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 1t77_1_A DATA FIRST_RESID 2076 DATA SEQUENCE GPVSLSTPAQ LVAPSVVVKG TLSVTSSELY FEVDEEDPNF KKIDPKILAY DATA SEQUENCE TEGLHGKWLF TEIRSIFSRR YLLQNTALEI FMANRVAVMF NFPDPATVKK DATA SEQUENCE VVNFLPRVGV GTSFGLPQTR RISLASPRQL FKASNMTQRW QHREISNFEY DATA SEQUENCE LMFLNTIAGR SYNDLNQYPV FPWVITNYES EELDLTLPTN FRDLSKPIGA DATA SEQUENCE LNPKRAAFFA ERYESWEDDQ VPKFHYGTHY STASFVLAWL LRIEPFTTYF DATA SEQUENCE LNLQGGKFDH ADRTFSSISR AWRNSQRDTS DIKELIPEFY YLPEMFVNFN DATA SEQUENCE NYNLGVMDDG TVVSDVELPP WAKTSEEFVH INRLALESEF VSCQLHQWID DATA SEQUENCE LIFGYKQQGP EAVRALNVFY YLTYEGAVNL NSITDPVLRE AVEAQIRSFG DATA SEQUENCE QTPSQLLIEP HPPR 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 2076 G HA2 0.000 nan 3.960 nan 0.000 0.244 2076 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2076 G C 0.000 174.935 174.900 0.058 0.000 0.946 2076 G CA 0.000 45.113 45.100 0.022 0.000 0.502 2077 P HA 0.370 nan 4.420 nan 0.000 0.265 2077 P C 0.084 177.431 177.300 0.078 0.000 1.222 2077 P CA -0.214 62.920 63.100 0.056 0.000 0.767 2077 P CB 1.005 32.730 31.700 0.042 0.000 0.801 2078 V N 1.086 121.049 119.914 0.081 0.000 2.406 2078 V HA 0.223 4.343 4.120 0.001 0.000 0.272 2078 V C 0.934 177.072 176.094 0.074 0.000 1.043 2078 V CA 0.122 62.467 62.300 0.075 0.000 0.915 2078 V CB 1.359 33.209 31.823 0.046 0.000 0.988 2078 V HN 0.440 nan 8.190 nan 0.000 0.466 2079 S N 4.450 120.226 115.700 0.128 0.000 2.436 2079 S HA 0.272 4.742 4.470 0.001 0.000 0.228 2079 S C 0.310 174.976 174.600 0.110 0.000 1.014 2079 S CA 0.765 59.110 58.200 0.242 0.000 0.950 2079 S CB -0.261 63.223 63.200 0.475 0.000 0.784 2079 S HN 0.788 nan 8.310 nan 0.000 0.504 2080 L N 0.287 121.440 121.223 -0.116 0.000 2.505 2080 L HA 0.598 4.939 4.340 0.001 0.000 0.259 2080 L C -1.480 175.241 176.870 -0.248 0.000 0.952 2080 L CA -0.281 54.342 54.840 -0.362 0.000 0.840 2080 L CB 2.167 43.674 42.059 -0.920 0.000 1.358 2080 L HN -0.035 nan 8.230 nan 0.000 0.409 2081 S N 2.168 117.742 115.700 -0.209 0.000 2.575 2081 S HA 0.803 5.273 4.470 0.001 0.000 0.278 2081 S C -1.137 173.388 174.600 -0.126 0.000 1.139 2081 S CA -0.177 57.931 58.200 -0.154 0.000 0.954 2081 S CB 1.864 65.003 63.200 -0.102 0.000 1.054 2081 S HN 0.828 nan 8.310 nan 0.000 0.483 2082 T N 4.118 118.621 114.554 -0.085 0.000 2.889 2082 T HA 0.680 5.031 4.350 0.001 0.000 0.315 2082 T C -3.155 171.573 174.700 0.046 0.000 1.291 2082 T CA -1.336 60.751 62.100 -0.022 0.000 1.028 2082 T CB 1.587 70.444 68.868 -0.018 0.000 1.235 2082 T HN 0.395 nan 8.240 nan 0.000 0.491 2083 P HA 0.631 nan 4.420 nan 0.000 0.275 2083 P C -1.355 176.034 177.300 0.148 0.000 1.228 2083 P CA -0.143 63.001 63.100 0.072 0.000 0.786 2083 P CB 0.934 32.666 31.700 0.053 0.000 0.927 2084 A N 1.862 124.766 122.820 0.141 0.000 2.566 2084 A HA 0.529 4.849 4.320 0.001 0.000 0.290 2084 A C -1.791 175.859 177.584 0.110 0.000 1.071 2084 A CA -0.582 51.490 52.037 0.057 0.000 0.658 2084 A CB 1.118 20.089 19.000 -0.049 0.000 1.285 2084 A HN 0.470 nan 8.150 nan 0.000 0.427 2085 Q N 0.007 119.741 119.800 -0.109 0.000 2.353 2085 Q HA 0.560 4.901 4.340 0.001 0.000 0.268 2085 Q C -1.193 174.599 176.000 -0.346 0.000 1.045 2085 Q CA -0.877 54.848 55.803 -0.130 0.000 0.811 2085 Q CB 2.688 31.306 28.738 -0.200 0.000 1.305 2085 Q HN 0.683 nan 8.270 nan 0.000 0.447 2086 L N 2.681 123.622 121.223 -0.470 0.000 2.290 2086 L HA 0.372 4.713 4.340 0.001 0.000 0.284 2086 L C -1.256 175.294 176.870 -0.533 0.000 1.078 2086 L CA -0.152 54.236 54.840 -0.754 0.000 0.815 2086 L CB 1.156 42.743 42.059 -0.788 0.000 1.162 2086 L HN 0.408 nan 8.230 nan 0.000 0.435 2087 V N 6.173 125.723 119.914 -0.607 0.000 2.334 2087 V HA 0.864 4.985 4.120 0.001 0.000 0.281 2087 V C 0.231 176.120 176.094 -0.342 0.000 1.016 2087 V CA 0.079 62.106 62.300 -0.454 0.000 0.832 2087 V CB 0.621 32.141 31.823 -0.505 0.000 0.999 2087 V HN 1.061 nan 8.190 nan 0.000 0.439 2088 A N 6.162 128.849 122.820 -0.223 0.000 2.527 2088 A HA 0.886 5.206 4.320 0.001 0.000 0.293 2088 A C -2.373 175.168 177.584 -0.071 0.000 1.117 2088 A CA -1.633 50.323 52.037 -0.135 0.000 0.723 2088 A CB 1.713 20.642 19.000 -0.118 0.000 1.313 2088 A HN 0.529 nan 8.150 nan 0.000 0.411 2089 P HA -0.169 nan 4.420 nan 0.000 0.218 2089 P C 1.446 178.607 177.300 -0.233 0.000 1.146 2089 P CA 2.328 65.483 63.100 0.092 0.000 0.813 2089 P CB 0.199 32.065 31.700 0.276 0.000 0.778 2090 S N -2.001 113.440 115.700 -0.431 0.000 2.404 2090 S HA 0.133 4.604 4.470 0.001 0.000 0.223 2090 S C 0.947 175.243 174.600 -0.505 0.000 1.040 2090 S CA 0.762 58.384 58.200 -0.964 0.000 0.957 2090 S CB -0.934 61.956 63.200 -0.517 0.000 0.826 2090 S HN 0.104 nan 8.310 nan 0.000 0.491 2091 V N -3.011 116.753 119.914 -0.251 0.000 3.230 2091 V HA 0.767 4.887 4.120 0.001 0.000 0.302 2091 V C -1.629 174.398 176.094 -0.112 0.000 1.421 2091 V CA -1.115 61.097 62.300 -0.145 0.000 1.065 2091 V CB 1.866 33.645 31.823 -0.073 0.000 1.097 2091 V HN -0.007 nan 8.190 nan 0.000 0.460 2092 V N 1.144 121.015 119.914 -0.071 0.000 2.443 2092 V HA 0.526 4.646 4.120 0.001 0.000 0.272 2092 V C -0.379 175.696 176.094 -0.031 0.000 1.002 2092 V CA -0.288 61.951 62.300 -0.102 0.000 0.840 2092 V CB 1.088 32.861 31.823 -0.083 0.000 1.042 2092 V HN 0.772 nan 8.190 nan 0.000 0.446 2093 V N 3.776 123.687 119.914 -0.005 0.000 2.532 2093 V HA 0.445 4.565 4.120 0.001 0.000 0.295 2093 V C 0.422 176.587 176.094 0.118 0.000 1.041 2093 V CA -1.024 61.331 62.300 0.092 0.000 0.926 2093 V CB 1.920 33.845 31.823 0.170 0.000 0.992 2093 V HN 0.689 nan 8.190 nan 0.000 0.457 2094 K N 2.036 122.497 120.400 0.102 0.000 2.237 2094 K HA 0.637 4.957 4.320 0.001 0.000 0.270 2094 K C 0.391 177.061 176.600 0.117 0.000 1.015 2094 K CA 0.276 56.629 56.287 0.110 0.000 0.949 2094 K CB 1.261 33.792 32.500 0.053 0.000 0.976 2094 K HN 1.003 nan 8.250 nan 0.000 0.472 2095 G N 0.224 109.110 108.800 0.143 0.000 2.494 2095 G HA2 0.237 4.197 3.960 0.001 0.000 0.308 2095 G HA3 0.237 4.197 3.960 0.001 0.000 0.308 2095 G C -1.463 173.310 174.900 -0.211 0.000 1.263 2095 G CA -0.503 44.472 45.100 -0.210 0.000 0.840 2095 G HN 0.387 nan 8.290 nan 0.000 0.479 2096 T N 0.816 115.077 114.554 -0.489 0.000 2.809 2096 T HA 0.560 4.910 4.350 0.001 0.000 0.284 2096 T C -0.705 173.853 174.700 -0.237 0.000 0.992 2096 T CA -0.203 61.752 62.100 -0.242 0.000 0.957 2096 T CB 1.317 70.075 68.868 -0.184 0.000 0.942 2096 T HN 0.521 nan 8.240 nan 0.000 0.439 2097 L N 3.417 124.622 121.223 -0.031 0.000 2.272 2097 L HA 0.624 4.964 4.340 0.001 0.000 0.289 2097 L C -0.350 176.407 176.870 -0.189 0.000 1.032 2097 L CA -0.122 54.698 54.840 -0.033 0.000 0.810 2097 L CB 0.788 42.836 42.059 -0.018 0.000 1.205 2097 L HN 0.578 nan 8.230 nan 0.000 0.422 2098 S N 3.517 118.980 115.700 -0.395 0.000 2.537 2098 S HA 0.699 5.169 4.470 0.001 0.000 0.301 2098 S C -0.784 173.557 174.600 -0.432 0.000 1.092 2098 S CA -0.630 57.259 58.200 -0.518 0.000 1.048 2098 S CB 2.143 64.809 63.200 -0.889 0.000 1.053 2098 S HN 0.383 nan 8.310 nan 0.000 0.501 2099 V N 2.783 122.566 119.914 -0.217 0.000 2.443 2099 V HA 0.465 4.585 4.120 0.001 0.000 0.293 2099 V C 0.691 176.835 176.094 0.084 0.000 1.021 2099 V CA -0.711 61.592 62.300 0.005 0.000 0.848 2099 V CB 1.205 33.075 31.823 0.079 0.000 0.998 2099 V HN 1.097 nan 8.190 nan 0.000 0.424 2100 T N 1.497 116.098 114.554 0.078 0.000 3.057 2100 T HA 0.246 4.596 4.350 0.001 0.000 0.312 2100 T C 1.045 175.770 174.700 0.041 0.000 1.227 2100 T CA 0.215 62.355 62.100 0.066 0.000 0.929 2100 T CB 0.945 69.840 68.868 0.044 0.000 1.986 2100 T HN 0.372 nan 8.240 nan 0.000 0.579 2101 S N 0.131 115.809 115.700 -0.036 0.000 2.535 2101 S HA 0.179 4.650 4.470 0.001 0.000 0.214 2101 S C 1.674 176.127 174.600 -0.245 0.000 0.980 2101 S CA 0.194 58.383 58.200 -0.018 0.000 0.907 2101 S CB -0.030 63.182 63.200 0.020 0.000 0.790 2101 S HN 0.826 nan 8.310 nan 0.000 0.510 2102 S N 0.755 116.156 115.700 -0.498 0.000 2.687 2102 S HA 0.283 4.753 4.470 0.001 0.000 0.247 2102 S C 0.053 174.049 174.600 -1.007 0.000 1.050 2102 S CA -0.523 57.310 58.200 -0.611 0.000 1.063 2102 S CB 0.302 63.366 63.200 -0.226 0.000 1.039 2102 S HN 0.610 nan 8.310 nan 0.000 0.580 2103 E N 0.593 120.131 120.200 -1.103 0.000 2.427 2103 E HA 0.553 4.904 4.350 0.001 0.000 0.279 2103 E C -1.682 174.925 176.600 0.012 0.000 1.120 2103 E CA -1.348 54.764 56.400 -0.481 0.000 0.869 2103 E CB 0.654 30.334 29.700 -0.033 0.000 1.393 2103 E HN 0.318 nan 8.360 nan 0.000 0.443 2104 L N -0.713 120.756 121.223 0.410 0.000 2.354 2104 L HA 0.883 5.223 4.340 0.001 0.000 0.264 2104 L C -1.275 175.931 176.870 0.560 0.000 1.008 2104 L CA -0.983 54.086 54.840 0.382 0.000 0.819 2104 L CB 1.666 43.954 42.059 0.382 0.000 1.339 2104 L HN 0.751 nan 8.230 nan 0.000 0.420 2105 Y N 0.253 120.780 120.300 0.377 0.000 2.581 2105 Y HA 0.768 5.319 4.550 0.000 0.000 0.337 2105 Y C -1.902 174.261 175.900 0.439 0.000 1.108 2105 Y CA -1.558 56.790 58.100 0.414 0.000 1.033 2105 Y CB 1.252 39.806 38.460 0.157 0.000 1.318 2105 Y HN 0.677 nan 8.280 nan 0.000 0.459 2106 F N 2.005 122.282 119.950 0.544 0.000 2.532 2106 F HA 0.719 5.247 4.527 0.000 0.000 0.321 2106 F C -1.133 174.823 175.800 0.261 0.000 1.089 2106 F CA -0.645 57.570 58.000 0.359 0.000 0.926 2106 F CB 1.788 41.142 39.000 0.589 0.000 1.168 2106 F HN 0.579 nan 8.300 nan 0.000 0.459 2107 E N 4.950 124.694 120.200 -0.759 0.000 2.244 2107 E HA 0.308 4.658 4.350 0.001 0.000 0.260 2107 E C -0.928 175.154 176.600 -0.864 0.000 0.884 2107 E CA -0.614 55.468 56.400 -0.530 0.000 0.777 2107 E CB 1.916 31.510 29.700 -0.178 0.000 1.197 2107 E HN 0.530 nan 8.360 nan 0.000 0.416 2108 V N 0.075 119.615 119.914 -0.623 0.000 2.872 2108 V HA 0.131 4.251 4.120 0.001 0.000 0.307 2108 V C 0.629 176.427 176.094 -0.493 0.000 1.072 2108 V CA -0.438 61.555 62.300 -0.512 0.000 1.148 2108 V CB 0.861 32.371 31.823 -0.522 0.000 0.954 2108 V HN 0.551 nan 8.190 nan 0.000 0.490 2109 D N 2.773 122.901 120.400 -0.455 0.000 2.365 2109 D HA 0.141 4.782 4.640 0.001 0.000 0.237 2109 D C 0.715 176.726 176.300 -0.482 0.000 1.190 2109 D CA -0.189 53.612 54.000 -0.331 0.000 0.867 2109 D CB 1.164 41.854 40.800 -0.185 0.000 1.050 2109 D HN 0.784 nan 8.370 nan 0.000 0.491 2110 E N 2.195 122.181 120.200 -0.357 0.000 2.502 2110 E HA -0.051 4.299 4.350 0.001 0.000 0.194 2110 E C 0.774 177.463 176.600 0.149 0.000 1.062 2110 E CA 0.183 56.502 56.400 -0.135 0.000 0.867 2110 E CB 0.618 30.372 29.700 0.089 0.000 0.888 2110 E HN 0.459 nan 8.360 nan 0.000 0.510 2111 E N 1.129 121.355 120.200 0.042 0.000 2.474 2111 E HA -0.017 4.334 4.350 0.001 0.000 0.195 2111 E C -0.405 176.243 176.600 0.080 0.000 1.039 2111 E CA 0.059 56.500 56.400 0.068 0.000 0.881 2111 E CB 0.192 29.907 29.700 0.025 0.000 0.970 2111 E HN 0.190 nan 8.360 nan 0.000 0.486 2112 D N 1.119 121.575 120.400 0.093 0.000 2.351 2112 D HA 0.007 4.647 4.640 0.001 0.000 0.251 2112 D C -1.226 175.169 176.300 0.158 0.000 1.137 2112 D CA -1.527 52.535 54.000 0.104 0.000 0.879 2112 D CB 1.484 42.335 40.800 0.086 0.000 1.181 2112 D HN -0.125 nan 8.370 nan 0.000 0.448 2113 P HA -0.202 nan 4.420 nan 0.000 0.213 2113 P C 0.754 178.103 177.300 0.082 0.000 1.170 2113 P CA 1.188 64.334 63.100 0.077 0.000 0.898 2113 P CB 0.103 31.831 31.700 0.047 0.000 0.787 2114 N N -0.815 117.934 118.700 0.083 0.000 2.258 2114 N HA -0.182 4.559 4.740 0.001 0.000 0.187 2114 N C 1.673 177.246 175.510 0.106 0.000 1.012 2114 N CA 0.903 53.997 53.050 0.072 0.000 0.870 2114 N CB -0.811 37.718 38.487 0.071 0.000 0.977 2114 N HN 0.188 nan 8.380 nan 0.000 0.434 2115 F N 2.157 122.111 119.950 0.008 0.000 2.128 2115 F HA -0.020 4.508 4.527 0.000 0.000 0.295 2115 F C 2.065 177.871 175.800 0.010 0.000 1.100 2115 F CA 1.204 59.211 58.000 0.011 0.000 1.260 2115 F CB -0.165 38.846 39.000 0.018 0.000 1.009 2115 F HN -0.159 nan 8.300 nan 0.000 0.476 2116 K N 0.337 120.696 120.400 -0.068 0.000 2.152 2116 K HA -0.194 4.127 4.320 0.001 0.000 0.206 2116 K C 1.988 178.487 176.600 -0.168 0.000 1.048 2116 K CA 1.675 57.866 56.287 -0.160 0.000 0.933 2116 K CB -0.195 32.297 32.500 -0.013 0.000 0.721 2116 K HN 0.319 nan 8.250 nan 0.000 0.447 2117 K N 0.572 120.908 120.400 -0.106 0.000 2.057 2117 K HA -0.043 4.277 4.320 0.001 0.000 0.206 2117 K C 0.869 177.397 176.600 -0.121 0.000 1.050 2117 K CA 0.434 56.669 56.287 -0.087 0.000 0.935 2117 K CB -0.147 32.325 32.500 -0.047 0.000 0.715 2117 K HN 0.027 nan 8.250 nan 0.000 0.439 2118 I N 3.103 123.576 120.570 -0.161 0.000 3.055 2118 I HA -0.165 4.006 4.170 0.001 0.000 0.308 2118 I C 0.060 176.082 176.117 -0.159 0.000 1.224 2118 I CA 0.639 61.844 61.300 -0.160 0.000 1.443 2118 I CB -0.368 37.505 38.000 -0.212 0.000 1.318 2118 I HN 0.115 nan 8.210 nan 0.000 0.577 2119 D N 7.282 127.623 120.400 -0.098 0.000 2.210 2119 D HA 0.266 4.907 4.640 0.001 0.000 0.249 2119 D C -1.492 174.777 176.300 -0.050 0.000 1.078 2119 D CA -1.686 52.272 54.000 -0.069 0.000 0.875 2119 D CB 1.062 41.840 40.800 -0.037 0.000 1.175 2119 D HN 0.238 nan 8.370 nan 0.000 0.440 2120 P HA -0.180 nan 4.420 nan 0.000 0.216 2120 P C 1.141 178.452 177.300 0.019 0.000 1.150 2120 P CA 1.562 64.648 63.100 -0.024 0.000 0.837 2120 P CB 0.178 31.861 31.700 -0.029 0.000 0.786 2121 K N -0.632 119.791 120.400 0.038 0.000 2.209 2121 K HA -0.093 4.228 4.320 0.001 0.000 0.204 2121 K C 1.864 178.580 176.600 0.193 0.000 1.048 2121 K CA 1.416 57.757 56.287 0.090 0.000 0.940 2121 K CB -0.804 31.750 32.500 0.092 0.000 0.729 2121 K HN 0.157 nan 8.250 nan 0.000 0.451 2122 I N 1.093 121.763 120.570 0.166 0.000 2.385 2122 I HA -0.141 4.029 4.170 0.001 0.000 0.244 2122 I C 2.229 178.461 176.117 0.192 0.000 1.089 2122 I CA 0.574 62.016 61.300 0.237 0.000 1.410 2122 I CB -0.145 37.917 38.000 0.103 0.000 1.117 2122 I HN 0.076 nan 8.210 nan 0.000 0.429 2123 L N 0.928 122.208 121.223 0.094 0.000 2.263 2123 L HA -0.243 4.097 4.340 0.001 0.000 0.216 2123 L C 2.738 179.671 176.870 0.105 0.000 1.111 2123 L CA 1.026 55.923 54.840 0.095 0.000 0.773 2123 L CB -0.649 41.448 42.059 0.064 0.000 0.906 2123 L HN 0.282 nan 8.230 nan 0.000 0.439 2124 A N -0.563 122.302 122.820 0.076 0.000 1.877 2124 A HA -0.224 4.096 4.320 0.001 0.000 0.216 2124 A C 1.915 179.472 177.584 -0.045 0.000 1.186 2124 A CA 1.399 53.421 52.037 -0.026 0.000 0.620 2124 A CB -0.778 18.139 19.000 -0.139 0.000 0.822 2124 A HN 0.410 nan 8.150 nan 0.000 0.443 2125 Y N 0.902 121.263 120.300 0.102 0.000 2.561 2125 Y HA 0.006 4.556 4.550 0.000 0.000 0.291 2125 Y C 0.890 176.855 175.900 0.108 0.000 1.141 2125 Y CA 0.695 58.859 58.100 0.106 0.000 1.303 2125 Y CB -0.361 38.183 38.460 0.140 0.000 1.015 2125 Y HN 0.089 nan 8.280 nan 0.000 0.547 2126 T N 2.316 117.002 114.554 0.220 0.000 2.901 2126 T HA 0.056 4.407 4.350 0.001 0.000 0.301 2126 T C -0.010 