8.270 nan 0.000 0.484 2137 M N 1.138 120.162 119.600 -0.959 0.000 2.359 2137 M HA 0.451 4.931 4.480 0.000 0.000 0.322 2137 M C -1.034 174.333 176.300 -1.554 0.000 1.166 2137 M CA -0.098 54.486 55.300 -1.193 0.000 1.067 2137 M CB 0.831 32.519 32.600 -1.520 0.000 1.523 2137 M HN 0.322 nan 8.290 nan 0.000 0.467 2138 F N 0.235 119.398 119.950 -1.311 0.000 2.613 2138 F HA 0.860 5.387 4.527 0.000 0.000 0.314 2138 F C -0.248 175.155 175.800 -0.661 0.000 1.075 2138 F CA -0.688 56.674 58.000 -1.064 0.000 0.945 2138 F CB 2.132 40.184 39.000 -1.580 0.000 1.310 2138 F HN 0.660 nan 8.300 nan 0.000 0.467 2139 A N 1.038 123.820 122.820 -0.063 0.000 2.544 2139 A HA 0.669 4.989 4.320 0.000 0.000 0.291 2139 A C -2.244 175.420 177.584 0.133 0.000 1.055 2139 A CA -0.830 51.274 52.037 0.111 0.000 0.651 2139 A CB 0.926 20.075 19.000 0.249 0.000 1.296 2139 A HN 0.665 nan 8.150 nan 0.000 0.431 2140 L N 1.993 123.296 121.223 0.134 0.000 2.283 2140 L HA 0.431 4.771 4.340 0.000 0.000 0.287 2140 L C 1.008 177.916 176.870 0.064 0.000 1.073 2140 L CA -0.279 54.624 54.840 0.104 0.000 0.822 2140 L CB 1.252 43.390 42.059 0.131 0.000 1.186 2140 L HN 0.750 nan 8.230 nan 0.000 0.436 2141 S N 1.911 117.630 115.700 0.031 0.000 2.584 2141 S HA 0.060 4.530 4.470 0.000 0.000 0.270 2141 S C 0.853 175.469 174.600 0.027 0.000 1.346 2141 S CA -0.330 57.867 58.200 -0.006 0.000 1.018 2141 S CB 0.797 63.972 63.200 -0.041 0.000 0.899 2141 S HN 0.626 nan 8.310 nan 0.000 0.542 2142 Q N 1.619 121.431 119.800 0.019 0.000 2.247 2142 Q HA 0.182 4.522 4.340 0.000 0.000 0.204 2142 Q C 1.080 177.128 176.000 0.080 0.000 0.872 2142 Q CA 0.573 56.417 55.803 0.069 0.000 0.951 2142 Q CB 0.394 29.172 28.738 0.068 0.000 1.099 2142 Q HN 1.137 nan 8.270 nan 0.000 0.501 2143 G N 2.077 110.891 108.800 0.023 0.000 2.295 2143 G HA2 -0.250 3.710 3.960 0.000 0.000 0.287 2143 G HA3 -0.250 3.710 3.960 0.000 0.000 0.287 2143 G C -0.002 174.856 174.900 -0.071 0.000 1.055 2143 G CA 1.020 46.115 45.100 -0.009 0.000 0.922 2143 G HN 0.354 nan 8.290 nan 0.000 0.503 2144 T N -1.329 113.183 114.554 -0.071 0.000 2.893 2144 T HA 0.674 5.024 4.350 0.000 0.000 0.337 2144 T C 0.368 175.016 174.700 -0.087 0.000 1.587 2144 T CA 0.878 62.935 62.100 -0.072 0.000 1.066 2144 T CB 1.035 69.904 68.868 0.001 0.000 1.414 2144 T HN 1.405 nan 8.240 nan 0.000 0.488 2145 T N 1.778 116.281 114.554 -0.084 0.000 2.816 2145 T HA 0.429 4.779 4.350 0.000 0.000 0.282 2145 T C 1.428 176.053 174.700 -0.125 0.000 0.993 2145 T CA -0.445 61.591 62.100 -0.107 0.000 0.994 2145 T CB 0.791 69.627 68.868 -0.054 0.000 1.025 2145 T HN 0.543 nan 8.240 nan 0.000 0.529 2146 L N 0.122 121.225 121.223 -0.200 0.000 2.109 2146 L HA 0.195 4.535 4.340 0.000 0.000 0.207 2146 L C 2.427 179.130 176.870 -0.278 0.000 1.086 2146 L CA 1.437 56.061 54.840 -0.360 0.000 0.760 2146 L CB -0.527 41.252 42.059 -0.467 0.000 0.910 2146 L HN 0.511 nan 8.230 nan 0.000 0.437 2147 R N 0.390 120.832 120.500 -0.097 0.000 2.297 2147 R HA 0.273 4.613 4.340 0.000 0.000 0.197 2147 R C 0.812 177.129 176.300 0.027 0.000 0.943 2147 R CA 0.503 56.604 56.100 0.003 0.000 1.038 2147 R CB -0.794 29.514 30.300 0.015 0.000 0.957 2147 R HN 0.433 nan 8.270 nan 0.000 0.484 2148 G N 0.040 108.850 108.800 0.016 0.000 2.594 2148 G HA2 -0.016 3.944 3.960 0.000 0.000 0.243 2148 G HA3 -0.016 3.944 3.960 0.000 0.000 0.243 2148 G C 0.620 175.544 174.900 0.041 0.000 1.229 2148 G CA -0.437 44.691 45.100 0.046 0.000 0.843 2148 G HN 0.175 nan 8.290 nan 0.000 0.578 2149 R N -0.862 119.642 120.500 0.006 0.000 2.189 2149 R HA -0.011 4.329 4.340 0.000 0.000 0.218 2149 R C 1.621 177.833 176.300 -0.147 0.000 1.074 2149 R CA 0.639 56.691 56.100 -0.080 0.000 0.991 2149 R CB -0.027 30.180 30.300 -0.155 0.000 0.883 2149 R HN 0.657 nan 8.270 nan 0.000 0.457 2150 H N -0.697 118.368 119.070 -0.009 0.000 2.556 2150 H HA 0.122 4.679 4.556 0.000 0.000 0.268 2150 H C 1.587 176.923 175.328 0.013 0.000 0.996 2150 H CA 0.646 56.682 56.048 -0.018 0.000 1.157 2150 H CB 0.359 30.078 29.762 -0.071 0.000 1.355 2150 H HN 0.237 nan 8.280 nan 0.000 0.597 2151 A N 1.524 124.408 122.820 0.107 0.000 2.121 2151 A HA -0.146 4.174 4.320 0.000 0.000 0.218 2151 A C 1.364 179.060 177.584 0.186 0.000 1.154 2151 A CA 0.286 52.390 52.037 0.113 0.000 0.679 2151 A CB -0.499 18.520 19.000 0.031 0.000 0.795 2151 A HN 0.284 nan 8.150 nan 0.000 0.458 2152 N N -0.034 118.750 118.700 0.139 0.000 2.452 2152 N HA 0.359 5.099 4.740 0.000 0.000 0.266 2152 N C 0.831 176.400 175.510 0.097 0.000 1.175 2152 N CA 1.223 54.343 53.050 0.116 0.000 0.945 2152 N CB 0.354 38.877 38.487 0.060 0.000 1.063 2152 N HN 0.629 nan 8.380 nan 0.000 0.472 2153 G N 2.117 110.970 108.800 0.090 0.000 2.159 2153 G HA2 -0.287 3.673 3.960 0.000 0.000 0.227 2153 G HA3 -0.287 3.673 3.960 0.000 0.000 0.227 2153 G C 0.701 175.676 174.900 0.126 0.000 0.986 2153 G CA 0.522 45.672 45.100 0.084 0.000 0.651 2153 G HN 0.876 nan 8.290 nan 0.000 0.523 2154 T N -1.062 113.578 114.554 0.142 0.000 3.215 2154 T HA 0.312 4.662 4.350 0.000 0.000 0.254 2154 T C 2.141 176.913 174.700 0.121 0.000 1.149 2154 T CA 0.772 62.961 62.100 0.149 0.000 1.042 2154 T CB 0.129 69.086 68.868 0.148 0.000 0.966 2154 T HN 0.553 nan 8.240 nan 0.000 0.534 2155 I N 0.713 121.336 120.570 0.087 0.000 2.423 2155 I HA -0.135 4.035 4.170 0.000 0.000 0.254 2155 I C 1.077 177.252 176.117 0.098 0.000 1.151 2155 I CA 0.834 62.166 61.300 0.052 0.000 1.421 2155 I CB -0.205 37.794 38.000 -0.001 0.000 1.079 2155 I HN 0.300 nan 8.210 nan 0.000 0.431 2156 H N 1.866 120.940 119.070 0.006 0.000 3.004 2156 H HA -0.039 4.517 4.556 0.000 0.000 0.316 2156 H C 0.771 176.091 175.328 -0.013 0.000 1.014 2156 H CA 0.246 56.289 56.048 -0.008 0.000 1.454 2156 H CB 0.552 30.322 29.762 0.013 0.000 1.472 2156 H HN 0.241 nan 8.280 nan 0.000 0.571 2157 D N 4.243 124.667 120.400 0.040 0.000 2.194 2157 D HA -0.035 4.605 4.640 0.000 0.000 0.204 2157 D C 0.139 176.299 176.300 -0.232 0.000 0.964 2157 D CA 1.019 54.967 54.000 -0.086 0.000 0.846 2157 D CB 0.488 41.237 40.800 -0.084 0.000 0.962 2157 D HN 0.485 nan 8.370 nan 0.000 0.490 2158 R N -0.133 120.033 120.500 -0.556 0.000 2.513 2158 R HA 0.524 4.864 4.340 0.000 0.000 0.301 2158 R C -0.538 175.434 176.300 -0.546 0.000 0.968 2158 R CA -0.451 55.279 56.100 -0.616 0.000 0.872 2158 R CB 2.328 31.880 30.300 -1.248 0.000 1.177 2158 R HN -0.050 nan 8.270 nan 0.000 0.444 2159 S N 0.898 116.499 115.700 -0.166 0.000 2.615 2159 S HA 0.465 4.935 4.470 0.000 0.000 0.269 2159 S C -2.586 171.863 174.600 -0.252 0.000 1.161 2159 S CA -1.229 56.815 58.200 -0.260 0.000 0.817 2159 S CB 2.048 65.102 63.200 -0.243 0.000 1.131 2159 S HN 0.297 nan 8.310 nan 0.000 0.467 2160 P HA 0.287 nan 4.420 nan 0.000 0.245 2160 P C 0.087 177.089 177.300 -0.498 0.000 1.212 2160 P CA 0.347 63.129 63.100 -0.531 0.000 0.774 2160 P CB -0.449 30.933 31.700 -0.530 0.000 0.999 2161 F N -1.192 118.781 119.950 0.038 0.000 2.695 2161 F HA 0.257 4.784 4.527 0.000 0.000 0.303 2161 F C 1.277 177.080 175.800 0.006 0.000 1.091 2161 F CA -0.674 57.331 58.000 0.007 0.000 1.300 2161 F CB 0.056 39.054 39.000 -0.004 0.000 1.071 2161 F HN -0.319 nan 8.300 nan 0.000 0.578 2162 R N 1.551 122.105 120.500 0.090 0.000 2.500 2162 R HA 0.786 5.126 4.340 0.000 0.000 0.275 2162 R C -0.445 175.870 176.300 0.025 0.000 1.051 2162 R CA -0.401 55.746 56.100 0.079 0.000 1.088 2162 R CB 1.321 31.691 30.300 0.117 0.000 1.063 2162 R HN 0.141 nan 8.270 nan 0.000 0.511 2163 A N 1.743 124.571 122.820 0.015 0.000 2.604 2163 A HA 0.355 4.675 4.320 0.000 0.000 0.295 2163 A C -1.618 175.956 177.584 -0.016 0.000 1.067 2163 A CA -0.787 51.233 52.037 -0.027 0.000 0.683 2163 A CB 1.399 20.371 19.000 -0.046 0.000 1.281 2163 A HN 0.555 nan 8.150 nan 0.000 0.407 2164 L N 2.799 123.999 121.223 -0.039 0.000 2.331 2164 L HA 0.749 5.089 4.340 0.000 0.000 0.278 2164 L C -0.321 176.524 176.870 -0.042 0.000 1.106 2164 L CA 0.113 54.956 54.840 0.006 0.000 0.824 2164 L CB 0.209 42.290 42.059 0.037 0.000 1.142 2164 L HN 0.592 nan 8.230 nan 0.000 0.443 2165 I N 2.009 122.570 120.570 -0.014 0.000 2.646 2165 I HA 0.833 5.003 4.170 0.000 0.000 0.299 2165 I C -0.456 175.577 176.117 -0.139 0.000 1.036 2165 I CA -0.613 60.658 61.300 -0.048 0.000 1.074 2165 I CB 2.145 40.147 38.000 0.004 0.000 1.258 2165 I HN 0.679 nan 8.210 nan 0.000 0.430 2166 S N 3.472 118.979 115.700 -0.323 0.000 2.542 2166 S HA 0.870 5.341 4.470 0.000 0.000 0.293 2166 S C -1.296 173.112 174.600 -0.320 0.000 1.089 2166 S CA -0.559 57.148 58.200 -0.823 0.000 0.961 2166 S CB 1.385 63.704 63.200 -1.469 0.000 1.062 2166 S HN 1.016 nan 8.310 nan 0.000 0.483 2167 W N 0.270 121.252 121.300 -0.530 0.000 3.074 2167 W HA 0.640 5.300 4.660 0.000 0.000 0.332 2167 W C -0.963 175.393 176.519 -0.271 0.000 1.253 2167 W CA -0.919 56.232 57.345 -0.323 0.000 1.180 2167 W CB 0.478 29.789 29.460 -0.248 0.000 1.445 2167 W HN 0.793 nan 8.180 nan 0.000 0.573 2168 E N 3.114 123.303 120.200 -0.017 0.000 2.480 2168 E HA -0.010 4.340 4.350 0.000 0.000 0.258 2168 E C 0.254 176.796 176.600 -0.097 0.000 0.984 2168 E CA -0.324 56.026 56.400 -0.083 0.000 0.930 2168 E CB 0.543 30.237 29.700 -0.009 0.000 0.936 2168 E HN 0.673 nan 8.360 nan 0.000 0.466 2169 M N 4.810 124.295 119.600 -0.193 0.000 2.261 2169 M HA -0.027 4.454 4.480 0.000 0.000 0.350 2169 M C 0.912 177.187 176.300 -0.041 0.000 1.343 2169 M CA 1.856 57.046 55.300 -0.183 0.000 1.003 2169 M CB -0.026 32.480 32.600 -0.158 0.000 1.848 2169 M HN 0.859 nan 8.290 nan 0.000 0.456 2170 G N 2.850 111.660 108.800 0.016 0.000 2.349 2170 G HA2 -0.213 3.747 3.960 0.000 0.000 0.213 2170 G HA3 -0.213 3.747 3.960 0.000 0.000 0.213 2170 G C -0.060 174.910 174.900 0.118 0.000 1.044 2170 G CA 0.100 45.235 45.100 0.057 0.000 0.633 2170 G HN 0.696 nan 8.290 nan 0.000 0.506 2171 Q N 0.913 120.820 119.800 0.179 0.000 2.492 2171 Q HA 0.586 4.926 4.340 0.000 0.000 0.238 2171 Q C 0.534 176.603 176.000 0.115 0.000 1.045 2171 Q CA 0.199 56.088 55.803 0.144 0.000 0.934 2171 Q CB 0.794 29.608 28.738 0.126 0.000 1.276 2171 Q HN 0.872 nan 8.270 nan 0.000 0.521 2172 A N 2.079 124.849 122.820 -0.084 0.000 2.293 2172 A HA 0.479 4.799 4.320 0.000 0.000 0.302 2172 A C -2.233 174.965 177.584 -0.644 0.000 1.119 2172 A CA -1.633 50.251 52.037 -0.255 0.000 0.823 2172 A CB 0.199 19.096 19.000 -0.173 0.000 1.097 2172 A HN 0.474 nan 8.150 nan 0.000 0.491 2173 P HA 0.189 nan 4.420 nan 0.000 0.284 2173 P C -0.353 176.555 177.300 -0.654 0.000 1.343 2173 P CA 0.141 62.505 63.100 -1.227 0.000 0.826 2173 P CB 0.800 31.444 31.700 -1.760 0.000 0.956 2174 S N 3.672 119.069 115.700 -0.504 0.000 2.704 2174 S HA 0.585 5.055 4.470 0.000 0.000 0.305 2174 S C -2.093 172.212 174.600 -0.491 0.000 1.107 2174 S CA -1.860 56.070 58.200 -0.449 0.000 0.993 2174 S CB 1.101 64.080 63.200 -0.369 0.000 1.110 2174 S HN 0.058 nan 8.310 nan 0.000 0.534 2175 P HA 0.076 nan 4.420 nan 0.000 0.236 2175 P C -0.123 176.959 177.300 -0.362 0.000 1.172 2175 P CA 0.960 63.729 63.100 -0.551 0.000 0.759 2175 P CB -0.332 30.992 31.700 -0.626 0.000 0.843 2176 Y N -1.449 118.794 120.300 -0.095 0.000 2.430 2176 Y HA 0.196 4.746 4.550 0.000 0.000 0.248 2176 Y C 1.433 177.290 175.900 -0.072 0.000 1.108 2176 Y CA -0.417 57.638 58.100 -0.075 0.000 1.264 2176 Y CB -0.015 38.409 38.460 -0.060 0.000 1.172 2176 Y HN 0.045 nan 8.280 nan 0.000 0.520 2177 N N -0.068 118.633 118.700 0.003 0.000 2.305 2177 N HA 0.051 4.791 4.740 0.000 0.000 0.248 2177 N C -0.673 174.824 175.510 -0.022 0.000 1.290 2177 N CA 0.019 53.068 53.050 -0.002 0.000 0.873 2177 N CB -0.199 38.285 38.487 -0.005 0.000 1.261 2177 N HN 0.037 nan 8.380 nan 0.000 0.504 2178 T N -1.882 112.635 114.554 -0.062 0.000 2.856 2178 T HA 0.497 4.848 4.350 0.000 0.000 0.283 2178 T C -0.390 174.273 174.700 -0.062 0.000 1.008 2178 T CA -0.903 61.169 62.100 -0.046 0.000 0.997 2178 T CB 2.551 71.345 68.868 -0.123 0.000 0.992 2178 T HN 0.194 nan 8.240 nan 0.000 0.454 2179 R N 1.965 122.418 120.500 -0.077 0.000 2.407 2179 R HA 0.577 4.917 4.340 0.000 0.000 0.303 2179 R C -1.082 175.133 176.300 -0.141 0.000 0.981 2179 R CA -0.694 55.339 56.100 -0.112 0.000 0.905 2179 R CB 1.102 31.322 30.300 -0.133 0.000 1.099 2179 R HN 0.589 nan 8.270 nan 0.000 0.459 2180 V N 5.372 125.198 119.914 -0.147 0.000 2.427 2180 V HA 0.043 4.163 4.120 0.000 0.000 0.268 2180 V C 0.890 176.816 176.094 -0.281 0.000 1.046 2180 V CA 0.031 62.221 62.300 -0.183 0.000 0.970 2180 V CB 1.300 33.025 31.823 -0.163 0.000 1.001 2180 V HN 0.888 nan 8.190 nan 0.000 0.476 2181 E N 2.826 122.848 120.200 -0.297 0.000 2.075 2181 E HA 0.066 4.416 4.350 0.000 0.000 0.190 2181 E C 0.463 176.597 176.600 -0.777 0.000 0.969 2181 E CA 1.044 57.210 56.400 -0.389 0.000 0.815 2181 E CB 0.468 30.071 29.700 -0.161 0.000 0.776 2181 E HN 0.906 nan 8.360 nan 0.000 0.457 2182 c N -0.932 117.316 118.600 -0.587 0.000 3.259 2182 c HA 0.559 5.129 4.570 0.000 0.000 0.344 2182 c C -0.850 173.090 174.090 -0.251 0.000 1.401 2182 c CA -1.356 54.595 56.329 -0.630 0.000 1.219 2182 c CB 0.632 42.827 42.510 -0.525 0.000 1.521 2182 c HN 0.026 nan 8.230 nan 0.000 0.455 2183 I N 1.993 122.495 120.570 -0.113 0.000 2.412 2183 I HA 0.838 5.008 4.170 0.000 0.000 0.296 2183 I C 0.767 176.796 176.117 -0.146 0.000 0.987 2183 I CA 0.923 62.170 61.300 -0.089 0.000 1.180 2183 I CB 0.603 38.583 38.000 -0.033 0.000 1.340 2183 I HN 1.508 nan 8.210 nan 0.000 0.455 2184 G N 5.705 114.396 108.800 -0.182 0.000 2.369 2184 G HA2 0.063 4.023 3.960 0.000 0.000 0.293 2184 G HA3 0.063 4.023 3.960 0.000 0.000 0.293 2184 G C -1.104 173.665 174.900 -0.218 0.000 1.301 2184 G CA -0.492 44.379 45.100 -0.381 0.000 0.913 2184 G HN 0.688 nan 8.290 nan 0.000 0.540 2185 W N -0.259 121.029 121.300 -0.021 0.000 2.467 2185 W HA 0.650 5.310 4.660 0.000 0.000 0.369 2185 W C 0.010 176.535 176.519 0.011 0.000 0.938 2185 W CA 0.006 57.340 57.345 -0.019 0.000 1.845 2185 W CB 0.439 29.862 29.460 -0.062 0.000 1.167 2185 W HN 0.981 nan 8.180 nan 0.000 0.558 2186 S N 1.786 117.623 115.700 0.228 0.000 2.548 2186 S HA 0.536 5.006 4.470 0.000 0.000 0.278 2186 S C -0.760 173.886 174.600 0.077 0.000 1.150 2186 S CA 0.018 58.359 58.200 0.235 0.000 0.907 2186 S CB 1.432 64.840 63.200 0.347 0.000 1.108 2186 S HN 0.276 nan 8.310 nan 0.000 0.459 2187 S N 2.160 117.919 115.700 0.099 0.000 2.625 2187 S HA 0.889 5.359 4.470 0.000 0.000 0.271 2187 S C -0.682 173.923 174.600 0.009 0.000 1.161 2187 S CA -0.360 57.878 58.200 0.064 0.000 0.820 2187 S CB 1.653 64.930 63.200 0.129 0.000 1.137 2187 S HN 1.001 nan 8.310 nan 0.000 0.470 2188 T N -0.337 114.208 114.554 -0.015 0.000 2.787 2188 T HA 0.806 5.156 4.350 0.000 0.000 0.297 2188 T C -1.550 173.129 174.700 -0.037 0.000 1.221 2188 T CA -0.046 61.984 62.100 -0.117 0.000 1.006 2188 T CB 1.477 70.273 68.868 -0.119 0.000 1.328 2188 T HN 1.521 nan 8.240 nan 0.000 0.509 2189 S N -0.177 115.470 115.700 -0.088 0.000 2.558 2189 S HA 0.686 5.156 4.470 0.000 0.000 0.277 2189 S C -1.472 173.079 174.600 -0.082 0.000 1.143 2189 S CA -0.293 57.857 58.200 -0.084 0.000 0.865 2189 S CB 0.135 63.222 63.200 -0.189 0.000 1.102 2189 S HN 1.467 nan 8.310 nan 0.000 0.454 2190 c N 2.628 121.232 118.600 0.008 0.000 3.307 2190 c HA 0.712 5.282 4.570 0.000 0.000 0.333 2190 c C -1.136 173.074 174.090 0.199 0.000 1.291 2190 c CA -0.880 55.515 56.329 0.110 0.000 1.273 2190 c CB 0.955 43.540 42.510 0.124 0.000 1.580 2190 c HN 1.001 nan 8.230 nan 0.000 0.481 2191 H N 1.273 120.472 119.070 0.215 0.000 2.457 2191 H HA 0.411 4.967 4.556 0.000 0.000 0.335 2191 H C -0.399 175.158 175.328 0.382 0.000 1.115 2191 H CA 0.355 56.535 56.048 0.221 0.000 1.219 2191 H CB 2.087 31.878 29.762 0.049 0.000 1.471 2191 H HN 0.958 nan 8.280 nan 0.000 0.491 2192 D N 1.922 122.540 120.400 0.363 0.000 2.368 2192 D HA 0.146 4.786 4.640 0.000 0.000 0.218 2192 D C 1.389 178.098 176.300 0.682 0.000 1.112 2192 D CA 0.475 54.760 54.000 0.475 0.000 0.834 2192 D CB 0.437 41.460 40.800 0.372 0.000 0.953 2192 D HN 0.881 nan 8.370 nan 0.000 0.505 2193 G N 0.130 109.458 108.800 0.880 0.000 2.308 2193 G HA2 -0.318 3.642 3.960 0.000 0.000 0.221 2193 G HA3 -0.318 3.642 3.960 0.000 0.000 0.221 2193 G C 0.985 176.156 174.900 0.452 0.000 1.032 2193 G CA 0.439 45.978 45.100 0.732 0.000 0.623 2193 G HN 0.193 nan 8.290 nan 0.000 0.506 2194 M N 0.221 120.001 119.600 0.300 0.000 2.553 2194 M HA 0.430 4.910 4.480 0.000 0.000 0.255 2194 M C 1.109 177.366 176.300 -0.072 0.000 1.181 2194 M CA 1.457 56.814 55.300 0.095 0.000 1.210 2194 M CB -0.468 32.138 32.600 0.011 0.000 1.280 2194 M HN 0.225 nan 8.290 nan 0.000 0.495 2195 S N -1.014 114.429 115.700 -0.429 0.000 2.671 2195 S HA 0.559 5.029 4.470 0.000 0.000 0.277 2195 S C -0.778 173.247 174.600 -0.959 0.000 1.165 2195 S CA -0.836 56.924 58.200 -0.733 0.000 0.822 2195 S CB 3.052 65.721 63.200 -0.884 0.000 1.150 2195 S HN 0.252 nan 8.310 nan 0.000 0.479 2196 R N 1.263 121.408 120.500 -0.591 0.000 2.346 2196 R HA 0.573 4.913 4.340 0.000 0.000 0.311 2196 R C -0.718 175.542 176.300 -0.067 0.000 0.983 2196 R CA -0.366 55.602 56.100 -0.221 0.000 0.880 2196 R CB 0.833 31.143 30.300 0.017 0.000 1.100 2196 R HN 0.740 nan 8.270 nan 0.000 0.453 2197 M N 3.415 123.070 119.600 0.092 0.000 2.209 2197 M HA 0.318 4.798 4.480 0.000 0.000 0.355 2197 M C -1.303 175.038 176.300 0.068 0.000 1.171 2197 M CA 0.052 55.444 55.300 0.153 0.000 1.069 2197 M CB 1.524 34.202 32.600 0.130 0.000 1.622 2197 M HN 0.592 nan 8.290 nan 0.000 0.459 2198 S N 5.564 121.320 115.700 0.092 0.000 2.536 2198 S HA 0.739 5.209 4.470 0.000 0.000 0.287 2198 S C -0.960 173.678 174.600 0.064 0.000 1.101 2198 S CA -0.698 57.530 58.200 0.047 0.000 0.950 2198 S CB 1.598 64.806 63.200 0.012 0.000 1.056 2198 S HN 0.718 nan 8.310 nan 0.000 0.481 2199 I N 1.504 122.082 120.570 0.014 0.000 2.533 2199 I HA 0.515 4.685 4.170 0.000 0.000 0.290 2199 I C -1.019 175.102 176.117 0.007 0.000 1.056 2199 I CA -0.473 60.839 61.300 0.019 0.000 1.057 2199 I CB 1.911 39.866 38.000 -0.075 0.000 1.240 2199 I HN 0.519 nan 8.210 nan 0.000 0.423 2200 c N 5.497 124.101 118.600 0.006 0.000 2.712 2200 c HA 0.707 5.278 4.570 0.000 0.000 0.308 2200 c C -0.288 173.697 174.090 -0.175 0.000 1.201 2200 c CA -0.557 55.722 56.329 -0.082 0.000 1.554 2200 c CB 1.872 44.324 42.510 -0.097 0.000 2.117 2200 c HN 0.632 nan 8.230 nan 0.000 0.480 2201 M N 2.668 122.047 119.600 -0.369 0.000 2.436 2201 M HA 0.648 5.128 4.480 0.000 0.000 0.331 2201 M C 0.154 175.753 176.300 -1.169 0.000 1.135 2201 M CA 0.384 55.331 55.300 -0.590 0.000 0.987 2201 M CB 1.931 34.212 32.600 -0.532 0.000 1.687 2201 M HN 0.871 nan 8.290 nan 0.000 0.445 2202 S N 0.926 116.071 115.700 -0.924 0.000 2.685 2202 S HA 1.042 5.512 4.470 0.000 0.000 0.282 2202 S C -0.287 174.133 174.600 -0.300 0.000 1.159 2202 S CA -0.183 57.455 58.200 -0.937 0.000 0.833 2202 S CB 1.719 64.638 63.200 -0.468 0.000 1.151 2202 S HN 1.562 nan 8.310 nan 0.000 0.485 2203 G N 0.332 109.177 108.800 0.076 0.000 2.408 2203 G HA2 0.207 4.167 3.960 0.000 0.000 0.682 2203 G HA3 0.207 4.167 3.960 0.000 0.000 0.682 2203 G C -3.433 171.655 174.900 0.312 0.000 1.303 2203 G CA -0.367 44.830 45.100 0.162 0.000 0.966 2203 G HN 0.814 nan 8.290 nan 0.000 0.560 2204 P HA 0.273 nan 4.420 nan 0.000 0.276 2204 P C 0.491 177.842 177.300 0.086 0.000 1.252 2204 P CA -0.399 62.759 63.100 0.097 0.000 0.802 2204 P CB 0.768 32.497 31.700 0.050 0.000 1.035 2205 N N 1.446 120.146 118.700 -0.000 0.000 2.094 2205 N HA -0.189 4.551 4.740 0.000 0.000 0.191 2205 N C 1.159 176.664 175.510 -0.009 0.000 1.023 2205 N CA 1.691 54.716 53.050 -0.042 0.000 0.857 2205 N CB -0.902 37.538 38.487 -0.077 0.000 1.013 2205 N HN 0.578 nan 8.380 nan 0.000 0.426 2206 N N -0.716 117.984 118.700 0.000 0.000 2.314 2206 N HA 0.029 4.769 4.740 0.000 0.000 0.200 2206 N C -0.247 175.268 175.510 0.009 0.000 1.135 2206 N CA 0.193 53.242 53.050 -0.002 0.000 0.835 2206 N CB 0.054 38.540 38.487 -0.002 0.000 0.989 2206 N HN -0.006 nan 8.380 nan 0.000 0.478 2207 N N -0.367 118.350 118.700 0.028 0.000 2.498 2207 N HA 0.221 4.961 4.740 0.000 0.000 0.272 2207 N C -1.080 174.457 175.510 0.044 0.000 1.534 2207 N CA -0.106 52.962 53.050 0.030 0.000 0.873 2207 N CB 1.084 39.589 38.487 0.030 0.000 1.415 2207 N HN 0.329 nan 8.380 nan 0.000 0.496 2208 A N 0.547 123.407 122.820 0.067 0.000 2.296 2208 A HA 0.741 5.061 4.320 0.000 0.000 0.264 2208 A C 0.435 178.009 177.584 -0.018 0.000 1.097 2208 A CA -0.016 52.073 52.037 0.088 0.000 0.811 2208 A CB 0.424 19.575 19.000 0.252 0.000 1.072 2208 A HN 0.289 nan 8.150 nan 0.000 0.495 2209 S N -1.139 114.517 115.700 -0.072 0.000 2.556 2209 S HA 0.766 5.236 4.470 0.000 0.000 0.271 2209 S C -0.622 173.912 174.600 -0.110 0.000 1.135 2209 S CA -0.141 58.019 58.200 -0.067 0.000 0.858 2209 S CB 1.417 64.597 63.200 -0.033 0.000 1.114 2209 S HN 1.984 nan 8.310 nan 0.000 0.468 2210 A N 1.328 124.116 122.820 -0.053 0.000 2.324 2210 A HA 0.804 5.124 4.320 0.000 0.000 0.330 2210 A C -0.671 176.913 177.584 -0.000 0.000 1.165 2210 A CA -0.829 51.182 52.037 -0.042 0.000 0.813 2210 A CB 1.046 20.055 19.000 0.016 0.000 1.197 2210 A HN 1.037 nan 8.150 nan 0.000 0.484 2211 V N 2.680 122.607 119.914 0.022 0.000 2.417 2211 V HA 0.412 4.532 4.120 0.000 0.000 0.291 2211 V C -0.334 175.824 176.094 0.107 0.000 1.024 2211 V CA -0.489 61.835 62.300 0.041 0.000 0.861 2211 V CB 1.472 33.355 31.823 0.101 0.000 0.985 2211 V HN 0.619 nan 8.190 nan 0.000 0.436 2212 V N 4.223 124.131 119.914 -0.011 0.000 2.370 2212 V HA 0.461 4.581 4.120 0.000 0.000 0.283 2212 V C -0.801 175.281 176.094 -0.020 0.000 1.023 2212 V CA -0.613 61.671 62.300 -0.027 0.000 0.857 2212 V CB 1.284 32.992 31.823 -0.191 0.000 0.985 2212 V HN 0.867 nan 8.190 nan 0.000 0.443 2213 W N 3.855 125.118 121.300 -0.062 0.000 2.578 2213 W HA 0.691 5.351 4.660 0.000 0.000 0.346 2213 W C -0.657 175.910 176.519 0.079 0.000 1.075 2213 W CA -0.881 56.466 57.345 0.004 0.000 1.233 2213 W CB 1.192 30.648 29.460 -0.007 0.000 1.358 2213 W HN 0.542 nan 8.180 nan 0.000 0.574 2214 Y N 0.450 120.850 120.300 0.167 0.000 2.401 2214 Y HA 0.445 4.995 4.550 0.000 0.000 0.330 2214 Y C 0.786 176.740 175.900 0.090 0.000 1.071 2214 Y CA -0.319 57.832 58.100 0.085 0.000 1.049 2214 Y CB 1.976 40.460 38.460 0.040 0.000 1.239 2214 Y HN 0.766 nan 8.280 nan 0.000 0.437 2215 G N 3.201 111.721 108.800 -0.467 0.000 2.258 2215 G HA2 -0.078 3.883 3.960 0.000 0.000 0.274 2215 G HA3 -0.078 3.883 3.960 0.000 0.000 0.274 2215 G C 0.987 175.863 174.900 -0.040 0.000 1.021 2215 G CA 0.830 45.748 45.100 -0.305 0.000 0.798 2215 G HN 2.152 nan 8.290 nan 0.000 0.507 2216 G N -1.874 106.973 108.800 0.079 0.000 2.153 2216 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 2216 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 2216 G C 0.276 175.431 174.900 0.425 0.000 0.994 2216 G CA 1.112 46.338 45.100 0.209 0.000 0.698 2216 G HN 1.076 nan 8.290 nan 0.000 0.521 2217 R N 0.272 120.990 120.500 0.363 0.000 2.750 2217 R HA 0.512 4.852 4.340 0.000 0.000 0.281 2217 R C -2.651 173.548 176.300 -0.168 0.000 0.972 2217 R CA -2.097 54.080 56.100 0.129 0.000 0.912 2217 R CB 2.449 32.776 30.300 0.045 0.000 1.187 2217 R HN 0.061 nan 8.270 nan 0.000 0.464 2218 P HA 0.066 nan 4.420 nan 0.000 0.271 2218 P C -0.112 176.951 177.300 -0.396 0.000 1.220 2218 P CA 0.058 62.568 63.100 -0.984 0.000 0.768 2218 P CB 0.938 31.995 31.700 -1.072 0.000 0.848 2219 I N 1.024 121.431 120.570 -0.272 0.000 3.812 2219 I HA 0.150 4.320 4.170 0.000 0.000 0.292 2219 I C 0.912 176.976 176.117 -0.087 0.000 1.206 2219 I CA 0.974 62.206 61.300 -0.112 0.000 1.370 2219 I CB -0.299 37.687 38.000 -0.024 0.000 1.328 2219 I HN 0.257 nan 8.210 nan 0.000 0.453 2220 T N 1.277 115.781 114.554 -0.083 0.000 2.896 2220 T HA 0.557 4.908 4.350 0.000 0.000 0.297 2220 T C -1.017 173.668 174.700 -0.026 0.000 1.108 2220 T CA -0.485 61.607 62.100 -0.014 0.000 1.004 2220 T CB 2.924 71.849 68.868 0.096 0.000 1.159 2220 T HN -0.105 nan 8.240 nan 0.000 0.499 2221 E N 0.962 121.167 120.200 0.007 0.000 2.266 2221 E HA 0.693 5.043 4.350 0.000 0.000 0.268 2221 E C -1.042 175.597 176.600 0.065 0.000 0.879 2221 E CA -0.511 55.898 56.400 0.014 0.000 0.762 2221 E CB 2.034 31.728 29.700 -0.010 0.000 1.199 2221 E HN 0.440 nan 8.360 