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 1ddx_1_C DATA FIRST_RESID 2033 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 2033 A HA 0.000 nan 4.320 nan 0.000 0.244 2033 A C 0.000 177.633 177.584 0.081 0.000 1.274 2033 A CA 0.000 52.078 52.037 0.068 0.000 0.836 2033 A CB 0.000 19.057 19.000 0.094 0.000 0.831 2034 N N 2.557 121.296 118.700 0.064 0.000 2.429 2034 N HA 0.114 4.854 4.740 -0.000 0.000 0.271 2034 N C -1.407 174.120 175.510 0.029 0.000 1.272 2034 N CA -0.968 52.116 53.050 0.057 0.000 0.921 2034 N CB 1.071 39.582 38.487 0.039 0.000 1.128 2034 N HN 0.232 nan 8.380 nan 0.000 0.481 2035 P HA -0.067 nan 4.420 nan 0.000 0.229 2035 P C 0.699 177.929 177.300 -0.117 0.000 1.150 2035 P CA 0.695 63.802 63.100 0.011 0.000 0.765 2035 P CB 0.146 31.920 31.700 0.123 0.000 0.783 2036 c N -1.849 116.714 118.600 -0.062 0.000 2.590 2036 c HA 0.057 4.627 4.570 -0.000 0.000 0.272 2036 c C 2.860 176.875 174.090 -0.124 0.000 1.338 2036 c CA -0.093 56.168 56.329 -0.114 0.000 1.746 2036 c CB -1.719 40.789 42.510 -0.004 0.000 2.020 2036 c HN 0.324 nan 8.230 nan 0.000 0.531 2037 c N 1.928 120.481 118.600 -0.079 0.000 2.365 2037 c HA -0.223 4.346 4.570 -0.000 0.000 0.269 2037 c C 2.740 176.779 174.090 -0.086 0.000 1.131 2037 c CA 2.376 58.666 56.329 -0.065 0.000 1.827 2037 c CB -1.506 40.980 42.510 -0.040 0.000 2.131 2037 c HN 0.796 nan 8.230 nan 0.000 0.450 2038 S N 0.229 115.856 115.700 -0.122 0.000 2.723 2038 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 2038 S C 0.445 174.968 174.600 -0.129 0.000 0.967 2038 S CA 0.618 58.745 58.200 -0.121 0.000 0.958 2038 S CB -1.051 62.062 63.200 -0.145 0.000 0.778 2038 S HN 0.778 nan 8.310 nan 0.000 0.537 2039 N N 1.523 120.145 118.700 -0.129 0.000 2.708 2039 N HA -0.127 4.613 4.740 -0.000 0.000 0.251 2039 N C -1.789 173.653 175.510 -0.112 0.000 1.017 2039 N CA 0.711 53.691 53.050 -0.116 0.000 0.742 2039 N CB -0.990 37.434 38.487 -0.106 0.000 0.943 2039 N HN 0.494 nan 8.380 nan 0.000 0.539 2040 P HA -0.120 nan 4.420 nan 0.000 0.215 2040 P C 0.511 177.812 177.300 0.003 0.000 1.157 2040 P CA 1.023 64.054 63.100 -0.115 0.000 0.874 2040 P CB -0.124 31.378 31.700 -0.329 0.000 0.790 2041 c N 2.800 121.433 118.600 0.054 0.000 2.638 2041 c HA 0.150 4.720 4.570 -0.000 0.000 0.410 2041 c C 0.986 175.068 174.090 -0.013 0.000 1.404 2041 c CA -0.400 55.970 56.329 0.068 0.000 1.651 2041 c CB -1.323 41.247 42.510 0.101 0.000 2.495 2041 c HN 0.301 nan 8.230 nan 0.000 0.606 2042 Q N 1.944 121.716 119.800 -0.047 0.000 2.195 2042 Q HA 0.308 4.648 4.340 -0.000 0.000 0.250 2042 Q C 0.257 176.161 176.000 -0.161 0.000 0.988 2042 Q CA -0.453 55.274 55.803 -0.126 0.000 0.911 2042 Q CB 0.476 29.100 28.738 -0.189 0.000 1.258 2042 Q HN 0.790 nan 8.270 nan 0.000 0.475 2043 N N 1.779 120.349 118.700 -0.217 0.000 2.696 2043 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 2043 N C -0.534 174.962 175.510 -0.023 0.000 1.031 2043 N CA 0.446 53.387 53.050 -0.181 0.000 0.730 2043 N CB -0.394 37.828 38.487 -0.442 0.000 0.894 2043 N HN 0.627 nan 8.380 nan 0.000 0.544 2044 R N -3.767 116.715 120.500 -0.030 0.000 4.000 2044 R HA -0.167 4.173 4.340 -0.000 0.000 0.362 2044 R C 1.042 177.367 176.300 0.042 0.000 1.183 2044 R CA 1.350 57.452 56.100 0.004 0.000 1.011 2044 R CB -2.315 27.997 30.300 0.020 0.000 1.501 2044 R HN 0.600 nan 8.270 nan 0.000 0.553 2045 G N 0.713 109.535 108.800 0.036 0.000 2.664 2045 G HA2 0.223 4.183 3.960 -0.000 0.000 0.242 2045 G HA3 0.223 4.183 3.960 -0.000 0.000 0.242 2045 G C -0.417 174.526 174.900 0.072 0.000 1.225 2045 G CA -0.277 44.863 45.100 0.066 0.000 0.849 2045 G HN 0.194 nan 8.290 nan 0.000 0.581 2046 E N -0.957 119.299 120.200 0.094 0.000 2.176 2046 E HA 0.355 4.705 4.350 -0.000 0.000 0.267 2046 E C -0.767 175.905 176.600 0.121 0.000 0.893 2046 E CA -0.636 55.832 56.400 0.113 0.000 0.761 2046 E CB 1.536 31.317 29.700 0.135 0.000 1.133 2046 E HN 0.483 nan 8.360 nan 0.000 0.409 2047 c N 5.558 124.233 118.600 0.126 0.000 2.369 2047 c HA 0.693 5.263 4.570 -0.000 0.000 0.358 2047 c C -0.412 173.776 174.090 0.164 0.000 1.274 2047 c CA -0.446 55.987 56.329 0.173 0.000 1.935 2047 c CB -0.799 41.799 42.510 0.148 0.000 2.431 2047 c HN 0.868 nan 8.230 nan 0.000 0.545 2048 M N 5.687 125.390 119.600 0.172 0.000 2.326 2048 M HA 0.435 4.914 4.480 -0.000 0.000 0.292 2048 M C -0.072 176.309 176.300 0.135 0.000 1.081 2048 M CA -0.048 55.334 55.300 0.136 0.000 0.919 2048 M CB 1.899 34.554 32.600 0.092 0.000 1.634 2048 M HN 0.620 nan 8.290 nan 0.000 0.451 2049 S N 2.308 118.080 115.700 0.120 0.000 2.670 2049 S HA 0.132 4.602 4.470 -0.000 0.000 0.328 2049 S C 0.710 175.338 174.600 0.048 0.000 1.179 2049 S CA -0.092 58.168 58.200 0.100 0.000 1.194 2049 S CB -1.040 62.202 63.200 0.069 0.000 1.359 2049 S HN 0.779 nan 8.310 nan 0.000 0.555 2050 T N 0.256 114.841 114.554 0.051 0.000 3.467 2050 T HA 0.543 4.893 4.350 -0.000 0.000 0.232 2050 T C 0.774 175.480 174.700 0.009 0.000 0.876 2050 T CA -0.042 62.065 62.100 0.011 0.000 0.939 2050 T CB -1.111 67.752 68.868 -0.010 0.000 1.165 2050 T HN 1.373 nan 8.240 nan 0.000 0.615 2051 G N 0.197 108.986 108.800 -0.019 0.000 2.357 2051 G HA2 0.072 4.031 3.960 -0.000 0.000 0.643 2051 G HA3 0.072 4.031 3.960 -0.000 0.000 0.643 2051 G C -0.152 174.749 174.900 0.002 0.000 1.358 2051 G CA -0.700 44.381 45.100 -0.031 0.000 0.986 2051 G HN 0.130 nan 8.290 nan 0.000 0.620 2052 F N 0.065 120.046 119.950 0.053 0.000 2.087 2052 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 2052 F C 1.908 177.742 175.800 0.057 0.000 1.100 2052 F CA 2.108 60.139 58.000 0.052 0.000 1.226 2052 F CB 0.267 39.292 39.000 0.041 0.000 0.983 2052 F HN 0.323 nan 8.300 nan 0.000 0.479 2053 D N 0.014 120.570 120.400 0.261 0.000 2.891 2053 D HA 0.144 4.784 4.640 -0.000 0.000 0.332 2053 D C -0.451 175.946 176.300 0.161 0.000 1.369 2053 D CA 0.173 54.279 54.000 0.176 0.000 0.827 2053 D CB 0.211 41.093 40.800 0.136 0.000 1.141 2053 D HN 0.361 nan 8.370 nan 0.000 0.464 2054 Q N 0.124 120.030 119.800 0.175 0.000 2.482 2054 Q HA 0.479 4.818 4.340 -0.000 0.000 0.286 2054 Q C -0.991 175.161 176.000 0.254 0.000 1.007 2054 Q CA -1.114 54.810 55.803 0.201 0.000 0.801 2054 Q CB 2.300 31.107 28.738 0.114 0.000 1.455 2054 Q HN 0.201 nan 8.270 nan 0.000 0.398 2055 Y N -1.097 119.223 120.300 0.034 0.000 2.818 2055 Y HA 0.881 5.431 4.550 -0.000 0.000 0.322 2055 Y C -1.559 174.359 175.900 0.030 0.000 1.323 2055 Y CA -1.149 56.970 58.100 0.031 0.000 1.090 2055 Y CB 1.968 40.445 38.460 0.030 0.000 1.328 2055 Y HN 0.725 nan 8.280 nan 0.000 0.482 2056 K N 0.252 120.521 120.400 -0.217 0.000 2.546 2056 K HA 0.641 4.961 4.320 -0.000 0.000 0.264 2056 K C -2.451 174.114 176.600 -0.059 0.000 0.937 2056 K CA -0.233 55.883 56.287 -0.286 0.000 0.833 2056 K CB 1.989 34.414 32.500 -0.125 0.000 1.378 2056 K HN 0.952 nan 8.250 nan 0.000 0.432 2057 c N 2.562 121.122 118.600 -0.066 0.000 2.322 2057 c HA 0.438 5.008 4.570 -0.000 0.000 0.324 2057 c C -0.686 173.434 174.090 0.050 0.000 1.284 2057 c CA -0.765 55.596 56.329 0.053 0.000 1.606 2057 c CB 0.725 43.285 42.510 0.084 0.000 2.251 2057 c HN 0.774 nan 8.230 nan 0.000 0.502 2058 D N 2.444 122.887 120.400 0.072 0.000 2.563 2058 D HA 0.136 4.776 4.640 -0.000 0.000 0.222 2058 D C -0.127 176.225 176.300 0.086 0.000 1.145 2058 D CA -0.050 53.992 54.000 0.070 0.000 1.001 2058 D CB 0.416 41.259 40.800 0.071 0.000 1.049 2058 D HN 0.684 nan 8.370 nan 0.000 0.515 2059 c N 2.822 121.482 118.600 0.099 0.000 3.247 2059 c HA 0.195 4.764 4.570 -0.000 0.000 0.573 2059 c C 0.898 175.063 174.090 0.125 0.000 1.106 2059 c CA -0.683 55.728 56.329 0.136 0.000 1.209 2059 c CB -1.863 40.754 42.510 0.179 0.000 1.460 2059 c HN 0.288 nan 8.230 nan 0.000 0.634 2060 T N 1.344 115.957 114.554 0.099 0.000 2.744 2060 T HA 0.355 4.705 4.350 -0.000 0.000 0.291 2060 T C 0.878 175.626 174.700 0.081 0.000 0.957 2060 T CA -0.301 61.845 62.100 0.077 0.000 1.002 2060 T CB 0.540 69.442 68.868 0.056 0.000 0.919 2060 T HN 0.670 nan 8.240 nan 0.000 0.468 2061 R N 0.394 120.937 120.500 0.072 0.000 4.000 2061 R HA -0.234 4.106 4.340 -0.000 0.000 0.362 2061 R C 1.763 178.119 176.300 0.095 0.000 1.183 2061 R CA 1.331 57.471 56.100 0.066 0.000 1.011 2061 R CB -2.172 28.162 30.300 0.056 0.000 1.501 2061 R HN 0.895 nan 8.270 nan 0.000 0.553 2062 T N -4.929 109.706 114.554 0.134 0.000 2.809 2062 T HA 0.168 4.518 4.350 -0.000 0.000 0.260 2062 T C 1.556 176.380 174.700 0.206 0.000 1.039 2062 T CA 1.237 63.471 62.100 0.223 0.000 1.141 2062 T CB 0.286 69.331 68.868 0.294 0.000 0.869 2062 T HN 0.701 nan 8.240 nan 0.000 0.437 2063 G N 0.661 109.495 108.800 0.056 0.000 2.175 2063 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.182 2063 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.182 2063 G C -0.201 174.290 174.900 -0.681 0.000 1.003 2063 G CA -0.365 44.542 45.100 -0.321 0.000 0.666 2063 G HN 0.559 nan 8.290 nan 0.000 0.506 2064 F N 0.084 120.100 119.950 0.109 0.000 2.591 2064 F HA 0.704 5.231 4.527 -0.000 0.000 0.309 2064 F C 0.557 176.450 175.800 0.154 0.000 1.098 2064 F CA -1.454 56.580 58.000 0.056 0.000 0.937 2064 F CB 0.899 39.883 39.000 -0.026 0.000 1.250 2064 F HN 0.151 nan 8.300 nan 0.000 0.447 2065 Y N 0.209 120.622 120.300 0.188 0.000 3.045 2065 Y HA 0.896 5.446 4.550 -0.000 0.000 0.391 2065 Y C 0.947 176.916 175.900 0.115 0.000 1.234 2065 Y CA -1.355 56.815 58.100 0.118 0.000 1.281 2065 Y CB -0.345 38.157 38.460 0.071 0.000 1.401 2065 Y HN 0.895 nan 8.280 nan 0.000 0.837 2066 G N 0.354 109.305 108.800 0.252 0.000 2.750 2066 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.686 2066 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.686 2066 G C 0.301 175.253 174.900 0.088 0.000 1.395 2066 G CA 0.191 45.359 45.100 0.112 0.000 0.918 2066 G HN 1.055 nan 8.290 nan 0.000 0.594 2067 E N 0.454 120.688 120.200 0.056 0.000 2.233 2067 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 2067 E C 1.479 178.107 176.600 0.047 0.000 1.004 2067 E CA 1.677 58.087 56.400 0.017 0.000 0.819 2067 E CB -0.070 29.632 29.700 0.004 0.000 0.738 2067 E HN 0.465 nan 8.360 nan 0.000 0.478 2068 N N -0.749 117.994 118.700 0.072 0.000 2.187 2068 N HA 0.080 4.820 4.740 -0.000 0.000 0.212 2068 N C -0.520 175.014 175.510 0.039 0.000 1.152 2068 N CA 0.592 53.695 53.050 0.087 0.000 0.872 2068 N CB 0.561 39.093 38.487 0.074 0.000 1.025 2068 N HN 0.156 nan 8.380 nan 0.000 0.514 2069 c N 0.596 119.229 118.600 0.055 0.000 4.545 2069 c HA -0.126 4.444 4.570 -0.000 0.000 0.300 2069 c C 1.883 175.953 174.090 -0.033 0.000 1.337 2069 c CA 0.934 57.308 56.329 0.075 0.000 2.032 2069 c CB -2.876 39.670 42.510 0.059 0.000 1.236 2069 c HN 0.566 nan 8.230 nan 0.000 0.774 2070 T N -3.202 111.337 114.554 -0.025 0.000 3.053 2070 T HA 0.085 4.434 4.350 -0.000 0.000 0.236 2070 T C 0.673 175.408 174.700 0.058 0.000 0.996 2070 T CA 1.008 63.056 62.100 -0.086 0.000 1.185 2070 T CB -0.381 68.446 68.868 -0.069 0.000 0.892 2070 T HN 0.513 nan 8.240 nan 0.000 0.432 2071 T N 5.444 119.936 114.554 -0.104 0.000 2.778 2071 T HA 0.222 4.571 4.350 -0.000 0.000 0.282 2071 T C -2.331 172.133 174.700 -0.392 0.000 0.983 2071 T CA -0.648 61.237 62.100 -0.357 0.000 1.193 2071 T CB 0.279 68.664 68.868 -0.805 0.000 0.938 2071 T HN 0.346 nan 8.240 nan 0.000 0.523 2072 P HA 0.406 nan 4.420 nan 0.000 0.280 2072 P C -0.235 177.007 177.300 -0.097 0.000 1.272 2072 P CA -0.768 62.185 63.100 -0.244 0.000 0.819 2072 P CB 1.298 32.900 31.700 -0.164 0.000 1.122 2073 E N -0.726 119.442 120.200 -0.053 0.000 2.267 2073 E HA 0.220 4.570 4.350 -0.000 0.000 0.258 2073 E C 0.624 177.288 176.600 0.106 0.000 1.074 2073 E CA -0.630 55.875 56.400 0.174 0.000 0.915 2073 E CB 0.383 30.154 29.700 0.117 0.000 1.186 2073 E HN 0.268 nan 8.360 nan 0.000 0.439 2074 F N 1.034 120.990 119.950 0.011 0.000 2.010 2074 F HA -0.231 4.296 4.527 -0.000 0.000 0.296 2074 F C 2.069 177.849 175.800 -0.034 0.000 1.146 2074 F CA 1.454 59.449 58.000 -0.008 0.000 1.181 2074 F CB -0.450 38.551 39.000 0.001 0.000 0.965 2074 F HN 0.421 nan 8.300 nan 0.000 0.480 2075 L N 0.337 121.613 121.223 0.089 0.000 2.151 2075 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 2075 L C 2.144 178.941 176.870 -0.121 0.000 1.084 2075 L CA 2.551 57.373 54.840 -0.030 0.000 0.764 2075 L CB -1.505 40.563 42.059 0.015 0.000 0.891 2075 L HN 0.334 nan 8.230 nan 0.000 0.435 2076 T N 0.128 114.597 114.554 -0.143 0.000 2.652 2076 T HA -0.215 4.134 4.350 -0.000 0.000 0.267 2076 T C 1.849 176.438 174.700 -0.185 0.000 1.039 2076 T CA 1.829 63.798 62.100 -0.217 0.000 1.153 2076 T CB -0.322 68.302 68.868 -0.408 0.000 0.863 2076 T HN 0.458 nan 8.240 nan 0.000 0.428 2077 R N 1.200 121.571 120.500 -0.215 0.000 2.103 2077 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 2077 R C 2.468 178.636 176.300 -0.221 0.000 1.132 2077 R CA 1.588 57.559 56.100 -0.215 0.000 0.925 2077 R CB -1.095 29.016 30.300 -0.315 0.000 0.842 2077 R HN 0.369 nan 8.270 nan 0.000 0.430 2078 I N 1.524 121.899 120.570 -0.325 0.000 2.399 2078 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 2078 I C 2.107 178.143 176.117 -0.134 0.000 1.146 2078 I CA 1.428 62.584 61.300 -0.239 0.000 1.412 2078 I CB -1.072 36.779 38.000 -0.248 0.000 1.076 2078 I HN 0.214 nan 8.210 nan 0.000 0.432 2079 K N 0.813 121.141 120.400 -0.121 0.000 2.103 2079 K HA -0.015 4.304 4.320 -0.000 0.000 0.204 2079 K C 2.266 178.835 176.600 -0.051 0.000 1.052 2079 K CA 0.986 57.225 56.287 -0.079 0.000 0.945 2079 K CB -0.033 32.418 32.500 -0.082 0.000 0.722 2079 K HN 0.337 nan 8.250 nan 0.000 0.443 2080 L N 0.730 121.926 121.223 -0.046 0.000 2.131 2080 L HA -0.047 4.292 4.340 -0.000 0.000 0.206 2080 L C 1.485 178.344 176.870 -0.018 0.000 1.087 2080 L CA 0.570 55.405 54.840 -0.007 0.000 0.767 2080 L CB -0.265 41.806 42.059 0.020 0.000 0.917 2080 L HN 0.104 nan 8.230 nan 0.000 0.441 2081 L N 0.969 122.163 121.223 -0.048 0.000 2.855 2081 L HA 0.076 4.416 4.340 -0.000 0.000 0.245 2081 L C 0.590 177.435 176.870 -0.042 0.000 1.276 2081 L CA 0.307 55.119 54.840 -0.046 0.000 1.118 2081 L CB -0.263 41.754 42.059 -0.071 0.000 1.444 2081 L HN 0.344 nan 8.230 nan 0.000 0.440 2082 L N -0.679 120.526 121.223 -0.030 0.000 4.070 2082 L HA 0.161 4.501 4.340 -0.000 0.000 0.398 2082 L C 0.258 177.123 176.870 -0.008 0.000 1.215 2082 L CA 0.033 54.858 54.840 -0.025 0.000 1.332 2082 L CB 0.615 42.653 42.059 -0.035 0.000 1.499 2082 L HN 0.093 nan 8.230 nan 0.000 0.613 2083 K N 3.415 123.818 120.400 0.004 0.000 2.347 2083 K HA 0.393 4.713 4.320 -0.000 0.000 0.262 2083 K C -2.316 174.307 176.600 0.038 0.000 1.052 2083 K CA -1.387 54.918 56.287 0.029 0.000 0.946 2083 K CB 1.220 33.744 32.500 0.040 0.000 1.220 2083 K HN -0.130 nan 8.250 nan 0.000 0.450 2084 P HA 0.009 nan 4.420 nan 0.000 0.276 2084 P C -0.165 177.177 177.300 0.070 0.000 1.235 2084 P CA -0.237 62.889 63.100 0.044 0.000 0.772 2084 P CB 0.879 32.600 31.700 0.035 0.000 0.871 2085 T N 1.975 116.568 114.554 0.064 0.000 2.946 2085 T HA 0.042 4.391 4.350 -0.000 0.000 0.311 2085 T C -1.197 173.572 174.700 0.115 0.000 1.063 2085 T CA -0.931 61.218 62.100 0.082 0.000 1.139 2085 T CB -0.094 68.815 68.868 0.070 0.000 0.994 2085 T HN 0.283 nan 8.240 nan 0.000 0.547 2086 P HA -0.138 nan 4.420 nan 0.000 0.216 2086 P C 1.185 178.618 177.300 0.221 0.000 1.150 2086 P CA 1.262 64.463 63.100 0.168 0.000 0.843 2086 P CB 0.008 31.801 31.700 0.154 0.000 0.787 2087 N N -0.649 118.171 118.700 0.200 0.000 2.084 2087 N HA -0.099 4.641 4.740 -0.000 0.000 0.190 2087 N C 1.860 177.505 175.510 0.225 0.000 1.030 2087 N CA 1.588 54.770 53.050 0.220 0.000 0.849 2087 N CB -1.467 37.112 38.487 0.153 0.000 1.012 2087 N HN 0.164 nan 8.380 nan 0.000 0.423 2088 T N 1.747 116.395 114.554 0.156 0.000 2.580 2088 T HA -0.121 4.228 4.350 -0.000 0.000 0.265 2088 T C 2.182 177.018 174.700 0.227 0.000 1.063 2088 T CA 2.025 64.201 62.100 0.126 0.000 1.170 2088 T CB -0.652 68.252 68.868 0.061 0.000 0.863 2088 T HN 0.010 nan 8.240 nan 0.000 0.418 2089 V N 1.814 121.843 119.914 0.192 0.000 2.219 2089 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 2089 V C 2.366 178.604 176.094 0.240 0.000 1.053 2089 V CA 2.401 64.812 62.300 0.184 0.000 1.009 2089 V CB -1.226 30.688 31.823 0.152 0.000 0.636 2089 V HN 0.547 nan 8.190 nan 0.000 0.445 2090 H N -0.185 118.961 119.070 0.128 0.000 2.330 2090 H HA -0.308 4.247 4.556 -0.000 0.000 0.290 2090 H C 2.153 177.598 175.328 0.195 0.000 1.111 2090 H CA 2.682 58.805 56.048 0.124 0.000 1.226 2090 H CB -0.808 29.091 29.762 0.228 0.000 1.355 2090 H HN 0.600 nan 8.280 nan 0.000 0.485 2091 Y N 1.520 121.977 120.300 0.263 0.000 2.014 2091 Y HA -0.260 4.290 4.550 -0.000 0.000 0.270 2091 Y C 2.882 179.090 175.900 0.513 0.000 1.145 2091 Y CA 2.861 61.143 58.100 0.302 0.000 1.106 2091 Y CB -0.582 37.960 38.460 0.137 0.000 0.968 2091 Y HN 0.222 nan 8.280 nan 0.000 0.484 2092 I N -0.505 120.476 120.570 0.686 0.000 2.300 2092 I HA -0.312 3.858 4.170 -0.000 0.000 0.252 2092 I C 2.104 178.593 176.117 0.620 0.000 1.119 2092 I CA 1.188 62.814 61.300 0.543 0.000 1.384 2092 I CB -1.307 36.818 38.000 0.208 0.000 1.062 2092 I HN 0.348 nan 8.210 nan 0.000 0.426 2093 L N 1.440 122.887 121.223 0.373 0.000 2.156 2093 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 2093 L C 2.516 179.467 176.870 0.135 0.000 1.095 2093 L CA 2.328 57.198 54.840 0.050 0.000 0.770 2093 L CB -1.515 40.022 42.059 -0.870 0.000 0.914 2093 L HN 0.476 nan 8.230 nan 0.000 0.439 2094 T N -4.805 109.897 114.554 0.247 0.000 3.122 2094 T HA 0.161 4.510 4.350 -0.000 0.000 0.250 2094 T C 0.605 175.281 174.700 -0.040 0.000 1.067 2094 T CA -0.107 62.007 62.100 0.023 0.000 0.966 2094 T CB -0.021 68.821 68.868 -0.042 0.000 1.002 2094 T HN 0.240 nan 8.240 nan 0.000 0.542 2095 H N -0.741 118.623 119.070 0.490 0.000 3.605 2095 H HA 0.555 5.111 4.556 -0.000 0.000 0.307 2095 H C -0.146 175.588 175.328 0.677 0.000 1.692 2095 H CA -1.614 54.679 56.048 0.407 0.000 1.453 2095 H CB 0.075 29.785 29.762 -0.088 0.000 1.511 2095 H HN -0.022 nan 8.280 nan 0.000 0.809 2096 F N -0.078 120.015 119.950 0.237 0.000 3.100 2096 F HA -0.326 4.201 4.527 -0.000 0.000 0.274 2096 F C 1.919 177.705 175.800 -0.024 0.000 0.910 2096 F CA 1.033 59.050 58.000 0.029 0.000 0.932 2096 F CB -1.519 37.399 39.000 -0.136 0.000 1.007 2096 F HN 0.509 nan 8.300 nan 0.000 0.609 2097 K N 0.870 121.315 120.400 0.076 0.000 2.169 2097 K HA -0.302 4.017 4.320 -0.000 0.000 0.213 2097 K C 2.322 178.898 176.600 -0.039 0.000 1.050 2097 K CA 2.089 58.201 56.287 -0.292 0.000 0.935 2097 K CB -0.834 31.190 32.500 -0.794 0.000 0.722 2097 K HN 0.535 nan 8.250 nan 0.000 0.468 2098 G N 0.470 109.259 108.800 -0.018 0.000 2.480 2098 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.216 2098 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.216 2098 G C 1.519 176.438 174.900 0.031 0.000 1.200 2098 G CA 1.000 46.103 45.100 0.006 0.000 0.782 2098 G HN 0.249 nan 8.290 nan 0.000 0.554 2099 V N -0.126 119.794 119.914 0.009 0.000 2.255 2099 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 2099 V C 2.498 178.585 176.094 -0.011 0.000 1.051 2099 V CA 2.164 64.425 62.300 -0.065 0.000 1.018 2099 V CB -0.545 31.161 31.823 -0.195 0.000 0.641 2099 V HN 0.641 nan 8.190 nan 0.000 0.445 2100 W N -0.201 121.156 121.300 0.095 0.000 2.331 2100 W HA -0.262 4.398 4.660 -0.000 0.000 0.291 2100 W C 2.460 179.025 176.519 0.077 0.000 1.214 2100 W CA 1.377 58.797 57.345 0.125 0.000 1.228 2100 W CB -0.401 29.175 29.460 0.193 0.000 1.135 2100 W HN 0.316 nan 8.180 nan 0.000 0.537 2101 N N 0.446 119.298 118.700 0.253 0.000 2.188 2101 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 2101 N C 1.359 176.931 175.510 0.104 0.000 1.018 2101 N CA 1.498 54.634 53.050 0.143 0.000 0.858 2101 N CB -0.328 38.205 38.487 0.077 0.000 0.989 2101 N HN 0.036 nan 8.380 nan 0.000 0.426 2102 I N -0.810 