174.765 174.700 0.125 0.000 1.012 2126 T CA -0.242 61.944 62.100 0.143 0.000 1.135 2126 T CB 0.512 69.444 68.868 0.106 0.000 0.936 2126 T HN 0.048 nan 8.240 nan 0.000 0.539 2127 E N 1.202 121.469 120.200 0.113 0.000 2.183 2127 E HA 0.501 4.851 4.350 0.001 0.000 0.271 2127 E C 0.958 177.657 176.600 0.164 0.000 0.919 2127 E CA -0.366 56.111 56.400 0.130 0.000 0.781 2127 E CB 1.756 31.537 29.700 0.135 0.000 1.140 2127 E HN 0.917 nan 8.360 nan 0.000 0.402 2128 G N 2.010 110.937 108.800 0.211 0.000 2.195 2128 G HA2 -0.282 3.679 3.960 0.001 0.000 0.224 2128 G HA3 -0.282 3.679 3.960 0.001 0.000 0.224 2128 G C 0.982 176.105 174.900 0.371 0.000 0.990 2128 G CA 0.254 45.577 45.100 0.371 0.000 0.639 2128 G HN 0.490 nan 8.290 nan 0.000 0.514 2129 L N 0.095 121.427 121.223 0.181 0.000 2.129 2129 L HA 0.014 4.354 4.340 0.001 0.000 0.212 2129 L C 1.561 178.259 176.870 -0.286 0.000 1.087 2129 L CA 1.437 56.281 54.840 0.007 0.000 0.757 2129 L CB -0.251 41.711 42.059 -0.162 0.000 0.896 2129 L HN 0.395 nan 8.230 nan 0.000 0.434 2130 H N -0.985 118.197 119.070 0.187 0.000 2.674 2130 H HA 0.315 4.871 4.556 0.000 0.000 0.235 2130 H C 0.464 175.798 175.328 0.011 0.000 1.330 2130 H CA -0.159 55.943 56.048 0.089 0.000 1.052 2130 H CB 0.189 29.964 29.762 0.022 0.000 1.954 2130 H HN 0.122 nan 8.280 nan 0.000 0.566 2131 G N 0.754 109.595 108.800 0.070 0.000 2.476 2131 G HA2 0.405 4.365 3.960 0.001 0.000 0.269 2131 G HA3 0.405 4.365 3.960 0.001 0.000 0.269 2131 G C -0.219 174.291 174.900 -0.651 0.000 1.195 2131 G CA -0.428 44.374 45.100 -0.496 0.000 0.843 2131 G HN 0.121 nan 8.290 nan 0.000 0.545 2132 K N 0.635 120.488 120.400 -0.911 0.000 2.471 2132 K HA 0.281 4.602 4.320 0.001 0.000 0.252 2132 K C -1.464 174.823 176.600 -0.521 0.000 0.938 2132 K CA -0.586 55.460 56.287 -0.402 0.000 0.796 2132 K CB 2.266 34.655 32.500 -0.186 0.000 1.161 2132 K HN 0.537 nan 8.250 nan 0.000 0.425 2133 W N 4.571 126.012 121.300 0.235 0.000 2.619 2133 W HA 0.284 4.944 4.660 0.000 0.000 0.327 2133 W C -0.800 175.861 176.519 0.238 0.000 1.027 2133 W CA -1.048 56.431 57.345 0.223 0.000 1.233 2133 W CB 1.269 30.881 29.460 0.253 0.000 1.370 2133 W HN 0.234 nan 8.180 nan 0.000 0.453 2134 L N 2.916 124.351 121.223 0.355 0.000 2.380 2134 L HA 0.165 4.506 4.340 0.001 0.000 0.273 2134 L C 1.137 178.267 176.870 0.433 0.000 1.138 2134 L CA 0.042 55.050 54.840 0.282 0.000 0.832 2134 L CB 0.098 42.260 42.059 0.171 0.000 1.124 2134 L HN 0.292 nan 8.230 nan 0.000 0.454 2135 F N 0.772 120.818 119.950 0.160 0.000 2.095 2135 F HA -0.213 4.314 4.527 0.000 0.000 0.298 2135 F C 2.486 178.353 175.800 0.111 0.000 1.104 2135 F CA 1.658 59.738 58.000 0.133 0.000 1.232 2135 F CB -1.593 37.472 39.000 0.108 0.000 0.987 2135 F HN 0.670 nan 8.300 nan 0.000 0.475 2136 T N -2.556 112.181 114.554 0.306 0.000 2.996 2136 T HA -0.186 4.164 4.350 0.001 0.000 0.271 2136 T C 1.540 176.338 174.700 0.163 0.000 1.126 2136 T CA 1.471 63.685 62.100 0.190 0.000 1.103 2136 T CB -0.244 68.707 68.868 0.139 0.000 0.870 2136 T HN 0.113 nan 8.240 nan 0.000 0.528 2137 E N -0.086 120.233 120.200 0.197 0.000 2.476 2137 E HA 0.356 4.707 4.350 0.001 0.000 0.199 2137 E C 0.217 176.928 176.600 0.185 0.000 1.021 2137 E CA -0.289 56.218 56.400 0.179 0.000 0.907 2137 E CB -0.027 29.789 29.700 0.195 0.000 0.974 2137 E HN 0.606 nan 8.360 nan 0.000 0.489 2138 I N 1.480 122.163 120.570 0.189 0.000 2.471 2138 I HA 0.053 4.224 4.170 0.001 0.000 0.286 2138 I C 1.309 177.494 176.117 0.113 0.000 1.079 2138 I CA -0.081 61.312 61.300 0.155 0.000 1.398 2138 I CB 0.813 38.879 38.000 0.111 0.000 1.403 2138 I HN 0.011 nan 8.210 nan 0.000 0.530 2139 R N 3.208 123.786 120.500 0.129 0.000 2.164 2139 R HA 0.198 4.539 4.340 0.001 0.000 0.198 2139 R C 0.165 176.501 176.300 0.061 0.000 1.028 2139 R CA 0.460 56.614 56.100 0.090 0.000 1.083 2139 R CB 0.211 30.573 30.300 0.103 0.000 1.026 2139 R HN 0.729 nan 8.270 nan 0.000 0.514 2140 S N -0.179 115.602 115.700 0.136 0.000 2.588 2140 S HA 0.685 5.156 4.470 0.001 0.000 0.275 2140 S C -0.438 174.274 174.600 0.188 0.000 1.130 2140 S CA -0.830 57.418 58.200 0.081 0.000 0.855 2140 S CB 2.341 65.587 63.200 0.076 0.000 1.116 2140 S HN 0.052 nan 8.310 nan 0.000 0.472 2141 I N 1.619 122.202 120.570 0.022 0.000 2.500 2141 I HA 0.432 4.603 4.170 0.001 0.000 0.286 2141 I C -1.713 174.410 176.117 0.009 0.000 1.063 2141 I CA -0.395 60.970 61.300 0.109 0.000 1.062 2141 I CB 1.445 39.457 38.000 0.019 0.000 1.223 2141 I HN 0.539 nan 8.210 nan 0.000 0.435 2142 F N 3.611 123.657 119.950 0.161 0.000 2.458 2142 F HA 0.380 4.907 4.527 0.000 0.000 0.336 2142 F C 0.871 176.744 175.800 0.121 0.000 1.114 2142 F CA -0.617 57.468 58.000 0.142 0.000 0.987 2142 F CB 2.031 41.146 39.000 0.193 0.000 1.130 2142 F HN 0.336 nan 8.300 nan 0.000 0.458 2143 S N 4.191 120.042 115.700 0.252 0.000 2.562 2143 S HA 0.490 4.960 4.470 0.001 0.000 0.281 2143 S C -0.170 174.558 174.600 0.214 0.000 1.333 2143 S CA -0.361 57.952 58.200 0.190 0.000 1.052 2143 S CB 0.225 63.503 63.200 0.130 0.000 0.884 2143 S HN 0.600 nan 8.310 nan 0.000 0.506 2144 R N 2.237 122.843 120.500 0.176 0.000 2.707 2144 R HA 0.432 4.772 4.340 0.001 0.000 0.272 2144 R C -0.875 175.503 176.300 0.130 0.000 1.011 2144 R CA -0.837 55.350 56.100 0.146 0.000 0.893 2144 R CB 1.556 31.936 30.300 0.132 0.000 1.233 2144 R HN 0.654 nan 8.270 nan 0.000 0.464 2145 R N 0.257 120.822 120.500 0.108 0.000 2.607 2145 R HA 0.449 4.789 4.340 0.001 0.000 0.261 2145 R C -1.088 175.306 176.300 0.158 0.000 1.051 2145 R CA -0.414 55.748 56.100 0.104 0.000 1.110 2145 R CB 0.681 31.012 30.300 0.052 0.000 1.158 2145 R HN 0.547 nan 8.270 nan 0.000 0.543 2146 Y N 1.245 121.540 120.300 -0.008 0.000 2.298 2146 Y HA 0.251 4.801 4.550 0.000 0.000 0.322 2146 Y C -0.977 174.902 175.900 -0.036 0.000 1.138 2146 Y CA -0.955 57.126 58.100 -0.031 0.000 1.127 2146 Y CB 0.466 38.903 38.460 -0.039 0.000 1.178 2146 Y HN 0.557 nan 8.280 nan 0.000 0.428 2147 L N 8.208 129.088 121.223 -0.573 0.000 3.608 2147 L HA -0.359 3.981 4.340 0.001 0.000 0.422 2147 L C 0.473 177.195 176.870 -0.246 0.000 1.260 2147 L CA 0.924 55.468 54.840 -0.493 0.000 0.889 2147 L CB -1.414 40.242 42.059 -0.673 0.000 1.821 2147 L HN 0.907 nan 8.230 nan 0.000 0.884 2148 L N -3.753 117.373 121.223 -0.162 0.000 5.081 2148 L HA -0.270 4.070 4.340 0.001 0.000 0.423 2148 L C 0.794 177.642 176.870 -0.037 0.000 1.019 2148 L CA 1.000 55.787 54.840 -0.088 0.000 1.223 2148 L CB -1.139 40.864 42.059 -0.094 0.000 1.940 2148 L HN 0.530 nan 8.230 nan 0.000 0.675 2149 Q N 0.953 120.736 119.800 -0.027 0.000 2.256 2149 Q HA 0.286 4.626 4.340 0.001 0.000 0.254 2149 Q C 0.348 176.387 176.000 0.065 0.000 0.916 2149 Q CA -0.084 55.734 55.803 0.025 0.000 0.932 2149 Q CB 1.023 29.786 28.738 0.041 0.000 1.207 2149 Q HN 0.081 nan 8.270 nan 0.000 0.426 2150 N N 1.589 120.329 118.700 0.067 0.000 3.178 2150 N HA 0.008 4.748 4.740 0.001 0.000 0.300 2150 N C -0.465 175.109 175.510 0.108 0.000 1.242 2150 N CA 0.058 53.158 53.050 0.083 0.000 1.192 2150 N CB -0.037 38.491 38.487 0.068 0.000 1.463 2150 N HN 0.545 nan 8.380 nan 0.000 0.539 2151 T N -2.267 112.372 114.554 0.141 0.000 3.399 2151 T HA 0.623 4.974 4.350 0.001 0.000 0.305 2151 T C 0.170 175.022 174.700 0.254 0.000 0.983 2151 T CA -0.465 61.747 62.100 0.187 0.000 0.967 2151 T CB 0.072 69.045 68.868 0.175 0.000 1.186 2151 T HN 0.180 nan 8.240 nan 0.000 0.504 2152 A N 0.913 123.864 122.820 0.218 0.000 2.389 2152 A HA 0.998 5.318 4.320 0.001 0.000 0.293 2152 A C -1.658 176.069 177.584 0.239 0.000 1.186 2152 A CA -1.001 51.152 52.037 0.193 0.000 0.828 2152 A CB 1.630 20.685 19.000 0.092 0.000 1.369 2152 A HN 0.518 nan 8.150 nan 0.000 0.446 2153 L N -0.508 120.840 121.223 0.210 0.000 2.549 2153 L HA 0.549 4.889 4.340 0.001 0.000 0.259 2153 L C -0.944 176.017 176.870 0.151 0.000 0.934 2153 L CA 0.035 55.017 54.840 0.238 0.000 0.865 2153 L CB 2.164 44.434 42.059 0.351 0.000 1.352 2153 L HN 0.893 nan 8.230 nan 0.000 0.410 2154 E N 4.264 124.565 120.200 0.169 0.000 2.187 2154 E HA 0.666 5.016 4.350 0.001 0.000 0.268 2154 E C -1.519 175.169 176.600 0.147 0.000 0.896 2154 E CA -0.569 55.860 56.400 0.047 0.000 0.766 2154 E CB 1.465 31.184 29.700 0.031 0.000 1.142 2154 E HN 0.603 nan 8.360 nan 0.000 0.408 2155 I N 4.520 125.052 120.570 -0.063 0.000 2.406 2155 I HA 0.318 4.488 4.170 0.001 0.000 0.290 2155 I C -0.982 175.083 176.117 -0.087 0.000 0.999 2155 I CA -0.798 60.525 61.300 0.039 0.000 1.124 2155 I CB 0.956 38.940 38.000 -0.026 0.000 1.289 2155 I HN 0.467 nan 8.210 nan 0.000 0.441 2156 F N 6.114 126.129 119.950 0.109 0.000 2.415 2156 F HA 0.473 5.001 4.527 0.000 0.000 0.348 2156 F C 0.434 176.295 175.800 0.102 0.000 1.119 2156 F CA -0.654 57.408 58.000 0.103 0.000 1.069 2156 F CB 1.114 40.198 39.000 0.139 0.000 1.124 2156 F HN 0.227 nan 8.300 nan 0.000 0.472 2157 M N 1.771 121.509 119.600 0.231 0.000 2.245 2157 M HA 0.356 4.836 4.480 0.001 0.000 0.292 2157 M C 1.356 177.774 176.300 0.196 0.000 1.176 2157 M CA -0.356 55.073 55.300 0.214 0.000 1.035 2157 M CB 0.626 33.363 32.600 0.228 0.000 1.440 2157 M HN 0.700 nan 8.290 nan 0.000 0.494 2158 A N 1.282 124.201 122.820 0.165 0.000 2.015 2158 A HA -0.134 4.186 4.320 0.001 0.000 0.219 2158 A C 1.187 178.844 177.584 0.121 0.000 1.163 2158 A CA 1.573 53.688 52.037 0.130 0.000 0.646 2158 A CB -0.879 18.188 19.000 0.112 0.000 0.806 2158 A HN 0.887 nan 8.150 nan 0.000 0.448 2159 N N -0.876 117.902 118.700 0.129 0.000 2.362 2159 N HA 0.013 4.753 4.740 0.001 0.000 0.211 2159 N C 0.388 175.970 175.510 0.120 0.000 1.170 2159 N CA 0.307 53.424 53.050 0.112 0.000 0.828 2159 N CB -0.434 38.117 38.487 0.107 0.000 1.034 2159 N HN 0.516 nan 8.380 nan 0.000 0.475 2160 R N -2.279 118.308 120.500 0.145 0.000 3.994 2160 R HA -0.129 4.212 4.340 0.001 0.000 0.403 2160 R C -0.775 175.625 176.300 0.166 0.000 1.126 2160 R CA 0.744 56.947 56.100 0.171 0.000 1.143 2160 R CB -2.320 28.060 30.300 0.133 0.000 1.695 2160 R HN 0.159 nan 8.270 nan 0.000 0.555 2161 V N 1.061 121.059 119.914 0.139 0.000 2.614 2161 V HA 0.530 4.650 4.120 0.001 0.000 0.291 2161 V C 0.770 176.864 176.094 -0.000 0.000 1.049 2161 V CA 0.450 62.807 62.300 0.096 0.000 1.038 2161 V CB 1.512 33.423 31.823 0.148 0.000 0.980 2161 V HN 0.325 nan 8.190 nan 0.000 0.481 2162 A N 4.737 127.466 122.820 -0.153 0.000 2.386 2162 A HA 0.841 5.161 4.320 0.001 0.000 0.311 2162 A C -0.975 176.385 177.584 -0.373 0.000 1.068 2162 A CA -0.566 51.180 52.037 -0.486 0.000 0.743 2162 A CB 1.995 20.414 19.000 -0.968 0.000 1.258 2162 A HN 0.856 nan 8.150 nan 0.000 0.429 2163 V N 3.392 123.017 119.914 -0.483 0.000 2.789 2163 V HA 0.812 4.932 4.120 0.001 0.000 0.311 2163 V C -0.805 174.889 176.094 -0.666 0.000 1.073 2163 V CA -0.739 61.214 62.300 -0.578 0.000 0.921 2163 V CB 1.904 33.257 31.823 -0.785 0.000 1.009 2163 V HN 1.062 nan 8.190 nan 0.000 0.426 2164 M N 5.880 125.021 119.600 -0.766 0.000 2.395 2164 M HA 0.696 5.176 4.480 0.001 0.000 0.307 2164 M C -2.199 173.556 176.300 -0.908 0.000 1.091 2164 M CA -0.305 54.623 55.300 -0.620 0.000 0.919 2164 M CB 1.945 34.322 32.600 -0.372 0.000 1.662 2164 M HN 0.633 nan 8.290 nan 0.000 0.440 2165 F N 1.933 121.624 119.950 -0.432 0.000 2.577 2165 F HA 0.542 5.070 4.527 0.001 0.000 0.318 2165 F C -0.349 175.034 175.800 -0.696 0.000 1.065 2165 F CA -0.793 56.814 58.000 -0.655 0.000 0.929 2165 F CB 1.928 40.458 39.000 -0.783 0.000 1.237 2165 F HN 0.572 nan 8.300 nan 0.000 0.468 2166 N N 0.946 119.285 118.700 -0.601 0.000 2.269 2166 N HA 0.626 5.366 4.740 0.001 0.000 0.304 2166 N C -1.716 173.443 175.510 -0.585 0.000 1.072 2166 N CA -0.416 52.357 53.050 -0.461 0.000 0.802 2166 N CB 1.143 39.391 38.487 -0.398 0.000 1.348 2166 N HN 0.368 nan 8.380 nan 0.000 0.484 2167 F N 2.037 122.007 119.950 0.034 0.000 2.575 2167 F HA 0.509 5.037 4.527 0.001 0.000 0.330 2167 F C -1.234 174.589 175.800 0.038 0.000 1.056 2167 F CA -1.880 56.136 58.000 0.026 0.000 0.964 2167 F CB 1.453 40.456 39.000 0.004 0.000 1.258 2167 F HN 0.418 nan 8.300 nan 0.000 0.484 2168 P HA -0.136 nan 4.420 nan 0.000 0.216 2168 P C -0.973 176.399 177.300 0.119 0.000 1.157 2168 P CA 1.865 65.047 63.100 0.138 0.000 0.880 2168 P CB 0.000 31.765 31.700 0.108 0.000 0.791 2169 D N -5.877 114.596 120.400 0.121 0.000 2.643 2169 D HA 0.145 4.785 4.640 0.001 0.000 0.283 2169 D C -2.423 173.925 176.300 0.081 0.000 1.242 2169 D CA -2.019 52.034 54.000 0.087 0.000 0.863 2169 D CB -0.368 40.464 40.800 0.053 0.000 1.382 2169 D HN -0.110 nan 8.370 nan 0.000 0.444 2170 P HA -0.114 nan 4.420 nan 0.000 0.220 2170 P C 1.129 178.437 177.300 0.012 0.000 1.148 2170 P CA 1.461 64.591 63.100 0.050 0.000 0.803 2170 P CB 0.009 31.737 31.700 0.047 0.000 0.782 2171 A N 0.188 123.010 122.820 0.004 0.000 1.933 2171 A HA -0.128 4.193 4.320 0.001 0.000 0.218 2171 A C 2.289 179.834 177.584 -0.065 0.000 1.175 2171 A CA 2.225 54.250 52.037 -0.019 0.000 0.628 2171 A CB -1.829 17.165 19.000 -0.009 0.000 0.814 2171 A HN 0.200 nan 8.150 nan 0.000 0.444 2172 T N -0.410 114.090 114.554 -0.089 0.000 2.867 2172 T HA -0.067 4.283 4.350 0.001 0.000 0.268 2172 T C 1.855 176.325 174.700 -0.385 0.000 1.057 2172 T CA 1.330 63.300 62.100 -0.218 0.000 1.136 2172 T CB -0.319 68.441 68.868 -0.180 0.000 0.874 2172 T HN 0.178 nan 8.240 nan 0.000 0.466 2173 V N 1.757 121.517 119.914 -0.256 0.000 2.261 2173 V HA -0.178 3.942 4.120 0.001 0.000 0.246 2173 V C 2.533 178.532 176.094 -0.158 0.000 1.047 2173 V CA 1.724 63.889 62.300 -0.226 0.000 1.015 2173 V CB -0.569 31.252 31.823 -0.004 0.000 0.642 2173 V HN 0.327 nan 8.190 nan 0.000 0.446 2174 K N 1.017 121.365 120.400 -0.086 0.000 2.044 2174 K HA -0.242 4.078 4.320 0.001 0.000 0.210 2174 K C 2.143 178.718 176.600 -0.042 0.000 1.049 2174 K CA 2.042 58.303 56.287 -0.044 0.000 0.927 2174 K CB -0.456 32.032 32.500 -0.020 0.000 0.713 2174 K HN 0.401 nan 8.250 nan 0.000 0.443 2175 K N -0.353 120.001 120.400 -0.076 0.000 2.026 2175 K HA -0.084 4.236 4.320 0.001 0.000 0.208 2175 K C 1.839 178.416 176.600 -0.038 0.000 1.048 2175 K CA 1.526 57.792 56.287 -0.034 0.000 0.929 2175 K CB -0.112 32.314 32.500 -0.123 0.000 0.713 2175 K HN 0.032 nan 8.250 nan 0.000 0.439 2176 V N 0.711 120.486 119.914 -0.232 0.000 2.407 2176 V HA -0.221 3.900 4.120 0.001 0.000 0.248 2176 V C 2.222 178.281 176.094 -0.059 0.000 1.055 2176 V CA 1.477 63.632 62.300 -0.241 0.000 1.049 2176 V CB -0.129 31.407 31.823 -0.479 0.000 0.662 2176 V HN 0.183 nan 8.190 nan 0.000 0.455 2177 V N 0.409 120.290 119.914 -0.055 0.000 2.427 2177 V HA -0.181 3.939 4.120 0.001 0.000 0.248 2177 V C 2.117 178.219 176.094 0.013 0.000 1.051 2177 V CA 1.785 64.071 62.300 -0.023 0.000 1.048 2177 V CB -0.734 31.075 31.823 -0.025 0.000 0.666 2177 V HN 0.590 nan 8.190 nan 0.000 0.456 2178 N N -0.697 118.048 