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 1mx9_1_B DATA FIRST_RESID 2021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 2021 S HA 0.000 nan 4.470 nan 0.000 0.327 2021 S C 0.000 174.633 174.600 0.055 0.000 1.055 2021 S CA 0.000 58.201 58.200 0.001 0.000 1.107 2021 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 2022 S N 1.491 117.265 115.700 0.123 0.000 2.579 2022 S HA 0.610 5.085 4.470 0.008 0.000 0.290 2022 S C -3.186 171.555 174.600 0.234 0.000 1.123 2022 S CA -0.700 57.583 58.200 0.138 0.000 0.894 2022 S CB 1.222 64.480 63.200 0.097 0.000 1.095 2022 S HN 0.233 nan 8.310 nan 0.000 0.450 2023 P HA 0.189 nan 4.420 nan 0.000 0.264 2023 P C -2.626 174.635 177.300 -0.066 0.000 1.179 2023 P CA -0.436 62.664 63.100 -0.001 0.000 0.763 2023 P CB -0.294 31.376 31.700 -0.049 0.000 0.806 2024 P HA 0.168 nan 4.420 nan 0.000 0.275 2024 P C -0.991 176.275 177.300 -0.056 0.000 1.228 2024 P CA 0.082 63.033 63.100 -0.248 0.000 0.786 2024 P CB 0.634 31.985 31.700 -0.581 0.000 0.927 2025 V N 3.723 123.676 119.914 0.065 0.000 2.524 2025 V HA 0.295 4.420 4.120 0.008 0.000 0.297 2025 V C -0.115 176.035 176.094 0.093 0.000 1.035 2025 V CA -0.552 61.819 62.300 0.118 0.000 0.867 2025 V CB 2.120 33.996 31.823 0.089 0.000 1.004 2025 V HN 0.236 nan 8.190 nan 0.000 0.426 2026 V N 3.022 122.991 119.914 0.092 0.000 2.715 2026 V HA 0.544 4.669 4.120 0.008 0.000 0.310 2026 V C -0.735 175.316 176.094 -0.073 0.000 1.054 2026 V CA -0.734 61.483 62.300 -0.138 0.000 0.928 2026 V CB 2.481 33.913 31.823 -0.651 0.000 1.007 2026 V HN 0.827 nan 8.190 nan 0.000 0.437 2027 D N 2.320 122.648 120.400 -0.120 0.000 2.317 2027 D HA 0.492 5.137 4.640 0.008 0.000 0.234 2027 D C 0.295 176.544 176.300 -0.085 0.000 1.112 2027 D CA 0.060 54.022 54.000 -0.064 0.000 0.840 2027 D CB 1.491 42.247 40.800 -0.073 0.000 1.078 2027 D HN 0.768 nan 8.370 nan 0.000 0.486 2028 T N -2.142 112.405 114.554 -0.012 0.000 2.949 2028 T HA 0.327 4.682 4.350 0.008 0.000 0.287 2028 T C 1.396 175.988 174.700 -0.180 0.000 1.034 2028 T CA -0.807 61.280 62.100 -0.022 0.000 1.018 2028 T CB 0.993 70.022 68.868 0.269 0.000 1.135 2028 T HN -0.016 nan 8.240 nan 0.000 0.532 2029 V N 1.035 120.771 119.914 -0.297 0.000 2.332 2029 V HA -0.169 3.956 4.120 0.008 0.000 0.248 2029 V C 2.391 178.197 176.094 -0.481 0.000 1.055 2029 V CA 1.720 63.774 62.300 -0.410 0.000 1.038 2029 V CB -1.138 30.353 31.823 -0.554 0.000 0.651 2029 V HN 0.872 nan 8.190 nan 0.000 0.450 2030 H N -0.131 118.705 119.070 -0.389 0.000 2.539 2030 H HA 0.440 5.002 4.556 0.011 0.000 0.267 2030 H C 1.003 175.457 175.328 -1.458 0.000 0.982 2030 H CA 0.971 56.577 56.048 -0.737 0.000 1.146 2030 H CB 0.405 29.776 29.762 -0.651 0.000 1.382 2030 H HN 0.549 nan 8.280 nan 0.000 0.577 2031 G N 0.119 108.313 108.800 -1.009 0.000 2.368 2031 G HA2 0.030 3.995 3.960 0.008 0.000 0.302 2031 G HA3 0.030 3.995 3.960 0.008 0.000 0.302 2031 G C -1.329 173.550 174.900 -0.036 0.000 1.329 2031 G CA -1.099 43.426 45.100 -0.959 0.000 0.935 2031 G HN 0.021 nan 8.290 nan 0.000 0.590 2032 K N -0.632 119.973 120.400 0.341 0.000 2.118 2032 K HA 0.651 4.976 4.320 0.008 0.000 0.264 2032 K C 0.219 177.183 176.600 0.605 0.000 1.000 2032 K CA -0.514 56.012 56.287 0.398 0.000 0.929 2032 K CB 1.888 34.545 32.500 0.261 0.000 1.021 2032 K HN 1.009 nan 8.250 nan 0.000 0.463 2033 V N -0.179 119.992 119.914 0.427 0.000 2.876 2033 V HA 0.559 4.684 4.120 0.008 0.000 0.312 2033 V C -0.956 175.348 176.094 0.349 0.000 1.085 2033 V CA -1.112 61.430 62.300 0.403 0.000 0.945 2033 V CB 1.750 33.875 31.823 0.503 0.000 1.017 2033 V HN 0.667 nan 8.190 nan 0.000 0.428 2034 L N 3.293 124.660 121.223 0.240 0.000 2.325 2034 L HA 0.871 5.216 4.340 0.008 0.000 0.281 2034 L C 0.498 177.334 176.870 -0.058 0.000 1.004 2034 L CA 0.106 55.003 54.840 0.095 0.000 0.823 2034 L CB 1.348 43.426 42.059 0.032 0.000 1.236 2034 L HN 1.068 nan 8.230 nan 0.000 0.415 2035 G N 4.055 112.626 108.800 -0.383 0.000 3.039 2035 G HA2 0.574 4.539 3.960 0.008 0.000 0.159 2035 G HA3 0.574 4.539 3.960 0.008 0.000 0.159 2035 G C -1.364 173.190 174.900 -0.577 0.000 1.284 2035 G CA -0.449 44.172 45.100 -0.797 0.000 0.996 2035 G HN 0.619 nan 8.290 nan 0.000 0.592 2036 K N -1.035 118.980 120.400 -0.642 0.000 2.557 2036 K HA 0.440 4.765 4.320 0.008 0.000 0.257 2036 K C -1.869 174.509 176.600 -0.370 0.000 0.933 2036 K CA -0.772 55.275 56.287 -0.399 0.000 0.820 2036 K CB 1.344 33.708 32.500 -0.228 0.000 1.330 2036 K HN 0.269 nan 8.250 nan 0.000 0.432 2037 F N 1.578 121.462 119.950 -0.110 0.000 2.412 2037 F HA 0.408 4.940 4.527 0.009 0.000 0.348 2037 F C -0.013 175.770 175.800 -0.028 0.000 1.102 2037 F CA -0.420 57.547 58.000 -0.054 0.000 1.196 2037 F CB 1.761 40.747 39.000 -0.023 0.000 1.144 2037 F HN 0.129 nan 8.300 nan 0.000 0.541 2038 V N 2.601 122.640 119.914 0.208 0.000 2.623 2038 V HA 0.319 4.443 4.120 0.008 0.000 0.304 2038 V C -0.600 175.574 176.094 0.134 0.000 1.054 2038 V CA -0.821 61.560 62.300 0.135 0.000 0.882 2038 V CB 2.023 33.908 31.823 0.103 0.000 1.002 2038 V HN 0.762 nan 8.190 nan 0.000 0.424 2039 S N 4.247 120.011 115.700 0.106 0.000 2.617 2039 S HA 0.743 5.217 4.470 0.008 0.000 0.283 2039 S C -0.646 174.008 174.600 0.091 0.000 1.189 2039 S CA -0.435 57.822 58.200 0.095 0.000 1.036 2039 S CB 1.624 64.873 63.200 0.082 0.000 1.014 2039 S HN 0.535 nan 8.310 nan 0.000 0.522 2040 L N 2.424 123.700 121.223 0.088 0.000 2.329 2040 L HA 0.514 4.859 4.340 0.008 0.000 0.279 2040 L C -0.145 176.861 176.870 0.226 0.000 1.014 2040 L CA -0.718 54.178 54.840 0.093 0.000 0.814 2040 L CB 1.287 43.285 42.059 -0.100 0.000 1.257 2040 L HN 0.617 nan 8.230 nan 0.000 0.424 2041 E N 3.577 123.907 120.200 0.216 0.000 2.757 2041 E HA 0.320 4.674 4.350 0.008 0.000 0.238 2041 E C 0.988 177.745 176.600 0.260 0.000 1.057 2041 E CA 1.395 57.922 56.400 0.212 0.000 0.952 2041 E CB -0.443 29.370 29.700 0.188 0.000 0.934 2041 E HN 0.828 nan 8.360 nan 0.000 0.518 2042 G N 3.537 112.426 108.800 0.149 0.000 2.195 2042 G HA2 -0.241 3.724 3.960 0.008 0.000 0.224 2042 G HA3 -0.241 3.724 3.960 0.008 0.000 0.224 2042 G C -0.155 174.612 174.900 -0.222 0.000 0.990 2042 G CA -0.103 44.971 45.100 -0.042 0.000 0.639 2042 G HN 0.371 nan 8.290 nan 0.000 0.514 2043 F N 1.027 120.948 119.950 -0.048 0.000 2.444 2043 F HA 0.768 5.300 4.527 0.009 0.000 0.342 2043 F C 1.355 177.135 175.800 -0.033 0.000 1.121 2043 F CA -0.214 57.749 58.000 -0.061 0.000 0.997 2043 F CB 1.543 40.492 39.000 -0.084 0.000 1.130 2043 F HN 0.132 nan 8.300 nan 0.000 0.454 2044 A N 2.091 124.966 122.820 0.091 0.000 1.827 2044 A HA -0.182 4.143 4.320 0.008 0.000 0.215 2044 A C 1.098 178.717 177.584 0.058 0.000 1.212 2044 A CA 1.063 53.129 52.037 0.048 0.000 0.624 2044 A CB -0.809 18.199 19.000 0.013 0.000 0.853 2044 A HN 0.671 nan 8.150 nan 0.000 0.450 2045 Q N 1.134 120.974 119.800 0.067 0.000 2.263 2045 Q HA 0.262 4.607 4.340 0.008 0.000 0.289 2045 Q C -2.525 173.520 176.000 0.074 0.000 1.061 2045 Q CA -1.255 54.577 55.803 0.049 0.000 0.927 2045 Q CB 0.147 28.928 28.738 0.071 0.000 1.154 2045 Q HN 0.320 nan 8.270 nan 0.000 0.378 2046 P HA 0.164 nan 4.420 nan 0.000 0.276 2046 P C -1.170 176.263 177.300 0.222 0.000 1.252 2046 P CA -0.555 62.608 63.100 0.105 0.000 0.802 2046 P CB 0.856 32.581 31.700 0.042 0.000 1.035 2047 V N 1.047 121.098 119.914 0.229 0.000 2.481 2047 V HA 0.503 4.628 4.120 0.008 0.000 0.286 2047 V C 0.350 176.603 176.094 0.265 0.000 1.042 2047 V CA -0.578 61.867 62.300 0.241 0.000 0.928 2047 V CB 0.971 32.904 31.823 0.183 0.000 0.986 2047 V HN 0.646 nan 8.190 nan 0.000 0.462 2048 A N 6.709 129.665 122.820 0.228 0.000 2.279 2048 A HA 0.702 5.027 4.320 0.008 0.000 0.306 2048 A C -0.402 177.161 177.584 -0.035 0.000 1.300 2048 A CA -0.293 51.715 52.037 -0.049 0.000 0.925 2048 A CB -0.136 18.868 19.000 0.006 0.000 1.152 2048 A HN 0.759 nan 8.150 nan 0.000 0.544 2049 I N 2.672 123.063 120.570 -0.298 0.000 2.354 2049 I HA 0.376 4.550 4.170 0.008 0.000 0.292 2049 I C -1.200 174.623 176.117 -0.489 0.000 0.989 2049 I CA -0.263 60.842 61.300 -0.326 0.000 1.188 2049 I CB 1.275 39.090 38.000 -0.308 0.000 1.342 2049 I HN 0.529 nan 8.210 nan 0.000 0.457 2050 F N 6.715 126.529 119.950 -0.227 0.000 2.445 2050 F HA 0.486 5.018 4.527 0.008 0.000 0.348 2050 F C -0.254 175.433 175.800 -0.189 0.000 1.125 2050 F CA -0.575 57.351 58.000 -0.123 0.000 0.983 2050 F CB 1.121 40.158 39.000 0.063 0.000 1.198 2050 F HN 0.126 nan 8.300 nan 0.000 0.436 2051 L N 2.874 124.056 121.223 -0.068 0.000 2.295 2051 L HA 0.648 4.993 4.340 0.008 0.000 0.285 2051 L C 0.783 177.613 176.870 -0.065 0.000 1.035 2051 L CA -0.865 53.910 54.840 -0.109 0.000 0.806 2051 L CB 1.386 43.264 42.059 -0.302 0.000 1.214 2051 L HN 0.902 nan 8.230 nan 0.000 0.426 2052 G N 4.027 112.823 108.800 -0.007 0.000 2.353 2052 G HA2 -0.241 3.724 3.960 0.008 0.000 0.294 2052 G HA3 -0.241 3.724 3.960 0.008 0.000 0.294 2052 G C -0.337 174.662 174.900 0.165 0.000 1.077 2052 G CA -0.384 44.722 45.100 0.010 0.000 1.098 2052 G HN 0.498 nan 8.290 nan 0.000 0.511 2053 I N 2.008 122.661 120.570 0.138 0.000 2.342 2053 I HA 0.297 4.472 4.170 0.008 0.000 0.291 2053 I C -1.499 174.618 176.117 0.000 0.000 1.010 2053 I CA -2.460 58.879 61.300 0.065 0.000 1.308 2053 I CB 1.684 39.667 38.000 -0.027 0.000 1.400 2053 I HN 0.044 nan 8.210 nan 0.000 0.488 2054 P HA 0.050 nan 4.420 nan 0.000 0.276 2054 P C -0.312 176.860 177.300 -0.213 0.000 1.243 2054 P CA -0.042 62.818 63.100 -0.399 0.000 0.768 2054 P CB 0.498 32.000 31.700 -0.329 0.000 0.856 2055 F N 1.574 121.305 119.950 -0.365 0.000 2.654 2055 F HA 0.770 5.304 4.527 0.012 0.000 0.303 2055 F C -0.126 175.652 175.800 -0.036 0.000 1.099 2055 F CA -1.064 56.786 58.000 -0.251 0.000 1.270 2055 F CB 0.159 38.908 39.000 -0.418 0.000 1.024 2055 F HN 0.423 nan 8.300 nan 0.000 0.548 2056 A N 0.453 123.033 122.820 -0.400 0.000 2.567 2056 A HA 0.461 4.786 4.320 0.008 0.000 0.291 2056 A C -1.369 176.026 177.584 -0.315 0.000 1.048 2056 A CA -1.196 50.665 52.037 -0.293 0.000 0.661 2056 A CB 0.630 19.390 19.000 -0.401 0.000 1.288 2056 A HN 0.232 nan 8.150 nan 0.000 0.424 2057 K N 0.840 121.125 120.400 -0.193 0.000 2.350 2057 K HA 0.416 4.740 4.320 0.008 0.000 0.279 2057 K C -2.432 174.046 176.600 -0.204 0.000 1.027 2057 K CA -1.313 54.873 56.287 -0.167 0.000 0.969 2057 K CB 0.306 32.746 32.500 -0.101 0.000 0.954 2057 K HN 0.338 nan 8.250 nan 0.000 0.474 2058 P HA -0.026 nan 4.420 nan 0.000 0.258 2058 P C -2.371 174.839 177.300 -0.149 0.000 1.187 2058 P CA -0.811 62.181 63.100 -0.180 0.000 0.767 2058 P CB 0.245 31.873 31.700 -0.121 0.000 0.770 2059 P HA 0.008 nan 4.420 nan 0.000 0.237 2059 P C -0.621 176.595 177.300 -0.141 0.000 1.701 2059 P CA 0.583 63.593 63.100 -0.151 0.000 0.955 2059 P CB -0.050 31.558 31.700 -0.154 0.000 1.937 2060 L N -0.438 120.714 121.223 -0.118 0.000 2.332 2060 L HA 0.582 4.927 4.340 0.008 0.000 0.269 2060 L C 1.727 178.538 176.870 -0.098 0.000 1.016 2060 L CA -0.345 54.435 54.840 -0.100 0.000 0.809 2060 L CB 0.792 42.803 42.059 -0.079 0.000 1.280 2060 L HN 0.265 nan 8.230 nan 0.000 0.447 2061 G N 1.639 110.385 108.800 -0.090 0.000 2.672 2061 G HA2 -0.310 3.655 3.960 0.008 0.000 0.332 2061 G HA3 -0.310 3.655 3.960 0.008 0.000 0.332 2061 G C -1.551 173.290 174.900 -0.097 0.000 1.213 2061 G CA 0.521 45.571 45.100 -0.084 0.000 0.980 2061 G HN 0.585 nan 8.290 nan 0.000 0.548 2062 P HA 0.159 nan 4.420 nan 0.000 0.223 2062 P C 1.976 179.227 177.300 -0.082 0.000 1.151 2062 P CA 0.910 63.976 63.100 -0.057 0.000 0.787 2062 P CB -0.104 31.576 31.700 -0.032 0.000 0.788 2063 L N -1.583 119.575 121.223 -0.108 0.000 2.492 2063 L HA 0.062 4.407 4.340 0.008 0.000 0.223 2063 L C 1.505 178.239 176.870 -0.226 0.000 1.132 2063 L CA -0.113 54.644 54.840 -0.139 0.000 0.850 2063 L CB -0.339 41.650 42.059 -0.117 0.000 0.966 2063 L HN -0.058 nan 8.230 nan 0.000 0.454 2064 R N 0.856 121.193 120.500 -0.271 0.000 2.570 2064 R HA -0.063 4.281 4.340 0.008 0.000 0.277 2064 R C -0.345 175.623 176.300 -0.552 0.000 1.039 2064 R CA -0.031 55.778 56.100 -0.485 0.000 1.065 2064 R CB 0.175 30.110 30.300 -0.607 0.000 0.964 2064 R HN 0.062 nan 8.270 nan 0.000 0.428 2065 F N 0.286 119.892 119.950 -0.574 0.000 3.056 2065 F HA -0.251 4.278 4.527 0.004 0.000 0.301 2065 F C -0.095 174.773 175.800 -1.552 0.000 0.907 2065 F CA 1.401 58.687 58.000 -1.191 0.000 1.113 2065 F CB -2.498 36.224 39.000 -0.463 0.000 1.123 2065 F HN 0.678 nan 8.300 nan 0.000 0.661 2066 T N -3.380 110.528 114.554 -1.078 0.000 2.894 2066 T HA 0.735 5.090 4.350 0.008 0.000 0.309 2066 T C -3.033 171.528 174.700 -0.231 0.000 1.208 2066 T CA -2.341 59.371 62.100 -0.647 0.000 1.016 2066 T CB 3.232 71.941 68.868 -0.266 0.000 1.192 2066 T HN -0.235 nan 8.240 nan 0.000 0.491 2067 P HA 0.192 nan 4.420 nan 0.000 0.266 2067 P C -2.364 174.990 177.300 0.090 0.000 1.193 2067 P CA -0.683 62.542 63.100 0.209 0.000 0.770 2067 P CB -0.297 31.524 31.700 0.201 0.000 0.836 2068 P HA 0.098 nan 4.420 nan 0.000 0.276 2068 P C -0.647 176.684 177.300 0.051 0.000 1.235 2068 P CA 0.126 63.257 63.100 0.052 0.000 0.772 2068 P CB 0.762 32.515 31.700 0.089 0.000 0.871 2069 Q N 3.848 123.652 119.800 0.007 0.000 2.205 2069 Q HA 0.393 4.738 4.340 0.008 0.000 0.249 2069 Q C -2.176 173.833 176.000 0.015 0.000 0.948 2069 Q CA -2.050 53.763 55.803 0.017 0.000 0.895 2069 Q CB 0.324 29.059 28.738 -0.005 0.000 1.249 2069 Q HN 0.368 nan 8.270 nan 0.000 0.458 2070 P HA -0.052 nan 4.420 nan 0.000 0.265 2070 P C -1.318 175.946 177.300 -0.059 0.000 1.193 2070 P CA 0.189 63.325 63.100 0.059 0.000 0.765 2070 P CB 0.488 32.254 31.700 0.110 0.000 0.823 2071 A N 3.461 126.199 122.820 -0.136 0.000 2.511 2071 A HA 0.083 4.408 4.320 0.008 0.000 0.242 2071 A C 0.528 177.884 177.584 -0.379 0.000 1.069 2071 A CA -0.065 51.832 52.037 -0.234 0.000 0.763 2071 A CB -0.178 18.728 19.000 -0.157 0.000 1.001 2071 A HN 0.430 nan 8.150 nan 0.000 0.498 2072 E N 2.648 122.759 120.200 -0.149 0.000 2.373 2072 E HA 0.264 4.619 4.350 0.008 0.000 0.267 2072 E C -2.133 174.450 176.600 -0.029 0.000 1.032 2072 E CA -1.751 54.601 56.400 -0.080 0.000 0.889 2072 E CB 0.178 29.878 29.700 -0.000 0.000 0.984 2072 E HN 0.504 nan 8.360 nan 0.000 0.425 2073 P HA 0.115 nan 4.420 nan 0.000 0.275 2073 P C -0.780 176.553 177.300 0.056 0.000 1.228 2073 P CA -0.302 62.764 63.100 -0.057 0.000 0.786 2073 P CB 0.282 31.959 31.700 -0.039 0.000 0.927 2074 W N 1.010 122.327 121.300 0.029 0.000 2.647 2074 W HA 0.611 5.274 4.660 0.004 0.000 0.353 2074 W C 0.679 177.138 176.519 -0.100 0.000 1.080 2074 W CA -0.734 56.600 57.345 -0.018 0.000 1.208 2074 W CB -0.203 29.274 29.460 0.029 0.000 1.396 2074 W HN 0.136 nan 8.180 nan 0.000 0.573 2075 S N 0.503 116.207 115.700 0.006 0.000 2.377 2075 S HA 0.048 4.523 4.470 0.008 0.000 0.223 2075 S C 0.677 174.908 174.600 -0.614 0.000 1.030 2075 S CA 0.903 58.822 58.200 -0.468 0.000 0.970 2075 S CB -0.274 62.369 63.200 -0.929 0.000 0.830 2075 S HN 0.481 nan 8.310 nan 0.000 0.473 2076 F N 0.034 120.131 119.950 0.246 0.000 2.457 2076 F HA 0.468 5.000 4.527 0.008 0.000 0.173 2076 F C -0.074 175.879 175.800 0.254 0.000 1.412 2076 F CA -0.839 57.274 58.000 0.188 0.000 1.177 2076 F CB -0.163 38.909 39.000 0.120 0.000 1.863 2076 F HN -0.306 nan 8.300 nan 0.000 0.272 2077 V N 1.270 121.449 119.914 0.441 0.000 2.350 2077 V HA 0.260 4.384 4.120 0.008 0.000 0.285 2077 V C -0.414 175.796 176.094 0.194 0.000 1.014 2077 V CA -1.131 61.352 62.300 0.305 0.000 0.831 2077 V CB 0.969 32.916 31.823 0.208 0.000 1.000 2077 V HN 0.354 nan 8.190 nan 0.000 0.433 2078 K N 4.796 125.265 120.400 0.115 0.000 2.338 2078 K HA 0.129 4.454 4.320 0.008 0.000 0.290 2078 K C 0.326 176.896 176.600 -0.049 0.000 1.069 2078 K CA -0.274 55.922 56.287 -0.152 0.000 0.941 2078 K CB 0.329 32.406 32.500 -0.706 0.000 1.023 2078 K HN 0.706 nan 8.250 nan 0.000 0.477 2079 N N 3.642 122.310 118.700 -0.053 0.000 2.416 2079 N HA -0.008 4.737 4.740 0.008 0.000 0.265 2079 N C -1.074 174.391 175.510 -0.074 0.000 1.195 2079 N CA 0.141 53.163 53.050 -0.046 0.000 0.943 2079 N CB 0.932 39.383 38.487 -0.059 0.000 1.115 2079 N HN 0.633 nan 8.380 nan 0.000 0.481 2080 A N 3.240 126.040 122.820 -0.034 0.000 3.249 2080 A HA 0.206 4.530 4.320 0.008 0.000 0.297 2080 A C 0.738 178.251 177.584 -0.119 0.000 1.302 2080 A CA -0.544 51.469 52.037 -0.039 0.000 1.074 2080 A CB -0.507 18.561 19.000 0.113 0.000 1.132 2080 A HN 0.633 nan 8.150 nan 0.000 0.575 2081 T N -2.311 112.138 114.554 -0.175 0.000 3.380 2081 T HA 0.427 4.782 4.350 0.008 0.000 0.289 2081 T C 0.032 174.543 174.700 -0.314 0.000 1.012 2081 T CA 0.261 62.215 62.100 -0.243 0.000 0.944 2081 T CB -0.737 68.008 68.868 -0.205 0.000 1.172 2081 T HN 0.825 nan 8.240 nan 0.000 0.502 2082 S N 0.405 115.902 115.700 -0.338 0.000 2.572 2082 S HA 0.627 5.102 4.470 0.008 0.000 0.274 2082 S C -0.902 173.458 174.600 -0.399 0.000 1.150 2082 S CA -0.966 56.998 58.200 -0.393 0.000 0.944 2082 S CB 0.625 63.686 63.200 -0.231 0.000 1.071 2082 S HN 0.219 nan 8.310 nan 0.000 0.479 2083 Y N 3.146 123.380 120.300 -0.110 0.000 2.811 2083 Y HA 0.235 4.789 4.550 0.007 0.000 0.334 2083 Y C -1.281 174.504 175.900 -0.191 0.000 1.247 2083 Y CA -0.766 57.263 58.100 -0.119 0.000 1.526 2083 Y CB -0.235 38.174 38.460 -0.086 0.000 1.284 2083 Y HN 0.537 nan 8.280 nan 0.000 0.586 2084 P HA 0.264 nan 4.420 nan 0.000 0.289 2084 P C -2.673 174.507 177.300 -0.201 0.000 1.299 2084 P CA -1.641 61.248 63.100 -0.352 0.000 0.766 2084 P CB 0.477 31.845 31.700 -0.555 0.000 1.226 2085 P HA 0.325 nan 4.420 nan 0.000 0.279 2085 P C -0.321 176.919 177.300 -0.101 0.000 1.252 2085 P CA -0.381 62.635 63.100 -0.140 0.000 0.811 2085 P CB 0.305 31.921 31.700 -0.141 0.000 1.035 2086 M N -0.297 119.240 119.600 -0.104 0.000 2.314 2086 M HA 0.490 4.975 4.480 0.008 0.000 0.342 2086 M C -0.665 175.553 176.300 -0.135 0.000 1.171 2086 M CA -0.547 54.686 55.300 -0.110 0.000 1.098 2086 M CB 0.422 32.952 32.600 -0.117 0.000 1.559 2086 M HN 0.117 nan 8.290 nan 0.000 0.459 2087 c N 1.788 120.299 118.600 -0.148 0.000 2.679 2087 c HA 0.159 4.734 4.570 0.008 0.000 0.417 2087 c C 1.020 174.941 174.090 -0.283 0.000 1.302 2087 c CA -0.373 55.822 56.329 -0.224 0.000 1.973 2087 c CB -0.463 41.925 42.510 -0.202 0.000 2.715 2087 c HN 0.888 nan 8.230 nan 0.000 0.628 2088 T N 3.867 118.131 114.554 -0.483 0.000 2.923 2088 T HA 0.273 4.628 4.350 0.008 0.000 0.320 2088 T C -0.059 174.447 174.700 -0.323 0.000 1.074 2088 T CA 0.484 62.263 62.100 -0.534 0.000 1.131 2088 T CB -0.099 68.094 68.868 -1.124 0.000 1.058 2088 T HN 0.922 nan 8.240 nan 0.000 0.535 2089 Q N -0.004 119.724 119.800 -0.119 0.000 2.959 2089 Q HA 0.191 4.536 4.340 0.008 0.000 0.288 2089 Q C -1.789 174.244 176.000 0.054 0.000 0.911 2089 Q CA -1.115 54.710 55.803 0.037 0.000 0.800 2089 Q CB 0.484 29.233 28.738 0.017 0.000 1.645 2089 Q HN 0.427 nan 8.270 nan 0.000 0.454 2090 D N 1.709 122.166 120.400 0.095 0.000 2.455 2090 D HA 0.047 4.691 4.640 0.008 0.000 0.265 2090 D C -1.601 174.715 176.300 0.027 0.000 1.284 2090 D CA -0.982 53.059 54.000 0.069 0.000 0.944 2090 D CB 0.955 41.799 40.800 0.073 0.000 1.121 2090 D HN 0.256 nan 8.370 nan 0.000 0.525 2091 P HA -0.198 nan 4.420 nan 0.000 0.213 2091 P C 1.216 178.509 177.300 -0.013 0.000 1.170 2091 P CA 1.681 64.775 63.100 -0.010 0.000 0.902 2091 P CB 0.188 31.881 31.700 -0.011 0.000 0.789 2092 K N -0.454 119.942 120.400 -0.006 0.000 2.020 2092 K HA -0.159 4.166 4.320 0.008 0.000 0.212 2092 K C 2.215 178.806 176.600 -0.016 0.000 1.050 2092 K CA 1.867 58.148 56.287 -0.011 0.000 0.929 2092 K CB -0.920 31.577 32.500 -0.005 0.000 0.714 2092 K HN 0.069 nan 8.250 nan 0.000 0.443 2093 A N 1.216 124.032 122.820 -0.007 0.000 1.930 2093 A HA -0.047 4.278 4.320 0.008 0.000 0.217 2093 A C 2.448 180.018 177.584 -0.024 0.000 1.175 2093 A CA 1.738 53.767 52.037 -0.014 0.000 0.627 2093 A CB -1.050 17.955 19.000 0.008 0.000 0.815 2093 A HN 0.441 nan 8.150 nan 0.000 0.443 2094 G N -0.788 108.003 108.800 -0.015 0.000 2.421 2094 G HA2 -0.275 3.690 3.960 0.008 0.000 0.216 2094 G HA3 -0.275 3.690 3.960 0.008 0.000 0.216 2094 G C 1.635 176.507 174.900 -0.047 0.000 1.171 2094 G CA 1.102 46.188 45.100 -0.023 0.000 0.775 2094 G HN 0.613 nan 8.290 nan 0.000 0.543 2095 Q N -0.641 119.129 119.800 -0.050 0.000 2.172 2095 Q HA 0.022 4.367 4.340 0.008 0.000 0.200 2095 Q C 2.404 178.364 176.000 -0.067 0.000 0.964 2095 Q CA 0.716 56.482 55.803 -0.061 0.000 0.855 2095 Q CB -0.177 28.530 28.738 -0.051 0.000 0.918 2095 Q HN 0.378 nan 8.270 nan 0.000 0.444 2096 L N 0.479 121.665 121.223 -0.061 0.000 2.046 2096 L HA -0.150 4.195 4.340 0.008 0.000 0.208 2096 L C 2.045 178.847 176.870 -0.113 0.000 1.077 2096 L CA 1.412 56.212 54.840 -0.066 0.000 0.747 2096 L CB -0.563 41.461 42.059 -0.058 0.000 0.896 2096 L HN 0.368 nan 8.230 nan 0.000 0.432 2097 L N -1.451 119.684 121.223 -0.146 0.000 2.109 2097 L HA -0.119 4.226 4.340 0.008 0.000 0.207 2097 L C 2.676 179.400 176.870 -0.242 0.000 1.086 2097 L CA 1.908 56.589 54.840 -0.266 0.000 0.760 2097 L CB -0.760 41.169 42.059 -0.216 0.000 0.910 2097 L HN 0.405 nan 8.230 nan 0.000 0.437 2098 S N -0.579 115.037 115.700 -0.140 0.000 2.359 2098 S HA -0.244 4.231 4.470 0.008 0.000 0.224 2098 S C 1.855 176.374 174.600 -0.136 0.000 1.035 2098 S CA 1.753 59.870 58.200 -0.140 0.000 1.018 2098 S CB -0.322 62.798 63.200 -0.133 0.000 0.876 2098 S HN 0.647 nan 8.310 nan 0.000 0.448 2099 E N 0.684 120.825 120.200 -0.098 0.000 2.051 2099 E HA -0.117 4.238 4.350 0.008 0.000 0.192 2099 E C 2.096 178.698 176.600 0.003 0.000 0.991 2099 E CA 1.334 57.704 56.400 -0.050 0.000 0.799 2099 E CB -0.366 29.320 29.700 -0.024 0.000 0.748 2099 E HN 0.508 nan 8.360 nan 0.000 0.449 2100 L N -0.105 121.103 121.223 -0.024 0.000 2.456 2100 L HA -0.096 4.249 4.340 0.008 0.000 0.224 2100 L C 1.590 178.616 176.870 0.261 0.000 1.148 2100 L CA 0.484 55.369 54.840 0.075 0.000 0.825 2100 L CB -0.046 41.972 42.059 -0.068 0.000 0.937 2100 L HN 0.108 nan 8.230 nan 0.000 0.450 2101 F N -1.622 118.267 119.950 -0.102 0.000 2.740 2101 F HA 0.162 4.693 4.527 0.007 0.000 0.304 2101 F C 1.658 177.120 175.800 -0.565 0.000 1.098 2101 F CA -0.649 57.157 58.000 -0.323 0.000 1.258 2101 F CB -0.560 38.296 39.000 -0.239 0.000 1.061 2101 F HN -0.226 nan 8.300 nan 0.000 0.598 2102 T N 2.336 116.722 114.554 -0.280 0.000 2.908 2102 T HA -0.065 4.290 4.350 0.008 0.000 0.325 2102 T C 1.135 175.637 174.700 -0.329 0.000 1.092 2102 T CA 0.388 62.242 62.100 -0.410 0.000 1.125 2102 T CB 0.256 68.956 68.868 -0.279 0.000 1.016 2102 T HN 0.411 nan 8.240 nan 0.000 0.550 2103 N N 2.998 121.479 118.700 -0.366 0.000 2.204 2103 N HA 0.077 4.822 4.740 0.008 0.000 0.219 2103 N C 0.065 175.452 175.510 -0.205 0.000 1.151 2103 N CA -0.380 52.507 53.050 -0.272 0.000 0.867 2103 N CB 0.260 38.594 38.487 -0.254 0.000 1.043 2103 N HN 0.464 nan 8.380 nan 0.000 0.516 2104 R N 0.813 121.202 120.500 -0.185 0.000 2.560 2104 R HA 0.204 4.549 4.340 0.008 0.000 0.270 2104 R C 1.307 177.554 176.300 -0.089 0.000 1.074 2104 R CA -0.491 55.537 56.100 -0.120 0.000 1.140 2104 R CB 1.537 31.761 30.300 -0.126 0.000 1.073 2104 R HN 0.032 nan 8.270 nan 0.000 0.527 2105 K N 1.022 121.394 120.400 -0.047 0.000 2.063 2105 K HA -0.173 4.152 4.320 0.008 0.000 0.208 2105 K C -0.046 176.542 176.600 -0.020 0.000 1.048 2105 K CA 1.613 57.888 56.287 -0.020 0.000 0.928 2105 K CB 0.230 32.733 32.500 0.006 0.000 0.713 2105 K HN 0.533 nan 8.250 nan 0.000 0.442 2106 E N 0.678 120.860 120.200 -0.031 0.000 2.265 2106 E HA 0.091 4.446 4.350 0.008 0.000 0.262 2106 E C -1.458 175.103 176.600 -0.065 0.000 0.889 2106 E CA -0.523 55.857 56.400 -0.034 0.000 0.789 2106 E CB 1.017 30.707 29.700 -0.018 0.000 1.221 2106 E HN 0.252 nan 8.360 nan 0.000 0.414 2107 N N 4.476 123.131 118.700 -0.075 0.000 2.293 2107 N HA -0.059 4.686 4.740 0.008 0.000 0.253 2107 N C -0.412 175.023 175.510 -0.126 0.000 1.248 2107 N CA 0.244 53.226 53.050 -0.114 0.000 0.845 2107 N CB 0.523 38.954 38.487 -0.095 0.000 1.073 2107 N HN 0.454 nan 8.380 nan 0.000 0.464 2108 I N 5.370 125.825 120.570 -0.192 0.000 2.301 2108 I HA 0.206 4.381 4.170 0.008 0.000 0.292 2108 I C -1.713 174.303 176.117 -0.168 0.000 1.046 2108 I CA -1.886 59.288 61.300 -0.208 0.000 1.282 2108 I CB 1.258 39.005 38.000 -0.421 0.000 1.409 2108 I HN 0.440 nan 8.210 nan 0.000 0.484 2109 P HA 0.199 nan 4.420 nan 0.000 0.271 2109 P C -0.813 176.439 177.300 -0.081 0.000 1.216 2109 P CA 0.079 63.129 63.100 -0.082 0.000 0.771 2109 P CB 1.107 32.774 31.700 -0.054 0.000 0.864 2110 L N 1.951 123.123 121.223 -0.085 0.000 2.298 2110 L HA 0.584 4.928 4.340 0.008 0.000 0.268 2110 L C 0.562 177.392 176.870 -0.068 0.000 1.010 2110 L CA -1.236 53.558 54.840 -0.077 0.000 0.812 2110 L CB 1.098 43.099 42.059 -0.097 0.000 1.331 2110 L HN 0.183 nan 8.230 nan 0.000 0.450 2111 K N 0.459 120.816 120.400 -0.072 0.000 2.208 2111 K HA 0.655 4.979 4.320 0.008 0.000 0.247 2111 K C -1.033 175.511 176.600 -0.093 0.000 0.953 2111 K CA -0.365 55.877 56.287 -0.076 0.000 0.837 2111 K CB 1.510 33.965 32.500 -0.076 0.000 1.131 2111 K HN 0.328 nan 8.250 nan 0.000 0.431 2112 L N 0.754 121.919 121.223 -0.096 0.000 2.379 2112 L HA 0.640 4.985 4.340 0.008 0.000 0.269 2112 L C -0.087 176.698 176.870 -0.141 0.000 1.084 2112 L CA -0.540 54.225 54.840 -0.126 0.000 0.802 2112 L CB 1.667 43.654 42.059 -0.119 0.000 1.175 2112 L HN 0.578 nan 8.230 nan 0.000 0.448 2113 S N -0.260 115.325 115.700 -0.191 0.000 2.675 2113 S HA 0.102 4.576 4.470 0.008 0.000 0.297 2113 S C -0.042 174.404 174.600 -0.257 0.000 1.035 2113 S CA -0.629 57.458 58.200 -0.188 0.000 0.852 2113 S CB 1.082 64.207 