119.811 120.570 0.084 0.000 2.113 2102 I HA -0.234 3.936 4.170 -0.000 0.000 0.238 2102 I C 2.151 178.295 176.117 0.046 0.000 1.070 2102 I CA 0.782 62.108 61.300 0.043 0.000 1.332 2102 I CB -0.431 37.576 38.000 0.012 0.000 1.044 2102 I HN -0.005 nan 8.210 nan 0.000 0.402 2103 V N 0.806 120.778 119.914 0.097 0.000 2.343 2103 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 2103 V C 1.257 177.418 176.094 0.113 0.000 1.051 2103 V CA 1.687 64.056 62.300 0.116 0.000 1.036 2103 V CB -0.760 31.227 31.823 0.274 0.000 0.654 2103 V HN 0.443 nan 8.190 nan 0.000 0.451 2104 N N 1.337 120.126 118.700 0.150 0.000 2.810 2104 N HA -0.053 4.687 4.740 -0.000 0.000 0.217 2104 N C 0.110 175.621 175.510 0.001 0.000 1.647 2104 N CA 0.269 53.345 53.050 0.042 0.000 0.945 2104 N CB -0.914 37.600 38.487 0.045 0.000 1.316 2104 N HN 0.264 nan 8.380 nan 0.000 0.512 2105 I N -0.457 120.041 120.570 -0.120 0.000 3.672 2105 I HA -0.284 3.886 4.170 -0.000 0.000 0.126 2105 I C -1.110 174.779 176.117 -0.380 0.000 1.009 2105 I CA -0.217 60.889 61.300 -0.325 0.000 2.742 2105 I CB -1.082 36.624 38.000 -0.489 0.000 1.271 2105 I HN 0.121 nan 8.210 nan 0.000 0.342 2106 P HA -0.299 nan 4.420 nan 0.000 0.216 2106 P C 1.783 179.122 177.300 0.065 0.000 1.062 2106 P CA 2.707 65.826 63.100 0.031 0.000 0.995 2106 P CB -0.203 31.597 31.700 0.168 0.000 0.762 2107 F N -1.860 118.142 119.950 0.086 0.000 2.087 2107 F HA -0.203 4.323 4.527 -0.000 0.000 0.299 2107 F C 2.440 178.308 175.800 0.114 0.000 1.100 2107 F CA 1.011 59.065 58.000 0.091 0.000 1.226 2107 F CB -1.881 37.164 39.000 0.075 0.000 0.983 2107 F HN -0.147 nan 8.300 nan 0.000 0.479 2108 L N 0.284 121.324 121.223 -0.304 0.000 1.955 2108 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 2108 L C 2.983 179.919 176.870 0.109 0.000 1.072 2108 L CA 1.978 56.756 54.840 -0.104 0.000 0.755 2108 L CB -0.640 41.273 42.059 -0.244 0.000 0.888 2108 L HN 0.184 nan 8.230 nan 0.000 0.432 2109 R N -0.102 120.469 120.500 0.118 0.000 2.143 2109 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 2109 R C 2.364 178.892 176.300 0.380 0.000 1.126 2109 R CA 2.517 58.807 56.100 0.318 0.000 0.927 2109 R CB -0.385 29.984 30.300 0.114 0.000 0.860 2109 R HN 0.285 nan 8.270 nan 0.000 0.433 2110 S N 1.388 117.227 115.700 0.232 0.000 2.359 2110 S HA -0.238 4.232 4.470 -0.000 0.000 0.222 2110 S C 1.941 176.666 174.600 0.208 0.000 1.038 2110 S CA 1.559 59.886 58.200 0.210 0.000 1.051 2110 S CB -0.748 62.550 63.200 0.164 0.000 0.944 2110 S HN 0.521 nan 8.310 nan 0.000 0.433 2111 L N 1.571 122.911 121.223 0.195 0.000 2.103 2111 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 2111 L C 1.834 178.807 176.870 0.171 0.000 1.080 2111 L CA 1.825 56.769 54.840 0.174 0.000 0.764 2111 L CB -0.554 41.608 42.059 0.171 0.000 0.890 2111 L HN 0.213 nan 8.230 nan 0.000 0.435 2112 I N -0.780 119.897 120.570 0.178 0.000 2.130 2112 I HA -0.217 3.953 4.170 -0.000 0.000 0.234 2112 I C 2.553 178.699 176.117 0.047 0.000 1.067 2112 I CA 1.822 63.168 61.300 0.076 0.000 1.339 2112 I CB -1.200 36.751 38.000 -0.082 0.000 1.073 2112 I HN 0.447 nan 8.210 nan 0.000 0.405 2113 M N 1.589 121.269 119.600 0.132 0.000 2.153 2113 M HA -0.307 4.173 4.480 -0.000 0.000 0.253 2113 M C 2.209 178.569 176.300 0.100 0.000 1.081 2113 M CA 2.196 57.636 55.300 0.233 0.000 1.076 2113 M CB -0.577 32.303 32.600 0.466 0.000 1.350 2113 M HN 0.246 nan 8.290 nan 0.000 0.401 2114 K N -1.264 119.200 120.400 0.107 0.000 1.985 2114 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 2114 K C 2.104 178.709 176.600 0.009 0.000 1.047 2114 K CA 1.894 58.211 56.287 0.051 0.000 0.932 2114 K CB -0.996 31.553 32.500 0.083 0.000 0.716 2114 K HN 0.496 nan 8.250 nan 0.000 0.439 2115 Y N 1.775 122.073 120.300 -0.003 0.000 2.096 2115 Y HA -0.320 4.230 4.550 -0.000 0.000 0.278 2115 Y C 2.040 177.929 175.900 -0.018 0.000 1.192 2115 Y CA 2.217 60.309 58.100 -0.014 0.000 1.143 2115 Y CB -0.872 37.569 38.460 -0.031 0.000 0.963 2115 Y HN 0.053 nan 8.280 nan 0.000 0.505 2116 V N 0.059 119.710 119.914 -0.438 0.000 2.287 2116 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 2116 V C 2.221 178.134 176.094 -0.300 0.000 1.053 2116 V CA 2.064 64.093 62.300 -0.452 0.000 1.027 2116 V CB -0.959 30.797 31.823 -0.111 0.000 0.646 2116 V HN 0.470 nan 8.190 nan 0.000 0.447 2117 L N 1.802 122.922 121.223 -0.171 0.000 1.971 2117 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 2117 L C 3.063 179.842 176.870 -0.152 0.000 1.072 2117 L CA 3.202 57.959 54.840 -0.138 0.000 0.758 2117 L CB -1.993 39.989 42.059 -0.128 0.000 0.889 2117 L HN 0.770 nan 8.230 nan 0.000 0.433 2118 T N -3.432 111.028 114.554 -0.157 0.000 2.833 2118 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 2118 T C 2.025 176.665 174.700 -0.100 0.000 1.054 2118 T CA 1.358 63.400 62.100 -0.097 0.000 1.135 2118 T CB -0.672 68.160 68.868 -0.060 0.000 0.869 2118 T HN 0.387 nan 8.240 nan 0.000 0.466 2119 S N 2.604 118.125 115.700 -0.298 0.000 2.359 2119 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 2119 S C 2.132 176.763 174.600 0.051 0.000 1.039 2119 S CA 0.871 58.928 58.200 -0.238 0.000 1.042 2119 S CB -0.459 62.414 63.200 -0.546 0.000 0.915 2119 S HN 0.507 nan 8.310 nan 0.000 0.439 2120 R N 1.758 122.252 120.500 -0.009 0.000 2.124 2120 R HA 0.012 4.352 4.340 -0.000 0.000 0.215 2120 R C 2.461 178.802 176.300 0.069 0.000 1.145 2120 R CA 1.208 57.327 56.100 0.032 0.000 0.898 2120 R CB -1.505 28.794 30.300 -0.003 0.000 0.790 2120 R HN 0.547 nan 8.270 nan 0.000 0.458 2121 S N 1.369 117.096 115.700 0.045 0.000 2.521 2121 S HA -0.382 4.088 4.470 -0.000 0.000 0.517 2121 S C 1.696 176.340 174.600 0.074 0.000 0.973 2121 S CA 2.474 60.730 58.200 0.094 0.000 3.182 2121 S CB -1.935 61.339 63.200 0.123 0.000 2.244 2121 S HN 0.721 nan 8.310 nan 0.000 0.529 2122 Y N 2.205 122.501 120.300 -0.007 0.000 2.874 2122 Y HA 0.220 4.769 4.550 -0.000 0.000 0.311 2122 Y C 1.619 177.486 175.900 -0.054 0.000 1.174 2122 Y CA 0.533 58.622 58.100 -0.018 0.000 1.414 2122 Y CB -0.276 38.177 38.460 -0.012 0.000 0.987 2122 Y HN 0.256 nan 8.280 nan 0.000 0.547 2123 L N 0.569 121.457 121.223 -0.559 0.000 2.262 2123 L HA 0.147 4.487 4.340 -0.000 0.000 0.197 2123 L C 1.242 177.854 176.870 -0.431 0.000 1.073 2123 L CA 0.282 54.714 54.840 -0.679 0.000 0.800 2123 L CB -0.300 41.385 42.059 -0.623 0.000 0.987 2123 L HN 0.181 nan 8.230 nan 0.000 0.470 2124 I N 0.219 120.651 120.570 -0.229 0.000 2.938 2124 I HA -0.022 4.148 4.170 -0.000 0.000 0.285 2124 I C -0.182 175.901 176.117 -0.056 0.000 1.182 2124 I CA 0.093 61.343 61.300 -0.084 0.000 1.388 2124 I CB -0.140 37.885 38.000 0.042 0.000 1.390 2124 I HN 0.129 nan 8.210 nan 0.000 0.600 2125 D N 2.934 123.339 120.400 0.007 0.000 2.639 2125 D HA 0.176 4.815 4.640 -0.000 0.000 0.233 2125 D C -0.210 176.089 176.300 -0.002 0.000 1.161 2125 D CA 0.319 54.322 54.000 0.005 0.000 1.003 2125 D CB 0.324 41.151 40.800 0.045 0.000 1.034 2125 D HN 0.335 nan 8.370 nan 0.000 0.514 2126 S N 1.879 117.563 115.700 -0.027 0.000 2.449 2126 S HA 0.500 4.970 4.470 -0.000 0.000 0.310 2126 S C -2.355 172.215 174.600 -0.049 0.000 1.096 2126 S CA -1.400 56.773 58.200 -0.045 0.000 1.095 2126 S CB 1.018 64.163 63.200 -0.091 0.000 1.007 2126 S HN 0.134 nan 8.310 nan 0.000 0.474 2127 P HA 0.257 nan 4.420 nan 0.000 0.269 2127 P C -2.705 174.614 177.300 0.031 0.000 1.209 2127 P CA -1.170 61.947 63.100 0.028 0.000 0.776 2127 P CB -0.614 31.147 31.700 0.102 0.000 0.876 2128 P HA -0.110 nan 4.420 nan 0.000 0.268 2128 P C 0.624 177.917 177.300 -0.013 0.000 1.189 2128 P CA 0.556 63.661 63.100 0.007 0.000 0.771 2128 P CB 0.197 31.869 31.700 -0.047 0.000 0.822 2129 T N -0.794 113.722 114.554 -0.062 0.000 2.614 2129 T HA 0.231 4.581 4.350 -0.000 0.000 0.163 2129 T C 0.404 174.970 174.700 -0.224 0.000 0.806 2129 T CA -0.118 61.833 62.100 -0.249 0.000 1.020 2129 T CB -0.542 68.043 68.868 -0.471 0.000 2.539 2129 T HN 0.219 nan 8.240 nan 0.000 0.380 2130 Y N 3.691 124.023 120.300 0.052 0.000 2.260 2130 Y HA 0.603 5.152 4.550 -0.000 0.000 0.339 2130 Y C 0.949 176.887 175.900 0.064 0.000 1.317 2130 Y CA -0.538 57.599 58.100 0.063 0.000 1.514 2130 Y CB 0.166 38.657 38.460 0.050 0.000 1.382 2130 Y HN 0.880 nan 8.280 nan 0.000 0.581 2131 N N -3.355 115.510 118.700 0.276 0.000 3.364 2131 N HA 0.175 4.915 4.740 -0.000 0.000 0.294 2131 N C -0.184 175.426 175.510 0.167 0.000 1.562 2131 N CA -0.623 52.562 53.050 0.224 0.000 0.862 2131 N CB 0.307 38.948 38.487 0.256 0.000 1.691 2131 N HN 0.315 nan 8.380 nan 0.000 0.572 2132 V N 0.569 120.564 119.914 0.135 0.000 2.218 2132 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 2132 V C 1.869 177.889 176.094 -0.122 0.000 1.057 2132 V CA 2.596 64.833 62.300 -0.105 0.000 1.022 2132 V CB -1.225 30.360 31.823 -0.398 0.000 0.645 2132 V HN 0.757 nan 8.190 nan 0.000 0.451 2133 H N -3.095 116.068 119.070 0.155 0.000 2.547 2133 H HA 0.080 4.636 4.556 -0.000 0.000 0.272 2133 H C -0.226 174.823 175.328 -0.465 0.000 0.989 2133 H CA 0.382 56.345 56.048 -0.142 0.000 1.214 2133 H CB -0.034 29.637 29.762 -0.152 0.000 1.389 2133 H HN 0.471 nan 8.280 nan 0.000 0.577 2134 Y N -0.528 119.816 120.300 0.073 0.000 2.338 2134 Y HA 0.331 4.881 4.550 -0.000 0.000 0.328 2134 Y C 1.078 176.950 175.900 -0.047 0.000 0.965 2134 Y CA -0.813 57.230 58.100 -0.095 0.000 1.208 2134 Y CB 1.977 40.438 38.460 0.002 0.000 1.132 2134 Y HN 0.053 nan 8.280 nan 0.000 0.469 2135 G N 2.419 111.133 108.800 -0.144 0.000 2.838 2135 G HA2 0.004 3.964 3.960 -0.000 0.000 0.210 2135 G HA3 0.004 3.964 3.960 -0.000 0.000 0.210 2135 G C -0.257 174.799 174.900 0.259 0.000 1.153 2135 G CA 0.275 45.348 45.100 -0.045 0.000 0.778 2135 G HN 0.507 nan 8.290 nan 0.000 0.539 2136 Y N -0.849 119.720 120.300 0.449 0.000 2.587 2136 Y HA 0.800 5.350 4.550 -0.000 0.000 0.337 2136 Y C -0.132 175.886 175.900 0.197 0.000 1.065 2136 Y CA -3.401 54.921 58.100 0.370 0.000 1.126 2136 Y CB 0.569 39.161 38.460 0.219 0.000 1.279 2136 Y HN -0.263 nan 8.280 nan 0.000 0.489 2137 K N 1.349 121.890 120.400 0.235 0.000 2.382 2137 K HA 0.491 4.811 4.320 -0.000 0.000 0.275 2137 K C -0.208 176.440 176.600 0.080 0.000 1.009 2137 K CA 0.132 56.397 56.287 -0.037 0.000 0.970 2137 K CB 0.615 33.031 32.500 -0.141 0.000 0.934 2137 K HN 0.878 nan 8.250 nan 0.000 0.479 2138 S N 1.930 117.614 115.700 -0.026 0.000 2.550 2138 S HA 0.195 4.665 4.470 -0.000 0.000 0.270 2138 S C -0.090 174.430 174.600 -0.133 0.000 1.145 2138 S CA -1.051 57.096 58.200 -0.088 0.000 0.852 2138 S CB 0.473 63.559 63.200 -0.190 0.000 1.119 2138 S HN 0.835 nan 8.310 nan 0.000 0.465 2139 W N 2.195 123.404 121.300 -0.152 0.000 2.354 2139 W HA -0.102 4.557 4.660 -0.000 0.000 0.315 2139 W C 1.771 178.233 176.519 -0.095 0.000 1.206 2139 W CA 2.429 59.736 57.345 -0.064 0.000 1.290 2139 W CB -0.545 28.881 29.460 -0.056 0.000 1.152 2139 W HN 1.058 nan 8.180 nan 0.000 0.489 2140 E N 1.121 121.260 120.200 -0.102 0.000 2.136 2140 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 2140 E C 1.940 178.282 176.600 -0.429 0.000 1.019 2140 E CA 2.517 58.791 56.400 -0.209 0.000 0.819 2140 E CB -0.781 28.769 29.700 -0.250 0.000 0.739 2140 E HN 0.182 nan 8.360 nan 0.000 0.458 2141 A N 0.391 122.856 122.820 -0.593 0.000 1.836 2141 A HA -0.133 4.187 4.320 -0.000 0.000 0.212 2141 A C 2.201 179.543 177.584 -0.403 0.000 1.243 2141 A CA 1.537 53.280 52.037 -0.489 0.000 0.620 2141 A CB -1.581 17.209 19.000 -0.350 0.000 0.889 2141 A HN 0.509 nan 8.150 nan 0.000 0.463 2142 F N 1.925 121.565 119.950 -0.518 0.000 2.204 2142 F HA -0.303 4.224 4.527 -0.000 0.000 0.301 2142 F C 2.419 177.836 175.800 -0.639 0.000 1.058 2142 F CA 2.225 59.882 58.000 -0.572 0.000 1.313 2142 F CB -0.163 38.412 39.000 -0.709 0.000 1.051 2142 F HN 0.319 nan 8.300 nan 0.000 0.505 2143 S N -0.347 114.864 115.700 -0.814 0.000 2.327 2143 S HA -0.072 4.398 4.470 -0.000 0.000 0.213 2143 S C 1.053 175.406 174.600 -0.412 0.000 1.032 2143 S CA 0.247 58.047 58.200 -0.666 0.000 0.960 2143 S CB -1.004 61.961 63.200 -0.392 0.000 0.900 2143 S HN 0.389 nan 8.310 nan 0.000 0.469 2144 N N 1.976 120.526 118.700 -0.250 0.000 2.301 2144 N HA -0.003 4.737 4.740 -0.000 0.000 0.267 2144 N C 0.356 175.817 175.510 -0.081 0.000 1.304 2144 N CA 0.267 53.274 53.050 -0.072 0.000 0.851 2144 N CB 0.197 38.742 38.487 0.097 0.000 1.070 2144 N HN 0.467 nan 8.380 nan 0.000 0.483 2145 L N 1.943 123.114 121.223 -0.087 0.000 2.585 2145 L HA 0.012 4.352 4.340 -0.000 0.000 0.226 2145 L C 1.655 178.551 176.870 0.043 0.000 1.113 2145 L CA 0.207 54.948 54.840 -0.166 0.000 0.876 2145 L CB -0.025 41.869 42.059 -0.275 0.000 1.072 2145 L HN 0.474 nan 8.230 nan 0.000 0.468 2146 S N -1.624 114.145 115.700 0.115 0.000 2.496 2146 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 2146 S C 0.651 175.401 174.600 0.250 0.000 0.996 2146 S CA 0.080 58.341 58.200 0.102 0.000 0.927 2146 S CB -0.258 62.922 63.200 -0.033 0.000 0.774 2146 S HN 0.182 nan 8.310 nan 0.000 0.524 2147 Y N 0.639 121.082 120.300 0.238 0.000 2.281 2147 Y HA 0.399 4.948 4.550 -0.000 0.000 0.337 2147 Y C 0.027 176.016 175.900 0.148 0.000 1.304 2147 Y CA -0.581 57.709 58.100 0.317 0.000 1.465 2147 Y CB 0.301 38.930 38.460 0.282 0.000 1.350 2147 Y HN 0.067 nan 8.280 nan 0.000 0.575 2148 Y N -0.049 120.407 120.300 0.260 0.000 2.364 2148 Y HA 0.245 4.795 4.550 -0.000 0.000 0.340 2148 Y C 0.441 176.419 175.900 0.130 0.000 0.975 2148 Y CA -0.976 57.191 58.100 0.112 0.000 1.089 2148 Y CB 1.739 40.202 38.460 0.006 0.000 1.192 2148 Y HN 0.498 nan 8.280 nan 0.000 0.454 2149 T N 4.132 118.848 114.554 0.270 0.000 2.860 2149 T HA 0.356 4.706 4.350 -0.000 0.000 0.299 2149 T C -0.245 174.542 174.700 0.146 0.000 1.045 2149 T CA -0.472 61.734 62.100 0.176 0.000 1.071 2149 T CB 0.288 69.225 68.868 0.115 0.000 0.985 2149 T HN 0.511 nan 8.240 nan 0.000 0.537 2150 R N 2.648 123.245 120.500 0.162 0.000 2.439 2150 R HA 0.495 4.835 4.340 -0.000 0.000 0.310 2150 R C 0.985 177.430 176.300 0.242 0.000 0.955 2150 R CA -0.358 55.825 56.100 0.138 0.000 0.853 2150 R CB 1.391 31.719 30.300 0.046 0.000 1.171 2150 R HN 0.813 nan 8.270 nan 0.000 0.449 2151 A N 4.045 127.075 122.820 0.350 0.000 2.076 2151 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 2151 A C 0.714 178.474 177.584 0.292 0.000 1.160 2151 A CA 1.206 53.520 52.037 0.462 0.000 0.653 2151 A CB 0.100 19.611 19.000 0.851 0.000 0.801 2151 A HN 0.511 nan 8.150 nan 0.000 0.455 2152 L N -0.352 120.986 121.223 0.192 0.000 2.445 2152 L HA 0.352 4.692 4.340 -0.000 0.000 0.262 2152 L C -2.634 174.116 176.870 -0.200 0.000 0.974 2152 L CA -2.453 52.324 54.840 -0.105 0.000 0.822 2152 L CB 2.862 44.672 42.059 -0.415 0.000 1.339 2152 L HN -0.054 nan 8.230 nan 0.000 0.409 2153 P HA 0.135 nan 4.420 nan 0.000 0.269 2153 P C -2.679 174.472 177.300 -0.248 0.000 1.215 2153 P CA -0.906 61.927 63.100 -0.446 0.000 0.780 2153 P CB -0.055 31.227 31.700 -0.697 0.000 0.898 2154 P HA 0.097 nan 4.420 nan 0.000 0.302 2154 P C -0.621 176.617 177.300 -0.104 0.000 1.301 2154 P CA -0.128 62.900 63.100 -0.120 0.000 0.745 2154 P CB 0.379 32.019 31.700 -0.101 0.000 1.331 2155 V N -0.994 118.885 119.914 -0.059 0.000 2.495 2155 V HA 0.488 4.608 4.120 -0.000 0.000 0.298 2155 V C 0.485 176.559 176.094 -0.034 0.000 1.031 2155 V CA -1.266 61.007 62.300 -0.045 0.000 0.871 2155 V CB 0.669 32.483 31.823 -0.016 0.000 0.988 2155 V HN 0.717 nan 8.190 nan 0.000 0.432 2156 A N 2.576 125.376 122.820 -0.033 0.000 2.580 2156 A HA 0.029 4.349 4.320 -0.000 0.000 0.244 2156 A C 1.058 178.641 177.584 -0.001 0.000 1.045 2156 A CA 0.063 52.090 52.037 -0.017 0.000 0.761 2156 A CB -0.201 18.798 19.000 -0.002 0.000 0.962 2156 A HN 0.906 nan 8.150 nan 0.000 0.512 2157 D N 1.380 121.783 120.400 0.005 0.000 2.351 2157 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 2157 D C 1.326 177.639 176.300 0.021 0.000 0.968 2157 D CA 1.489 55.499 54.000 0.016 0.000 0.899 2157 D CB 0.077 40.891 40.800 0.022 0.000 0.907 2157 D HN 0.830 nan 8.370 nan 0.000 0.514 2158 D N -0.021 120.393 120.400 0.024 0.000 2.348 2158 D HA -0.089 4.551 4.640 -0.000 0.000 0.211 2158 D C 0.373 176.688 176.300 0.026 0.000 0.998 2158 D CA -0.169 53.850 54.000 0.032 0.000 0.873 2158 D CB -0.164 40.664 40.800 0.046 0.000 0.925 2158 D HN -0.019 nan 8.370 nan 0.000 0.524 2159 c N 2.462 121.072 118.600 0.017 0.000 2.702 2159 c HA 0.074 4.644 4.570 -0.000 0.000 0.411 2159 c C -0.266 173.831 174.090 0.012 0.000 1.286 2159 c CA -0.981 55.353 56.329 0.010 0.000 1.979 2159 c CB 1.273 43.783 42.510 0.001 0.000 2.728 2159 c HN 0.354 nan 8.230 nan 0.000 0.652 2160 P HA -0.028 nan 4.420 nan 0.000 0.214 2160 P C 0.430 177.737 177.300 0.011 0.000 1.162 2160 P CA 1.553 64.659 63.100 0.011 0.000 0.871 2160 P CB -0.171 31.534 31.700 0.008 0.000 0.783 2161 T N -4.058 110.502 114.554 0.011 0.000 2.888 2161 T HA 0.428 4.777 4.350 -0.000 0.000 0.284 2161 T C -2.179 172.534 174.700 0.020 0.000 1.017 2161 T CA -2.363 59.746 62.100 0.015 0.000 1.022 2161 T CB 1.810 70.688 68.868 0.017 0.000 1.013 2161 T HN -0.264 nan 8.240 nan 0.000 0.465 2162 P HA -0.090 nan 4.420 nan 0.000 0.218 2162 P C 0.874 178.204 177.300 0.051 0.000 1.147 2162 P CA 1.252 64.375 63.100 0.038 0.000 0.827 2162 P CB 0.036 31.760 31.700 0.039 0.000 0.778 2163 M N -2.349 117.279 119.600 0.048 0.000 2.673 2163 M HA 0.336 4.816 4.480 -0.000 0.000 0.334 2163 M C 1.270 177.581 176.300 0.019 0.000 1.211 2163 M CA 0.285 55.615 55.300 0.051 0.000 0.962 2163 M CB -0.117 32.526 32.600 0.071 0.000 1.343 2163 M HN 0.110 nan 8.290 nan 0.000 0.511 2164 G N 0.752 109.557 108.800 0.009 0.000 5.064 2164 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.277 2164 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.277 2164 G C 0.471 175.368 174.900 -0.006 0.000 1.580 2164 G CA 0.709 45.804 45.100 -0.009 0.000 1.109 2164 G HN 0.404 nan 8.290 nan 0.000 0.695 2165 V N -2.594 117.316 119.914 -0.007 0.000 3.165 2165 V HA 0.483 4.603 4.120 -0.000 0.000 0.231 2165 V C 0.988 177.086 176.094 0.008 0.000 1.365 2165 V CA 1.046 63.344 62.300 -0.004 0.000 1.286 2165 V CB -0.203 31.610 31.823 -0.016 0.000 1.081 2165 V HN 0.423 nan 8.190 nan 0.000 0.477 2166 K N 2.178 122.585 120.400 0.012 0.000 2.412 2166 K HA 0.512 4.831 4.320 -0.000 0.000 0.281 2166 K C 0.496 177.121 176.600 0.042 0.000 1.027 2166 K CA 1.180 57.483 56.287 0.027 0.000 0.989 2166 K CB 0.470 32.988 32.500 0.030 0.000 0.935 2166 K HN 0.847 nan 8.250 nan 0.000 0.475 2167 G N 2.187 111.015 108.800 0.046 0.000 2.422 2167 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.607 2167 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.607 2167 G C -1.076 173.841 174.900 0.028 0.000 1.270 2167 G CA -0.938 44.191 45.100 0.049 0.000 0.992 2167 G HN 0.595 nan 8.290 nan 0.000 0.499 2168 N N -0.481 118.228 118.700 0.015 0.000 2.530 2168 N HA 0.320 5.060 4.740 -0.000 0.000 0.283 2168 N C 1.181 176.692 175.510 0.002 0.000 1.238 2168 N CA -0.469 52.583 53.050 0.004 0.000 0.971 2168 N CB 1.247 39.729 38.487 -0.008 0.000 1.195 2168 N HN 0.565 nan 8.380 nan 0.000 0.583 2169 K N 0.404 120.804 120.400 -0.000 0.000 2.362 2169 K HA -0.131 4.188 4.320 -0.000 0.000 0.202 2169 K C -0.017 176.582 176.600 -0.002 0.000 1.045 2169 K CA 1.424 57.711 56.287 0.001 0.000 0.936 2169 K CB 0.106 32.605 32.500 -0.000 0.000 0.747 2169 K HN 0.485 nan 8.250 nan 0.000 0.467 2170 E N -1.771 118.422 120.200 -0.012 0.000 2.408 2170 E HA 0.390 4.739 4.350 -0.000 0.000 0.266 2170 E C -1.404 175.169 176.600 -0.045 0.000 1.025 2170 E CA -0.818 55.570 56.400 -0.020 0.000 0.881 2170 E CB 1.344 31.030 29.700 -0.023 0.000 1.660 2170 E HN -0.199 nan 8.360 nan 0.000 0.458 2171 L N 1.996 123.180 121.223 -0.063 0.000 2.333 2171 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 2171 L C -2.200 174.567 176.870 -0.171 0.000 1.010 2171 L CA -1.976 52.783 54.840 -0.134 0.000 0.818 2171 L CB 1.307 43.314 