118.700 0.075 0.000 2.512 2178 N HA -0.017 4.724 4.740 0.001 0.000 0.183 2178 N C 1.244 176.792 175.510 0.064 0.000 1.073 2178 N CA 0.962 54.051 53.050 0.066 0.000 0.911 2178 N CB -0.015 38.517 38.487 0.076 0.000 0.964 2178 N HN 0.444 nan 8.380 nan 0.000 0.447 2179 F N -0.002 119.910 119.950 -0.064 0.000 2.731 2179 F HA 0.250 4.777 4.527 0.000 0.000 0.298 2179 F C 0.683 176.438 175.800 -0.075 0.000 1.106 2179 F CA -0.309 57.682 58.000 -0.015 0.000 1.329 2179 F CB 0.209 39.219 39.000 0.017 0.000 1.100 2179 F HN -0.142 nan 8.300 nan 0.000 0.592 2180 L N 0.526 121.720 121.223 -0.049 0.000 2.416 2180 L HA 0.396 4.736 4.340 0.001 0.000 0.262 2180 L C -2.041 174.575 176.870 -0.423 0.000 1.093 2180 L CA -2.274 52.319 54.840 -0.413 0.000 0.801 2180 L CB -0.106 41.788 42.059 -0.275 0.000 1.191 2180 L HN -0.244 nan 8.230 nan 0.000 0.459 2181 P HA 0.036 nan 4.420 nan 0.000 0.266 2181 P C -0.776 176.423 177.300 -0.168 0.000 1.195 2181 P CA -0.204 62.716 63.100 -0.301 0.000 0.768 2181 P CB 0.273 31.826 31.700 -0.245 0.000 0.838 2182 R N 3.262 123.701 120.500 -0.100 0.000 2.429 2182 R HA 0.129 4.469 4.340 0.001 0.000 0.302 2182 R C 0.437 176.700 176.300 -0.062 0.000 1.268 2182 R CA 0.071 56.126 56.100 -0.074 0.000 1.090 2182 R CB -0.471 29.797 30.300 -0.054 0.000 1.102 2182 R HN 0.416 nan 8.270 nan 0.000 0.522 2183 V N 0.865 120.736 119.914 -0.072 0.000 3.548 2183 V HA 0.357 4.477 4.120 0.001 0.000 0.279 2183 V C 1.031 177.071 176.094 -0.091 0.000 1.446 2183 V CA 0.407 62.669 62.300 -0.064 0.000 1.023 2183 V CB 0.024 31.818 31.823 -0.047 0.000 0.820 2183 V HN 0.846 nan 8.190 nan 0.000 0.438 2184 G N 1.087 109.823 108.800 -0.107 0.000 2.556 2184 G HA2 -0.286 3.674 3.960 0.001 0.000 0.283 2184 G HA3 -0.286 3.674 3.960 0.001 0.000 0.283 2184 G C 0.525 175.266 174.900 -0.264 0.000 1.177 2184 G CA 0.446 45.457 45.100 -0.149 0.000 0.978 2184 G HN 0.938 nan 8.290 nan 0.000 0.554 2185 V N 2.433 122.142 119.914 -0.341 0.000 3.444 2185 V HA 0.565 4.686 4.120 0.001 0.000 0.308 2185 V C 1.395 177.220 176.094 -0.449 0.000 1.371 2185 V CA 1.989 63.891 62.300 -0.663 0.000 1.141 2185 V CB -0.580 30.869 31.823 -0.623 0.000 1.037 2185 V HN 2.605 nan 8.190 nan 0.000 0.433 2186 G N 0.600 109.245 108.800 -0.259 0.000 2.549 2186 G HA2 -0.184 3.776 3.960 0.001 0.000 0.404 2186 G HA3 -0.184 3.776 3.960 0.001 0.000 0.404 2186 G C 0.451 175.250 174.900 -0.169 0.000 1.292 2186 G CA 0.212 45.192 45.100 -0.201 0.000 0.935 2186 G HN 0.546 nan 8.290 nan 0.000 0.512 2187 T N -2.834 111.632 114.554 -0.147 0.000 2.990 2187 T HA 0.289 4.639 4.350 0.001 0.000 0.250 2187 T C 2.559 177.206 174.700 -0.089 0.000 1.041 2187 T CA 1.570 63.616 62.100 -0.091 0.000 1.010 2187 T CB -0.068 68.768 68.868 -0.053 0.000 1.003 2187 T HN 1.828 nan 8.240 nan 0.000 0.499 2188 S N 1.502 117.093 115.700 -0.182 0.000 2.399 2188 S HA 0.032 4.503 4.470 0.001 0.000 0.231 2188 S C 1.392 176.062 174.600 0.116 0.000 1.022 2188 S CA 0.462 58.590 58.200 -0.120 0.000 0.983 2188 S CB -1.162 61.878 63.200 -0.268 0.000 0.803 2188 S HN 0.645 nan 8.310 nan 0.000 0.480 2189 F N 1.948 121.910 119.950 0.019 0.000 2.660 2189 F HA 0.376 4.903 4.527 0.000 0.000 0.302 2189 F C 1.762 177.541 175.800 -0.035 0.000 1.103 2189 F CA -0.306 57.689 58.000 -0.008 0.000 1.340 2189 F CB -0.142 38.934 39.000 0.126 0.000 1.048 2189 F HN 0.415 nan 8.300 nan 0.000 0.551 2190 G N 2.151 111.028 108.800 0.129 0.000 2.273 2190 G HA2 -0.308 3.652 3.960 0.001 0.000 0.280 2190 G HA3 -0.308 3.652 3.960 0.001 0.000 0.280 2190 G C -0.355 174.580 174.900 0.058 0.000 1.047 2190 G CA -0.052 45.084 45.100 0.060 0.000 0.869 2190 G HN 0.348 nan 8.290 nan 0.000 0.502 2191 L N -0.342 120.924 121.223 0.071 0.000 2.346 2191 L HA 0.514 4.854 4.340 0.001 0.000 0.274 2191 L C -1.847 175.029 176.870 0.010 0.000 1.007 2191 L CA -2.534 52.338 54.840 0.053 0.000 0.818 2191 L CB 1.879 43.994 42.059 0.093 0.000 1.284 2191 L HN -0.121 nan 8.230 nan 0.000 0.424 2192 P HA 0.004 nan 4.420 nan 0.000 0.266 2192 P C -1.046 176.236 177.300 -0.031 0.000 1.195 2192 P CA -0.082 63.011 63.100 -0.013 0.000 0.768 2192 P CB 0.328 32.023 31.700 -0.009 0.000 0.838 2193 Q N 1.248 121.027 119.800 -0.036 0.000 3.150 2193 Q HA 0.186 4.526 4.340 0.001 0.000 0.297 2193 Q C -0.037 175.933 176.000 -0.048 0.000 1.382 2193 Q CA -0.169 55.602 55.803 -0.053 0.000 1.059 2193 Q CB -0.114 28.595 28.738 -0.048 0.000 1.559 2193 Q HN 0.519 nan 8.270 nan 0.000 0.548 2194 T N -3.487 111.038 114.554 -0.049 0.000 2.912 2194 T HA 0.386 4.736 4.350 0.001 0.000 0.288 2194 T C 0.932 175.601 174.700 -0.051 0.000 1.030 2194 T CA -0.984 61.091 62.100 -0.042 0.000 1.020 2194 T CB 1.836 70.687 68.868 -0.029 0.000 1.056 2194 T HN 0.317 nan 8.240 nan 0.000 0.480 2195 R N 0.079 120.551 120.500 -0.046 0.000 2.127 2195 R HA -0.086 4.255 4.340 0.001 0.000 0.238 2195 R C 2.575 178.853 176.300 -0.035 0.000 1.134 2195 R CA 1.318 57.391 56.100 -0.045 0.000 0.975 2195 R CB -0.265 30.012 30.300 -0.039 0.000 0.865 2195 R HN 0.685 nan 8.270 nan 0.000 0.447 2196 R N 0.913 121.397 120.500 -0.027 0.000 2.096 2196 R HA -0.119 4.221 4.340 0.001 0.000 0.235 2196 R C 1.949 178.238 176.300 -0.018 0.000 1.127 2196 R CA 1.208 57.299 56.100 -0.016 0.000 0.968 2196 R CB -0.062 30.232 30.300 -0.009 0.000 0.861 2196 R HN 0.080 nan 8.270 nan 0.000 0.440 2197 I N 1.127 121.678 120.570 -0.032 0.000 2.361 2197 I HA -0.163 4.007 4.170 0.001 0.000 0.251 2197 I C 1.872 177.949 176.117 -0.067 0.000 1.133 2197 I CA 1.287 62.564 61.300 -0.040 0.000 1.413 2197 I CB -0.866 37.102 38.000 -0.054 0.000 1.073 2197 I HN 0.159 nan 8.210 nan 0.000 0.424 2198 S N 0.283 115.933 115.700 -0.085 0.000 2.507 2198 S HA 0.039 4.509 4.470 0.001 0.000 0.235 2198 S C 1.762 176.349 174.600 -0.022 0.000 0.988 2198 S CA 0.651 58.793 58.200 -0.097 0.000 0.944 2198 S CB 0.001 63.148 63.200 -0.088 0.000 0.762 2198 S HN 0.389 nan 8.310 nan 0.000 0.526 2199 L N 0.104 121.324 121.223 -0.005 0.000 2.817 2199 L HA 0.396 4.737 4.340 0.001 0.000 0.248 2199 L C 0.887 177.777 176.870 0.033 0.000 1.133 2199 L CA -0.328 54.526 54.840 0.022 0.000 0.935 2199 L CB -0.119 41.949 42.059 0.015 0.000 1.266 2199 L HN 0.113 nan 8.230 nan 0.000 0.535 2200 A N 0.847 123.683 122.820 0.026 0.000 2.466 2200 A HA 0.302 4.622 4.320 0.001 0.000 0.238 2200 A C 0.800 178.419 177.584 0.058 0.000 1.074 2200 A CA 0.148 52.208 52.037 0.039 0.000 0.774 2200 A CB 0.142 19.164 19.000 0.036 0.000 1.015 2200 A HN 0.350 nan 8.150 nan 0.000 0.498 2201 S N 1.879 117.614 115.700 0.059 0.000 2.603 2201 S HA 0.331 4.802 4.470 0.001 0.000 0.268 2201 S C -1.928 172.715 174.600 0.071 0.000 1.317 2201 S CA -0.705 57.533 58.200 0.063 0.000 1.012 2201 S CB 0.573 63.806 63.200 0.055 0.000 0.926 2201 S HN 0.443 nan 8.310 nan 0.000 0.539 2202 P HA -0.130 nan 4.420 nan 0.000 0.216 2202 P C 1.663 179.004 177.300 0.069 0.000 1.153 2202 P CA 1.258 64.386 63.100 0.047 0.000 0.858 2202 P CB 0.055 31.765 31.700 0.016 0.000 0.789 2203 R N -0.426 120.113 120.500 0.066 0.000 2.105 2203 R HA -0.151 4.189 4.340 0.001 0.000 0.239 2203 R C 2.303 178.694 176.300 0.151 0.000 1.135 2203 R CA 1.516 57.671 56.100 0.092 0.000 0.967 2203 R CB -0.629 29.707 30.300 0.061 0.000 0.861 2203 R HN 0.433 nan 8.270 nan 0.000 0.442 2204 Q N 0.205 120.073 119.800 0.113 0.000 2.123 2204 Q HA -0.033 4.307 4.340 0.001 0.000 0.199 2204 Q C 2.271 178.344 176.000 0.122 0.000 0.966 2204 Q CA 0.845 56.712 55.803 0.107 0.000 0.845 2204 Q CB -0.021 28.762 28.738 0.073 0.000 0.907 2204 Q HN 0.300 nan 8.270 nan 0.000 0.439 2205 L N -0.264 121.037 121.223 0.130 0.000 2.046 2205 L HA -0.169 4.171 4.340 0.001 0.000 0.208 2205 L C 2.265 179.247 176.870 0.186 0.000 1.077 2205 L CA 1.038 55.965 54.840 0.146 0.000 0.747 2205 L CB -0.401 41.744 42.059 0.144 0.000 0.896 2205 L HN 0.195 nan 8.230 nan 0.000 0.432 2206 F N 1.086 121.069 119.950 0.054 0.000 2.075 2206 F HA -0.277 4.250 4.527 0.000 0.000 0.297 2206 F C 2.671 178.533 175.800 0.104 0.000 1.113 2206 F CA 1.951 60.001 58.000 0.084 0.000 1.218 2206 F CB -0.170 38.839 39.000 0.015 0.000 0.984 2206 F HN -0.128 nan 8.300 nan 0.000 0.472 2207 K N 0.085 120.609 120.400 0.206 0.000 2.097 2207 K HA -0.130 4.191 4.320 0.001 0.000 0.206 2207 K C 1.928 178.526 176.600 -0.003 0.000 1.049 2207 K CA 1.275 57.618 56.287 0.094 0.000 0.933 2207 K CB -0.363 32.229 32.500 0.154 0.000 0.717 2207 K HN 0.337 nan 8.250 nan 0.000 0.442 2208 A N 0.293 123.129 122.820 0.027 0.000 2.178 2208 A HA 0.062 4.383 4.320 0.001 0.000 0.211 2208 A C 1.054 178.639 177.584 0.002 0.000 1.157 2208 A CA 0.206 52.254 52.037 0.017 0.000 0.780 2208 A CB -0.040 18.984 19.000 0.040 0.000 0.828 2208 A HN 0.298 nan 8.150 nan 0.000 0.476 2209 S N 0.125 115.814 115.700 -0.018 0.000 2.645 2209 S HA 0.195 4.665 4.470 0.001 0.000 0.266 2209 S C 0.831 175.369 174.600 -0.104 0.000 1.258 2209 S CA 0.028 58.212 58.200 -0.028 0.000 0.990 2209 S CB 0.277 63.485 63.200 0.013 0.000 0.967 2209 S HN 0.676 nan 8.310 nan 0.000 0.556 2210 N N 1.769 120.408 118.700 -0.102 0.000 2.200 2210 N HA 0.098 4.838 4.740 0.001 0.000 0.224 2210 N C 1.086 176.517 175.510 -0.131 0.000 1.179 2210 N CA -0.415 52.580 53.050 -0.091 0.000 0.877 2210 N CB 0.088 38.552 38.487 -0.039 0.000 1.072 2210 N HN 0.366 nan 8.380 nan 0.000 0.519 2211 M N 0.781 120.207 119.600 -0.290 0.000 2.175 2211 M HA -0.044 4.436 4.480 0.001 0.000 0.264 2211 M C 1.622 177.836 176.300 -0.142 0.000 1.063 2211 M CA 1.353 56.414 55.300 -0.397 0.000 1.119 2211 M CB -0.982 30.830 32.600 -1.313 0.000 1.377 2211 M HN 0.230 nan 8.290 nan 0.000 0.415 2212 T N 0.194 114.702 114.554 -0.078 0.000 2.622 2212 T HA -0.234 4.117 4.350 0.001 0.000 0.266 2212 T C 1.810 176.516 174.700 0.011 0.000 1.047 2212 T CA 1.634 63.735 62.100 0.002 0.000 1.159 2212 T CB -0.343 68.518 68.868 -0.012 0.000 0.863 2212 T HN 0.427 nan 8.240 nan 0.000 0.422 2213 Q N 0.631 120.420 119.800 -0.018 0.000 2.077 2213 Q HA -0.180 4.160 4.340 0.001 0.000 0.206 2213 Q C 2.573 178.629 176.000 0.092 0.000 0.989 2213 Q CA 1.435 57.245 55.803 0.011 0.000 0.853 2213 Q CB -0.052 28.734 28.738 0.080 0.000 0.907 2213 Q HN 0.388 nan 8.270 nan 0.000 0.418 2214 R N -0.722 119.837 120.500 0.099 0.000 2.127 2214 R HA -0.196 4.144 4.340 0.001 0.000 0.238 2214 R C 1.897 178.248 176.300 0.086 0.000 1.134 2214 R CA 1.482 57.651 56.100 0.114 0.000 0.975 2214 R CB -0.517 29.815 30.300 0.054 0.000 0.865 2214 R HN 0.501 nan 8.270 nan 0.000 0.447 2215 W N 2.152 123.335 121.300 -0.195 0.000 2.418 2215 W HA -0.125 4.535 4.660 0.000 0.000 0.292 2215 W C 1.751 178.121 176.519 -0.248 0.000 1.213 2215 W CA 1.068 58.242 57.345 -0.284 0.000 1.283 2215 W CB -0.071 28.953 29.460 -0.726 0.000 1.119 2215 W HN 0.033 nan 8.180 nan 0.000 0.542 2216 Q N -1.313 118.253 119.800 -0.389 0.000 2.172 2216 Q HA -0.159 4.181 4.340 0.001 0.000 0.200 2216 Q C 1.572 177.259 176.000 -0.522 0.000 0.964 2216 Q CA 1.131 56.563 55.803 -0.618 0.000 0.855 2216 Q CB -0.360 28.068 28.738 -0.516 0.000 0.918 2216 Q HN 0.392 nan 8.270 nan 0.000 0.444 2217 H N 0.083 119.034 119.070 -0.199 0.000 2.533 2217 H HA 0.176 4.732 4.556 0.000 0.000 0.271 2217 H C 0.168 175.413 175.328 -0.138 0.000 1.000 2217 H CA 0.305 56.266 56.048 -0.145 0.000 1.149 2217 H CB 0.560 30.267 29.762 -0.093 0.000 1.375 2217 H HN 0.104 nan 8.280 nan 0.000 0.582 2218 R N 0.069 120.500 120.500 -0.115 0.000 3.875 2218 R HA -0.191 4.149 4.340 0.001 0.000 0.321 2218 R C 0.780 177.079 176.300 -0.002 0.000 1.196 2218 R CA 0.564 56.609 56.100 -0.092 0.000 0.868 2218 R CB -2.503 27.740 30.300 -0.094 0.000 1.333 2218 R HN 0.534 nan 8.270 nan 0.000 0.522 2219 E N -0.323 119.898 120.200 0.036 0.000 2.299 2219 E HA 0.075 4.425 4.350 0.001 0.000 0.193 2219 E C 0.552 177.200 176.600 0.080 0.000 0.998 2219 E CA 0.547 56.977 56.400 0.051 0.000 0.851 2219 E CB 0.248 29.978 29.700 0.051 0.000 0.795 2219 E HN 0.114 nan 8.360 nan 0.000 0.492 2220 I N 0.958 121.596 120.570 0.113 0.000 2.509 2220 I HA 0.104 4.275 4.170 0.001 0.000 0.293 2220 I C 0.596 176.863 176.117 0.249 0.000 1.020 2220 I CA -0.668 60.744 61.300 0.188 0.000 1.088 2220 I CB 1.616 39.752 38.000 0.227 0.000 1.267 2220 I HN -0.066 nan 8.210 nan 0.000 0.430 2221 S N 4.932 120.791 115.700 0.264 0.000 2.617 2221 S HA 0.238 4.709 4.470 0.001 0.000 0.259 2221 S C 0.907 175.767 174.600 0.433 0.000 1.301 2221 S CA -0.368 58.005 58.200 0.288 0.000 0.984 2221 S CB 0.825 64.179 63.200 0.256 0.000 0.954 2221 S HN 0.571 nan 8.310 nan 0.000 0.572 2222 N N 0.126 119.069 118.700 0.404 0.000 2.142 2222 N HA -0.024 4.717 4.740 0.001 0.000 0.186 2222 N C 1.260 176.926 175.510 0.260 0.000 1.023 2222 N CA 1.049 54.352 53.050 0.421 0.000 0.852 2222 N CB -0.842 37.833 38.487 0.313 0.000 0.998 2222 N HN 0.697 nan 8.380 nan 0.000 0.424 2223 F N 2.241 122.294 119.950 0.172 0.000 2.046 2223 F HA -0.178 4.349 4.527 0.001 0.000 0.297 2223 F C 2.229 178.178 175.800 0.248 0.000 1.123 2223 F CA 1.618 59.762 58.000 0.241 0.000 1.199 2223 F CB -0.174 38.967 39.000 0.235 0.000 0.972 2223 F HN 0.030 nan 8.300 nan 0.000 0.474 2224 E N -1.116 119.401 120.200 0.529 0.000 2.118 2224 E HA -0.299 4.051 4.350 0.001 0.000 0.195 2224 E C 2.012 178.739 176.600 0.213 0.000 0.992 2224 E CA 1.624 58.253 56.400 0.382 0.000 0.804 2224 E CB -0.513 29.399 29.700 0.355 0.000 0.741 2224 E HN 0.595 nan 8.360 nan 0.000 0.458 2225 Y N 1.079 121.399 120.300 0.034 0.000 2.242 2225 Y HA -0.148 4.402 4.550 0.000 0.000 0.291 2225 Y C 1.845 177.633 175.900 -0.187 0.000 1.137 2225 Y CA 1.168 59.189 58.100 -0.132 0.000 1.181 2225 Y CB -0.133 38.022 38.460 -0.507 0.000 0.989 2225 Y HN -0.040 nan 8.280 nan 0.000 0.527 2226 L N -1.183 119.838 121.223 -0.336 0.000 2.056 2226 L HA -0.255 4.086 4.340 0.001 0.000 0.207 2226 L C 2.401 179.028 176.870 -0.405 0.000 1.078 2226 L CA 0.971 55.469 54.840 -0.570 0.000 0.749 2226 L CB -0.549 40.848 42.059 -1.103 0.000 0.901 2226 L HN 0.220 nan 8.230 nan 0.000 0.433 2227 M N -0.779 118.695 119.600 -0.210 0.000 2.149 2227 M HA -0.233 4.248 4.480 0.001 0.000 0.261 2227 M C 2.307 178.518 176.300 -0.149 0.000 1.064 2227 M CA 1.700 56.949 55.300 -0.086 0.000 1.102 2227 M CB -1.105 31.502 32.600 0.011 0.000 1.369 2227 M HN 0.207 nan 8.290 nan 0.000 0.408 2228 F N 1.064 120.814 119.950 -0.333 0.000 2.075 2228 F HA -0.195 4.333 4.527 0.000 0.000 0.297 2228 F C 2.008 177.455 175.800 -0.590 0.000 1.113 2228 F CA 1.598 59.287 58.000 -0.519 0.000 1.218 2228 F CB -0.686 37.937 39.000 -0.629 0.000 0.984 2228 F HN 0.035 nan 8.300 nan 0.000 0.472 2229 L N 0.448 121.023 121.223 -1.080 0.000 2.042 2229 L HA -0.293 4.047 4.340 0.001 0.000 0.210 2229 L C 2.470 178.691 176.870 -1.082 0.000 1.076 2229 L CA 1.624 55.673 54.840 -1.319 0.000 0.749 2229 L CB -1.005 40.234 42.059 -1.368 0.000 0.893 2229 L HN 0.283 nan 8.230 