63.200 -0.126 0.000 1.051 2113 S HN 0.763 nan 8.310 nan 0.000 0.451 2114 E N 1.173 121.209 120.200 -0.275 0.000 2.274 2114 E HA -0.051 4.304 4.350 0.008 0.000 0.194 2114 E C -0.108 176.377 176.600 -0.193 0.000 0.996 2114 E CA 0.518 56.723 56.400 -0.325 0.000 0.840 2114 E CB 0.108 29.652 29.700 -0.261 0.000 0.772 2114 E HN 0.531 nan 8.360 nan 0.000 0.491 2115 D N 0.350 120.680 120.400 -0.118 0.000 2.470 2115 D HA -0.015 4.629 4.640 0.008 0.000 0.226 2115 D C 0.047 176.385 176.300 0.063 0.000 1.196 2115 D CA -0.234 53.741 54.000 -0.041 0.000 0.979 2115 D CB 0.046 40.846 40.800 -0.001 0.000 1.059 2115 D HN 0.178 nan 8.370 nan 0.000 0.515 2116 c N 2.620 121.219 118.600 -0.001 0.000 3.772 2116 c HA 0.361 4.936 4.570 0.008 0.000 0.293 2116 c C 0.722 174.823 174.090 0.020 0.000 1.659 2116 c CA -0.669 55.722 56.329 0.104 0.000 1.810 2116 c CB -1.285 41.202 42.510 -0.038 0.000 3.059 2116 c HN 0.449 nan 8.230 nan 0.000 0.617 2117 L N 2.545 123.545 121.223 -0.372 0.000 2.376 2117 L HA 0.334 4.679 4.340 0.008 0.000 0.250 2117 L C -0.573 175.672 176.870 -1.042 0.000 1.335 2117 L CA 0.501 54.907 54.840 -0.723 0.000 1.214 2117 L CB -0.865 40.583 42.059 -1.019 0.000 1.395 2117 L HN 0.387 nan 8.230 nan 0.000 0.424 2118 Y N 1.960 122.188 120.300 -0.119 0.000 2.650 2118 Y HA 0.756 5.311 4.550 0.008 0.000 0.331 2118 Y C -0.020 176.010 175.900 0.216 0.000 1.082 2118 Y CA -1.241 56.862 58.100 0.006 0.000 1.171 2118 Y CB 1.746 40.176 38.460 -0.049 0.000 1.326 2118 Y HN 0.166 nan 8.280 nan 0.000 0.513 2119 L N -0.392 120.967 121.223 0.226 0.000 2.505 2119 L HA 0.692 5.036 4.340 0.008 0.000 0.259 2119 L C -1.754 175.141 176.870 0.041 0.000 0.952 2119 L CA -1.050 53.845 54.840 0.092 0.000 0.840 2119 L CB 1.891 43.881 42.059 -0.115 0.000 1.358 2119 L HN 0.372 nan 8.230 nan 0.000 0.409 2120 N N 2.531 121.294 118.700 0.104 0.000 2.362 2120 N HA 0.740 5.485 4.740 0.008 0.000 0.298 2120 N C -1.125 174.453 175.510 0.113 0.000 1.048 2120 N CA -0.215 52.896 53.050 0.101 0.000 0.858 2120 N CB 2.536 41.156 38.487 0.221 0.000 1.218 2120 N HN 0.705 nan 8.380 nan 0.000 0.488 2121 I N 1.741 122.306 120.570 -0.008 0.000 2.474 2121 I HA 0.328 4.503 4.170 0.008 0.000 0.294 2121 I C -1.067 175.076 176.117 0.043 0.000 1.005 2121 I CA -0.753 60.579 61.300 0.053 0.000 1.113 2121 I CB 1.184 39.065 38.000 -0.199 0.000 1.289 2121 I HN 0.337 nan 8.210 nan 0.000 0.436 2122 Y N 3.235 123.657 120.300 0.204 0.000 2.402 2122 Y HA 0.334 4.889 4.550 0.008 0.000 0.325 2122 Y C 0.216 176.245 175.900 0.215 0.000 1.009 2122 Y CA -0.769 57.459 58.100 0.214 0.000 1.278 2122 Y CB 1.923 40.483 38.460 0.167 0.000 1.105 2122 Y HN 0.365 nan 8.280 nan 0.000 0.476 2123 T N 4.861 119.639 114.554 0.373 0.000 2.779 2123 T HA 0.332 4.686 4.350 0.008 0.000 0.280 2123 T C -1.951 172.913 174.700 0.273 0.000 0.987 2123 T CA -2.359 59.935 62.100 0.322 0.000 0.966 2123 T CB 1.246 70.339 68.868 0.375 0.000 0.933 2123 T HN 0.334 nan 8.240 nan 0.000 0.442 2124 P HA 0.223 nan 4.420 nan 0.000 0.245 2124 P C 0.484 177.885 177.300 0.169 0.000 1.206 2124 P CA -0.096 63.104 63.100 0.167 0.000 0.781 2124 P CB 0.009 31.777 31.700 0.114 0.000 0.994 2125 A N 1.165 124.097 122.820 0.186 0.000 2.429 2125 A HA 0.091 4.416 4.320 0.008 0.000 0.242 2125 A C 0.174 177.866 177.584 0.180 0.000 1.088 2125 A CA 0.118 52.254 52.037 0.165 0.000 0.784 2125 A CB -0.399 18.700 19.000 0.164 0.000 1.038 2125 A HN 0.009 nan 8.150 nan 0.000 0.501 2126 D N 1.169 121.653 120.400 0.140 0.000 2.499 2126 D HA 0.320 4.965 4.640 0.008 0.000 0.225 2126 D C 0.911 177.293 176.300 0.135 0.000 1.124 2126 D CA -0.230 53.851 54.000 0.135 0.000 0.938 2126 D CB -0.294 40.557 40.800 0.084 0.000 1.014 2126 D HN 0.400 nan 8.370 nan 0.000 0.517 2127 L N 2.151 123.484 121.223 0.183 0.000 2.357 2127 L HA -0.184 4.160 4.340 0.008 0.000 0.220 2127 L C 2.127 179.057 176.870 0.100 0.000 1.123 2127 L CA 1.585 56.509 54.840 0.140 0.000 0.782 2127 L CB -0.777 41.383 42.059 0.169 0.000 0.910 2127 L HN 0.498 nan 8.230 nan 0.000 0.442 2128 T N -4.072 110.545 114.554 0.104 0.000 3.148 2128 T HA 0.080 4.434 4.350 0.008 0.000 0.253 2128 T C 0.718 175.448 174.700 0.050 0.000 1.134 2128 T CA 0.171 62.314 62.100 0.071 0.000 1.051 2128 T CB 0.130 69.037 68.868 0.065 0.000 0.959 2128 T HN 0.265 nan 8.240 nan 0.000 0.525 2129 K N -0.143 120.289 120.400 0.052 0.000 2.197 2129 K HA 0.507 4.832 4.320 0.008 0.000 0.247 2129 K C -0.961 175.661 176.600 0.037 0.000 1.077 2129 K CA -1.100 55.211 56.287 0.040 0.000 0.882 2129 K CB 1.425 33.949 32.500 0.041 0.000 1.396 2129 K HN -0.198 nan 8.250 nan 0.000 0.482 2130 K N 2.395 122.813 120.400 0.030 0.000 2.354 2130 K HA 0.257 4.582 4.320 0.008 0.000 0.257 2130 K C -1.260 175.360 176.600 0.034 0.000 1.062 2130 K CA -0.214 56.089 56.287 0.027 0.000 0.971 2130 K CB 0.243 32.752 32.500 0.016 0.000 1.305 2130 K HN 0.508 nan 8.250 nan 0.000 0.449 2131 N N 2.736 121.464 118.700 0.047 0.000 2.417 2131 N HA 0.357 5.102 4.740 0.008 0.000 0.300 2131 N C -0.385 175.157 175.510 0.054 0.000 1.102 2131 N CA -0.617 52.465 53.050 0.054 0.000 0.886 2131 N CB 1.502 40.034 38.487 0.075 0.000 1.203 2131 N HN 0.282 nan 8.380 nan 0.000 0.496 2132 R N 2.002 122.530 120.500 0.047 0.000 2.782 2132 R HA 0.345 4.690 4.340 0.008 0.000 0.293 2132 R C -0.198 176.130 176.300 0.047 0.000 1.333 2132 R CA -0.365 55.761 56.100 0.043 0.000 1.479 2132 R CB 0.153 30.467 30.300 0.024 0.000 1.306 2132 R HN 0.484 nan 8.270 nan 0.000 0.654 2133 L N 2.533 123.796 121.223 0.066 0.000 2.467 2133 L HA 0.239 4.584 4.340 0.008 0.000 0.270 2133 L C -1.621 175.288 176.870 0.066 0.000 1.205 2133 L CA -1.558 53.322 54.840 0.067 0.000 0.828 2133 L CB 0.099 42.211 42.059 0.088 0.000 1.101 2133 L HN -0.062 nan 8.230 nan 0.000 0.479 2134 P HA 0.086 nan 4.420 nan 0.000 0.271 2134 P C -0.912 176.434 177.300 0.077 0.000 1.216 2134 P CA -0.162 62.968 63.100 0.050 0.000 0.776 2134 P CB 1.056 32.770 31.700 0.022 0.000 0.881 2135 V N 4.661 124.633 119.914 0.097 0.000 2.435 2135 V HA 0.378 4.502 4.120 0.008 0.000 0.290 2135 V C 0.592 176.768 176.094 0.136 0.000 1.030 2135 V CA -0.376 62.001 62.300 0.128 0.000 0.881 2135 V CB 1.054 32.964 31.823 0.144 0.000 0.983 2135 V HN 0.491 nan 8.190 nan 0.000 0.445 2136 M N 4.768 124.466 119.600 0.163 0.000 2.114 2136 M HA 0.499 4.984 4.480 0.008 0.000 0.332 2136 M C -1.081 175.486 176.300 0.444 0.000 1.014 2136 M CA -0.573 54.853 55.300 0.210 0.000 0.956 2136 M CB 1.984 34.583 32.600 -0.001 0.000 1.551 2136 M HN 0.389 nan 8.290 nan 0.000 0.427 2137 V N 3.587 123.783 119.914 0.470 0.000 2.328 2137 V HA 0.268 4.393 4.120 0.008 0.000 0.278 2137 V C -0.599 175.755 176.094 0.433 0.000 1.021 2137 V CA -0.645 61.887 62.300 0.388 0.000 0.838 2137 V CB 0.946 32.881 31.823 0.187 0.000 0.999 2137 V HN 0.847 nan 8.190 nan 0.000 0.447 2138 W N 6.974 128.332 121.300 0.096 0.000 2.316 2138 W HA 0.564 5.229 4.660 0.008 0.000 0.311 2138 W C -1.081 175.327 176.519 -0.184 0.000 1.217 2138 W CA -0.716 56.431 57.345 -0.330 0.000 1.199 2138 W CB 1.106 30.369 29.460 -0.328 0.000 1.202 2138 W HN 0.441 nan 8.180 nan 0.000 0.528 2139 I N 8.217 128.208 120.570 -0.965 0.000 2.405 2139 I HA 0.029 4.204 4.170 0.008 0.000 0.280 2139 I C 0.962 176.439 176.117 -1.066 0.000 1.027 2139 I CA -0.810 60.068 61.300 -0.704 0.000 1.161 2139 I CB 0.539 38.223 38.000 -0.528 0.000 1.300 2139 I HN 0.413 nan 8.210 nan 0.000 0.463 2140 H N 4.824 123.432 119.070 -0.769 0.000 2.895 2140 H HA 0.347 4.907 4.556 0.007 0.000 0.371 2140 H C -0.115 175.136 175.328 -0.127 0.000 1.219 2140 H CA -0.084 55.666 56.048 -0.497 0.000 1.431 2140 H CB 0.861 30.605 29.762 -0.031 0.000 1.414 2140 H HN 0.591 nan 8.280 nan 0.000 0.617 2141 G N -2.090 106.696 108.800 -0.024 0.000 2.938 2141 G HA2 0.490 4.455 3.960 0.008 0.000 0.258 2141 G HA3 0.490 4.455 3.960 0.008 0.000 0.258 2141 G C 0.256 175.268 174.900 0.187 0.000 1.356 2141 G CA -0.769 44.349 45.100 0.029 0.000 1.052 2141 G HN 1.236 nan 8.290 nan 0.000 0.550 2142 G N -2.770 106.136 108.800 0.176 0.000 2.215 2142 G HA2 0.407 4.372 3.960 0.008 0.000 0.187 2142 G HA3 0.407 4.372 3.960 0.008 0.000 0.187 2142 G C 1.061 176.002 174.900 0.069 0.000 1.039 2142 G CA 0.838 46.030 45.100 0.154 0.000 0.771 2142 G HN 2.388 nan 8.290 nan 0.000 0.507 2143 G N -0.020 108.803 108.800 0.039 0.000 2.155 2143 G HA2 -0.183 3.782 3.960 0.008 0.000 0.257 2143 G HA3 -0.183 3.782 3.960 0.008 0.000 0.257 2143 G C 1.109 175.955 174.900 -0.091 0.000 0.983 2143 G CA 0.709 45.792 45.100 -0.028 0.000 0.676 2143 G HN 1.744 nan 8.290 nan 0.000 0.528 2144 L N -3.166 118.032 121.223 -0.043 0.000 4.696 2144 L HA -0.270 4.074 4.340 0.008 0.000 0.425 2144 L C 1.995 178.892 176.870 0.045 0.000 1.115 2144 L CA 1.642 56.466 54.840 -0.028 0.000 0.996 2144 L CB -1.509 40.263 42.059 -0.478 0.000 2.077 2144 L HN 0.428 nan 8.230 nan 0.000 0.792 2145 M N -1.361 118.260 119.600 0.036 0.000 2.638 2145 M HA 0.323 4.808 4.480 0.008 0.000 0.256 2145 M C 0.851 177.215 176.300 0.106 0.000 1.282 2145 M CA 1.236 56.584 55.300 0.079 0.000 1.155 2145 M CB 0.487 33.116 32.600 0.048 0.000 1.345 2145 M HN 0.233 nan 8.290 nan 0.000 0.523 2146 V N -2.818 117.150 119.914 0.089 0.000 3.156 2146 V HA 1.042 5.167 4.120 0.008 0.000 0.310 2146 V C -0.187 176.002 176.094 0.157 0.000 1.234 2146 V CA -0.313 62.041 62.300 0.090 0.000 1.065 2146 V CB 1.127 32.989 31.823 0.064 0.000 1.088 2146 V HN 0.538 nan 8.190 nan 0.000 0.451 2147 G N -0.874 108.013 108.800 0.145 0.000 2.587 2147 G HA2 0.563 4.528 3.960 0.008 0.000 0.686 2147 G HA3 0.563 4.528 3.960 0.008 0.000 0.686 2147 G C -0.595 174.258 174.900 -0.077 0.000 1.236 2147 G CA -0.128 45.116 45.100 0.240 0.000 0.820 2147 G HN 2.594 nan 8.290 nan 0.000 0.645 2148 A N -0.569 122.010 122.820 -0.403 0.000 2.593 2148 A HA 1.090 5.415 4.320 0.008 0.000 0.290 2148 A C 0.851 178.150 177.584 -0.475 0.000 1.126 2148 A CA 0.578 52.313 52.037 -0.504 0.000 0.695 2148 A CB 0.999 19.877 19.000 -0.203 0.000 1.290 2148 A HN 2.547 nan 8.150 nan 0.000 0.414 2149 A N -0.204 122.482 122.820 -0.223 0.000 1.911 2149 A HA 0.209 4.533 4.320 0.008 0.000 0.212 2149 A C 2.014 179.689 177.584 0.151 0.000 1.189 2149 A CA 1.902 53.971 52.037 0.054 0.000 0.639 2149 A CB -0.837 18.233 19.000 0.117 0.000 0.839 2149 A HN 0.944 nan 8.150 nan 0.000 0.449 2150 S N 0.188 115.915 115.700 0.046 0.000 2.419 2150 S HA -0.144 4.331 4.470 0.008 0.000 0.235 2150 S C 1.885 176.391 174.600 -0.157 0.000 1.019 2150 S CA 1.728 59.914 58.200 -0.023 0.000 0.982 2150 S CB -0.528 62.591 63.200 -0.136 0.000 0.789 2150 S HN 0.687 nan 8.310 nan 0.000 0.490 2151 T N 0.681 115.135 114.554 -0.166 0.000 2.803 2151 T HA -0.112 4.242 4.350 0.008 0.000 0.269 2151 T C 0.000 174.350 174.700 -0.584 0.000 1.052 2151 T CA 1.109 62.980 62.100 -0.382 0.000 1.136 2151 T CB -0.301 68.289 68.868 -0.464 0.000 0.864 2151 T HN 0.416 nan 8.240 nan 0.000 0.467 2152 Y N 1.829 121.933 120.300 -0.326 0.000 2.518 2152 Y HA 0.415 4.970 4.550 0.008 0.000 0.344 2152 Y C 0.091 175.689 175.900 -0.503 0.000 0.982 2152 Y CA -2.103 55.618 58.100 -0.631 0.000 1.234 2152 Y CB 0.225 38.077 38.460 -1.014 0.000 1.114 2152 Y HN -0.079 nan 8.280 nan 0.000 0.515 2153 D N 2.173 122.363 120.400 -0.350 0.000 2.317 2153 D HA 0.190 4.834 4.640 0.008 0.000 0.252 2153 D C 0.950 176.989 176.300 -0.436 0.000 1.174 2153 D CA 0.043 53.871 54.000 -0.287 0.000 0.866 2153 D CB 1.489 42.209 40.800 -0.132 0.000 1.127 2153 D HN 0.808 nan 8.370 nan 0.000 0.467 2154 G N 3.698 111.854 108.800 -1.073 0.000 3.233 2154 G HA2 -0.063 3.901 3.960 0.008 0.000 0.234 2154 G HA3 -0.063 3.901 3.960 0.008 0.000 0.234 2154 G C 1.349 176.016 174.900 -0.389 0.000 1.137 2154 G CA -0.253 44.414 45.100 -0.722 0.000 0.763 2154 G HN 0.522 nan 8.290 nan 0.000 0.549 2155 L N 0.986 122.069 121.223 -0.232 0.000 2.042 2155 L HA -0.053 4.292 4.340 0.008 0.000 0.210 2155 L C 2.678 179.518 176.870 -0.051 0.000 1.076 2155 L CA 2.331 57.199 54.840 0.047 0.000 0.749 2155 L CB -0.775 41.364 42.059 0.133 0.000 0.893 2155 L HN 0.283 nan 8.230 nan 0.000 0.432 2156 A N -0.163 122.623 122.820 -0.056 0.000 1.898 2156 A HA -0.208 4.117 4.320 0.008 0.000 0.216 2156 A C 2.158 179.672 177.584 -0.117 0.000 1.181 2156 A CA 1.658 53.647 52.037 -0.081 0.000 0.620 2156 A CB -0.684 18.343 19.000 0.045 0.000 0.819 2156 A HN 0.485 nan 8.150 nan 0.000 0.442 2157 L N -0.221 120.955 121.223 -0.079 0.000 2.007 2157 L HA 0.080 4.425 4.340 0.008 0.000 0.205 2157 L C 2.650 179.491 176.870 -0.049 0.000 1.073 2157 L CA 2.235 57.024 54.840 -0.086 0.000 0.744 2157 L CB -1.290 40.696 42.059 -0.122 0.000 0.898 2157 L HN 0.330 nan 8.230 nan 0.000 0.435 2158 A N 0.007 122.816 122.820 -0.019 0.000 1.884 2158 A HA -0.249 4.076 4.320 0.008 0.000 0.219 2158 A C 2.457 180.022 177.584 -0.032 0.000 1.197 2158 A CA 2.691 54.745 52.037 