42.059 -0.088 0.000 1.306 2171 L HN 0.483 nan 8.230 nan 0.000 0.430 2172 P HA -0.062 nan 4.420 nan 0.000 0.263 2172 P C -0.496 176.732 177.300 -0.121 0.000 1.168 2172 P CA 0.041 62.997 63.100 -0.240 0.000 0.759 2172 P CB 0.419 31.880 31.700 -0.397 0.000 0.782 2173 D N 1.977 122.337 120.400 -0.068 0.000 2.449 2173 D HA -0.066 4.573 4.640 -0.000 0.000 0.236 2173 D C 1.020 177.314 176.300 -0.010 0.000 1.149 2173 D CA 0.324 54.306 54.000 -0.031 0.000 0.878 2173 D CB 0.914 41.701 40.800 -0.021 0.000 1.198 2173 D HN 0.332 nan 8.370 nan 0.000 0.446 2174 S N 3.883 119.588 115.700 0.009 0.000 2.357 2174 S HA -0.184 4.286 4.470 -0.000 0.000 0.221 2174 S C 1.854 176.473 174.600 0.033 0.000 1.031 2174 S CA 0.795 59.017 58.200 0.036 0.000 0.982 2174 S CB -0.241 62.984 63.200 0.042 0.000 0.853 2174 S HN 0.669 nan 8.310 nan 0.000 0.458 2175 K N 1.456 121.866 120.400 0.017 0.000 2.052 2175 K HA -0.248 4.072 4.320 -0.000 0.000 0.215 2175 K C 2.039 178.646 176.600 0.013 0.000 1.053 2175 K CA 1.994 58.287 56.287 0.010 0.000 0.934 2175 K CB -0.330 32.171 32.500 0.002 0.000 0.717 2175 K HN 0.527 nan 8.250 nan 0.000 0.450 2176 E N 0.161 120.367 120.200 0.011 0.000 1.983 2176 E HA -0.210 4.139 4.350 -0.000 0.000 0.208 2176 E C 2.102 178.720 176.600 0.029 0.000 1.006 2176 E CA 1.669 58.076 56.400 0.013 0.000 0.872 2176 E CB -0.746 28.958 29.700 0.006 0.000 0.806 2176 E HN 0.163 nan 8.360 nan 0.000 0.510 2177 V N 2.540 122.487 119.914 0.056 0.000 2.277 2177 V HA -0.358 3.762 4.120 -0.000 0.000 0.261 2177 V C 2.588 178.716 176.094 0.057 0.000 1.091 2177 V CA 2.418 64.772 62.300 0.091 0.000 1.090 2177 V CB -1.141 30.777 31.823 0.158 0.000 0.704 2177 V HN 0.343 nan 8.190 nan 0.000 0.455 2178 L N -0.323 120.931 121.223 0.051 0.000 1.976 2178 L HA -0.337 4.003 4.340 -0.000 0.000 0.223 2178 L C 2.785 179.664 176.870 0.015 0.000 1.081 2178 L CA 2.783 57.645 54.840 0.037 0.000 0.784 2178 L CB -0.359 41.718 42.059 0.030 0.000 0.896 2178 L HN 0.534 nan 8.230 nan 0.000 0.438 2179 E N -0.545 119.660 120.200 0.009 0.000 2.005 2179 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 2179 E C 1.946 178.545 176.600 -0.002 0.000 0.987 2179 E CA 0.761 57.160 56.400 -0.002 0.000 0.814 2179 E CB -0.191 29.506 29.700 -0.005 0.000 0.772 2179 E HN 0.280 nan 8.360 nan 0.000 0.453 2180 K N 0.587 120.989 120.400 0.004 0.000 2.397 2180 K HA -0.184 4.135 4.320 -0.000 0.000 0.202 2180 K C 1.578 178.178 176.600 -0.000 0.000 1.043 2180 K CA 1.728 58.017 56.287 0.003 0.000 0.934 2180 K CB -0.089 32.420 32.500 0.016 0.000 0.743 2180 K HN 0.318 nan 8.250 nan 0.000 0.485 2181 V N -5.652 114.261 119.914 -0.000 0.000 3.968 2181 V HA 0.084 4.203 4.120 -0.000 0.000 0.298 2181 V C 1.138 177.216 176.094 -0.027 0.000 1.699 2181 V CA -0.273 62.019 62.300 -0.014 0.000 1.282 2181 V CB -0.520 31.299 31.823 -0.006 0.000 0.994 2181 V HN -0.031 nan 8.190 nan 0.000 0.402 2182 L N -0.032 121.180 121.223 -0.018 0.000 2.488 2182 L HA 0.466 4.805 4.340 -0.000 0.000 0.186 2182 L C 0.862 177.718 176.870 -0.023 0.000 1.124 2182 L CA 0.134 54.959 54.840 -0.025 0.000 0.838 2182 L CB 0.015 42.071 42.059 -0.006 0.000 1.107 2182 L HN 0.158 nan 8.230 nan 0.000 0.494 2183 L N 2.045 123.259 121.223 -0.016 0.000 2.615 2183 L HA -0.095 4.245 4.340 -0.000 0.000 0.284 2183 L C 0.886 177.736 176.870 -0.034 0.000 1.237 2183 L CA 0.487 55.313 54.840 -0.024 0.000 0.905 2183 L CB -0.135 41.908 42.059 -0.026 0.000 1.149 2183 L HN 0.210 nan 8.230 nan 0.000 0.499 2184 R N 4.274 124.751 120.500 -0.038 0.000 2.401 2184 R HA 0.125 4.465 4.340 -0.000 0.000 0.299 2184 R C 0.635 176.915 176.300 -0.034 0.000 1.064 2184 R CA -0.422 55.650 56.100 -0.046 0.000 1.000 2184 R CB 0.620 30.890 30.300 -0.049 0.000 0.973 2184 R HN 0.653 nan 8.270 nan 0.000 0.438 2185 R N 3.424 123.906 120.500 -0.031 0.000 2.005 2185 R HA 0.096 4.436 4.340 -0.000 0.000 0.213 2185 R C 0.122 176.420 176.300 -0.004 0.000 1.308 2185 R CA 0.468 56.555 56.100 -0.022 0.000 1.022 2185 R CB -0.388 29.897 30.300 -0.024 0.000 0.883 2185 R HN 0.611 nan 8.270 nan 0.000 0.470 2186 E N 1.461 121.661 120.200 -0.001 0.000 2.146 2186 E HA 0.121 4.471 4.350 -0.000 0.000 0.282 2186 E C -1.135 175.503 176.600 0.062 0.000 0.989 2186 E CA -0.687 55.732 56.400 0.032 0.000 0.799 2186 E CB 0.754 30.464 29.700 0.017 0.000 1.088 2186 E HN 0.002 nan 8.360 nan 0.000 0.397 2187 F N 5.070 124.988 119.950 -0.054 0.000 2.612 2187 F HA 0.026 4.552 4.527 -0.000 0.000 0.389 2187 F C -0.613 175.153 175.800 -0.056 0.000 1.055 2187 F CA 0.260 58.227 58.000 -0.055 0.000 1.232 2187 F CB 0.181 39.147 39.000 -0.057 0.000 1.044 2187 F HN 0.319 nan 8.300 nan 0.000 0.560 2188 I N 9.088 129.283 120.570 -0.625 0.000 2.339 2188 I HA 0.318 4.487 4.170 -0.000 0.000 0.290 2188 I C -2.127 173.516 176.117 -0.789 0.000 0.994 2188 I CA -2.115 58.911 61.300 -0.457 0.000 1.191 2188 I CB 1.321 39.127 38.000 -0.322 0.000 1.343 2188 I HN 0.470 nan 8.210 nan 0.000 0.458 2189 P HA 0.110 nan 4.420 nan 0.000 0.281 2189 P C -1.056 176.136 177.300 -0.179 0.000 1.249 2189 P CA -0.364 62.691 63.100 -0.076 0.000 0.810 2189 P CB 1.039 32.886 31.700 0.246 0.000 1.008 2190 D N 3.594 123.884 120.400 -0.184 0.000 2.371 2190 D HA 0.060 4.700 4.640 -0.000 0.000 0.256 2190 D C -1.208 174.990 176.300 -0.170 0.000 1.193 2190 D CA -1.771 52.084 54.000 -0.241 0.000 0.881 2190 D CB 0.432 41.046 40.800 -0.311 0.000 1.143 2190 D HN 0.148 nan 8.370 nan 0.000 0.473 2191 P HA -0.209 nan 4.420 nan 0.000 0.219 2191 P C 0.765 177.987 177.300 -0.130 0.000 1.146 2191 P CA 1.189 64.213 63.100 -0.126 0.000 0.808 2191 P CB 0.126 31.750 31.700 -0.128 0.000 0.779 2192 Q N -1.134 118.549 119.800 -0.195 0.000 2.437 2192 Q HA 0.055 4.395 4.340 -0.000 0.000 0.210 2192 Q C 1.450 177.401 176.000 -0.082 0.000 0.972 2192 Q CA 1.050 56.728 55.803 -0.209 0.000 0.903 2192 Q CB -0.459 28.040 28.738 -0.398 0.000 0.967 2192 Q HN 0.344 nan 8.270 nan 0.000 0.486 2193 G N 1.006 109.776 108.800 -0.050 0.000 2.157 2193 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 2193 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 2193 G C 0.040 174.966 174.900 0.043 0.000 0.979 2193 G CA 0.201 45.316 45.100 0.025 0.000 0.650 2193 G HN 0.277 nan 8.290 nan 0.000 0.529 2194 S N 1.755 117.437 115.700 -0.030 0.000 2.752 2194 S HA 0.258 4.728 4.470 -0.000 0.000 0.329 2194 S C 1.077 175.654 174.600 -0.039 0.000 1.204 2194 S CA 0.572 58.676 58.200 -0.160 0.000 1.252 2194 S CB -0.139 62.792 63.200 -0.447 0.000 1.053 2194 S HN 0.920 nan 8.310 nan 0.000 0.533 2195 N N 3.157 121.892 118.700 0.057 0.000 2.328 2195 N HA 0.198 4.938 4.740 -0.000 0.000 0.277 2195 N C 1.032 176.652 175.510 0.183 0.000 1.286 2195 N CA -0.576 52.559 53.050 0.141 0.000 0.949 2195 N CB 0.073 38.671 38.487 0.185 0.000 1.136 2195 N HN 0.198 nan 8.380 nan 0.000 0.550 2196 M N -1.020 118.696 119.600 0.192 0.000 2.229 2196 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 2196 M C 1.465 177.867 176.300 0.170 0.000 1.063 2196 M CA 1.138 56.478 55.300 0.066 0.000 1.114 2196 M CB -1.043 31.562 32.600 0.009 0.000 1.387 2196 M HN 0.544 nan 8.290 nan 0.000 0.420 2197 M N -0.155 119.665 119.600 0.366 0.000 2.399 2197 M HA -0.249 4.231 4.480 -0.000 0.000 0.263 2197 M C 2.246 178.985 176.300 0.732 0.000 1.067 2197 M CA 1.812 57.438 55.300 0.543 0.000 1.084 2197 M CB -1.743 31.138 32.600 0.470 0.000 1.252 2197 M HN 0.268 nan 8.290 nan 0.000 0.454 2198 F N 0.545 120.822 119.950 0.545 0.000 2.039 2198 F HA -0.369 4.158 4.527 -0.000 0.000 0.296 2198 F C 2.181 178.100 175.800 0.198 0.000 1.119 2198 F CA 2.777 60.871 58.000 0.157 0.000 1.211 2198 F CB -0.659 38.255 39.000 -0.142 0.000 0.956 2198 F HN 0.246 nan 8.300 nan 0.000 0.496 2199 A N 0.593 123.762 122.820 0.582 0.000 1.863 2199 A HA -0.294 4.025 4.320 -0.000 0.000 0.218 2199 A C 2.052 179.774 177.584 0.230 0.000 1.233 2199 A CA 2.289 54.534 52.037 0.348 0.000 0.655 2199 A CB -1.755 17.260 19.000 0.025 0.000 0.839 2199 A HN 0.485 nan 8.150 nan 0.000 0.454 2200 F N -1.320 118.807 119.950 0.296 0.000 2.192 2200 F HA -0.124 4.403 4.527 -0.000 0.000 0.301 2200 F C 1.942 177.995 175.800 0.422 0.000 1.079 2200 F CA 0.981 59.157 58.000 0.295 0.000 1.303 2200 F CB -0.945 38.172 39.000 0.196 0.000 1.024 2200 F HN 0.365 nan 8.300 nan 0.000 0.494 2201 F N 0.353 120.610 119.950 0.511 0.000 1.990 2201 F HA -0.110 4.417 4.527 -0.000 0.000 0.294 2201 F C 2.538 178.392 175.800 0.090 0.000 1.177 2201 F CA 1.710 59.691 58.000 -0.032 0.000 1.167 2201 F CB -0.933 38.065 39.000 -0.005 0.000 0.971 2201 F HN -0.093 nan 8.300 nan 0.000 0.483 2202 A N 0.129 123.308 122.820 0.598 0.000 1.935 2202 A HA -0.469 3.851 4.320 -0.000 0.000 0.224 2202 A C 2.052 179.826 177.584 0.317 0.000 1.324 2202 A CA 2.854 55.253 52.037 0.602 0.000 0.686 2202 A CB -1.654 17.591 19.000 0.409 0.000 0.837 2202 A HN 0.752 nan 8.150 nan 0.000 0.481 2203 Q N -1.379 118.579 119.800 0.263 0.000 1.975 2203 Q HA -0.279 4.061 4.340 -0.000 0.000 0.205 2203 Q C 2.153 178.081 176.000 -0.121 0.000 0.990 2203 Q CA 2.361 58.233 55.803 0.115 0.000 0.845 2203 Q CB -0.572 28.260 28.738 0.156 0.000 0.913 2203 Q HN 0.830 nan 8.270 nan 0.000 0.420 2204 H N -0.571 118.364 119.070 -0.225 0.000 2.265 2204 H HA -0.205 4.351 4.556 -0.000 0.000 0.295 2204 H C 1.950 177.075 175.328 -0.338 0.000 1.084 2204 H CA 2.105 57.919 56.048 -0.390 0.000 1.261 2204 H CB -0.668 28.879 29.762 -0.359 0.000 1.360 2204 H HN 0.470 nan 8.280 nan 0.000 0.487 2205 F N 2.291 122.006 119.950 -0.392 0.000 2.011 2205 F HA -0.265 4.262 4.527 -0.000 0.000 0.296 2205 F C 2.930 178.323 175.800 -0.679 0.000 1.144 2205 F CA 3.137 60.823 58.000 -0.523 0.000 1.185 2205 F CB -1.253 37.504 39.000 -0.404 0.000 0.961 2205 F HN 0.321 nan 8.300 nan 0.000 0.485 2206 T N -2.540 111.521 114.554 -0.822 0.000 2.969 2206 T HA -0.281 4.069 4.350 -0.000 0.000 0.271 2206 T C 1.525 175.428 174.700 -1.328 0.000 1.127 2206 T CA 1.828 63.031 62.100 -1.495 0.000 1.102 2206 T CB -1.094 67.500 68.868 -0.457 0.000 0.855 2206 T HN 0.474 nan 8.240 nan 0.000 0.536 2207 H N 1.680 120.215 119.070 -0.892 0.000 2.556 2207 H HA 0.131 4.687 4.556 -0.000 0.000 0.268 2207 H C 2.314 177.283 175.328 -0.597 0.000 0.996 2207 H CA 0.793 56.517 56.048 -0.539 0.000 1.157 2207 H CB -0.054 29.681 29.762 -0.045 0.000 1.355 2207 H HN 0.787 nan 8.280 nan 0.000 0.597 2208 Q N -0.885 118.433 119.800 -0.803 0.000 2.159 2208 Q HA -0.032 4.308 4.340 -0.000 0.000 0.194 2208 Q C 1.418 177.162 176.000 -0.426 0.000 0.968 2208 Q CA 0.753 56.293 55.803 -0.438 0.000 0.837 2208 Q CB -0.513 28.166 28.738 -0.097 0.000 0.920 2208 Q HN 0.349 nan 8.270 nan 0.000 0.485 2209 F N 1.676 121.294 119.950 -0.555 0.000 2.051 2209 F HA 0.045 4.572 4.527 -0.000 0.000 0.296 2209 F C 0.839 176.330 175.800 -0.515 0.000 1.122 2209 F CA -0.259 57.377 58.000 -0.607 0.000 1.201 2209 F CB -1.418 37.086 39.000 -0.827 0.000 0.978 2209 F HN -0.144 nan 8.300 nan 0.000 0.472 2210 F N 1.503 121.289 119.950 -0.272 0.000 2.504 2210 F HA 0.424 4.951 4.527 -0.000 0.000 0.369 2210 F C 0.744 176.353 175.800 -0.319 0.000 1.082 2210 F CA -0.673 57.209 58.000 -0.196 0.000 1.216 2210 F CB 0.248 38.996 39.000 -0.421 0.000 1.108 2210 F HN 0.021 nan 8.300 nan 0.000 0.554 2211 K N 0.623 121.026 120.400 0.005 0.000 3.118 2211 K HA 0.048 4.368 4.320 -0.000 0.000 0.157 2211 K C -0.591 175.968 176.600 -0.068 0.000 1.043 2211 K CA -0.175 56.034 56.287 -0.129 0.000 1.073 2211 K CB 0.547 32.932 32.500 -0.192 0.000 0.685 2211 K HN 0.652 nan 8.250 nan 0.000 0.390 2212 T N 1.975 116.557 114.554 0.047 0.000 2.657 2212 T HA -0.184 4.166 4.350 -0.000 0.000 0.245 2212 T C -0.043 174.516 174.700 -0.235 0.000 1.021 2212 T CA 0.820 62.901 62.100 -0.032 0.000 1.155 2212 T CB 0.039 68.825 68.868 -0.137 0.000 1.022 2212 T HN 0.181 nan 8.240 nan 0.000 0.477 2213 D N 1.399 121.713 120.400 -0.144 0.000 2.428 2213 D HA 0.195 4.835 4.640 -0.000 0.000 0.221 2213 D C 0.812 177.064 176.300 -0.081 0.000 1.123 2213 D CA -0.525 53.427 54.000 -0.080 0.000 0.869 2213 D CB 0.481 41.266 40.800 -0.024 0.000 1.032 2213 D HN 0.592 nan 8.370 nan 0.000 0.506 2214 H N 2.525 121.638 119.070 0.072 0.000 2.428 2214 H HA -0.024 4.532 4.556 -0.000 0.000 0.296 2214 H C 1.688 177.060 175.328 0.075 0.000 1.062 2214 H CA 1.037 57.129 56.048 0.074 0.000 1.350 2214 H CB 0.418 30.207 29.762 0.045 0.000 1.403 2214 H HN 0.352 nan 8.280 nan 0.000 0.533 2215 K N 0.808 121.299 120.400 0.151 0.000 2.113 2215 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 2215 K C 1.948 178.600 176.600 0.086 0.000 1.047 2215 K CA 1.254 57.596 56.287 0.091 0.000 0.928 2215 K CB -0.106 32.420 32.500 0.045 0.000 0.716 2215 K HN 0.378 nan 8.250 nan 0.000 0.446 2216 R N 0.246 120.805 120.500 0.099 0.000 2.052 2216 R HA 0.043 4.383 4.340 -0.000 0.000 0.224 2216 R C 1.094 177.632 176.300 0.396 0.000 1.149 2216 R CA 1.018 57.192 56.100 0.124 0.000 0.962 2216 R CB 0.307 30.578 30.300 -0.047 0.000 0.856 2216 R HN 0.332 nan 8.270 nan 0.000 0.433 2217 G N -1.805 107.236 108.800 0.402 0.000 2.320 2217 G HA2 0.057 4.017 3.960 -0.000 0.000 0.297 2217 G HA3 0.057 4.017 3.960 -0.000 0.000 0.297 2217 G C -2.667 172.224 174.900 -0.015 0.000 1.344 2217 G CA -0.955 44.262 45.100 0.194 0.000 0.851 2217 G HN -0.189 nan 8.290 nan 0.000 0.567 2218 P HA 0.077 nan 4.420 nan 0.000 0.217 2218 P C 1.906 179.112 177.300 -0.157 0.000 1.151 2218 P CA 1.716 64.752 63.100 -0.106 0.000 0.828 2218 P CB 0.119 31.783 31.700 -0.059 0.000 0.788 2219 G N -1.586 106.982 108.800 -0.386 0.000 2.598 2219 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.215 2219 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.215 2219 G C 0.128 174.894 174.900 -0.223 0.000 1.131 2219 G CA -0.021 44.847 45.100 -0.387 0.000 0.785 2219 G HN 0.202 nan 8.290 nan 0.000 0.539 2220 F N 0.465 120.449 119.950 0.057 0.000 2.404 2220 F HA 0.500 5.027 4.527 -0.000 0.000 0.339 2220 F C 0.758 176.413 175.800 -0.242 0.000 1.105 2220 F CA -0.957 56.973 58.000 -0.118 0.000 1.087 2220 F CB 1.837 40.720 39.000 -0.196 0.000 1.143 2220 F HN -0.158 nan 8.300 nan 0.000 0.491 2221 T N 1.328 115.615 114.554 -0.444 0.000 2.944 2221 T HA 0.385 4.735 4.350 -0.000 0.000 0.284 2221 T C 0.706 175.253 174.700 -0.256 0.000 1.010 2221 T CA -0.564 61.156 62.100 -0.634 0.000 1.025 2221 T CB 1.538 69.659 68.868 -1.246 0.000 1.079 2221 T HN 0.788 nan 8.240 nan 0.000 0.516 2222 R N 0.713 121.088 120.500 -0.207 0.000 2.373 2222 R HA 0.265 4.604 4.340 -0.000 0.000 0.221 2222 R C 1.146 177.371 176.300 -0.126 0.000 0.893 2222 R CA -0.043 55.978 56.100 -0.131 0.000 1.049 2222 R CB 0.435 30.670 30.300 -0.109 0.000 1.119 2222 R HN 0.746 nan 8.270 nan 0.000 0.535 2223 G N 1.133 109.831 108.800 -0.171 0.000 2.770 2223 G HA2 0.200 4.160 3.960 -0.000 0.000 0.307 2223 G HA3 0.200 4.160 3.960 -0.000 0.000 0.307 2223 G C 0.628 175.506 174.900 -0.036 0.000 0.863 2223 G CA -0.358 44.663 45.100 -0.132 0.000 1.595 2223 G HN 0.124 nan 8.290 nan 0.000 0.496 2224 L N 2.060 123.299 121.223 0.027 0.000 2.362 2224 L HA 0.006 4.345 4.340 -0.000 0.000 0.219 2224 L C 2.860 179.814 176.870 0.141 0.000 1.134 2224 L CA 0.881 55.800 54.840 0.132 0.000 0.807 2224 L CB -0.022 42.026 42.059 -0.018 0.000 0.927 2224 L HN 0.510 nan 8.230 nan 0.000 0.447 2225 G N -1.607 107.225 108.800 0.053 0.000 2.479 2225 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 2225 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 2225 G C 0.620 175.566 174.900 0.078 0.000 1.115 2225 G CA 0.295 45.409 45.100 0.022 0.000 0.757 2225 G HN 0.654 nan 8.290 nan 0.000 0.560 2226 H N -0.148 118.848 119.070 -0.123 0.000 2.557 2226 H HA -0.159 4.396 4.556 -0.000 0.000 0.319 2226 H C 1.142 176.372 175.328 -0.163 0.000 1.102 2226 H CA 0.627 56.591 56.048 -0.140 0.000 1.126 2226 H CB -1.318 28.357 29.762 -0.146 0.000 1.498 2226 H HN 0.846 nan 8.280 nan 0.000 0.411 2227 G N -1.560 107.185 108.800 -0.092 0.000 2.341 2227 G HA2 0.152 4.112 3.960 -0.000 0.000 0.293 2227 G HA3 0.152 4.112 3.960 -0.000 0.000 0.293 2227 G C -0.653 174.197 174.900 -0.085 0.000 1.298 2227 G CA -0.477 44.510 45.100 -0.187 0.000 0.868 2227 G HN 0.263 nan 8.290 nan 0.000 0.540 2228 V N 1.679 121.527 119.914 -0.110 0.000 2.415 2228 V HA 0.292 4.412 4.120 -0.000 0.000 0.252 2228 V C 0.614 176.732 176.094 0.039 0.000 1.043 2228 V CA 1.249 63.572 62.300 0.037 0.000 1.149 2228 V CB 0.069 31.941 31.823 0.082 0.000 1.143 2228 V HN 0.853 nan 8.190 nan 0.000 0.478 2229 D N 3.491 123.913 120.400 0.036 0.000 2.556 2229 D HA 0.092 4.731 4.640 -0.000 0.000 0.237 2229 D C 0.709 177.002 176.300 -0.011 0.000 1.296 2229 D CA -0.525 53.484 54.000 0.015 0.000 0.807 2229 D CB -0.240 40.560 40.800 -0.000 0.000 1.084 2229 D HN 0.379 nan 8.370 nan 0.000 0.510 2230 L N 0.826 121.994 121.223 -0.092 0.000 3.781 2230 L HA -0.363 3.977 4.340 -0.000 0.000 0.426 2230 L C 1.033 177.647 176.870 -0.426 0.000 1.197 2230 L CA 0.696 55.258 54.840 -0.464 0.000 0.907 2230 L CB -2.287 39.570 42.059 -0.338 0.000 1.812 2230 L HN 0.288 nan 8.230 nan 0.000 0.956 2231 N N 0.528 119.099 118.700 -0.215 0.000 2.453 2231 N HA -0.189 4.551 4.740 -0.000 0.000 0.183 2231 N C 1.476 176.831 175.510 -0.259 0.000 1.041 2231 N CA 1.728 54.692 53.050 -0.142 0.000 0.900 2231 N CB -0.291 38.142 38.487 -0.090 0.000 0.961 2231 N HN 0.768 nan 8.380 nan 0.000 0.443 2232 H N -1.814 117.067 119.070 -0.316 0.000 2.524 2232 H HA 0.221 4.777 4.556 -0.000 0.000 0.282 2232 H C 1.467 176.544 175.328 -0.417 0.000 1.016 2232 H CA 0.950 56.706 56.048 -0.486 0.000 1.270 2232 H CB -0.134 29.241 29.762 -0.645 0.000 1.394 2232 H HN 0.302 nan 8.280 nan 0.000 0.568 2233 I N -0.709 119.417 120.570 -0.739 0.000 3.081 2233 I HA -0.045 4.125 4.170 -0.000 0.000 0.274 2233 I C 0.669 176.395 176.117 -0.652 0.000 1.178 2233 I CA 0.359 61.229 61.300 -0.716 0.000 1.460 2233 I CB 0.258 37.581 38.000 -1.129 0.000 1.137 2233 I HN 0.178 nan 8.210 nan 0.000 0.443 2234 Y N 0.908 121.074 120.300 -0.223 0.000 2.557 2234 Y HA 0.561 5.111 4.550 -0.000 0.000 0.247 2234 Y C 1.083 176.909 175.900 -0.124 0.000 1.164 2234 Y CA -0.303 57.719 58.100 -0.129 0.000 1.218 2234 Y CB 0.050 38.476 38.460 -0.056 0.000 1.210 2234 Y HN 0.081 nan 8.280 nan 0.000 0.529 2235 G N 0.739 109.509 108.800 -0.051 0.000 2.758 2235 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.686 2235 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.686 2235 G C 0.366 175.228 174.900 -0.064 0.000 1.389 2235 G CA -0.135 44.918 45.100 -0.078 0.000 0.845 2235 G HN 0.198 nan 8.290 nan 0.000 0.572 2236 E N -0.533 119.617 120.200 -0.083 0.000 2.075 2236 E HA 0.031 4.381 4.350 -0.000 0.000 0.190 2236 E C 1.945 178.506 176.600 -0.066 0.000 0.969 2236 E CA 1.477 57.833 56.400 -0.072 0.000 0.815 2236 E CB -0.058 29.593 29.700 -0.082 0.000 0.776 2236 E HN 0.913 nan 8.360 nan 0.000 0.457 2237 T N -1.322 113.189 114.554 -0.071 0.000 2.913 2237 T HA 0.232 4.582 4.350 -0.000 0.000 0.287 2237 T C 1.487 176.125 174.700 -0.103 0.000 1.008 2237 T CA -0.501 61.556 62.100 -0.073 0.000 1.067 2237 T CB 1.412 70.244 68.868 -0.060 0.000 0.996 2237 T HN -0.045 nan 8.240 nan 0.000 0.513 2238 L N 0.594 121.740 121.223 -0.127 0.000 2.012 2238 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 2238 L C 2.795 179.511 176.870 -0.257 0.000 1.073 2238 L CA 1.676 56.359 54.840 -0.261 0.000 0.748 2238 L CB -0.463 41.477 42.059 -0.199 0.000 0.891 2238 L HN 0.872 nan 8.230 nan 0.000 0.431 2239 D N -0.131 120.223 120.400 -0.077 0.000 2.160 2239 D HA -0.297 4.343 4.640 -0.000 0.000 0.189 2239 D C 2.182 178.477 176.300 -0.008 0.000 1.003 2239 D CA 1.865 55.870 54.000 0.010 0.000 0.846 2239 D CB 0.042 40.845 40.800 0.005 0.000 0.949 2239 D HN 0.227 nan 8.370 nan 0.000 0.446 2240 R N 0.517 120.989 120.500 -0.048 0.000 2.088 2240 R HA -0.253 4.087 4.340 -0.000 0.000 0.232 2240 R C 2.588 178.853 176.300 -0.058 0.000 1.136 2240 R CA 2.516 58.587 56.100 -0.048 0.000 0.926 2240 R CB -0.551 29.712 30.300 -0.063 0.000 0.837 2240 R HN 0.179 nan 8.270 nan 0.000 0.429 2241 Q N -0.502 119.236 119.800 -0.103 0.000 2.142 2241 Q HA -0.293 4.047 4.340 -0.000 0.000 0.213 2241 Q C 1.797 177.701 176.000 -0.161 0.000 1.004 2241 Q CA 2.364 58.096 55.803 -0.118 0.000 0.883 2241 Q CB -0.557 28.060 28.738 -0.200 0.000 0.939 2241 Q HN 0.582 nan 8.270 nan 0.000 0.413 2242 H N 0.226 119.252 119.070 -0.073 0.000 2.423 2242 H HA 0.007 4.562 4.556 -0.000 0.000 0.297 2242 H C 1.717 176.987 175.328 -0.096 0.000 1.075 2242 H CA 1.678 57.696 56.048 -0.050 0.000 1.342 2242 H CB 0.076 29.951 29.762 0.188 0.000 1.395 2242 H HN 0.476 nan 8.280 nan 0.000 0.530 2243 K N 0.330 120.771 120.400 0.068 0.000 2.155 2243 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 2243 K C 1.913 178.485 176.600 -0.047 0.000 1.052 2243 K CA 0.556 56.857 56.287 0.023 0.000 0.948 2243 K CB 0.156 32.670 32.500 0.022 0.000 0.728 2243 K HN 0.169 nan 8.250 nan 0.000 0.448 2244 L N 0.518 121.702 121.223 -0.066 0.000 2.599 2244 L HA 0.052 4.392 4.340 -0.000 0.000 0.230 2244 L C 0.708 177.508 176.870 -0.117 0.000 1.141 2244 L CA 0.111 54.911 54.840 -0.066 0.000 0.877 2244 L CB -0.126 41.916 42.059 -0.029 0.000 1.009 2244 L HN 0.040 nan 8.230 nan 0.000 0.447 2245 R N 0.233 120.571 120.500 -0.270 0.000 2.428 2245 R HA 0.219 4.559 4.340 -0.000 0.000 0.294 2245 R C 0.643 176.602 176.300 -0.569 0.000 1.000 2245 R CA -0.394 55.394 56.100 -0.520 0.000 0.960 2245 R CB 1.844 31.493 30.300 -1.086 0.000 1.076 2245 R HN -0.057 nan 8.270 nan 0.000 0.475 2246 L N 2.746 123.730 121.223 -0.397 0.000 2.463 2246 L HA 0.274 4.614 4.340 -0.000 0.000 0.219 2246 L C -0.196 176.630 176.870 -0.073 0.000 1.088 2246 L CA 0.819 55.533 54.840 -0.211 0.000 0.849 2246 L CB 0.109 42.071 42.059 -0.163 0.000 1.012 2246 L HN 0.778 nan 8.230 nan 0.000 0.468 2247 F N 0.608 120.555 119.950 -0.005 0.000 2.905 2247 F HA -0.273 4.254 4.527 -0.000 0.000 0.291 2247 F C 0.194 175.996 175.800 0.004 0.000 1.002 2247 F CA 0.697 58.685 58.000 -0.019 0.000 0.978 2247 F CB -1.518 37.444 39.000 -0.064 0.000 1.036 2247 F HN 0.232 nan 8.300 nan 0.000 0.820 2248 K N 0.399 120.898 120.400 0.166 0.000 2.592 2248 K HA 0.308 4.628 4.320 -0.000 0.000 0.265 2248 K C -0.327 176.353 176.600 0.132 0.000 1.006 2248 K CA -0.729 55.633 56.287 0.124 0.000 0.907 2248 K CB 1.263 33.806 32.500 0.072 0.000 1.309 2248 K HN 0.178 nan 8.250 nan 0.000 0.452 2249 D N 1.842 122.332 120.400 0.150 0.000 2.882 2249 D HA -0.212 4.428 4.640 -0.000 0.000 0.229 2249 D C 0.654 177.082 176.300 0.213 0.000 1.167 2249 D CA 1.582 55.682 54.000 0.167 0.000 0.759 2249 D CB -1.206 39.673 40.800 0.131 0.000 1.088 2249 D HN 1.009 nan 8.370 nan 0.000 0.425 2250 G N -0.592 108.362 108.800 0.256 0.000 2.258 2250 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.274 2250 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.274 2250 G C 0.219 175.389 174.900 0.450 0.000 1.021 2250 G CA 0.832 46.160 45.100 0.381 0.000 0.798 2250 G HN 0.525 nan 8.290 nan 0.000 0.507 2251 K N -0.900 119.675 120.400 0.292 0.000 2.118 2251 K HA 0.622 4.942 4.320 -0.000 0.000 0.264 2251 K C 0.732 177.436 176.600 0.174 0.000 1.000 2251 K CA -0.769 55.693 56.287 0.291 0.000 0.929 2251 K CB 1.027 33.615 32.500 0.147 0.000 1.021 2251 K HN 0.156 nan 8.250 nan 0.000 0.463 2252 L N 2.932 124.252 121.223 0.161 0.000 2.349 2252 L HA 0.152 4.491 4.340 -0.000 0.000 0.275 2252 L C 0.352 177.199 176.870 -0.038 0.000 1.115 2252 L CA -0.169 54.680 54.840 0.016 0.000 0.820 2252 L CB 0.680 42.714 42.059 -0.042 0.000 1.135 2252 L HN 0.391 nan 8.230 nan 0.000 0.445 2253 K N 3.188 123.530 120.400 -0.096 0.000 2.489 2253 K HA 0.064 4.384 4.320 -0.000 0.000 0.278 2253 K C -0.819 175.771 176.600 -0.018 0.000 1.000 2253 K CA 0.369 56.578 56.287 -0.131 0.000 1.012 2253 K CB 0.444 32.886 32.500 -0.096 0.000 0.903 2253 K HN 0.389 nan 8.250 nan 0.000 0.485 2254 Y N -0.637 119.655 120.300 -0.013 0.000 2.944 2254 Y HA 0.475 5.025 4.550 -0.000 0.000 0.312 2254 Y C -1.006 174.876 175.900 -0.031 0.000 1.417 2254 Y CA -1.611 56.472 58.100 -0.028 0.000 1.105 2254 Y CB 0.716 39.172 38.460 -0.006 0.000 1.364 2254 Y HN 0.610 nan 8.280 nan 0.000 0.540 2255 Q N 0.081 120.097 119.800 0.359 0.000 2.438 2255 Q HA 0.664 5.004 4.340 -0.000 0.000 0.272 2255 Q C -2.550 173.482 176.000 0.053 0.000 0.994 2255 Q CA -1.023 54.900 55.803 0.199 0.000 0.887 2255 Q CB 2.296 31.076 28.738 0.071 0.000 1.432 2255 Q HN 0.594 nan 8.270 nan 0.000 0.392 2256 V N 4.147 124.095 119.914 0.057 0.000 2.347 2256 V HA 0.487 4.607 4.120 -0.000 0.000 0.280 2256 V C -0.390 175.762 176.094 0.097 0.000 1.021 2256 V CA -0.392 61.923 62.300 0.025 0.000 0.847 2256 V CB 1.033 32.845 31.823 -0.019 0.000 0.990 2256 V HN 0.676 nan 8.190 nan 0.000 0.444 2257 I N 3.620 124.300 120.570 0.184 0.000 2.406 2257 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 2257 I C 1.177 177.394 176.117 0.166 0.000 0.999 2257 I CA -0.657 60.742 61.300 0.165 0.000 1.124 2257 I CB 1.594 39.681 38.000 0.146 0.000 1.289 2257 I HN 0.781 nan 8.210 nan 0.000 0.441 2258 G N 4.373 113.233 108.800 0.101 0.000 2.395 2258 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.300 2258 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.300 2258 G C 1.019 175.964 174.900 0.076 0.000 0.998 2258 G CA 0.730 45.880 45.100 0.084 0.000 1.046 2258 G HN 1.588 nan 8.290 nan 0.000 0.513 2259 G N -1.737 107.095 108.800 0.053 0.000 2.166 2259 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.260 2259 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.260 2259 G C 0.089 174.985 174.900 -0.008 0.000 0.986 2259 G CA 0.986 46.098 45.100 0.019 0.000 0.683 2259 G HN 0.917 nan 8.290 nan 0.000 0.527 2260 E N -0.649 119.562 120.200 0.018 0.000 2.256 2260 E HA 0.534 4.884 4.350 -0.000 0.000 0.267 2260 E C 0.053 176.530 176.600 -0.204 0.000 0.892 2260 E CA -0.823 55.518 56.400 -0.099 0.000 0.775 2260 E CB 2.245 31.907 29.700 -0.063 0.000 1.207 2260 E HN 0.102 nan 8.360 nan 0.000 0.420 2261 V N 3.561 123.238 119.914 -0.394 0.000 2.427 2261 V HA 0.192 4.312 4.120 -0.000 0.000 0.268 2261 V C -0.637 175.139 176.094 -0.530 0.000 1.046 2261 V CA 0.147 62.190 62.300 -0.429 0.000 0.970 2261 V CB -0.576 31.004 31.823 -0.405 0.000 1.001 2261 V HN 0.508 nan 8.190 nan 0.000 0.476 2262 Y N 4.739 124.950 120.300 -0.149 0.000 2.581 2262 Y HA 0.483 5.032 4.550 -0.000 0.000 0.345 2262 Y C -2.248 173.505 175.900 -0.244 0.000 1.036 2262 Y CA -2.618 55.390 58.100 -0.152 0.000 1.042 2262 Y CB 2.464 40.846 38.460 -0.130 0.000 1.289 2262 Y HN 0.424 nan 8.280 nan 0.000 0.471 2263 P HA 0.007 nan 4.420 nan 0.000 0.270 2263 P C -2.622 174.433 177.300 -0.408 0.000 1.221 2263 P CA -0.644 62.324 63.100 -0.220 0.000 0.788 2263 P CB -0.013 31.583 31.700 -0.174 0.000 0.904 2264 P HA 0.159 nan 4.420 nan 0.000 0.283 2264 P C -0.557 176.665 177.300 -0.129 0.000 1.278 2264 P CA -0.419 62.590 63.100 -0.151 0.000 0.834 2264 P CB 0.301 31.980 31.700 -0.035 0.000 1.150 2265 T N -1.792 112.744 114.554 -0.030 0.000 2.860 2265 T HA 0.109 4.459 4.350 -0.000 0.000 0.299 2265 T C 1.249 175.995 174.700 0.077 0.000 1.045 2265 T CA -0.282 61.864 62.100 0.076 0.000 1.071 2265 T CB -0.193 68.731 68.868 0.094 0.000 0.985 2265 T HN 0.052 nan 8.240 nan 0.000 0.537 2266 V N 2.890 122.876 119.914 0.120 0.000 2.667 2266 V HA 0.001 4.121 4.120 -0.000 0.000 0.252 2266 V C 2.691 178.820 176.094 0.059 0.000 1.065 2266 V CA 1.765 64.113 62.300 0.080 0.000 1.083 2266 V CB -0.777 31.105 31.823 0.099 0.000 0.692 2266 V HN 0.974 nan 8.190 nan 0.000 0.468 2267 K N -0.022 120.419 120.400 0.069 0.000 2.504 2267 K HA -0.128 4.192 4.320 -0.000 0.000 0.195 2267 K C 0.736 177.360 176.600 0.040 0.000 1.036 2267 K CA 1.195 57.513 56.287 0.051 0.000 0.984 2267 K CB 0.073 32.606 32.500 0.056 0.000 0.788 2267 K HN 0.479 nan 8.250 nan 0.000 0.488 2268 D N -0.905 119.518 120.400 0.038 0.000 2.449 2268 D HA -0.034 4.605 4.640 -0.000 0.000 0.210 2268 D C 1.312 177.625 176.300 0.022 0.000 1.094 2268 D CA 0.669 54.686 54.000 0.029 0.000 0.846 2268 D CB 0.981 41.798 40.800 0.029 0.000 1.003 2268 D HN 0.314 nan 8.370 nan 0.000 0.504 2269 T N -2.929 111.637 114.554 0.020 0.000 2.975 2269 T HA 0.073 4.422 4.350 -0.000 0.000 0.261 2269 T C 0.784 175.491 174.700 0.013 0.000 0.984 2269 T CA -0.018 62.090 62.100 0.013 0.000 0.911 2269 T CB 0.680 69.548 68.868 0.001 0.000 1.127 2269 T HN -0.269 nan 8.240 nan 0.000 0.514 2270 Q N 0.357 120.166 119.800 0.015 0.000 2.332 2270 Q HA -0.132 4.208 4.340 -0.000 0.000 0.222 2270 Q C 0.178 176.176 176.000 -0.003 0.000 0.758 2270 Q CA 0.728 56.536 55.803 0.010 0.000 1.355 2270 Q CB -2.695 26.050 28.738 0.011 0.000 1.705 2270 Q HN 0.632 nan 8.270 nan 0.000 0.638 2271 V N 1.509 121.418 119.914 -0.008 0.000 3.032 2271 V HA -0.052 4.068 4.120 -0.000 0.000 0.307 2271 V C 1.054 177.119 176.094 -0.048 0.000 1.097 2271 V CA 0.296 62.580 62.300 -0.028 0.000 1.191 2271 V CB 0.818 32.621 31.823 -0.033 0.000 0.964 2271 V HN 0.112 nan 8.190 nan 0.000 0.494 2272 E N 4.244 124.405 120.200 -0.066 0.000 2.129 2272 E HA 0.302 4.652 4.350 -0.000 0.000 0.283 2272 E C -0.557 175.959 176.600 -0.141 0.000 1.080 2272 E CA -0.114 56.233 56.400 -0.088 0.000 0.867 2272 E CB 0.934 30.588 29.700 -0.077 0.000 1.056 2272 E HN 0.333 nan 8.360 nan 0.000 0.404 2273 M N 3.160 122.641 119.600 -0.198 0.000 2.327 2273 M HA 0.407 4.887 4.480 -0.000 0.000 0.298 2273 M C -0.263 175.780 176.300 -0.427 0.000 1.065 2273 M CA -0.919 54.156 55.300 -0.375 0.000 0.916 2273 M CB 1.523 33.793 32.600 -0.551 0.000 1.630 2273 M HN 0.292 nan 8.290 nan 0.000 0.442 2274 I N 3.887 124.222 120.570 -0.392 0.000 2.329 2274 I HA 0.227 4.397 4.170 -0.000 0.000 0.295 2274 I C -1.022 174.957 176.117 -0.230 0.000 1.109 2274 I CA -0.218 60.935 61.300 -0.246 0.000 1.297 2274 I CB -0.421 37.499 38.000 -0.134 0.000 1.433 2274 I HN 0.355 nan 8.210 nan 0.000 0.509 2275 Y N 6.452 126.674 120.300 -0.130 0.000 2.545 2275 Y HA 0.573 5.122 4.550 -0.000 0.000 0.348 2275 Y C -2.272 173.485 175.900 -0.238 0.000 1.002 2275 Y CA -3.157 54.827 58.100 -0.194 0.000 1.039 2275 Y CB 1.628 40.005 38.460 -0.139 0.000 1.271 2275 Y HN 0.405 nan 8.280 nan 0.000 0.467 2276 P HA 0.341 nan 4.420 nan 0.000 0.290 2276 P C -2.375 174.708 177.300 -0.362 0.000 1.276 2276 P CA -1.681 61.254 63.100 -0.274 0.000 0.808 2276 P CB 1.446 32.945 31.700 -0.335 0.000 0.966 2277 P HA -0.300 nan 4.420 nan 0.000 0.230 2277 P C 1.471 178.739 177.300 -0.054 0.000 1.150 2277 P CA 1.996 65.070 63.100 -0.044 0.000 0.933 2277 P CB -0.471 31.273 31.700 0.073 0.000 0.785 2278 H N -1.328 117.754 119.070 0.020 0.000 2.387 2278 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 2278 H C 1.001 176.319 175.328 -0.016 0.000 1.090 2278 H CA 0.380 56.434 56.048 0.010 0.000 1.332 2278 H CB -1.524 28.250 29.762 0.020 0.000 1.386 2278 H HN 0.082 nan 8.280 nan 0.000 0.516 2279 I N 4.907 125.321 120.570 -0.261 0.000 3.089 2279 I HA -0.086 4.084 4.170 -0.000 0.000 0.321 2279 I C -1.952 174.099 176.117 -0.109 0.000 1.222 2279 I CA -1.026 60.146 61.300 -0.214 0.000 1.452 2279 I CB -0.565 37.191 38.000 -0.407 0.000 1.321 2279 I HN 0.158 nan 8.210 nan 0.000 0.539 2280 P HA 0.210 nan 4.420 nan 0.000 0.279 2280 P C 0.478 177.765 177.300 -0.022 0.000 1.239 2280 P CA -0.427 62.654 63.100 -0.032 0.000 0.789 2280 P CB 1.065 32.753 31.700 -0.021 0.000 0.933 2281 E N 1.695 121.907 120.200 0.019 0.000 2.114 2281 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 2281 E C 1.685 178.333 176.600 0.080 0.000 1.008 2281 E CA 1.615 58.049 56.400 0.057 0.000 0.810 2281 E CB -0.255 29.479 29.700 0.056 0.000 0.739 2281 E HN 0.593 nan 8.360 nan 0.000 0.456 2282 N N 0.712 119.447 118.700 0.059 0.000 2.513 2282 N HA -0.188 4.551 4.740 -0.000 0.000 0.187 2282 N C 1.493 177.072 175.510 0.114 0.000 1.056 2282 N CA 0.954 54.053 53.050 0.082 0.000 0.907 2282 N CB -0.009 38.507 38.487 0.049 0.000 0.954 2282 N HN 0.276 nan 8.380 nan 0.000 0.445 2283 L N -0.342 120.899 121.223 0.030 0.000 2.642 2283 L HA 0.140 4.479 4.340 -0.000 0.000 0.233 2283 L C 0.419 177.218 176.870 -0.118 0.000 1.077 2283 L CA -0.047 54.717 54.840 -0.127 0.000 0.879 2283 L CB 0.097 41.999 42.059 -0.262 0.000 1.151 2283 L HN 0.009 nan 8.230 nan 0.000 0.495 2284 Q N 1.768 121.606 119.800 0.063 0.000 2.320 2284 Q HA 0.098 4.438 4.340 -0.000 0.000 0.262 2284 Q C -0.698 175.706 176.000 0.673 0.000 1.225 2284 Q CA 0.432 56.433 55.803 0.330 0.000 0.916 2284 Q CB -0.191 28.756 28.738 0.349 0.000 1.417 2284 Q HN 0.258 nan 8.270 nan 0.000 0.462 2285 F N 0.834 121.031 119.950 0.411 0.000 2.389 2285 F HA 0.389 4.915 4.527 -0.000 0.000 0.337 2285 F C 0.672 176.569 175.800 0.161 0.000 1.112 2285 F CA -1.129 57.016 58.000 0.241 0.000 1.192 2285 F CB 0.955 40.072 39.000 0.194 0.000 1.185 2285 F HN 0.423 nan 8.300 nan 0.000 0.552 2286 A N 3.554 126.486 122.820 0.186 0.000 2.304 2286 A HA 0.715 5.034 4.320 -0.000 0.000 0.314 2286 A C -0.847 176.757 177.584 0.035 0.000 1.187 2286 A CA -0.498 51.575 52.037 0.061 0.000 0.810 2286 A CB 1.134 20.147 19.000 0.021 0.000 1.183 2286 A HN 0.684 nan 8.150 nan 0.000 0.487 2287 V N 0.064 119.986 119.914 0.013 0.000 3.206 2287 V HA 0.840 4.960 4.120 -0.000 0.000 0.305 2287 V C 1.020 177.058 176.094 -0.094 0.000 1.257 2287 V CA 0.021 62.319 62.300 -0.004 0.000 1.057 2287 V CB 1.079 32.960 31.823 0.097 0.000 1.075 2287 V HN 1.370 nan 8.190 nan 0.000 0.443 2288 G N 0.117 108.830 108.800 -0.144 0.000 2.606 2288 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.221 2288 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.221 2288 G C 0.698 175.432 174.900 -0.278 0.000 1.152 2288 G CA 1.350 46.321 45.100 -0.214 0.000 0.765 2288 G HN 0.829 nan 8.290 nan 0.000 0.595 2289 Q N 0.341 119.884 119.800 -0.428 0.000 2.278 2289 Q HA 0.189 4.529 4.340 -0.000 0.000 0.257 2289 Q C 1.448 177.246 176.000 -0.338 0.000 0.928 2289 Q CA -0.137 55.309 55.803 -0.594 0.000 0.932 2289 Q CB 1.563 29.379 28.738 -1.537 0.000 1.221 2289 Q HN 0.762 nan 8.270 nan 0.000 0.434 2290 E N 1.889 121.946 120.200 -0.239 0.000 2.204 2290 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 2290 E C 1.306 177.826 176.600 -0.134 0.000 0.989 2290 E CA 0.732 57.023 56.400 -0.181 0.000 0.824 2290 E CB 0.113 29.719 29.700 -0.157 0.000 0.756 2290 E HN 0.297 nan 8.360 nan 0.000 0.477 2291 V N 0.369 120.266 119.914 -0.028 0.000 2.649 2291 V HA -0.124 3.995 4.120 -0.000 0.000 0.248 2291 V C 1.407 177.670 176.094 0.282 0.000 1.054 2291 V CA 0.709 63.077 62.300 0.114 0.000 1.073 2291 V CB -0.555 31.387 31.823 0.198 0.000 0.699 2291 V HN 0.154 nan 8.190 nan 0.000 0.463 2292 F N 1.697 121.659 119.950 0.020 0.000 2.406 2292 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 2292 F C 2.188 178.035 175.800 0.078 0.000 1.059 2292 F CA 1.069 59.096 58.000 0.044 0.000 1.458 2292 F CB -1.560 37.472 39.000 0.053 0.000 1.107 2292 F HN 0.299 nan 8.300 nan 0.000 0.582 2293 G N -0.485 108.500 108.800 0.308 0.000 2.511 2293 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.217 2293 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.217 2293 G C 1.535 176.609 174.900 0.291 0.000 1.133 2293 G CA 0.017 45.396 45.100 0.464 0.000 0.792 2293 G HN 0.389 nan 8.290 nan 0.000 0.539 2294 L N 0.661 122.028 121.223 0.239 0.000 2.650 2294 L HA 0.196 4.536 4.340 -0.000 0.000 0.235 2294 L C -0.247 176.697 176.870 0.123 0.000 1.149 2294 L CA -0.045 54.953 54.840 0.263 0.000 0.887 2294 L CB 0.127 42.328 42.059 0.238 0.000 1.021 2294 L HN -0.075 nan 8.230 nan 0.000 0.441 2295 V N -0.598 119.265 119.914 -0.086 0.000 2.501 2295 V HA 0.191 4.311 4.120 -0.000 0.000 0.277 2295 V C -1.732 174.035 176.094 -0.544 0.000 1.004 2295 V CA -0.809 61.285 62.300 -0.343 0.000 0.862 2295 V CB 1.760 33.421 31.823 -0.270 0.000 1.035 2295 V HN -0.100 nan 8.190 nan 0.000 0.448 2296 P HA -0.170 nan 4.420 nan 0.000 0.219 2296 P C 1.641 178.520 177.300 -0.702 0.000 1.144 2296 P CA 1.778 64.479 63.100 -0.664 0.000 0.806 2296 P CB 0.332 31.626 31.700 -0.676 0.000 0.771 2297 G N -0.583 107.572 108.800 -1.075 0.000 2.414 2297 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.215 2297 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.215 2297 G C 1.318 175.640 174.900 -0.962 0.000 1.188 2297 G CA 0.483 44.581 45.100 -1.671 0.000 0.783 2297 G HN 0.123 nan 8.290 nan 0.000 0.537 2298 L N 0.029 120.838 121.223 -0.691 0.000 1.943 2298 L HA -0.005 4.335 4.340 -0.000 0.000 0.215 2298 L C 2.811 179.577 176.870 -0.173 0.000 1.074 2298 L CA 2.036 56.639 54.840 -0.395 0.000 0.759 2298 L CB -1.179 40.495 42.059 -0.641 0.000 0.888 2298 L HN 0.250 nan 8.230 nan 0.000 0.433 2299 M N -0.949 118.557 119.600 -0.156 0.000 2.124 2299 M HA -0.318 4.162 4.480 -0.000 0.000 0.253 2299 M C 2.247 178.541 176.300 -0.010 0.000 1.077 2299 M CA 1.991 57.299 55.300 0.012 0.000 1.085 2299 M CB -0.628 31.936 32.600 -0.061 0.000 1.320 2299 M HN 0.387 nan 8.290 nan 0.000 0.404 2300 M N -1.390 118.073 119.600 -0.228 0.000 2.082 2300 M HA -0.296 4.184 4.480 -0.000 0.000 0.258 2300 M C 1.968 178.185 176.300 -0.139 0.000 1.071 2300 M CA 2.120 57.249 55.300 -0.285 0.000 1.103 2300 M CB -0.757 31.551 32.600 -0.487 0.000 1.307 2300 M HN 0.335 nan 8.290 nan 0.000 0.409 2301 Y N 0.738 120.941 120.300 -0.162 0.000 2.081 2301 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 2301 Y C 2.773 178.648 175.900 -0.041 0.000 1.163 2301 Y CA 1.764 59.729 58.100 -0.226 0.000 1.135 2301 Y CB -1.516 36.601 38.460 -0.572 0.000 0.970 2301 Y HN 0.472 nan 8.280 nan 0.000 0.498 2302 A N -0.094 122.927 122.820 0.336 0.000 1.885 2302 A HA -0.350 3.969 4.320 -0.000 0.000 0.215 2302 A C 2.330 180.090 177.584 0.294 0.000 1.255 2302 A CA 3.424 55.744 52.037 0.471 0.000 0.692 2302 A CB -1.577 17.693 19.000 0.450 0.000 0.842 2302 A HN 0.490 nan 8.150 nan 0.000 0.465 2303 T N 0.456 115.129 114.554 0.198 0.000 2.731 2303 T HA -0.311 4.038 4.350 -0.000 0.000 0.263 2303 T C 1.703 176.431 174.700 0.047 0.000 1.033 2303 T CA 2.134 64.295 62.100 0.102 0.000 1.160 2303 T CB -0.910 68.001 68.868 0.071 0.000 0.849 2303 T HN 0.452 nan 8.240 nan 0.000 0.469 2304 I N -0.797 119.791 120.570 0.030 0.000 2.060 2304 I HA -0.174 3.996 4.170 -0.000 0.000 0.233 2304 I C 2.430 178.569 176.117 0.038 0.000 1.054 2304 I CA 1.739 63.011 61.300 -0.046 0.000 1.318 2304 I CB -0.560 37.361 38.000 -0.132 0.000 1.054 2304 I HN 0.293 nan 8.210 nan 0.000 0.395 2305 W N 1.003 122.354 121.300 0.085 0.000 2.290 2305 W HA -0.320 4.340 4.660 -0.000 0.000 0.323 2305 W C 2.641 179.205 176.519 0.075 0.000 1.260 2305 W CA 1.426 58.823 57.345 0.087 0.000 1.266 2305 W CB -0.611 28.910 29.460 0.100 0.000 1.149 2305 W HN 0.221 nan 8.180 nan 0.000 0.482 2306 L N 0.835 122.247 121.223 0.315 0.000 1.997 2306 L HA -0.330 4.010 4.340 -0.000 0.000 0.216 2306 L C 2.576 179.575 176.870 0.215 0.000 1.074 2306 L CA 2.120 57.074 54.840 0.191 0.000 0.763 2306 L CB -0.550 41.584 42.059 0.126 0.000 0.890 2306 L HN -0.006 nan 8.230 nan 0.000 0.434 2307 R N -0.472 120.111 120.500 0.139 0.000 2.103 2307 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 2307 R C 2.227 178.609 176.300 0.137 0.000 1.142 2307 R CA 1.674 57.828 56.100 0.091 0.000 0.960 2307 R CB -0.460 29.831 30.300 -0.014 0.000 0.858 2307 R HN 0.494 nan 8.270 nan 0.000 0.439 2308 E N 0.425 120.724 120.200 0.166 0.000 2.023 2308 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 2308 E C 1.663 178.409 176.600 0.245 0.000 1.003 2308 E CA 2.065 58.578 56.400 0.189 0.000 0.809 2308 E CB -0.399 29.465 29.700 0.272 0.000 0.755 2308 E HN 0.447 nan 8.360 nan 0.000 0.449 2309 H N 0.147 119.356 119.070 0.231 0.000 2.296 2309 H HA -0.184 4.372 4.556 -0.000 0.000 0.291 2309 H C 1.749 177.181 175.328 0.173 0.000 1.074 2309 H CA 2.863 59.037 56.048 0.210 0.000 1.176 2309 H CB -0.555 29.332 29.762 0.209 