nan 0.000 0.432 2230 N N -0.579 117.719 118.700 -0.670 0.000 2.084 2230 N HA -0.147 4.593 4.740 0.001 0.000 0.190 2230 N C 1.797 177.124 175.510 -0.306 0.000 1.030 2230 N CA 1.994 54.857 53.050 -0.311 0.000 0.849 2230 N CB -0.202 38.211 38.487 -0.123 0.000 1.012 2230 N HN 0.323 nan 8.380 nan 0.000 0.423 2231 T N 2.128 116.472 114.554 -0.350 0.000 2.708 2231 T HA -0.021 4.330 4.350 0.001 0.000 0.266 2231 T C 1.929 176.459 174.700 -0.283 0.000 1.037 2231 T CA 0.514 62.429 62.100 -0.308 0.000 1.146 2231 T CB 0.025 68.751 68.868 -0.237 0.000 0.865 2231 T HN 0.111 nan 8.240 nan 0.000 0.435 2232 I N 1.559 121.894 120.570 -0.392 0.000 2.493 2232 I HA -0.003 4.168 4.170 0.001 0.000 0.254 2232 I C 2.647 178.660 176.117 -0.174 0.000 1.160 2232 I CA 0.554 61.703 61.300 -0.251 0.000 1.445 2232 I CB -1.450 36.208 38.000 -0.571 0.000 1.086 2232 I HN 0.173 nan 8.210 nan 0.000 0.433 2233 A N -0.166 122.502 122.820 -0.253 0.000 2.167 2233 A HA 0.317 4.637 4.320 0.001 0.000 0.214 2233 A C 1.938 179.504 177.584 -0.029 0.000 1.151 2233 A CA 1.065 53.033 52.037 -0.115 0.000 0.735 2233 A CB -0.422 18.538 19.000 -0.066 0.000 0.802 2233 A HN 0.523 nan 8.150 nan 0.000 0.467 2234 G N -1.505 107.267 108.800 -0.046 0.000 2.184 2234 G HA2 -0.171 3.790 3.960 0.001 0.000 0.206 2234 G HA3 -0.171 3.790 3.960 0.001 0.000 0.206 2234 G C 0.192 175.078 174.900 -0.023 0.000 0.995 2234 G CA -0.151 44.947 45.100 -0.004 0.000 0.651 2234 G HN 0.387 nan 8.290 nan 0.000 0.511 2235 R N 0.806 121.271 120.500 -0.057 0.000 2.491 2235 R HA 0.585 4.925 4.340 0.001 0.000 0.283 2235 R C 0.059 176.282 176.300 -0.128 0.000 1.072 2235 R CA 0.656 56.712 56.100 -0.073 0.000 1.048 2235 R CB 1.383 31.640 30.300 -0.072 0.000 0.983 2235 R HN 0.451 nan 8.270 nan 0.000 0.450 2236 S N 1.446 117.070 115.700 -0.126 0.000 2.541 2236 S HA 0.283 4.753 4.470 0.001 0.000 0.271 2236 S C 0.214 174.736 174.600 -0.129 0.000 1.133 2236 S CA -0.702 57.431 58.200 -0.112 0.000 0.876 2236 S CB 0.957 64.147 63.200 -0.017 0.000 1.105 2236 S HN 0.594 nan 8.310 nan 0.000 0.470 2237 Y N 2.272 122.544 120.300 -0.048 0.000 2.509 2237 Y HA 0.069 4.620 4.550 0.001 0.000 0.293 2237 Y C 2.294 178.307 175.900 0.189 0.000 1.133 2237 Y CA 0.563 58.683 58.100 0.033 0.000 1.283 2237 Y CB 0.147 38.648 38.460 0.068 0.000 1.001 2237 Y HN 0.599 nan 8.280 nan 0.000 0.555 2238 N N -0.168 118.654 118.700 0.204 0.000 2.376 2238 N HA -0.096 4.644 4.740 0.001 0.000 0.177 2238 N C -0.235 175.337 175.510 0.102 0.000 1.024 2238 N CA 0.907 54.016 53.050 0.099 0.000 0.893 2238 N CB 0.072 38.516 38.487 -0.073 0.000 0.980 2238 N HN 0.226 nan 8.380 nan 0.000 0.439 2239 D N 0.542 121.026 120.400 0.140 0.000 2.461 2239 D HA 0.180 4.820 4.640 0.001 0.000 0.240 2239 D C 1.080 177.524 176.300 0.239 0.000 1.094 2239 D CA -0.329 53.761 54.000 0.149 0.000 0.868 2239 D CB 0.735 41.610 40.800 0.126 0.000 1.062 2239 D HN -0.090 nan 8.370 nan 0.000 0.530 2240 L N 2.642 124.007 121.223 0.237 0.000 2.447 2240 L HA -0.083 4.258 4.340 0.001 0.000 0.225 2240 L C 1.442 178.382 176.870 0.115 0.000 1.148 2240 L CA 0.535 55.501 54.840 0.210 0.000 0.808 2240 L CB -0.283 41.848 42.059 0.121 0.000 0.928 2240 L HN 0.406 nan 8.230 nan 0.000 0.448 2241 N N 0.164 118.911 118.700 0.077 0.000 2.463 2241 N HA -0.048 4.692 4.740 0.001 0.000 0.181 2241 N C 0.531 176.029 175.510 -0.021 0.000 1.078 2241 N CA 0.648 53.687 53.050 -0.019 0.000 0.902 2241 N CB 0.334 38.783 38.487 -0.063 0.000 0.970 2241 N HN 0.548 nan 8.380 nan 0.000 0.451 2242 Q N -0.034 119.806 119.800 0.066 0.000 2.366 2242 Q HA 0.156 4.497 4.340 0.001 0.000 0.356 2242 Q C -1.122 174.943 176.000 0.107 0.000 0.866 2242 Q CA -0.351 55.478 55.803 0.043 0.000 1.109 2242 Q CB 0.520 29.270 28.738 0.020 0.000 1.361 2242 Q HN 0.171 nan 8.270 nan 0.000 0.404 2243 Y N 1.931 122.238 120.300 0.010 0.000 2.457 2243 Y HA 0.097 4.647 4.550 0.000 0.000 0.341 2243 Y C -2.038 173.874 175.900 0.019 0.000 1.240 2243 Y CA -1.323 56.788 58.100 0.018 0.000 1.437 2243 Y CB 0.527 39.034 38.460 0.079 0.000 1.328 2243 Y HN 0.161 nan 8.280 nan 0.000 0.588 2244 P HA 0.056 nan 4.420 nan 0.000 0.269 2244 P C -1.365 176.039 177.300 0.172 0.000 1.209 2244 P CA 0.179 63.201 63.100 -0.130 0.000 0.776 2244 P CB 0.569 32.026 31.700 -0.404 0.000 0.876 2245 V N 4.461 124.553 119.914 0.297 0.000 2.409 2245 V HA 0.437 4.557 4.120 0.001 0.000 0.291 2245 V C -0.425 175.990 176.094 0.535 0.000 1.020 2245 V CA -0.205 62.330 62.300 0.390 0.000 0.848 2245 V CB 0.655 32.655 31.823 0.295 0.000 0.990 2245 V HN 0.373 nan 8.190 nan 0.000 0.430 2246 F N 6.275 126.307 119.950 0.135 0.000 2.532 2246 F HA 0.672 5.200 4.527 0.001 0.000 0.321 2246 F C -2.218 173.451 175.800 -0.219 0.000 1.089 2246 F CA -2.413 55.531 58.000 -0.094 0.000 0.926 2246 F CB 2.870 41.788 39.000 -0.137 0.000 1.168 2246 F HN 0.291 nan 8.300 nan 0.000 0.459 2247 P HA 0.043 nan 4.420 nan 0.000 0.277 2247 P C -0.965 176.254 177.300 -0.135 0.000 1.240 2247 P CA -0.315 62.425 63.100 -0.599 0.000 0.798 2247 P CB 0.756 31.378 31.700 -1.798 0.000 0.979 2248 W N 1.571 122.859 121.300 -0.019 0.000 2.190 2248 W HA 0.152 4.812 4.660 0.000 0.000 0.330 2248 W C 1.261 177.787 176.519 0.012 0.000 1.299 2248 W CA 0.072 57.457 57.345 0.067 0.000 1.215 2248 W CB 0.399 29.997 29.460 0.229 0.000 1.147 2248 W HN 0.126 nan 8.180 nan 0.000 0.563 2249 V N 3.035 123.112 119.914 0.271 0.000 3.137 2249 V HA 0.167 4.287 4.120 0.001 0.000 0.236 2249 V C 0.461 176.509 176.094 -0.077 0.000 1.260 2249 V CA 0.173 62.550 62.300 0.129 0.000 1.244 2249 V CB -0.081 31.851 31.823 0.181 0.000 1.016 2249 V HN 0.272 nan 8.190 nan 0.000 0.477 2250 I N 1.508 121.994 120.570 -0.139 0.000 2.396 2250 I HA 0.232 4.403 4.170 0.001 0.000 0.292 2250 I C 1.427 177.210 176.117 -0.556 0.000 0.999 2250 I CA 0.352 61.373 61.300 -0.465 0.000 1.310 2250 I CB 1.790 39.505 38.000 -0.475 0.000 1.404 2250 I HN 0.262 nan 8.210 nan 0.000 0.496 2251 T N 0.248 114.366 114.554 -0.728 0.000 2.990 2251 T HA 0.079 4.430 4.350 0.001 0.000 0.249 2251 T C 0.755 174.999 174.700 -0.760 0.000 1.039 2251 T CA -0.125 61.383 62.100 -0.987 0.000 1.036 2251 T CB -0.033 68.530 68.868 -0.507 0.000 0.994 2251 T HN 0.421 nan 8.240 nan 0.000 0.489 2252 N N 0.985 119.289 118.700 -0.659 0.000 2.437 2252 N HA 0.185 4.926 4.740 0.001 0.000 0.243 2252 N C -1.263 174.022 175.510 -0.375 0.000 1.041 2252 N CA -0.552 52.268 53.050 -0.383 0.000 0.940 2252 N CB 0.259 38.574 38.487 -0.288 0.000 1.133 2252 N HN 0.393 nan 8.380 nan 0.000 0.506 2253 Y N 1.384 121.767 120.300 0.139 0.000 2.696 2253 Y HA 0.307 4.857 4.550 0.000 0.000 0.260 2253 Y C 1.093 177.032 175.900 0.064 0.000 1.165 2253 Y CA -0.393 57.804 58.100 0.163 0.000 1.189 2253 Y CB 0.720 39.229 38.460 0.082 0.000 1.180 2253 Y HN 0.452 nan 8.280 nan 0.000 0.538 2254 E N -0.541 119.769 120.200 0.184 0.000 2.192 2254 E HA 0.122 4.472 4.350 0.001 0.000 0.196 2254 E C 0.656 177.324 176.600 0.114 0.000 0.922 2254 E CA 0.222 56.693 56.400 0.119 0.000 0.924 2254 E CB -0.365 29.399 29.700 0.106 0.000 0.911 2254 E HN 0.061 nan 8.360 nan 0.000 0.478 2255 S N 2.379 118.167 115.700 0.147 0.000 2.537 2255 S HA -0.069 4.401 4.470 0.001 0.000 0.280 2255 S C 1.185 175.905 174.600 0.200 0.000 1.335 2255 S CA 0.110 58.396 58.200 0.143 0.000 1.025 2255 S CB 0.578 63.840 63.200 0.104 0.000 0.836 2255 S HN 0.173 nan 8.310 nan 0.000 0.523 2256 E N 0.808 121.086 120.200 0.130 0.000 2.216 2256 E HA 0.038 4.389 4.350 0.001 0.000 0.192 2256 E C 0.252 176.962 176.600 0.184 0.000 0.988 2256 E CA 0.875 57.348 56.400 0.122 0.000 0.834 2256 E CB 0.206 29.947 29.700 0.067 0.000 0.772 2256 E HN 0.565 nan 8.360 nan 0.000 0.479 2257 E N 0.184 120.472 120.200 0.147 0.000 2.277 2257 E HA 0.354 4.705 4.350 0.001 0.000 0.266 2257 E C -0.884 175.694 176.600 -0.037 0.000 0.901 2257 E CA -0.954 55.500 56.400 0.090 0.000 0.782 2257 E CB 2.352 32.068 29.700 0.027 0.000 1.228 2257 E HN -0.104 nan 8.360 nan 0.000 0.424 2258 L N 2.627 123.704 121.223 -0.244 0.000 2.324 2258 L HA 0.259 4.599 4.340 0.001 0.000 0.274 2258 L C -0.662 175.992 176.870 -0.360 0.000 1.012 2258 L CA -0.445 54.061 54.840 -0.556 0.000 0.859 2258 L CB 0.870 42.124 42.059 -1.341 0.000 1.224 2258 L HN 0.271 nan 8.230 nan 0.000 0.429 2259 D N 4.344 124.601 120.400 -0.237 0.000 2.346 2259 D HA 0.054 4.695 4.640 0.001 0.000 0.260 2259 D C 0.977 177.194 176.300 -0.139 0.000 1.252 2259 D CA 0.179 54.095 54.000 -0.140 0.000 0.895 2259 D CB 0.909 41.660 40.800 -0.083 0.000 1.097 2259 D HN 0.624 nan 8.370 nan 0.000 0.489 2260 L N 3.134 124.308 121.223 -0.081 0.000 2.622 2260 L HA -0.047 4.294 4.340 0.001 0.000 0.233 2260 L C 1.897 178.864 176.870 0.161 0.000 1.156 2260 L CA 0.701 55.569 54.840 0.047 0.000 0.866 2260 L CB -0.292 41.805 42.059 0.064 0.000 0.980 2260 L HN 0.460 nan 8.230 nan 0.000 0.448 2261 T N -4.340 110.270 114.554 0.093 0.000 3.054 2261 T HA 0.216 4.566 4.350 0.001 0.000 0.255 2261 T C 0.640 175.364 174.700 0.040 0.000 1.035 2261 T CA -0.247 61.979 62.100 0.209 0.000 0.941 2261 T CB 0.099 69.072 68.868 0.176 0.000 1.026 2261 T HN 0.029 nan 8.240 nan 0.000 0.533 2262 L N 2.805 123.969 121.223 -0.098 0.000 2.342 2262 L HA 0.285 4.625 4.340 0.001 0.000 0.285 2262 L C -1.571 175.170 176.870 -0.215 0.000 1.095 2262 L CA -2.122 52.657 54.840 -0.101 0.000 0.843 2262 L CB 1.479 43.492 42.059 -0.077 0.000 1.201 2262 L HN -0.009 nan 8.230 nan 0.000 0.445 2263 P HA -0.168 nan 4.420 nan 0.000 0.218 2263 P C 1.543 178.839 177.300 -0.008 0.000 1.146 2263 P CA 1.015 64.019 63.100 -0.160 0.000 0.813 2263 P CB 0.260 32.008 31.700 0.080 0.000 0.778 2264 T N -1.448 113.102 114.554 -0.008 0.000 2.977 2264 T HA -0.081 4.270 4.350 0.001 0.000 0.271 2264 T C 1.411 176.086 174.700 -0.042 0.000 1.105 2264 T CA 1.093 63.191 62.100 -0.002 0.000 1.116 2264 T CB -0.791 68.071 68.868 -0.010 0.000 0.878 2264 T HN 0.016 nan 8.240 nan 0.000 0.509 2265 N N 0.089 118.738 118.700 -0.084 0.000 2.336 2265 N HA 0.166 4.906 4.740 0.001 0.000 0.189 2265 N C -0.666 174.568 175.510 -0.459 0.000 1.113 2265 N CA 0.148 53.020 53.050 -0.296 0.000 0.858 2265 N CB 0.167 38.385 38.487 -0.447 0.000 0.970 2265 N HN 0.352 nan 8.380 nan 0.000 0.471 2266 F N 0.798 120.593 119.950 -0.259 0.000 2.450 2266 F HA 0.381 4.908 4.527 0.000 0.000 0.332 2266 F C 1.074 176.826 175.800 -0.080 0.000 1.093 2266 F CA -1.090 56.797 58.000 -0.189 0.000 1.003 2266 F CB 1.035 39.915 39.000 -0.201 0.000 1.151 2266 F HN -0.296 nan 8.300 nan 0.000 0.474 2267 R N 2.262 122.828 120.500 0.110 0.000 2.491 2267 R HA 0.025 4.366 4.340 0.001 0.000 0.283 2267 R C -0.818 175.591 176.300 0.183 0.000 1.072 2267 R CA -0.237 55.950 56.100 0.146 0.000 1.048 2267 R CB 0.556 30.953 30.300 0.162 0.000 0.983 2267 R HN 0.669 nan 8.270 nan 0.000 0.450 2268 D N 4.851 125.355 120.400 0.173 0.000 2.344 2268 D HA 0.001 4.641 4.640 0.001 0.000 0.253 2268 D C 0.933 177.332 176.300 0.165 0.000 1.255 2268 D CA -0.024 54.067 54.000 0.152 0.000 0.894 2268 D CB 0.441 41.318 40.800 0.129 0.000 1.067 2268 D HN 0.569 nan 8.370 nan 0.000 0.492 2269 L N 2.832 124.150 121.223 0.158 0.000 2.551 2269 L HA -0.101 4.240 4.340 0.001 0.000 0.228 2269 L C 2.218 179.213 176.870 0.208 0.000 1.153 2269 L CA 0.732 55.688 54.840 0.193 0.000 0.851 2269 L CB -0.296 41.844 42.059 0.136 0.000 0.959 2269 L HN 0.398 nan 8.230 nan 0.000 0.451 2270 S N -1.684 114.088 115.700 0.120 0.000 2.527 2270 S HA 0.052 4.523 4.470 0.001 0.000 0.222 2270 S C 0.716 175.349 174.600 0.055 0.000 0.985 2270 S CA -0.032 58.206 58.200 0.063 0.000 0.921 2270 S CB -0.023 63.200 63.200 0.038 0.000 0.772 2270 S HN 0.291 nan 8.310 nan 0.000 0.529 2271 K N 1.681 122.138 120.400 0.096 0.000 2.259 2271 K HA 0.552 4.872 4.320 0.001 0.000 0.249 2271 K C -3.146 173.510 176.600 0.094 0.000 0.942 2271 K CA -2.515 53.815 56.287 0.071 0.000 0.816 2271 K CB 1.561 34.107 32.500 0.076 0.000 1.155 2271 K HN 0.014 nan 8.250 nan 0.000 0.428 2272 P HA 0.100 nan 4.420 nan 0.000 0.274 2272 P C 0.810 178.138 177.300 0.046 0.000 1.246 2272 P CA -0.523 62.592 63.100 0.025 0.000 0.795 2272 P CB 0.478 32.178 31.700 -0.001 0.000 1.006 2273 I N 1.046 121.640 120.570 0.039 0.000 2.248 2273 I HA -0.182 3.988 4.170 0.001 0.000 0.248 2273 I C 2.267 178.371 176.117 -0.021 0.000 1.107 2273 I CA 2.062 63.374 61.300 0.019 0.000 1.373 2273 I CB -2.103 35.908 38.000 0.019 0.000 1.055 2273 I HN 0.518 nan 8.210 nan 0.000 0.418 2274 G N 0.200 108.935 108.800 -0.109 0.000 2.498 2274 G HA2 -0.080 3.880 3.960 0.001 0.000 0.219 2274 G HA3 -0.080 3.880 3.960 0.001 0.000 0.219 2274 G C 1.571 176.634 174.900 0.271 0.000 1.119 2274 G CA 0.808 45.950 45.100 0.071 0.000 0.766 2274 G HN 0.523 nan 8.290 nan 0.000 0.552 2275 A N -0.229 122.672 122.820 0.135 0.000 2.303 2275 A HA 0.475 4.795 4.320 0.001 0.000 0.217 2275 A C 2.120 179.761 177.584 0.096 0.000 1.205 2275 A CA -0.148 51.962 52.037 0.120 0.000 0.875 2275 A CB 0.018 19.052 19.000 0.058 0.000 0.910 2275 A HN 0.292 nan 8.150 nan 0.000 0.501 2276 L N -0.168 121.105 121.223 0.084 0.000 2.093 2276 L HA -0.047 4.294 4.340 0.001 0.000 0.208 2276 L C 0.947 177.853 176.870 0.059 0.000 1.085 2276 L CA 0.657 55.544 54.840 0.079 0.000 0.755 2276 L CB -0.407 41.701 42.059 0.082 0.000 0.904 2276 L HN 0.389 nan 8.230 nan 0.000 0.435 2277 N N 0.995 119.719 118.700 0.039 0.000 2.437 2277 N HA 0.097 4.838 4.740 0.001 0.000 0.243 2277 N C -1.621 173.913 175.510 0.040 0.000 1.041 2277 N CA -2.161 50.899 53.050 0.017 0.000 0.940 2277 N CB 1.301 39.769 38.487 -0.032 0.000 1.133 2277 N HN -0.091 nan 8.380 nan 0.000 0.506 2278 P HA -0.213 nan 4.420 nan 0.000 0.216 2278 P C 1.135 178.450 177.300 0.025 0.000 1.153 2278 P CA 1.241 64.364 63.100 0.038 0.000 0.858 2278 P CB 0.622 32.341 31.700 0.033 0.000 0.789 2279 K N 0.126 120.528 120.400 0.005 0.000 2.009 2279 K HA -0.170 4.150 4.320 0.001 0.000 0.210 2279 K C 2.586 179.168 176.600 -0.030 0.000 1.049 2279 K CA 1.382 57.663 56.287 -0.011 0.000 0.929 2279 K CB -0.257 32.227 32.500 -0.026 0.000 0.714 2279 K HN -0.096 nan 8.250 nan 0.000 0.440 2280 R N 0.021 120.479 120.500 -0.070 0.000 2.115 2280 R HA -0.050 4.290 4.340 0.001 0.000 0.226 2280 R C 2.069 178.277 176.300 -0.154 0.000 1.100 2280 R CA 1.074 57.060 56.100 -0.190 0.000 0.980 2280 R CB -0.168 29.994 30.300 -0.231 0.000 0.875 2280 R HN 0.251 nan 8.270 nan 0.000 0.445 2281 A N 0.867 123.725 122.820 0.063 0.000 1.940 2281 A HA -0.139 4.181 4.320 0.001 0.000 0.219 2281 A C 2.314 179.989 177.584 0.151 0.000 1.176 2281 A CA 1.684 53.851 52.037 0.217 0.000 0.631 2281 A CB -0.650 18.444 19.000 0.157 0.000 0.814 2281 A HN 0.523 nan 8.150 nan 0.000 0.446 2282 A N -0.947 121.917 122.820 0.073 0.000 1.902 2282 A HA -0.042 4.279 4.320 0.001 0.000 0.217 2282 A C 2.048 179.663 177.584 0.052 0.000 1.181 2282 A CA 1.523 53.594 