0.028 0.000 0.637 2158 A CB -1.452 17.617 19.000 0.114 0.000 0.827 2158 A HN 0.653 nan 8.150 nan 0.000 0.450 2159 A N -2.260 120.466 122.820 -0.156 0.000 1.972 2159 A HA -0.178 4.147 4.320 0.008 0.000 0.219 2159 A C 2.140 179.440 177.584 -0.472 0.000 1.169 2159 A CA 1.656 53.461 52.037 -0.388 0.000 0.635 2159 A CB -0.777 17.780 19.000 -0.739 0.000 0.810 2159 A HN 0.701 nan 8.150 nan 0.000 0.446 2160 H N -1.006 117.829 119.070 -0.392 0.000 2.384 2160 H HA 0.045 4.606 4.556 0.008 0.000 0.300 2160 H C 1.136 176.465 175.328 0.003 0.000 1.057 2160 H CA 1.415 57.384 56.048 -0.132 0.000 1.370 2160 H CB 0.341 29.963 29.762 -0.234 0.000 1.417 2160 H HN 0.400 nan 8.280 nan 0.000 0.527 2161 E N 0.410 120.668 120.200 0.097 0.000 2.481 2161 E HA -0.024 4.331 4.350 0.008 0.000 0.198 2161 E C 0.046 176.686 176.600 0.067 0.000 1.027 2161 E CA -0.163 56.285 56.400 0.080 0.000 0.900 2161 E CB -0.133 29.598 29.700 0.051 0.000 0.993 2161 E HN 0.445 nan 8.360 nan 0.000 0.482 2162 N N 0.540 119.278 118.700 0.062 0.000 2.738 2162 N HA -0.174 4.571 4.740 0.008 0.000 0.249 2162 N C -0.731 174.821 175.510 0.071 0.000 1.047 2162 N CA 0.340 53.432 53.050 0.070 0.000 0.707 2162 N CB -0.838 37.693 38.487 0.073 0.000 0.937 2162 N HN -0.006 nan 8.380 nan 0.000 0.545 2163 V N -2.286 117.670 119.914 0.071 0.000 2.735 2163 V HA 0.667 4.792 4.120 0.008 0.000 0.310 2163 V C 0.616 176.778 176.094 0.113 0.000 1.061 2163 V CA -0.960 61.387 62.300 0.079 0.000 0.913 2163 V CB 1.965 33.819 31.823 0.051 0.000 1.005 2163 V HN -0.081 nan 8.190 nan 0.000 0.428 2164 V N 4.404 124.401 119.914 0.137 0.000 2.470 2164 V HA 0.287 4.412 4.120 0.008 0.000 0.276 2164 V C 0.283 176.496 176.094 0.199 0.000 1.040 2164 V CA 0.043 62.453 62.300 0.183 0.000 1.008 2164 V CB 1.186 33.119 31.823 0.183 0.000 0.990 2164 V HN 0.743 nan 8.190 nan 0.000 0.477 2165 V N 6.296 126.360 119.914 0.250 0.000 2.472 2165 V HA 0.536 4.661 4.120 0.008 0.000 0.290 2165 V C -0.097 176.212 176.094 0.358 0.000 1.037 2165 V CA -0.478 61.996 62.300 0.290 0.000 0.908 2165 V CB 1.895 33.859 31.823 0.235 0.000 0.985 2165 V HN 0.572 nan 8.190 nan 0.000 0.454 2166 V N 3.466 123.589 119.914 0.348 0.000 2.638 2166 V HA 0.588 4.713 4.120 0.008 0.000 0.306 2166 V C -0.025 176.268 176.094 0.332 0.000 1.052 2166 V CA -0.502 61.977 62.300 0.299 0.000 0.885 2166 V CB 2.522 34.457 31.823 0.185 0.000 0.999 2166 V HN 1.017 nan 8.190 nan 0.000 0.424 2167 T N 3.222 117.970 114.554 0.322 0.000 2.779 2167 T HA 0.796 5.151 4.350 0.008 0.000 0.280 2167 T C -0.498 174.336 174.700 0.224 0.000 0.987 2167 T CA -0.509 61.788 62.100 0.327 0.000 0.966 2167 T CB 1.291 70.368 68.868 0.348 0.000 0.933 2167 T HN 0.707 nan 8.240 nan 0.000 0.442 2168 I N 0.412 121.094 120.570 0.187 0.000 2.707 2168 I HA 0.667 4.841 4.170 0.008 0.000 0.309 2168 I C -0.683 175.601 176.117 0.278 0.000 1.001 2168 I CA -1.153 60.236 61.300 0.149 0.000 1.129 2168 I CB 1.962 39.958 38.000 -0.008 0.000 1.308 2168 I HN 0.587 nan 8.210 nan 0.000 0.466 2169 Q N 3.185 123.181 119.800 0.327 0.000 2.377 2169 Q HA 0.527 4.872 4.340 0.008 0.000 0.271 2169 Q C -1.883 174.367 176.000 0.418 0.000 1.077 2169 Q CA -0.799 55.183 55.803 0.298 0.000 0.820 2169 Q CB 2.693 31.526 28.738 0.159 0.000 1.347 2169 Q HN 0.717 nan 8.270 nan 0.000 0.444 2170 Y N -2.035 118.418 120.300 0.255 0.000 2.553 2170 Y HA 0.557 5.111 4.550 0.007 0.000 0.347 2170 Y C -0.661 175.315 175.900 0.127 0.000 1.019 2170 Y CA -1.498 56.715 58.100 0.188 0.000 1.032 2170 Y CB 0.843 39.377 38.460 0.124 0.000 1.284 2170 Y HN 0.402 nan 8.280 nan 0.000 0.466 2171 R N 2.377 122.959 120.500 0.136 0.000 2.537 2171 R HA 0.253 4.597 4.340 0.008 0.000 0.281 2171 R C -0.673 175.697 176.300 0.116 0.000 0.988 2171 R CA 0.225 56.358 56.100 0.055 0.000 1.077 2171 R CB 0.160 30.505 30.300 0.074 0.000 0.932 2171 R HN 0.691 nan 8.270 nan 0.000 0.409 2172 L N 1.652 122.956 121.223 0.134 0.000 2.376 2172 L HA 0.435 4.780 4.340 0.008 0.000 0.267 2172 L C 1.621 178.779 176.870 0.481 0.000 1.035 2172 L CA -0.410 54.614 54.840 0.307 0.000 0.800 2172 L CB 0.826 42.966 42.059 0.135 0.000 1.290 2172 L HN 0.872 nan 8.230 nan 0.000 0.462 2173 G N 0.418 109.507 108.800 0.482 0.000 2.648 2173 G HA2 -0.356 3.609 3.960 0.008 0.000 0.357 2173 G HA3 -0.356 3.609 3.960 0.008 0.000 0.357 2173 G C 0.968 176.176 174.900 0.513 0.000 1.342 2173 G CA 0.871 46.222 45.100 0.418 0.000 0.978 2173 G HN 0.670 nan 8.290 nan 0.000 0.532 2174 I N -0.661 120.155 120.570 0.411 0.000 2.087 2174 I HA -0.249 3.926 4.170 0.008 0.000 0.240 2174 I C 2.839 179.248 176.117 0.488 0.000 1.054 2174 I CA 2.660 64.135 61.300 0.291 0.000 1.311 2174 I CB -0.427 37.480 38.000 -0.155 0.000 1.024 2174 I HN 0.578 nan 8.210 nan 0.000 0.402 2175 W N 0.676 122.157 121.300 0.302 0.000 2.392 2175 W HA -0.090 4.570 4.660 0.000 0.000 0.279 2175 W C 2.381 179.049 176.519 0.249 0.000 1.225 2175 W CA 0.947 58.371 57.345 0.133 0.000 1.233 2175 W CB -0.794 28.630 29.460 -0.060 0.000 1.122 2175 W HN 0.273 nan 8.180 nan 0.000 0.561 2176 G N -1.433 107.667 108.800 0.499 0.000 2.545 2176 G HA2 -0.036 3.928 3.960 0.008 0.000 0.212 2176 G HA3 -0.036 3.928 3.960 0.008 0.000 0.212 2176 G C 0.757 175.408 174.900 -0.416 0.000 1.144 2176 G CA 0.315 45.444 45.100 0.049 0.000 0.813 2176 G HN 0.182 nan 8.290 nan 0.000 0.531 2177 F N -0.960 119.218 119.950 0.380 0.000 2.880 2177 F HA 0.413 4.947 4.527 0.012 0.000 0.328 2177 F C 0.210 176.093 175.800 0.139 0.000 1.146 2177 F CA -1.576 56.500 58.000 0.126 0.000 1.135 2177 F CB 0.208 39.207 39.000 -0.002 0.000 1.151 2177 F HN -0.014 nan 8.300 nan 0.000 0.523 2178 F N 1.984 122.137 119.950 0.338 0.000 2.602 2178 F HA 0.357 4.888 4.527 0.007 0.000 0.367 2178 F C 0.502 176.361 175.800 0.100 0.000 1.126 2178 F CA 0.546 58.631 58.000 0.141 0.000 1.321 2178 F CB 0.569 39.531 39.000 -0.064 0.000 1.094 2178 F HN -0.058 nan 8.300 nan 0.000 0.594 2179 S N 2.849 118.017 115.700 -0.886 0.000 2.540 2179 S HA 0.350 4.825 4.470 0.008 0.000 0.275 2179 S C 0.187 174.311 174.600 -0.792 0.000 1.123 2179 S CA -0.081 57.740 58.200 -0.632 0.000 0.907 2179 S CB 1.473 64.474 63.200 -0.332 0.000 1.081 2179 S HN 0.842 nan 8.310 nan 0.000 0.476 2180 T N 0.394 114.678 114.554 -0.450 0.000 3.069 2180 T HA 0.420 4.775 4.350 0.008 0.000 0.252 2180 T C 1.437 176.057 174.700 -0.134 0.000 1.053 2180 T CA 0.655 62.597 62.100 -0.263 0.000 0.964 2180 T CB 0.036 68.871 68.868 -0.056 0.000 1.005 2180 T HN 1.818 nan 8.240 nan 0.000 0.532 2181 G N 2.092 110.804 108.800 -0.146 0.000 2.184 2181 G HA2 -0.198 3.767 3.960 0.008 0.000 0.264 2181 G HA3 -0.198 3.767 3.960 0.008 0.000 0.264 2181 G C -0.289 174.576 174.900 -0.059 0.000 0.975 2181 G CA 0.423 45.465 45.100 -0.096 0.000 0.642 2181 G HN 0.967 nan 8.290 nan 0.000 0.536 2182 D N -2.256 118.121 120.400 -0.039 0.000 2.752 2182 D HA 0.483 5.128 4.640 0.008 0.000 0.313 2182 D C 1.240 177.508 176.300 -0.053 0.000 1.225 2182 D CA -0.056 53.922 54.000 -0.037 0.000 0.976 2182 D CB -0.151 40.648 40.800 -0.002 0.000 1.443 2182 D HN 0.067 nan 8.370 nan 0.000 0.515 2183 E N -0.069 120.044 120.200 -0.145 0.000 2.333 2183 E HA -0.279 4.076 4.350 0.008 0.000 0.200 2183 E C 0.750 177.274 176.600 -0.128 0.000 1.010 2183 E CA 1.389 57.694 56.400 -0.158 0.000 0.841 2183 E CB -0.618 28.951 29.700 -0.219 0.000 0.757 2183 E HN 0.571 nan 8.360 nan 0.000 0.508 2184 H N 0.189 119.314 119.070 0.090 0.000 2.470 2184 H HA 0.158 4.717 4.556 0.004 0.000 0.289 2184 H C 0.455 175.886 175.328 0.172 0.000 1.033 2184 H CA 1.179 57.293 56.048 0.111 0.000 1.331 2184 H CB 0.440 30.253 29.762 0.085 0.000 1.414 2184 H HN 0.117 nan 8.280 nan 0.000 0.545 2185 S N -0.145 115.724 115.700 0.281 0.000 2.777 2185 S HA 0.216 4.691 4.470 0.008 0.000 0.140 2185 S C 0.841 175.588 174.600 0.246 0.000 1.233 2185 S CA -0.577 57.869 58.200 0.410 0.000 1.157 2185 S CB 0.270 63.633 63.200 0.273 0.000 1.600 2185 S HN 0.161 nan 8.310 nan 0.000 0.432 2186 R N 1.485 122.111 120.500 0.210 0.000 2.080 2186 R HA 0.167 4.512 4.340 0.008 0.000 0.236 2186 R C 1.391 177.460 176.300 -0.384 0.000 1.137 2186 R CA 1.355 57.393 56.100 -0.103 0.000 0.943 2186 R CB -0.277 29.960 30.300 -0.104 0.000 0.846 2186 R HN 0.813 nan 8.270 nan 0.000 0.431 2187 G N -0.921 107.269 108.800 -1.017 0.000 2.498 2187 G HA2 -0.185 3.780 3.960 0.008 0.000 0.651 2187 G HA3 -0.185 3.780 3.960 0.008 0.000 0.651 2187 G C -0.647 173.473 174.900 -1.300 0.000 1.284 2187 G CA -0.382 43.978 45.100 -1.233 0.000 0.950 2187 G HN 0.274 nan 8.290 nan 0.000 0.511 2188 N N -1.305 116.953 118.700 -0.737 0.000 2.782 2188 N HA -0.199 4.545 4.740 0.008 0.000 0.251 2188 N C 1.284 176.544 175.510 -0.417 0.000 1.101 2188 N CA 1.940 54.805 53.050 -0.308 0.000 0.764 2188 N CB -1.538 36.913 38.487 -0.059 0.000 1.122 2188 N HN 0.728 nan 8.380 nan 0.000 0.561 2189 W N 0.658 121.847 121.300 -0.185 0.000 2.321 2189 W HA -0.140 4.537 4.660 0.029 0.000 0.306 2189 W C 2.495 178.883 176.519 -0.217 0.000 1.217 2189 W CA 0.868 58.130 57.345 -0.139 0.000 1.257 2189 W CB -0.760 28.654 29.460 -0.076 0.000 1.145 2189 W HN 0.287 nan 8.180 nan 0.000 0.509 2190 G N -0.155 108.380 108.800 -0.442 0.000 2.440 2190 G HA2 -0.271 3.694 3.960 0.008 0.000 0.218 2190 G HA3 -0.271 3.694 3.960 0.008 0.000 0.218 2190 G C 1.238 176.080 174.900 -0.096 0.000 1.154 2190 G CA 1.361 46.278 45.100 -0.304 0.000 0.767 2190 G HN 0.313 nan 8.290 nan 0.000 0.552 2191 H N 0.218 119.262 119.070 -0.044 0.000 2.428 2191 H HA 0.110 4.671 4.556 0.008 0.000 0.296 2191 H C 2.710 178.027 175.328 -0.018 0.000 1.062 2191 H CA 0.738 56.761 56.048 -0.041 0.000 1.350 2191 H CB -0.168 29.579 29.762 -0.025 0.000 1.403 2191 H HN 0.285 nan 8.280 nan 0.000 0.533 2192 L N 0.466 121.774 121.223 0.142 0.000 2.201 2192 L HA -0.141 4.204 4.340 0.008 0.000 0.212 2192 L C 1.981 178.954 176.870 0.172 0.000 1.105 2192 L CA 0.804 55.731 54.840 0.145 0.000 0.775 2192 L CB -0.154 42.016 42.059 0.184 0.000 0.913 2192 L HN 0.112 nan 8.230 nan 0.000 0.440 2193 D N -0.121 120.402 120.400 0.205 0.000 2.097 2193 D HA -0.171 4.474 4.640 0.008 0.000 0.197 2193 D C 2.249 178.688 176.300 0.232 0.000 0.984 2193 D CA 1.028 55.224 54.000 0.326 0.000 0.826 2193 D CB -0.217 40.809 40.800 0.377 0.000 0.973 2193 D HN 0.408 nan 8.370 nan 0.000 0.460 2194 Q N 0.567 120.429 119.800 0.102 0.000 2.045 2194 Q HA -0.137 4.208 4.340 0.008 0.000 0.206 2194 Q C 2.490 178.455 176.000 -0.059 0.000 0.991 2194 Q CA 1.291 57.066 55.803 -0.046 0.000 0.851 2194 Q CB -0.316 28.349 28.738 -0.121 0.000 0.911 2194 Q HN 0.162 nan 8.270 nan 0.000 0.418 2195 V N 1.357 121.273 119.914 0.004 0.000 2.287 2195 V HA -0.329 3.796 4.120 0.008 0.000 0.248 2195 V C 2.408 178.531 176.094 0.048 0.000 1.053 2195 V CA 1.892 64.204 62.300 0.019 0.000 1.027 2195 V CB -1.284 30.565 31.823 0.044 0.000 0.646 2195 V HN 0.456 nan 8.190 nan 0.000 0.447 2196 A N 0.188 123.076 122.820 0.114 0.000 1.892 2196 A HA -0.245 4.080 4.320 0.008 0.000 0.218 2196 A C 2.452 180.103 177.584 0.110 0.000 1.188 2196 A CA 2.733 54.891 52.037 0.203 0.000 0.631 2196 A CB -1.003 18.223 19.000 0.377 0.000 0.822 2196 A HN 0.636 nan 8.150 nan 0.000 0.447 2197 A N -0.487 122.166 122.820 -0.280 0.000 1.877 2197 A HA -0.062 4.263 4.320 0.008 0.000 0.216 2197 A C 2.160 179.654 177.584 -0.150 0.000 1.186 2197 A CA 1.530 53.137 52.037 -0.716 0.000 0.620 2197 A CB -0.661 17.615 19.000 -1.207 0.000 0.822 2197 A HN 0.491 nan 8.150 nan 0.000 0.443 2198 L N -1.334 119.839 121.223 -0.084 0.000 2.187 2198 L HA -0.181 4.164 4.340 0.008 0.000 0.213 2198 L C 2.748 179.665 176.870 0.078 0.000 1.100 2198 L CA 1.670 56.519 54.840 0.016 0.000 0.765 2198 L CB -0.346 41.718 42.059 0.009 0.000 0.904 2198 L HN 0.444 nan 8.230 nan 0.000 0.437 2199 R N -0.685 119.873 120.500 0.096 0.000 2.119 2199 R HA -0.188 4.157 4.340 0.008 0.000 0.222 2199 R C 2.107 178.494 176.300 0.145 0.000 1.088 2199 R CA 1.007 57.170 56.100 0.105 0.000 0.984 2199 R CB -0.439 29.928 30.300 0.111 0.000 0.884 2199 R HN 0.364 nan 8.270 nan 0.000 0.447 2200 W N -0.153 121.163 121.300 0.026 0.000 2.358 2200 W HA -0.170 4.494 4.660 0.006 0.000 0.303 2200 W C 1.482 178.016 176.519 0.026 0.000 1.208 2200 W CA 1.470 58.851 57.345 0.060 0.000 1.274 2200 W CB -0.152 29.368 29.460 0.100 0.000 1.138 2200 W HN -0.112 nan 8.180 nan 0.000 0.515 2201 V N 0.992 121.123 119.914 0.360 0.000 2.332 2201 V HA -0.351 3.774 4.120 0.008 0.000 0.248 2201 V C 2.505 178.611 176.094 0.019 0.000 1.055 2201 V CA 2.048 64.481 62.300 0.222 0.000 1.038 2201 V CB -1.015 30.931 31.823 0.204 0.000 0.651 2201 V HN 0.218 nan 8.190 nan 0.000 0.450 2202 Q N -0.273 119.538 119.800 0.018 0.000 2.170 2202 Q HA -0.172 4.173 4.340 0.008 0.000 0.203 2202 Q C 1.830 177.778 176.000 -0.086 0.000 0.976 2202 Q CA 1.438 57.234 55.803 -0.011 0.000 0.858 2202 Q CB -0.358 28.384 