0.000 1.357 2309 H HN 0.216 nan 8.280 nan 0.000 0.520 2310 N N 0.274 119.187 118.700 0.354 0.000 2.184 2310 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 2310 N C 2.016 177.607 175.510 0.135 0.000 1.011 2310 N CA 1.348 54.555 53.050 0.261 0.000 0.867 2310 N CB -0.464 38.222 38.487 0.331 0.000 0.993 2310 N HN 0.431 nan 8.380 nan 0.000 0.433 2311 R N 0.828 121.399 120.500 0.118 0.000 2.070 2311 R HA -0.070 4.270 4.340 -0.000 0.000 0.233 2311 R C 1.779 178.107 176.300 0.047 0.000 1.137 2311 R CA 1.193 57.337 56.100 0.073 0.000 0.945 2311 R CB -0.514 29.822 30.300 0.061 0.000 0.845 2311 R HN 0.047 nan 8.270 nan 0.000 0.430 2312 V N 0.772 120.707 119.914 0.034 0.000 2.287 2312 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 2312 V C 2.649 178.740 176.094 -0.006 0.000 1.053 2312 V CA 2.013 64.319 62.300 0.011 0.000 1.027 2312 V CB -0.469 31.357 31.823 0.005 0.000 0.646 2312 V HN 0.570 nan 8.190 nan 0.000 0.447 2313 C N 0.034 119.310 119.300 -0.040 0.000 2.363 2313 C HA -0.248 4.212 4.460 -0.000 0.000 0.274 2313 C C 2.481 177.498 174.990 0.045 0.000 1.183 2313 C CA 1.398 60.423 59.018 0.012 0.000 1.771 2313 C CB -1.249 26.520 27.740 0.050 0.000 2.059 2313 C HN 0.640 nan 8.230 nan 0.000 0.455 2314 D N 0.729 121.157 120.400 0.047 0.000 2.104 2314 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 2314 D C 1.801 178.103 176.300 0.003 0.000 0.994 2314 D CA 1.327 55.349 54.000 0.037 0.000 0.830 2314 D CB -0.520 40.306 40.800 0.043 0.000 0.959 2314 D HN 0.516 nan 8.370 nan 0.000 0.452 2315 I N 0.518 121.085 120.570 -0.006 0.000 2.208 2315 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 2315 I C 2.517 178.581 176.117 -0.088 0.000 1.097 2315 I CA 0.788 62.066 61.300 -0.037 0.000 1.363 2315 I CB -0.341 37.646 38.000 -0.022 0.000 1.051 2315 I HN -0.013 nan 8.210 nan 0.000 0.413 2316 L N 0.762 121.944 121.223 -0.068 0.000 1.973 2316 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 2316 L C 2.669 179.434 176.870 -0.175 0.000 1.073 2316 L CA 1.642 56.397 54.840 -0.141 0.000 0.746 2316 L CB -0.643 41.430 42.059 0.023 0.000 0.891 2316 L HN 0.212 nan 8.230 nan 0.000 0.433 2317 K N -0.205 120.178 120.400 -0.030 0.000 2.366 2317 K HA -0.295 4.024 4.320 -0.000 0.000 0.202 2317 K C 2.060 178.626 176.600 -0.056 0.000 1.045 2317 K CA 1.496 57.785 56.287 0.004 0.000 0.934 2317 K CB 0.067 32.603 32.500 0.059 0.000 0.746 2317 K HN 0.132 nan 8.250 nan 0.000 0.470 2318 Q N 0.617 120.357 119.800 -0.099 0.000 2.089 2318 Q HA -0.083 4.256 4.340 -0.000 0.000 0.195 2318 Q C 1.626 177.517 176.000 -0.182 0.000 0.963 2318 Q CA 1.549 57.290 55.803 -0.103 0.000 0.834 2318 Q CB -0.021 28.665 28.738 -0.087 0.000 0.906 2318 Q HN 0.231 nan 8.270 nan 0.000 0.452 2319 E N -0.255 119.749 120.200 -0.327 0.000 2.051 2319 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 2319 E C -0.071 176.164 176.600 -0.608 0.000 0.991 2319 E CA 1.124 57.197 56.400 -0.546 0.000 0.799 2319 E CB 0.049 29.228 29.700 -0.869 0.000 0.748 2319 E HN 0.378 nan 8.360 nan 0.000 0.449 2320 H N -0.734 118.098 119.070 -0.397 0.000 2.530 2320 H HA 0.199 4.755 4.556 -0.000 0.000 0.246 2320 H C -1.915 173.301 175.328 -0.187 0.000 1.346 2320 H CA -2.254 53.505 56.048 -0.483 0.000 1.424 2320 H CB 0.811 29.749 29.762 -1.374 0.000 1.445 2320 H HN 0.122 nan 8.280 nan 0.000 0.511 2321 P HA -0.102 nan 4.420 nan 0.000 0.231 2321 P C 0.319 177.685 177.300 0.110 0.000 1.158 2321 P CA 0.798 63.928 63.100 0.051 0.000 0.763 2321 P CB 0.300 32.016 31.700 0.028 0.000 0.805 2322 E N -2.751 117.537 120.200 0.148 0.000 2.451 2322 E HA 0.110 4.459 4.350 -0.000 0.000 0.194 2322 E C -0.088 176.751 176.600 0.398 0.000 1.027 2322 E CA -0.370 56.156 56.400 0.211 0.000 0.914 2322 E CB -0.484 29.320 29.700 0.172 0.000 1.054 2322 E HN 0.124 nan 8.360 nan 0.000 0.461 2323 W N 0.955 122.305 121.300 0.083 0.000 2.497 2323 W HA 0.716 5.376 4.660 -0.000 0.000 0.359 2323 W C 0.879 177.439 176.519 0.068 0.000 1.131 2323 W CA -1.211 56.175 57.345 0.068 0.000 1.280 2323 W CB 1.109 30.637 29.460 0.113 0.000 1.319 2323 W HN 0.050 nan 8.180 nan 0.000 0.626 2324 G N 0.436 109.346 108.800 0.182 0.000 2.461 2324 G HA2 0.207 4.167 3.960 -0.000 0.000 0.329 2324 G HA3 0.207 4.167 3.960 -0.000 0.000 0.329 2324 G C 0.276 175.270 174.900 0.157 0.000 1.170 2324 G CA -0.224 44.948 45.100 0.120 0.000 0.935 2324 G HN 0.477 nan 8.290 nan 0.000 0.492 2325 D N -0.262 120.229 120.400 0.152 0.000 2.137 2325 D HA -0.216 4.424 4.640 -0.000 0.000 0.189 2325 D C 1.851 178.289 176.300 0.231 0.000 0.998 2325 D CA 1.673 55.794 54.000 0.202 0.000 0.839 2325 D CB 0.091 41.014 40.800 0.204 0.000 0.962 2325 D HN 0.392 nan 8.370 nan 0.000 0.446 2326 E N -0.477 119.824 120.200 0.169 0.000 2.331 2326 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 2326 E C 1.839 178.530 176.600 0.152 0.000 1.008 2326 E CA 0.660 57.158 56.400 0.163 0.000 0.843 2326 E CB -0.047 29.697 29.700 0.073 0.000 0.761 2326 E HN 0.596 nan 8.360 nan 0.000 0.507 2327 Q N -0.269 119.569 119.800 0.064 0.000 2.259 2327 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 2327 Q C 2.304 178.357 176.000 0.089 0.000 0.938 2327 Q CA 0.131 55.882 55.803 -0.087 0.000 0.872 2327 Q CB 0.173 28.635 28.738 -0.460 0.000 0.971 2327 Q HN 0.195 nan 8.270 nan 0.000 0.494 2328 L N 0.273 121.657 121.223 0.268 0.000 1.955 2328 L HA -0.169 4.170 4.340 -0.000 0.000 0.213 2328 L C 2.377 179.409 176.870 0.269 0.000 1.072 2328 L CA 1.744 56.805 54.840 0.369 0.000 0.755 2328 L CB -0.719 41.542 42.059 0.336 0.000 0.888 2328 L HN 0.326 nan 8.230 nan 0.000 0.432 2329 F N 0.482 120.533 119.950 0.169 0.000 2.111 2329 F HA -0.357 4.170 4.527 -0.000 0.000 0.300 2329 F C 2.652 178.524 175.800 0.119 0.000 1.088 2329 F CA 1.848 59.960 58.000 0.186 0.000 1.243 2329 F CB -0.188 38.898 39.000 0.144 0.000 0.996 2329 F HN 0.141 nan 8.300 nan 0.000 0.483 2330 Q N -0.335 119.583 119.800 0.196 0.000 2.137 2330 Q HA -0.090 4.249 4.340 -0.000 0.000 0.198 2330 Q C 2.193 178.190 176.000 -0.005 0.000 0.960 2330 Q CA 1.865 57.685 55.803 0.030 0.000 0.847 2330 Q CB -0.599 28.230 28.738 0.152 0.000 0.915 2330 Q HN 0.469 nan 8.270 nan 0.000 0.448 2331 T N 0.979 115.591 114.554 0.097 0.000 2.737 2331 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 2331 T C 2.196 176.998 174.700 0.169 0.000 1.038 2331 T CA 1.322 63.543 62.100 0.201 0.000 1.144 2331 T CB -0.193 68.939 68.868 0.440 0.000 0.866 2331 T HN 0.155 nan 8.240 nan 0.000 0.434 2332 S N 1.392 117.126 115.700 0.057 0.000 2.392 2332 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 2332 S C 2.062 176.684 174.600 0.037 0.000 1.041 2332 S CA 1.701 59.873 58.200 -0.047 0.000 1.100 2332 S CB -0.457 62.471 63.200 -0.452 0.000 1.029 2332 S HN 0.496 nan 8.310 nan 0.000 0.424 2333 R N 0.803 121.257 120.500 -0.077 0.000 2.174 2333 R HA -0.147 4.193 4.340 -0.000 0.000 0.253 2333 R C 2.087 178.441 176.300 0.090 0.000 1.165 2333 R CA 1.278 57.342 56.100 -0.061 0.000 0.984 2333 R CB -0.376 29.564 30.300 -0.600 0.000 0.873 2333 R HN 0.386 nan 8.270 nan 0.000 0.456 2334 L N -0.205 121.110 121.223 0.153 0.000 2.068 2334 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 2334 L C 2.351 179.503 176.870 0.470 0.000 1.076 2334 L CA 1.163 56.199 54.840 0.328 0.000 0.753 2334 L CB -0.342 41.928 42.059 0.353 0.000 0.910 2334 L HN 0.244 nan 8.230 nan 0.000 0.439 2335 I N -0.405 120.424 120.570 0.431 0.000 2.142 2335 I HA -0.328 3.842 4.170 -0.000 0.000 0.240 2335 I C 2.403 178.667 176.117 0.243 0.000 1.078 2335 I CA 1.157 62.646 61.300 0.314 0.000 1.343 2335 I CB -0.273 37.878 38.000 0.251 0.000 1.046 2335 I HN 0.110 nan 8.210 nan 0.000 0.405 2336 L N 0.168 121.535 121.223 0.241 0.000 1.990 2336 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 2336 L C 2.383 179.353 176.870 0.167 0.000 1.072 2336 L CA 1.887 56.875 54.840 0.247 0.000 0.755 2336 L CB -0.616 41.596 42.059 0.255 0.000 0.889 2336 L HN 0.158 nan 8.230 nan 0.000 0.432 2337 I N -0.957 119.705 120.570 0.153 0.000 2.185 2337 I HA -0.360 3.810 4.170 -0.000 0.000 0.246 2337 I C 2.365 178.583 176.117 0.168 0.000 1.088 2337 I CA 1.669 63.042 61.300 0.122 0.000 1.347 2337 I CB -0.721 37.372 38.000 0.153 0.000 1.041 2337 I HN 0.416 nan 8.210 nan 0.000 0.415 2338 G N -0.308 108.642 108.800 0.249 0.000 2.480 2338 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 2338 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 2338 G C 1.420 176.474 174.900 0.256 0.000 1.200 2338 G CA 0.974 46.249 45.100 0.292 0.000 0.782 2338 G HN 0.398 nan 8.290 nan 0.000 0.554 2339 E N -0.426 119.924 120.200 0.249 0.000 2.055 2339 E HA -0.191 4.158 4.350 -0.000 0.000 0.209 2339 E C 2.801 179.579 176.600 0.296 0.000 1.036 2339 E CA 1.970 58.543 56.400 0.288 0.000 0.849 2339 E CB -0.428 29.503 29.700 0.384 0.000 0.767 2339 E HN 0.348 nan 8.360 nan 0.000 0.461 2340 T N 1.499 116.238 114.554 0.307 0.000 2.565 2340 T HA -0.233 4.117 4.350 -0.000 0.000 0.265 2340 T C 1.844 176.570 174.700 0.043 0.000 1.082 2340 T CA 1.619 63.856 62.100 0.227 0.000 1.173 2340 T CB -0.361 68.516 68.868 0.015 0.000 0.864 2340 T HN 0.131 nan 8.240 nan 0.000 0.425 2341 I N 1.247 121.784 120.570 -0.055 0.000 2.300 2341 I HA -0.231 3.939 4.170 -0.000 0.000 0.252 2341 I C 2.402 178.206 176.117 -0.520 0.000 1.119 2341 I CA 1.609 62.709 61.300 -0.333 0.000 1.384 2341 I CB -0.847 36.855 38.000 -0.496 0.000 1.062 2341 I HN 0.291 nan 8.210 nan 0.000 0.426 2342 K N 1.973 122.252 120.400 -0.202 0.000 1.975 2342 K HA -0.073 4.246 4.320 -0.000 0.000 0.210 2342 K C 2.027 178.659 176.600 0.053 0.000 1.041 2342 K CA 1.383 57.707 56.287 0.062 0.000 0.942 2342 K CB -0.499 32.190 32.500 0.315 0.000 0.729 2342 K HN 0.134 nan 8.250 nan 0.000 0.439 2343 I N 0.761 121.402 120.570 0.118 0.000 2.381 2343 I HA -0.308 3.862 4.170 -0.000 0.000 0.255 2343 I C 2.044 178.183 176.117 0.036 0.000 1.140 2343 I CA 0.970 62.349 61.300 0.132 0.000 1.404 2343 I CB -0.241 37.916 38.000 0.261 0.000 1.075 2343 I HN 0.081 nan 8.210 nan 0.000 0.433 2344 V N 0.968 120.828 119.914 -0.091 0.000 2.232 2344 V HA -0.244 3.876 4.120 -0.000 0.000 0.239 2344 V C 2.251 178.284 176.094 -0.102 0.000 1.040 2344 V CA 1.827 63.952 62.300 -0.291 0.000 0.996 2344 V CB -0.276 31.201 31.823 -0.578 0.000 0.638 2344 V HN 0.224 nan 8.190 nan 0.000 0.453 2345 I N 0.106 120.607 120.570 -0.114 0.000 2.087 2345 I HA -0.337 3.832 4.170 -0.000 0.000 0.240 2345 I C 2.558 178.718 176.117 0.072 0.000 1.054 2345 I CA 2.117 63.406 61.300 -0.018 0.000 1.311 2345 I CB -0.463 37.494 38.000 -0.071 0.000 1.024 2345 I HN 0.441 nan 8.210 nan 0.000 0.402 2346 E N -0.026 120.224 120.200 0.084 0.000 2.216 2346 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 2346 E C 1.007 177.675 176.600 0.114 0.000 0.988 2346 E CA 0.850 57.312 56.400 0.103 0.000 0.834 2346 E CB 0.082 29.849 29.700 0.112 0.000 0.772 2346 E HN 0.552 nan 8.360 nan 0.000 0.479 2347 D N -0.499 119.990 120.400 0.147 0.000 2.910 2347 D HA -0.003 4.637 4.640 -0.000 0.000 0.241 2347 D C 1.341 177.833 176.300 0.319 0.000 1.346 2347 D CA -0.260 53.882 54.000 0.236 0.000 1.227 2347 D CB -1.031 39.932 40.800 0.271 0.000 0.926 2347 D HN -0.072 nan 8.370 nan 0.000 0.212 2348 Y N 2.092 122.445 120.300 0.088 0.000 1.559 2348 Y HA -0.446 4.104 4.550 -0.000 0.000 0.145 2348 Y C 2.312 178.259 175.900 0.078 0.000 0.873 2348 Y CA 2.733 60.661 58.100 -0.286 0.000 0.722 2348 Y CB -0.831 37.200 38.460 -0.716 0.000 0.665 2348 Y HN -0.095 nan 8.280 nan 0.000 0.664 2349 V N 0.513 120.745 119.914 0.530 0.000 2.311 2349 V HA -0.445 3.675 4.120 -0.000 0.000 0.256 2349 V C 2.257 178.450 176.094 0.165 0.000 1.077 2349 V CA 2.411 64.926 62.300 0.358 0.000 1.067 2349 V CB -1.242 30.724 31.823 0.237 0.000 0.659 2349 V HN 0.693 nan 8.190 nan 0.000 0.451 2350 Q N 0.556 120.446 119.800 0.150 0.000 1.956 2350 Q HA -0.289 4.050 4.340 -0.000 0.000 0.208 2350 Q C 2.140 178.166 176.000 0.044 0.000 0.998 2350 Q CA 2.812 58.662 55.803 0.078 0.000 0.855 2350 Q CB -0.800 28.002 28.738 0.106 0.000 0.928 2350 Q HN 0.859 nan 8.270 nan 0.000 0.418 2351 H N -0.649 118.447 119.070 0.043 0.000 2.265 2351 H HA -0.189 4.367 4.556 -0.000 0.000 0.293 2351 H C 1.709 176.987 175.328 -0.083 0.000 1.089 2351 H CA 2.137 58.188 56.048 0.006 0.000 1.244 2351 H CB -0.704 29.118 29.762 0.100 0.000 1.355 2351 H HN 0.353 nan 8.280 nan 0.000 0.485 2352 L N 0.739 121.918 121.223 -0.074 0.000 2.211 2352 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 2352 L C 2.581 179.309 176.870 -0.236 0.000 1.092 2352 L CA 2.151 56.905 54.840 -0.144 0.000 0.767 2352 L CB -1.046 41.153 42.059 0.234 0.000 0.894 2352 L HN 0.676 nan 8.230 nan 0.000 0.437 2353 S N -1.665 113.839 115.700 -0.327 0.000 2.486 2353 S HA 0.165 4.635 4.470 -0.000 0.000 0.220 2353 S C 1.670 175.967 174.600 -0.505 0.000 1.011 2353 S CA 0.454 58.269 58.200 -0.642 0.000 0.921 2353 S CB -0.142 62.308 63.200 -1.250 0.000 0.785 2353 S HN 0.597 nan 8.310 nan 0.000 0.517 2354 G N 0.775 109.375 108.800 -0.333 0.000 2.233 2354 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.270 2354 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.270 2354 G C -0.061 174.790 174.900 -0.081 0.000 1.011 2354 G CA 0.766 45.744 45.100 -0.203 0.000 0.762 2354 G HN 0.536 nan 8.290 nan 0.000 0.511 2355 Y N -1.030 119.174 120.300 -0.161 0.000 2.330 2355 Y HA 0.393 4.943 4.550 -0.000 0.000 0.341 2355 Y C 1.743 177.478 175.900 -0.275 0.000 1.278 2355 Y CA -0.352 57.625 58.100 -0.205 0.000 1.453 2355 Y CB 0.312 38.684 38.460 -0.145 0.000 1.342 2355 Y HN 0.276 nan 8.280 nan 0.000 0.590 2356 H N 0.014 119.012 119.070 -0.120 0.000 2.520 2356 H HA 0.039 4.595 4.556 -0.000 0.000 0.279 2356 H C -0.030 175.169 175.328 -0.216 0.000 0.990 2356 H CA -0.138 55.838 56.048 -0.121 0.000 1.288 2356 H CB 0.214 30.018 29.762 0.069 0.000 1.446 2356 H HN 0.418 nan 8.280 nan 0.000 0.538 2357 F N 2.647 122.207 119.950 -0.650 0.000 2.538 2357 F HA 0.093 4.619 4.527 -0.000 0.000 0.371 2357 F C 0.175 175.892 175.800 -0.139 0.000 1.087 2357 F CA -0.421 57.276 58.000 -0.505 0.000 1.250 2357 F CB 0.466 38.898 39.000 -0.946 0.000 1.110 2357 F HN -0.241 nan 8.300 nan 0.000 0.570 2358 K N 8.059 127.999 120.400 -0.766 0.000 2.292 2358 K HA 0.212 4.532 4.320 -0.000 0.000 0.290 2358 K C -0.380 175.761 176.600 -0.765 0.000 1.083 2358 K CA -0.368 55.597 56.287 -0.537 0.000 0.918 2358 K CB 0.323 32.629 32.500 -0.323 0.000 1.089 2358 K HN 0.715 nan 8.250 nan 0.000 0.473 2359 L N 3.804 124.878 121.223 -0.249 0.000 2.540 2359 L HA 0.021 4.360 4.340 -0.000 0.000 0.276 2359 L C 0.523 177.398 176.870 0.009 0.000 1.212 2359 L CA 0.717 55.583 54.840 0.044 0.000 0.893 2359 L CB 0.205 42.364 42.059 0.167 0.000 1.138 2359 L HN 0.472 nan 8.230 nan 0.000 0.491 2360 K N 3.345 123.805 120.400 0.100 0.000 2.259 2360 K HA 0.365 4.685 4.320 -0.000 0.000 0.252 2360 K C -1.198 175.512 176.600 0.183 0.000 0.936 2360 K CA -0.697 55.650 56.287 0.099 0.000 0.810 2360 K CB 1.604 34.141 32.500 0.062 0.000 1.143 2360 K HN 0.286 nan 8.250 nan 0.000 0.427 2361 F N 4.414 124.370 119.950 0.010 0.000 2.308 2361 F HA 0.370 4.897 4.527 -0.000 0.000 0.370 2361 F C -1.310 174.470 175.800 -0.032 0.000 1.100 2361 F CA -1.186 56.800 58.000 -0.024 0.000 1.108 2361 F CB 0.654 39.641 39.000 -0.021 0.000 1.293 2361 F HN 0.524 nan 8.300 nan 0.000 0.478 2362 D N 7.971 128.149 120.400 -0.370 0.000 2.375 2362 D HA 0.391 5.031 4.640 -0.000 0.000 0.241 2362 D C -2.486 173.545 176.300 -0.449 0.000 1.361 2362 D CA -1.919 51.813 54.000 -0.447 0.000 0.995 2362 D CB 2.117 42.829 40.800 -0.147 0.000 1.312 2362 D HN 0.176 nan 8.370 nan 0.000 0.576 2363 P HA -0.107 nan 4.420 nan 0.000 0.219 2363 P C 0.805 177.517 177.300 -0.980 0.000 1.146 2363 P CA 0.721 63.403 63.100 -0.697 0.000 0.808 2363 P CB 0.261 31.433 31.700 -0.879 0.000 0.779 2364 E N -0.693 118.993 120.200 -0.858 0.000 2.501 2364 E HA -0.116 4.233 4.350 -0.000 0.000 0.203 2364 E C 1.453 177.811 176.600 -0.404 0.000 1.072 2364 E CA 0.539 56.455 56.400 -0.806 0.000 0.885 2364 E CB -0.417 29.256 29.700 -0.045 0.000 0.813 2364 E HN 0.389 nan 8.360 nan 0.000 0.556 2365 L N -0.457 120.564 121.223 -0.336 0.000 2.375 2365 L HA -0.008 4.332 4.340 -0.000 0.000 0.215 2365 L C 1.899 178.719 176.870 -0.083 0.000 1.108 2365 L CA 0.402 55.165 54.840 -0.129 0.000 0.830 2365 L CB 0.049 42.052 42.059 -0.094 0.000 0.959 2365 L HN 0.127 nan 8.230 nan 0.000 0.457 2366 L N -1.586 119.553 121.223 -0.141 0.000 2.607 2366 L HA 0.102 4.442 4.340 -0.000 0.000 0.228 2366 L C 1.415 178.491 176.870 0.343 0.000 1.123 2366 L CA -0.004 54.862 54.840 0.044 0.000 0.890 2366 L CB -0.130 41.885 42.059 -0.073 0.000 1.103 2366 L HN 0.163 nan 8.230 nan 0.000 0.468 2367 F N 2.437 122.504 119.950 0.195 0.000 2.772 2367 F HA -0.057 4.469 4.527 -0.000 0.000 0.301 2367 F C 0.949 176.845 175.800 0.160 0.000 1.250 2367 F CA -0.069 58.050 58.000 0.197 0.000 1.441 2367 F CB -0.086 39.019 39.000 0.174 0.000 1.112 2367 F HN 0.478 nan 8.300 nan 0.000 0.563 2368 N N -1.713 117.181 118.700 0.323 0.000 2.194 2368 N HA -0.023 4.717 4.740 -0.000 0.000 0.233 2368 N C -0.803 174.815 175.510 0.181 0.000 1.392 2368 N CA -0.128 53.053 53.050 0.217 0.000 0.790 2368 N CB -0.269 38.325 38.487 0.178 0.000 1.291 2368 N HN 0.040 nan 8.380 nan 0.000 0.518 2369 Q N 0.818 120.745 119.800 0.212 0.000 2.331 2369 Q HA 0.289 4.629 4.340 -0.000 0.000 0.267 2369 Q C -0.341 175.789 176.000 0.216 0.000 1.006 2369 Q CA -0.179 55.728 55.803 0.173 0.000 0.818 2369 Q CB 2.196 31.010 28.738 0.127 0.000 1.276 2369 Q HN 0.246 nan 8.270 nan 0.000 0.450 2370 Q N 2.296 122.196 119.800 0.167 0.000 2.828 2370 Q HA 0.060 4.400 4.340 -0.000 0.000 0.234 2370 Q C -0.999 175.110 176.000 0.181 0.000 1.348 2370 Q CA 0.136 56.031 55.803 0.154 0.000 0.878 2370 Q CB -0.330 28.471 28.738 0.105 0.000 1.721 2370 Q HN 0.310 nan 8.270 nan 0.000 0.550 2371 F N 1.470 121.432 119.950 0.020 0.000 2.458 2371 F HA 0.244 4.771 4.527 -0.000 0.000 0.336 2371 F C -0.353 175.376 175.800 -0.119 0.000 1.114 2371 F CA -0.967 56.970 58.000 -0.105 0.000 0.987 2371 F CB 1.385 40.235 39.000 -0.249 0.000 1.130 2371 F HN 0.093 nan 8.300 nan 0.000 0.458 2372 Q N 6.366 125.619 119.800 -0.911 0.000 2.423 2372 Q HA 0.050 4.390 4.340 -0.000 0.000 0.235 2372 Q C -1.019 174.347 176.000 -1.055 0.000 1.100 2372 Q CA -0.029 55.358 55.803 -0.693 0.000 0.908 2372 Q CB 0.036 28.534 28.738 -0.399 0.000 1.312 2372 Q HN 0.698 nan 8.270 nan 0.000 0.497 2373 Y N 2.994 122.949 120.300 -0.574 0.000 2.790 2373 Y HA -0.082 4.467 4.550 -0.000 0.000 0.348 2373 Y C 1.033 176.821 175.900 -0.186 0.000 1.183 2373 Y CA 0.322 58.253 58.100 -0.282 0.000 2.002 2373 Y CB -0.116 38.363 38.460 0.031 0.000 2.086 2373 Y HN 0.408 nan 8.280 nan 0.000 0.412 2374 Q N 0.564 120.255 119.800 -0.183 0.000 2.633 2374 Q HA 0.467 4.807 4.340 -0.000 0.000 0.289 2374 Q C -2.014 173.911 176.000 -0.125 0.000 0.940 2374 Q CA -1.248 54.494 55.803 -0.102 0.000 0.785 2374 Q CB 2.161 30.847 28.738 -0.087 0.000 1.467 2374 Q HN 0.387 nan 8.270 nan 0.000 0.401 2375 N N -0.188 118.456 118.700 -0.092 0.000 2.446 2375 N HA 0.518 5.258 4.740 -0.000 0.000 0.272 2375 N C -2.204 173.276 175.510 -0.050 0.000 1.127 2375 N CA -0.458 52.540 53.050 -0.087 0.000 0.896 2375 N CB 2.223 40.649 38.487 -0.102 0.000 1.658 2375 N HN 0.603 nan 8.380 nan 0.000 0.483 2376 R N 3.057 123.544 120.500 -0.023 0.000 2.513 2376 R HA 0.574 4.914 4.340 -0.000 0.000 0.301 2376 R C -1.324 175.009 176.300 0.055 0.000 0.968 2376 R CA -0.536 55.637 56.100 0.123 0.000 0.872 2376 R CB 0.807 31.130 30.300 0.038 0.000 1.177 2376 R HN 0.584 nan 8.270 nan 0.000 0.444 2377 I N 3.470 124.063 120.570 0.039 0.000 2.471 2377 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 2377 I C 0.322 176.484 176.117 0.074 0.000 1.079 2377 I CA 0.424 61.674 61.300 -0.082 0.000 1.398 2377 I CB 1.399 39.309 38.000 -0.150 0.000 1.403 2377 I HN 