52.037 0.056 0.000 0.623 2282 A CB -0.779 18.242 19.000 0.035 0.000 0.818 2282 A HN 0.777 nan 8.150 nan 0.000 0.443 2283 F N -0.012 119.849 119.950 -0.148 0.000 2.065 2283 F HA -0.260 4.267 4.527 0.001 0.000 0.298 2283 F C 1.991 177.724 175.800 -0.111 0.000 1.112 2283 F CA 2.168 60.049 58.000 -0.198 0.000 1.212 2283 F CB -0.433 38.336 39.000 -0.385 0.000 0.975 2283 F HN 0.248 nan 8.300 nan 0.000 0.476 2284 F N 0.475 120.606 119.950 0.301 0.000 2.134 2284 F HA -0.192 4.336 4.527 0.000 0.000 0.299 2284 F C 2.673 178.500 175.800 0.045 0.000 1.097 2284 F CA 0.732 58.815 58.000 0.139 0.000 1.264 2284 F CB -1.063 38.006 39.000 0.114 0.000 1.001 2284 F HN 0.119 nan 8.300 nan 0.000 0.479 2285 A N 0.021 122.981 122.820 0.233 0.000 1.940 2285 A HA -0.226 4.094 4.320 0.001 0.000 0.219 2285 A C 1.985 179.614 177.584 0.074 0.000 1.176 2285 A CA 1.983 54.112 52.037 0.154 0.000 0.631 2285 A CB -0.685 18.366 19.000 0.085 0.000 0.814 2285 A HN 0.447 nan 8.150 nan 0.000 0.446 2286 E N -1.107 119.074 120.200 -0.032 0.000 2.158 2286 E HA -0.092 4.258 4.350 0.001 0.000 0.191 2286 E C 2.272 178.778 176.600 -0.155 0.000 0.982 2286 E CA 0.528 56.870 56.400 -0.098 0.000 0.823 2286 E CB -0.110 29.501 29.700 -0.148 0.000 0.766 2286 E HN 0.573 nan 8.360 nan 0.000 0.468 2287 R N 0.184 120.527 120.500 -0.262 0.000 2.080 2287 R HA -0.217 4.123 4.340 0.001 0.000 0.236 2287 R C 2.143 178.327 176.300 -0.193 0.000 1.137 2287 R CA 1.526 57.461 56.100 -0.276 0.000 0.943 2287 R CB -0.428 29.675 30.300 -0.327 0.000 0.846 2287 R HN 0.238 nan 8.270 nan 0.000 0.431 2288 Y N 1.962 122.077 120.300 -0.309 0.000 2.081 2288 Y HA -0.274 4.276 4.550 0.001 0.000 0.280 2288 Y C 2.378 178.170 175.900 -0.180 0.000 1.163 2288 Y CA 2.185 60.066 58.100 -0.365 0.000 1.135 2288 Y CB -0.080 38.089 38.460 -0.484 0.000 0.970 2288 Y HN 0.169 nan 8.280 nan 0.000 0.498 2289 E N -0.270 119.967 120.200 0.060 0.000 2.049 2289 E HA -0.220 4.130 4.350 0.001 0.000 0.198 2289 E C 2.234 178.803 176.600 -0.051 0.000 1.007 2289 E CA 1.860 58.275 56.400 0.025 0.000 0.809 2289 E CB -0.839 28.878 29.700 0.027 0.000 0.749 2289 E HN 0.578 nan 8.360 nan 0.000 0.450 2290 S N -0.404 115.257 115.700 -0.065 0.000 2.593 2290 S HA -0.037 4.433 4.470 0.001 0.000 0.217 2290 S C 0.606 175.152 174.600 -0.090 0.000 0.966 2290 S CA -0.521 57.632 58.200 -0.079 0.000 0.914 2290 S CB -0.395 62.755 63.200 -0.083 0.000 0.776 2290 S HN 0.326 nan 8.310 nan 0.000 0.523 2291 W N 3.854 124.989 121.300 -0.276 0.000 2.605 2291 W HA 0.235 4.896 4.660 0.001 0.000 0.327 2291 W C -1.077 175.306 176.519 -0.228 0.000 1.332 2291 W CA -0.207 56.967 57.345 -0.285 0.000 1.403 2291 W CB -0.030 29.161 29.460 -0.447 0.000 1.452 2291 W HN 0.328 nan 8.180 nan 0.000 0.503 2292 E N 4.957 124.815 120.200 -0.570 0.000 2.052 2292 E HA -0.030 4.320 4.350 0.001 0.000 0.283 2292 E C 0.125 176.424 176.600 -0.502 0.000 1.071 2292 E CA -0.099 56.061 56.400 -0.400 0.000 0.851 2292 E CB 0.637 30.153 29.700 -0.306 0.000 1.066 2292 E HN 0.337 nan 8.360 nan 0.000 0.396 2293 D N 4.458 124.731 120.400 -0.212 0.000 2.468 2293 D HA 0.009 4.650 4.640 0.001 0.000 0.218 2293 D C -0.110 176.156 176.300 -0.057 0.000 1.155 2293 D CA -0.308 53.670 54.000 -0.036 0.000 0.924 2293 D CB 0.821 41.730 40.800 0.180 0.000 1.029 2293 D HN 0.309 nan 8.370 nan 0.000 0.515 2294 D N 1.619 121.967 120.400 -0.087 0.000 2.103 2294 D HA -0.153 4.487 4.640 0.001 0.000 0.199 2294 D C 1.326 177.601 176.300 -0.042 0.000 0.978 2294 D CA 1.128 55.089 54.000 -0.066 0.000 0.829 2294 D CB 0.377 41.136 40.800 -0.069 0.000 0.981 2294 D HN 0.461 nan 8.370 nan 0.000 0.464 2295 Q N -0.059 119.727 119.800 -0.022 0.000 2.471 2295 Q HA 0.159 4.499 4.340 0.001 0.000 0.259 2295 Q C 0.446 176.376 176.000 -0.118 0.000 0.850 2295 Q CA 0.208 55.984 55.803 -0.046 0.000 0.981 2295 Q CB 1.291 30.023 28.738 -0.010 0.000 1.180 2295 Q HN 0.056 nan 8.270 nan 0.000 0.571 2296 V N 4.887 124.804 119.914 0.005 0.000 2.368 2296 V HA 0.238 4.358 4.120 0.001 0.000 0.266 2296 V C -2.200 173.946 176.094 0.088 0.000 1.045 2296 V CA -1.577 60.679 62.300 -0.073 0.000 0.899 2296 V CB 0.907 32.923 31.823 0.323 0.000 1.006 2296 V HN 0.030 nan 8.190 nan 0.000 0.470 2297 P HA 0.016 nan 4.420 nan 0.000 0.269 2297 P C -0.020 177.248 177.300 -0.053 0.000 1.205 2297 P CA 0.092 63.139 63.100 -0.088 0.000 0.780 2297 P CB 0.532 32.145 31.700 -0.143 0.000 0.858 2298 K N 1.417 121.706 120.400 -0.186 0.000 2.230 2298 K HA 0.450 4.770 4.320 0.001 0.000 0.253 2298 K C 0.013 176.384 176.600 -0.382 0.000 1.008 2298 K CA 0.410 56.336 56.287 -0.602 0.000 0.910 2298 K CB 0.053 31.913 32.500 -1.067 0.000 0.994 2298 K HN 0.508 nan 8.250 nan 0.000 0.495 2299 F N -2.884 116.707 119.950 -0.598 0.000 2.769 2299 F HA 0.266 4.793 4.527 0.000 0.000 0.313 2299 F C -0.151 175.463 175.800 -0.311 0.000 1.146 2299 F CA -0.903 56.939 58.000 -0.263 0.000 0.934 2299 F CB 0.699 39.580 39.000 -0.198 0.000 1.283 2299 F HN 0.508 nan 8.300 nan 0.000 0.443 2300 H N -0.488 118.514 119.070 -0.113 0.000 2.476 2300 H HA 0.329 4.886 4.556 0.001 0.000 0.292 2300 H C -1.044 173.824 175.328 -0.766 0.000 1.019 2300 H CA 1.032 56.692 56.048 -0.647 0.000 1.330 2300 H CB 0.251 29.204 29.762 -1.348 0.000 1.451 2300 H HN 0.502 nan 8.280 nan 0.000 0.535 2301 Y N -0.783 119.555 120.300 0.063 0.000 2.376 2301 Y HA 0.444 4.994 4.550 0.001 0.000 0.340 2301 Y C 1.024 176.977 175.900 0.088 0.000 0.965 2301 Y CA -0.971 57.116 58.100 -0.022 0.000 1.078 2301 Y CB 1.951 40.166 38.460 -0.409 0.000 1.193 2301 Y HN 0.066 nan 8.280 nan 0.000 0.452 2302 G N 1.057 109.992 108.800 0.226 0.000 3.189 2302 G HA2 0.165 4.125 3.960 0.001 0.000 0.225 2302 G HA3 0.165 4.125 3.960 0.001 0.000 0.225 2302 G C 0.028 174.906 174.900 -0.036 0.000 1.159 2302 G CA 0.159 45.171 45.100 -0.146 0.000 0.763 2302 G HN 0.516 nan 8.290 nan 0.000 0.549 2303 T N -0.446 114.214 114.554 0.178 0.000 2.893 2303 T HA 0.449 4.800 4.350 0.001 0.000 0.291 2303 T C -1.252 173.658 174.700 0.350 0.000 1.028 2303 T CA -0.505 61.744 62.100 0.249 0.000 0.995 2303 T CB 2.230 71.260 68.868 0.270 0.000 1.051 2303 T HN 0.174 nan 8.240 nan 0.000 0.470 2304 H N 0.988 120.182 119.070 0.207 0.000 2.630 2304 H HA 0.298 4.854 4.556 0.000 0.000 0.343 2304 H C 0.135 175.586 175.328 0.205 0.000 1.232 2304 H CA -0.497 55.593 56.048 0.069 0.000 1.294 2304 H CB 1.329 30.945 29.762 -0.245 0.000 1.746 2304 H HN 0.804 nan 8.280 nan 0.000 0.593 2305 Y N -0.439 119.850 120.300 -0.019 0.000 2.523 2305 Y HA 0.279 4.830 4.550 0.001 0.000 0.279 2305 Y C 0.584 176.763 175.900 0.466 0.000 1.139 2305 Y CA -0.363 57.853 58.100 0.195 0.000 1.296 2305 Y CB 0.194 38.621 38.460 -0.055 0.000 1.045 2305 Y HN 0.123 nan 8.280 nan 0.000 0.538 2306 S N 0.192 116.192 115.700 0.500 0.000 2.647 2306 S HA 0.710 5.180 4.470 0.001 0.000 0.300 2306 S C -0.878 173.720 174.600 -0.003 0.000 1.129 2306 S CA -0.280 58.158 58.200 0.396 0.000 1.029 2306 S CB 1.344 64.735 63.200 0.319 0.000 1.007 2306 S HN 0.276 nan 8.310 nan 0.000 0.484 2307 T N 2.884 117.319 114.554 -0.199 0.000 2.868 2307 T HA 0.602 4.952 4.350 0.001 0.000 0.306 2307 T C 1.095 175.637 174.700 -0.264 0.000 1.224 2307 T CA -0.006 61.800 62.100 -0.491 0.000 1.012 2307 T CB 1.557 69.729 68.868 -1.161 0.000 1.221 2307 T HN 0.653 nan 8.240 nan 0.000 0.499 2308 A N 0.924 123.619 122.820 -0.209 0.000 1.930 2308 A HA -0.012 4.308 4.320 0.001 0.000 0.217 2308 A C 2.295 179.837 177.584 -0.070 0.000 1.175 2308 A CA 2.120 54.097 52.037 -0.100 0.000 0.627 2308 A CB -0.840 18.118 19.000 -0.070 0.000 0.815 2308 A HN 0.676 nan 8.150 nan 0.000 0.443 2309 S N -0.360 115.255 115.700 -0.141 0.000 2.356 2309 S HA -0.126 4.345 4.470 0.001 0.000 0.223 2309 S C 1.672 176.335 174.600 0.106 0.000 1.032 2309 S CA 1.427 59.612 58.200 -0.025 0.000 1.005 2309 S CB -0.687 62.464 63.200 -0.082 0.000 0.867 2309 S HN 0.643 nan 8.310 nan 0.000 0.449 2310 F N 1.358 121.272 119.950 -0.060 0.000 2.095 2310 F HA -0.181 4.346 4.527 0.001 0.000 0.298 2310 F C 2.530 178.228 175.800 -0.171 0.000 1.104 2310 F CA 0.627 58.512 58.000 -0.192 0.000 1.232 2310 F CB -0.764 38.197 39.000 -0.065 0.000 0.987 2310 F HN 0.047 nan 8.300 nan 0.000 0.475 2311 V N 1.042 121.046 119.914 0.150 0.000 2.252 2311 V HA -0.338 3.782 4.120 0.001 0.000 0.249 2311 V C 2.328 178.407 176.094 -0.025 0.000 1.056 2311 V CA 1.815 64.106 62.300 -0.014 0.000 1.022 2311 V CB -0.809 30.772 31.823 -0.404 0.000 0.641 2311 V HN 0.337 nan 8.190 nan 0.000 0.445 2312 L N -0.049 121.219 121.223 0.075 0.000 2.012 2312 L HA -0.213 4.128 4.340 0.001 0.000 0.210 2312 L C 2.781 179.733 176.870 0.136 0.000 1.073 2312 L CA 1.759 56.732 54.840 0.222 0.000 0.748 2312 L CB -0.935 41.377 42.059 0.421 0.000 0.891 2312 L HN 0.392 nan 8.230 nan 0.000 0.431 2313 A N -0.468 122.399 122.820 0.078 0.000 1.883 2313 A HA -0.249 4.071 4.320 0.001 0.000 0.217 2313 A C 1.982 179.526 177.584 -0.067 0.000 1.186 2313 A CA 1.664 53.650 52.037 -0.086 0.000 0.624 2313 A CB -1.088 17.819 19.000 -0.156 0.000 0.822 2313 A HN 0.523 nan 8.150 nan 0.000 0.444 2314 W N -0.128 121.109 121.300 -0.104 0.000 2.335 2314 W HA -0.095 4.565 4.660 0.001 0.000 0.311 2314 W C 1.577 178.032 176.519 -0.106 0.000 1.213 2314 W CA 0.859 58.073 57.345 -0.218 0.000 1.274 2314 W CB -0.217 29.118 29.460 -0.208 0.000 1.148 2314 W HN 0.192 nan 8.180 nan 0.000 0.498 2315 L N 0.392 121.659 121.223 0.073 0.000 2.653 2315 L HA 0.123 4.463 4.340 0.001 0.000 0.231 2315 L C 1.886 178.767 176.870 0.019 0.000 1.153 2315 L CA -0.319 54.468 54.840 -0.087 0.000 0.933 2315 L CB -0.669 41.107 42.059 -0.471 0.000 1.175 2315 L HN 0.090 nan 8.230 nan 0.000 0.473 2316 L N 0.368 121.617 121.223 0.042 0.000 2.151 2316 L HA -0.279 4.061 4.340 0.001 0.000 0.215 2316 L C 2.607 179.546 176.870 0.115 0.000 1.084 2316 L CA 1.623 56.481 54.840 0.031 0.000 0.764 2316 L CB -0.046 41.902 42.059 -0.184 0.000 0.891 2316 L HN 0.306 nan 8.230 nan 0.000 0.435 2317 R N -0.615 119.919 120.500 0.056 0.000 2.276 2317 R HA 0.165 4.505 4.340 0.001 0.000 0.203 2317 R C 0.133 176.469 176.300 0.060 0.000 1.017 2317 R CA 0.323 56.448 56.100 0.041 0.000 1.010 2317 R CB 0.048 30.322 30.300 -0.043 0.000 0.900 2317 R HN 0.338 nan 8.270 nan 0.000 0.469 2318 I N 1.289 121.914 120.570 0.092 0.000 2.377 2318 I HA 0.134 4.304 4.170 0.001 0.000 0.293 2318 I C 0.030 176.225 176.117 0.131 0.000 0.987 2318 I CA -0.770 60.596 61.300 0.111 0.000 1.185 2318 I CB 1.643 39.723 38.000 0.132 0.000 1.341 2318 I HN -0.031 nan 8.210 nan 0.000 0.455 2319 E N 7.645 127.860 120.200 0.025 0.000 2.343 2319 E HA 0.173 4.523 4.350 0.001 0.000 0.269 2319 E C -1.601 174.774 176.600 -0.376 0.000 1.047 2319 E CA -1.593 54.699 56.400 -0.181 0.000 0.874 2319 E CB 1.013 30.664 29.700 -0.082 0.000 1.033 2319 E HN 0.388 nan 8.360 nan 0.000 0.409 2320 P HA -0.012 nan 4.420 nan 0.000 0.241 2320 P C 1.026 177.532 177.300 -1.323 0.000 1.191 2320 P CA 0.498 62.706 63.100 -1.486 0.000 0.771 2320 P CB 0.063 30.488 31.700 -2.124 0.000 0.929 2321 F N 1.061 120.583 119.950 -0.713 0.000 2.236 2321 F HA -0.179 4.349 4.527 0.000 0.000 0.302 2321 F C 2.372 178.124 175.800 -0.080 0.000 1.073 2321 F CA 1.649 59.442 58.000 -0.345 0.000 1.336 2321 F CB -1.663 37.282 39.000 -0.091 0.000 1.040 2321 F HN -0.042 nan 8.300 nan 0.000 0.507 2322 T N -1.304 113.304 114.554 0.091 0.000 2.674 2322 T HA -0.173 4.178 4.350 0.001 0.000 0.265 2322 T C 2.037 176.813 174.700 0.127 0.000 1.039 2322 T CA 1.946 64.176 62.100 0.217 0.000 1.150 2322 T CB -0.649 68.417 68.868 0.330 0.000 0.864 2322 T HN 0.242 nan 8.240 nan 0.000 0.427 2323 T N 1.149 115.691 114.554 -0.021 0.000 2.746 2323 T HA -0.068 4.282 4.350 0.001 0.000 0.267 2323 T C 1.681 176.474 174.700 0.156 0.000 1.039 2323 T CA 1.147 63.258 62.100 0.019 0.000 1.142 2323 T CB -0.589 68.287 68.868 0.012 0.000 0.866 2323 T HN 0.547 nan 8.240 nan 0.000 0.444 2324 Y N -0.297 120.014 120.300 0.018 0.000 2.165 2324 Y HA -0.165 4.385 4.550 0.001 0.000 0.286 2324 Y C 2.301 178.246 175.900 0.074 0.000 1.155 2324 Y CA 0.671 58.791 58.100 0.033 0.000 1.164 2324 Y CB -0.368 38.118 38.460 0.043 0.000 0.978 2324 Y HN 0.166 nan 8.280 nan 0.000 0.513 2325 F N 0.395 120.457 119.950 0.186 0.000 2.084 2325 F HA -0.241 4.286 4.527 0.001 0.000 0.296 2325 F C 2.063 177.869 175.800 0.009 0.000 1.111 2325 F CA 1.107 59.176 58.000 0.115 0.000 1.224 2325 F CB -0.494 38.598 39.000 0.153 0.000 0.991 2325 F HN -0.137 nan 8.300 nan 0.000 0.471 2326 L N 1.074 122.359 121.223 0.105 0.000 2.043 2326 L HA -0.300 4.040 4.340 0.001 0.000 0.212 2326 L C 2.375 179.155 176.870 -0.150 0.000 1.075 2326 L CA 1.889 56.651 54.840 -0.130 0.000 0.752 2326 L CB -1.998 39.920 42.059 -0.235 0.000 0.891 2326 L HN 0.396 nan 8.230 nan 0.000 0.432 2327 N N 0.747 119.404 118.700 -0.072 0.000 2.013 2327 N HA -0.210 4.530 4.740 0.001 0.000 0.195 2327 N C 1.896 177.337 175.510 -0.115 0.000 1.051 2327 N CA 1.565 54.575 53.050 -0.066 0.000 0.851 2327 N CB -0.161 38.324 38.487 -0.004 0.000 1.044 2327 N HN 0.333 nan 8.380 nan 0.000 0.422 2328 L N 0.332 121.473 121.223 -0.137 0.000 2.353 2328 L HA -0.096 4.244 4.340 0.001 0.000 0.220 2328 L C 2.370 179.099 176.870 -0.236 0.000 1.133 2328 L CA 0.691 55.429 54.840 -0.170 0.000 0.798 2328 L CB -0.255 41.708 42.059 -0.159 0.000 0.922 2328 L HN 0.268 nan 8.230 nan 0.000 0.445 2329 Q N 0.061 119.664 119.800 -0.329 0.000 2.302 2329 Q HA 0.060 4.400 4.340 0.001 0.000 0.202 2329 Q C 1.346 177.240 176.000 -0.178 0.000 0.936 2329 Q CA 1.195 56.801 55.803 -0.328 0.000 0.886 2329 Q CB 0.570 29.004 28.738 -0.508 0.000 0.986 2329 Q HN 0.393 nan 8.270 nan 0.000 0.487 2330 G N -2.852 105.857 108.800 -0.151 0.000 2.200 2330 G HA2 0.092 4.053 3.960 0.001 0.000 0.145 2330 G HA3 0.092 4.053 3.960 0.001 0.000 0.145 2330 G C 0.677 175.520 174.900 -0.094 0.000 1.021 2330 G CA 0.142 45.181 45.100 -0.102 0.000 0.720 2330 G HN 0.886 nan 8.290 nan 0.000 0.494 2331 G N -0.906 107.821 108.800 -0.122 0.000 2.308 2331 G HA2 -0.139 3.821 3.960 0.001 0.000 0.221 2331 G HA3 -0.139 3.821 3.960 0.001 0.000 0.221 2331 G C 0.238 175.039 174.900 -0.165 0.000 1.032 2331 G CA 0.918 45.943 45.100 -0.125 0.000 0.623 2331 G HN 0.979 nan 8.290 nan 0.000 0.506 2332 K N 0.316 120.640 120.400 -0.126 0.000 2.203 2332 K HA 0.771 5.091 4.320 0.001 0.000 0.251 2332 K C 0.171 176.750 176.600 -0.034 0.000 0.944 2332 K CA -0.950 55.277 56.287 -0.101 0.000 0.829 2332 K CB 0.679 33.177 32.500 -0.004 0.000 1.125 2332 K HN 0.052 nan 8.250 nan 0.000 0.430 2333 F N 0.689 120.719 119.950 0.133 0.000 2.646 2333 F HA -0.052 4.475 4.527 0.001 0.000 0.321 2333 F C 1.477 177.431 175.800 0.258 0.000 1.241 2333 F CA 0.679 58.833 58.000 0.257 0.000 1.365 2333 F CB 0.288 39.373 39.000 0.142 0.000 1.143 2333 F HN 0.453 nan 8.300 nan 0.000 0.601 2334 D N -0.996 