28.738 0.007 0.000 0.907 2202 Q HN 0.684 nan 8.270 nan 0.000 0.433 2203 D N -0.847 119.447 120.400 -0.176 0.000 2.346 2203 D HA 0.038 4.683 4.640 0.008 0.000 0.206 2203 D C 1.005 177.086 176.300 -0.366 0.000 1.001 2203 D CA 0.280 54.131 54.000 -0.247 0.000 0.871 2203 D CB 0.289 40.934 40.800 -0.257 0.000 0.943 2203 D HN 0.271 nan 8.370 nan 0.000 0.518 2204 N N 0.089 118.472 118.700 -0.530 0.000 2.419 2204 N HA 0.007 4.752 4.740 0.008 0.000 0.216 2204 N C 1.697 177.097 175.510 -0.185 0.000 1.118 2204 N CA -0.216 52.498 53.050 -0.560 0.000 0.850 2204 N CB 0.788 38.450 38.487 -1.374 0.000 1.292 2204 N HN -0.046 nan 8.380 nan 0.000 0.467 2205 I N 2.980 123.478 120.570 -0.121 0.000 2.381 2205 I HA -0.252 3.923 4.170 0.008 0.000 0.255 2205 I C 2.195 178.420 176.117 0.180 0.000 1.140 2205 I CA 0.722 62.093 61.300 0.118 0.000 1.404 2205 I CB -0.394 37.665 38.000 0.098 0.000 1.075 2205 I HN 0.115 nan 8.210 nan 0.000 0.433 2206 A N -1.161 121.696 122.820 0.062 0.000 2.032 2206 A HA -0.208 4.117 4.320 0.008 0.000 0.221 2206 A C 2.328 179.933 177.584 0.035 0.000 1.165 2206 A CA 2.112 54.172 52.037 0.039 0.000 0.645 2206 A CB -0.840 18.152 19.000 -0.013 0.000 0.807 2206 A HN 0.477 nan 8.150 nan 0.000 0.453 2207 S N -1.538 114.174 115.700 0.020 0.000 2.593 2207 S HA 0.217 4.692 4.470 0.008 0.000 0.217 2207 S C 0.373 174.789 174.600 -0.308 0.000 0.966 2207 S CA 0.197 58.305 58.200 -0.154 0.000 0.914 2207 S CB -0.296 62.731 63.200 -0.288 0.000 0.776 2207 S HN 0.558 nan 8.310 nan 0.000 0.523 2208 F N 0.376 120.311 119.950 -0.024 0.000 2.706 2208 F HA 0.397 4.928 4.527 0.007 0.000 0.313 2208 F C 1.586 177.424 175.800 0.064 0.000 1.096 2208 F CA -0.131 57.869 58.000 0.000 0.000 1.219 2208 F CB 0.565 39.544 39.000 -0.034 0.000 1.051 2208 F HN 0.219 nan 8.300 nan 0.000 0.568 2209 G N 0.321 109.234 108.800 0.188 0.000 2.148 2209 G HA2 -0.096 3.869 3.960 0.008 0.000 0.203 2209 G HA3 -0.096 3.869 3.960 0.008 0.000 0.203 2209 G C 0.472 175.456 174.900 0.141 0.000 0.993 2209 G CA -0.355 44.834 45.100 0.148 0.000 0.661 2209 G HN 0.696 nan 8.290 nan 0.000 0.518 2210 G N -0.383 108.510 108.800 0.157 0.000 2.412 2210 G HA2 0.517 4.481 3.960 0.008 0.000 0.318 2210 G HA3 0.517 4.481 3.960 0.008 0.000 0.318 2210 G C -0.390 174.563 174.900 0.088 0.000 1.146 2210 G CA -0.119 45.058 45.100 0.128 0.000 0.882 2210 G HN 0.588 nan 8.290 nan 0.000 0.501 2211 N N 1.678 120.422 118.700 0.073 0.000 2.546 2211 N HA 0.302 5.046 4.740 0.008 0.000 0.238 2211 N C -1.195 174.352 175.510 0.062 0.000 0.984 2211 N CA -2.515 50.563 53.050 0.048 0.000 0.935 2211 N CB 2.028 40.530 38.487 0.025 0.000 1.122 2211 N HN 0.122 nan 8.380 nan 0.000 0.510 2212 P HA -0.051 nan 4.420 nan 0.000 0.229 2212 P C 0.813 178.200 177.300 0.144 0.000 1.150 2212 P CA 0.726 63.880 63.100 0.090 0.000 0.765 2212 P CB 0.049 31.778 31.700 0.049 0.000 0.783 2213 G N -1.029 107.810 108.800 0.066 0.000 3.141 2213 G HA2 0.037 4.002 3.960 0.008 0.000 0.218 2213 G HA3 0.037 4.002 3.960 0.008 0.000 0.218 2213 G C 0.597 175.325 174.900 -0.287 0.000 1.170 2213 G CA 0.081 45.157 45.100 -0.040 0.000 0.769 2213 G HN 0.323 nan 8.290 nan 0.000 0.546 2214 S N 0.132 115.841 115.700 0.015 0.000 2.539 2214 S HA 0.375 4.850 4.470 0.008 0.000 0.185 2214 S C -0.485 174.250 174.600 0.224 0.000 1.181 2214 S CA -0.376 57.855 58.200 0.053 0.000 1.216 2214 S CB 0.155 63.338 63.200 -0.028 0.000 1.476 2214 S HN -0.044 nan 8.310 nan 0.000 0.395 2215 V N 2.533 122.696 119.914 0.416 0.000 2.465 2215 V HA 0.501 4.625 4.120 0.008 0.000 0.279 2215 V C 0.355 176.587 176.094 0.230 0.000 1.045 2215 V CA -0.148 62.300 62.300 0.247 0.000 0.938 2215 V CB 1.613 33.554 31.823 0.196 0.000 0.986 2215 V HN 0.552 nan 8.190 nan 0.000 0.467 2216 T N 6.145 120.804 114.554 0.175 0.000 2.786 2216 T HA 0.587 4.942 4.350 0.008 0.000 0.283 2216 T C -0.205 174.615 174.700 0.200 0.000 0.992 2216 T CA -0.186 62.010 62.100 0.161 0.000 0.954 2216 T CB 0.848 69.755 68.868 0.066 0.000 0.934 2216 T HN 0.591 nan 8.240 nan 0.000 0.440 2217 I N 2.078 122.734 120.570 0.143 0.000 2.312 2217 I HA 0.756 4.931 4.170 0.008 0.000 0.290 2217 I C -0.736 175.518 176.117 0.230 0.000 1.008 2217 I CA -0.955 60.400 61.300 0.093 0.000 1.226 2217 I CB 0.200 38.022 38.000 -0.296 0.000 1.371 2217 I HN 0.408 nan 8.210 nan 0.000 0.468 2218 F N 3.802 123.783 119.950 0.052 0.000 2.588 2218 F HA 1.049 5.581 4.527 0.008 0.000 0.314 2218 F C -0.150 175.625 175.800 -0.041 0.000 1.069 2218 F CA -1.656 56.412 58.000 0.113 0.000 0.931 2218 F CB 1.407 40.603 39.000 0.327 0.000 1.260 2218 F HN 0.729 nan 8.300 nan 0.000 0.465 2219 G N 1.258 109.878 108.800 -0.301 0.000 2.559 2219 G HA2 0.542 4.507 3.960 0.008 0.000 0.291 2219 G HA3 0.542 4.507 3.960 0.008 0.000 0.291 2219 G C -2.299 172.301 174.900 -0.501 0.000 1.424 2219 G CA -0.775 43.713 45.100 -1.019 0.000 0.786 2219 G HN 1.093 nan 8.290 nan 0.000 0.485 2220 E N -0.979 118.892 120.200 -0.548 0.000 2.369 2220 E HA 0.732 5.087 4.350 0.008 0.000 0.270 2220 E C 0.658 177.231 176.600 -0.044 0.000 0.909 2220 E CA 0.177 56.500 56.400 -0.129 0.000 0.775 2220 E CB 1.887 31.600 29.700 0.022 0.000 1.270 2220 E HN 1.562 nan 8.360 nan 0.000 0.445 2221 S N 1.638 117.398 115.700 0.100 0.000 4.139 2221 S HA -0.406 4.069 4.470 0.008 0.000 0.603 2221 S C 1.552 176.225 174.600 0.122 0.000 1.897 2221 S CA 2.544 60.900 58.200 0.260 0.000 4.241 2221 S CB -1.840 61.591 63.200 0.386 0.000 0.221 2221 S HN 1.594 nan 8.310 nan 0.000 0.488 2222 A N 1.056 123.917 122.820 0.069 0.000 2.067 2222 A HA 0.291 4.615 4.320 0.008 0.000 0.219 2222 A C 2.383 179.895 177.584 -0.121 0.000 1.158 2222 A CA 2.015 54.037 52.037 -0.026 0.000 0.661 2222 A CB -1.367 17.613 19.000 -0.034 0.000 0.801 2222 A HN 1.536 nan 8.150 nan 0.000 0.452 2223 G N -0.719 107.970 108.800 -0.184 0.000 2.430 2223 G HA2 0.152 4.117 3.960 0.008 0.000 0.216 2223 G HA3 0.152 4.117 3.960 0.008 0.000 0.216 2223 G C 1.391 176.112 174.900 -0.300 0.000 1.146 2223 G CA 1.045 45.928 45.100 -0.362 0.000 0.793 2223 G HN 0.601 nan 8.290 nan 0.000 0.537 2224 G N 0.349 109.048 108.800 -0.168 0.000 2.394 2224 G HA2 -0.109 3.856 3.960 0.008 0.000 0.215 2224 G HA3 -0.109 3.856 3.960 0.008 0.000 0.215 2224 G C 1.513 176.384 174.900 -0.048 0.000 1.165 2224 G CA 1.008 46.063 45.100 -0.073 0.000 0.784 2224 G HN 0.405 nan 8.290 nan 0.000 0.535 2225 E N 1.050 121.227 120.200 -0.038 0.000 2.077 2225 E HA -0.124 4.231 4.350 0.008 0.000 0.193 2225 E C 2.561 179.109 176.600 -0.086 0.000 0.989 2225 E CA 1.290 57.664 56.400 -0.043 0.000 0.800 2225 E CB -0.251 29.424 29.700 -0.041 0.000 0.746 2225 E HN 0.326 nan 8.360 nan 0.000 0.452 2226 S N 0.227 115.864 115.700 -0.105 0.000 2.359 2226 S HA -0.141 4.334 4.470 0.008 0.000 0.224 2226 S C 2.144 176.613 174.600 -0.218 0.000 1.035 2226 S CA 1.261 59.392 58.200 -0.115 0.000 1.018 2226 S CB -0.291 62.788 63.200 -0.201 0.000 0.876 2226 S HN 0.158 nan 8.310 nan 0.000 0.448 2227 V N 1.279 121.052 119.914 -0.235 0.000 2.332 2227 V HA -0.174 3.951 4.120 0.008 0.000 0.248 2227 V C 2.562 178.480 176.094 -0.294 0.000 1.055 2227 V CA 2.022 64.144 62.300 -0.297 0.000 1.038 2227 V CB -0.851 30.839 31.823 -0.222 0.000 0.651 2227 V HN 0.556 nan 8.190 nan 0.000 0.450 2228 S N -0.668 114.943 115.700 -0.147 0.000 2.399 2228 S HA -0.142 4.333 4.470 0.008 0.000 0.231 2228 S C 1.908 176.419 174.600 -0.149 0.000 1.022 2228 S CA 1.659 59.820 58.200 -0.065 0.000 0.983 2228 S CB -0.116 63.118 63.200 0.056 0.000 0.803 2228 S HN 0.353 nan 8.310 nan 0.000 0.480 2229 V N 1.794 121.585 119.914 -0.206 0.000 2.453 2229 V HA -0.041 4.083 4.120 0.008 0.000 0.247 2229 V C 2.298 178.227 176.094 -0.276 0.000 1.048 2229 V CA 1.421 63.557 62.300 -0.273 0.000 1.049 2229 V CB -0.563 31.004 31.823 -0.427 0.000 0.672 2229 V HN 0.461 nan 8.190 nan 0.000 0.457 2230 L N -0.431 120.622 121.223 -0.283 0.000 2.093 2230 L HA -0.109 4.235 4.340 0.008 0.000 0.208 2230 L C 2.426 179.238 176.870 -0.096 0.000 1.085 2230 L CA 0.921 55.620 54.840 -0.234 0.000 0.755 2230 L CB -0.592 41.243 42.059 -0.372 0.000 0.904 2230 L HN 0.195 nan 8.230 nan 0.000 0.435 2231 V N 0.077 119.908 119.914 -0.140 0.000 2.568 2231 V HA -0.258 3.867 4.120 0.008 0.000 0.253 2231 V C 2.135 178.142 176.094 -0.145 0.000 1.072 2231 V CA 1.510 63.830 62.300 0.033 0.000 1.084 2231 V CB -0.300 31.407 31.823 -0.193 0.000 0.676 2231 V HN 0.393 nan 8.190 nan 0.000 0.469 2232 L N -1.087 119.975 121.223 -0.268 0.000 2.463 2232 L HA 0.179 4.523 4.340 0.008 0.000 0.219 2232 L C 1.353 178.026 176.870 -0.329 0.000 1.088 2232 L CA 0.205 54.768 54.840 -0.462 0.000 0.849 2232 L CB 0.111 41.959 42.059 -0.352 0.000 1.012 2232 L HN 0.228 nan 8.230 nan 0.000 0.468 2233 S N 1.289 116.866 115.700 -0.204 0.000 2.505 2233 S HA 0.134 4.609 4.470 0.008 0.000 0.276 2233 S C -1.111 173.435 174.600 -0.090 0.000 1.274 2233 S CA -1.408 56.706 58.200 -0.144 0.000 1.053 2233 S CB 0.794 63.912 63.200 -0.136 0.000 0.919 2233 S HN 0.007 nan 8.310 nan 0.000 0.490 2234 P HA -0.152 nan 4.420 nan 0.000 0.216 2234 P C 1.544 178.823 177.300 -0.035 0.000 1.150 2234 P CA 1.107 64.183 63.100 -0.041 0.000 0.837 2234 P CB -0.001 31.683 31.700 -0.027 0.000 0.786 2235 L N -0.822 120.383 121.223 -0.030 0.000 2.263 2235 L HA -0.147 4.198 4.340 0.008 0.000 0.216 2235 L C 2.407 179.275 176.870 -0.004 0.000 1.111 2235 L CA 1.481 56.313 54.840 -0.014 0.000 0.773 2235 L CB -0.742 41.312 42.059 -0.008 0.000 0.906 2235 L HN 0.008 nan 8.230 nan 0.000 0.439 2236 A N -1.848 120.977 122.820 0.008 0.000 2.348 2236 A HA 0.031 4.356 4.320 0.008 0.000 0.224 2236 A C 1.788 179.358 177.584 -0.024 0.000 1.227 2236 A CA -0.176 51.904 52.037 0.072 0.000 0.885 2236 A CB 0.040 19.163 19.000 0.205 0.000 0.933 2236 A HN 0.036 nan 8.150 nan 0.000 0.506 2237 K N 1.521 121.854 120.400 -0.112 0.000 2.063 2237 K HA -0.226 4.099 4.320 0.008 0.000 0.225 2237 K C 0.052 176.318 176.600 -0.558 0.000 0.954 2237 K CA 2.016 58.135 56.287 -0.281 0.000 0.988 2237 K CB -0.601 31.777 32.500 -0.202 0.000 0.842 2237 K HN 0.589 nan 8.250 nan 0.000 0.475 2238 N N 0.440 118.898 118.700 -0.403 0.000 2.535 2238 N HA 0.135 4.879 4.740 0.008 0.000 0.294 2238 N C 0.469 175.808 175.510 -0.285 0.000 1.408 2238 N CA 0.022 52.817 53.050 -0.425 0.000 0.927 2238 N CB 0.613 38.944 38.487 -0.260 0.000 1.276 2238 N HN 0.154 nan 8.380 nan 0.000 0.505 2239 L N -0.185 120.892 121.223 -0.242 0.000 2.693 2239 L HA 0.327 4.672 4.340 0.008 0.000 0.235 2239 L C -0.429 176.445 176.870 0.007 0.000 1.127 2239 L CA 0.134 54.943 54.840 -0.052 0.000 0.914 2239 L CB -0.092 42.017 42.059 0.083 0.000 1.193 2239 L HN 0.069 nan 8.230 nan 0.000 0.502 2240 F N -4.108 115.597 119.950 -0.409 0.000 2.713 2240 F HA 0.460 4.992 4.527 0.007 0.000 0.311 2240 F C 0.254 175.671 175.800 -0.637 0.000 1.141 2240 F CA -0.988 56.751 58.000 -0.436 0.000 0.939 2240 F CB 0.818 39.713 39.000 -0.175 0.000 1.325 2240 F HN -0.116 nan 8.300 nan 0.000 0.453 2241 H N -0.696 118.440 119.070 0.110 0.000 3.360 2241 H HA 0.433 4.994 4.556 0.008 0.000 0.262 2241 H C -0.373 174.984 175.328 0.048 0.000 1.149 2241 H CA -0.207 55.846 56.048 0.007 0.000 1.181 2241 H CB 0.857 30.611 29.762 -0.014 0.000 1.564 2241 H HN 0.429 nan 8.280 nan 0.000 0.565 2242 R N 0.655 121.298 120.500 0.239 0.000 2.774 2242 R HA 0.729 5.074 4.340 0.008 0.000 0.272 2242 R C -1.265 175.218 176.300 0.305 0.000 1.000 2242 R CA -0.499 55.685 56.100 0.141 0.000 0.906 2242 R CB 2.379 32.616 30.300 -0.104 0.000 1.227 2242 R HN 0.190 nan 8.270 nan 0.000 0.468 2243 A N 2.026 125.064 122.820 0.364 0.000 2.488 2243 A HA 0.755 5.080 4.320 0.008 0.000 0.298 2243 A C -1.350 176.401 177.584 0.279 0.000 1.044 2243 A CA -0.558 51.579 52.037 0.167 0.000 0.693 2243 A CB 1.067 19.952 19.000 -0.191 0.000 1.272 2243 A HN 0.561 nan 8.150 nan 0.000 0.402 2244 I N 1.556 122.253 120.570 0.212 0.000 2.478 2244 I HA 0.366 4.541 4.170 0.008 0.000 0.287 2244 I C -0.315 175.958 176.117 0.260 0.000 1.042 2244 I CA -0.348 61.080 61.300 0.212 0.000 1.067 2244 I CB 2.404 40.493 38.000 0.149 0.000 1.233 2244 I HN 0.511 nan 8.210 nan 0.000 0.431 2245 S N 5.162 121.026 115.700 0.273 0.000 2.530 2245 S HA 0.371 4.846 4.470 0.008 0.000 0.322 2245 S C -0.594 174.093 174.600 0.145 0.000 1.085 2245 S CA -0.680 57.635 58.200 0.192 0.000 1.096 2245 S CB 1.181 64.512 63.200 0.219 0.000 0.988 2245 S HN 0.475 nan 8.310 nan 0.000 0.466 2246 E N 1.750 122.058 120.200 0.179 0.000 2.109 2246 E HA 0.344 4.699 4.350 0.008 0.000 0.278 2246 E C -0.470 176.165 176.600 0.058 0.000 0.954 2246 E CA -0.573 55.947 56.400 0.199 0.000 0.779 2246 E CB 1.054 30.943 29.700 0.315 0.000 1.093 2246 E HN 0.623 nan 8.360 nan 0.000 0.401 2247 S N 2.066 117.762 115.700 -0.007 0.000 3.356 2247 S HA -0.125 4.349 4.470 0.008 0.000 0.376 2247 S C 0.083 174.809 174.600 0.209 0.000 0.924 2247 S