0.742 nan 8.210 nan 0.000 0.530 2378 A N 4.718 127.472 122.820 -0.110 0.000 2.340 2378 A HA 0.299 4.619 4.320 -0.000 0.000 0.268 2378 A C 1.214 178.739 177.584 -0.098 0.000 1.100 2378 A CA -0.157 51.801 52.037 -0.131 0.000 0.803 2378 A CB 0.958 19.671 19.000 -0.477 0.000 1.043 2378 A HN 0.731 nan 8.150 nan 0.000 0.488 2379 S N 0.436 116.074 115.700 -0.104 0.000 2.353 2379 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 2379 S C 1.792 176.353 174.600 -0.064 0.000 1.035 2379 S CA 2.231 60.293 58.200 -0.230 0.000 1.025 2379 S CB -0.494 62.630 63.200 -0.125 0.000 0.902 2379 S HN 0.804 nan 8.310 nan 0.000 0.440 2380 E N 0.708 120.963 120.200 0.093 0.000 2.045 2380 E HA -0.200 4.149 4.350 -0.000 0.000 0.212 2380 E C 1.615 178.251 176.600 0.061 0.000 1.039 2380 E CA 1.790 58.307 56.400 0.194 0.000 0.860 2380 E CB -0.715 29.195 29.700 0.350 0.000 0.776 2380 E HN 0.550 nan 8.360 nan 0.000 0.467 2381 F N 1.821 121.670 119.950 -0.169 0.000 2.141 2381 F HA -0.347 4.179 4.527 -0.000 0.000 0.300 2381 F C 1.991 177.695 175.800 -0.160 0.000 1.079 2381 F CA 2.129 60.074 58.000 -0.092 0.000 1.264 2381 F CB -0.405 38.362 39.000 -0.389 0.000 1.011 2381 F HN 0.119 nan 8.300 nan 0.000 0.487 2382 N N -0.990 117.562 118.700 -0.245 0.000 2.106 2382 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 2382 N C 1.621 176.511 175.510 -1.034 0.000 1.029 2382 N CA 2.012 54.503 53.050 -0.931 0.000 0.848 2382 N CB -0.176 37.939 38.487 -0.620 0.000 1.007 2382 N HN 0.327 nan 8.380 nan 0.000 0.423 2383 T N 2.632 116.706 114.554 -0.800 0.000 2.643 2383 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 2383 T C 2.051 176.210 174.700 -0.902 0.000 1.045 2383 T CA 1.387 62.827 62.100 -1.099 0.000 1.155 2383 T CB -0.598 67.874 68.868 -0.660 0.000 0.863 2383 T HN 0.231 nan 8.240 nan 0.000 0.420 2384 L N 0.699 121.652 121.223 -0.449 0.000 2.211 2384 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 2384 L C 2.464 179.102 176.870 -0.386 0.000 1.092 2384 L CA 1.765 56.467 54.840 -0.231 0.000 0.767 2384 L CB -1.175 40.807 42.059 -0.129 0.000 0.894 2384 L HN 0.351 nan 8.230 nan 0.000 0.437 2385 Y N 0.884 120.636 120.300 -0.913 0.000 2.181 2385 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 2385 Y C 1.649 177.093 175.900 -0.761 0.000 1.146 2385 Y CA 0.675 58.065 58.100 -1.183 0.000 1.164 2385 Y CB -0.904 36.740 38.460 -1.359 0.000 0.982 2385 Y HN 0.188 nan 8.280 nan 0.000 0.515 2386 H N 0.965 119.309 119.070 -1.211 0.000 5.055 2386 H HA -0.158 4.398 4.556 -0.000 0.000 0.163 2386 H C -0.574 174.365 175.328 -0.650 0.000 0.878 2386 H CA -0.191 55.156 56.048 -1.168 0.000 1.395 2386 H CB -1.617 27.726 29.762 -0.698 0.000 1.592 2386 H HN 0.497 nan 8.280 nan 0.000 0.926 2387 W N 1.599 122.517 121.300 -0.638 0.000 2.960 2387 W HA 0.132 4.792 4.660 -0.000 0.000 0.442 2387 W C 0.984 177.408 176.519 -0.158 0.000 0.774 2387 W CA -1.059 56.152 57.345 -0.224 0.000 2.207 2387 W CB -1.097 28.387 29.460 0.041 0.000 1.159 2387 W HN 0.686 nan 8.180 nan 0.000 0.845 2388 H N 1.235 120.441 119.070 0.226 0.000 2.321 2388 H HA -0.213 4.343 4.556 -0.000 0.000 0.295 2388 H C -0.225 175.181 175.328 0.130 0.000 1.102 2388 H CA 2.271 58.421 56.048 0.170 0.000 1.266 2388 H CB -1.756 28.090 29.762 0.139 0.000 1.363 2388 H HN -0.056 nan 8.280 nan 0.000 0.492 2389 P HA -0.230 nan 4.420 nan 0.000 0.219 2389 P C 1.362 178.643 177.300 -0.032 0.000 1.151 2389 P CA 1.391 64.494 63.100 0.005 0.000 0.850 2389 P CB -0.135 31.512 31.700 -0.090 0.000 0.784 2390 L N -1.702 119.536 121.223 0.025 0.000 2.042 2390 L HA -0.125 4.214 4.340 -0.000 0.000 0.210 2390 L C 1.687 178.614 176.870 0.095 0.000 1.076 2390 L CA 0.540 55.397 54.840 0.028 0.000 0.749 2390 L CB -0.963 41.179 42.059 0.138 0.000 0.893 2390 L HN 0.031 nan 8.230 nan 0.000 0.432 2391 L N 1.979 123.304 121.223 0.169 0.000 2.601 2391 L HA -0.018 4.322 4.340 -0.000 0.000 0.277 2391 L C -1.548 175.485 176.870 0.271 0.000 1.219 2391 L CA -0.967 54.014 54.840 0.236 0.000 0.915 2391 L CB 0.336 42.627 42.059 0.386 0.000 1.160 2391 L HN -0.065 nan 8.230 nan 0.000 0.494 2392 P HA 0.065 nan 4.420 nan 0.000 0.293 2392 P C -0.476 176.908 177.300 0.140 0.000 1.298 2392 P CA -0.260 62.932 63.100 0.154 0.000 0.757 2392 P CB 0.853 32.468 31.700 -0.143 0.000 1.262 2393 D N -1.848 118.552 120.400 -0.001 0.000 2.355 2393 D HA 0.043 4.683 4.640 -0.000 0.000 0.206 2393 D C 0.706 176.980 176.300 -0.042 0.000 1.010 2393 D CA 1.141 55.144 54.000 0.005 0.000 0.875 2393 D CB 0.465 41.234 40.800 -0.051 0.000 0.966 2393 D HN 0.504 nan 8.370 nan 0.000 0.512 2394 T N -2.250 112.146 114.554 -0.263 0.000 2.841 2394 T HA 0.586 4.935 4.350 -0.000 0.000 0.296 2394 T C -1.165 173.180 174.700 -0.592 0.000 1.166 2394 T CA -0.852 61.068 62.100 -0.300 0.000 1.007 2394 T CB 1.501 70.275 68.868 -0.158 0.000 1.253 2394 T HN -0.184 nan 8.240 nan 0.000 0.511 2395 F N 1.444 121.337 119.950 -0.095 0.000 2.430 2395 F HA 0.410 4.937 4.527 -0.000 0.000 0.362 2395 F C 0.275 176.037 175.800 -0.064 0.000 1.103 2395 F CA -0.966 56.926 58.000 -0.179 0.000 1.045 2395 F CB 1.043 39.536 39.000 -0.844 0.000 1.276 2395 F HN 0.568 nan 8.300 nan 0.000 0.444 2396 N N 4.987 123.743 118.700 0.094 0.000 2.439 2396 N HA 0.322 5.061 4.740 -0.000 0.000 0.243 2396 N C -1.033 174.463 175.510 -0.024 0.000 1.088 2396 N CA -0.446 52.612 53.050 0.013 0.000 0.940 2396 N CB 0.991 39.460 38.487 -0.029 0.000 1.180 2396 N HN 0.280 nan 8.380 nan 0.000 0.505 2397 I N 2.086 122.624 120.570 -0.054 0.000 2.330 2397 I HA 0.227 4.396 4.170 -0.000 0.000 0.286 2397 I C 1.086 177.203 176.117 -0.001 0.000 1.025 2397 I CA 0.032 61.192 61.300 -0.232 0.000 1.197 2397 I CB -0.394 37.278 38.000 -0.546 0.000 1.358 2397 I HN 0.794 nan 8.210 nan 0.000 0.467 2398 E N 3.175 123.359 120.200 -0.027 0.000 3.148 2398 E HA -0.314 4.036 4.350 -0.000 0.000 0.342 2398 E C 0.360 176.958 176.600 -0.003 0.000 1.461 2398 E CA 1.920 58.329 56.400 0.015 0.000 1.588 2398 E CB -0.350 29.394 29.700 0.073 0.000 1.798 2398 E HN 0.679 nan 8.360 nan 0.000 0.512 2399 D N 0.768 121.164 120.400 -0.006 0.000 2.088 2399 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 2399 D C 0.530 176.790 176.300 -0.066 0.000 0.983 2399 D CA 1.212 55.189 54.000 -0.038 0.000 0.846 2399 D CB -0.452 40.320 40.800 -0.046 0.000 0.992 2399 D HN 0.193 nan 8.370 nan 0.000 0.448 2400 Q N 0.577 120.335 119.800 -0.070 0.000 2.448 2400 Q HA -0.036 4.304 4.340 -0.000 0.000 0.336 2400 Q C -0.077 175.732 176.000 -0.317 0.000 1.277 2400 Q CA 1.122 56.779 55.803 -0.242 0.000 1.033 2400 Q CB 0.240 28.788 28.738 -0.316 0.000 1.286 2400 Q HN 0.337 nan 8.270 nan 0.000 0.448 2401 E N 0.184 120.070 120.200 -0.523 0.000 2.304 2401 E HA 0.362 4.712 4.350 -0.000 0.000 0.277 2401 E C -1.437 174.869 176.600 -0.489 0.000 0.898 2401 E CA -0.264 55.928 56.400 -0.347 0.000 0.764 2401 E CB 1.242 30.819 29.700 -0.206 0.000 1.216 2401 E HN 0.386 nan 8.360 nan 0.000 0.419 2402 Y N 0.016 120.275 120.300 -0.068 0.000 2.598 2402 Y HA 0.423 4.972 4.550 -0.000 0.000 0.340 2402 Y C 0.556 176.499 175.900 0.073 0.000 1.038 2402 Y CA -0.804 57.292 58.100 -0.007 0.000 1.100 2402 Y CB 1.915 40.340 38.460 -0.059 0.000 1.281 2402 Y HN 0.429 nan 8.280 nan 0.000 0.488 2403 S N -0.196 115.711 115.700 0.346 0.000 2.681 2403 S HA 0.419 4.889 4.470 -0.000 0.000 0.299 2403 S C 0.291 175.238 174.600 0.580 0.000 1.113 2403 S CA -0.625 57.799 58.200 0.373 0.000 1.013 2403 S CB 0.652 63.990 63.200 0.230 0.000 1.076 2403 S HN 0.479 nan 8.310 nan 0.000 0.534 2404 F N 1.661 121.797 119.950 0.309 0.000 2.065 2404 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 2404 F C 2.279 178.206 175.800 0.211 0.000 1.112 2404 F CA 1.684 59.917 58.000 0.389 0.000 1.212 2404 F CB -1.248 37.917 39.000 0.275 0.000 0.975 2404 F HN 0.561 nan 8.300 nan 0.000 0.476 2405 K N 0.188 120.796 120.400 0.347 0.000 2.173 2405 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 2405 K C 1.882 178.556 176.600 0.123 0.000 1.046 2405 K CA 1.573 57.958 56.287 0.162 0.000 0.929 2405 K CB -0.561 32.013 32.500 0.123 0.000 0.720 2405 K HN 0.435 nan 8.250 nan 0.000 0.453 2406 Q N -0.714 119.216 119.800 0.217 0.000 1.990 2406 Q HA -0.003 4.337 4.340 -0.000 0.000 0.195 2406 Q C 1.886 178.006 176.000 0.200 0.000 0.977 2406 Q CA 0.728 56.664 55.803 0.221 0.000 0.828 2406 Q CB -0.315 28.632 28.738 0.349 0.000 0.896 2406 Q HN 0.121 nan 8.270 nan 0.000 0.447 2407 F N 1.907 121.874 119.950 0.029 0.000 2.045 2407 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 2407 F C 0.949 176.618 175.800 -0.219 0.000 1.114 2407 F CA 1.017 58.914 58.000 -0.171 0.000 1.207 2407 F CB -0.724 38.107 39.000 -0.282 0.000 0.964 2407 F HN 0.067 nan 8.300 nan 0.000 0.486 2408 L N 1.442 122.606 121.223 -0.098 0.000 2.747 2408 L HA -0.260 4.080 4.340 -0.000 0.000 0.286 2408 L C 0.598 177.168 176.870 -0.500 0.000 1.216 2408 L CA 0.775 55.360 54.840 -0.425 0.000 0.930 2408 L CB -1.042 40.560 42.059 -0.762 0.000 1.216 2408 L HN 0.559 nan 8.230 nan 0.000 0.486 2409 Y N 0.557 120.803 120.300 -0.090 0.000 4.236 2409 Y HA -0.304 4.246 4.550 -0.000 0.000 0.220 2409 Y C 0.912 176.710 175.900 -0.171 0.000 1.115 2409 Y CA 0.287 58.316 58.100 -0.118 0.000 1.811 2409 Y CB -1.544 36.888 38.460 -0.046 0.000 1.581 2409 Y HN 0.731 nan 8.280 nan 0.000 0.643 2410 N N 1.726 120.356 118.700 -0.117 0.000 3.228 2410 N HA 0.156 4.896 4.740 -0.000 0.000 0.289 2410 N C 0.209 175.584 175.510 -0.225 0.000 1.419 2410 N CA -0.086 52.883 53.050 -0.134 0.000 1.088 2410 N CB -0.274 38.165 38.487 -0.079 0.000 1.357 2410 N HN 0.526 nan 8.380 nan 0.000 0.504 2411 N N -0.612 117.907 118.700 -0.300 0.000 2.520 2411 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 2411 N C 1.394 176.707 175.510 -0.327 0.000 1.068 2411 N CA 0.188 53.004 53.050 -0.390 0.000 0.911 2411 N CB 0.276 38.413 38.487 -0.584 0.000 0.961 2411 N HN 0.235 nan 8.380 nan 0.000 0.446 2412 S N 1.080 116.636 115.700 -0.240 0.000 2.387 2412 S HA -0.100 4.370 4.470 -0.000 0.000 0.230 2412 S C 1.815 176.372 174.600 -0.071 0.000 1.035 2412 S CA 0.810 58.920 58.200 -0.151 0.000 1.014 2412 S CB -0.094 63.056 63.200 -0.083 0.000 0.836 2412 S HN 0.241 nan 8.310 nan 0.000 0.466 2413 I N 0.878 121.404 120.570 -0.073 0.000 2.069 2413 I HA -0.231 3.938 4.170 -0.000 0.000 0.237 2413 I C 2.317 178.510 176.117 0.126 0.000 1.053 2413 I CA 1.159 62.445 61.300 -0.023 0.000 1.311 2413 I CB -0.545 37.368 38.000 -0.145 0.000 1.030 2413 I HN 0.318 nan 8.210 nan 0.000 0.398 2414 L N 0.870 122.128 121.223 0.058 0.000 2.010 2414 L HA -0.279 4.061 4.340 -0.000 0.000 0.219 2414 L C 2.344 179.217 176.870 0.004 0.000 1.077 2414 L CA 1.966 56.731 54.840 -0.124 0.000 0.773 2414 L CB -0.909 40.853 42.059 -0.496 0.000 0.892 2414 L HN 0.199 nan 8.230 nan 0.000 0.436 2415 L N -0.931 120.223 121.223 -0.115 0.000 2.042 2415 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 2415 L C 2.676 179.586 176.870 0.065 0.000 1.076 2415 L CA 1.725 56.495 54.840 -0.117 0.000 0.749 2415 L CB -0.555 41.382 42.059 -0.204 0.000 0.893 2415 L HN 0.476 nan 8.230 nan 0.000 0.432 2416 E N -0.455 119.825 120.200 0.135 0.000 2.023 2416 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 2416 E C 2.086 178.848 176.600 0.270 0.000 1.003 2416 E CA 1.886 58.415 56.400 0.215 0.000 0.809 2416 E CB -0.009 29.877 29.700 0.310 0.000 0.755 2416 E HN 0.574 nan 8.360 nan 0.000 0.449 2417 H N -1.321 117.845 119.070 0.160 0.000 2.403 2417 H HA 0.209 4.765 4.556 -0.000 0.000 0.298 2417 H C 0.886 176.322 175.328 0.181 0.000 1.059 2417 H CA 0.993 57.132 56.048 0.153 0.000 1.363 2417 H CB 0.124 29.956 29.762 0.117 0.000 1.410 2417 H HN 0.340 nan 8.280 nan 0.000 0.528 2418 G N -0.520 108.512 108.800 0.385 0.000 2.617 2418 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 2418 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 2418 G C 0.337 175.403 174.900 0.276 0.000 1.214 2418 G CA -0.218 45.048 45.100 0.278 0.000 0.796 2418 G HN 0.192 nan 8.290 nan 0.000 0.654 2419 L N 1.228 122.529 121.223 0.130 0.000 2.012 2419 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 2419 L C 3.296 180.223 176.870 0.095 0.000 1.073 2419 L CA 3.281 58.142 54.840 0.035 0.000 0.748 2419 L CB -1.695 40.318 42.059 -0.077 0.000 0.891 2419 L HN 0.967 nan 8.230 nan 0.000 0.431 2420 T N -1.684 112.911 114.554 0.069 0.000 2.635 2420 T HA -0.274 4.076 4.350 -0.000 0.000 0.267 2420 T C 1.854 176.606 174.700 0.085 0.000 1.040 2420 T CA 1.121 63.256 62.100 0.058 0.000 1.156 2420 T CB -0.286 68.607 68.868 0.041 0.000 0.863 2420 T HN 0.211 nan 8.240 nan 0.000 0.430 2421 Q N 0.250 120.119 119.800 0.115 0.000 1.967 2421 Q HA 0.002 4.341 4.340 -0.000 0.000 0.202 2421 Q C 2.146 178.170 176.000 0.039 0.000 0.985 2421 Q CA 1.411 57.263 55.803 0.082 0.000 0.839 2421 Q CB -0.915 27.890 28.738 0.112 0.000 0.906 2421 Q HN 0.547 nan 8.270 nan 0.000 0.423 2422 F N 0.281 120.163 119.950 -0.113 0.000 2.079 2422 F HA -0.356 4.171 4.527 -0.000 0.000 0.296 2422 F C 2.416 178.096 175.800 -0.201 0.000 1.084 2422 F CA 1.631 59.450 58.000 -0.301 0.000 1.236 2422 F CB -0.731 38.137 39.000 -0.219 0.000 0.984 2422 F HN -0.087 nan 8.300 nan 0.000 0.488 2423 V N -0.150 119.859 119.914 0.157 0.000 2.221 2423 V HA -0.351 3.769 4.120 -0.000 0.000 0.244 2423 V C 2.127 178.294 176.094 0.121 0.000 1.043 2423 V CA 2.288 64.664 62.300 0.126 0.000 0.996 2423 V CB -0.976 30.880 31.823 0.055 0.000 0.636 2423 V HN 0.318 nan 8.190 nan 0.000 0.454 2424 E N 0.567 120.818 120.200 0.085 0.000 2.082 2424 E HA -0.295 4.055 4.350 -0.000 0.000 0.215 2424 E C 2.292 178.947 176.600 0.091 0.000 1.048 2424 E CA 2.213 58.669 56.400 0.094 0.000 0.869 2424 E CB -0.484 29.256 29.700 0.067 0.000 0.773 2424 E HN 0.575 nan 8.360 nan 0.000 0.466 2425 S N 0.647 116.354 115.700 0.012 0.000 2.404 2425 S HA -0.210 4.260 4.470 -0.000 0.000 0.230 2425 S C 1.756 176.438 174.600 0.136 0.000 1.046 2425 S CA 1.550 59.736 58.200 -0.023 0.000 1.135 2425 S CB -0.620 62.433 63.200 -0.245 0.000 1.056 2425 S HN 0.179 nan 8.310 nan 0.000 0.426 2426 F N 2.260 122.281 119.950 0.118 0.000 2.236 2426 F HA -0.101 4.426 4.527 -0.000 0.000 0.302 2426 F C 2.693 178.597 175.800 0.174 0.000 1.073 2426 F CA 0.797 58.912 58.000 0.191 0.000 1.336 2426 F CB -1.885 37.285 39.000 0.283 0.000 1.040 2426 F HN 0.193 nan 8.300 nan 0.000 0.507 2427 T N 0.300 115.048 114.554 0.324 0.000 3.025 2427 T HA -0.141 4.208 4.350 -0.000 0.000 0.270 2427 T C 1.914 176.744 174.700 0.217 0.000 1.126 2427 T CA 1.277 63.519 62.100 0.236 0.000 1.105 2427 T CB -0.152 68.831 68.868 0.191 0.000 0.884 2427 T HN 0.469 nan 8.240 nan 0.000 0.522 2428 R N 0.916 121.537 120.500 0.203 0.000 2.243 2428 R HA 0.207 4.546 4.340 -0.000 0.000 0.193 2428 R C 1.317 177.699 176.300 0.136 0.000 0.933 2428 R CA -0.191 55.998 56.100 0.149 0.000 1.105 2428 R CB -0.365 29.999 30.300 0.106 0.000 1.169 2428 R HN 0.251 nan 8.270 nan 0.000 0.599 2429 Q N 2.824 122.723 119.800 0.165 0.000 2.477 2429 Q HA -0.029 4.311 4.340 -0.000 0.000 0.276 2429 Q C -0.058 176.015 176.000 0.121 0.000 1.317 2429 Q CA -0.173 55.710 55.803 0.133 0.000 0.963 2429 Q CB -0.302 28.557 28.738 0.201 0.000 1.451 2429 Q HN 0.362 nan 8.270 nan 0.000 0.492 2430 I N 2.721 123.345 120.570 0.089 0.000 3.055 2430 I HA -0.088 4.082 4.170 -0.000 0.000 0.308 2430 I C -0.306 175.920 176.117 0.182 0.000 1.224 2430 I CA 0.831 62.199 61.300 0.114 0.000 1.443 2430 I CB 0.475 38.544 38.000 0.115 0.000 1.318 2430 I HN 0.659 nan 8.210 nan 0.000 0.577 2431 A N 5.792 128.701 122.820 0.149 0.000 2.306 2431 A HA 0.718 5.037 4.320 -0.000 0.000 0.330 2431 A C 0.240 177.861 177.584 0.061 0.000 1.146 2431 A CA -0.163 51.962 52.037 0.146 0.000 0.827 2431 A CB 0.590 19.613 19.000 0.038 0.000 1.178 2431 A HN 1.049 nan 8.150 nan 0.000 0.490 2432 G N 0.671 109.429 108.800 -0.070 0.000 2.398 2432 G HA2 0.377 4.337 3.960 -0.000 0.000 0.246 2432 G HA3 0.377 4.337 3.960 -0.000 0.000 0.246 2432 G C 0.438 175.102 174.900 -0.393 0.000 1.289 2432 G CA -0.379 44.405 45.100 -0.528 0.000 0.869 2432 G HN 0.875 nan 8.290 nan 0.000 0.543 2433 R N 0.920 121.160 120.500 -0.434 0.000 2.861 2433 R HA 0.139 4.479 4.340 -0.000 0.000 0.268 2433 R C 0.448 176.527 176.300 -0.367 0.000 1.027 2433 R CA -0.095 55.768 56.100 -0.394 0.000 1.163 2433 R CB 0.528 30.628 30.300 -0.333 0.000 1.060 2433 R HN 0.297 nan 8.270 nan 0.000 0.483 2434 V N 1.106 120.780 119.914 -0.400 0.000 3.371 2434 V HA 0.077 4.197 4.120 -0.000 0.000 0.246 2434 V C 1.400 177.376 176.094 -0.195 0.000 1.303 2434 V CA 1.040 63.161 62.300 -0.297 0.000 1.156 2434 V CB 0.477 32.074 31.823 -0.376 0.000 0.929 2434 V HN 0.885 nan 8.190 nan 0.000 0.459 2435 A N 0.677 123.378 122.820 -0.199 0.000 2.030 2435 A HA 0.210 4.530 4.320 -0.000 0.000 0.215 2435 A C 2.245 179.764 177.584 -0.108 0.000 1.164 2435 A CA 1.337 53.315 52.037 -0.099 0.000 0.697 2435 A CB -0.775 18.201 19.000 -0.040 0.000 0.827 2435 A HN 0.485 nan 8.150 nan 0.000 0.457 2436 G N -0.021 108.694 108.800 -0.141 0.000 2.574 2436 G HA2 0.249 4.208 3.960 -0.000 0.000 0.220 2436 G HA3 0.249 4.208 3.960 -0.000 0.000 0.220 2436 G C 0.998 175.835 174.900 -0.104 0.000 1.173 2436 G CA 1.139 46.166 45.100 -0.123 0.000 0.772 2436 G HN 1.809 nan 8.290 nan 0.000 0.585 2437 G N -2.120 106.614 108.800 -0.111 0.000 2.334 2437 G HA2 0.360 4.319 3.960 -0.000 0.000 0.566 2437 G HA3 0.360 4.319 3.960 -0.000 0.000 0.566 2437 G C 0.013 174.859 174.900 -0.090 0.000 1.413 2437 G CA -0.154 44.891 45.100 -0.092 0.000 0.993 2437 G HN 1.111 nan 8.290 nan 0.000 0.642 2438 R N -0.608 119.849 120.500 -0.072 0.000 2.916 2438 R HA -0.252 4.087 4.340 -0.000 0.000 0.232 2438 R C 0.183 176.439 176.300 -0.075 0.000 0.833 2438 R CA 1.135 57.199 56.100 -0.061 0.000 0.566 2438 R CB -1.208 29.061 30.300 -0.051 0.000 1.058 2438 R HN 0.531 nan 8.270 nan 0.000 0.498 2439 N N 0.099 118.748 118.700 -0.084 0.000 2.377 2439 N HA 0.112 4.852 4.740 -0.000 0.000 0.259 2439 N C -1.144 174.325 175.510 -0.068 0.000 1.332 2439 N CA -0.246 52.736 53.050 -0.114 0.000 0.877 2439 N CB 1.164 39.538 38.487 -0.189 0.000 1.299 2439 N HN 0.183 nan 8.380 nan 0.000 0.501 2440 V N 2.504 122.405 119.914 -0.022 0.000 2.348 2440 V HA 0.411 4.531 4.120 -0.000 0.000 0.270 2440 V C -1.950 174.145 176.094 0.002 0.000 1.037 2440 V CA -1.723 60.594 62.300 0.029 0.000 0.872 2440 V CB 1.032 32.889 31.823 0.056 0.000 1.002 2440 V HN 0.142 nan 8.190 nan 0.000 0.464 2441 P HA -0.028 nan 4.420 nan 0.000 0.266 2441 P C 0.711 177.944 177.300 -0.113 0.000 1.180 2441 P CA 0.295 63.357 63.100 -0.065 0.000 0.765 2441 P CB 0.599 32.279 31.700 -0.032 0.000 0.806 2442 I N 2.263 122.732 120.570 -0.168 0.000 2.617 2442 I HA -0.135 4.034 4.170 -0.000 0.000 0.256 2442 I C 2.247 178.272 176.117 -0.153 0.000 1.167 2442 I CA 1.418 62.638 61.300 -0.134 0.000 1.469 2442 I CB -1.160 36.770 38.000 -0.117 0.000 1.098 2442 I HN 0.357 nan 8.210 nan 0.000 0.436 2443 A N -0.023 122.632 122.820 -0.275 0.000 1.902 2443 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 2443 A C 2.316 179.873 177.584 -0.045 0.000 1.181 2443 A CA 1.572 53.487 52.037 -0.203 0.000 0.623 2443 A CB -0.967 17.763 19.000 -0.450 0.000 0.818 2443 A HN 0.228 nan 8.150 nan 0.000 0.443 2444 V N 0.389 120.281 119.914 -0.037 0.000 3.444 2444 V HA -0.202 3.917 4.120 -0.000 0.000 0.271 2444 V C 2.234 178.264 176.094 -0.106 0.000 1.188 2444 V CA 1.311 63.602 62.300 -0.015 0.000 1.168 2444 V CB -0.813 31.021 31.823 0.020 0.000 0.810 2444 V HN 0.616 nan 8.190 nan 0.000 0.500 2445 Q N 0.415 120.169 119.800 -0.077 0.000 1.968 2445 Q HA -0.400 3.940 4.340 -0.000 0.000 0.216 2445 Q C 2.406 178.363 176.000 -0.072 0.000 1.037 2445 Q CA 2.851 58.614 55.803 -0.066 0.000 0.889 2445 Q CB -0.444 28.265 28.738 -0.048 0.000 0.998 2445 Q HN 0.640 nan 8.270 nan 0.000 0.417 2446 A N -0.116 122.673 122.820 -0.053 0.000 1.894 2446 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 