119.776 120.400 0.620 0.000 2.423 2334 D HA 0.042 4.682 4.640 0.001 0.000 0.255 2334 D C -0.691 175.792 176.300 0.305 0.000 1.174 2334 D CA -0.388 53.860 54.000 0.413 0.000 1.008 2334 D CB 0.394 41.482 40.800 0.479 0.000 1.101 2334 D HN 0.419 nan 8.370 nan 0.000 0.516 2335 H N 0.585 119.742 119.070 0.144 0.000 3.145 2335 H HA 0.181 4.738 4.556 0.001 0.000 0.288 2335 H C 1.005 176.375 175.328 0.070 0.000 0.969 2335 H CA 0.397 56.499 56.048 0.091 0.000 1.444 2335 H CB 0.377 30.179 29.762 0.067 0.000 1.500 2335 H HN 0.365 nan 8.280 nan 0.000 0.552 2336 A N 4.040 126.751 122.820 -0.181 0.000 1.985 2336 A HA -0.328 3.992 4.320 0.001 0.000 0.223 2336 A C 2.018 179.421 177.584 -0.302 0.000 1.189 2336 A CA 2.295 54.199 52.037 -0.222 0.000 0.658 2336 A CB -0.618 18.270 19.000 -0.186 0.000 0.820 2336 A HN 0.879 nan 8.150 nan 0.000 0.464 2337 D N -2.166 117.871 120.400 -0.604 0.000 2.392 2337 D HA 0.030 4.671 4.640 0.001 0.000 0.228 2337 D C 1.907 178.129 176.300 -0.131 0.000 1.003 2337 D CA 0.685 54.475 54.000 -0.351 0.000 0.917 2337 D CB 0.038 40.618 40.800 -0.367 0.000 0.890 2337 D HN 0.472 nan 8.370 nan 0.000 0.532 2338 R N -1.113 119.340 120.500 -0.079 0.000 2.513 2338 R HA 0.091 4.431 4.340 0.001 0.000 0.245 2338 R C 0.446 176.765 176.300 0.032 0.000 0.908 2338 R CA 0.097 56.213 56.100 0.026 0.000 1.023 2338 R CB 0.823 31.190 30.300 0.112 0.000 1.338 2338 R HN 0.104 nan 8.270 nan 0.000 0.575 2339 T N -1.105 113.451 114.554 0.005 0.000 2.913 2339 T HA 0.073 4.424 4.350 0.001 0.000 0.297 2339 T C -0.029 174.690 174.700 0.031 0.000 1.029 2339 T CA -0.541 61.556 62.100 -0.006 0.000 1.104 2339 T CB 0.634 69.453 68.868 -0.081 0.000 0.964 2339 T HN 0.031 nan 8.240 nan 0.000 0.532 2340 F N 4.291 124.161 119.950 -0.133 0.000 2.571 2340 F HA 0.323 4.851 4.527 0.001 0.000 0.390 2340 F C 1.100 176.870 175.800 -0.050 0.000 1.043 2340 F CA 0.062 58.016 58.000 -0.077 0.000 1.164 2340 F CB -0.039 38.931 39.000 -0.050 0.000 1.049 2340 F HN 0.783 nan 8.300 nan 0.000 0.552 2341 S N 2.096 117.705 115.700 -0.150 0.000 2.648 2341 S HA 0.241 4.711 4.470 0.001 0.000 0.270 2341 S C 0.177 174.612 174.600 -0.275 0.000 1.080 2341 S CA 0.223 58.243 58.200 -0.300 0.000 1.159 2341 S CB -0.165 62.934 63.200 -0.167 0.000 1.091 2341 S HN 0.725 nan 8.310 nan 0.000 0.605 2342 S N 0.031 115.668 115.700 -0.105 0.000 2.546 2342 S HA 0.636 5.106 4.470 0.001 0.000 0.272 2342 S C 0.350 175.066 174.600 0.193 0.000 1.140 2342 S CA -0.795 57.383 58.200 -0.036 0.000 0.920 2342 S CB 0.988 64.178 63.200 -0.017 0.000 1.083 2342 S HN 0.250 nan 8.310 nan 0.000 0.476 2343 I N 3.013 123.642 120.570 0.098 0.000 2.286 2343 I HA -0.034 4.136 4.170 0.001 0.000 0.245 2343 I C 2.682 178.829 176.117 0.049 0.000 1.104 2343 I CA 1.035 62.454 61.300 0.198 0.000 1.397 2343 I CB -0.472 37.451 38.000 -0.128 0.000 1.072 2343 I HN 0.717 nan 8.210 nan 0.000 0.417 2344 S N 0.688 116.378 115.700 -0.016 0.000 2.359 2344 S HA -0.238 4.233 4.470 0.001 0.000 0.224 2344 S C 2.235 176.913 174.600 0.130 0.000 1.035 2344 S CA 1.672 59.917 58.200 0.074 0.000 1.018 2344 S CB -0.180 63.081 63.200 0.101 0.000 0.876 2344 S HN 0.249 nan 8.310 nan 0.000 0.448 2345 R N 0.517 121.078 120.500 0.103 0.000 2.073 2345 R HA 0.018 4.359 4.340 0.001 0.000 0.234 2345 R C 2.531 178.896 176.300 0.107 0.000 1.134 2345 R CA 1.458 57.610 56.100 0.086 0.000 0.952 2345 R CB -0.677 29.662 30.300 0.064 0.000 0.850 2345 R HN 0.473 nan 8.270 nan 0.000 0.433 2346 A N 0.582 123.537 122.820 0.225 0.000 1.883 2346 A HA -0.231 4.089 4.320 0.001 0.000 0.217 2346 A C 2.028 179.729 177.584 0.195 0.000 1.186 2346 A CA 1.468 53.672 52.037 0.279 0.000 0.624 2346 A CB -1.157 18.185 19.000 0.570 0.000 0.822 2346 A HN 0.727 nan 8.150 nan 0.000 0.444 2347 W N 0.778 122.053 121.300 -0.043 0.000 2.354 2347 W HA -0.187 4.473 4.660 0.001 0.000 0.315 2347 W C 2.184 178.540 176.519 -0.272 0.000 1.206 2347 W CA 1.762 58.833 57.345 -0.457 0.000 1.290 2347 W CB -0.390 28.739 29.460 -0.551 0.000 1.152 2347 W HN 0.313 nan 8.180 nan 0.000 0.489 2348 R N 0.286 120.636 120.500 -0.249 0.000 2.103 2348 R HA -0.209 4.131 4.340 0.001 0.000 0.242 2348 R C 2.136 178.243 176.300 -0.321 0.000 1.142 2348 R CA 1.895 57.817 56.100 -0.296 0.000 0.960 2348 R CB -0.696 29.571 30.300 -0.055 0.000 0.858 2348 R HN 0.228 nan 8.270 nan 0.000 0.439 2349 N N 0.102 118.675 118.700 -0.212 0.000 2.142 2349 N HA -0.120 4.620 4.740 0.001 0.000 0.186 2349 N C 1.653 177.022 175.510 -0.235 0.000 1.023 2349 N CA 1.737 54.683 53.050 -0.173 0.000 0.852 2349 N CB -0.062 38.370 38.487 -0.093 0.000 0.998 2349 N HN 0.235 nan 8.380 nan 0.000 0.424 2350 S N 0.067 115.572 115.700 -0.324 0.000 2.507 2350 S HA -0.016 4.455 4.470 0.001 0.000 0.235 2350 S C 1.602 175.928 174.600 -0.456 0.000 0.988 2350 S CA 0.673 58.669 58.200 -0.339 0.000 0.944 2350 S CB 0.139 63.124 63.200 -0.358 0.000 0.762 2350 S HN 0.238 nan 8.310 nan 0.000 0.526 2351 Q N 0.794 120.243 119.800 -0.584 0.000 2.304 2351 Q HA 0.223 4.564 4.340 0.001 0.000 0.204 2351 Q C 2.197 178.037 176.000 -0.267 0.000 0.936 2351 Q CA 0.637 56.132 55.803 -0.515 0.000 0.878 2351 Q CB 0.050 28.369 28.738 -0.699 0.000 0.983 2351 Q HN 0.653 nan 8.270 nan 0.000 0.516 2352 R N 0.417 120.777 120.500 -0.234 0.000 2.123 2352 R HA 0.057 4.398 4.340 0.001 0.000 0.209 2352 R C 0.535 176.743 176.300 -0.153 0.000 1.078 2352 R CA 0.094 56.094 56.100 -0.167 0.000 1.028 2352 R CB 0.041 30.256 30.300 -0.142 0.000 0.939 2352 R HN 0.040 nan 8.270 nan 0.000 0.463 2353 D N 1.035 121.358 120.400 -0.128 0.000 2.401 2353 D HA -0.044 4.596 4.640 0.001 0.000 0.254 2353 D C 0.663 176.920 176.300 -0.072 0.000 1.192 2353 D CA 0.597 54.535 54.000 -0.104 0.000 0.885 2353 D CB 1.488 42.248 40.800 -0.066 0.000 1.147 2353 D HN -0.110 nan 8.370 nan 0.000 0.478 2354 T N 2.032 116.484 114.554 -0.170 0.000 2.946 2354 T HA -0.110 4.240 4.350 0.001 0.000 0.271 2354 T C 1.338 176.131 174.700 0.156 0.000 1.104 2354 T CA 1.185 63.179 62.100 -0.177 0.000 1.114 2354 T CB 0.092 68.532 68.868 -0.713 0.000 0.867 2354 T HN 0.290 nan 8.240 nan 0.000 0.513 2355 S N 0.642 116.400 115.700 0.096 0.000 2.572 2355 S HA 0.180 4.650 4.470 0.001 0.000 0.228 2355 S C -0.187 174.499 174.600 0.142 0.000 0.963 2355 S CA -0.377 57.916 58.200 0.154 0.000 0.939 2355 S CB 0.221 63.491 63.200 0.116 0.000 0.804 2355 S HN 0.366 nan 8.310 nan 0.000 0.480 2356 D N 1.576 122.039 120.400 0.104 0.000 2.402 2356 D HA 0.324 4.965 4.640 0.001 0.000 0.252 2356 D C -0.624 175.682 176.300 0.011 0.000 1.294 2356 D CA -0.487 53.532 54.000 0.031 0.000 0.948 2356 D CB 0.590 41.362 40.800 -0.046 0.000 1.202 2356 D HN 0.122 nan 8.370 nan 0.000 0.561 2357 I N 0.978 121.558 120.570 0.016 0.000 3.326 2357 I HA 0.349 4.519 4.170 0.001 0.000 0.336 2357 I C 0.359 176.520 176.117 0.074 0.000 1.543 2357 I CA -1.033 60.243 61.300 -0.039 0.000 1.013 2357 I CB -0.019 37.807 38.000 -0.290 0.000 1.468 2357 I HN 0.074 nan 8.210 nan 0.000 0.515 2358 K N 1.905 122.347 120.400 0.071 0.000 2.436 2358 K HA 0.152 4.472 4.320 0.001 0.000 0.275 2358 K C -0.032 176.822 176.600 0.423 0.000 0.999 2358 K CA 0.096 56.462 56.287 0.131 0.000 0.980 2358 K CB 0.911 33.254 32.500 -0.262 0.000 0.919 2358 K HN 0.296 nan 8.250 nan 0.000 0.484 2359 E N 2.154 122.603 120.200 0.415 0.000 2.446 2359 E HA 0.221 4.572 4.350 0.001 0.000 0.251 2359 E C -0.087 176.544 176.600 0.052 0.000 1.087 2359 E CA -0.742 55.872 56.400 0.357 0.000 0.937 2359 E CB 0.705 30.592 29.700 0.311 0.000 1.254 2359 E HN 0.354 nan 8.360 nan 0.000 0.479 2360 L N 0.408 121.449 121.223 -0.303 0.000 2.657 2360 L HA 0.380 4.720 4.340 0.001 0.000 0.240 2360 L C -0.020 176.705 176.870 -0.241 0.000 1.151 2360 L CA -0.348 54.083 54.840 -0.681 0.000 0.831 2360 L CB 0.287 41.720 42.059 -1.044 0.000 1.539 2360 L HN 0.405 nan 8.230 nan 0.000 0.511 2361 I N -0.168 120.172 120.570 -0.383 0.000 2.689 2361 I HA 0.402 4.572 4.170 0.001 0.000 0.299 2361 I C -1.784 174.298 176.117 -0.057 0.000 1.059 2361 I CA -1.993 59.270 61.300 -0.062 0.000 1.055 2361 I CB 1.954 39.907 38.000 -0.079 0.000 1.243 2361 I HN 0.396 nan 8.210 nan 0.000 0.425 2362 P HA -0.178 nan 4.420 nan 0.000 0.216 2362 P C 0.877 178.218 177.300 0.068 0.000 1.153 2362 P CA 1.373 64.192 63.100 -0.468 0.000 0.858 2362 P CB 0.232 31.756 31.700 -0.294 0.000 0.789 2363 E N -1.734 118.429 120.200 -0.061 0.000 2.273 2363 E HA -0.191 4.159 4.350 0.001 0.000 0.198 2363 E C 1.552 177.959 176.600 -0.321 0.000 1.002 2363 E CA 0.885 56.950 56.400 -0.559 0.000 0.828 2363 E CB -0.997 28.459 29.700 -0.406 0.000 0.747 2363 E HN 0.257 nan 8.360 nan 0.000 0.491 2364 F N -0.957 118.839 119.950 -0.257 0.000 2.269 2364 F HA -0.143 4.384 4.527 0.001 0.000 0.301 2364 F C 0.905 176.483 175.800 -0.370 0.000 1.082 2364 F CA 1.026 58.866 58.000 -0.268 0.000 1.360 2364 F CB 0.034 38.722 39.000 -0.520 0.000 1.041 2364 F HN 0.102 nan 8.300 nan 0.000 0.512 2365 Y N -1.915 118.445 120.300 0.101 0.000 2.625 2365 Y HA 0.114 4.664 4.550 0.000 0.000 0.285 2365 Y C 0.311 176.318 175.900 0.178 0.000 1.168 2365 Y CA -0.308 57.879 58.100 0.145 0.000 1.250 2365 Y CB -0.552 38.094 38.460 0.311 0.000 1.130 2365 Y HN 0.259 nan 8.280 nan 0.000 0.526 2366 Y N -4.043 116.318 120.300 0.102 0.000 2.896 2366 Y HA 0.296 4.846 4.550 0.000 0.000 0.324 2366 Y C -1.258 174.660 175.900 0.029 0.000 0.908 2366 Y CA -1.062 57.051 58.100 0.022 0.000 1.020 2366 Y CB -0.138 38.284 38.460 -0.062 0.000 1.430 2366 Y HN -0.090 nan 8.280 nan 0.000 0.560 2367 L N 5.395 126.397 121.223 -0.367 0.000 2.435 2367 L HA 0.628 4.969 4.340 0.001 0.000 0.253 2367 L C -1.924 174.893 176.870 -0.089 0.000 1.087 2367 L CA -2.197 52.492 54.840 -0.252 0.000 0.950 2367 L CB 1.171 42.942 42.059 -0.480 0.000 1.304 2367 L HN -0.111 nan 8.230 nan 0.000 0.453 2368 P HA -0.154 nan 4.420 nan 0.000 0.222 2368 P C 0.616 177.998 177.300 0.138 0.000 1.147 2368 P CA 1.011 64.242 63.100 0.217 0.000 0.790 2368 P CB 0.511 32.293 31.700 0.136 0.000 0.780 2369 E N 0.591 120.783 120.200 -0.014 0.000 2.209 2369 E HA -0.168 4.182 4.350 0.001 0.000 0.196 2369 E C 2.161 178.687 176.600 -0.123 0.000 0.993 2369 E CA 1.316 57.679 56.400 -0.062 0.000 0.819 2369 E CB -1.174 28.479 29.700 -0.078 0.000 0.745 2369 E HN 0.465 nan 8.360 nan 0.000 0.477 2370 M N -1.615 117.814 119.600 -0.286 0.000 2.460 2370 M HA 0.027 4.507 4.480 0.001 0.000 0.263 2370 M C 0.905 176.906 176.300 -0.498 0.000 1.071 2370 M CA 1.412 56.458 55.300 -0.424 0.000 1.096 2370 M CB -0.171 32.052 32.600 -0.628 0.000 1.408 2370 M HN -0.033 nan 8.290 nan 0.000 0.463 2371 F N 0.723 120.624 119.950 -0.082 0.000 2.765 2371 F HA 0.310 4.837 4.527 0.000 0.000 0.302 2371 F C 0.254 175.960 175.800 -0.157 0.000 1.111 2371 F CA -0.445 57.465 58.000 -0.149 0.000 1.359 2371 F CB 0.282 39.179 39.000 -0.171 0.000 1.097 2371 F HN -0.130 nan 8.300 nan 0.000 0.577 2372 V N 0.916 120.836 119.914 0.011 0.000 2.417 2372 V HA 0.173 4.293 4.120 0.001 0.000 0.291 2372 V C 0.063 176.151 176.094 -0.009 0.000 1.024 2372 V CA -0.989 61.316 62.300 0.007 0.000 0.861 2372 V CB 1.519 33.371 31.823 0.049 0.000 0.985 2372 V HN 0.073 nan 8.190 nan 0.000 0.436 2373 N N 3.483 122.159 118.700 -0.039 0.000 3.254 2373 N HA 0.022 4.763 4.740 0.001 0.000 0.308 2373 N C 0.825 176.300 175.510 -0.058 0.000 1.281 2373 N CA -0.182 52.823 53.050 -0.075 0.000 1.212 2373 N CB -0.412 38.010 38.487 -0.109 0.000 1.478 2373 N HN 0.657 nan 8.380 nan 0.000 0.548 2374 F N 1.691 121.550 119.950 -0.151 0.000 2.202 2374 F HA -0.051 4.477 4.527 0.000 0.000 0.301 2374 F C 1.359 177.039 175.800 -0.200 0.000 1.082 2374 F CA 1.145 59.061 58.000 -0.141 0.000 1.313 2374 F CB 0.041 38.976 39.000 -0.108 0.000 1.024 2374 F HN 0.290 nan 8.300 nan 0.000 0.495 2375 N N 1.360 119.831 118.700 -0.381 0.000 2.501 2375 N HA -0.113 4.627 4.740 0.001 0.000 0.195 2375 N C -0.236 174.933 175.510 -0.567 0.000 1.213 2375 N CA 0.613 53.263 53.050 -0.667 0.000 0.864 2375 N CB -0.795 36.926 38.487 -1.278 0.000 0.999 2375 N HN 0.289 nan 8.380 nan 0.000 0.454 2376 N N 0.607 119.092 118.700 -0.357 0.000 2.707 2376 N HA -0.252 4.488 4.740 0.001 0.000 0.253 2376 N C -0.667 174.858 175.510 0.026 0.000 0.998 2376 N CA 0.768 53.719 53.050 -0.164 0.000 0.751 2376 N CB -1.722 36.673 38.487 -0.154 0.000 0.920 2376 N HN 0.539 nan 8.380 nan 0.000 0.539 2377 Y N -0.046 120.229 120.300 -0.041 0.000 2.314 2377 Y HA -0.014 4.536 4.550 0.001 0.000 0.334 2377 Y C 2.034 177.906 175.900 -0.048 0.000 1.266 2377 Y CA -0.821 57.286 58.100 0.012 0.000 1.391 2377 Y CB 0.627 39.133 38.460 0.076 0.000 1.306 2377 Y HN 0.040 nan 8.280 nan 0.000 0.558 2378 N N 0.880 119.687 118.700 0.178 0.000 2.004 2378 N HA -0.225 4.515 4.740 0.001 0.000 0.196 2378 N C 0.991 176.444 175.510 -0.095 0.000 1.064 2378 N CA 2.523 55.607 53.050 0.056 0.000 0.855 2378 N CB -0.276 38.283 38.487 0.119 0.000 1.056 2378 N HN 0.793 nan 8.380 nan 0.000 0.423 2379 L N -3.410 117.644 121.223 -0.282 0.000 4.549 2379 L HA -0.280 4.061 4.340 0.001 0.000 0.390 2379 L C 1.019 177.768 176.870 -0.202 0.000 0.767 2379 L CA 0.639 55.181 54.840 -0.497 0.000 2.397 2379 L CB -2.260 39.531 42.059 -0.447 0.000 1.175 2379 L HN 0.662 nan 8.230 nan 0.000 0.633 2380 G N -0.962 107.786 108.800 -0.086 0.000 2.660 2380 G HA2 -0.051 3.910 3.960 0.001 0.000 0.215 2380 G HA3 -0.051 3.910 3.960 0.001 0.000 0.215 2380 G C -0.695 174.170 174.900 -0.059 0.000 1.345 2380 G CA -0.337 44.742 45.100 -0.036 0.000 0.877 2380 G HN 0.603 nan 8.290 nan 0.000 0.549 2381 V N 0.432 120.320 119.914 -0.043 0.000 2.686 2381 V HA 0.611 4.731 4.120 0.001 0.000 0.306 2381 V C 0.758 176.812 176.094 -0.068 0.000 1.065 2381 V CA -0.559 61.710 62.300 -0.052 0.000 0.894 2381 V CB 1.706 33.513 31.823 -0.027 0.000 1.004 2381 V HN 0.868 nan 8.190 nan 0.000 0.424 2382 M N 1.978 121.523 119.600 -0.092 0.000 2.167 2382 M HA 0.189 4.669 4.480 0.001 0.000 0.300 2382 M C 0.975 177.242 176.300 -0.055 0.000 1.171 2382 M CA -0.125 55.104 55.300 -0.118 0.000 1.171 2382 M CB 0.274 32.809 32.600 -0.108 0.000 1.396 2382 M HN 0.627 nan 8.290 nan 0.000 0.466 2383 D N 0.758 121.137 120.400 -0.034 0.000 2.218 2383 D HA -0.151 4.490 4.640 0.001 0.000 0.204 2383 D C 1.085 177.388 176.300 0.005 0.000 0.976 2383 D CA 1.248 55.259 54.000 0.019 0.000 0.853 2383 D CB -0.368 40.465 40.800 0.057 0.000 0.939 2383 D HN 0.597 nan 8.370 nan 0.000 0.481 2384 D N -0.928 119.465 120.400 -0.011 0.000 2.328 2384 D HA 0.096 4.737 4.640 0.001 0.000 0.226 2384 D C 1.492 177.783 176.300 -0.015 0.000 1.066 2384 D CA 0.678 54.672 54.000 -0.010 0.000 0.861 2384 D CB -0.095 40.696 40.800 -0.014 0.000 0.912 2384 D HN 0.222 nan 8.370 nan 0.000 0.521 2385 G N -0.203 108.586 108.800 -0.018 0.000 2.175 2385 G HA2 -0.259 3.701 3.960 0.001 0.000 0.244 2385 G HA3 -0.259 3.701 3.960 0.001 0.000 0.244 2385 