nan 0.000 0.422 2222 I N 3.459 124.080 120.570 0.084 0.000 2.468 2222 I HA 0.332 4.502 4.170 0.000 0.000 0.284 2222 I C -2.375 173.809 176.117 0.112 0.000 1.038 2222 I CA -2.327 59.056 61.300 0.140 0.000 1.083 2222 I CB 1.920 40.058 38.000 0.231 0.000 1.223 2222 I HN 0.283 nan 8.210 nan 0.000 0.443 2223 P HA 0.059 nan 4.420 nan 0.000 0.274 2223 P C -0.096 177.254 177.300 0.083 0.000 1.231 2223 P CA -0.256 62.892 63.100 0.079 0.000 0.790 2223 P CB 0.986 32.735 31.700 0.082 0.000 0.951 2224 S N 1.270 116.958 115.700 -0.020 0.000 2.552 2224 S HA 0.050 4.520 4.470 0.000 0.000 0.289 2224 S C 0.472 175.068 174.600 -0.006 0.000 1.304 2224 S CA -0.372 57.738 58.200 -0.150 0.000 1.063 2224 S CB -0.287 62.844 63.200 -0.114 0.000 0.848 2224 S HN 0.583 nan 8.310 nan 0.000 0.499 2225 W N 3.266 124.583 121.300 0.028 0.000 3.103 2225 W HA 0.637 5.297 4.660 0.000 0.000 0.325 2225 W C 0.923 177.452 176.519 0.016 0.000 1.170 2225 W CA 0.028 57.384 57.345 0.018 0.000 1.712 2225 W CB -0.342 29.125 29.460 0.013 0.000 1.068 2225 W HN 0.663 nan 8.180 nan 0.000 0.592 2226 A N 0.507 123.325 122.820 -0.004 0.000 2.551 2226 A HA 0.594 4.915 4.320 0.000 0.000 0.252 2226 A C 1.738 179.312 177.584 -0.017 0.000 1.199 2226 A CA 0.315 52.380 52.037 0.046 0.000 0.972 2226 A CB -0.481 18.553 19.000 0.057 0.000 1.153 2226 A HN 0.802 nan 8.150 nan 0.000 0.559 2227 G N 0.265 109.033 108.800 -0.053 0.000 2.221 2227 G HA2 -0.249 3.711 3.960 0.000 0.000 0.265 2227 G HA3 -0.249 3.711 3.960 0.000 0.000 0.265 2227 G C -0.175 174.698 174.900 -0.045 0.000 1.041 2227 G CA 0.472 45.552 45.100 -0.034 0.000 0.807 2227 G HN 0.779 nan 8.290 nan 0.000 0.502 2228 N N -0.027 118.627 118.700 -0.076 0.000 2.710 2228 N HA 0.334 5.074 4.740 0.000 0.000 0.244 2228 N C 0.628 176.091 175.510 -0.078 0.000 1.321 2228 N CA -0.377 52.633 53.050 -0.066 0.000 0.758 2228 N CB -0.205 38.250 38.487 -0.053 0.000 1.284 2228 N HN 0.742 nan 8.380 nan 0.000 0.530 2229 I N 1.076 121.614 120.570 -0.055 0.000 7.154 2229 I HA -0.333 3.837 4.170 0.000 0.000 0.126 2229 I C 0.062 176.189 176.117 0.016 0.000 1.808 2229 I CA 0.035 61.321 61.300 -0.023 0.000 2.123 2229 I CB -0.807 37.109 38.000 -0.140 0.000 3.552 2229 I HN 0.390 nan 8.210 nan 0.000 0.195 2230 L N 5.578 126.782 121.223 -0.033 0.000 2.615 2230 L HA 0.118 4.458 4.340 0.000 0.000 0.284 2230 L C 0.859 177.766 176.870 0.061 0.000 1.237 2230 L CA 1.122 55.858 54.840 -0.174 0.000 0.905 2230 L CB 0.130 42.009 42.059 -0.300 0.000 1.149 2230 L HN 0.572 nan 8.230 nan 0.000 0.499 2231 R N 2.328 122.837 120.500 0.015 0.000 2.733 2231 R HA 0.723 5.063 4.340 0.000 0.000 0.272 2231 R C -0.999 175.343 176.300 0.070 0.000 1.029 2231 R CA -0.598 55.583 56.100 0.136 0.000 0.888 2231 R CB 1.376 31.784 30.300 0.180 0.000 1.251 2231 R HN 0.548 nan 8.270 nan 0.000 0.464 2232 T N -1.469 113.135 114.554 0.084 0.000 2.572 2232 T HA 0.176 4.526 4.350 0.000 0.000 0.274 2232 T C 0.252 174.968 174.700 0.026 0.000 0.949 2232 T CA -0.331 61.797 62.100 0.046 0.000 1.126 2232 T CB 1.441 70.332 68.868 0.037 0.000 1.478 2232 T HN 0.647 nan 8.240 nan 0.000 0.492 2233 Q N -0.023 119.765 119.800 -0.019 0.000 2.167 2233 Q HA 0.014 4.354 4.340 0.000 0.000 0.202 2233 Q C -0.058 175.904 176.000 -0.064 0.000 0.970 2233 Q CA 1.226 56.996 55.803 -0.054 0.000 0.855 2233 Q CB 0.118 28.798 28.738 -0.096 0.000 0.911 2233 Q HN 0.590 nan 8.270 nan 0.000 0.438 2234 E N -0.491 119.657 120.200 -0.086 0.000 2.971 2234 E HA -0.184 4.166 4.350 0.000 0.000 0.278 2234 E C -0.419 175.979 176.600 -0.337 0.000 1.009 2234 E CA 1.212 57.578 56.400 -0.057 0.000 0.862 2234 E CB -2.177 27.648 29.700 0.207 0.000 1.436 2234 E HN 0.464 nan 8.360 nan 0.000 0.434 2235 S N -1.536 113.780 115.700 -0.639 0.000 2.727 2235 S HA 0.490 4.961 4.470 0.000 0.000 0.278 2235 S C -0.335 173.821 174.600 -0.740 0.000 1.186 2235 S CA -0.673 57.003 58.200 -0.874 0.000 0.836 2235 S CB 1.901 65.057 63.200 -0.073 0.000 1.186 2235 S HN 0.213 nan 8.310 nan 0.000 0.499 2236 E N 0.086 120.075 120.200 -0.350 0.000 2.373 2236 E HA 0.445 4.795 4.350 0.000 0.000 0.267 2236 E C 0.563 177.137 176.600 -0.044 0.000 1.032 2236 E CA -0.913 55.406 56.400 -0.135 0.000 0.889 2236 E CB 0.216 29.956 29.700 0.066 0.000 0.984 2236 E HN 0.821 nan 8.360 nan 0.000 0.425 2237 c N 2.007 120.589 118.600 -0.030 0.000 2.644 2237 c HA 0.781 5.351 4.570 0.000 0.000 0.330 2237 c C 0.198 174.325 174.090 0.062 0.000 1.606 2237 c CA -0.809 55.524 56.329 0.006 0.000 2.115 2237 c CB -0.187 42.323 42.510 -0.000 0.000 1.990 2237 c HN 0.622 nan 8.230 nan 0.000 0.581 2238 V N -0.952 118.984 119.914 0.037 0.000 3.012 2238 V HA 0.591 4.711 4.120 0.000 0.000 0.307 2238 V C -0.515 175.570 176.094 -0.015 0.000 1.166 2238 V CA -0.272 62.028 62.300 0.001 0.000 0.974 2238 V CB 1.313 33.110 31.823 -0.043 0.000 1.040 2238 V HN 1.201 nan 8.190 nan 0.000 0.428 2239 c N 2.167 120.736 118.600 -0.051 0.000 2.707 2239 c HA 0.742 5.313 4.570 0.000 0.000 0.313 2239 c C -0.567 173.526 174.090 0.005 0.000 1.209 2239 c CA -0.562 55.771 56.329 0.006 0.000 1.635 2239 c CB 1.428 43.981 42.510 0.071 0.000 2.206 2239 c HN 1.043 nan 8.230 nan 0.000 0.485 2240 H N 1.385 120.405 119.070 -0.084 0.000 3.018 2240 H HA 0.237 4.793 4.556 0.000 0.000 0.334 2240 H C -0.435 174.837 175.328 -0.093 0.000 0.983 2240 H CA -0.197 55.808 56.048 -0.073 0.000 1.363 2240 H CB 0.595 30.326 29.762 -0.052 0.000 1.668 2240 H HN 0.901 nan 8.280 nan 0.000 0.513 2241 K N 3.301 123.424 120.400 -0.461 0.000 3.069 2241 K HA -0.228 4.092 4.320 0.000 0.000 0.267 2241 K C 0.838 177.039 176.600 -0.665 0.000 1.082 2241 K CA 0.896 56.936 56.287 -0.412 0.000 0.782 2241 K CB -1.446 30.799 32.500 -0.425 0.000 1.230 2241 K HN 1.082 nan 8.250 nan 0.000 0.488 2242 G N -1.321 106.973 108.800 -0.843 0.000 2.179 2242 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 2242 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 2242 G C 0.111 174.714 174.900 -0.494 0.000 0.977 2242 G CA 0.162 44.526 45.100 -1.227 0.000 0.641 2242 G HN 0.249 nan 8.290 nan 0.000 0.533 2243 V N 0.807 120.568 119.914 -0.255 0.000 2.394 2243 V HA 0.524 4.644 4.120 0.000 0.000 0.282 2243 V C 0.441 176.554 176.094 0.032 0.000 1.031 2243 V CA -0.433 61.826 62.300 -0.068 0.000 0.881 2243 V CB 1.568 33.386 31.823 -0.009 0.000 0.982 2243 V HN 0.451 nan 8.190 nan 0.000 0.451 2244 c N 7.293 125.950 118.600 0.095 0.000 2.321 2244 c HA 0.506 5.076 4.570 0.000 0.000 0.323 2244 c C -2.489 171.680 174.090 0.132 0.000 1.191 2244 c CA -1.588 54.809 56.329 0.113 0.000 1.455 2244 c CB 0.683 43.270 42.510 0.128 0.000 2.083 2244 c HN 0.600 nan 8.230 nan 0.000 0.442 2245 P HA 0.475 nan 4.420 nan 0.000 0.278 2245 P C -0.682 176.558 177.300 -0.100 0.000 1.238 2245 P CA -0.071 62.899 63.100 -0.217 0.000 0.794 2245 P CB 0.917 32.401 31.700 -0.359 0.000 0.955 2246 V N 3.067 122.918 119.914 -0.105 0.000 2.709 2246 V HA 0.301 4.421 4.120 0.000 0.000 0.308 2246 V C -0.271 175.781 176.094 -0.070 0.000 1.062 2246 V CA -0.771 61.532 62.300 0.004 0.000 0.901 2246 V CB 2.597 34.548 31.823 0.214 0.000 1.003 2246 V HN 0.185 nan 8.190 nan 0.000 0.425 2247 V N 5.697 125.576 119.914 -0.059 0.000 2.394 2247 V HA 0.565 4.685 4.120 0.000 0.000 0.282 2247 V C -0.040 176.064 176.094 0.018 0.000 1.031 2247 V CA -0.227 62.036 62.300 -0.063 0.000 0.881 2247 V CB 1.336 33.105 31.823 -0.089 0.000 0.982 2247 V HN 0.825 nan 8.190 nan 0.000 0.451 2248 M N 3.404 123.054 119.600 0.084 0.000 2.591 2248 M HA 0.625 5.105 4.480 0.000 0.000 0.306 2248 M C -0.603 175.819 176.300 0.204 0.000 1.190 2248 M CA -0.354 55.045 55.300 0.164 0.000 0.889 2248 M CB 2.759 35.548 32.600 0.316 0.000 1.728 2248 M HN 0.533 nan 8.290 nan 0.000 0.458 2249 T N 0.360 114.978 114.554 0.107 0.000 2.893 2249 T HA 0.505 4.855 4.350 0.000 0.000 0.293 2249 T C -1.669 172.996 174.700 -0.058 0.000 1.027 2249 T CA -0.633 61.513 62.100 0.077 0.000 0.988 2249 T CB 1.910 70.765 68.868 -0.023 0.000 1.043 2249 T HN 0.577 nan 8.240 nan 0.000 0.461 2250 D N 0.415 120.778 120.400 -0.062 0.000 2.936 2250 D HA 0.649 5.290 4.640 0.000 0.000 0.238 2250 D C -0.101 176.160 176.300 -0.065 0.000 1.248 2250 D CA 0.349 54.200 54.000 -0.248 0.000 0.903 2250 D CB 1.681 41.979 40.800 -0.837 0.000 1.544 2250 D HN 0.986 nan 8.370 nan 0.000 0.543 2251 G N 2.681 111.447 108.800 -0.056 0.000 2.359 2251 G HA2 0.118 4.078 3.960 0.000 0.000 0.303 2251 G HA3 0.118 4.078 3.960 0.000 0.000 0.303 2251 G C -3.048 171.847 174.900 -0.008 0.000 1.293 2251 G CA -0.951 44.140 45.100 -0.014 0.000 0.964 2251 G HN 0.380 nan 8.290 nan 0.000 0.531 2252 P HA 0.432 nan 4.420 nan 0.000 0.270 2252 P C 0.780 178.105 177.300 0.042 0.000 1.223 2252 P CA 0.780 63.856 63.100 -0.040 0.000 0.785 2252 P CB 1.014 32.638 31.700 -0.127 0.000 0.923 2253 A N 2.305 125.132 122.820 0.011 0.000 2.072 2253 A HA -0.066 4.254 4.320 0.000 0.000 0.216 2253 A C 1.113 178.620 177.584 -0.129 0.000 1.156 2253 A CA 0.965 53.035 52.037 0.056 0.000 0.701 2253 A CB -0.816 18.209 19.000 0.041 0.000 0.816 2253 A HN 0.677 nan 8.150 nan 0.000 0.458 2254 N N -0.597 117.984 118.700 -0.198 0.000 2.338 2254 N HA 0.177 4.917 4.740 0.000 0.000 0.251 2254 N C -0.555 174.597 175.510 -0.597 0.000 1.199 2254 N CA -0.276 52.635 53.050 -0.233 0.000 0.879 2254 N CB -0.116 38.322 38.487 -0.081 0.000 1.159 2254 N HN 0.247 nan 8.380 nan 0.000 0.514 2255 N N 0.186 118.285 118.700 -1.003 0.000 3.356 2255 N HA 0.172 4.912 4.740 0.000 0.000 0.246 2255 N C -1.562 173.148 175.510 -1.333 0.000 1.480 2255 N CA -0.616 51.474 53.050 -1.601 0.000 0.877 2255 N CB 1.464 39.519 38.487 -0.720 0.000 1.431 2255 N HN 0.153 nan 8.380 nan 0.000 0.500 2256 R N 0.679 120.385 120.500 -1.324 0.000 2.537 2256 R HA 0.432 4.772 4.340 0.000 0.000 0.281 2256 R C -0.477 175.732 176.300 -0.151 0.000 0.988 2256 R CA 0.504 56.311 56.100 -0.489 0.000 1.077 2256 R CB -0.198 29.978 30.300 -0.205 0.000 0.932 2256 R HN 0.512 nan 8.270 nan 0.000 0.409 2257 A N 3.133 125.976 122.820 0.038 0.000 2.443 2257 A HA 0.786 5.106 4.320 0.000 0.000 0.278 2257 A C -1.364 176.270 177.584 0.084 0.000 1.252 2257 A CA -0.427 51.641 52.037 0.050 0.000 0.816 2257 A CB 1.690 20.726 19.000 0.060 0.000 1.369 2257 A HN 0.785 nan 8.150 nan 0.000 0.446 2258 A N 0.481 123.384 122.820 0.139 0.000 2.293 2258 A HA 0.648 4.968 4.320 0.000 0.000 0.312 2258 A C -0.207 177.565 177.584 0.313 0.000 1.309 2258 A CA -0.239 51.934 52.037 0.227 0.000 0.839 2258 A CB -0.037 19.164 19.000 0.335 0.000 1.155 2258 A HN 0.678 nan 8.150 nan 0.000 0.501 2259 T N 2.385 117.037 114.554 0.164 0.000 2.895 2259 T HA 0.549 4.899 4.350 0.000 0.000 0.283 2259 T C -0.169 174.567 174.700 0.060 0.000 1.014 2259 T CA -0.286 61.899 62.100 0.142 0.000 1.037 2259 T CB 1.093 69.980 68.868 0.033 0.000 1.006 2259 T HN 0.641 nan 8.240 nan 0.000 0.468 2260 K N 1.650 122.079 120.400 0.049 0.000 2.482 2260 K HA 0.607 4.927 4.320 0.000 0.000 0.257 2260 K C -1.129 175.380 176.600 -0.152 0.000 0.969 2260 K CA -0.968 55.240 56.287 -0.132 0.000 0.842 2260 K CB 1.918 34.194 32.500 -0.373 0.000 1.359 2260 K HN 0.338 nan 8.250 nan 0.000 0.441 2261 I N 3.422 123.839 120.570 -0.255 0.000 2.355 2261 I HA 0.393 4.563 4.170 0.000 0.000 0.288 2261 I C -0.284 175.598 176.117 -0.391 0.000 0.999 2261 I CA -0.482 60.587 61.300 -0.384 0.000 1.163 2261 I CB 0.876 38.527 38.000 -0.583 0.000 1.316 2261 I HN 0.488 nan 8.210 nan 0.000 0.454 2262 I N 6.454 126.783 120.570 -0.402 0.000 2.378 2262 I HA 0.306 4.476 4.170 0.000 0.000 0.291 2262 I C -0.988 174.754 176.117 -0.625 0.000 0.992 2262 I CA -0.823 60.206 61.300 -0.450 0.000 1.154 2262 I CB 1.465 39.214 38.000 -0.418 0.000 1.315 2262 I HN 0.332 nan 8.210 nan 0.000 0.448 2263 Y N 5.771 125.784 120.300 -0.477 0.000 2.353 2263 Y HA 0.460 5.010 4.550 0.000 0.000 0.340 2263 Y C -0.305 175.318 175.900 -0.461 0.000 0.972 2263 Y CA -0.507 57.396 58.100 -0.329 0.000 1.157 2263 Y CB 0.658 39.001 38.460 -0.194 0.000 1.157 2263 Y HN 0.303 nan 8.280 nan 0.000 0.495 2264 F N 2.243 122.219 119.950 0.044 0.000 2.432 2264 F HA 0.578 5.106 4.527 0.000 0.000 0.329 2264 F C 0.050 175.811 175.800 -0.066 0.000 1.076 2264 