CA 0.553 58.720 58.200 -0.056 0.000 1.316 2247 S CB -1.104 61.893 63.200 -0.338 0.000 0.922 2247 S HN 0.980 nan 8.310 nan 0.000 0.553 2248 G N -0.845 108.126 108.800 0.285 0.000 2.158 2248 G HA2 0.489 4.454 3.960 0.008 0.000 0.238 2248 G HA3 0.489 4.454 3.960 0.008 0.000 0.238 2248 G C -0.830 174.137 174.900 0.112 0.000 1.723 2248 G CA 0.021 45.293 45.100 0.286 0.000 0.911 2248 G HN 1.616 nan 8.290 nan 0.000 0.741 2249 V N -0.701 119.245 119.914 0.055 0.000 3.182 2249 V HA 0.932 5.057 4.120 0.008 0.000 0.308 2249 V C 1.324 177.399 176.094 -0.031 0.000 1.240 2249 V CA -0.034 62.276 62.300 0.016 0.000 1.063 2249 V CB 1.172 32.994 31.823 -0.002 0.000 1.076 2249 V HN 2.270 nan 8.190 nan 0.000 0.446 2250 A N -0.157 122.641 122.820 -0.037 0.000 2.178 2250 A HA 0.149 4.474 4.320 0.008 0.000 0.218 2250 A C 1.468 178.997 177.584 -0.091 0.000 1.157 2250 A CA 1.572 53.564 52.037 -0.075 0.000 0.689 2250 A CB -0.779 18.173 19.000 -0.080 0.000 0.787 2250 A HN 0.843 nan 8.150 nan 0.000 0.465 2251 L N -0.537 120.634 121.223 -0.088 0.000 2.628 2251 L HA 0.070 4.414 4.340 0.008 0.000 0.229 2251 L C 0.277 177.050 176.870 -0.162 0.000 1.137 2251 L CA 0.012 54.783 54.840 -0.115 0.000 0.909 2251 L CB -0.064 41.940 42.059 -0.091 0.000 1.137 2251 L HN 0.075 nan 8.230 nan 0.000 0.470 2252 T N 0.432 114.886 114.554 -0.167 0.000 4.104 2252 T HA 0.020 4.375 4.350 0.008 0.000 0.285 2252 T C 1.551 176.112 174.700 -0.232 0.000 1.346 2252 T CA 0.292 62.247 62.100 -0.242 0.000 1.158 2252 T CB 0.236 68.959 68.868 -0.240 0.000 1.290 2252 T HN 0.434 nan 8.240 nan 0.000 0.975 2253 S N 1.413 116.969 115.700 -0.239 0.000 2.422 2253 S HA -0.209 4.266 4.470 0.008 0.000 0.241 2253 S C 2.100 176.571 174.600 -0.215 0.000 1.076 2253 S CA 1.593 59.655 58.200 -0.230 0.000 1.066 2253 S CB -0.861 62.175 63.200 -0.273 0.000 0.890 2253 S HN 0.480 nan 8.310 nan 0.000 0.465 2254 V N 0.909 120.687 119.914 -0.228 0.000 2.688 2254 V HA 0.021 4.146 4.120 0.008 0.000 0.256 2254 V C 1.953 177.945 176.094 -0.170 0.000 1.084 2254 V CA 1.805 63.990 62.300 -0.191 0.000 1.103 2254 V CB -0.469 31.244 31.823 -0.183 0.000 0.688 2254 V HN 0.646 nan 8.190 nan 0.000 0.480 2255 L N -0.643 120.475 121.223 -0.175 0.000 2.585 2255 L HA 0.231 4.576 4.340 0.008 0.000 0.226 2255 L C -0.010 176.756 176.870 -0.173 0.000 1.113 2255 L CA -0.032 54.702 54.840 -0.177 0.000 0.876 2255 L CB 0.766 42.733 42.059 -0.155 0.000 1.072 2255 L HN 0.096 nan 8.230 nan 0.000 0.468 2256 V N 0.840 120.660 119.914 -0.156 0.000 2.443 2256 V HA 0.290 4.415 4.120 0.008 0.000 0.293 2256 V C -0.530 175.487 176.094 -0.128 0.000 1.021 2256 V CA -1.027 61.191 62.300 -0.136 0.000 0.848 2256 V CB 1.607 33.354 31.823 -0.128 0.000 0.998 2256 V HN 0.022 nan 8.190 nan 0.000 0.424 2257 K N 4.314 124.646 120.400 -0.114 0.000 2.285 2257 K HA 0.499 4.824 4.320 0.008 0.000 0.286 2257 K C -0.363 176.184 176.600 -0.088 0.000 1.072 2257 K CA -0.761 55.467 56.287 -0.098 0.000 0.913 2257 K CB 1.086 33.532 32.500 -0.089 0.000 1.067 2257 K HN 0.670 nan 8.250 nan 0.000 0.479 2258 K N 0.262 120.612 120.400 -0.083 0.000 2.208 2258 K HA 0.787 5.111 4.320 0.008 0.000 0.247 2258 K C 0.369 176.937 176.600 -0.054 0.000 0.953 2258 K CA -0.657 55.586 56.287 -0.072 0.000 0.837 2258 K CB 1.198 33.651 32.500 -0.079 0.000 1.131 2258 K HN 0.667 nan 8.250 nan 0.000 0.431 2259 G N 0.556 109.328 108.800 -0.047 0.000 2.757 2259 G HA2 -0.132 3.833 3.960 0.008 0.000 0.638 2259 G HA3 -0.132 3.833 3.960 0.008 0.000 0.638 2259 G C -1.211 173.667 174.900 -0.036 0.000 1.344 2259 G CA -0.448 44.633 45.100 -0.033 0.000 0.855 2259 G HN 0.934 nan 8.290 nan 0.000 0.537 2260 D N -0.284 120.101 120.400 -0.026 0.000 2.583 2260 D HA 0.169 4.814 4.640 0.008 0.000 0.232 2260 D C 1.745 178.023 176.300 -0.037 0.000 1.128 2260 D CA 0.956 54.939 54.000 -0.029 0.000 0.859 2260 D CB 1.060 41.851 40.800 -0.016 0.000 1.169 2260 D HN 1.306 nan 8.370 nan 0.000 0.481 2261 V N 1.508 121.388 119.914 -0.056 0.000 3.528 2261 V HA 0.191 4.316 4.120 0.008 0.000 0.294 2261 V C 1.916 177.961 176.094 -0.081 0.000 1.404 2261 V CA -0.169 62.087 62.300 -0.074 0.000 1.065 2261 V CB 0.146 31.904 31.823 -0.108 0.000 0.904 2261 V HN 0.399 nan 8.190 nan 0.000 0.435 2262 K N 1.202 121.567 120.400 -0.059 0.000 2.148 2262 K HA 0.020 4.345 4.320 0.008 0.000 0.204 2262 K C -0.465 176.127 176.600 -0.013 0.000 1.050 2262 K CA 1.510 57.769 56.287 -0.046 0.000 0.942 2262 K CB -0.750 31.735 32.500 -0.024 0.000 0.724 2262 K HN 0.456 nan 8.250 nan 0.000 0.446 2263 P HA -0.166 nan 4.420 nan 0.000 0.217 2263 P C 1.173 178.494 177.300 0.036 0.000 1.150 2263 P CA 0.861 63.972 63.100 0.018 0.000 0.832 2263 P CB 0.102 31.812 31.700 0.017 0.000 0.787 2264 L N -0.605 120.636 121.223 0.030 0.000 2.109 2264 L HA 0.036 4.380 4.340 0.008 0.000 0.207 2264 L C 2.118 179.050 176.870 0.103 0.000 1.086 2264 L CA 1.665 56.544 54.840 0.065 0.000 0.760 2264 L CB -1.565 40.523 42.059 0.047 0.000 0.910 2264 L HN -0.148 nan 8.230 nan 0.000 0.437 2265 A N -0.329 122.513 122.820 0.037 0.000 1.858 2265 A HA -0.233 4.092 4.320 0.008 0.000 0.216 2265 A C 2.128 179.862 177.584 0.249 0.000 1.190 2265 A CA 1.891 53.992 52.037 0.106 0.000 0.617 2265 A CB -0.708 18.184 19.000 -0.180 0.000 0.827 2265 A HN 0.599 nan 8.150 nan 0.000 0.443 2266 E N -0.765 119.511 120.200 0.126 0.000 2.118 2266 E HA -0.277 4.077 4.350 0.008 0.000 0.195 2266 E C 2.230 178.884 176.600 0.090 0.000 0.992 2266 E CA 1.317 57.778 56.400 0.102 0.000 0.804 2266 E CB -0.220 29.515 29.700 0.059 0.000 0.741 2266 E HN 0.776 nan 8.360 nan 0.000 0.458 2267 Q N 0.553 120.407 119.800 0.090 0.000 2.135 2267 Q HA -0.190 4.155 4.340 0.008 0.000 0.204 2267 Q C 2.099 178.147 176.000 0.079 0.000 0.981 2267 Q CA 1.199 57.046 55.803 0.074 0.000 0.856 2267 Q CB 0.001 28.787 28.738 0.080 0.000 0.902 2267 Q HN 0.325 nan 8.270 nan 0.000 0.425 2268 I N -0.279 120.370 120.570 0.131 0.000 2.233 2268 I HA -0.228 3.947 4.170 0.008 0.000 0.243 2268 I C 2.347 178.474 176.117 0.016 0.000 1.093 2268 I CA 0.837 62.199 61.300 0.104 0.000 1.380 2268 I CB -0.376 37.739 38.000 0.190 0.000 1.067 2268 I HN 0.225 nan 8.210 nan 0.000 0.413 2269 A N 1.160 123.995 122.820 0.025 0.000 1.883 2269 A HA -0.221 4.103 4.320 0.008 0.000 0.217 2269 A C 2.280 179.855 177.584 -0.014 0.000 1.186 2269 A CA 1.750 53.772 52.037 -0.025 0.000 0.624 2269 A CB -1.009 18.000 19.000 0.014 0.000 0.822 2269 A HN 0.400 nan 8.150 nan 0.000 0.444 2270 I N -0.314 120.260 120.570 0.008 0.000 2.208 2270 I HA -0.255 3.920 4.170 0.008 0.000 0.245 2270 I C 2.536 178.646 176.117 -0.011 0.000 1.097 2270 I CA 1.849 63.150 61.300 0.001 0.000 1.363 2270 I CB -0.600 37.405 38.000 0.009 0.000 1.051 2270 I HN 0.286 nan 8.210 nan 0.000 0.413 2271 T N 0.523 115.069 114.554 -0.014 0.000 2.857 2271 T HA -0.043 4.312 4.350 0.008 0.000 0.266 2271 T C 1.910 176.588 174.700 -0.037 0.000 1.048 2271 T CA 1.216 63.300 62.100 -0.027 0.000 1.139 2271 T CB -0.267 68.581 68.868 -0.034 0.000 0.874 2271 T HN 0.458 nan 8.240 nan 0.000 0.455 2272 A N 0.695 123.486 122.820 -0.048 0.000 2.239 2272 A HA 0.458 4.783 4.320 0.008 0.000 0.209 2272 A C 1.746 179.301 177.584 -0.048 0.000 1.171 2272 A CA 0.751 52.750 52.037 -0.063 0.000 0.768 2272 A CB -0.973 17.965 19.000 -0.103 0.000 0.790 2272 A HN 0.829 nan 8.150 nan 0.000 0.478 2273 G N -1.715 107.064 108.800 -0.034 0.000 2.291 2273 G HA2 -0.197 3.767 3.960 0.008 0.000 0.271 2273 G HA3 -0.197 3.767 3.960 0.008 0.000 0.271 2273 G C -0.100 174.786 174.900 -0.023 0.000 1.099 2273 G CA 0.012 45.097 45.100 -0.024 0.000 0.919 2273 G HN 0.633 nan 8.290 nan 0.000 0.496 2274 c N 0.005 118.591 118.600 -0.023 0.000 2.493 2274 c HA 0.677 5.252 4.570 0.008 0.000 0.326 2274 c C 0.887 174.976 174.090 -0.003 0.000 1.200 2274 c CA -1.061 55.258 56.329 -0.017 0.000 1.739 2274 c CB 1.738 44.228 42.510 -0.034 0.000 2.300 2274 c HN 0.588 nan 8.230 nan 0.000 0.500 2275 K N 0.880 121.283 120.400 0.005 0.000 2.258 2275 K HA 0.281 4.606 4.320 0.008 0.000 0.264 2275 K C 0.537 177.146 176.600 0.014 0.000 1.007 2275 K CA 0.369 56.661 56.287 0.009 0.000 0.941 2275 K CB 0.622 33.127 32.500 0.009 0.000 0.966 2275 K HN 0.872 nan 8.250 nan 0.000 0.480 2276 T N -1.305 113.258 114.554 0.015 0.000 3.313 2276 T HA 0.101 4.456 4.350 0.008 0.000 0.263 2276 T C 0.957 175.665 174.700 0.014 0.000 0.983 2276 T CA -0.569 61.544 62.100 0.022 0.000 0.963 2276 T CB 0.354 69.239 68.868 0.028 0.000 1.141 2276 T HN 0.400 nan 8.240 nan 0.000 0.526 2277 T N 2.687 117.244 114.554 0.006 0.000 2.674 2277 T HA 0.026 4.380 4.350 0.008 0.000 0.265 2277 T C 1.228 175.925 174.700 -0.005 0.000 1.039 2277 T CA 1.769 63.868 62.100 -0.001 0.000 1.150 2277 T CB -0.189 68.673 68.868 -0.009 0.000 0.864 2277 T HN 0.822 nan 8.240 nan 0.000 0.427 2278 T N -2.106 112.439 114.554 -0.015 0.000 2.838 2278 T HA 0.514 4.869 4.350 0.008 0.000 0.292 2278 T C 1.027 175.708 174.700 -0.032 0.000 1.113 2278 T CA -0.582 61.500 62.100 -0.029 0.000 1.008 2278 T CB 1.722 70.550 68.868 -0.067 0.000 1.259 2278 T HN -0.154 nan 8.240 nan 0.000 0.520 2279 S N 0.316 115.992 115.700 -0.040 0.000 2.356 2279 S HA -0.051 4.424 4.470 0.008 0.000 0.223 2279 S C 2.491 177.042 174.600 -0.083 0.000 1.032 2279 S CA 1.435 59.634 58.200 -0.002 0.000 1.005 2279 S CB -1.035 62.242 63.200 0.128 0.000 0.867 2279 S HN 0.919 nan 8.310 nan 0.000 0.449 2280 A N 0.899 123.503 122.820 -0.361 0.000 1.908 2280 A HA -0.089 4.236 4.320 0.008 0.000 0.218 2280 A C 2.303 179.842 177.584 -0.075 0.000 1.181 2280 A CA 1.635 53.478 52.037 -0.324 0.000 0.627 2280 A CB -0.884 17.822 19.000 -0.491 0.000 0.818 2280 A HN 0.362 nan 8.150 nan 0.000 0.445 2281 V N -0.293 119.584 119.914 -0.063 0.000 2.515 2281 V HA -0.256 3.869 4.120 0.008 0.000 0.250 2281 V C 2.558 178.686 176.094 0.058 0.000 1.058 2281 V CA 1.969 64.273 62.300 0.006 0.000 1.064 2281 V CB -0.581 31.233 31.823 -0.016 0.000 0.675 2281 V HN 0.569 nan 8.190 nan 0.000 0.461 2282 M N -0.943 118.684 119.600 0.045 0.000 2.098 2282 M HA -0.118 4.367 4.480 0.008 0.000 0.262 2282 M C 2.265 178.580 176.300 0.026 0.000 1.072 2282 M CA 1.559 56.889 55.300 0.050 0.000 1.133 2282 M CB -0.485 32.182 32.600 0.112 0.000 1.344 2282 M HN 0.213 nan 8.290 nan 0.000 0.414 2283 V N -0.151 119.810 119.914 0.078 0.000 2.324 2283 V HA -0.327 3.798 4.120 0.008 0.000 0.250 2283 V C 2.269 178.409 176.094 0.076 0.000 1.060 2283 V CA 2.494 64.829 62.300 0.058 0.000 1.042 2283 V CB -1.162 30.749 31.823 0.146 0.000 0.650 2283 V HN 0.502 nan 8.190 nan 0.000 0.450 2284 H N -0.736 118.345 119.070 0.018 0.000 2.293 2284 H HA -0.226 4.325 4.556 -0.008 0.000 0.300 2284 H C 2.412 177.742 175.328 0.004 0.000 1.082 2284 H CA 2.467 58.525 56.048 0.015 0.000 1.308 2284 H CB -0.657 29.103 29.762 -0.003 0.000 1.375 2284 H HN 0.454 nan 8.280 nan 0.000 0.495 2285 c N 0.070 118.680 118.600 0.016 0.000 2.413 2285 c HA -0.110 4.465 4.570 0.008 0.000 0.276 2285 c C 2.810 176.840 174.090 -0.100 0.000 1.236 2285 c CA 1.171 57.472 56.329 -0.047 0.000 1.735 2285 c CB -1.467 41.044 42.510 0.002 0.000 2.031 2285 c HN 0.668 nan 8.230 nan 0.000 0.474 2286 L N 0.189 121.353 121.223 -0.098 0.000 2.191 2286 L HA -0.099 4.246 4.340 0.008 0.000 0.212 2286 L C 2.967 179.840 176.870 0.005 0.000 1.103 2286 L CA 1.330 56.108 54.840 -0.103 0.000 0.769 2286 L CB -0.605 41.283 42.059 -0.284 0.000 0.908 2286 L HN 0.371 nan 8.230 nan 0.000 0.438 2287 R N -0.432 120.069 120.500 0.003 0.000 2.153 2287 R HA -0.098 4.247 4.340 0.008 0.000 0.218 2287 R C 1.891 178.112 176.300 -0.133 0.000 1.072 2287 R CA 0.764 56.835 56.100 -0.048 0.000 0.990 2287 R CB -0.055 30.214 30.300 -0.051 0.000 0.889 2287 R HN 0.488 nan 8.270 nan 0.000 0.452 2288 Q N 0.294 119.990 119.800 -0.173 0.000 2.403 2288 Q HA 0.024 4.368 4.340 0.008 0.000 0.203 2288 Q C -0.194 175.750 176.000 -0.093 0.000 0.932 2288 Q CA 0.444 56.157 55.803 -0.150 0.000 0.945 2288 Q CB 0.470 29.097 28.738 -0.184 0.000 1.045 2288 Q HN 0.004 nan 8.270 nan 0.000 0.511 2289 K N 1.422 121.770 120.400 -0.087 0.000 2.154 2289 K HA 0.137 4.461 4.320 0.008 0.000 0.264 2289 K C 0.469 177.046 176.600 -0.038 0.000 1.008 2289 K CA -0.058 56.191 56.287 -0.063 0.000 0.937 2289 K CB 0.554 33.005 32.500 -0.081 0.000 1.002 2289 K HN 0.040 nan 8.250 nan 0.000 0.469 2290 T N -2.922 111.626 114.554 -0.009 0.000 2.816 2290 T HA 0.071 4.426 4.350 0.008 0.000 0.282 2290 T C 1.291 176.044 174.700 0.089 0.000 0.993 2290 T CA -0.559 61.556 62.100 0.025 0.000 0.994 2290 T CB 1.184 70.064 68.868 0.019 0.000 1.025 2290 T HN 0.643 nan 8.240 nan 0.000 0.529 2291 E N -0.039 120.245 120.200 0.140 0.000 2.058 2291 E HA -0.246 4.109 4.350 0.008 0.000 0.194 2291 E C 1.912 178.670 176.600 0.263 0.000 0.997 2291 E CA 1.191 57.761 56.400 0.284 0.000 0.801 2291 E CB -0.082 29.700 29.700 0.137 0.000 0.746 2291 E HN 0.726 