G C 0.357 175.238 174.900 -0.032 0.000 0.982 2385 G CA 0.217 45.305 45.100 -0.021 0.000 0.641 2385 G HN 0.428 nan 8.290 nan 0.000 0.527 2386 T N 1.543 116.072 114.554 -0.042 0.000 2.817 2386 T HA 0.427 4.777 4.350 0.001 0.000 0.295 2386 T C 0.730 175.391 174.700 -0.064 0.000 0.958 2386 T CA 0.003 62.071 62.100 -0.054 0.000 1.157 2386 T CB 2.085 70.917 68.868 -0.061 0.000 0.898 2386 T HN 0.398 nan 8.240 nan 0.000 0.536 2387 V N 4.907 124.782 119.914 -0.064 0.000 2.583 2387 V HA 0.164 4.284 4.120 0.001 0.000 0.287 2387 V C 0.418 176.455 176.094 -0.096 0.000 1.051 2387 V CA -0.540 61.717 62.300 -0.072 0.000 1.010 2387 V CB 1.366 33.153 31.823 -0.060 0.000 0.988 2387 V HN 0.666 nan 8.190 nan 0.000 0.478 2388 V N 5.084 124.930 119.914 -0.114 0.000 2.406 2388 V HA 0.522 4.642 4.120 0.001 0.000 0.272 2388 V C 0.425 176.426 176.094 -0.155 0.000 1.043 2388 V CA 0.598 62.809 62.300 -0.149 0.000 0.915 2388 V CB 0.944 32.661 31.823 -0.177 0.000 0.988 2388 V HN 1.050 nan 8.190 nan 0.000 0.466 2389 S N 2.660 118.265 115.700 -0.159 0.000 3.972 2389 S HA 0.250 4.721 4.470 0.001 0.000 0.190 2389 S C -0.556 173.948 174.600 -0.159 0.000 1.204 2389 S CA -0.382 57.732 58.200 -0.143 0.000 1.285 2389 S CB 0.375 63.510 63.200 -0.109 0.000 1.849 2389 S HN 0.722 nan 8.310 nan 0.000 0.762 2390 D N 2.024 122.344 120.400 -0.134 0.000 2.382 2390 D HA 0.262 4.903 4.640 0.001 0.000 0.240 2390 D C -0.226 175.954 176.300 -0.199 0.000 1.146 2390 D CA 0.179 54.097 54.000 -0.136 0.000 0.897 2390 D CB 0.698 41.439 40.800 -0.099 0.000 1.197 2390 D HN 0.227 nan 8.370 nan 0.000 0.432 2391 V N 1.749 121.522 119.914 -0.236 0.000 2.637 2391 V HA -0.052 4.068 4.120 0.001 0.000 0.296 2391 V C 0.805 176.725 176.094 -0.290 0.000 1.046 2391 V CA 0.021 62.109 62.300 -0.352 0.000 1.066 2391 V CB 0.451 32.030 31.823 -0.407 0.000 0.968 2391 V HN 0.369 nan 8.190 nan 0.000 0.483 2392 E N 4.830 124.866 120.200 -0.273 0.000 2.238 2392 E HA 0.199 4.549 4.350 0.001 0.000 0.264 2392 E C -0.532 175.875 176.600 -0.323 0.000 1.136 2392 E CA -0.045 56.210 56.400 -0.241 0.000 0.929 2392 E CB 0.332 29.928 29.700 -0.174 0.000 1.010 2392 E HN 0.451 nan 8.360 nan 0.000 0.440 2393 L N 5.010 125.997 121.223 -0.393 0.000 2.421 2393 L HA 0.381 4.721 4.340 0.001 0.000 0.263 2393 L C -1.922 174.652 176.870 -0.493 0.000 1.122 2393 L CA -2.262 52.224 54.840 -0.589 0.000 0.804 2393 L CB 0.042 41.730 42.059 -0.619 0.000 1.150 2393 L HN 0.308 nan 8.230 nan 0.000 0.457 2394 P HA 0.141 nan 4.420 nan 0.000 0.272 2394 P C -2.212 174.739 177.300 -0.580 0.000 1.240 2394 P CA -1.160 61.557 63.100 -0.639 0.000 0.791 2394 P CB 0.037 31.033 31.700 -1.172 0.000 0.978 2395 P HA -0.124 nan 4.420 nan 0.000 0.218 2395 P C 0.920 178.169 177.300 -0.086 0.000 1.148 2395 P CA 1.314 64.314 63.100 -0.166 0.000 0.822 2395 P CB -0.382 31.289 31.700 -0.049 0.000 0.784 2396 W N -1.322 119.971 121.300 -0.011 0.000 3.077 2396 W HA 0.467 5.127 4.660 0.000 0.000 0.245 2396 W C -0.393 176.135 176.519 0.015 0.000 1.316 2396 W CA -0.125 57.215 57.345 -0.008 0.000 1.537 2396 W CB -0.583 28.859 29.460 -0.030 0.000 1.131 2396 W HN -0.095 nan 8.180 nan 0.000 0.695 2397 A N 1.558 124.336 122.820 -0.070 0.000 2.410 2397 A HA 0.452 4.772 4.320 0.001 0.000 0.289 2397 A C 0.530 178.061 177.584 -0.089 0.000 1.200 2397 A CA -0.683 51.352 52.037 -0.002 0.000 0.751 2397 A CB 1.168 20.084 19.000 -0.140 0.000 1.161 2397 A HN 0.003 nan 8.150 nan 0.000 0.459 2398 K N 0.484 120.878 120.400 -0.010 0.000 2.167 2398 K HA 0.053 4.373 4.320 0.001 0.000 0.203 2398 K C 1.093 177.661 176.600 -0.052 0.000 1.052 2398 K CA 1.785 58.050 56.287 -0.038 0.000 0.956 2398 K CB 0.111 32.607 32.500 -0.006 0.000 0.735 2398 K HN 0.823 nan 8.250 nan 0.000 0.451 2399 T N -3.467 111.073 114.554 -0.023 0.000 2.907 2399 T HA 0.270 4.620 4.350 0.001 0.000 0.290 2399 T C 1.155 175.849 174.700 -0.009 0.000 1.066 2399 T CA -0.365 61.722 62.100 -0.022 0.000 1.012 2399 T CB 1.603 70.473 68.868 0.003 0.000 1.184 2399 T HN 0.004 nan 8.240 nan 0.000 0.522 2400 S N 0.295 115.995 115.700 -0.001 0.000 2.383 2400 S HA -0.128 4.342 4.470 0.001 0.000 0.227 2400 S C 1.580 176.242 174.600 0.102 0.000 1.026 2400 S CA 1.168 59.394 58.200 0.044 0.000 0.981 2400 S CB -0.799 62.473 63.200 0.119 0.000 0.818 2400 S HN 0.783 nan 8.310 nan 0.000 0.472 2401 E N 1.436 121.681 120.200 0.075 0.000 2.110 2401 E HA -0.074 4.276 4.350 0.001 0.000 0.193 2401 E C 2.096 178.760 176.600 0.107 0.000 0.988 2401 E CA 1.334 57.779 56.400 0.075 0.000 0.804 2401 E CB -0.234 29.488 29.700 0.036 0.000 0.745 2401 E HN 0.746 nan 8.360 nan 0.000 0.458 2402 E N -0.740 119.527 120.200 0.112 0.000 2.152 2402 E HA -0.152 4.199 4.350 0.001 0.000 0.192 2402 E C 1.586 178.330 176.600 0.240 0.000 0.983 2402 E CA 0.497 56.999 56.400 0.170 0.000 0.818 2402 E CB -0.053 29.730 29.700 0.139 0.000 0.758 2402 E HN 0.220 nan 8.360 nan 0.000 0.467 2403 F N 0.400 120.352 119.950 0.004 0.000 2.146 2403 F HA -0.161 4.366 4.527 0.000 0.000 0.298 2403 F C 1.896 177.678 175.800 -0.029 0.000 1.096 2403 F CA 1.014 58.983 58.000 -0.052 0.000 1.275 2403 F CB -0.389 38.389 39.000 -0.371 0.000 1.008 2403 F HN -0.152 nan 8.300 nan 0.000 0.480 2404 V N -0.149 119.669 119.914 -0.161 0.000 2.379 2404 V HA -0.284 3.836 4.120 0.001 0.000 0.245 2404 V C 2.357 178.404 176.094 -0.079 0.000 1.044 2404 V CA 2.197 64.364 62.300 -0.221 0.000 1.036 2404 V CB -0.993 30.815 31.823 -0.026 0.000 0.664 2404 V HN 0.496 nan 8.190 nan 0.000 0.453 2405 H N 0.216 119.262 119.070 -0.040 0.000 2.352 2405 H HA -0.125 4.432 4.556 0.001 0.000 0.299 2405 H C 2.023 177.348 175.328 -0.005 0.000 1.097 2405 H CA 2.171 58.219 56.048 0.001 0.000 1.311 2405 H CB -0.145 29.631 29.762 0.023 0.000 1.377 2405 H HN 0.385 nan 8.280 nan 0.000 0.504 2406 I N -0.045 120.470 120.570 -0.091 0.000 2.353 2406 I HA -0.223 3.948 4.170 0.001 0.000 0.248 2406 I C 1.978 177.969 176.117 -0.211 0.000 1.119 2406 I CA 0.688 61.885 61.300 -0.173 0.000 1.417 2406 I CB -0.307 37.674 38.000 -0.032 0.000 1.078 2406 I HN 0.346 nan 8.210 nan 0.000 0.421 2407 N N 1.057 119.610 118.700 -0.245 0.000 2.069 2407 N HA -0.228 4.512 4.740 0.001 0.000 0.191 2407 N C 1.972 177.513 175.510 0.051 0.000 1.031 2407 N CA 1.334 54.224 53.050 -0.267 0.000 0.852 2407 N CB -0.344 37.752 38.487 -0.651 0.000 1.018 2407 N HN 0.203 nan 8.380 nan 0.000 0.423 2408 R N 1.397 121.940 120.500 0.072 0.000 2.073 2408 R HA 0.076 4.416 4.340 0.001 0.000 0.234 2408 R C 2.316 178.663 176.300 0.079 0.000 1.134 2408 R CA 0.918 57.139 56.100 0.201 0.000 0.952 2408 R CB -0.847 29.512 30.300 0.100 0.000 0.850 2408 R HN 0.212 nan 8.270 nan 0.000 0.433 2409 L N -0.134 121.032 121.223 -0.096 0.000 2.013 2409 L HA -0.223 4.118 4.340 0.001 0.000 0.212 2409 L C 2.482 179.378 176.870 0.043 0.000 1.073 2409 L CA 1.609 56.401 54.840 -0.079 0.000 0.753 2409 L CB -0.797 41.150 42.059 -0.186 0.000 0.890 2409 L HN 0.351 nan 8.230 nan 0.000 0.432 2410 A N 0.147 122.989 122.820 0.036 0.000 1.859 2410 A HA -0.282 4.039 4.320 0.001 0.000 0.217 2410 A C 2.219 179.955 177.584 0.255 0.000 1.198 2410 A CA 2.101 54.220 52.037 0.138 0.000 0.629 2410 A CB -0.961 18.013 19.000 -0.043 0.000 0.830 2410 A HN 0.338 nan 8.150 nan 0.000 0.446 2411 L N -0.294 121.081 121.223 0.254 0.000 2.043 2411 L HA -0.181 4.160 4.340 0.001 0.000 0.212 2411 L C 1.780 178.748 176.870 0.164 0.000 1.075 2411 L CA 2.441 57.398 54.840 0.195 0.000 0.752 2411 L CB -0.508 41.621 42.059 0.117 0.000 0.891 2411 L HN 0.393 nan 8.230 nan 0.000 0.432 2412 E N -0.022 120.274 120.200 0.159 0.000 2.489 2412 E HA 0.071 4.421 4.350 0.001 0.000 0.193 2412 E C 1.078 177.741 176.600 0.105 0.000 1.057 2412 E CA 0.586 57.065 56.400 0.132 0.000 0.866 2412 E CB -0.457 29.309 29.700 0.111 0.000 0.916 2412 E HN 0.677 nan 8.360 nan 0.000 0.500 2413 S N 0.567 116.351 115.700 0.140 0.000 2.589 2413 S HA 0.048 4.518 4.470 0.001 0.000 0.265 2413 S C 1.205 175.834 174.600 0.048 0.000 1.342 2413 S CA -0.418 57.858 58.200 0.127 0.000 1.005 2413 S CB 1.558 64.918 63.200 0.266 0.000 0.909 2413 S HN -0.152 nan 8.310 nan 0.000 0.555 2414 E N 0.652 120.815 120.200 -0.061 0.000 2.204 2414 E HA 0.004 4.354 4.350 0.001 0.000 0.194 2414 E C 1.230 177.680 176.600 -0.249 0.000 0.989 2414 E CA 1.109 57.396 56.400 -0.189 0.000 0.824 2414 E CB -0.555 28.963 29.700 -0.302 0.000 0.756 2414 E HN 0.754 nan 8.360 nan 0.000 0.477 2415 F N -0.740 119.049 119.950 -0.268 0.000 2.161 2415 F HA -0.191 4.336 4.527 0.000 0.000 0.300 2415 F C 2.263 177.948 175.800 -0.192 0.000 1.089 2415 F CA 1.017 58.769 58.000 -0.414 0.000 1.282 2415 F CB -0.505 37.800 39.000 -1.159 0.000 1.010 2415 F HN -0.041 nan 8.300 nan 0.000 0.485 2416 V N -1.494 118.485 119.914 0.109 0.000 2.346 2416 V HA -0.201 3.920 4.120 0.001 0.000 0.244 2416 V C 2.276 178.452 176.094 0.137 0.000 1.037 2416 V CA 1.845 64.233 62.300 0.146 0.000 1.029 2416 V CB -0.781 31.145 31.823 0.172 0.000 0.663 2416 V HN 0.232 nan 8.190 nan 0.000 0.454 2417 S N 0.453 116.209 115.700 0.094 0.000 2.387 2417 S HA -0.263 4.207 4.470 0.001 0.000 0.230 2417 S C 2.003 176.641 174.600 0.065 0.000 1.035 2417 S CA 1.892 60.136 58.200 0.073 0.000 1.014 2417 S CB -0.633 62.532 63.200 -0.060 0.000 0.836 2417 S HN 0.886 nan 8.310 nan 0.000 0.466 2418 C N 0.251 119.566 119.300 0.024 0.000 2.500 2418 C HA 0.218 4.678 4.460 0.001 0.000 0.273 2418 C C 1.628 176.755 174.990 0.228 0.000 1.428 2418 C CA -0.070 58.975 59.018 0.044 0.000 1.766 2418 C CB -0.730 26.981 27.740 -0.047 0.000 1.817 2418 C HN 0.341 nan 8.230 nan 0.000 0.543 2419 Q N -0.470 119.483 119.800 0.255 0.000 2.126 2419 Q HA 0.232 4.572 4.340 0.001 0.000 0.233 2419 Q C 1.572 177.678 176.000 0.177 0.000 0.788 2419 Q CA -0.125 55.819 55.803 0.236 0.000 0.968 2419 Q CB -0.206 28.605 28.738 0.122 0.000 1.163 2419 Q HN 0.543 nan 8.270 nan 0.000 0.471 2420 L N 2.741 124.146 121.223 0.303 0.000 2.197 2420 L HA -0.196 4.144 4.340 0.001 0.000 0.215 2420 L C 2.308 179.334 176.870 0.260 0.000 1.095 2420 L CA 2.044 57.044 54.840 0.267 0.000 0.764 2420 L CB -0.456 41.797 42.059 0.322 0.000 0.897 2420 L HN 0.357 nan 8.230 nan 0.000 0.436 2421 H N -1.457 117.756 119.070 0.239 0.000 2.457 2421 H HA -0.093 4.464 4.556 0.000 0.000 0.294 2421 H C 1.607 177.043 175.328 0.180 0.000 1.064 2421 H CA 1.345 57.480 56.048 0.145 0.000 1.330 2421 H CB -0.584 29.382 29.762 0.341 0.000 1.395 2421 H HN 0.564 nan 8.280 nan 0.000 0.541 2422 Q N -0.529 119.026 119.800 -0.408 0.000 2.311 2422 Q HA -0.083 4.258 4.340 0.001 0.000 0.203 2422 Q C 1.798 177.797 176.000 -0.001 0.000 0.954 2422 Q CA 0.855 56.535 55.803 -0.205 0.000 0.885 2422 Q CB -0.067 28.530 28.738 -0.236 0.000 0.963 2422 Q HN 0.529 nan 8.270 nan 0.000 0.471 2423 W N 1.403 122.628 121.300 -0.126 0.000 2.441 2423 W HA -0.019 4.642 4.660 0.001 0.000 0.302 2423 W C 1.622 178.060 176.519 -0.135 0.000 1.191 2423 W CA 0.819 58.092 57.345 -0.119 0.000 1.327 2423 W CB -0.141 29.260 29.460 -0.099 0.000 1.128 2423 W HN -0.066 nan 8.180 nan 0.000 0.522 2424 I N 1.038 121.674 120.570 0.108 0.000 2.248 2424 I HA -0.366 3.805 4.170 0.001 0.000 0.248 2424 I C 1.911 177.989 176.117 -0.065 0.000 1.107 2424 I CA 1.810 63.117 61.300 0.011 0.000 1.373 2424 I CB -0.628 37.364 38.000 -0.012 0.000 1.055 2424 I HN -0.030 nan 8.210 nan 0.000 0.418 2425 D N 0.761 121.154 120.400 -0.012 0.000 2.178 2425 D HA -0.131 4.509 4.640 0.001 0.000 0.201 2425 D C 2.320 178.502 176.300 -0.196 0.000 0.980 2425 D CA 1.250 55.248 54.000 -0.003 0.000 0.842 2425 D CB -0.147 40.686 40.800 0.055 0.000 0.948 2425 D HN 0.364 nan 8.370 nan 0.000 0.472 2426 L N 0.313 121.349 121.223 -0.311 0.000 2.044 2426 L HA -0.102 4.238 4.340 0.001 0.000 0.205 2426 L C 2.336 178.911 176.870 -0.490 0.000 1.075 2426 L CA 0.558 55.173 54.840 -0.375 0.000 0.747 2426 L CB -0.172 41.633 42.059 -0.425 0.000 0.903 2426 L HN -0.004 nan 8.230 nan 0.000 0.435 2427 I N -0.864 119.203 120.570 -0.839 0.000 2.235 2427 I HA -0.165 4.005 4.170 0.001 0.000 0.241 2427 I C 2.002 177.584 176.117 -0.891 0.000 1.085 2427 I CA 1.999 62.622 61.300 -1.129 0.000 1.378 2427 I CB -0.940 35.875 38.000 -1.975 0.000 1.076 2427 I HN 0.160 nan 8.210 nan 0.000 0.415 2428 F N 0.009 119.771 119.950 -0.313 0.000 2.746 2428 F HA 0.421 4.948 4.527 0.000 0.000 0.313 2428 F C 1.716 177.412 175.800 -0.172 0.000 1.095 2428 F CA -0.154 57.713 58.000 -0.223 0.000 1.224 2428 F CB -0.642 38.200 39.000 -0.263 0.000 1.060 2428 F HN -0.072 nan 8.300 nan 0.000 0.584 2429 G N 0.038 108.853 108.800 0.025 0.000 2.489 2429 G HA2 0.014 3.975 3.960 0.001 0.000 0.271 2429 G HA3 0.014 3.975 3.960 0.001 0.000 0.271 2429 G C 0.574 175.523 174.900 0.081 0.000 1.427 2429 G CA 0.014 45.158 45.100 0.073 0.000 1.057 2429 G HN 0.441 nan 8.290 nan 0.000 0.532 2430 Y N -1.343 118.956 120.300 -0.001 0.000 2.571 2430 Y HA 0.238 4.789 4.550 0.000 0.000 0.294 2430 Y C 1.991 177.894 175.900 0.004 0.000 1.141 2430 Y CA 1.046 59.148 58.100 0.004 0.000 1.308 2430 Y CB 0.112 38.583 38.460 0.019 0.000 1.002 2430 Y HN 0.221 nan 8.280 nan 0.000 0.551 2431 K N 0.732 120.834 120.400 -0.497 0.000 2.417 2431 K HA 0.008 4.328 4.320 0.001 0.000 0.196 2431 K C 1.632 178.124 176.600 -0.179 0.000 1.023 2431 K CA 0.107 56.121 56.287 -0.456 0.000 1.122 2431 K CB 0.114 32.291 32.500 -0.539 0.000 0.850 2431 K HN 0.484 nan 8.250 nan 0.000 0.521 2432 Q N 0.851 120.593 119.800 -0.097 0.000 2.172 2432 Q HA -0.067 4.273 4.340 0.001 0.000 0.200 2432 Q C 0.139 176.173 176.000 0.056 0.000 0.964 2432 Q CA 1.194 57.005 55.803 0.012 0.000 0.855 2432 Q CB 0.480 29.236 28.738 0.031 0.000 0.918 2432 Q HN 0.327 nan 8.270 nan 0.000 0.444 2433 Q N -2.284 117.501 119.800 -0.024 0.000 2.605 2433 Q HA 0.514 4.855 4.340 0.001 0.000 0.296 2433 Q C -0.335 175.631 176.000 -0.057 0.000 1.056 2433 Q CA -0.355 55.394 55.803 -0.089 0.000 0.778 2433 Q CB 2.009 30.655 28.738 -0.153 0.000 1.497 2433 Q HN 0.336 nan 8.270 nan 0.000 0.443 2434 G N 0.547 109.307 108.800 -0.067 0.000 2.692 2434 G HA2 -0.247 3.713 3.960 0.001 0.000 0.248 2434 G HA3 -0.247 3.713 3.960 0.001 0.000 0.248 2434 G C -2.013 172.884 174.900 -0.005 0.000 1.340 2434 G CA -0.261 44.825 45.100 -0.024 0.000 0.896 2434 G HN 0.522 nan 8.290 nan 0.000 0.570 2435 P HA -0.143 nan 4.420 nan 0.000 0.220 2435 P C 1.586 178.885 177.300 -0.002 0.000 1.155 2435 P CA 2.147 65.257 63.100 0.015 0.000 0.880 2435 P CB 0.033 31.750 31.700 0.029 0.000 0.790 2436 E N -0.901 119.295 120.200 -0.005 0.000 2.204 2436 E HA -0.096 4.254 4.350 0.001 0.000 0.194 2436 E C 1.934 178.475 176.600 -0.098 0.000 0.989 2436 E CA 1.229 57.598 56.400 -0.051 0.000 0.824 2436 E CB -0.944 28.708 29.700 -0.080 0.000 0.756 2436 E HN 0.111 nan 8.360 nan 0.000 0.477 2437 A N 0.047 122.827 122.820 -0.067 0.000 1.929 2437 A HA -0.083 4.238 4.320 0.001 0.000 