F CA -1.113 56.876 58.000 -0.017 0.000 1.018 2264 F CB 1.705 40.688 39.000 -0.029 0.000 1.201 2264 F HN 0.214 nan 8.300 nan 0.000 0.489 2265 K N 1.571 122.023 120.400 0.087 0.000 2.637 2265 K HA 0.273 4.593 4.320 0.000 0.000 0.248 2265 K C -0.813 175.671 176.600 -0.194 0.000 0.971 2265 K CA -0.376 55.862 56.287 -0.081 0.000 0.858 2265 K CB 0.712 33.148 32.500 -0.106 0.000 1.170 2265 K HN 0.738 nan 8.250 nan 0.000 0.443 2266 E N 2.749 122.669 120.200 -0.466 0.000 2.360 2266 E HA -0.275 4.075 4.350 0.000 0.000 0.238 2266 E C 0.532 176.699 176.600 -0.722 0.000 1.186 2266 E CA 0.717 56.388 56.400 -1.215 0.000 0.719 2266 E CB -1.529 27.753 29.700 -0.697 0.000 1.236 2266 E HN 1.156 nan 8.360 nan 0.000 0.386 2267 G N -0.131 108.471 108.800 -0.330 0.000 2.189 2267 G HA2 -0.398 3.563 3.960 0.000 0.000 0.267 2267 G HA3 -0.398 3.563 3.960 0.000 0.000 0.267 2267 G C 0.196 175.177 174.900 0.134 0.000 0.975 2267 G CA 1.030 46.093 45.100 -0.063 0.000 0.644 2267 G HN 0.312 nan 8.290 nan 0.000 0.537 2268 K N -0.058 120.410 120.400 0.113 0.000 2.130 2268 K HA 0.616 4.936 4.320 0.000 0.000 0.268 2268 K C 0.500 177.182 176.600 0.138 0.000 0.983 2268 K CA -0.893 55.466 56.287 0.121 0.000 0.893 2268 K CB 1.602 34.111 32.500 0.016 0.000 1.066 2268 K HN 0.205 nan 8.250 nan 0.000 0.450 2269 I N 3.581 124.180 120.570 0.049 0.000 2.533 2269 I HA -0.092 4.078 4.170 0.000 0.000 0.284 2269 I C 1.292 177.334 176.117 -0.126 0.000 1.109 2269 I CA 0.028 61.229 61.300 -0.165 0.000 1.412 2269 I CB 0.792 38.693 38.000 -0.165 0.000 1.396 2269 I HN 0.517 nan 8.210 nan 0.000 0.543 2270 Q N 5.169 124.879 119.800 -0.150 0.000 2.297 2270 Q HA 0.208 4.548 4.340 0.000 0.000 0.203 2270 Q C 0.287 176.217 176.000 -0.118 0.000 0.931 2270 Q CA 0.715 56.454 55.803 -0.108 0.000 0.885 2270 Q CB 0.535 29.216 28.738 -0.095 0.000 0.991 2270 Q HN 0.597 nan 8.270 nan 0.000 0.498 2271 K N -0.438 119.893 120.400 -0.115 0.000 2.675 2271 K HA 0.403 4.723 4.320 0.000 0.000 0.280 2271 K C -1.847 174.736 176.600 -0.028 0.000 0.993 2271 K CA -0.328 55.902 56.287 -0.094 0.000 0.863 2271 K CB 1.166 33.558 32.500 -0.179 0.000 1.438 2271 K HN -0.045 nan 8.250 nan 0.000 0.389 2272 I N 2.377 122.915 120.570 -0.054 0.000 2.498 2272 I HA 0.348 4.518 4.170 0.000 0.000 0.290 2272 I C -0.779 175.311 176.117 -0.046 0.000 1.032 2272 I CA -0.582 60.670 61.300 -0.080 0.000 1.073 2272 I CB 2.191 40.089 38.000 -0.169 0.000 1.251 2272 I HN 0.498 nan 8.210 nan 0.000 0.426 2273 E N 4.820 125.009 120.200 -0.018 0.000 2.266 2273 E HA 0.396 4.746 4.350 0.000 0.000 0.268 2273 E C -1.218 175.351 176.600 -0.051 0.000 0.879 2273 E CA -0.870 55.543 56.400 0.021 0.000 0.762 2273 E CB 2.441 32.249 29.700 0.179 0.000 1.199 2273 E HN 0.490 nan 8.360 nan 0.000 0.422 2274 E N 1.199 121.382 120.200 -0.029 0.000 2.366 2274 E HA 0.116 4.466 4.350 0.000 0.000 0.266 2274 E C -0.369 176.286 176.600 0.091 0.000 1.051 2274 E CA -0.579 55.802 56.400 -0.032 0.000 0.884 2274 E CB 0.776 30.452 29.700 -0.039 0.000 1.006 2274 E HN 0.210 nan 8.360 nan 0.000 0.417 2275 L N 2.312 123.576 121.223 0.068 0.000 2.578 2275 L HA 0.099 4.439 4.340 0.000 0.000 0.279 2275 L C -0.550 176.446 176.870 0.211 0.000 1.227 2275 L CA 0.747 55.699 54.840 0.186 0.000 0.900 2275 L CB -0.030 42.080 42.059 0.085 0.000 1.144 2275 L HN 0.590 nan 8.230 nan 0.000 0.496 2276 A N 3.522 126.506 122.820 0.273 0.000 2.387 2276 A HA 0.958 5.278 4.320 0.000 0.000 0.303 2276 A C 0.319 177.898 177.584 -0.009 0.000 1.145 2276 A CA -0.008 52.038 52.037 0.015 0.000 0.801 2276 A CB 0.884 19.772 19.000 -0.187 0.000 1.342 2276 A HN 1.816 nan 8.150 nan 0.000 0.440 2277 G N 0.162 108.947 108.800 -0.025 0.000 2.587 2277 G HA2 -0.139 3.821 3.960 0.000 0.000 0.212 2277 G HA3 -0.139 3.821 3.960 0.000 0.000 0.212 2277 G C -0.091 174.825 174.900 0.027 0.000 1.327 2277 G CA 0.151 45.243 45.100 -0.014 0.000 0.898 2277 G HN 0.879 nan 8.290 nan 0.000 0.551 2278 N N 0.953 119.673 118.700 0.034 0.000 2.280 2278 N HA 0.418 5.158 4.740 0.000 0.000 0.192 2278 N C 1.032 176.614 175.510 0.120 0.000 1.109 2278 N CA 0.866 53.970 53.050 0.089 0.000 0.855 2278 N CB 0.472 39.027 38.487 0.114 0.000 0.974 2278 N HN 1.081 nan 8.380 nan 0.000 0.482 2279 A N 0.608 123.404 122.820 -0.041 0.000 2.488 2279 A HA 0.106 4.426 4.320 0.000 0.000 0.249 2279 A C 1.023 178.660 177.584 0.088 0.000 1.083 2279 A CA -0.008 51.902 52.037 -0.211 0.000 0.768 2279 A CB 0.421 19.231 19.000 -0.316 0.000 1.017 2279 A HN 0.227 nan 8.150 nan 0.000 0.496 2280 Q N -0.066 119.896 119.800 0.270 0.000 2.396 2280 Q HA 0.072 4.412 4.340 0.000 0.000 0.209 2280 Q C -0.306 175.998 176.000 0.506 0.000 0.906 2280 Q CA 0.663 56.678 55.803 0.352 0.000 0.927 2280 Q CB 0.342 29.244 28.738 0.274 0.000 1.069 2280 Q HN 0.886 nan 8.270 nan 0.000 0.523 2281 H N -0.582 118.665 119.070 0.294 0.000 3.038 2281 H HA 0.401 4.957 4.556 0.000 0.000 0.362 2281 H C -1.737 173.676 175.328 0.143 0.000 1.167 2281 H CA -0.668 55.544 56.048 0.273 0.000 1.197 2281 H CB 1.162 31.162 29.762 0.397 0.000 1.840 2281 H HN -0.132 nan 8.280 nan 0.000 0.540 2282 I N 3.708 124.119 120.570 -0.266 0.000 2.582 2282 I HA 0.381 4.551 4.170 0.000 0.000 0.292 2282 I C -0.751 175.238 176.117 -0.214 0.000 1.066 2282 I CA -0.680 60.522 61.300 -0.164 0.000 1.053 2282 I CB 1.830 39.769 38.000 -0.101 0.000 1.241 2282 I HN 0.658 nan 8.210 nan 0.000 0.421 2283 E N 4.147 124.301 120.200 -0.076 0.000 2.390 2283 E HA 0.298 4.649 4.350 0.000 0.000 0.277 2283 E C -0.846 175.737 176.600 -0.028 0.000 0.939 2283 E CA -0.681 55.699 56.400 -0.033 0.000 0.769 2283 E CB 2.169 31.892 29.700 0.038 0.000 1.251 2283 E HN 0.513 nan 8.360 nan 0.000 0.450 2284 E N -0.075 120.110 120.200 -0.024 0.000 2.269 2284 E HA -0.206 4.145 4.350 0.000 0.000 0.223 2284 E C -0.628 175.938 176.600 -0.057 0.000 1.244 2284 E CA 0.233 56.603 56.400 -0.050 0.000 0.713 2284 E CB -1.728 27.900 29.700 -0.120 0.000 1.178 2284 E HN 0.384 nan 8.360 nan 0.000 0.370 2285 c N 1.304 119.877 118.600 -0.045 0.000 2.634 2285 c HA 0.134 4.704 4.570 0.000 0.000 0.418 2285 c C 1.155 175.228 174.090 -0.028 0.000 1.373 2285 c CA -0.101 56.205 56.329 -0.040 0.000 1.756 2285 c CB 0.133 42.613 42.510 -0.050 0.000 2.589 2285 c HN 0.343 nan 8.230 nan 0.000 0.602 2286 S N 2.321 118.023 115.700 0.003 0.000 2.438 2286 S HA 0.512 4.982 4.470 0.000 0.000 0.316 2286 S C -0.367 174.266 174.600 0.055 0.000 1.084 2286 S CA -0.495 57.728 58.200 0.039 0.000 1.107 2286 S CB 0.544 63.797 63.200 0.087 0.000 0.981 2286 S HN 0.853 nan 8.310 nan 0.000 0.466 2287 c N 3.259 121.899 118.600 0.067 0.000 2.614 2287 c HA 0.911 5.481 4.570 0.000 0.000 0.320 2287 c C -0.709 173.501 174.090 0.201 0.000 1.200 2287 c CA -1.020 55.346 56.329 0.063 0.000 1.700 2287 c CB 0.388 42.895 42.510 -0.006 0.000 2.275 2287 c HN 0.963 nan 8.230 nan 0.000 0.492 2288 Y N -0.726 119.635 120.300 0.101 0.000 2.625 2288 Y HA 0.832 5.382 4.550 0.000 0.000 0.338 2288 Y C -0.275 175.745 175.900 0.200 0.000 1.123 2288 Y CA -0.955 57.285 58.100 0.233 0.000 1.046 2288 Y CB 0.882 39.556 38.460 0.355 0.000 1.299 2288 Y HN 0.859 nan 8.280 nan 0.000 0.464 2289 G N 0.245 109.225 108.800 0.299 0.000 2.453 2289 G HA2 0.835 4.795 3.960 0.000 0.000 0.323 2289 G HA3 0.835 4.795 3.960 0.000 0.000 0.323 2289 G C -1.694 173.441 174.900 0.391 0.000 1.198 2289 G CA -0.665 44.497 45.100 0.102 0.000 0.959 2289 G HN 1.474 nan 8.290 nan 0.000 0.482 2290 A N -0.299 122.712 122.820 0.317 0.000 2.565 2290 A HA 0.693 5.013 4.320 0.000 0.000 0.298 2290 A C 0.540 178.266 177.584 0.236 0.000 1.062 2290 A CA 0.419 52.735 52.037 0.464 0.000 0.723 2290 A CB 0.724 20.033 19.000 0.515 0.000 1.282 2290 A HN 2.588 nan 8.150 nan 0.000 0.400 2291 G N 0.721 109.643 108.800 0.203 0.000 2.390 2291 G HA2 0.200 4.160 3.960 0.000 0.000 0.299 2291 G HA3 0.200 4.160 3.960 0.000 0.000 0.299 2291 G C 1.797 176.712 174.900 0.025 0.000 1.002 2291 G CA 1.729 46.882 45.100 0.089 0.000 0.979 2291 G HN 2.986 nan 8.290 nan 0.000 0.513 2292 G N -3.355 105.428 108.800 -0.028 0.000 2.160 2292 G HA2 0.045 4.005 3.960 0.000 0.000 0.251 2292 G HA3 0.045 4.005 3.960 0.000 0.000 0.251 2292 G C 0.203 174.989 174.900 -0.189 0.000 1.008 2292 G CA 0.564 45.531 45.100 -0.222 0.000 0.724 2292 G HN 1.707 nan 8.290 nan 0.000 0.514 2293 V N 0.641 120.496 119.914 -0.099 0.000 2.760 2293 V HA 0.599 4.719 4.120 0.000 0.000 0.309 2293 V C 0.215 176.244 176.094 -0.109 0.000 1.077 2293 V CA -0.937 61.314 62.300 -0.082 0.000 0.910 2293 V CB 2.125 33.928 31.823 -0.034 0.000 1.008 2293 V HN 0.282 nan 8.190 nan 0.000 0.424 2294 I N 4.118 124.614 120.570 -0.123 0.000 2.336 2294 I HA 0.480 4.651 4.170 0.000 0.000 0.292 2294 I C -0.032 175.956 176.117 -0.215 0.000 0.991 2294 I CA -0.468 60.726 61.300 -0.176 0.000 1.227 2294 I CB 1.374 39.306 38.000 -0.113 0.000 1.366 2294 I HN 0.470 nan 8.210 nan 0.000 0.466 2295 K N 5.229 125.391 120.400 -0.398 0.000 2.270 2295 K HA 0.639 4.959 4.320 0.000 0.000 0.255 2295 K C -1.558 174.894 176.600 -0.247 0.000 0.936 2295 K CA -0.574 55.522 56.287 -0.319 0.000 0.809 2295 K CB 2.239 34.529 32.500 -0.350 0.000 1.131 2295 K HN 0.544 nan 8.250 nan 0.000 0.427 2296 c N 3.503 122.035 118.600 -0.114 0.000 2.397 2296 c HA 0.507 5.077 4.570 0.000 0.000 0.325 2296 c C -0.701 173.367 174.090 -0.036 0.000 1.201 2296 c CA -0.931 55.359 56.329 -0.064 0.000 1.377 2296 c CB 0.047 42.514 42.510 -0.071 0.000 2.038 2296 c HN 0.666 nan 8.230 nan 0.000 0.457 2297 I N 3.073 123.640 120.570 -0.006 0.000 2.339 2297 I HA 0.553 4.723 4.170 0.000 0.000 0.290 2297 I C 0.358 176.468 176.117 -0.011 0.000 0.994 2297 I CA 0.462 61.758 61.300 -0.006 0.000 1.191 2297 I CB 0.738 38.743 38.000 0.008 0.000 1.343 2297 I HN 0.723 nan 8.210 nan 0.000 0.458 2298 c N 4.169 122.753 118.600 -0.026 0.000 3.292 2298 c HA 0.725 5.295 4.570 0.000 0.000 0.369 2298 c C -0.013 174.075 174.090 -0.003 0.000 2.360 2298 c CA -1.022 55.292 56.329 -0.025 0.000 1.526 2298 c CB 1.970 44.455 42.510 -0.042 0.000 2.784 2298 c HN 0.763 nan 8.230 nan 0.000 0.490 2299 R N 1.186 121.694 120.500 0.012 0.000 2.476 2299 R HA 0.396 4.737 4.340 0.000 0.000 0.305 2299 R C -1.857 174.529 176.300 0.143 0.000 0.965 2299 R CA -0.033 56.103 56.100 0.059 0.000 0.867 2299 R CB 1.121 31.434 30.300 0.021 0.000 1.176 2299 R HN 0.839 nan 8.270 nan 0.000 0.447 2300 D N 3.462 123.983 120.400 0.201 0.000 2.428 2300 D HA 0.055 4.695 4.640 0.000 0.000 0.221 2300 D C -0.112 176.368 176.300 0.301 0.000 1.123 2300 D CA -0.232 53.965 54.000 0.329 0.000 0.869 2300 D CB 1.097 42.107 40.800 0.351 0.000 1.032 2300 D HN 0.686 nan 8.370 nan 0.000 0.506 2301 N N 3.049 121.993 118.700 0.406 0.000 2.467 2301 N HA -0.028 4.712 4.740 0.000 0.000 0.184 2301 N C 0.902 176.447 175.510 0.058 0.000 1.106 2301 N CA 0.282 53.444 53.050 0.187 0.000 0.892 2301 N CB 0.079 38.694 38.487 0.213 0.000 0.969 2301 N HN 0.501 nan 8.380 nan 0.000 0.454 2302 W N 0.575 121.707 121.300 -0.279 0.000 2.560 2302 W HA 0.236 4.896 4.660 0.000 0.000 0.303 2302 W C 1.333 177.793 176.519 -0.097 0.000 1.151 2302 W CA 1.310 58.488 57.345 -0.279 0.000 1.426 2302 W CB -0.094 29.132 29.460 -0.390 0.000 1.135 2302 W HN -0.145 nan 8.180 nan 0.000 0.522 2303 K N -1.541 118.831 120.400 -0.047 0.000 2.494 2303 K HA 0.267 4.588 4.320 0.000 0.000 0.201 2303 K C 0.981 177.520 176.600 -0.101 0.000 1.338 2303 K CA 0.525 56.686 56.287 -0.209 0.000 0.935 2303 K CB -0.105 32.105 32.500 -0.485 0.000 1.514 2303 K HN -0.099 nan 8.250 nan 0.000 0.490 2304 G N 0.511 109.283 108.800 -0.047 0.000 2.378 2304 G HA2 0.323 4.283 3.960 0.000 0.000 0.255 2304 G HA3 0.323 4.283 3.960 0.000 0.000 0.255 2304 G C 0.490 175.402 174.900 0.019 0.000 1.270 2304 G CA 0.159 45.231 45.100 -0.046 0.000 0.876 2304 G HN 0.311 nan 8.290 nan 0.000 0.521 2305 A N 2.882 125.691 122.820 -0.019 0.000 2.178 2305 A HA 0.119 4.439 4.320 0.000 0.000 0.211 2305 A C 1.315 178.908 177.584 0.016 0.000 1.157 2305 A CA 0.038 52.078 52.037 0.005 0.000 0.780 2305 A CB -0.257 18.734 19.000 -0.014 0.000 0.828 2305 A HN 0.725 nan 8.150 nan 0.000 0.476 2306 N N 0.588 119.297 118.700 0.015 0.000 2.515 2306 N HA 0.253 