2446 A C 2.246 179.779 177.584 -0.085 0.000 1.237 2446 A CA 2.430 54.438 52.037 -0.049 0.000 0.660 2446 A CB -1.328 17.656 19.000 -0.027 0.000 0.835 2446 A HN 0.353 nan 8.150 nan 0.000 0.461 2447 V N -0.479 119.357 119.914 -0.130 0.000 2.215 2447 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 2447 V C 3.071 179.019 176.094 -0.244 0.000 1.047 2447 V CA 2.618 64.791 62.300 -0.211 0.000 0.999 2447 V CB -1.454 30.184 31.823 -0.308 0.000 0.635 2447 V HN 0.748 nan 8.190 nan 0.000 0.450 2448 A N -0.838 121.774 122.820 -0.346 0.000 1.971 2448 A HA -0.375 3.944 4.320 -0.000 0.000 0.222 2448 A C 2.324 179.948 177.584 0.066 0.000 1.182 2448 A CA 2.671 54.677 52.037 -0.051 0.000 0.649 2448 A CB -0.674 18.344 19.000 0.030 0.000 0.818 2448 A HN 0.578 nan 8.150 nan 0.000 0.458 2449 K N -0.639 119.758 120.400 -0.004 0.000 1.985 2449 K HA -0.107 4.212 4.320 -0.000 0.000 0.210 2449 K C 2.327 178.924 176.600 -0.005 0.000 1.047 2449 K CA 1.256 57.555 56.287 0.020 0.000 0.932 2449 K CB -0.438 32.061 32.500 -0.003 0.000 0.716 2449 K HN 0.391 nan 8.250 nan 0.000 0.439 2450 A N 1.296 124.084 122.820 -0.054 0.000 1.859 2450 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 2450 A C 2.145 179.661 177.584 -0.114 0.000 1.209 2450 A CA 2.771 54.764 52.037 -0.073 0.000 0.639 2450 A CB -1.169 17.774 19.000 -0.094 0.000 0.835 2450 A HN 0.492 nan 8.150 nan 0.000 0.450 2451 S N -0.091 115.481 115.700 -0.212 0.000 2.422 2451 S HA -0.283 4.187 4.470 -0.000 0.000 0.241 2451 S C 1.674 176.095 174.600 -0.298 0.000 1.076 2451 S CA 2.073 60.037 58.200 -0.394 0.000 1.066 2451 S CB -0.743 62.031 63.200 -0.711 0.000 0.890 2451 S HN 0.554 nan 8.310 nan 0.000 0.465 2452 I N 1.536 122.079 120.570 -0.047 0.000 2.270 2452 I HA -0.076 4.094 4.170 -0.000 0.000 0.239 2452 I C 2.107 178.227 176.117 0.006 0.000 1.080 2452 I CA 0.891 62.233 61.300 0.069 0.000 1.383 2452 I CB -0.503 37.595 38.000 0.163 0.000 1.097 2452 I HN 0.046 nan 8.210 nan 0.000 0.420 2453 D N 1.262 121.664 120.400 0.004 0.000 2.160 2453 D HA -0.251 4.388 4.640 -0.000 0.000 0.189 2453 D C 2.084 178.379 176.300 -0.008 0.000 1.003 2453 D CA 1.589 55.591 54.000 0.002 0.000 0.846 2453 D CB -0.633 40.166 40.800 -0.003 0.000 0.949 2453 D HN 0.481 nan 8.370 nan 0.000 0.446 2454 Q N 0.784 120.563 119.800 -0.035 0.000 1.935 2454 Q HA -0.176 4.164 4.340 -0.000 0.000 0.212 2454 Q C 2.423 178.411 176.000 -0.020 0.000 1.008 2454 Q CA 2.003 57.786 55.803 -0.033 0.000 0.868 2454 Q CB -0.698 28.003 28.738 -0.062 0.000 0.946 2454 Q HN 0.288 nan 8.270 nan 0.000 0.418 2455 S N 1.252 116.877 115.700 -0.125 0.000 2.421 2455 S HA -0.268 4.202 4.470 -0.000 0.000 0.239 2455 S C 1.855 176.523 174.600 0.113 0.000 1.054 2455 S CA 1.834 59.931 58.200 -0.172 0.000 1.035 2455 S CB -0.450 62.377 63.200 -0.622 0.000 0.840 2455 S HN 0.284 nan 8.310 nan 0.000 0.475 2456 R N 1.380 121.911 120.500 0.051 0.000 2.062 2456 R HA -0.071 4.268 4.340 -0.000 0.000 0.231 2456 R C 2.593 178.941 176.300 0.079 0.000 1.136 2456 R CA 1.713 57.861 56.100 0.080 0.000 0.948 2456 R CB -0.349 29.982 30.300 0.051 0.000 0.845 2456 R HN 0.672 nan 8.270 nan 0.000 0.430 2457 E N 0.627 120.859 120.200 0.054 0.000 2.049 2457 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 2457 E C 1.434 178.057 176.600 0.039 0.000 1.007 2457 E CA 1.378 57.800 56.400 0.037 0.000 0.809 2457 E CB -0.301 29.412 29.700 0.020 0.000 0.749 2457 E HN 0.320 nan 8.360 nan 0.000 0.450 2458 M N 1.520 121.162 119.600 0.069 0.000 2.804 2458 M HA 0.017 4.497 4.480 -0.000 0.000 0.208 2458 M C -0.434 175.919 176.300 0.087 0.000 1.109 2458 M CA 0.365 55.699 55.300 0.057 0.000 1.029 2458 M CB -0.278 32.406 32.600 0.140 0.000 1.806 2458 M HN -0.094 nan 8.290 nan 0.000 0.491 2459 K N -0.508 119.946 120.400 0.091 0.000 3.196 2459 K HA -0.230 4.090 4.320 -0.000 0.000 0.261 2459 K C -0.591 176.094 176.600 0.141 0.000 0.872 2459 K CA 0.931 57.272 56.287 0.091 0.000 0.645 2459 K CB -2.359 30.157 32.500 0.027 0.000 1.433 2459 K HN 0.406 nan 8.250 nan 0.000 0.471 2460 Y N 0.891 121.233 120.300 0.070 0.000 2.641 2460 Y HA -0.153 4.397 4.550 -0.000 0.000 0.351 2460 Y C 1.869 177.894 175.900 0.209 0.000 1.269 2460 Y CA 0.915 59.114 58.100 0.164 0.000 1.485 2460 Y CB 0.451 38.984 38.460 0.122 0.000 1.364 2460 Y HN 0.222 nan 8.280 nan 0.000 0.651 2461 Q N 0.020 120.142 119.800 0.536 0.000 2.162 2461 Q HA 0.290 4.630 4.340 -0.000 0.000 0.197 2461 Q C -0.244 175.968 176.000 0.353 0.000 1.013 2461 Q CA -0.745 55.207 55.803 0.248 0.000 1.040 2461 Q CB 1.239 29.868 28.738 -0.181 0.000 1.114 2461 Q HN 0.720 nan 8.270 nan 0.000 0.547 2462 S N -0.215 115.583 115.700 0.162 0.000 2.579 2462 S HA -0.008 4.462 4.470 -0.000 0.000 0.275 2462 S C 0.881 175.622 174.600 0.235 0.000 1.345 2462 S CA -0.367 57.932 58.200 0.164 0.000 1.031 2462 S CB 0.473 63.715 63.200 0.070 0.000 0.892 2462 S HN 0.637 nan 8.310 nan 0.000 0.529 2463 L N 3.705 125.032 121.223 0.174 0.000 2.201 2463 L HA -0.009 4.331 4.340 -0.000 0.000 0.212 2463 L C 1.910 178.825 176.870 0.075 0.000 1.105 2463 L CA 1.858 56.787 54.840 0.149 0.000 0.775 2463 L CB -0.644 41.438 42.059 0.038 0.000 0.913 2463 L HN 0.854 nan 8.230 nan 0.000 0.440 2464 N N -0.903 117.807 118.700 0.016 0.000 2.270 2464 N HA -0.147 4.593 4.740 -0.000 0.000 0.181 2464 N C 1.553 177.046 175.510 -0.028 0.000 1.016 2464 N CA 0.838 53.864 53.050 -0.040 0.000 0.870 2464 N CB 0.094 38.552 38.487 -0.047 0.000 0.979 2464 N HN 0.371 nan 8.380 nan 0.000 0.431 2465 E N 0.555 120.743 120.200 -0.020 0.000 2.015 2465 E HA -0.153 4.196 4.350 -0.000 0.000 0.191 2465 E C 1.532 178.080 176.600 -0.088 0.000 0.991 2465 E CA 1.226 57.565 56.400 -0.102 0.000 0.802 2465 E CB -0.639 28.942 29.700 -0.198 0.000 0.759 2465 E HN 0.496 nan 8.360 nan 0.000 0.447 2466 Y N 1.003 121.329 120.300 0.043 0.000 2.483 2466 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 2466 Y C 2.530 178.456 175.900 0.045 0.000 1.143 2466 Y CA 0.995 59.142 58.100 0.078 0.000 1.289 2466 Y CB -0.118 38.373 38.460 0.051 0.000 0.983 2466 Y HN -0.011 nan 8.280 nan 0.000 0.556 2467 R N -0.002 120.560 120.500 0.103 0.000 2.052 2467 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 2467 R C 2.234 178.556 176.300 0.038 0.000 1.145 2467 R CA 1.051 57.151 56.100 0.001 0.000 0.952 2467 R CB -0.139 30.082 30.300 -0.132 0.000 0.847 2467 R HN 0.210 nan 8.270 nan 0.000 0.431 2468 K N 0.230 120.630 120.400 -0.001 0.000 2.044 2468 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 2468 K C 2.155 178.766 176.600 0.019 0.000 1.049 2468 K CA 1.265 57.542 56.287 -0.017 0.000 0.927 2468 K CB -0.177 32.291 32.500 -0.054 0.000 0.713 2468 K HN -0.085 nan 8.250 nan 0.000 0.443 2469 R N 1.058 121.591 120.500 0.055 0.000 2.136 2469 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 2469 R C 1.216 177.532 176.300 0.028 0.000 1.131 2469 R CA 1.727 57.862 56.100 0.058 0.000 0.937 2469 R CB -1.013 29.408 30.300 0.202 0.000 0.863 2469 R HN 0.194 nan 8.270 nan 0.000 0.435 2470 F N 1.493 121.400 119.950 -0.071 0.000 2.843 2470 F HA 0.090 4.616 4.527 -0.000 0.000 0.290 2470 F C 0.576 176.342 175.800 -0.057 0.000 1.221 2470 F CA 0.246 58.190 58.000 -0.093 0.000 1.413 2470 F CB -0.322 38.612 39.000 -0.110 0.000 1.019 2470 F HN 0.037 nan 8.300 nan 0.000 0.512 2471 S N -0.043 115.698 115.700 0.068 0.000 3.550 2471 S HA -0.249 4.221 4.470 -0.000 0.000 0.372 2471 S C -0.365 174.272 174.600 0.062 0.000 0.966 2471 S CA 0.144 58.380 58.200 0.059 0.000 1.229 2471 S CB -2.478 60.776 63.200 0.090 0.000 0.917 2471 S HN 0.440 nan 8.310 nan 0.000 0.496 2472 L N 0.402 121.647 121.223 0.037 0.000 2.341 2472 L HA 0.455 4.795 4.340 -0.000 0.000 0.278 2472 L C 0.626 177.462 176.870 -0.057 0.000 1.005 2472 L CA -1.035 53.799 54.840 -0.010 0.000 0.818 2472 L CB 1.101 43.133 42.059 -0.045 0.000 1.259 2472 L HN 0.060 nan 8.230 nan 0.000 0.418 2473 K N 3.895 124.262 120.400 -0.055 0.000 2.451 2473 K HA 0.171 4.491 4.320 -0.000 0.000 0.280 2473 K C -2.257 174.261 176.600 -0.136 0.000 1.020 2473 K CA -1.339 54.913 56.287 -0.058 0.000 1.008 2473 K CB 0.399 32.890 32.500 -0.015 0.000 0.917 2473 K HN 0.272 nan 8.250 nan 0.000 0.478 2474 P HA 0.050 nan 4.420 nan 0.000 0.272 2474 P C -0.590 176.654 177.300 -0.093 0.000 1.230 2474 P CA -0.079 62.926 63.100 -0.160 0.000 0.788 2474 P CB 0.337 31.986 31.700 -0.086 0.000 0.949 2475 Y N 0.291 120.552 120.300 -0.064 0.000 2.436 2475 Y HA 0.021 4.571 4.550 -0.000 0.000 0.336 2475 Y C 2.242 178.083 175.900 -0.098 0.000 1.049 2475 Y CA -0.271 57.779 58.100 -0.084 0.000 1.294 2475 Y CB 0.557 38.942 38.460 -0.125 0.000 1.179 2475 Y HN 0.419 nan 8.280 nan 0.000 0.520 2476 T N -1.201 113.430 114.554 0.129 0.000 3.085 2476 T HA 0.011 4.361 4.350 -0.000 0.000 0.263 2476 T C 0.373 175.093 174.700 0.033 0.000 1.127 2476 T CA 0.551 62.684 62.100 0.054 0.000 1.103 2476 T CB -0.052 68.849 68.868 0.054 0.000 0.921 2476 T HN 0.497 nan 8.240 nan 0.000 0.510 2477 S N -1.050 114.657 115.700 0.011 0.000 2.537 2477 S HA 0.524 4.994 4.470 -0.000 0.000 0.271 2477 S C -0.096 174.501 174.600 -0.005 0.000 1.148 2477 S CA -0.913 57.318 58.200 0.052 0.000 0.868 2477 S CB 0.377 63.622 63.200 0.075 0.000 1.115 2477 S HN -0.055 nan 8.310 nan 0.000 0.461 2478 F N 1.348 121.266 119.950 -0.054 0.000 2.202 2478 F HA 0.049 4.576 4.527 -0.000 0.000 0.301 2478 F C 2.499 178.218 175.800 -0.136 0.000 1.082 2478 F CA 1.637 59.580 58.000 -0.096 0.000 1.313 2478 F CB -0.451 38.505 39.000 -0.073 0.000 1.024 2478 F HN 0.817 nan 8.300 nan 0.000 0.495 2479 E N 0.156 120.415 120.200 0.098 0.000 2.153 2479 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 2479 E C 2.178 178.721 176.600 -0.094 0.000 0.988 2479 E CA 1.168 57.568 56.400 -0.001 0.000 0.811 2479 E CB -0.069 29.637 29.700 0.010 0.000 0.746 2479 E HN 0.546 nan 8.360 nan 0.000 0.466 2480 E N -0.004 120.108 120.200 -0.147 0.000 2.072 2480 E HA -0.188 4.162 4.350 -0.000 0.000 0.190 2480 E C 2.094 178.339 176.600 -0.591 0.000 0.982 2480 E CA 0.848 57.089 56.400 -0.266 0.000 0.803 2480 E CB -0.078 29.508 29.700 -0.190 0.000 0.755 2480 E HN 0.257 nan 8.360 nan 0.000 0.453 2481 L N 0.681 121.450 121.223 -0.757 0.000 2.191 2481 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 2481 L C 1.874 178.493 176.870 -0.417 0.000 1.103 2481 L CA 2.471 56.743 54.840 -0.947 0.000 0.769 2481 L CB -0.410 41.351 42.059 -0.498 0.000 0.908 2481 L HN 0.266 nan 8.230 nan 0.000 0.438 2482 T N -4.424 109.982 114.554 -0.247 0.000 2.999 2482 T HA 0.514 4.863 4.350 -0.000 0.000 0.247 2482 T C 1.542 176.175 174.700 -0.113 0.000 1.012 2482 T CA 0.343 62.360 62.100 -0.138 0.000 1.048 2482 T CB 0.267 69.088 68.868 -0.078 0.000 1.020 2482 T HN 0.500 nan 8.240 nan 0.000 0.478 2483 G N 2.586 111.317 108.800 -0.115 0.000 3.909 2483 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 2483 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 2483 G C 0.183 175.049 174.900 -0.056 0.000 1.404 2483 G CA 0.247 45.299 45.100 -0.080 0.000 0.905 2483 G HN 0.949 nan 8.290 nan 0.000 0.589 2484 E N 1.859 122.027 120.200 -0.053 0.000 2.422 2484 E HA 0.561 4.911 4.350 -0.000 0.000 0.260 2484 E C 0.982 177.561 176.600 -0.035 0.000 1.108 2484 E CA 0.576 56.951 56.400 -0.041 0.000 0.943 2484 E CB 0.479 30.154 29.700 -0.043 0.000 0.961 2484 E HN 0.578 nan 8.360 nan 0.000 0.443 2485 K N 0.672 121.054 120.400 -0.030 0.000 2.334 2485 K HA 0.010 4.329 4.320 -0.000 0.000 0.195 2485 K C 1.416 177.998 176.600 -0.031 0.000 1.045 2485 K CA -0.057 56.214 56.287 -0.026 0.000 1.004 2485 K CB 0.110 32.595 32.500 -0.023 0.000 0.837 2485 K HN 0.469 nan 8.250 nan 0.000 0.510 2486 E N 1.817 121.998 120.200 -0.032 0.000 1.983 2486 E HA -0.193 4.156 4.350 -0.000 0.000 0.208 2486 E C 1.959 178.537 176.600 -0.037 0.000 1.006 2486 E CA 1.593 57.972 56.400 -0.034 0.000 0.872 2486 E CB -0.179 29.501 29.700 -0.033 0.000 0.806 2486 E HN 0.159 nan 8.360 nan 0.000 0.510 2487 M N 0.378 119.957 119.600 -0.034 0.000 2.113 2487 M HA -0.317 4.163 4.480 -0.000 0.000 0.255 2487 M C 2.403 178.685 176.300 -0.030 0.000 1.073 2487 M CA 2.099 57.381 55.300 -0.030 0.000 1.091 2487 M CB -0.641 31.942 32.600 -0.028 0.000 1.309 2487 M HN 0.243 nan 8.290 nan 0.000 0.407 2488 A N 0.594 123.405 122.820 -0.015 0.000 1.873 2488 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 2488 A C 2.411 179.933 177.584 -0.103 0.000 1.269 2488 A CA 3.054 55.099 52.037 0.012 0.000 0.671 2488 A CB -1.486 17.532 19.000 0.029 0.000 0.842 2488 A HN 0.589 nan 8.150 nan 0.000 0.460 2489 A N -0.692 122.073 122.820 -0.092 0.000 1.892 2489 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 2489 A C 1.978 179.471 177.584 -0.152 0.000 1.188 2489 A CA 2.598 54.558 52.037 -0.127 0.000 0.631 2489 A CB -0.681 18.273 19.000 -0.075 0.000 0.822 2489 A HN 0.716 nan 8.150 nan 0.000 0.447 2490 E N 0.001 120.141 120.200 -0.101 0.000 2.118 2490 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 2490 E C 1.751 178.294 176.600 -0.095 0.000 0.992 2490 E CA 1.574 57.927 56.400 -0.078 0.000 0.804 2490 E CB -0.404 29.270 29.700 -0.044 0.000 0.741 2490 E HN 0.611 nan 8.360 nan 0.000 0.458 2491 L N -0.025 121.119 121.223 -0.132 0.000 2.023 2491 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 2491 L C 2.473 179.086 176.870 -0.429 0.000 1.073 2491 L CA 1.373 56.141 54.840 -0.120 0.000 0.745 2491 L CB -0.451 41.615 42.059 0.013 0.000 0.900 2491 L HN 0.094 nan 8.230 nan 0.000 0.435 2492 K N 0.786 120.599 120.400 -0.978 0.000 2.228 2492 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 2492 K C 1.815 178.164 176.600 -0.418 0.000 1.045 2492 K CA 1.586 57.187 56.287 -1.143 0.000 0.931 2492 K CB -0.295 31.737 32.500 -0.779 0.000 0.727 2492 K HN 0.302 nan 8.250 nan 0.000 0.458 2493 A N 0.517 123.182 122.820 -0.257 0.000 1.858 2493 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 2493 A C 2.228 179.768 177.584 -0.073 0.000 1.190 2493 A CA 1.664 53.626 52.037 -0.125 0.000 0.617 2493 A CB -0.681 18.266 19.000 -0.088 0.000 0.827 2493 A HN 0.317 nan 8.150 nan 0.000 0.443 2494 L N -2.580 118.623 121.223 -0.033 0.000 2.056 2494 L HA -0.149 4.190 4.340 -0.000 0.000 0.207 2494 L C 2.473 179.343 176.870 0.001 0.000 1.078 2494 L CA 1.336 56.181 54.840 0.007 0.000 0.749 2494 L CB -0.385 41.728 42.059 0.090 0.000 0.901 2494 L HN 0.492 nan 8.230 nan 0.000 0.433 2495 Y N -1.277 119.036 120.300 0.022 0.000 2.503 2495 Y HA 0.005 4.555 4.550 -0.000 0.000 0.277 2495 Y C 1.980 177.984 175.900 0.173 0.000 1.102 2495 Y CA 0.301 58.500 58.100 0.166 0.000 1.261 2495 Y CB 0.282 38.989 38.460 0.411 0.000 1.096 2495 Y HN 0.157 nan 8.280 nan 0.000 0.546 2496 S N -1.062 114.770 115.700 0.220 0.000 4.155 2496 S HA -0.309 4.161 4.470 -0.000 0.000 0.346 2496 S C 0.140 174.948 174.600 0.346 0.000 1.863 2496 S CA 1.291 59.590 58.200 0.165 0.000 4.245 2496 S CB -1.482 61.785 63.200 0.112 0.000 0.217 2496 S HN 0.470 nan 8.310 nan 0.000 0.454 2497 D N 2.188 122.782 120.400 0.323 0.000 2.325 2497 D HA 0.433 5.073 4.640 -0.000 0.000 0.251 2497 D C 0.932 177.389 176.300 0.262 0.000 1.196 2497 D CA -0.156 54.007 54.000 0.271 0.000 0.866 2497 D CB 0.959 41.851 40.800 0.155 0.000 1.101 2497 D HN 0.263 nan 8.370 nan 0.000 0.476 2498 I N 4.284 124.910 120.570 0.093 0.000 2.145 2498 I HA -0.328 3.842 4.170 -0.000 0.000 0.244 2498 I C 1.310 177.268 176.117 -0.266 0.000 1.075 2498 I CA 1.664 62.656 61.300 -0.513 0.000 1.332 2498 I CB -0.202 37.569 38.000 -0.381 0.000 1.033 2498 I HN 0.430 nan 8.210 nan 0.000 0.410 2499 D N 0.419 120.775 120.400 -0.072 0.000 2.137 2499 D HA -0.183 4.457 4.640 -0.000 0.000 0.189 2499 D C 2.088 178.404 176.300 0.026 0.000 0.998 2499 D CA 2.172 56.158 54.000 -0.023 0.000 0.839 2499 D CB -0.852 39.955 40.800 0.011 0.000 0.962 2499 D HN 0.325 nan 8.370 nan 0.000 0.446 2500 V N 0.888 120.866 119.914 0.106 0.000 3.362 2500 V HA -0.169 3.950 4.120 -0.000 0.000 0.275 2500 V C 1.065 177.362 176.094 0.338 0.000 1.208 2500 V CA 0.208 62.632 62.300 0.206 0.000 1.195 2500 V CB -1.126 30.841 31.823 0.239 0.000 0.843 2500 V HN 0.148 nan 8.190 nan 0.000 0.556 2501 M N 1.758 121.409 119.600 0.085 0.000 2.217 2501 M HA 0.226 4.706 4.480 -0.000 0.000 0.352 2501 M C 0.346 176.638 176.300 -0.012 0.000 1.376 2501 M CA -0.429 54.755 55.300 -0.194 0.000 1.107 2501 M CB -0.230 32.104 32.600 -0.443 0.000 1.723 2501 M HN 0.342 nan 8.290 nan 0.000 0.461 2502 E N 3.536 123.777 120.200 0.069 0.000 2.373 2502 E HA 0.018 4.367 4.350 -0.000 0.000 0.267 2502 E C 0.648 177.266 176.600 0.031 0.000 1.032 2502 E CA -0.374 56.112 56.400 0.144 0.000 0.889 2502 E CB 1.002 30.852 29.700 0.250 0.000 0.984 2502 E HN 0.753 nan 8.360 nan 0.000 0.425 2503 L N 4.408 125.664 121.223 0.054 0.000 1.937 2503 L HA -0.255 4.084 4.340 -0.000 0.000 0.213 2503 L C 2.159 179.011 176.870 -0.030 0.000 1.077 2503 L CA 1.850 56.688 54.840 -0.004 0.000 0.758 2503 L CB -0.916 41.103 42.059 -0.066 0.000 0.888 2503 L HN 0.721 nan 8.230 nan 0.000 0.433 2504 Y N 1.234 121.438 120.300 -0.160 0.000 2.038 2504 Y HA -0.285 4.265 4.550 -0.000 0.000 0.266 2504 Y C -0.642 175.226 175.900 -0.055 0.000 1.220 2504 Y CA 2.757 60.776 58.100 -0.136 0.000 1.107 2504 Y CB -2.178 36.190 38.460 -0.154 0.000 0.932 2504 Y HN 0.306 nan 8.280 nan 0.000 0.500 2505 P HA -0.216 nan 4.420 nan 0.000 0.210 2505 P C 1.683 178.841 177.300 -0.237 0.000 1.189 2505 P CA 2.852 65.787 63.100 -0.276 0.000 0.920 2505 P CB -0.613 31.053 31.700 -0.056 0.000 0.782 2506 A N -0.986 121.740 122.820 -0.156 0.000 2.067 2506 A HA -0.241 4.079 4.320 -0.000 0.000 0.224 2506 A C 2.278 179.810 177.584 -0.087 0.000 1.172 2506 A CA 1.870 53.839 52.037 -0.113 0.000 0.662 2506 A CB -1.876 17.076 19.000 -0.079 0.000 0.814 2506 A HN 0.143 nan 8.150 nan 0.000 0.468 2507 L N -1.268 119.879 121.223 -0.126 0.000 2.044 2507 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 2507 L C 2.516 179.327 176.870 -0.099 0.000 1.075 2507 L CA 1.118 55.905 54.840 -0.089 0.000 0.747 2507 L CB -0.325 41.685 42.059 -0.082 0.000 0.903 2507 L HN 0.371 nan 8.230 nan 0.000 0.435 2508 L N -1.239 119.860 121.223 -0.206 0.000 2.217 2508 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 2508 L C 2.146 178.941 176.870 -0.126 0.000 1.107 2508 L CA 0.520 55.258 54.840 -0.170 0.000 0.783 2508 L CB -0.133 41.773 42.059 -0.255 0.000 0.919 2508 L HN 0.106 nan 8.230 nan 0.000 0.442 2509 V N -1.422 118.418 119.914 -0.124 0.000 3.174 2509 V HA -0.030 4.090 4.120 -0.000 0.000 0.254 2509 V C 1.330 177.378 176.094 -0.076 0.000 1.120 2509 V CA 0.095 62.339 62.300 -0.093 0.000 1.114 2509 V CB -0.191 31.581 31.823 -0.084 0.000 0.756 2509 V HN 0.338 nan 8.190 nan 0.000 0.467 2510 E N 1.618 121.782 120.200 -0.060 0.000 2.556 2510 E HA -0.187 4.163 4.350 -0.000 0.000 0.273 2510 E C 0.481 177.053 176.600 -0.046 0.000 1.123 2510 E CA 0.382 56.765 56.400 -0.028 0.000 1.033 2510 E CB 0.248 29.971 29.700 0.037 0.000 1.025 2510 E HN 0.227 nan 8.360 nan 0.000 0.465 2511 K N 4.244 124.611 120.400 -0.055 0.000 2.206 2511 K HA 0.207 4.526 4.320 -0.000 0.000 0.268 2511 K C -2.413 174.177 176.600 -0.017 0.000 1.111 2511 K CA -1.787 54.465 56.287 -0.059 0.000 0.955 2511 K CB 0.438 32.879 32.500 -0.098 0.000 1.406 2511 K HN 0.169 nan 8.250 nan 0.000 0.427 2512 P HA -0.128 nan 4.420 nan 0.000 0.272 2512 P C -0.474 176.829 177.300 0.006 0.000 1.194 2512 P CA 0.365 63.453 63.100 -0.020 0.000 0.777 2512 P CB 0.434 32.090 31.700 -0.073 0.000 0.814 2513 R N 2.575 123.092 120.500 0.029 0.000 2.528 2513 R HA 0.290 4.630 4.340 -0.000 0.000 0.271 2513 R C -1.920 174.370 176.300 -0.017 0.000 1.056 2513 R CA -1.817 54.303 56.100 0.033 0.000 1.117 2513 R CB -0.554 29.813 30.300 0.111 0.000 1.085 2513 R HN 0.330 nan 8.270 nan 0.000 0.530 2514 P HA -0.193 nan 4.420 nan 0.000 0.191 2514 P C -0.982 176.287 177.300 -0.051 0.000 0.942 2514 P CA 1.186 64.269 63.100 -0.028 0.000 1.312 2514 P CB -0.154 