0.216 2437 A C 2.396 179.960 177.584 -0.034 0.000 1.176 2437 A CA 1.486 53.499 52.037 -0.041 0.000 0.628 2437 A CB -0.824 18.181 19.000 0.008 0.000 0.816 2437 A HN 0.287 nan 8.150 nan 0.000 0.444 2438 V N -1.156 118.732 119.914 -0.043 0.000 2.427 2438 V HA -0.172 3.949 4.120 0.001 0.000 0.248 2438 V C 2.310 178.332 176.094 -0.120 0.000 1.051 2438 V CA 2.240 64.474 62.300 -0.110 0.000 1.048 2438 V CB -0.978 30.759 31.823 -0.143 0.000 0.666 2438 V HN 0.566 nan 8.190 nan 0.000 0.456 2439 R N 1.184 121.635 120.500 -0.081 0.000 2.096 2439 R HA 0.006 4.346 4.340 0.001 0.000 0.235 2439 R C 2.066 178.311 176.300 -0.092 0.000 1.127 2439 R CA 1.722 57.780 56.100 -0.070 0.000 0.968 2439 R CB -0.587 29.690 30.300 -0.038 0.000 0.861 2439 R HN 0.595 nan 8.270 nan 0.000 0.440 2440 A N 0.406 123.161 122.820 -0.109 0.000 2.251 2440 A HA 0.188 4.508 4.320 0.001 0.000 0.209 2440 A C 0.850 178.334 177.584 -0.167 0.000 1.187 2440 A CA 0.144 52.113 52.037 -0.113 0.000 0.823 2440 A CB 0.040 18.974 19.000 -0.110 0.000 0.846 2440 A HN 0.484 nan 8.150 nan 0.000 0.486 2441 L N -1.155 119.882 121.223 -0.310 0.000 3.512 2441 L HA -0.200 4.141 4.340 0.001 0.000 0.446 2441 L C 0.271 176.876 176.870 -0.442 0.000 1.290 2441 L CA 0.555 54.960 54.840 -0.725 0.000 0.871 2441 L CB -1.634 40.161 42.059 -0.440 0.000 1.767 2441 L HN 0.600 nan 8.230 nan 0.000 0.855 2442 N N -0.872 117.725 118.700 -0.172 0.000 2.291 2442 N HA 0.245 4.985 4.740 0.001 0.000 0.244 2442 N C -0.324 175.366 175.510 0.300 0.000 1.216 2442 N CA -0.003 53.124 53.050 0.129 0.000 0.879 2442 N CB 0.762 39.311 38.487 0.103 0.000 1.167 2442 N HN 0.141 nan 8.380 nan 0.000 0.515 2443 V N 2.111 122.204 119.914 0.298 0.000 2.432 2443 V HA 0.376 4.497 4.120 0.001 0.000 0.271 2443 V C -0.066 176.175 176.094 0.245 0.000 1.046 2443 V CA -0.294 62.227 62.300 0.367 0.000 0.945 2443 V CB -0.067 31.932 31.823 0.293 0.000 0.992 2443 V HN 0.015 nan 8.190 nan 0.000 0.471 2444 F N 2.681 122.930 119.950 0.499 0.000 2.461 2444 F HA 0.472 5.000 4.527 0.001 0.000 0.332 2444 F C 0.166 176.134 175.800 0.280 0.000 1.073 2444 F CA -1.072 57.140 58.000 0.353 0.000 1.017 2444 F CB 0.557 39.629 39.000 0.119 0.000 1.301 2444 F HN 0.398 nan 8.300 nan 0.000 0.492 2445 Y N 1.912 122.207 120.300 -0.008 0.000 2.810 2445 Y HA -0.145 4.405 4.550 0.001 0.000 0.332 2445 Y C 1.321 177.176 175.900 -0.076 0.000 1.243 2445 Y CA -0.598 57.260 58.100 -0.403 0.000 1.537 2445 Y CB -0.149 37.862 38.460 -0.747 0.000 1.265 2445 Y HN 0.547 nan 8.280 nan 0.000 0.572 2446 Y N 3.379 123.403 120.300 -0.460 0.000 2.298 2446 Y HA -0.208 4.342 4.550 0.001 0.000 0.287 2446 Y C 1.526 177.351 175.900 -0.124 0.000 1.164 2446 Y CA 1.432 59.447 58.100 -0.142 0.000 1.229 2446 Y CB -0.508 37.806 38.460 -0.245 0.000 0.977 2446 Y HN 0.539 nan 8.280 nan 0.000 0.538 2447 L N 0.537 121.021 121.223 -1.232 0.000 2.551 2447 L HA -0.061 4.279 4.340 0.001 0.000 0.228 2447 L C 2.069 178.752 176.870 -0.310 0.000 1.153 2447 L CA 1.587 55.969 54.840 -0.762 0.000 0.851 2447 L CB -0.658 41.120 42.059 -0.469 0.000 0.959 2447 L HN 0.354 nan 8.230 nan 0.000 0.451 2448 T N -1.315 113.066 114.554 -0.288 0.000 3.023 2448 T HA -0.010 4.340 4.350 0.001 0.000 0.266 2448 T C 0.023 174.444 174.700 -0.464 0.000 1.093 2448 T CA 0.430 62.302 62.100 -0.379 0.000 1.129 2448 T CB -0.197 68.431 68.868 -0.400 0.000 0.899 2448 T HN 0.102 nan 8.240 nan 0.000 0.491 2449 Y N 2.760 123.011 120.300 -0.082 0.000 2.301 2449 Y HA 0.285 4.835 4.550 0.001 0.000 0.325 2449 Y C 0.759 176.631 175.900 -0.047 0.000 1.203 2449 Y CA -1.724 56.350 58.100 -0.043 0.000 1.255 2449 Y CB 0.335 38.798 38.460 0.005 0.000 1.232 2449 Y HN 0.183 nan 8.280 nan 0.000 0.501 2450 E N 0.845 121.112 120.200 0.112 0.000 2.502 2450 E HA 0.198 4.549 4.350 0.001 0.000 0.261 2450 E C 0.929 177.572 176.600 0.072 0.000 0.974 2450 E CA 0.660 57.095 56.400 0.058 0.000 0.936 2450 E CB 0.256 29.989 29.700 0.055 0.000 0.926 2450 E HN 0.940 nan 8.360 nan 0.000 0.459 2451 G N 2.315 111.142 108.800 0.044 0.000 2.179 2451 G HA2 -0.391 3.569 3.960 0.001 0.000 0.260 2451 G HA3 -0.391 3.569 3.960 0.001 0.000 0.260 2451 G C 0.949 175.882 174.900 0.055 0.000 0.977 2451 G CA 0.547 45.675 45.100 0.047 0.000 0.641 2451 G HN 0.921 nan 8.290 nan 0.000 0.533 2452 A N -0.876 121.975 122.820 0.052 0.000 1.902 2452 A HA 0.429 4.749 4.320 0.001 0.000 0.217 2452 A C 1.491 179.107 177.584 0.053 0.000 1.181 2452 A CA 2.789 54.862 52.037 0.061 0.000 0.623 2452 A CB -0.337 18.642 19.000 -0.035 0.000 0.818 2452 A HN 2.058 nan 8.150 nan 0.000 0.443 2453 V N -3.260 116.664 119.914 0.017 0.000 2.932 2453 V HA 0.461 4.581 4.120 0.001 0.000 0.307 2453 V C -0.887 175.214 176.094 0.012 0.000 1.147 2453 V CA -0.901 61.411 62.300 0.021 0.000 0.951 2453 V CB 1.525 33.352 31.823 0.007 0.000 1.031 2453 V HN 0.358 nan 8.190 nan 0.000 0.426 2454 N N 3.079 121.791 118.700 0.021 0.000 2.462 2454 N HA 0.434 5.175 4.740 0.001 0.000 0.242 2454 N C 0.677 176.196 175.510 0.015 0.000 1.010 2454 N CA -0.704 52.358 53.050 0.019 0.000 0.939 2454 N CB 1.279 39.781 38.487 0.025 0.000 1.127 2454 N HN 0.839 nan 8.380 nan 0.000 0.509 2455 L N 2.970 124.197 121.223 0.007 0.000 2.046 2455 L HA -0.149 4.191 4.340 0.001 0.000 0.208 2455 L C 1.767 178.647 176.870 0.016 0.000 1.077 2455 L CA 0.795 55.638 54.840 0.005 0.000 0.747 2455 L CB -0.361 41.693 42.059 -0.008 0.000 0.896 2455 L HN 0.636 nan 8.230 nan 0.000 0.432 2456 N N -0.508 118.206 118.700 0.024 0.000 2.585 2456 N HA -0.159 4.582 4.740 0.001 0.000 0.188 2456 N C 1.957 177.481 175.510 0.024 0.000 1.102 2456 N CA 1.178 54.245 53.050 0.028 0.000 0.920 2456 N CB -0.078 38.428 38.487 0.033 0.000 0.963 2456 N HN 0.220 nan 8.380 nan 0.000 0.447 2457 S N -0.027 115.686 115.700 0.022 0.000 2.489 2457 S HA 0.056 4.526 4.470 0.001 0.000 0.228 2457 S C 0.663 175.276 174.600 0.021 0.000 0.995 2457 S CA -0.039 58.174 58.200 0.022 0.000 0.934 2457 S CB 0.070 63.284 63.200 0.024 0.000 0.771 2457 S HN 0.044 nan 8.310 nan 0.000 0.522 2458 I N 3.885 124.467 120.570 0.019 0.000 2.281 2458 I HA 0.157 4.328 4.170 0.001 0.000 0.293 2458 I C 1.596 177.723 176.117 0.017 0.000 1.085 2458 I CA 0.066 61.377 61.300 0.017 0.000 1.257 2458 I CB -0.069 37.939 38.000 0.014 0.000 1.430 2458 I HN 0.308 nan 8.210 nan 0.000 0.489 2459 T N 0.626 115.190 114.554 0.017 0.000 2.985 2459 T HA -0.072 4.279 4.350 0.001 0.000 0.266 2459 T C 0.730 175.439 174.700 0.015 0.000 1.076 2459 T CA 0.194 62.303 62.100 0.016 0.000 1.135 2459 T CB -0.046 68.831 68.868 0.016 0.000 0.890 2459 T HN 0.435 nan 8.240 nan 0.000 0.480 2460 D N 2.888 123.296 120.400 0.014 0.000 2.325 2460 D HA 0.230 4.870 4.640 0.001 0.000 0.251 2460 D C -1.748 174.559 176.300 0.011 0.000 1.196 2460 D CA -2.642 51.365 54.000 0.012 0.000 0.866 2460 D CB 1.642 42.449 40.800 0.011 0.000 1.101 2460 D HN 0.006 nan 8.370 nan 0.000 0.476 2461 P HA -0.177 nan 4.420 nan 0.000 0.215 2461 P C 1.597 178.901 177.300 0.007 0.000 1.153 2461 P CA 0.438 63.544 63.100 0.011 0.000 0.853 2461 P CB 0.243 31.952 31.700 0.014 0.000 0.788 2462 V N -0.496 119.421 119.914 0.005 0.000 2.332 2462 V HA -0.230 3.891 4.120 0.001 0.000 0.248 2462 V C 2.047 178.140 176.094 -0.002 0.000 1.055 2462 V CA 1.788 64.088 62.300 0.001 0.000 1.038 2462 V CB -1.068 30.756 31.823 0.002 0.000 0.651 2462 V HN -0.003 nan 8.190 nan 0.000 0.450 2463 L N -0.094 121.130 121.223 0.002 0.000 2.109 2463 L HA -0.095 4.245 4.340 0.001 0.000 0.207 2463 L C 2.796 179.665 176.870 -0.003 0.000 1.086 2463 L CA 1.973 56.814 54.840 0.002 0.000 0.760 2463 L CB -0.716 41.348 42.059 0.009 0.000 0.910 2463 L HN 0.364 nan 8.230 nan 0.000 0.437 2464 R N 0.864 121.363 120.500 -0.001 0.000 2.083 2464 R HA -0.212 4.128 4.340 0.001 0.000 0.237 2464 R C 2.004 178.293 176.300 -0.018 0.000 1.137 2464 R CA 1.788 57.885 56.100 -0.005 0.000 0.951 2464 R CB -0.173 30.130 30.300 0.004 0.000 0.851 2464 R HN 0.366 nan 8.270 nan 0.000 0.434 2465 E N -0.219 119.972 120.200 -0.015 0.000 2.160 2465 E HA -0.194 4.156 4.350 0.001 0.000 0.195 2465 E C 1.870 178.444 176.600 -0.044 0.000 0.991 2465 E CA 1.203 57.589 56.400 -0.025 0.000 0.810 2465 E CB -0.047 29.643 29.700 -0.016 0.000 0.742 2465 E HN 0.542 nan 8.360 nan 0.000 0.466 2466 A N 0.508 123.305 122.820 -0.038 0.000 1.872 2466 A HA -0.102 4.219 4.320 0.001 0.000 0.214 2466 A C 2.443 179.986 177.584 -0.068 0.000 1.187 2466 A CA 0.871 52.878 52.037 -0.050 0.000 0.614 2466 A CB -0.554 18.428 19.000 -0.029 0.000 0.826 2466 A HN 0.112 nan 8.150 nan 0.000 0.442 2467 V N 1.662 121.548 119.914 -0.047 0.000 2.332 2467 V HA -0.298 3.823 4.120 0.001 0.000 0.248 2467 V C 2.579 178.615 176.094 -0.096 0.000 1.055 2467 V CA 2.339 64.608 62.300 -0.051 0.000 1.038 2467 V CB -1.020 30.790 31.823 -0.021 0.000 0.651 2467 V HN 0.889 nan 8.190 nan 0.000 0.450 2468 E N 1.083 121.224 120.200 -0.098 0.000 2.268 2468 E HA -0.142 4.208 4.350 0.001 0.000 0.195 2468 E C 2.043 178.543 176.600 -0.168 0.000 0.995 2468 E CA 1.283 57.600 56.400 -0.138 0.000 0.836 2468 E CB -0.312 29.313 29.700 -0.125 0.000 0.763 2468 E HN 0.544 nan 8.360 nan 0.000 0.491 2469 A N 1.014 123.741 122.820 -0.155 0.000 1.968 2469 A HA -0.146 4.174 4.320 0.001 0.000 0.217 2469 A C 2.155 179.569 177.584 -0.283 0.000 1.169 2469 A CA 1.285 53.212 52.037 -0.183 0.000 0.638 2469 A CB -0.238 18.675 19.000 -0.145 0.000 0.812 2469 A HN 0.168 nan 8.150 nan 0.000 0.446 2470 Q N -0.106 119.505 119.800 -0.316 0.000 2.123 2470 Q HA 0.059 4.400 4.340 0.001 0.000 0.199 2470 Q C 1.754 177.417 176.000 -0.562 0.000 0.966 2470 Q CA 1.321 56.781 55.803 -0.572 0.000 0.845 2470 Q CB -0.335 28.178 28.738 -0.374 0.000 0.907 2470 Q HN 0.708 nan 8.270 nan 0.000 0.439 2471 I N -0.499 119.902 120.570 -0.282 0.000 2.202 2471 I HA -0.254 3.916 4.170 0.001 0.000 0.242 2471 I C 2.406 178.373 176.117 -0.250 0.000 1.091 2471 I CA 0.997 62.176 61.300 -0.202 0.000 1.368 2471 I CB -0.246 37.641 38.000 -0.188 0.000 1.058 2471 I HN 0.138 nan 8.210 nan 0.000 0.410 2472 R N 0.195 120.540 120.500 -0.260 0.000 2.139 2472 R HA -0.210 4.131 4.340 0.001 0.000 0.243 2472 R C 2.478 178.623 176.300 -0.258 0.000 1.145 2472 R CA 1.866 57.823 56.100 -0.238 0.000 0.976 2472 R CB -0.153 30.028 30.300 -0.199 0.000 0.866 2472 R HN 0.329 nan 8.270 nan 0.000 0.449 2473 S N -0.920 114.581 115.700 -0.331 0.000 2.421 2473 S HA -0.004 4.466 4.470 0.001 0.000 0.224 2473 S C 1.447 175.887 174.600 -0.267 0.000 1.035 2473 S CA 0.266 58.253 58.200 -0.355 0.000 0.953 2473 S CB -0.010 62.905 63.200 -0.474 0.000 0.810 2473 S HN 0.249 nan 8.310 nan 0.000 0.497 2474 F N 2.254 122.085 119.950 -0.199 0.000 2.512 2474 F HA 0.425 4.952 4.527 0.000 0.000 0.296 2474 F C 1.682 177.322 175.800 -0.267 0.000 1.110 2474 F CA 0.143 58.026 58.000 -0.195 0.000 1.446 2474 F CB -0.762 38.145 39.000 -0.154 0.000 1.092 2474 F HN 0.438 nan 8.300 nan 0.000 0.554 2475 G N 0.551 109.230 108.800 -0.202 0.000 2.663 2475 G HA2 -0.110 3.850 3.960 0.001 0.000 0.686 2475 G HA3 -0.110 3.850 3.960 0.001 0.000 0.686 2475 G C -0.920 173.583 174.900 -0.662 0.000 1.246 2475 G CA -1.047 43.752 45.100 -0.500 0.000 0.795 2475 G HN 0.171 nan 8.290 nan 0.000 0.627 2476 Q N 0.274 119.607 119.800 -0.778 0.000 2.327 2476 Q HA 0.559 4.899 4.340 0.001 0.000 0.270 2476 Q C -0.065 175.539 176.000 -0.660 0.000 1.022 2476 Q CA -0.644 54.800 55.803 -0.599 0.000 0.773 2476 Q CB 1.920 30.458 28.738 -0.334 0.000 1.251 2476 Q HN 0.629 nan 8.270 nan 0.000 0.457 2477 T N 4.286 118.498 114.554 -0.570 0.000 2.901 2477 T HA 0.172 4.523 4.350 0.001 0.000 0.301 2477 T C -2.177 172.422 174.700 -0.169 0.000 1.012 2477 T CA -0.882 61.021 62.100 -0.328 0.000 1.135 2477 T CB 0.297 68.911 68.868 -0.423 0.000 0.936 2477 T HN 0.267 nan 8.240 nan 0.000 0.539 2478 P HA 0.116 nan 4.420 nan 0.000 0.268 2478 P C -0.302 177.030 177.300 0.054 0.000 1.208 2478 P CA -0.193 62.918 63.100 0.019 0.000 0.777 2478 P CB 0.395 32.144 31.700 0.081 0.000 0.875 2479 S N 1.218 116.962 115.700 0.073 0.000 2.552 2479 S HA -0.029 4.441 4.470 0.001 0.000 0.289 2479 S C 0.249 174.905 174.600 0.093 0.000 1.304 2479 S CA -0.164 58.076 58.200 0.067 0.000 1.063 2479 S CB -0.165 63.062 63.200 0.044 0.000 0.848 2479 S HN 0.407 nan 8.310 nan 0.000 0.499 2480 Q N 2.654 122.497 119.800 0.071 0.000 2.289 2480 Q HA 0.152 4.493 4.340 0.001 0.000 0.273 2480 Q C 0.412 176.406 176.000 -0.009 0.000 1.029 2480 Q CA -0.006 55.828 55.803 0.052 0.000 0.896 2480 Q CB 0.295 29.062 28.738 0.047 0.000 1.182 2480 Q HN 0.714 nan 8.270 nan 0.000 0.385 2481 L N 4.958 126.131 121.223 -0.083 0.000 2.416 2481 L HA 0.188 4.528 4.340 0.001 0.000 0.216 2481 L C 0.231 176.833 176.870 -0.447 0.000 1.098 2481 L CA 0.241 54.912 54.840 -0.282 0.000 0.840 2481 L CB -0.091 41.669 42.059 -0.498 0.000 0.981 2481 L HN 0.626 nan 8.230 nan 0.000 0.462 2482 L N -3.178 117.860 121.223 -0.309 0.000 2.794 2482 L HA 0.387 4.728 4.340 0.001 0.000 0.261 2482 L C -0.254 176.591 176.870 -0.043 0.000 0.989 2482 L CA -0.857 53.852 54.840 -0.219 0.000 0.900 2482 L CB 1.629 43.446 42.059 -0.403 0.000 1.473 2482 L HN -0.005 nan 8.230 nan 0.000 0.414 2483 I N -2.941 117.638 120.570 0.016 0.000 4.025 2483 I HA 0.457 4.627 4.170 0.001 0.000 0.336 2483 I C -0.167 175.994 176.117 0.074 0.000 1.390 2483 I CA -0.118 61.228 61.300 0.077 0.000 1.099 2483 I CB 0.398 38.432 38.000 0.058 0.000 1.049 2483 I HN 0.514 nan 8.210 nan 0.000 0.394 2484 E N 1.999 122.208 120.200 0.014 0.000 2.299 2484 E HA 0.514 4.864 4.350 0.001 0.000 0.260 2484 E C -2.631 173.869 176.600 -0.166 0.000 0.944 2484 E CA -2.178 54.147 56.400 -0.125 0.000 0.815 2484 E CB 0.964 30.624 29.700 -0.066 0.000 1.252 2484 E HN -0.083 nan 8.360 nan 0.000 0.418 2485 P HA -0.017 nan 4.420 nan 0.000 0.268 2485 P C -0.302 177.090 177.300 0.153 0.000 1.204 2485 P CA 0.306 63.306 63.100 -0.167 0.000 0.768 2485 P CB 0.288 31.846 31.700 -0.235 0.000 0.842 2486 H N 4.935 124.160 119.070 0.258 0.000 2.722 2486 H HA 0.205 4.761 4.556 0.001 0.000 0.328 2486 H C -2.206 173.311 175.328 0.314 0.000 1.067 2486 H CA -1.886 54.342 56.048 0.300 0.000 1.447 2486 H CB 0.241 30.206 29.762 0.338 0.000 1.469 2486 H HN 0.224 nan 8.280 nan 0.000 0.544 2487 P HA 0.088 nan 4.420 nan 0.000 0.271 2487 P C -2.465 174.967 177.300 0.220 0.000 1.216 2487 P CA -1.000 62.203 63.100 0.171 0.000 0.776 2487 P CB 0.214 31.942 31.700 0.047 0.000 0.881 2488 P HA 0.045 nan 4.420 nan 0.000 0.272 2488 P C -1.341 175.836 177.300 -0.205 0.000 1.240 2488 P CA -0.489 62.314 63.100 -0.495 0.000 0.791 2488 P CB 1.199 32.566 31.700 -0.554 0.000 0.978 2489 R N 0.000 120.291 120.500 -0.348 0.000 2.786 2489 R HA 0.000 4.340 4.340 0.001 0.000 0.208 2489 R CA 0.000 55.574 56.100 -0.878 0.000 0.921 2489 R CB 0.000 29.616 30.300 -1.140 0.000 0.687 2489 R HN 0.000 nan 8.270 nan 0.000 0.535