4.993 4.740 0.000 0.000 0.279 2306 N C -0.655 174.971 175.510 0.193 0.000 1.164 2306 N CA -0.349 52.741 53.050 0.067 0.000 0.982 2306 N CB 0.591 39.098 38.487 0.034 0.000 1.170 2306 N HN 0.187 nan 8.380 nan 0.000 0.474 2307 R N 0.467 121.062 120.500 0.158 0.000 2.428 2307 R HA 0.422 4.762 4.340 0.000 0.000 0.294 2307 R C -2.260 174.098 176.300 0.096 0.000 1.000 2307 R CA -1.553 54.625 56.100 0.130 0.000 0.960 2307 R CB 0.895 31.217 30.300 0.037 0.000 1.076 2307 R HN 0.432 nan 8.270 nan 0.000 0.475 2308 P HA 0.082 nan 4.420 nan 0.000 0.272 2308 P C -0.903 176.295 177.300 -0.170 0.000 1.230 2308 P CA -0.250 62.627 63.100 -0.372 0.000 0.788 2308 P CB 0.733 32.205 31.700 -0.379 0.000 0.949 2309 V N 3.188 123.004 119.914 -0.163 0.000 2.577 2309 V HA 0.391 4.511 4.120 0.000 0.000 0.303 2309 V C -0.051 176.002 176.094 -0.068 0.000 1.042 2309 V CA -0.415 61.839 62.300 -0.076 0.000 0.872 2309 V CB 1.674 33.479 31.823 -0.029 0.000 0.998 2309 V HN 0.371 nan 8.190 nan 0.000 0.423 2310 I N 3.273 123.813 120.570 -0.049 0.000 2.377 2310 I HA 0.506 4.676 4.170 0.000 0.000 0.293 2310 I C -0.038 176.070 176.117 -0.015 0.000 0.987 2310 I CA -0.208 61.084 61.300 -0.014 0.000 1.185 2310 I CB 2.158 40.142 38.000 -0.027 0.000 1.341 2310 I HN 0.512 nan 8.210 nan 0.000 0.455 2311 T N 6.979 121.544 114.554 0.018 0.000 2.791 2311 T HA 0.582 4.932 4.350 0.000 0.000 0.288 2311 T C -0.200 174.527 174.700 0.046 0.000 0.999 2311 T CA -0.314 61.787 62.100 0.002 0.000 0.952 2311 T CB 0.851 69.720 68.868 0.002 0.000 0.938 2311 T HN 0.258 nan 8.240 nan 0.000 0.444 2312 I N 2.774 123.356 120.570 0.020 0.000 2.412 2312 I HA 0.343 4.513 4.170 0.000 0.000 0.296 2312 I C -0.221 175.924 176.117 0.048 0.000 0.987 2312 I CA -0.861 60.481 61.300 0.071 0.000 1.180 2312 I CB 1.624 39.642 38.000 0.031 0.000 1.340 2312 I HN 0.472 nan 8.210 nan 0.000 0.455 2313 D N 8.746 129.193 120.400 0.078 0.000 2.443 2313 D HA 0.235 4.875 4.640 0.000 0.000 0.221 2313 D C -1.704 174.635 176.300 0.065 0.000 1.097 2313 D CA -2.432 51.587 54.000 0.032 0.000 0.865 2313 D CB 1.580 42.386 40.800 0.011 0.000 1.034 2313 D HN 0.209 nan 8.370 nan 0.000 0.511 2314 P HA -0.056 nan 4.420 nan 0.000 0.226 2314 P C 0.710 178.062 177.300 0.087 0.000 1.153 2314 P CA 0.730 63.906 63.100 0.127 0.000 0.777 2314 P CB 0.742 32.519 31.700 0.128 0.000 0.794 2315 E N -0.686 119.554 120.200 0.066 0.000 2.075 2315 E HA 0.040 4.390 4.350 0.000 0.000 0.190 2315 E C 2.013 178.590 176.600 -0.039 0.000 0.969 2315 E CA 0.811 57.239 56.400 0.046 0.000 0.815 2315 E CB -0.218 29.530 29.700 0.080 0.000 0.776 2315 E HN 0.088 nan 8.360 nan 0.000 0.457 2316 M N -0.448 119.121 119.600 -0.052 0.000 2.419 2316 M HA 0.093 4.574 4.480 0.000 0.000 0.264 2316 M C 0.759 176.950 176.300 -0.182 0.000 1.082 2316 M CA 0.725 55.971 55.300 -0.090 0.000 1.119 2316 M CB -0.278 32.287 32.600 -0.057 0.000 1.398 2316 M HN 0.196 nan 8.290 nan 0.000 0.453 2317 M N 1.368 120.825 119.600 -0.240 0.000 2.503 2317 M HA -0.158 4.322 4.480 0.000 0.000 0.208 2317 M C -0.238 175.841 176.300 -0.368 0.000 0.434 2317 M CA 0.641 55.553 55.300 -0.647 0.000 0.551 2317 M CB -2.060 29.964 32.600 -0.961 0.000 2.025 2317 M HN 0.436 nan 8.290 nan 0.000 0.827 2318 T N -2.557 111.989 114.554 -0.013 0.000 2.907 2318 T HA 0.932 5.282 4.350 0.000 0.000 0.290 2318 T C -0.527 174.320 174.700 0.245 0.000 1.066 2318 T CA -0.648 61.522 62.100 0.117 0.000 1.012 2318 T CB 2.687 71.556 68.868 0.002 0.000 1.184 2318 T HN 0.471 nan 8.240 nan 0.000 0.522 2319 H N -1.126 117.974 119.070 0.050 0.000 2.960 2319 H HA 0.761 5.317 4.556 0.000 0.000 0.323 2319 H C -1.289 174.042 175.328 0.006 0.000 1.326 2319 H CA -0.704 55.362 56.048 0.031 0.000 1.124 2319 H CB 1.298 31.082 29.762 0.036 0.000 1.853 2319 H HN 1.023 nan 8.280 nan 0.000 0.536 2320 T N -1.278 113.239 114.554 -0.062 0.000 2.883 2320 T HA 0.634 4.985 4.350 0.000 0.000 0.296 2320 T C -0.442 174.263 174.700 0.009 0.000 1.117 2320 T CA -0.487 61.538 62.100 -0.125 0.000 1.006 2320 T CB 1.745 70.570 68.868 -0.072 0.000 1.191 2320 T HN 1.023 nan 8.240 nan 0.000 0.508 2321 S N -0.051 115.643 115.700 -0.011 0.000 2.588 2321 S HA 0.899 5.369 4.470 0.000 0.000 0.275 2321 S C -1.098 173.479 174.600 -0.038 0.000 1.130 2321 S CA -0.688 57.508 58.200 -0.007 0.000 0.855 2321 S CB 2.230 65.443 63.200 0.021 0.000 1.116 2321 S HN 1.433 nan 8.310 nan 0.000 0.472 2322 K N 0.224 120.571 120.400 -0.088 0.000 2.652 2322 K HA 0.389 4.709 4.320 0.000 0.000 0.276 2322 K C -1.896 174.585 176.600 -0.199 0.000 0.934 2322 K CA -0.932 55.318 56.287 -0.061 0.000 0.719 2322 K CB 0.083 32.601 32.500 0.029 0.000 1.387 2322 K HN 0.571 nan 8.250 nan 0.000 0.338 2323 Y N 0.501 120.808 120.300 0.011 0.000 2.549 2323 Y HA 0.455 5.005 4.550 0.000 0.000 0.339 2323 Y C 0.181 176.083 175.900 0.003 0.000 1.053 2323 Y CA -1.027 57.077 58.100 0.007 0.000 1.105 2323 Y CB 1.627 40.086 38.460 -0.002 0.000 1.258 2323 Y HN 0.339 nan 8.280 nan 0.000 0.478 2324 L N 1.750 123.070 121.223 0.162 0.000 2.513 2324 L HA -0.092 4.248 4.340 0.000 0.000 0.272 2324 L C 0.440 177.362 176.870 0.086 0.000 1.187 2324 L CA -0.058 54.837 54.840 0.091 0.000 0.895 2324 L CB 0.411 42.507 42.059 0.060 0.000 1.147 2324 L HN 0.968 nan 8.230 nan 0.000 0.483 2325 c N 1.505 120.138 118.600 0.055 0.000 2.446 2325 c HA -0.058 4.512 4.570 0.000 0.000 0.279 2325 c C 1.799 175.897 174.090 0.013 0.000 1.366 2325 c CA -0.019 56.330 56.329 0.034 0.000 1.763 2325 c CB -0.618 41.907 42.510 0.025 0.000 1.929 2325 c HN 0.883 nan 8.230 nan 0.000 0.509 2326 S N 1.265 116.969 115.700 0.007 0.000 2.566 2326 S HA -0.002 4.468 4.470 0.000 0.000 0.280 2326 S C 1.397 175.987 174.600 -0.017 0.000 1.343 2326 S CA -0.052 58.142 58.200 -0.010 0.000 1.036 2326 S CB 0.424 63.613 63.200 -0.019 0.000 0.866 2326 S HN 0.701 nan 8.310 nan 0.000 0.526 2327 K N 2.177 122.563 120.400 -0.024 0.000 2.432 2327 K HA 0.068 4.388 4.320 0.000 0.000 0.196 2327 K C 0.030 176.611 176.600 -0.032 0.000 1.038 2327 K CA 0.431 56.701 56.287 -0.029 0.000 0.986 2327 K CB -0.260 32.223 32.500 -0.028 0.000 0.782 2327 K HN 0.385 nan 8.250 nan 0.000 0.485 2328 V N 3.822 123.715 119.914 -0.035 0.000 2.390 2328 V HA 0.101 4.221 4.120 0.000 0.000 0.260 2328 V C 0.225 176.293 176.094 -0.043 0.000 1.043 2328 V CA -0.112 62.162 62.300 -0.043 0.000 1.047 2328 V CB -0.325 31.466 31.823 -0.052 0.000 1.066 2328 V HN 0.202 nan 8.190 nan 0.000 0.481 2329 L N 4.916 126.115 121.223 -0.040 0.000 2.371 2329 L HA 0.434 4.774 4.340 0.000 0.000 0.272 2329 L C 1.186 178.029 176.870 -0.046 0.000 1.124 2329 L CA 0.020 54.840 54.840 -0.034 0.000 0.816 2329 L CB 1.223 43.264 42.059 -0.029 0.000 1.129 2329 L HN 0.760 nan 8.230 nan 0.000 0.448 2330 T N -4.262 110.267 114.554 -0.043 0.000 3.144 2330 T HA 0.139 4.489 4.350 0.000 0.000 0.290 2330 T C 0.144 174.820 174.700 -0.039 0.000 0.966 2330 T CA -0.525 61.533 62.100 -0.070 0.000 0.907 2330 T CB 0.103 68.902 68.868 -0.115 0.000 1.152 2330 T HN 0.420 nan 8.240 nan 0.000 0.532 2331 D N 1.722 122.119 120.400 -0.004 0.000 2.383 2331 D HA 0.433 5.073 4.640 0.000 0.000 0.248 2331 D C -0.566 175.752 176.300 0.031 0.000 1.170 2331 D CA 0.133 54.148 54.000 0.025 0.000 0.977 2331 D CB 1.809 42.636 40.800 0.045 0.000 1.120 2331 D HN 0.084 nan 8.370 nan 0.000 0.481 2332 T N 0.690 115.279 114.554 0.058 0.000 2.807 2332 T HA 0.478 4.828 4.350 0.000 0.000 0.279 2332 T C -0.946 173.796 174.700 0.070 0.000 0.993 2332 T CA -0.347 61.793 62.100 0.067 0.000 0.970 2332 T CB 0.842 69.769 68.868 0.097 0.000 0.950 2332 T HN 0.367 nan 8.240 nan 0.000 0.441 2333 S N 2.209 117.942 115.700 0.055 0.000 3.722 2333 S HA -0.074 4.396 4.470 0.000 0.000 0.776 2333 S C -0.243 174.374 174.600 0.028 0.000 0.455 2333 S CA -0.336 57.890 58.200 0.044 0.000 1.445 2333 S CB -0.426 62.805 63.200 0.051 0.000 0.854 2333 S HN 0.971 nan 8.310 nan 0.000 1.094 2334 R N 2.640 123.150 120.500 0.017 0.000 2.808 2334 R HA 0.847 5.187 4.340 0.000 0.000 0.272 2334 R C -3.156 173.142 176.300 -0.003 0.000 0.995 2334 R CA -2.125 53.977 56.100 0.003 0.000 0.917 2334 R CB 1.469 31.767 30.300 -0.003 0.000 1.217 2334 R HN 0.260 nan 8.270 nan 0.000 0.471 2335 P HA 0.079 nan 4.420 nan 0.000 0.279 2335 P C -0.828 176.462 177.300 -0.017 0.000 1.282 2335 P CA -0.570 62.521 63.100 -0.015 0.000 0.788 2335 P CB 0.404 32.091 31.700 -0.023 0.000 1.139 2336 N N 0.505 119.195 118.700 -0.017 0.000 2.416 2336 N HA 0.019 4.759 4.740 0.000 0.000 0.246 2336 N C -0.125 175.371 175.510 -0.023 0.000 1.260 2336 N CA 0.349 53.389 53.050 -0.018 0.000 0.897 2336 N CB -0.259 38.219 38.487 -0.016 0.000 1.110 2336 N HN 0.353 nan 8.380 nan 0.000 0.439 2337 D N 1.915 122.300 120.400 -0.025 0.000 2.458 2337 D HA 0.108 4.748 4.640 0.000 0.000 0.243 2337 D C -1.492 174.792 176.300 -0.028 0.000 1.146 2337 D CA -0.395 53.588 54.000 -0.029 0.000 0.877 2337 D CB 0.282 41.064 40.800 -0.030 0.000 1.176 2337 D HN 0.339 nan 8.370 nan 0.000 0.461 2338 P HA 0.130 nan 4.420 nan 0.000 0.289 2338 P C 0.514 177.797 177.300 -0.028 0.000 1.299 2338 P CA -0.400 62.682 63.100 -0.030 0.000 0.766 2338 P CB 0.610 32.288 31.700 -0.036 0.000 1.226 2339 T N -1.363 113.175 114.554 -0.026 0.000 2.951 2339 T HA -0.017 4.333 4.350 0.000 0.000 0.268 2339 T C 0.423 175.108 174.700 -0.024 0.000 1.073 2339 T CA 1.203 63.288 62.100 -0.024 0.000 1.134 2339 T CB -0.502 68.353 68.868 -0.021 0.000 0.884 2339 T HN 0.493 nan 8.240 nan 0.000 0.479 2340 N N -0.270 118.413 118.700 -0.028 0.000 2.264 2340 N HA 0.542 5.282 4.740 0.000 0.000 0.288 2340 N C -0.052 175.439 175.510 -0.032 0.000 1.094 2340 N CA -0.638 52.395 53.050 -0.027 0.000 0.817 2340 N CB 1.900 40.372 38.487 -0.026 0.000 1.604 2340 N HN 0.166 nan 8.380 nan 0.000 0.473 2341 G N 0.212 108.995 108.800 -0.029 0.000 2.516 2341 G HA2 0.224 4.184 3.960 0.000 0.000 0.276 2341 G HA3 0.224 4.184 3.960 0.000 0.000 0.276 2341 G C -0.588 174.290 174.900 -0.036 0.000 1.390 2341 G CA -0.038 45.043 45.100 -0.032 0.000 1.050 2341 G HN 0.530 nan 8.290 nan 0.000 0.519 2342 N N -1.562 117.114 118.700 -0.040 0.000 2.549 2342 N HA 0.101 4.842 4.740 0.000 0.000 0.290 2342 N C 0.576 176.082 175.510 -0.006 0.000 1.122 2342 N CA -0.597 52.424 53.050 -0.047 0.000 0.885 2342 N CB 1.314 39.739 38.487 -0.104 0.000 1.455 2342 N HN 0.249 nan 8.380 nan 0.000 0.521 2343 c N 0.815 119.432 118.600 0.029 0.000 2.432 2343 c HA 0.098 4.668 4.570 0.000 0.000 0.280 2343 c C 1.102 175.279 174.090 0.144 0.000 1.353 2343 c CA 0.410 56.789 56.329 0.082 0.000 1.766 2343 c CB -0.269 42.273 42.510 0.052 0.000 1.924 2343 c HN 0.640 nan 8.230 nan 0.000 0.509 2344 D N -0.323 120.132 120.400 0.092 0.000 2.540 2344 D HA 0.397 5.037 4.640 0.000 0.000 0.229 2344 D C 0.115 176.460 176.300 0.076 0.000 1.250 2344 D CA 0.418 54.495 54.000 0.129 0.000 0.817 2344 D CB 0.789 41.629 40.800 0.067 0.000 1.060 2344 D HN 0.455 nan 8.370 nan 0.000 0.508 2345 A N 1.641 124.389 122.820 -0.121 0.000 2.604 2345 A HA 0.557 4.877 4.320 0.000 0.000 0.295 2345 A C -2.869 174.283 177.584 -0.719 0.000 1.067 2345 A CA -1.117 50.735 52.037 -0.307 0.000 0.683 2345 A CB 1.915 20.810 19.000 -0.174 0.000 1.281 2345 A HN -0.244 nan 8.150 nan 0.000 0.407 2346 P HA 0.394 nan 4.420 nan 0.000 0.272 2346 P C -0.767 176.283 177.300 -0.417 0.000 1.223 2346 P CA 0.214 62.846 63.100 -0.780 0.000 0.784 2346 P CB 0.625 32.042 31.700 -0.471 0.000 0.923 2347 I N 1.867 122.255 120.570 -0.304 0.000 2.339 2347 I HA 0.200 4.370 4.170 0.000 0.000 0.290 2347 I C 1.379 177.410 176.117 -0.143 0.000 0.994 2347 I CA -0.427 60.762 61.300 -0.185 0.000 1.191 2347 I CB 1.599 39.516 38.000 -0.139 0.000 1.343 2347 I HN 0.355 nan 8.210 nan 0.000 0.458 2348 T N 2.333 116.811 114.554 -0.127 0.000 2.810 2348 T HA 0.858 5.208 4.350 0.000 0.000 0.277 2348 T C 0.292 174.952 174.700 -0.066 0.000 0.973 2348 T CA -0.163 61.876 62.100 -0.103 0.000 0.949 2348 T CB 1.796 70.597 68.868 -0.112 0.000 1.075 2348 T HN 1.084 nan 8.240 nan 0.000 0.537 2349 G N -1.706 107.066 108.800 -0.046 0.000 2.440 2349 G HA2 0.509 4.469 3.960 0.000 0.000 0.684 2349 G HA3 0.509 4.469 3.960 0.000 0.000 0.684 2349 G C -0.051 