31.545 31.700 -0.003 0.000 1.452 2515 D N -1.669 118.693 120.400 -0.062 0.000 2.876 2515 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 2515 D C 0.538 176.766 176.300 -0.120 0.000 1.014 2515 D CA 1.293 55.241 54.000 -0.087 0.000 1.012 2515 D CB -1.324 39.429 40.800 -0.079 0.000 1.080 2515 D HN 0.465 nan 8.370 nan 0.000 0.438 2516 A N 0.528 123.287 122.820 -0.102 0.000 2.280 2516 A HA 0.597 4.917 4.320 -0.000 0.000 0.268 2516 A C 1.463 178.899 177.584 -0.247 0.000 1.111 2516 A CA 0.269 52.227 52.037 -0.132 0.000 0.814 2516 A CB 0.522 19.525 19.000 0.004 0.000 1.093 2516 A HN 0.238 nan 8.150 nan 0.000 0.498 2517 I N -2.216 118.100 120.570 -0.422 0.000 3.708 2517 I HA 0.333 4.503 4.170 -0.000 0.000 0.302 2517 I C -0.776 174.884 176.117 -0.762 0.000 1.255 2517 I CA 0.061 60.954 61.300 -0.678 0.000 1.362 2517 I CB 0.038 37.427 38.000 -1.018 0.000 1.100 2517 I HN 0.405 nan 8.210 nan 0.000 0.434 2518 F N 0.184 120.015 119.950 -0.199 0.000 2.598 2518 F HA 0.693 5.220 4.527 -0.000 0.000 0.327 2518 F C 0.986 176.754 175.800 -0.054 0.000 1.057 2518 F CA -0.784 57.124 58.000 -0.153 0.000 0.957 2518 F CB 0.713 39.629 39.000 -0.139 0.000 1.278 2518 F HN -0.187 nan 8.300 nan 0.000 0.484 2519 G N -0.310 108.613 108.800 0.206 0.000 2.509 2519 G HA2 0.213 4.172 3.960 -0.000 0.000 0.269 2519 G HA3 0.213 4.172 3.960 -0.000 0.000 0.269 2519 G C 0.614 175.622 174.900 0.180 0.000 1.416 2519 G CA -0.139 45.052 45.100 0.151 0.000 1.052 2519 G HN 0.677 nan 8.290 nan 0.000 0.542 2520 E N -1.146 119.158 120.200 0.174 0.000 2.033 2520 E HA -0.099 4.250 4.350 -0.000 0.000 0.189 2520 E C 2.310 178.958 176.600 0.080 0.000 0.979 2520 E CA 1.502 57.998 56.400 0.160 0.000 0.802 2520 E CB -0.584 29.220 29.700 0.172 0.000 0.763 2520 E HN 0.373 nan 8.360 nan 0.000 0.449 2521 T N 1.899 116.485 114.554 0.054 0.000 2.565 2521 T HA -0.292 4.058 4.350 -0.000 0.000 0.265 2521 T C 1.908 176.567 174.700 -0.067 0.000 1.082 2521 T CA 2.638 64.719 62.100 -0.031 0.000 1.173 2521 T CB -0.459 68.397 68.868 -0.020 0.000 0.864 2521 T HN 0.318 nan 8.240 nan 0.000 0.425 2522 M N 0.482 120.059 119.600 -0.039 0.000 2.144 2522 M HA -0.121 4.359 4.480 -0.000 0.000 0.260 2522 M C 2.111 178.334 176.300 -0.128 0.000 1.067 2522 M CA 1.526 56.767 55.300 -0.099 0.000 1.095 2522 M CB -0.419 32.101 32.600 -0.133 0.000 1.365 2522 M HN 0.101 nan 8.290 nan 0.000 0.406 2523 V N 0.374 120.250 119.914 -0.063 0.000 2.244 2523 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 2523 V C 2.214 178.304 176.094 -0.006 0.000 1.042 2523 V CA 1.889 64.173 62.300 -0.027 0.000 1.006 2523 V CB -0.687 31.163 31.823 0.045 0.000 0.641 2523 V HN 0.443 nan 8.190 nan 0.000 0.446 2524 E N -0.281 119.915 120.200 -0.007 0.000 2.510 2524 E HA -0.079 4.271 4.350 -0.000 0.000 0.202 2524 E C 1.775 178.302 176.600 -0.122 0.000 1.072 2524 E CA 0.687 57.087 56.400 -0.000 0.000 0.883 2524 E CB -0.085 29.635 29.700 0.034 0.000 0.818 2524 E HN 0.489 nan 8.360 nan 0.000 0.548 2525 L N -1.765 119.293 121.223 -0.276 0.000 2.349 2525 L HA 0.157 4.497 4.340 -0.000 0.000 0.200 2525 L C 2.108 178.848 176.870 -0.217 0.000 1.064 2525 L CA 0.930 55.381 54.840 -0.648 0.000 0.821 2525 L CB -0.617 41.062 42.059 -0.635 0.000 1.027 2525 L HN 0.117 nan 8.230 nan 0.000 0.476 2526 G N -0.282 108.573 108.800 0.091 0.000 2.484 2526 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 2526 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 2526 G C 1.692 176.795 174.900 0.339 0.000 1.130 2526 G CA 0.790 46.156 45.100 0.444 0.000 0.784 2526 G HN 0.397 nan 8.290 nan 0.000 0.543 2527 A N 1.791 124.710 122.820 0.164 0.000 1.858 2527 A HA 0.051 4.370 4.320 -0.000 0.000 0.216 2527 A C 0.744 178.397 177.584 0.115 0.000 1.190 2527 A CA 1.952 54.071 52.037 0.137 0.000 0.617 2527 A CB -1.115 17.945 19.000 0.099 0.000 0.827 2527 A HN 0.379 nan 8.150 nan 0.000 0.443 2528 P HA -0.090 nan 4.420 nan 0.000 0.210 2528 P C 1.434 178.789 177.300 0.091 0.000 1.192 2528 P CA 0.894 64.028 63.100 0.057 0.000 0.913 2528 P CB -0.349 31.364 31.700 0.023 0.000 0.774 2529 F N 0.075 120.025 119.950 0.000 0.000 2.079 2529 F HA -0.344 4.183 4.527 -0.000 0.000 0.296 2529 F C 2.694 178.133 175.800 -0.602 0.000 1.084 2529 F CA 1.497 59.300 58.000 -0.328 0.000 1.236 2529 F CB -0.859 37.911 39.000 -0.383 0.000 0.984 2529 F HN 0.051 nan 8.300 nan 0.000 0.488 2530 S N 0.429 116.065 115.700 -0.107 0.000 2.336 2530 S HA -0.166 4.304 4.470 -0.000 0.000 0.214 2530 S C 1.703 176.266 174.600 -0.063 0.000 1.032 2530 S CA 0.842 59.005 58.200 -0.062 0.000 1.001 2530 S CB -0.546 62.811 63.200 0.261 0.000 0.953 2530 S HN 0.154 nan 8.310 nan 0.000 0.430 2531 L N 1.617 122.843 121.223 0.005 0.000 2.661 2531 L HA 0.051 4.391 4.340 -0.000 0.000 0.236 2531 L C 2.129 178.984 176.870 -0.025 0.000 1.176 2531 L CA 1.303 56.129 54.840 -0.023 0.000 0.836 2531 L CB -0.917 41.132 42.059 -0.016 0.000 0.960 2531 L HN 0.248 nan 8.230 nan 0.000 0.455 2532 K N -0.177 120.213 120.400 -0.016 0.000 2.074 2532 K HA 0.125 4.445 4.320 -0.000 0.000 0.214 2532 K C 1.919 178.512 176.600 -0.011 0.000 1.029 2532 K CA 1.128 57.446 56.287 0.051 0.000 0.966 2532 K CB -1.155 31.341 32.500 -0.006 0.000 0.945 2532 K HN 0.164 nan 8.250 nan 0.000 0.453 2533 G N 2.290 110.999 108.800 -0.152 0.000 2.631 2533 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.221 2533 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.221 2533 G C 1.342 176.144 174.900 -0.163 0.000 1.095 2533 G CA 0.748 45.722 45.100 -0.209 0.000 0.727 2533 G HN 0.177 nan 8.290 nan 0.000 0.587 2534 L N -0.670 120.479 121.223 -0.123 0.000 2.071 2534 L HA 0.266 4.606 4.340 -0.000 0.000 0.201 2534 L C 2.747 179.571 176.870 -0.077 0.000 1.076 2534 L CA 1.241 56.011 54.840 -0.116 0.000 0.755 2534 L CB -0.691 41.298 42.059 -0.117 0.000 0.915 2534 L HN 0.117 nan 8.230 nan 0.000 0.445 2535 M N -0.480 119.103 119.600 -0.029 0.000 2.134 2535 M HA 0.098 4.578 4.480 -0.000 0.000 0.262 2535 M C 2.132 178.604 176.300 0.287 0.000 1.076 2535 M CA 1.322 56.627 55.300 0.007 0.000 1.143 2535 M CB -2.028 30.359 32.600 -0.355 0.000 1.346 2535 M HN 0.258 nan 8.290 nan 0.000 0.421 2536 G N 1.278 110.353 108.800 0.459 0.000 2.601 2536 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 2536 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 2536 G C 0.769 175.795 174.900 0.209 0.000 1.132 2536 G CA 0.210 45.495 45.100 0.307 0.000 0.761 2536 G HN 0.531 nan 8.290 nan 0.000 0.550 2537 N N 0.818 119.628 118.700 0.184 0.000 2.518 2537 N HA 0.071 4.811 4.740 -0.000 0.000 0.266 2537 N C -0.967 174.625 175.510 0.137 0.000 1.196 2537 N CA -1.367 51.744 53.050 0.102 0.000 0.947 2537 N CB 1.943 40.466 38.487 0.059 0.000 1.098 2537 N HN -0.128 nan 8.380 nan 0.000 0.450 2538 P HA -0.252 nan 4.420 nan 0.000 0.212 2538 P C 1.625 178.729 177.300 -0.326 0.000 1.174 2538 P CA 1.695 64.644 63.100 -0.252 0.000 0.934 2538 P CB -0.307 31.124 31.700 -0.447 0.000 0.791 2539 I N -1.959 118.457 120.570 -0.256 0.000 2.707 2539 I HA -0.230 3.940 4.170 -0.000 0.000 0.266 2539 I C 1.458 177.765 176.117 0.317 0.000 1.215 2539 I CA 1.697 63.073 61.300 0.127 0.000 1.442 2539 I CB -1.003 37.245 38.000 0.414 0.000 1.108 2539 I HN -0.109 nan 8.210 nan 0.000 0.464 2540 C N 1.176 120.591 119.300 0.191 0.000 2.791 2540 C HA 0.291 4.750 4.460 -0.000 0.000 0.270 2540 C C 1.560 176.645 174.990 0.159 0.000 1.257 2540 C CA 0.211 59.327 59.018 0.163 0.000 1.699 2540 C CB -1.968 25.957 27.740 0.309 0.000 1.904 2540 C HN 0.719 nan 8.230 nan 0.000 0.603 2541 S N 1.573 117.200 115.700 -0.122 0.000 2.601 2541 S HA 0.304 4.774 4.470 -0.000 0.000 0.271 2541 S C -1.713 172.885 174.600 -0.003 0.000 1.305 2541 S CA -0.740 57.060 58.200 -0.668 0.000 1.022 2541 S CB 0.922 63.812 63.200 -0.516 0.000 0.940 2541 S HN 0.020 nan 8.310 nan 0.000 0.525 2542 P HA -0.174 nan 4.420 nan 0.000 0.214 2542 P C 0.461 177.704 177.300 -0.094 0.000 1.169 2542 P CA 1.432 64.274 63.100 -0.430 0.000 0.908 2542 P CB -0.232 31.110 31.700 -0.597 0.000 0.791 2543 Q N -2.045 117.731 119.800 -0.039 0.000 2.336 2543 Q HA 0.048 4.388 4.340 -0.000 0.000 0.231 2543 Q C 0.155 176.131 176.000 -0.039 0.000 0.900 2543 Q CA 0.798 56.573 55.803 -0.047 0.000 0.966 2543 Q CB -1.177 27.517 28.738 -0.075 0.000 1.219 2543 Q HN 0.433 nan 8.270 nan 0.000 0.412 2544 Y N -2.633 117.698 120.300 0.051 0.000 2.528 2544 Y HA 0.105 4.655 4.550 -0.000 0.000 0.279 2544 Y C -0.204 175.860 175.900 0.273 0.000 1.133 2544 Y CA -0.920 57.238 58.100 0.097 0.000 1.047 2544 Y CB 0.194 38.746 38.460 0.153 0.000 1.353 2544 Y HN 0.415 nan 8.280 nan 0.000 0.551 2545 W N 6.366 127.869 121.300 0.338 0.000 1.839 2545 W HA 0.257 4.916 4.660 -0.000 0.000 0.489 2545 W C -0.684 175.950 176.519 0.191 0.000 0.789 2545 W CA 0.546 58.150 57.345 0.431 0.000 1.900 2545 W CB -0.511 29.303 29.460 0.589 0.000 1.773 2545 W HN 0.022 nan 8.180 nan 0.000 0.251 2546 K N 3.430 123.685 120.400 -0.242 0.000 2.589 2546 K HA 0.208 4.528 4.320 -0.000 0.000 0.265 2546 K C -2.458 173.709 176.600 -0.723 0.000 0.935 2546 K CA -1.457 54.472 56.287 -0.596 0.000 0.850 2546 K CB 1.203 33.538 32.500 -0.275 0.000 1.372 2546 K HN -0.229 nan 8.250 nan 0.000 0.420 2547 P HA -0.412 nan 4.420 nan 0.000 0.222 2547 P C 1.398 178.629 177.300 -0.116 0.000 1.159 2547 P CA 2.698 65.544 63.100 -0.423 0.000 0.920 2547 P CB -0.137 31.444 31.700 -0.198 0.000 0.793 2548 S N -0.491 115.116 115.700 -0.156 0.000 2.389 2548 S HA -0.280 4.189 4.470 -0.000 0.000 0.229 2548 S C 1.930 176.446 174.600 -0.141 0.000 1.048 2548 S CA 2.779 60.924 58.200 -0.092 0.000 1.117 2548 S CB -2.457 60.664 63.200 -0.132 0.000 1.020 2548 S HN 0.267 nan 8.310 nan 0.000 0.430 2549 T N 1.457 115.785 114.554 -0.377 0.000 2.795 2549 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 2549 T C 0.832 175.101 174.700 -0.720 0.000 1.056 2549 T CA 1.770 63.471 62.100 -0.665 0.000 1.141 2549 T CB -0.761 67.458 68.868 -1.082 0.000 0.840 2549 T HN 0.617 nan 8.240 nan 0.000 0.493 2550 F N 0.234 120.251 119.950 0.111 0.000 2.805 2550 F HA 0.563 5.089 4.527 -0.000 0.000 0.317 2550 F C 1.516 177.464 175.800 0.247 0.000 1.146 2550 F CA -0.627 57.495 58.000 0.204 0.000 1.265 2550 F CB 0.186 39.329 39.000 0.239 0.000 0.992 2550 F HN 0.186 nan 8.300 nan 0.000 0.511 2551 G N 0.282 109.335 108.800 0.422 0.000 2.147 2551 G HA2 0.101 4.061 3.960 -0.000 0.000 0.244 2551 G HA3 0.101 4.061 3.960 -0.000 0.000 0.244 2551 G C 0.709 175.774 174.900 0.275 0.000 1.005 2551 G CA 0.153 45.524 45.100 0.451 0.000 0.713 2551 G HN 1.258 nan 8.290 nan 0.000 0.515 2552 G N -1.076 107.852 108.800 0.214 0.000 2.828 2552 G HA2 0.063 4.023 3.960 -0.000 0.000 0.463 2552 G HA3 0.063 4.023 3.960 -0.000 0.000 0.463 2552 G C 0.729 175.720 174.900 0.152 0.000 1.394 2552 G CA 0.592 45.766 45.100 0.123 0.000 0.862 2552 G HN 0.844 nan 8.290 nan 0.000 0.540 2553 E N -0.716 119.554 120.200 0.117 0.000 2.181 2553 E HA -0.256 4.094 4.350 -0.000 0.000 0.225 2553 E C 2.823 179.512 176.600 0.148 0.000 1.073 2553 E CA 1.943 58.441 56.400 0.165 0.000 0.916 2553 E CB -0.924 28.832 29.700 0.093 0.000 0.793 2553 E HN 0.671 nan 8.360 nan 0.000 0.472 2554 V N 0.757 120.710 119.914 0.066 0.000 2.217 2554 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 2554 V C 2.390 178.521 176.094 0.061 0.000 1.050 2554 V CA 2.594 64.911 62.300 0.027 0.000 1.007 2554 V CB -1.233 30.565 31.823 -0.041 0.000 0.639 2554 V HN 0.508 nan 8.190 nan 0.000 0.452 2555 G N -1.920 106.930 108.800 0.083 0.000 2.501 2555 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 2555 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 2555 G C 1.410 176.427 174.900 0.196 0.000 1.114 2555 G CA 0.856 46.038 45.100 0.138 0.000 0.757 2555 G HN 0.445 nan 8.290 nan 0.000 0.559 2556 F N 1.179 121.132 119.950 0.005 0.000 2.094 2556 F HA 0.162 4.689 4.527 -0.000 0.000 0.291 2556 F C 2.478 178.188 175.800 -0.150 0.000 1.109 2556 F CA 1.252 59.169 58.000 -0.139 0.000 1.221 2556 F CB -0.566 38.382 39.000 -0.087 0.000 1.014 2556 F HN 0.098 nan 8.300 nan 0.000 0.473 2557 K N 0.813 121.163 120.400 -0.083 0.000 2.052 2557 K HA -0.268 4.052 4.320 -0.000 0.000 0.215 2557 K C 2.240 178.754 176.600 -0.142 0.000 1.053 2557 K CA 2.565 58.754 56.287 -0.164 0.000 0.934 2557 K CB -0.682 31.786 32.500 -0.052 0.000 0.717 2557 K HN 0.369 nan 8.250 nan 0.000 0.450 2558 I N 0.928 121.464 120.570 -0.057 0.000 2.132 2558 I HA -0.427 3.743 4.170 -0.000 0.000 0.238 2558 I C 2.409 178.510 176.117 -0.026 0.000 1.012 2558 I CA 2.033 63.322 61.300 -0.018 0.000 1.288 2558 I CB -0.473 37.543 38.000 0.027 0.000 0.997 2558 I HN 0.315 nan 8.210 nan 0.000 0.402 2559 I N 0.803 121.333 120.570 -0.067 0.000 2.127 2559 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 2559 I C 2.012 178.118 176.117 -0.017 0.000 1.075 2559 I CA 1.623 62.916 61.300 -0.011 0.000 1.334 2559 I CB -0.701 37.274 38.000 -0.042 0.000 1.040 2559 I HN 0.380 nan 8.210 nan 0.000 0.405 2560 N N 0.529 119.113 118.700 -0.192 0.000 2.519 2560 N HA -0.108 4.631 4.740 -0.000 0.000 0.186 2560 N C 0.890 176.359 175.510 -0.067 0.000 1.062 2560 N CA 1.510 54.464 53.050 -0.161 0.000 0.910 2560 N CB -0.515 37.764 38.487 -0.347 0.000 0.958 2560 N HN 0.488 nan 8.380 nan 0.000 0.445 2561 T N -2.507 112.020 114.554 -0.045 0.000 3.585 2561 T HA 0.690 5.040 4.350 -0.000 0.000 0.252 2561 T C -0.472 174.235 174.700 0.011 0.000 1.382 2561 T CA -0.855 61.236 62.100 -0.015 0.000 1.584 2561 T CB 0.360 69.212 68.868 -0.028 0.000 0.892 2561 T HN 0.140 nan 8.240 nan 0.000 0.671 2562 A N 1.605 124.451 122.820 0.043 0.000 2.356 2562 A HA 0.907 5.226 4.320 -0.000 0.000 0.310 2562 A C -0.008 177.610 177.584 0.058 0.000 1.075 2562 A CA -0.779 51.296 52.037 0.062 0.000 0.746 2562 A CB 1.522 20.593 19.000 0.119 0.000 1.221 2562 A HN 1.209 nan 8.150 nan 0.000 0.443 2563 S N 1.845 117.557 115.700 0.020 0.000 2.540 2563 S HA 0.443 4.913 4.470 -0.000 0.000 0.275 2563 S C 0.540 175.104 174.600 -0.060 0.000 1.123 2563 S CA -0.355 57.839 58.200 -0.010 0.000 0.907 2563 S CB 1.014 64.191 63.200 -0.038 0.000 1.081 2563 S HN 1.417 nan 8.310 nan 0.000 0.476 2564 I N 1.921 122.436 120.570 -0.092 0.000 2.229 2564 I HA -0.205 3.965 4.170 -0.000 0.000 0.250 2564 I C 2.368 178.352 176.117 -0.223 0.000 1.096 2564 I CA 2.349 63.551 61.300 -0.165 0.000 1.358 2564 I CB -0.487 37.226 38.000 -0.479 0.000 1.047 2564 I HN 0.972 nan 8.210 nan 0.000 0.422 2565 Q N 1.047 120.700 119.800 -0.245 0.000 1.927 2565 Q HA -0.242 4.098 4.340 -0.000 0.000 0.210 2565 Q C 2.441 178.342 176.000 -0.165 0.000 1.001 2565 Q CA 3.382 59.038 55.803 -0.246 0.000 0.862 2565 Q CB -1.115 27.498 28.738 -0.208 0.000 0.934 2565 Q HN 0.696 nan 8.270 nan 0.000 0.420 2566 S N 0.847 116.481 115.700 -0.111 0.000 2.365 2566 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 2566 S C 1.930 176.471 174.600 -0.099 0.000 1.039 2566 S CA 1.506 59.658 58.200 -0.081 0.000 1.033 2566 S CB -1.172 62.000 63.200 -0.048 0.000 0.887 2566 S HN 0.473 nan 8.310 nan 0.000 0.447 2567 L N 1.420 122.569 121.223 -0.123 0.000 2.034 2567 L HA -0.124 4.216 4.340 -0.000 0.000 0.217 2567 L C 2.066 178.821 176.870 -0.191 0.000 1.077 2567 L CA 1.719 56.443 54.840 -0.195 0.000 0.769 2567 L CB -0.963 40.920 42.059 -0.293 0.000 0.890 2567 L HN 0.348 nan 8.230 nan 0.000 0.435 2568 I N -1.614 118.858 120.570 -0.164 0.000 2.480 2568 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 2568 I C 2.669 178.721 176.117 -0.108 0.000 1.124 2568 I CA 1.113 62.330 61.300 -0.139 0.000 1.444 2568 I CB -0.689 37.230 38.000 -0.136 0.000 1.098 2568 I HN 0.443 nan 8.210 nan 0.000 0.428 2569 c N 0.998 119.537 118.600 -0.101 0.000 2.393 2569 c HA -0.207 4.363 4.570 -0.000 0.000 0.276 2569 c C 2.854 176.910 174.090 -0.056 0.000 1.215 2569 c CA 1.458 57.745 56.329 -0.069 0.000 1.743 2569 c CB -1.190 41.284 42.510 -0.060 0.000 2.044 2569 c HN 0.539 nan 8.230 nan 0.000 0.464 2570 N N 1.011 119.676 118.700 -0.059 0.000 2.092 2570 N HA -0.076 4.664 4.740 -0.000 0.000 0.189 2570 N C 1.355 176.833 175.510 -0.054 0.000 1.040 2570 N CA 1.323 54.346 53.050 -0.046 0.000 0.845 2570 N CB -0.921 37.544 38.487 -0.036 0.000 1.017 2570 N HN 0.541 nan 8.380 nan 0.000 0.426 2571 N N 0.669 119.325 118.700 -0.073 0.000 2.309 2571 N HA -0.036 4.704 4.740 -0.000 0.000 0.182 2571 N C 0.125 175.579 175.510 -0.093 0.000 1.018 2571 N CA 0.317 53.319 53.050 -0.081 0.000 0.876 2571 N CB 0.084 38.509 38.487 -0.104 0.000 0.972 2571 N HN 0.044 nan 8.380 nan 0.000 0.434 2572 V N 0.718 120.580 119.914 -0.087 0.000 2.630 2572 V HA 0.227 4.347 4.120 -0.000 0.000 0.305 2572 V C 0.565 176.625 176.094 -0.056 0.000 1.046 2572 V CA -1.221 61.032 62.300 -0.079 0.000 0.934 2572 V CB 2.030 33.811 31.823 -0.071 0.000 1.003 2572 V HN -0.047 nan 8.190 nan 0.000 0.451 2573 K N 1.839 122.209 120.400 -0.050 0.000 2.440 2573 K HA 0.325 4.645 4.320 -0.000 0.000 0.270 2573 K C 1.319 177.909 176.600 -0.016 0.000 0.980 2573 K CA 1.202 57.470 56.287 -0.032 0.000 0.953 2573 K CB 0.172 32.656 32.500 -0.026 0.000 0.925 2573 K HN 1.152 nan 8.250 nan 0.000 0.497 2574 G N 2.207 111.001 108.800 -0.010 0.000 2.216 2574 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.269 2574 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.269 2574 G C 0.446 175.349 174.900 0.005 0.000 0.981 2574 G CA 0.207 45.307 45.100 0.001 0.000 0.658 2574 G HN 0.852 nan 8.290 nan 0.000 0.539 2575 c N 0.240 118.836 118.600 -0.007 0.000 3.899 2575 c HA -0.104 4.466 4.570 -0.000 0.000 0.297 2575 c C -0.574 173.523 174.090 0.011 0.000 1.371 2575 c CA -0.158 56.165 56.329 -0.009 0.000 2.088 2575 c CB -1.589 40.920 42.510 -0.002 0.000 1.346 2575 c HN 0.749 nan 8.230 nan 0.000 0.658 2576 P HA 0.143 nan 4.420 nan 0.000 0.262 2576 P C 0.170 177.496 177.300 0.043 0.000 1.199 2576 P CA 0.260 63.388 63.100 0.046 0.000 0.763 2576 P CB 0.302 32.022 31.700 0.034 0.000 0.790 2577 F N 4.284 124.227 119.950 -0.012 0.000 2.626 2577 F HA 0.148 4.675 4.527 -0.000 0.000 0.354 2577 F C -0.097 175.691 175.800 -0.020 0.000 1.168 2577 F CA 1.313 59.302 58.000 -0.019 0.000 1.368 2577 F CB 0.446 39.438 39.000 -0.013 0.000 1.092 2577 F HN 0.330 nan 8.300 nan 0.000 0.612 2578 T N 3.375 116.974 114.554 -1.592 0.000 2.769 2578 T HA 0.537 4.887 4.350 -0.000 0.000 0.306 2578 T C -1.393 172.584 174.700 -1.205 0.000 1.400 2578 T CA -0.735 60.715 62.100 -1.083 0.000 1.007 2578 T CB 1.557 70.148 68.868 -0.461 0.000 1.392 2578 T HN 0.783 nan 8.240 nan 0.000 0.500 2579 S N -1.174 114.180 115.700 -0.576 0.000 2.636 2579 S HA 0.548 5.018 4.470 -0.000 0.000 0.266 2579 S C -1.300 173.132 174.600 -0.279 0.000 1.147 2579 S CA -0.654 57.306 58.200 -0.400 0.000 0.815 2579 S CB 0.545 63.709 63.200 -0.059 0.000 1.119 2579 S HN 0.627 nan 8.310 nan 0.000 0.470 2580 F N 1.453 121.343 119.950 -0.101 0.000 2.693 2580 F HA 0.373 4.900 4.527 -0.000 0.000 0.303 2580 F C 0.983 176.597 175.800 -0.310 0.000 1.097 2580 F CA -0.208 57.696 58.000 -0.161 0.000 1.330 2580 F CB 0.302 39.162 39.000 -0.232 0.000 1.067 2580 F HN 0.391 nan 8.300 nan 0.000 0.565 2581 N N 0.077 118.785 118.700 0.013 0.000 2.342 2581 N HA 0.242 4.981 4.740 -0.000 0.000 0.293 2581 N C -0.898 174.690 175.510 0.130 0.000 1.026 2581 N CA -0.392 52.705 53.050 0.077 0.000 0.857 2581 N CB 2.070 40.650 38.487 0.155 0.000 1.256 2581 N HN -0.131 nan 8.380 nan 0.000 0.484 2582 V N 4.753 124.735 119.914 0.114 0.000 2.229 2582 V HA 0.127 4.247 4.120 -0.000 0.000 0.245 2582 V C -0.552 175.598 176.094 0.094 0.000 1.243 2582 V CA 0.105 62.476 62.300 0.118 0.000 1.176 2582 V CB -1.251 30.628 31.823 0.095 0.000 1.323 2582 V HN 0.841 nan 8.190 nan 0.000 0.499 2583 Q N 0.000 119.866 119.800 0.110 0.000 2.315 2583 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 2583 Q CA 0.000 55.831 55.803 0.047 0.000 1.022 2583 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 2583 Q HN 0.000 nan 8.270 nan 0.000 0.481