nan 8.360 nan 0.000 0.450 2292 E N 0.867 121.145 120.200 0.131 0.000 2.085 2292 E HA -0.218 4.137 4.350 0.008 0.000 0.194 2292 E C 1.848 178.502 176.600 0.091 0.000 0.994 2292 E CA 1.398 57.858 56.400 0.100 0.000 0.801 2292 E CB -0.059 29.672 29.700 0.051 0.000 0.743 2292 E HN 0.410 nan 8.360 nan 0.000 0.453 2293 E N 0.020 120.256 120.200 0.060 0.000 2.110 2293 E HA -0.139 4.216 4.350 0.008 0.000 0.193 2293 E C 2.311 178.915 176.600 0.007 0.000 0.988 2293 E CA 0.799 57.212 56.400 0.022 0.000 0.804 2293 E CB -0.055 29.642 29.700 -0.004 0.000 0.745 2293 E HN 0.255 nan 8.360 nan 0.000 0.458 2294 L N 0.355 121.585 121.223 0.012 0.000 2.179 2294 L HA -0.098 4.246 4.340 0.008 0.000 0.208 2294 L C 2.337 179.215 176.870 0.013 0.000 1.096 2294 L CA 0.080 54.844 54.840 -0.125 0.000 0.779 2294 L CB -0.142 41.645 42.059 -0.452 0.000 0.922 2294 L HN 0.181 nan 8.230 nan 0.000 0.443 2295 L N 0.135 121.511 121.223 0.254 0.000 2.201 2295 L HA -0.164 4.181 4.340 0.008 0.000 0.212 2295 L C 2.217 179.176 176.870 0.149 0.000 1.105 2295 L CA 1.754 56.786 54.840 0.320 0.000 0.775 2295 L CB -0.464 41.764 42.059 0.282 0.000 0.913 2295 L HN 0.243 nan 8.230 nan 0.000 0.440 2296 E N -1.645 118.603 120.200 0.081 0.000 2.285 2296 E HA -0.095 4.260 4.350 0.008 0.000 0.194 2296 E C 1.791 178.392 176.600 0.002 0.000 0.997 2296 E CA 1.162 57.582 56.400 0.033 0.000 0.845 2296 E CB -0.050 29.660 29.700 0.016 0.000 0.782 2296 E HN 0.488 nan 8.360 nan 0.000 0.491 2297 T N 0.708 115.258 114.554 -0.006 0.000 2.812 2297 T HA -0.150 4.205 4.350 0.008 0.000 0.264 2297 T C 2.298 176.975 174.700 -0.037 0.000 1.042 2297 T CA 1.792 63.870 62.100 -0.037 0.000 1.140 2297 T CB -0.443 68.388 68.868 -0.060 0.000 0.870 2297 T HN 0.385 nan 8.240 nan 0.000 0.445 2298 T N 1.497 116.082 114.554 0.051 0.000 2.684 2298 T HA -0.079 4.276 4.350 0.008 0.000 0.267 2298 T C 1.933 176.602 174.700 -0.051 0.000 1.036 2298 T CA 0.784 62.972 62.100 0.146 0.000 1.148 2298 T CB -0.704 68.385 68.868 0.367 0.000 0.863 2298 T HN 0.043 nan 8.240 nan 0.000 0.436 2299 L N 1.365 122.590 121.223 0.004 0.000 2.012 2299 L HA 0.053 4.398 4.340 0.008 0.000 0.210 2299 L C 2.764 179.572 176.870 -0.104 0.000 1.073 2299 L CA 1.696 56.519 54.840 -0.030 0.000 0.748 2299 L CB -0.774 41.291 42.059 0.010 0.000 0.891 2299 L HN 0.314 nan 8.230 nan 0.000 0.431 2300 K N -1.527 118.808 120.400 -0.109 0.000 2.097 2300 K HA -0.149 4.176 4.320 0.008 0.000 0.206 2300 K C 1.971 178.449 176.600 -0.203 0.000 1.049 2300 K CA 1.108 57.323 56.287 -0.121 0.000 0.933 2300 K CB -0.190 32.257 32.500 -0.089 0.000 0.717 2300 K HN 0.208 nan 8.250 nan 0.000 0.442 2301 M N 0.753 120.142 119.600 -0.352 0.000 2.267 2301 M HA -0.119 4.366 4.480 0.008 0.000 0.263 2301 M C 0.649 176.623 176.300 -0.544 0.000 1.063 2301 M CA 1.112 56.060 55.300 -0.586 0.000 1.090 2301 M CB -0.830 30.985 32.600 -1.308 0.000 1.392 2301 M HN 0.115 nan 8.290 nan 0.000 0.422 2302 K N 0.489 120.640 120.400 -0.414 0.000 3.244 2302 K HA -0.171 4.154 4.320 0.008 0.000 0.270 2302 K C -0.595 175.918 176.600 -0.144 0.000 1.016 2302 K CA -0.081 56.081 56.287 -0.208 0.000 0.754 2302 K CB -1.383 31.043 32.500 -0.123 0.000 1.326 2302 K HN 0.146 nan 8.250 nan 0.000 0.465 2303 F N 0.631 120.598 119.950 0.027 0.000 2.456 2303 F HA 0.118 4.649 4.527 0.007 0.000 0.306 2303 F C 2.054 177.864 175.800 0.018 0.000 1.278 2303 F CA 0.294 58.309 58.000 0.026 0.000 1.264 2303 F CB 0.228 39.254 39.000 0.043 0.000 1.253 2303 F HN 0.159 nan 8.300 nan 0.000 0.554 2304 L N 0.105 121.473 121.223 0.242 0.000 3.976 2304 L HA -0.291 4.054 4.340 0.008 0.000 0.418 2304 L C -0.491 176.426 176.870 0.077 0.000 1.177 2304 L CA 0.094 55.004 54.840 0.116 0.000 0.968 2304 L CB -2.117 39.999 42.059 0.094 0.000 1.933 2304 L HN 0.473 nan 8.230 nan 0.000 0.976 2305 S N -0.397 115.354 115.700 0.086 0.000 2.546 2305 S HA 0.618 5.093 4.470 0.008 0.000 0.274 2305 S C -0.500 174.139 174.600 0.065 0.000 1.121 2305 S CA -0.677 57.559 58.200 0.060 0.000 0.887 2305 S CB 2.626 65.845 63.200 0.032 0.000 1.094 2305 S HN 0.218 nan 8.310 nan 0.000 0.474 2306 L N 3.562 124.827 121.223 0.068 0.000 2.401 2306 L HA 0.345 4.690 4.340 0.008 0.000 0.283 2306 L C -0.335 176.531 176.870 -0.007 0.000 1.151 2306 L CA -0.190 54.679 54.840 0.049 0.000 0.942 2306 L CB -0.176 41.915 42.059 0.053 0.000 1.283 2306 L HN 0.542 nan 8.230 nan 0.000 0.442 2307 D N 3.746 124.141 120.400 -0.008 0.000 2.412 2307 D HA -0.047 4.597 4.640 0.008 0.000 0.257 2307 D C 0.845 177.116 176.300 -0.049 0.000 1.217 2307 D CA 0.504 54.489 54.000 -0.026 0.000 0.897 2307 D CB 0.770 41.557 40.800 -0.021 0.000 1.132 2307 D HN 0.590 nan 8.370 nan 0.000 0.493 2308 L N 2.285 123.479 121.223 -0.048 0.000 2.477 2308 L HA 0.078 4.423 4.340 0.008 0.000 0.220 2308 L C 1.291 178.138 176.870 -0.038 0.000 1.106 2308 L CA 0.188 54.995 54.840 -0.055 0.000 0.851 2308 L CB 0.002 42.030 42.059 -0.053 0.000 0.994 2308 L HN 0.415 nan 8.230 nan 0.000 0.462 2309 Q N 0.761 120.543 119.800 -0.030 0.000 2.256 2309 Q HA 0.434 4.779 4.340 0.008 0.000 0.254 2309 Q C 0.262 176.251 176.000 -0.018 0.000 0.916 2309 Q CA 0.816 56.608 55.803 -0.019 0.000 0.932 2309 Q CB 1.665 30.393 28.738 -0.017 0.000 1.207 2309 Q HN 0.319 nan 8.270 nan 0.000 0.426 2310 G N 3.894 112.691 108.800 -0.006 0.000 2.615 2310 G HA2 -0.262 3.703 3.960 0.008 0.000 0.218 2310 G HA3 -0.262 3.703 3.960 0.008 0.000 0.218 2310 G C -0.958 173.940 174.900 -0.003 0.000 1.339 2310 G CA -0.196 44.903 45.100 -0.001 0.000 0.884 2310 G HN 0.666 nan 8.290 nan 0.000 0.559 2311 D N 0.643 121.042 120.400 -0.003 0.000 2.277 2311 D HA 0.598 5.243 4.640 0.008 0.000 0.249 2311 D C -0.668 175.574 176.300 -0.095 0.000 1.134 2311 D CA -1.765 52.229 54.000 -0.011 0.000 0.863 2311 D CB 1.473 42.286 40.800 0.023 0.000 1.143 2311 D HN 0.038 nan 8.370 nan 0.000 0.458 2312 P HA -0.101 nan 4.420 nan 0.000 0.215 2312 P C 0.988 178.174 177.300 -0.189 0.000 1.153 2312 P CA 1.123 64.022 63.100 -0.335 0.000 0.853 2312 P CB 0.217 31.425 31.700 -0.820 0.000 0.788 2313 R N -0.220 120.134 120.500 -0.243 0.000 2.193 2313 R HA -0.097 4.248 4.340 0.008 0.000 0.229 2313 R C 1.101 177.415 176.300 0.022 0.000 1.110 2313 R CA 0.950 57.001 56.100 -0.082 0.000 0.988 2313 R CB -0.403 29.805 30.300 -0.154 0.000 0.871 2313 R HN 0.389 nan 8.270 nan 0.000 0.458 2314 E N -0.147 120.049 120.200 -0.007 0.000 2.411 2314 E HA 0.090 4.445 4.350 0.008 0.000 0.204 2314 E C -0.685 175.925 176.600 0.016 0.000 1.059 2314 E CA -0.179 56.229 56.400 0.014 0.000 1.112 2314 E CB 0.982 30.687 29.700 0.008 0.000 1.168 2314 E HN -0.077 nan 8.360 nan 0.000 0.445 2315 S N 1.109 116.821 115.700 0.020 0.000 2.552 2315 S HA 0.204 4.679 4.470 0.008 0.000 0.314 2315 S C -0.690 173.940 174.600 0.051 0.000 1.099 2315 S CA -0.712 57.504 58.200 0.027 0.000 1.070 2315 S CB 0.777 63.977 63.200 -0.000 0.000 0.998 2315 S HN 0.030 nan 8.310 nan 0.000 0.474 2316 Q N 5.043 124.894 119.800 0.086 0.000 2.560 2316 Q HA 0.273 4.618 4.340 0.008 0.000 0.238 2316 Q C -1.775 174.342 176.000 0.194 0.000 1.079 2316 Q CA -1.909 53.962 55.803 0.113 0.000 0.866 2316 Q CB 1.531 30.354 28.738 0.142 0.000 1.153 2316 Q HN 0.583 nan 8.270 nan 0.000 0.530 2317 P HA -0.045 nan 4.420 nan 0.000 0.226 2317 P C 0.196 177.578 177.300 0.137 0.000 1.153 2317 P CA 0.649 63.850 63.100 0.167 0.000 0.777 2317 P CB 1.049 32.797 31.700 0.079 0.000 0.794 2318 L N -0.968 120.244 121.223 -0.018 0.000 2.277 2318 L HA 0.458 4.803 4.340 0.008 0.000 0.254 2318 L C -0.374 176.283 176.870 -0.356 0.000 1.044 2318 L CA -1.220 53.485 54.840 -0.224 0.000 0.842 2318 L CB 2.269 44.218 42.059 -0.184 0.000 1.422 2318 L HN -0.278 nan 8.230 nan 0.000 0.422 2319 L N 1.343 122.315 121.223 -0.418 0.000 2.462 2319 L HA 0.435 4.780 4.340 0.008 0.000 0.255 2319 L C 0.184 176.841 176.870 -0.355 0.000 1.076 2319 L CA 0.150 54.802 54.840 -0.313 0.000 0.920 2319 L CB 0.521 42.403 42.059 -0.295 0.000 1.214 2319 L HN 0.744 nan 8.230 nan 0.000 0.472 2320 G N 1.648 110.259 108.800 -0.314 0.000 2.736 2320 G HA2 0.423 4.388 3.960 0.008 0.000 0.229 2320 G HA3 0.423 4.388 3.960 0.008 0.000 0.229 2320 G C -0.270 174.453 174.900 -0.295 0.000 1.380 2320 G CA -0.168 44.671 45.100 -0.435 0.000 1.040 2320 G HN 0.330 nan 8.290 nan 0.000 0.568 2321 T N 0.104 114.556 114.554 -0.171 0.000 2.918 2321 T HA 0.438 4.793 4.350 0.008 0.000 0.302 2321 T C 0.281 174.966 174.700 -0.024 0.000 1.045 2321 T CA 0.092 62.223 62.100 0.051 0.000 1.114 2321 T CB 1.159 70.076 68.868 0.083 0.000 0.965 2321 T HN 0.961 nan 8.240 nan 0.000 0.540 2322 V N -0.049 119.854 119.914 -0.018 0.000 3.040 2322 V HA 0.569 4.693 4.120 0.008 0.000 0.312 2322 V C -0.418 175.623 176.094 -0.089 0.000 1.115 2322 V CA -1.266 60.989 62.300 -0.075 0.000 0.998 2322 V CB 1.736 33.498 31.823 -0.101 0.000 1.042 2322 V HN 0.611 nan 8.190 nan 0.000 0.433 2323 I N 4.157 124.672 120.570 -0.092 0.000 2.270 2323 I HA 0.145 4.320 4.170 0.008 0.000 0.294 2323 I C 1.455 177.516 176.117 -0.094 0.000 1.164 2323 I CA 0.165 61.411 61.300 -0.091 0.000 1.680 2323 I CB -0.827 37.127 38.000 -0.078 0.000 1.494 2323 I HN 0.973 nan 8.210 nan 0.000 0.767 2324 D N 3.047 123.381 120.400 -0.111 0.000 2.218 2324 D HA -0.152 4.492 4.640 0.008 0.000 0.204 2324 D C 1.443 177.689 176.300 -0.089 0.000 0.976 2324 D CA 1.232 55.159 54.000 -0.122 0.000 0.853 2324 D CB 0.219 40.914 40.800 -0.175 0.000 0.939 2324 D HN 0.592 nan 8.370 nan 0.000 0.481 2325 G N -0.304 108.450 108.800 -0.076 0.000 2.157 2325 G HA2 -0.237 3.728 3.960 0.008 0.000 0.239 2325 G HA3 -0.237 3.728 3.960 0.008 0.000 0.239 2325 G C 0.836 175.709 174.900 -0.045 0.000 0.982 2325 G CA 0.586 45.653 45.100 -0.055 0.000 0.650 2325 G HN 0.281 nan 8.290 nan 0.000 0.527 2326 M N -1.614 117.954 119.600 -0.053 0.000 2.902 2326 M HA 0.440 4.925 4.480 0.008 0.000 0.225 2326 M C 2.118 178.391 176.300 -0.044 0.000 1.711 2326 M CA 0.886 56.166 55.300 -0.034 0.000 1.213 2326 M CB -1.061 31.527 32.600 -0.019 0.000 1.265 2326 M HN 0.206 nan 8.290 nan 0.000 0.577 2327 L N 0.623 121.806 121.223 -0.066 0.000 2.102 2327 L HA 0.219 4.563 4.340 0.008 0.000 0.202 2327 L C 0.185 176.990 176.870 -0.109 0.000 1.076 2327 L CA 1.269 56.059 54.840 -0.084 0.000 0.761 2327 L CB 0.332 42.331 42.059 -0.101 0.000 0.921 2327 L HN 0.102 nan 8.230 nan 0.000 0.444 2328 L N 0.029 121.186 121.223 -0.111 0.000 2.343 2328 L HA 0.251 4.596 4.340 0.008 0.000 0.278 2328 L C 0.365 177.184 176.870 -0.085 0.000 0.996 2328 L CA -0.355 54.417 54.840 -0.113 0.000 0.831 2328 L CB 1.904 43.883 42.059 -0.132 0.000 1.232 2328 L HN 0.077 nan 8.230 nan 0.000 0.413 2329 L N 2.031 123.212 121.223 -0.070 0.000 2.418 2329 L HA 0.152 4.497 4.340 0.008 0.000 0.218 2329 L C 0.633 177.475 176.870 -0.047 0.000 1.125 2329 L CA 0.949 55.758 54.840 -0.051 0.000 0.835 2329 L CB -0.175 41.863 42.059 -0.036 0.000 0.953 2329 L HN 0.623 nan 8.230 nan 0.000 0.454 2330 K N -1.167 119.200 120.400 -0.056 0.000 2.428 2330 K HA 0.307 4.632 4.320 0.008 0.000 0.279 2330 K C -0.438 176.125 176.600 -0.062 0.000 1.041 2330 K CA -0.657 55.601 56.287 -0.049 0.000 0.887 2330 K CB 1.421 33.902 32.500 -0.032 0.000 1.535 2330 K HN -0.172 nan 8.250 nan 0.000 0.417 2331 T N -1.360 113.160 114.554 -0.056 0.000 2.898 2331 T HA 0.140 4.495 4.350 0.008 0.000 0.301 2331 T C -2.060 172.602 174.700 -0.065 0.000 1.049 2331 T CA -1.232 60.828 62.100 -0.066 0.000 1.095 2331 T CB 0.868 69.700 68.868 -0.060 0.000 0.976 2331 T HN 0.126 nan 8.240 nan 0.000 0.539 2332 P HA -0.132 nan 4.420 nan 0.000 0.216 2332 P C 1.367 178.645 177.300 -0.037 0.000 1.157 2332 P CA 1.258 64.317 63.100 -0.070 0.000 0.880 2332 P CB 0.022 31.674 31.700 -0.079 0.000 0.791 2333 E N -0.275 119.902 120.200 -0.039 0.000 2.086 2333 E HA -0.228 4.127 4.350 0.008 0.000 0.200 2333 E C 1.960 178.560 176.600 0.001 0.000 1.012 2333 E CA 1.495 57.883 56.400 -0.019 0.000 0.812 2333 E CB -0.722 28.958 29.700 -0.034 0.000 0.743 2333 E HN 0.442 nan 8.360 nan 0.000 0.453 2334 E N 0.146 120.341 120.200 -0.008 0.000 2.028 2334 E HA -0.105 4.250 4.350 0.008 0.000 0.191 2334 E C 2.118 178.732 176.600 0.024 0.000 0.988 2334 E CA 0.720 57.123 56.400 0.005 0.000 0.799 2334 E CB -0.167 29.528 29.700 -0.008 0.000 0.755 2334 E HN 0.194 nan 8.360 nan 0.000 0.447 2335 L N 1.081 122.308 121.223 0.008 0.000 2.261 2335 L HA -0.252 4.092 4.340 0.008 0.000 0.216 2335 L C 2.377 179.310 176.870 0.104 0.000 1.114 2335 L CA 1.092 55.945 54.840 0.022 0.000 0.777 2335 L CB -0.294 41.729 42.059 -0.060 0.000 0.910 2335 L HN 0.213 nan 8.230 nan 0.000 0.440 2336 Q N -0.832 119.027 119.800 0.099 0.000 2.212 2336 Q HA -0.063 4.282 4.340 0.008 0.000 0.199 2336 Q C 2.439 178.530 176.000 0.151 0.000 0.950 2336 Q CA 0.983 56.889 55.803 0.171 0.000 0.863 2336 Q CB -0.038 28.773 28.738 0.121 0.000 0.944 2336 Q HN 0.559 nan 8.270 