174.841 174.900 -0.013 0.000 1.309 2349 G CA -0.201 44.882 45.100 -0.028 0.000 0.931 2349 G HN 2.616 nan 8.290 nan 0.000 0.612 2350 G N -1.418 107.379 108.800 -0.005 0.000 2.770 2350 G HA2 0.555 4.515 3.960 0.000 0.000 0.686 2350 G HA3 0.555 4.515 3.960 0.000 0.000 0.686 2350 G C -0.475 174.434 174.900 0.015 0.000 1.180 2350 G CA 0.558 45.662 45.100 0.007 0.000 0.767 2350 G HN 2.014 nan 8.290 nan 0.000 0.646 2351 S N 2.443 118.155 115.700 0.021 0.000 2.540 2351 S HA 0.828 5.298 4.470 0.000 0.000 0.275 2351 S C -2.007 172.613 174.600 0.034 0.000 1.123 2351 S CA -0.666 57.549 58.200 0.024 0.000 0.907 2351 S CB 3.037 66.249 63.200 0.019 0.000 1.081 2351 S HN 0.688 nan 8.310 nan 0.000 0.476 2352 P HA 0.326 nan 4.420 nan 0.000 0.274 2352 P C -0.936 176.386 177.300 0.038 0.000 1.352 2352 P CA -0.063 63.056 63.100 0.032 0.000 0.947 2352 P CB 0.150 31.866 31.700 0.027 0.000 1.437 2353 D N 1.894 122.323 120.400 0.049 0.000 2.198 2353 D HA 0.171 4.811 4.640 0.000 0.000 0.245 2353 D C -1.309 175.028 176.300 0.063 0.000 1.079 2353 D CA -1.881 52.155 54.000 0.061 0.000 0.854 2353 D CB 1.519 42.366 40.800 0.079 0.000 1.148 2353 D HN 0.083 nan 8.370 nan 0.000 0.456 2354 P HA 0.059 nan 4.420 nan 0.000 0.225 2354 P C 0.391 177.743 177.300 0.085 0.000 1.156 2354 P CA 0.470 63.612 63.100 0.071 0.000 0.787 2354 P CB 0.862 32.605 31.700 0.072 0.000 0.802 2355 G N -1.812 107.047 108.800 0.098 0.000 2.342 2355 G HA2 0.450 4.410 3.960 0.000 0.000 0.297 2355 G HA3 0.450 4.410 3.960 0.000 0.000 0.297 2355 G C -2.287 172.686 174.900 0.122 0.000 1.313 2355 G CA -0.220 44.941 45.100 0.102 0.000 0.830 2355 G HN 0.043 nan 8.290 nan 0.000 0.506 2356 V N -0.466 119.503 119.914 0.092 0.000 3.098 2356 V HA 0.631 4.751 4.120 0.000 0.000 0.294 2356 V C -0.586 175.449 176.094 -0.097 0.000 1.351 2356 V CA -0.951 61.400 62.300 0.085 0.000 0.999 2356 V CB 2.044 33.984 31.823 0.195 0.000 1.104 2356 V HN 1.051 nan 8.190 nan 0.000 0.438 2357 K N 2.696 122.805 120.400 -0.486 0.000 2.448 2357 K HA 0.567 4.887 4.320 0.000 0.000 0.278 2357 K C 0.078 176.604 176.600 -0.124 0.000 1.009 2357 K CA 0.985 56.980 56.287 -0.487 0.000 0.995 2357 K CB 0.721 32.605 32.500 -1.028 0.000 0.917 2357 K HN 1.033 nan 8.250 nan 0.000 0.481 2358 G N 2.298 111.088 108.800 -0.017 0.000 2.782 2358 G HA2 0.678 4.638 3.960 0.000 0.000 0.304 2358 G HA3 0.678 4.638 3.960 0.000 0.000 0.304 2358 G C -1.620 173.381 174.900 0.168 0.000 1.315 2358 G CA -0.759 44.407 45.100 0.112 0.000 0.791 2358 G HN 0.654 nan 8.290 nan 0.000 0.519 2359 F N -2.371 117.533 119.950 -0.077 0.000 2.807 2359 F HA 0.908 5.435 4.527 0.000 0.000 0.316 2359 F C -0.718 174.998 175.800 -0.139 0.000 1.162 2359 F CA -1.036 56.882 58.000 -0.135 0.000 0.910 2359 F CB 1.196 40.070 39.000 -0.209 0.000 1.314 2359 F HN 1.455 nan 8.300 nan 0.000 0.454 2360 A N 0.798 123.390 122.820 -0.379 0.000 2.601 2360 A HA 0.779 5.099 4.320 0.000 0.000 0.291 2360 A C -2.474 174.995 177.584 -0.191 0.000 1.075 2360 A CA -0.715 51.083 52.037 -0.399 0.000 0.671 2360 A CB 1.036 19.916 19.000 -0.201 0.000 1.277 2360 A HN 0.751 nan 8.150 nan 0.000 0.417 2361 F N 0.441 120.476 119.950 0.142 0.000 2.444 2361 F HA 0.622 5.149 4.527 0.000 0.000 0.342 2361 F C -0.092 175.826 175.800 0.196 0.000 1.121 2361 F CA -0.371 57.672 58.000 0.073 0.000 0.997 2361 F CB 1.892 40.880 39.000 -0.021 0.000 1.130 2361 F HN 0.341 nan 8.300 nan 0.000 0.454 2362 L N 3.526 125.022 121.223 0.455 0.000 2.316 2362 L HA 0.411 4.751 4.340 0.000 0.000 0.280 2362 L C -0.959 176.095 176.870 0.307 0.000 1.006 2362 L CA -0.297 54.730 54.840 0.311 0.000 0.836 2362 L CB 1.421 43.625 42.059 0.242 0.000 1.221 2362 L HN 0.550 nan 8.230 nan 0.000 0.418 2363 D N 2.876 123.410 120.400 0.224 0.000 3.118 2363 D HA 0.398 5.038 4.640 0.000 0.000 0.286 2363 D C 0.647 177.016 176.300 0.114 0.000 1.255 2363 D CA 0.621 54.731 54.000 0.183 0.000 0.748 2363 D CB 0.614 41.538 40.800 0.206 0.000 1.332 2363 D HN 0.660 nan 8.370 nan 0.000 0.575 2364 G N 1.608 110.461 108.800 0.088 0.000 2.591 2364 G HA2 -0.394 3.566 3.960 0.000 0.000 0.298 2364 G HA3 -0.394 3.566 3.960 0.000 0.000 0.298 2364 G C 1.040 175.959 174.900 0.031 0.000 1.195 2364 G CA 0.452 45.583 45.100 0.052 0.000 0.989 2364 G HN 0.394 nan 8.290 nan 0.000 0.551 2365 E N 0.981 121.191 120.200 0.017 0.000 2.204 2365 E HA -0.110 4.240 4.350 0.000 0.000 0.195 2365 E C 1.546 178.135 176.600 -0.018 0.000 0.990 2365 E CA 1.090 57.485 56.400 -0.009 0.000 0.821 2365 E CB -0.144 29.551 29.700 -0.010 0.000 0.750 2365 E HN 0.367 nan 8.360 nan 0.000 0.477 2366 N N 1.142 119.860 118.700 0.030 0.000 3.250 2366 N HA 0.014 4.754 4.740 0.000 0.000 0.307 2366 N C -1.519 174.075 175.510 0.141 0.000 1.355 2366 N CA 0.005 53.100 53.050 0.075 0.000 1.192 2366 N CB 0.190 38.735 38.487 0.097 0.000 1.478 2366 N HN -0.201 nan 8.380 nan 0.000 0.543 2367 S N 0.567 116.297 115.700 0.049 0.000 2.521 2367 S HA 0.511 4.981 4.470 0.000 0.000 0.295 2367 S C -1.346 173.293 174.600 0.065 0.000 1.098 2367 S CA -0.565 57.719 58.200 0.139 0.000 0.999 2367 S CB 0.954 64.200 63.200 0.076 0.000 1.034 2367 S HN 0.340 nan 8.310 nan 0.000 0.483 2368 W N 2.841 124.254 121.300 0.189 0.000 2.839 2368 W HA 0.625 5.285 4.660 0.000 0.000 0.334 2368 W C -1.105 175.414 176.519 -0.001 0.000 1.064 2368 W CA -0.593 56.858 57.345 0.176 0.000 1.236 2368 W CB 1.055 30.771 29.460 0.428 0.000 1.405 2368 W HN 0.314 nan 8.180 nan 0.000 0.478 2369 L N 3.348 124.636 121.223 0.108 0.000 2.322 2369 L HA 0.825 5.166 4.340 0.000 0.000 0.281 2369 L C 0.624 177.317 176.870 -0.294 0.000 1.014 2369 L CA -0.939 53.803 54.840 -0.164 0.000 0.815 2369 L CB 1.266 43.247 42.059 -0.130 0.000 1.247 2369 L HN 0.569 nan 8.230 nan 0.000 0.421 2370 G N 2.291 110.711 108.800 -0.633 0.000 2.410 2370 G HA2 0.823 4.783 3.960 0.000 0.000 0.330 2370 G HA3 0.823 4.783 3.960 0.000 0.000 0.330 2370 G C -0.819 173.794 174.900 -0.479 0.000 1.142 2370 G CA -0.469 44.288 45.100 -0.571 0.000 0.902 2370 G HN 0.819 nan 8.290 nan 0.000 0.491 2371 R N -1.248 118.793 120.500 -0.766 0.000 2.765 2371 R HA 0.510 4.850 4.340 0.000 0.000 0.277 2371 R C -0.526 175.262 176.300 -0.854 0.000 1.028 2371 R CA -0.778 54.973 56.100 -0.583 0.000 0.860 2371 R CB 0.178 30.305 30.300 -0.289 0.000 1.270 2371 R HN 0.684 nan 8.270 nan 0.000 0.484 2372 T N -0.721 113.635 114.554 -0.330 0.000 2.898 2372 T HA 0.277 4.627 4.350 0.000 0.000 0.301 2372 T C 1.512 176.137 174.700 -0.124 0.000 1.049 2372 T CA -0.719 61.298 62.100 -0.138 0.000 1.095 2372 T CB 0.536 69.450 68.868 0.076 0.000 0.976 2372 T HN 0.541 nan 8.240 nan 0.000 0.539 2373 I N 0.899 121.435 120.570 -0.056 0.000 2.286 2373 I HA -0.060 4.110 4.170 0.000 0.000 0.245 2373 I C 1.971 178.079 176.117 -0.016 0.000 1.104 2373 I CA 0.689 61.965 61.300 -0.040 0.000 1.397 2373 I CB -0.378 37.617 38.000 -0.008 0.000 1.072 2373 I HN 0.716 nan 8.210 nan 0.000 0.417 2374 S N 1.538 117.245 115.700 0.013 0.000 2.549 2374 S HA 0.011 4.481 4.470 0.000 0.000 0.279 2374 S C 1.248 175.864 174.600 0.027 0.000 1.321 2374 S CA -0.537 57.679 58.200 0.027 0.000 1.054 2374 S CB 0.825 64.061 63.200 0.059 0.000 0.899 2374 S HN 0.372 nan 8.310 nan 0.000 0.497 2375 K N 3.102 123.514 120.400 0.019 0.000 2.296 2375 K HA 0.008 4.328 4.320 0.000 0.000 0.200 2375 K C 0.488 177.109 176.600 0.035 0.000 1.048 2375 K CA 1.026 57.324 56.287 0.018 0.000 0.966 2375 K CB -0.054 32.449 32.500 0.005 0.000 0.754 2375 K HN 0.545 nan 8.250 nan 0.000 0.466 2376 D N 0.739 121.168 120.400 0.049 0.000 2.201 2376 D HA 0.034 4.674 4.640 0.000 0.000 0.209 2376 D C 0.354 176.706 176.300 0.088 0.000 0.961 2376 D CA 0.599 54.635 54.000 0.061 0.000 0.861 2376 D CB 0.357 41.193 40.800 0.059 0.000 0.997 2376 D HN 0.104 nan 8.370 nan 0.000 0.486 2377 S N -0.668 115.104 115.700 0.119 0.000 2.667 2377 S HA 0.437 4.907 4.470 0.000 0.000 0.292 2377 S C -0.077 174.650 174.600 0.212 0.000 1.126 2377 S CA -0.773 57.531 58.200 0.173 0.000 0.881 2377 S CB 2.427 65.772 63.200 0.241 0.000 1.132 2377 S HN -0.079 nan 8.310 nan 0.000 0.492 2378 R N 1.626 122.284 120.500 0.264 0.000 3.688 2378 R HA 0.320 4.660 4.340 0.000 0.000 0.194 2378 R C -0.390 176.160 176.300 0.416 0.000 1.677 2378 R CA -0.016 56.268 56.100 0.306 0.000 1.351 2378 R CB -0.045 30.417 30.300 0.270 0.000 1.338 2378 R HN 0.375 nan 8.270 nan 0.000 0.731 2379 S N 0.453 116.335 115.700 0.303 0.000 2.548 2379 S HA 0.661 5.132 4.470 0.000 0.000 0.276 2379 S C -0.238 174.435 174.600 0.122 0.000 1.129 2379 S CA 0.116 58.440 58.200 0.207 0.000 0.931 2379 S CB 1.428 64.674 63.200 0.077 0.000 1.068 2379 S HN 0.769 nan 8.310 nan 0.000 0.480 2380 G N 2.419 111.278 108.800 0.100 0.000 2.880 2380 G HA2 -0.098 3.862 3.960 0.000 0.000 0.617 2380 G HA3 -0.098 3.862 3.960 0.000 0.000 0.617 2380 G C -1.253 173.791 174.900 0.239 0.000 1.493 2380 G CA 0.076 45.249 45.100 0.121 0.000 0.916 2380 G HN 1.420 nan 8.290 nan 0.000 0.553 2381 Y N 0.464 120.833 120.300 0.114 0.000 2.480 2381 Y HA 0.544 5.094 4.550 0.000 0.000 0.329 2381 Y C -0.312 175.656 175.900 0.114 0.000 1.127 2381 Y CA -0.154 58.020 58.100 0.124 0.000 1.037 2381 Y CB 1.643 40.211 38.460 0.180 0.000 1.320 2381 Y HN 1.036 nan 8.280 nan 0.000 0.446 2382 E N 4.926 124.982 120.200 -0.241 0.000 2.383 2382 E HA 0.573 4.923 4.350 0.000 0.000 0.275 2382 E C -1.756 174.777 176.600 -0.112 0.000 0.918 2382 E CA -1.294 55.077 56.400 -0.047 0.000 0.764 2382 E CB 2.495 32.169 29.700 -0.043 0.000 1.252 2382 E HN 0.353 nan 8.360 nan 0.000 0.449 2383 M N 2.554 122.191 119.600 0.062 0.000 2.243 2383 M HA 0.454 4.934 4.480 0.000 0.000 0.324 2383 M C -1.153 175.368 176.300 0.369 0.000 1.031 2383 M CA -0.780 54.582 55.300 0.103 0.000 0.949 2383 M CB 1.070 33.644 32.600 -0.044 0.000 1.615 2383 M HN 0.607 nan 8.290 nan 0.000 0.430 2384 L N 2.672 124.076 121.223 0.302 0.000 2.356 2384 L HA 0.507 4.847 4.340 0.000 0.000 0.277 2384 L C 0.089 176.913 176.870 -0.078 0.000 0.996 2384 L CA -0.688 54.228 54.840 0.126 0.000 0.822 2384 L CB 2.124 44.178 42.059 -0.008 0.000 1.256 2384 L HN 0.606 nan 8.230 nan 0.000 0.413 2385 K N 2.967 122.987 120.400 -0.633 0.000 2.273 2385 K HA 0.385 4.705 4.320 0.000 0.000 0.287 2385 K C -1.040 175.275 176.600 -0.475 0.000 1.089 2385 K CA -0.301 55.331 56.287 -1.092 0.000 0.909 2385 K CB 0.684 32.229 32.500 -1.591 0.000 1.123 2385 K HN 0.377 nan 8.250 nan 0.000 0.473 2386 V N 7.874 127.603 119.914 -0.308 0.000 2.250 2386 V HA 0.227 4.347 4.120 0.000 0.000 0.268 2386 V C -2.244 173.772 176.094 -0.130 0.000 1.043 2386 V CA -2.170 60.028 62.300 -0.170 0.000 0.814 2386 V CB 0.785 32.545 31.823 -0.104 0.000 1.072 2386 V HN 0.776 nan 8.190 nan 0.000 0.451 2387 P HA 0.122 nan 4.420 nan 0.000 0.262 2387 P C 0.555 177.829 177.300 -0.043 0.000 1.182 2387 P CA 0.549 63.601 63.100 -0.080 0.000 0.761 2387 P CB 0.204 31.859 31.700 -0.075 0.000 0.795 2388 N N 0.893 119.583 118.700 -0.016 0.000 2.828 2388 N HA -0.234 4.506 4.740 0.000 0.000 0.248 2388 N C 0.995 176.508 175.510 0.005 0.000 1.044 2388 N CA 1.190 54.240 53.050 0.001 0.000 0.851 2388 N CB -1.687 36.798 38.487 -0.004 0.000 1.136 2388 N HN 0.532 nan 8.380 nan 0.000 0.572 2389 A N 0.513 123.334 122.820 0.001 0.000 2.084 2389 A HA -0.189 4.131 4.320 0.000 0.000 0.221 2389 A C 2.058 179.654 177.584 0.020 0.000 1.161 2389 A CA 1.952 53.989 52.037 0.001 0.000 0.653 2389 A CB -0.308 18.690 19.000 -0.004 0.000 0.802 2389 A HN 0.539 nan 8.150 nan 0.000 0.457 2390 E N -0.883 119.337 120.200 0.034 0.000 2.285 2390 E HA -0.107 4.243 4.350 0.000 0.000 0.194 2390 E C 1.595 178.215 176.600 0.034 0.000 0.997 2390 E CA 1.438 57.864 56.400 0.043 0.000 0.845 2390 E CB 0.112 29.848 29.700 0.059 0.000 0.782 2390 E HN 0.770 nan 8.360 nan 0.000 0.491 2391 T N -2.928 111.641 114.554 0.026 0.000 3.004 2391 T HA 0.089 4.439 4.350 0.000 0.000 0.266 2391 T C 0.061 174.769 174.700 0.012 0.000 0.986 2391 T CA -0.499 61.613 62.100 0.020 0.000 0.902 2391 T CB 0.562 69.442 68.868 0.019 0.000 1.118 2391 T HN -0.131 nan 8.240 nan 0.000 0.522 2392 D N 1.726 122.130 120.400 0.007 0.000 2.471 2392 D HA 0.286 4.926 4.640 0.000 0.000 0.245 2392 D C 1.356 177.654 176.300 -0.004 0.000 1.116 2392 D CA -0.917 53.083 54.000 0.000 0.000 0.853 2392 D CB 1.394 42.191 40.800 -0.005 0.000 1.123 2392 D HN 0.381 nan 8.370 nan 0.000 0.540 2393 I N 0.590 121.157 120.570 -0.005 0.000 2.700 2393 I HA -0.158 4.012 4.170 0.000 0.000 0.261 2393 I C 1.035 177.143 176.117 -0.016 0.000 1.219 2393 I CA 0.867 62.161 61.300 -0.010 0.000 1.463 2393 I CB -0.031 37.962 38.000 -0.012 0.000 1.092 2393 I HN 0.262 nan 8.210 nan 0.000 0.452 2394 Q N 1.786 121.576 119.800 -0.015 0.000 2.392 2394 Q HA 0.113 4.453 4.340 0.000 0.000 0.203 2394 Q C 0.772 176.759 176.000 -0.022 0.000 0.917 2394 Q CA 0.299 56.091 55.803 -0.019 0.000 0.939 2394 Q CB 0.276 29.004 28.738 -0.017 0.000 1.063 2394 Q HN 0.691 nan 8.270 nan 0.000 0.516 2395 S N 0.431 116.117 115.700 -0.023 0.000 2.546 2395 S HA 0.343 4.813 4.470 0.000 0.000 0.290 2395 S C 0.344 174.921 174.600 -0.038 0.000 1.262 2395 S CA -0.210 57.972 58.200 -0.030 0.000 1.083 2395 S CB 1.075 64.257 63.200 -0.029 0.000 0.859 2395 S HN 0.252 nan 8.310 nan 0.000 0.495 2396 G N 2.274 111.047 108.800 -0.044 0.000 2.644 2396 G HA2 0.709 4.669 3.960 0.000 0.000 0.307 2396 G HA3 0.709 4.669 3.960 0.000 0.000 0.307 2396 G C -3.259 171.601 174.900 -0.067 0.000 1.250 2396 G CA -2.209 42.862 45.100 -0.049 0.000 0.996 2396 G HN 0.558 nan 8.290 nan 0.000 0.489 2397 P HA 0.287 nan 4.420 nan 0.000 0.275 2397 P C 0.657 177.904 177.300 -0.088 0.000 1.228 2397 P CA -0.338 62.706 63.100 -0.094 0.000 0.786 2397 P CB 1.115 32.775 31.700 -0.068 0.000 0.927 2398 I N -0.945 119.552 120.570 -0.123 0.000 4.323 2398 I HA 0.302 4.472 4.170 0.000 0.000 0.328 2398 I C 0.060 176.129 176.117 -0.081 0.000 1.310 2398 I CA -0.034 61.211 61.300 -0.093 0.000 1.186 2398 I CB 0.469 38.409 38.000 -0.100 0.000 1.130 2398 I HN 0.266 nan 8.210 nan 0.000 0.411 2399 S N 1.509 117.137 115.700 -0.121 0.000 2.579 2399 S HA 0.688 5.158 4.470 0.000 0.000 0.272 2399 S C -1.101 173.513 174.600 0.024 0.000 1.141 2399 S CA -0.571 57.610 58.200 -0.032 0.000 0.843 2399 S CB 2.006 65.204 63.200 -0.003 0.000 1.122 2399 S HN 0.575 nan 8.310 nan 0.000 0.468 2400 N N 0.143 118.943 118.700 0.166 0.000 2.416 2400 N HA 0.572 5.312 4.740 0.000 0.000 0.276 2400 N C -1.630 174.084 175.510 0.341 0.000 1.261 2400 N CA -0.697 52.498 53.050 0.241 0.000 0.790 2400 N CB 1.944 40.513 38.487 0.136 0.000 1.554 2400 N HN 0.821 nan 8.380 nan 0.000 0.481 2401 Q N 1.322 121.346 119.800 0.373 0.000 2.275 2401 Q HA 0.380 4.720 4.340 0.000 0.000 0.258 2401 Q C -1.788 174.382 176.000 0.283 0.000 0.960 2401 Q CA -0.815 55.197 55.803 0.348 0.000 0.801 2401 Q CB 1.951 30.965 28.738 0.460 0.000 1.302 2401 Q HN 0.579 nan 8.270 nan 0.000 0.433 2402 V N 6.159 126.219 119.914 0.243 0.000 2.470 2402 V HA 0.041 4.161 4.120 0.000 0.000 0.276 2402 V C 0.931 177.206 176.094 0.302 0.000 1.040 2402 V CA 0.239 62.674 62.300 0.225 0.000 1.008 2402 V CB 0.763 32.690 31.823 0.174 0.000 0.990 2402 V HN 0.811 nan 8.190 nan 0.000 0.477 2403 I N 5.122 125.903 120.570 0.353 0.000 2.927 2403 I HA 0.166 4.336 4.170 0.000 0.000 0.268 2403 I C 0.514 176.877 176.117 0.411 0.000 1.153 2403 I CA 1.169 62.740 61.300 0.452 0.000 1.459 2403 I CB 0.297 38.621 38.000 0.541 0.000 1.149 2403 I HN 0.328 nan 8.210 nan 0.000 0.443 2404 V N 3.064 123.185 119.914 0.346 0.000 2.623 2404 V HA 0.253 4.373 4.120 0.000 0.000 0.304 2404 V C -0.469 175.739 176.094 0.190 0.000 1.054 2404 V CA -1.156 61.309 62.300 0.276 0.000 0.882 2404 V CB 1.771 33.770 31.823 0.294 0.000 1.002 2404 V HN 0.393 nan 8.190 nan 0.000 0.424 2405 N N 2.547 121.326 118.700 0.132 0.000 2.354 2405 N HA 0.032 4.772 4.740 0.000 0.000 0.246 2405 N C 0.573 176.076 175.510 -0.011 0.000 1.285 2405 N CA -0.183 52.900 53.050 0.054 0.000 0.925 2405 N CB 0.263 38.759 38.487 0.016 0.000 1.174 2405 N HN 0.671 nan 8.380 nan 0.000 0.478 2406 N N -0.791 117.885 118.700 -0.041 0.000 2.434 2406 N HA -0.051 4.689 4.740 0.000 0.000 0.196 2406 N C 0.028 175.428 175.510 -0.183 0.000 1.183 2406 N CA 0.029 53.028 53.050 -0.085 0.000 0.849 2406 N CB 0.075 38.530 38.487 -0.053 0.000 0.992 2406 N HN 0.570 nan 8.380 nan 0.000 0.460 2407 Q N -0.380 119.294 119.800 -0.210 0.000 2.247 2407 Q HA 0.153 4.494 4.340 0.000 0.000 0.204 2407 Q C -0.712 175.015 176.000 -0.455 0.000 0.872 2407 Q CA 0.188 55.807 55.803 -0.307 0.000 0.951 2407 Q CB 0.511 29.106 28.738 -0.238 0.000 1.099 2407 Q HN 0.271 nan 8.270 nan 0.000 0.501 2408 N N -0.773 117.674 118.700 -0.422 0.000 2.284 2408 N HA 0.330 5.070 4.740 0.000 0.000 0.289 2408 N C -1.689 173.626 175.510 -0.325 0.000 1.179 2408 N CA -0.650 52.154 53.050 -0.411 0.000 0.774 2408 N CB 1.196 39.600 38.487 -0.138 0.000 1.548 2408 N HN 0.054 nan 8.380 nan 0.000 0.473 2409 W N 1.009 122.361 121.300 0.087 0.000 2.261 2409 W HA 0.378 5.038 4.660 0.000 0.000 0.323 2409 W C 0.944 177.548 176.519 0.142 0.000 1.243 2409 W CA -0.309 57.096 57.345 0.099 0.000 1.210 2409 W CB 0.838 30.343 29.460 0.076 0.000 1.149 2409 W HN 0.554 nan 8.180 nan 0.000 0.562 2410 S N 1.573 117.527 115.700 0.424 0.000 4.225 2410 S HA 0.978 5.448 4.470 0.000 0.000 0.215 2410 S C 0.248 175.040 174.600 0.321 0.000 1.051 2410 S CA -0.111 58.297 58.200 0.345 0.000 1.729 2410 S CB 1.157 64.592 63.200 0.391 0.000 0.892 2410 S HN 0.958 nan 8.310 nan 0.000 0.720 2411 G N -0.788 108.207 108.800 0.326 0.000 2.398 2411 G HA2 0.318 4.278 3.960 0.000 0.000 0.251 2411 G HA3 0.318 4.278 3.960 0.000 0.000 0.251 2411 G C -1.716 173.445 174.900 0.434 0.000 1.277 2411 G CA -0.831 44.456 45.100 0.311 0.000 0.927 2411 G HN 0.524 nan 8.290 nan 0.000 0.477 2412 Y N 1.405 121.831 120.300 0.209 0.000 2.652 2412 Y HA 0.478 5.028 4.550 0.000 0.000 0.344 2412 Y C 1.344 177.330 175.900 0.144 0.000 1.254 2412 Y CA -0.176 58.051 58.100 0.213 0.000 1.480 2412 Y CB 0.829 39.446 38.460 0.263 0.000 1.345 2412 Y HN 0.868 nan 8.280 nan 0.000 0.617 2413 S N -0.166 115.631 115.700 0.161 0.000 2.556 2413 S HA 0.945 5.415 4.470 0.000 0.000 0.271 2413 S C -0.476 173.917 174.600 -0.345 0.000 1.135 2413 S CA -0.391 57.657 58.200 -0.254 0.000 0.858 2413 S CB 2.250 65.395 63.200 -0.091 0.000 1.114 2413 S HN 1.028 nan 8.310 nan 0.000 0.468 2414 G N -0.352 107.846 108.800 -1.003 0.000 2.660 2414 G HA2 0.782 4.742 3.960 0.000 0.000 0.290 2414 G HA3 0.782 4.742 3.960 0.000 0.000 0.290 2414 G C -1.256 173.308 174.900 -0.560 0.000 1.432 2414 G CA -0.347 44.466 45.100 -0.479 0.000 0.807 2414 G HN 1.240 nan 8.290 nan 0.000 0.485 2415 A N -0.532 122.174 122.820 -0.189 0.000 2.306 2415 A HA 0.994 5.315 4.320 0.000 0.000 0.330 2415 A C -0.734 177.047 177.584 0.327 0.000 1.146 2415 A CA -0.572 51.408 52.037 -0.095 0.000 0.827 2415 A CB 0.703 19.589 19.000 -0.190 0.000 1.178 2415 A HN 1.923 nan 8.150 nan 0.000 0.490 2416 F N -0.901 119.154 119.950 0.175 0.000 2.713 2416 F HA 0.846 5.374 4.527 0.000 0.000 0.311 2416 F C -1.389 174.466 175.800 0.090 0.000 1.141 2416 F CA -1.332 56.767 58.000 0.164 0.000 0.939 2416 F CB 1.018 40.106 39.000 0.147 0.000 1.325 2416 F HN 0.447 nan 8.300 nan 0.000 0.453 2417 I N 1.054 121.588 120.570 -0.061 0.000 2.802 2417 I HA 0.240 4.411 4.170 0.000 0.000 0.298 2417 I C -1.515 174.370 176.117 -0.387 0.000 1.176 2417 I CA -0.732 60.283 61.300 -0.474 0.000 1.025 2417 I CB 2.254 39.696 38.000 -0.929 0.000 1.243 2417 I HN 0.708 nan 8.210 nan 0.000 0.424 2418 D N 4.065 124.344 120.400 -0.201 0.000 2.517 2418 D HA 0.128 4.768 4.640 0.000 0.000 0.220 2418 D C 0.571 176.827 176.300 -0.075 0.000 1.158 2418 D CA -0.034 54.007 54.000 0.067 0.000 0.992 2418 D CB 0.163 41.060 40.800 0.162 0.000 1.058 2418 D HN 0.277 nan 8.370 nan 0.000 0.516 2419 Y N 0.929 121.125 120.300 -0.173 0.000 2.556 2419 Y HA -0.114 4.436 4.550 0.000 0.000 0.290 2419 Y C 1.434 177.052 175.900 -0.470 0.000 1.149 2419 Y CA 0.743 58.451 58.100 -0.654 0.000 1.329 2419 Y CB -0.079 37.569 38.460 -1.354 0.000 0.975 2419 Y HN 0.566 nan 8.280 nan 0.000 0.561 2420 W N -0.494 120.936 121.300 0.216 0.000 3.239 2420 W HA 0.526 5.186 4.660 0.000 0.000 0.348 2420 W C 0.832 177.432 176.519 0.136 0.000 1.183 2420 W CA -0.287 57.163 57.345 0.176 0.000 1.819 2420 W CB -0.385 29.141 29.460 0.110 0.000 1.091 2420 W HN -0.137 nan 8.180 nan 0.000 0.629 2421 A N 1.308 124.290 122.820 0.270 0.000 2.492 2421 A HA -0.080 4.240 4.320 0.000 0.000 0.236 2421 A C 0.696 178.370 177.584 0.151 0.000 1.078 2421 A CA 0.131 52.278 52.037 0.182 0.000 0.773 2421 A CB -0.051 19.026 19.000 0.128 0.000 1.023 2421 A HN 0.354 nan 8.150 nan 0.000 0.504 2422 N N 0.615 119.380 118.700 0.109 0.000 3.243 2422 N HA 0.142 4.882 4.740 0.000 0.000 0.310 2422 N C -0.399 175.141 175.510 0.050 0.000 1.313 2422 N CA 0.113 53.212 53.050 0.080 0.000 1.204 2422 N CB -0.293 38.233 38.487 0.065 0.000 1.483 2422 N HN 0.520 nan 8.380 nan 0.000 0.553 2423 K N -0.021 120.408 120.400 0.047 0.000 2.480 2423 K HA 0.190 4.510 4.320 0.000 0.000 0.258 2423 K C -0.158 176.429 176.600 -0.022 0.000 0.990 2423 K CA -0.646 55.648 56.287 0.012 0.000 0.857 2423 K CB 1.309 33.819 32.500 0.015 0.000 1.384 2423 K HN 0.054 nan 8.250 nan 0.000 0.446 2424 E N -0.498 119.669 120.200 -0.054 0.000 2.474 2424 E HA 0.069 4.419 4.350 0.000 0.000 0.194 2424 E C 0.055 176.549 176.600 -0.177 0.000 1.041 2424 E CA -0.106 56.237 56.400 -0.096 0.000 0.874 2424 E CB -0.168 29.492 29.700 -0.067 0.000 0.914 2424 E HN 0.512 nan 8.360 nan 0.000 0.498 2425 c N -1.000 117.502 118.600 -0.164 0.000 2.971 2425 c HA 0.737 5.307 4.570 0.000 0.000 0.310 2425 c C -0.592 173.409 174.090 -0.147 0.000 1.285 2425 c CA -1.474 54.726 56.329 -0.216 0.000 1.593 2425 c CB 0.353 42.797 42.510 -0.110 0.000 2.076 2425 c HN 0.021 nan 8.230 nan 0.000 0.472 2426 F N 2.306 122.252 119.950 -0.006 0.000 2.404 2426 F HA 0.391 4.918 4.527 0.000 0.000 0.358 2426 F C 0.852 176.574 175.800 -0.130 0.000 1.120 2426 F CA -0.537 57.436 58.000 -0.045 0.000 1.144 2426 F CB 0.241 39.274 39.000 0.055 0.000 1.133 2426 F HN 0.716 nan 8.300 nan 0.000 0.495 2427 N N 5.101 123.808 118.700 0.012 0.000 2.419 2427 N HA 0.269 5.009 4.740 0.000 0.000 0.264 2427 N C -2.697 172.632 175.510 -0.303 0.000 1.031 2427 N CA -1.580 51.379 53.050 -0.151 0.000 0.951 2427 N CB 1.134 39.549 38.487 -0.120 0.000 1.101 2427 N HN 0.155 nan 8.380 nan 0.000 0.488 2428 P HA 0.094 nan 4.420 nan 0.000 0.268 2428 P C -0.681 176.376 177.300 -0.405 0.000 1.204 2428 P CA -0.263 62.311 63.100 -0.877 0.000 0.768 2428 P CB 0.641 31.347 31.700 -1.657 0.000 0.842 2429 c N 3.117 121.495 118.600 -0.371 0.000 2.971 2429 c HA 0.870 5.440 4.570 0.000 0.000 0.310 2429 c C -0.568 173.307 174.090 -0.357 0.000 1.285 2429 c CA -0.296 55.731 56.329 -0.503 0.000 1.593 2429 c CB 0.968 42.701 42.510 -1.294 0.000 2.076 2429 c HN 0.694 nan 8.230 nan 0.000 0.472 2430 F N 0.034 119.693 119.950 -0.486 0.000 2.678 2430 F HA 0.741 5.268 4.527 0.000 0.000 0.308 2430 F C -1.220 174.531 175.800 -0.082 0.000 1.118 2430 F CA -1.144 56.588 58.000 -0.446 0.000 0.959 2430 F CB 0.696 39.086 39.000 -1.016 0.000 1.305 2430 F HN 0.736 nan 8.300 nan 0.000 0.443 2431 Y N 0.333 120.629 120.300 -0.005 0.000 2.630 2431 Y HA 0.921 5.471 4.550 0.000 0.000 0.337 2431 Y C -1.820 174.062 175.900 -0.029 0.000 1.051 2431 Y CA -1.911 56.135 58.100 -0.091 0.000 1.121 2431 Y CB 1.613 40.073 38.460 0.000 0.000 1.299 2431 Y HN 0.587 nan 8.280 nan 0.000 0.498 2432 V N 1.404 121.369 119.914 0.086 0.000 2.638 2432 V HA 0.273 4.393 4.120 0.000 0.000 0.306 2432 V C -0.784 175.456 176.094 0.244 0.000 1.052 2432 V CA -1.004 61.305 62.300 0.014 0.000 0.885 2432 V CB 1.583 33.325 31.823 -0.135 0.000 0.999 2432 V HN 0.882 nan 8.190 nan 0.000 0.424 2433 E N 4.618 125.001 120.200 0.305 0.000 2.229 2433 E HA 0.464 4.814 4.350 0.000 0.000 0.283 2433 E C -1.282 175.446 176.600 0.214 0.000 1.030 2433 E CA -0.567 56.000 56.400 0.278 0.000 0.836 2433 E CB 1.048 30.930 29.700 0.304 0.000 1.068 2433 E HN 0.635 nan 8.360 nan 0.000 0.401 2434 L N 6.860 128.197 121.223 0.189 0.000 2.297 2434 L HA 0.388 4.728 4.340 0.000 0.000 0.277 2434 L C -0.101 176.885 176.870 0.193 0.000 1.040 2434 L CA -0.509 54.456 54.840 0.209 0.000 0.867 2434 L CB 0.430 42.611 42.059 0.203 0.000 1.244 2434 L HN 0.508 nan 8.230 nan 0.000 0.433 2435 I N 3.742 124.426 120.570 0.190 0.000 2.496 2435 I HA 0.251 4.421 4.170 0.000 0.000 0.285 2435 I C 0.288 176.473 176.117 0.112 0.000 1.080 2435 I CA -0.156 61.215 61.300 0.118 0.000 1.404 2435 I CB 0.405 38.433 38.000 0.046 0.000 1.403 2435 I HN 0.511 nan 8.210 nan 0.000 0.539 2436 R N 3.907 124.475 120.500 0.115 0.000 2.854 2436 R HA 0.785 5.125 4.340 0.000 0.000 0.271 2436 R C 0.196 176.486 176.300 -0.017 0.000 0.996 2436 R CA -0.426 55.728 56.100 0.091 0.000 0.961 2436 R CB 1.482 31.925 30.300 0.238 0.000 1.182 2436 R HN 0.888 nan 8.270 nan 0.000 0.479 2437 G N 1.526 110.105 108.800 -0.369 0.000 2.484 2437 G HA2 -0.242 3.718 3.960 0.000 0.000 0.225 2437 G HA3 -0.242 3.718 3.960 0.000 0.000 0.225 2437 G C -0.786 173.845 174.900 -0.448 0.000 1.250 2437 G CA -0.618 44.080 45.100 -0.670 0.000 0.926 2437 G HN 0.502 nan 8.290 nan 0.000 0.581 2438 R N 1.383 121.662 120.500 -0.370 0.000 2.641 2438 R HA 0.321 4.661 4.340 0.000 0.000 0.269 2438 R C -1.267 174.896 176.300 -0.228 0.000 1.074 2438 R CA -0.648 55.287 56.100 -0.275 0.000 1.133 2438 R CB 0.789 30.966 30.300 -0.205 0.000 1.029 2438 R HN 0.448 nan 8.270 nan 0.000 0.488 2439 P HA 0.004 nan 4.420 nan 0.000 0.245 2439 P C 0.231 177.360 177.300 -0.286 0.000 1.203 2439 P CA 0.615 63.587 63.100 -0.214 0.000 0.792 2439 P CB 0.388 31.996 31.700 -0.154 0.000 0.997 2440 K N 0.650 120.781 120.400 -0.447 0.000 2.211 2440 K HA -0.033 4.288 4.320 0.000 0.000 0.203 2440 K C 0.591 176.936 176.600 -0.426 0.000 1.050 2440 K CA 0.916 56.837 56.287 -0.610 0.000 0.945 2440 K CB 0.043 31.695 32.500 -1.414 0.000 0.732 2440 K HN 0.414 nan 8.250 nan 0.000 0.451 2441 E N 0.644 120.611 120.200 -0.388 0.000 2.873 2441 E HA 0.077 4.427 4.350 0.000 0.000 0.232 2441 E C -0.244 176.180 176.600 -0.293 0.000 1.123 2441 E CA -0.145 56.088 56.400 -0.278 0.000 0.809 2441 E CB 1.033 30.555 29.700 -0.297 0.000 1.366 2441 E HN 0.045 nan 8.360 nan 0.000 0.400 2442 S N -0.408 115.166 115.700 -0.211 0.000 2.671 2442 S HA -0.073 4.397 4.470 0.000 0.000 0.220 2442 S C 1.624 176.121 174.600 -0.172 0.000 0.951 2442 S CA 0.076 58.158 58.200 -0.197 0.000 0.932 2442 S CB -0.090 63.026 63.200 -0.140 0.000 0.777 2442 S HN 0.302 nan 8.310 nan 0.000 0.508 2443 S N 0.883 116.483 115.700 -0.168 0.000 2.561 2443 S HA 0.187 4.657 4.470 0.000 0.000 0.225 2443 S C 0.719 175.225 174.600 -0.157 0.000 0.977 2443 S CA 0.101 58.230 58.200 -0.119 0.000 0.926 2443 S CB -0.767 62.394 63.200 -0.065 0.000 0.769 2443 S HN 0.690 nan 8.310 nan 0.000 0.533 2444 V N -2.407 117.319 119.914 -0.313 0.000 3.166 2444 V HA 0.604 4.725 4.120 0.000 0.000 0.317 2444 V C 0.694 176.540 176.094 -0.414 0.000 1.136 2444 V CA -1.089 60.953 62.300 -0.430 0.000 1.035 2444 V CB 1.132 32.370 31.823 -0.974 0.000 1.110 2444 V HN 0.074 nan 8.190 nan 0.000 0.450 2445 L N 1.000 122.035 121.223 -0.314 0.000 2.640 2445 L HA 0.364 4.705 4.340 0.000 0.000 0.230 2445 L C 0.439 177.269 176.870 -0.066 0.000 1.123 2445 L CA 0.223 54.987 54.840 -0.127 0.000 0.900 2445 L CB -0.516 41.554 42.059 0.018 0.000 1.146 2445 L HN 0.875 nan 8.230 nan 0.000 0.484 2446 W N -1.298 119.966 121.300 -0.061 0.000 2.804 2446 W HA 0.679 5.339 4.660 0.000 0.000 0.352 2446 W C -0.952 175.511 176.519 -0.094 0.000 1.153 2446 W CA -0.795 56.511 57.345 -0.065 0.000 1.119 2446 W CB 0.725 30.143 29.460 -0.070 0.000 1.448 2446 W HN -0.297 nan 8.180 nan 0.000 0.600 2447 T N 1.324 116.106 114.554 0.380 0.000 2.971 2447 T HA 0.437 4.787 4.350 0.000 0.000 0.304 2447 T C -0.952 173.925 174.700 0.294 0.000 1.038 2447 T CA -0.197 62.055 62.100 0.253 0.000 1.007 2447 T CB 2.119 71.031 68.868 0.073 0.000 1.055 2447 T HN 0.560 nan 8.240 nan 0.000 0.451 2448 S N 2.264 118.139 115.700 0.292 0.000 2.873 2448 S HA 0.829 5.299 4.470 0.000 0.000 0.303 2448 S C -1.792 172.866 174.600 0.095 0.000 1.222 2448 S CA -0.685 57.578 58.200 0.105 0.000 0.923 2448 S CB 1.294 64.449 63.200 -0.076 0.000 1.286 2448 S HN 1.039 nan 8.310 nan 0.000 0.571 2449 N N -0.730 117.994 118.700 0.041 0.000 2.961 2449 N HA 0.568 5.308 4.740 0.000 0.000 0.245 2449 N C -1.124 174.419 175.510 0.055 0.000 1.404 2449 N CA -0.232 52.861 53.050 0.071 0.000 0.880 2449 N CB 1.358 39.889 38.487 0.074 0.000 1.461 2449 N HN 0.681 nan 8.380 nan 0.000 0.510 2450 S N -0.158 115.597 115.700 0.091 0.000 2.798 2450 S HA 0.797 5.267 4.470 0.000 0.000 0.312 2450 S C -0.635 174.032 174.600 0.111 0.000 1.122 2450 S CA -0.821 57.432 58.200 0.089 0.000 0.949 2450 S CB 0.735 63.990 63.200 0.092 0.000 1.235 2450 S HN 0.588 nan 8.310 nan 0.000 0.552 2451 I N 0.283 120.916 120.570 0.104 0.000 2.730 2451 I HA 0.684 4.854 4.170 0.000 0.000 0.298 2451 I C -1.181 174.970 176.117 0.057 0.000 1.089 2451 I CA -1.117 60.238 61.300 0.093 0.000 1.041 2451 I CB 2.176 40.213 38.000 0.061 0.000 1.235 2451 I HN 0.515 nan 8.210 nan 0.000 0.423 2452 V N 4.012 123.950 119.914 0.039 0.000 2.876 2452 V HA 0.933 5.053 4.120 0.000 0.000 0.312 2452 V C -1.085 174.935 176.094 -0.123 0.000 1.085 2452 V CA -0.211 62.048 62.300 -0.067 0.000 0.945 2452 V CB 1.958 33.742 31.823 -0.065 0.000 1.017 2452 V HN 0.884 nan 8.190 nan 0.000 0.428 2453 A N 5.729 128.411 122.820 -0.229 0.000 2.475 2453 A HA 0.972 5.292 4.320 0.000 0.000 0.301 2453 A C -1.865 175.448 177.584 -0.453 0.000 1.059 2453 A CA -0.530 51.353 52.037 -0.256 0.000 0.710 2453 A CB 1.757 20.757 19.000 -0.000 0.000 1.288 2453 A HN 0.808 nan 8.150 nan 0.000 0.408 2454 L N 0.077 120.868 121.223 -0.719 0.000 2.376 2454 L HA 0.761 5.101 4.340 0.000 0.000 0.258 2454 L C -0.563 176.028 176.870 -0.465 0.000 1.013 2454 L CA -0.208 54.253 54.840 -0.632 0.000 0.822 2454 L CB 2.190 43.884 42.059 -0.607 0.000 1.388 2454 L HN 0.802 nan 8.230 nan 0.000 0.413 2455 c N -0.202 118.142 118.600 -0.427 0.000 2.889 2455 c HA 0.827 5.397 4.570 0.000 0.000 0.307 2455 c C 0.632 174.621 174.090 -0.168 0.000 1.251 2455 c CA -0.947 55.230 56.329 -0.254 0.000 1.593 2455 c CB 1.709 44.018 42.510 -0.335 0.000 2.104 2455 c HN 0.938 nan 8.230 nan 0.000 0.476 2456 G N 0.976 109.592 108.800 -0.308 0.000 2.569 2456 G HA2 0.483 4.443 3.960 0.000 0.000 0.249 2456 G HA3 0.483 4.443 3.960 0.000 0.000 0.249 2456 G C -0.420 174.303 174.900 -0.295 0.000 1.216 2456 G CA 0.187 44.855 45.100 -0.720 0.000 0.845 2456 G HN 0.865 nan 8.290 nan 0.000 0.568 2457 S N -0.730 114.766 115.700 -0.341 0.000 2.548 2457 S HA 0.394 4.864 4.470 0.000 0.000 0.286 2457 S C 0.846 175.343 174.600 -0.171 0.000 1.098 2457 S CA -0.818 57.290 58.200 -0.152 0.000 0.930 2457 S CB 1.760 64.933 63.200 -0.043 0.000 1.070 2457 S HN 0.536 nan 8.310 nan 0.000 0.480 2458 K N 1.310 121.647 120.400 -0.104 0.000 2.366 2458 K HA 0.121 4.442 4.320 0.000 0.000 0.198 2458 K C 0.391 176.968 176.600 -0.038 0.000 1.044 2458 K CA 0.495 56.741 56.287 -0.068 0.000 0.973 2458 K CB 0.092 32.561 32.500 -0.051 0.000 0.767 2458 K HN 0.415 nan 8.250 nan 0.000 0.475 2459 K N 1.239 121.617 120.400 -0.037 0.000 2.120 2459 K HA 0.148 4.468 4.320 0.000 0.000 0.245 2459 K C 0.232 176.835 176.600 0.005 0.000 1.024 2459 K CA -0.284 55.995 56.287 -0.014 0.000 0.906 2459 K CB 0.495 32.985 32.500 -0.017 0.000 1.051 2459 K HN -0.139 nan 8.250 nan 0.000 0.491 2460 R N 2.054 122.568 120.500 0.023 0.000 2.565 2460 R HA 0.302 4.643 4.340 0.000 0.000 0.286 2460 R C 0.012 176.344 176.300 0.053 0.000 1.256 2460 R CA -0.231 55.898 56.100 0.048 0.000 1.238 2460 R CB -0.742 29.587 30.300 0.049 0.000 1.153 2460 R HN 0.428 nan 8.270 nan 0.000 0.553 2461 L N 0.469 121.733 121.223 0.069 0.000 2.379 2461 L HA 0.497 4.837 4.340 0.000 0.000 0.269 2461 L C 1.379 178.308 176.870 0.099 0.000 1.084 2461 L CA -0.821 54.065 54.840 0.076 0.000 0.802 2461 L CB 1.097 43.214 42.059 0.097 0.000 1.175 2461 L HN 0.454 nan 8.230 nan 0.000 0.448 2462 G N 0.520 109.363 108.800 0.073 0.000 2.599 2462 G HA2 0.490 4.450 3.960 0.000 0.000 0.264 2462 G HA3 0.490 4.450 3.960 0.000 0.000 0.264 2462 G C -0.447 174.522 174.900 0.114 0.000 1.200 2462 G CA -0.122 45.020 45.100 0.069 0.000 0.896 2462 G HN 0.690 nan 8.290 nan 0.000 0.536 2463 S N -0.684 115.095 115.700 0.131 0.000 2.607 2463 S HA 0.815 5.285 4.470 0.000 0.000 0.273 2463 S C -1.286 173.456 174.600 0.237 0.000 1.148 2463 S CA -0.805 57.531 58.200 0.227 0.000 0.833 2463 S CB 2.120 65.507 63.200 0.312 0.000 1.130 2463 S HN 1.518 nan 8.310 nan 0.000 0.470 2464 W N -0.127 121.154 121.300 -0.033 0.000 2.988 2464 W HA 0.769 5.429 4.660 0.000 0.000 0.355 2464 W C -0.997 175.341 176.519 -0.300 0.000 1.233 2464 W CA -1.213 56.020 57.345 -0.186 0.000 1.176 2464 W CB 0.624 29.915 29.460 -0.281 0.000 1.477 2464 W HN 0.887 nan 8.180 nan 0.000 0.582 2465 S N 0.452 116.043 115.700 -0.181 0.000 2.523 2465 S HA 0.354 4.825 4.470 0.000 0.000 0.275 2465 S C -1.067 173.142 174.600 -0.651 0.000 1.281 2465 S CA -0.204 57.895 58.200 -0.169 0.000 1.050 2465 S CB 0.004 63.258 63.200 0.090 0.000 0.937 2465 S HN 0.381 nan 8.310 nan 0.000 0.492 2466 W N 5.483 126.684 121.300 -0.166 0.000 1.919 2466 W HA 0.284 4.944 4.660 0.000 0.000 0.347 2466 W C 0.590 176.974 176.519 -0.224 0.000 0.698 2466 W CA -0.917 56.260 57.345 -0.280 0.000 2.240 2466 W CB -0.481 28.930 29.460 -0.081 0.000 2.021 2466 W HN 0.800 nan 8.180 nan 0.000 0.527 2467 H N -2.323 116.767 119.070 0.034 0.000 2.730 2467 H HA 0.046 4.602 4.556 0.000 0.000 0.376 2467 H C 1.373 176.756 175.328 0.091 0.000 1.299 2467 H CA 0.222 56.307 56.048 0.061 0.000 1.447 2467 H CB 0.774 30.529 29.762 -0.012 0.000 1.493 2467 H HN 0.146 nan 8.280 nan 0.000 0.619 2468 D N 0.247 120.778 120.400 0.218 0.000 2.127 2468 D HA -0.188 4.452 4.640 0.000 0.000 0.190 2468 D C 1.799 178.196 176.300 0.161 0.000 1.000 2468 D CA 3.407 57.516 54.000 0.183 0.000 0.839 2468 D CB -0.527 40.400 40.800 0.211 0.000 0.955 2468 D HN 0.985 nan 8.370 nan 0.000 0.446 2469 G N -1.317 107.612 108.800 0.216 0.000 2.201 2469 G HA2 -0.070 3.890 3.960 0.000 0.000 0.212 2469 G HA3 -0.070 3.890 3.960 0.000 0.000 0.212 2469 G C 0.342 175.348 174.900 0.178 0.000 0.994 2469 G CA 0.448 45.660 45.100 0.187 0.000 0.644 2469 G HN 0.780 nan 8.290 nan 0.000 0.508 2470 A N 0.099 123.047 122.820 0.213 0.000 2.304 2470 A HA 0.682 5.002 4.320 0.000 0.000 0.271 2470 A C 0.145 177.850 177.584 0.202 0.000 1.091 2470 A CA -0.162 52.036 52.037 0.268 0.000 0.812 2470 A CB 0.507 19.750 19.000 0.405 0.000 1.056 2470 A HN 0.175 nan 8.150 nan 0.000 0.489 2471 E N 1.488 121.774 120.200 0.143 0.000 2.081 2471 E HA 0.190 4.540 4.350 0.000 0.000 0.276 2471 E C 0.367 177.030 176.600 0.105 0.000 0.950 2471 E CA -0.442 55.903 56.400 -0.092 0.000 0.776 2471 E CB 1.392 30.655 29.700 -0.729 0.000 1.094 2471 E HN 0.578 nan 8.360 nan 0.000 0.402 2472 I N 3.584 124.249 120.570 0.158 0.000 2.567 2472 I HA -0.253 3.917 4.170 0.000 0.000 0.257 2472 I C 1.541 177.806 176.117 0.246 0.000 1.184 2472 I CA 0.816 62.276 61.300 0.267 0.000 1.451 2472 I CB 0.093 38.155 38.000 0.102 0.000 1.089 2472 I HN 0.483 nan 8.210 nan 0.000 0.441 2473 I N -0.309 120.307 120.570 0.077 0.000 2.286 2473 I HA -0.331 3.839 4.170 0.000 0.000 0.248 2473 I C 2.315 178.548 176.117 0.193 0.000 1.115 2473 I CA 1.646 62.992 61.300 0.077 0.000 1.392 2473 I CB -1.881 36.106 38.000 -0.022 0.000 1.065 2473 I HN 0.340 nan 8.210 nan 0.000 0.418 2474 Y N -0.603 119.751 120.300 0.090 0.000 2.315 2474 Y HA -0.230 4.320 4.550 0.000 0.000 0.288 2474 Y C 2.252 178.065 175.900 -0.145 0.000 1.154 2474 Y CA 0.547 58.607 58.100 -0.067 0.000 1.229 2474 Y CB -0.327 38.020 38.460 -0.188 0.000 0.980 2474 Y HN 0.041 nan 8.280 nan 0.000 0.540 2475 F N -0.265 119.849 119.950 0.275 0.000 2.746 2475 F HA 0.069 4.596 4.527 0.000 0.000 0.297 2475 F C 1.068 176.978 175.800 0.182 0.000 1.113 2475 F CA -0.184 57.973 58.000 0.263 0.000 1.367 2475 F CB 0.033 39.281 39.000 0.413 0.000 1.111 2475 F HN -0.058 nan 8.300 nan 0.000 0.590 2476 E N 0.000 120.375 120.200 0.291 0.000 2.725 2476 E HA 0.000 4.350 4.350 0.000 0.000 0.291 2476 E CA 0.000 56.501 56.400 0.169 0.000 0.976 2476 E CB 0.000 29.768 29.700 0.113 0.000 0.812 2476 E HN 0.000 nan 8.360 nan 0.000 0.440