nan 0.000 0.465 2337 A N 2.393 125.270 122.820 0.095 0.000 1.834 2337 A HA -0.189 4.136 4.320 0.008 0.000 0.216 2337 A C 0.939 178.569 177.584 0.076 0.000 1.203 2337 A CA 1.049 53.128 52.037 0.069 0.000 0.621 2337 A CB -0.873 18.154 19.000 0.046 0.000 0.841 2337 A HN 0.502 nan 8.150 nan 0.000 0.446 2338 E N -0.271 119.979 120.200 0.083 0.000 2.442 2338 E HA 0.173 4.528 4.350 0.008 0.000 0.262 2338 E C 0.321 176.994 176.600 0.121 0.000 1.004 2338 E CA -0.058 56.391 56.400 0.082 0.000 0.928 2338 E CB 0.636 30.389 29.700 0.088 0.000 0.937 2338 E HN 0.479 nan 8.360 nan 0.000 0.446 2339 R N 1.741 122.264 120.500 0.038 0.000 2.049 2339 R HA 0.049 4.393 4.340 0.008 0.000 0.202 2339 R C 0.596 176.689 176.300 -0.344 0.000 1.306 2339 R CA -0.310 55.743 56.100 -0.078 0.000 1.107 2339 R CB -0.164 30.068 30.300 -0.114 0.000 0.996 2339 R HN 0.499 nan 8.270 nan 0.000 0.469 2340 N N 2.165 120.716 118.700 -0.249 0.000 2.383 2340 N HA -0.076 4.669 4.740 0.008 0.000 0.295 2340 N C 0.121 175.531 175.510 -0.167 0.000 1.281 2340 N CA 0.382 53.252 53.050 -0.299 0.000 1.048 2340 N CB 0.118 38.511 38.487 -0.156 0.000 1.455 2340 N HN 0.114 nan 8.380 nan 0.000 0.488 2341 F N 0.797 120.764 119.950 0.028 0.000 2.204 2341 F HA 0.236 4.769 4.527 0.009 0.000 0.276 2341 F C 1.262 177.123 175.800 0.101 0.000 1.085 2341 F CA 0.007 58.039 58.000 0.053 0.000 1.160 2341 F CB -0.059 38.977 39.000 0.060 0.000 1.091 2341 F HN 0.359 nan 8.300 nan 0.000 0.522 2342 H N 0.984 120.168 119.070 0.190 0.000 5.313 2342 H HA 0.093 4.654 4.556 0.009 0.000 0.797 2342 H C -1.222 174.174 175.328 0.114 0.000 1.957 2342 H CA -0.488 55.601 56.048 0.068 0.000 1.552 2342 H CB 0.031 29.816 29.762 0.038 0.000 3.837 2342 H HN 0.359 nan 8.280 nan 0.000 0.646 2343 T N 0.641 115.184 114.554 -0.017 0.000 2.918 2343 T HA 0.533 4.887 4.350 0.008 0.000 0.302 2343 T C 0.805 175.550 174.700 0.074 0.000 1.045 2343 T CA 0.061 62.205 62.100 0.074 0.000 1.114 2343 T CB 1.869 70.640 68.868 -0.162 0.000 0.965 2343 T HN 0.490 nan 8.240 nan 0.000 0.540 2344 V N -1.351 118.721 119.914 0.264 0.000 3.160 2344 V HA 0.773 4.897 4.120 0.008 0.000 0.310 2344 V C -3.234 173.098 176.094 0.397 0.000 1.181 2344 V CA -3.404 59.031 62.300 0.225 0.000 1.047 2344 V CB 1.565 33.481 31.823 0.156 0.000 1.068 2344 V HN 0.650 nan 8.190 nan 0.000 0.441 2345 P HA 0.227 nan 4.420 nan 0.000 0.267 2345 P C -1.533 176.136 177.300 0.614 0.000 1.209 2345 P CA 0.549 63.912 63.100 0.438 0.000 0.763 2345 P CB -0.195 31.610 31.700 0.174 0.000 0.816 2346 Y N 4.166 124.703 120.300 0.395 0.000 2.338 2346 Y HA 0.493 5.048 4.550 0.008 0.000 0.333 2346 Y C -0.638 175.270 175.900 0.012 0.000 0.968 2346 Y CA -1.515 56.635 58.100 0.083 0.000 1.123 2346 Y CB 1.334 39.471 38.460 -0.538 0.000 1.165 2346 Y HN 0.217 nan 8.280 nan 0.000 0.452 2347 M N 7.709 127.396 119.600 0.146 0.000 2.180 2347 M HA 0.553 5.038 4.480 0.008 0.000 0.350 2347 M C -2.100 174.077 176.300 -0.206 0.000 1.125 2347 M CA -0.607 54.531 55.300 -0.270 0.000 1.031 2347 M CB 0.900 32.995 32.600 -0.841 0.000 1.623 2347 M HN 0.442 nan 8.290 nan 0.000 0.451 2348 V N 4.432 124.145 119.914 -0.336 0.000 2.531 2348 V HA 0.884 5.009 4.120 0.008 0.000 0.301 2348 V C 0.140 175.946 176.094 -0.480 0.000 1.034 2348 V CA -0.588 61.465 62.300 -0.412 0.000 0.865 2348 V CB 1.658 33.115 31.823 -0.609 0.000 0.995 2348 V HN 1.012 nan 8.190 nan 0.000 0.424 2349 G N 3.899 112.329 108.800 -0.616 0.000 2.660 2349 G HA2 0.871 4.836 3.960 0.008 0.000 0.294 2349 G HA3 0.871 4.836 3.960 0.008 0.000 0.294 2349 G C -1.243 173.315 174.900 -0.568 0.000 1.369 2349 G CA -0.656 43.743 45.100 -1.168 0.000 0.912 2349 G HN 0.914 nan 8.290 nan 0.000 0.479 2350 I N -2.256 118.091 120.570 -0.372 0.000 3.145 2350 I HA 0.634 4.809 4.170 0.008 0.000 0.313 2350 I C -1.003 175.176 176.117 0.103 0.000 1.122 2350 I CA -1.394 59.858 61.300 -0.079 0.000 0.987 2350 I CB 2.547 40.535 38.000 -0.021 0.000 1.236 2350 I HN 0.412 nan 8.210 nan 0.000 0.453 2351 N N 1.504 120.270 118.700 0.111 0.000 2.370 2351 N HA 0.228 4.973 4.740 0.008 0.000 0.303 2351 N C 0.013 175.638 175.510 0.193 0.000 1.103 2351 N CA -0.804 52.383 53.050 0.228 0.000 0.848 2351 N CB 2.309 40.906 38.487 0.182 0.000 1.235 2351 N HN 0.533 nan 8.380 nan 0.000 0.496 2352 K N 0.992 121.525 120.400 0.222 0.000 2.032 2352 K HA -0.216 4.109 4.320 0.008 0.000 0.218 2352 K C 0.234 176.932 176.600 0.163 0.000 1.054 2352 K CA 1.958 58.349 56.287 0.172 0.000 0.941 2352 K CB 0.056 32.647 32.500 0.151 0.000 0.720 2352 K HN 0.565 nan 8.250 nan 0.000 0.449 2353 Q N 0.248 120.154 119.800 0.176 0.000 2.769 2353 Q HA 0.093 4.437 4.340 0.008 0.000 0.375 2353 Q C 0.012 176.133 176.000 0.201 0.000 0.996 2353 Q CA -0.323 55.590 55.803 0.183 0.000 1.042 2353 Q CB 1.211 30.056 28.738 0.178 0.000 1.329 2353 Q HN 0.210 nan 8.270 nan 0.000 0.427 2354 E N 0.128 120.442 120.200 0.189 0.000 2.169 2354 E HA -0.217 4.138 4.350 0.008 0.000 0.202 2354 E C 0.474 177.231 176.600 0.262 0.000 1.016 2354 E CA 1.437 57.942 56.400 0.175 0.000 0.817 2354 E CB 0.084 29.890 29.700 0.176 0.000 0.736 2354 E HN 0.414 nan 8.360 nan 0.000 0.462 2355 F N 0.031 120.048 119.950 0.112 0.000 2.855 2355 F HA 0.343 4.875 4.527 0.008 0.000 0.317 2355 F C 1.532 177.360 175.800 0.046 0.000 1.169 2355 F CA -0.168 57.855 58.000 0.038 0.000 1.299 2355 F CB 0.542 39.511 39.000 -0.051 0.000 0.962 2355 F HN -0.099 nan 8.300 nan 0.000 0.506 2356 G N -0.091 108.838 108.800 0.215 0.000 2.394 2356 G HA2 -0.235 3.729 3.960 0.008 0.000 0.215 2356 G HA3 -0.235 3.729 3.960 0.008 0.000 0.215 2356 G C 1.089 176.147 174.900 0.264 0.000 1.165 2356 G CA 1.157 46.397 45.100 0.234 0.000 0.784 2356 G HN 0.605 nan 8.290 nan 0.000 0.535 2357 W N -1.255 120.043 121.300 -0.002 0.000 5.194 2357 W HA 0.339 5.004 4.660 0.008 0.000 0.169 2357 W C 1.895 178.371 176.519 -0.072 0.000 1.110 2357 W CA -0.069 57.265 57.345 -0.018 0.000 1.861 2357 W CB -0.469 29.010 29.460 0.032 0.000 0.573 2357 W HN -0.009 nan 8.180 nan 0.000 1.069 2358 L N 1.534 122.802 121.223 0.075 0.000 1.990 2358 L HA -0.237 4.107 4.340 0.008 0.000 0.213 2358 L C 2.147 178.784 176.870 -0.388 0.000 1.072 2358 L CA 2.600 57.355 54.840 -0.142 0.000 0.755 2358 L CB -0.728 41.469 42.059 0.230 0.000 0.889 2358 L HN 0.103 nan 8.230 nan 0.000 0.432 2359 I N 0.187 120.498 120.570 -0.432 0.000 2.039 2359 I HA -0.240 3.935 4.170 0.008 0.000 0.233 2359 I C -0.282 175.416 176.117 -0.698 0.000 1.040 2359 I CA 1.708 62.624 61.300 -0.639 0.000 1.308 2359 I CB -2.371 34.983 38.000 -1.077 0.000 1.035 2359 I HN 0.273 nan 8.210 nan 0.000 0.392 2360 P HA -0.215 nan 4.420 nan 0.000 0.216 2360 P C 1.260 178.387 177.300 -0.288 0.000 1.154 2360 P CA 1.572 64.359 63.100 -0.521 0.000 0.865 2360 P CB -0.186 31.270 31.700 -0.406 0.000 0.789 2364 M N -0.004 119.542 119.600 -0.090 0.000 2.561 2364 M HA 0.166 4.651 4.480 0.008 0.000 0.238 2364 M C 0.559 176.901 176.300 0.071 0.000 1.131 2364 M CA 0.310 55.622 55.300 0.021 0.000 1.046 2364 M CB 0.238 32.891 32.600 0.087 0.000 1.532 2364 M HN 0.211 nan 8.290 nan 0.000 0.497 2365 S N 0.641 116.356 115.700 0.025 0.000 3.706 2365 S HA -0.177 4.298 4.470 0.008 0.000 0.363 2365 S C -0.288 174.372 174.600 0.100 0.000 0.999 2365 S CA 0.274 58.496 58.200 0.036 0.000 1.143 2365 S CB -1.928 61.280 63.200 0.013 0.000 0.902 2365 S HN 0.493 nan 8.310 nan 0.000 0.476 2366 Y N 1.545 121.842 120.300 -0.004 0.000 2.511 2366 Y HA 0.297 4.852 4.550 0.008 0.000 0.332 2366 Y C -1.741 174.194 175.900 0.059 0.000 1.177 2366 Y CA -1.277 56.863 58.100 0.067 0.000 1.422 2366 Y CB 0.480 39.020 38.460 0.134 0.000 1.271 2366 Y HN 0.077 nan 8.280 nan 0.000 0.550 2367 P HA 0.149 nan 4.420 nan 0.000 0.220 2367 P C -1.058 176.281 177.300 0.065 0.000 1.806 2367 P CA 0.178 63.275 63.100 -0.006 0.000 0.976 2367 P CB -0.153 31.499 31.700 -0.081 0.000 1.952 2368 L N 0.689 122.001 121.223 0.148 0.000 2.784 2368 L HA 0.223 4.568 4.340 0.008 0.000 0.241 2368 L C 0.969 177.912 176.870 0.122 0.000 1.352 2368 L CA 0.301 55.237 54.840 0.161 0.000 0.911 2368 L CB 0.421 42.643 42.059 0.271 0.000 1.227 2368 L HN -0.035 nan 8.230 nan 0.000 0.501 2369 S N -0.024 115.726 115.700 0.083 0.000 2.596 2369 S HA 0.269 4.744 4.470 0.008 0.000 0.248 2369 S C 0.995 175.632 174.600 0.062 0.000 1.162 2369 S CA 0.076 58.319 58.200 0.072 0.000 1.185 2369 S CB -0.154 63.078 63.200 0.054 0.000 0.833 2369 S HN 0.501 nan 8.310 nan 0.000 0.472 2370 E N -0.369 119.872 120.200 0.068 0.000 2.521 2370 E HA 0.148 4.503 4.350 0.008 0.000 0.199 2370 E C 1.039 177.676 176.600 0.062 0.000 1.006 2370 E CA 0.724 57.157 56.400 0.055 0.000 1.630 2370 E CB 0.065 29.787 29.700 0.037 0.000 2.725 2370 E HN 0.500 nan 8.360 nan 0.000 1.103 2371 G N 2.888 111.736 108.800 0.079 0.000 2.296 2371 G HA2 -0.337 3.627 3.960 0.008 0.000 0.282 2371 G HA3 -0.337 3.627 3.960 0.008 0.000 0.282 2371 G C 0.578 175.518 174.900 0.068 0.000 1.014 2371 G CA 1.311 46.464 45.100 0.089 0.000 0.812 2371 G HN 0.297 nan 8.290 nan 0.000 0.508 2372 Q N -1.293 118.535 119.800 0.047 0.000 2.139 2372 Q HA 0.335 4.679 4.340 0.008 0.000 0.219 2372 Q C 1.224 177.236 176.000 0.019 0.000 0.805 2372 Q CA -0.567 55.257 55.803 0.035 0.000 1.024 2372 Q CB 1.026 29.780 28.738 0.028 0.000 1.163 2372 Q HN 0.634 nan 8.270 nan 0.000 0.485 2373 L N 3.908 125.136 121.223 0.007 0.000 2.811 2373 L HA -0.149 4.196 4.340 0.008 0.000 0.304 2373 L C -0.335 176.514 176.870 -0.035 0.000 1.227 2373 L CA 0.616 55.431 54.840 -0.041 0.000 0.880 2373 L CB 0.468 42.468 42.059 -0.099 0.000 1.169 2373 L HN 0.232 nan 8.230 nan 0.000 0.498 2374 D N 3.374 123.745 120.400 -0.047 0.000 2.269 2374 D HA 0.088 4.733 4.640 0.008 0.000 0.244 2374 D C 0.267 176.544 176.300 -0.039 0.000 0.992 2374 D CA -0.717 53.267 54.000 -0.026 0.000 0.894 2374 D CB 1.662 42.453 40.800 -0.014 0.000 1.248 2374 D HN 0.682 nan 8.370 nan 0.000 0.468 2375 Q N 0.669 120.464 119.800 -0.009 0.000 2.156 2375 Q HA -0.273 4.072 4.340 0.008 0.000 0.211 2375 Q C 1.929 177.928 176.000 -0.001 0.000 0.995 2375 Q CA 2.044 57.850 55.803 0.006 0.000 0.877 2375 Q CB 0.090 28.845 28.738 0.028 0.000 0.920 2375 Q HN 0.546 nan 8.270 nan 0.000 0.416 2376 K N -0.988 119.409 120.400 -0.005 0.000 2.026 2376 K HA -0.139 4.186 4.320 0.008 0.000 0.208 2376 K C 1.960 178.552 176.600 -0.013 0.000 1.048 2376 K CA 1.782 58.068 56.287 -0.002 0.000 0.929 2376 K CB -0.116 32.382 32.500 -0.003 0.000 0.713 2376 K HN 0.173 nan 8.250 nan 0.000 0.439 2377 T N 0.754 115.286 114.554 -0.037 0.000 2.833 2377 T HA -0.099 4.256 4.350 0.008 0.000 0.269 2377 T C 1.747 176.375 174.700 -0.119 0.000 1.054 2377 T CA 1.147 63.210 62.100 -0.062 0.000 1.135 2377 T CB -0.219 68.607 68.868 -0.071 0.000 0.869 2377 T HN 0.422 nan 8.240 nan 0.000 0.466 2378 A N 1.512 124.227 122.820 -0.174 0.000 1.877 2378 A HA -0.054 4.271 4.320 0.008 0.000 0.216 2378 A C 2.309 179.864 177.584 -0.049 0.000 1.186 2378 A CA 1.472 53.310 52.037 -0.331 0.000 0.620 2378 A CB -0.635 18.207 19.000 -0.264 0.000 0.822 2378 A HN 0.462 nan 8.150 nan 0.000 0.443 2379 M N -0.608 119.023 119.600 0.051 0.000 2.213 2379 M HA -0.120 4.364 4.480 0.008 0.000 0.263 2379 M C 2.483 178.889 176.300 0.177 0.000 1.062 2379 M CA 1.616 57.000 55.300 0.139 0.000 1.105 2379 M CB -0.329 32.326 32.600 0.092 0.000 1.385 2379 M HN 0.554 nan 8.290 nan 0.000 0.417 2380 S N 0.834 116.602 115.700 0.112 0.000 2.383 2380 S HA -0.061 4.414 4.470 0.008 0.000 0.227 2380 S C 1.744 176.444 174.600 0.166 0.000 1.026 2380 S CA 0.952 59.238 58.200 0.143 0.000 0.981 2380 S CB -0.105 63.134 63.200 0.066 0.000 0.818 2380 S HN 0.414 nan 8.310 nan 0.000 0.472 2381 L N 0.422 121.705 121.223 0.100 0.000 2.034 2381 L HA 0.070 4.415 4.340 0.008 0.000 0.203 2381 L C 2.475 179.496 176.870 0.252 0.000 1.074 2381 L CA 0.828 55.730 54.840 0.103 0.000 0.748 2381 L CB -0.736 41.343 42.059 0.034 0.000 0.905 2381 L HN 0.316 nan 8.230 nan 0.000 0.439 2382 L N -0.140 121.324 121.223 0.402 0.000 2.137 2382 L HA -0.289 4.056 4.340 0.008 0.000 0.213 2382 L C 2.217 179.308 176.870 0.370 0.000 1.085 2382 L CA 1.880 56.976 54.840 0.427 0.000 0.760 2382 L CB -0.612 41.727 42.059 0.467 0.000 0.893 2382 L HN 0.396 nan 8.230 nan 0.000 0.434 2383 W N -0.081 121.316 121.300 0.162 0.000 2.409 2383 W HA -0.154 4.511 4.660 0.009 0.000 0.299 2383 W C 1.852 178.449 176.519 0.130 0.000 1.203 2383 W CA 0.486 57.914 57.345 0.137 0.000 1.298 2383 W CB 0.083 29.590 29.460 0.079 0.000 1.127 2383 W HN -0.005 nan 8.180 nan 0.000 0.528 2384 K N 0.853 121.199 120.400 -0.090 0.000 2.442 2384 K HA -0.040 4.284 4.320 0.008 0.000 0.198 2384 K C 1.530 178.043 176.600 -0.145 0.000 1.042 2384 K CA 0.917 57.065 56.287 -0.232 0.000 0.958 2384 K CB -0.288 32.145 32.500 -0.112 0.000 0.766 2384 K HN 0.059 nan 8.250 nan 0.000 0.474 2385 S N 0.251 115.940 115.700 -0.019 0.000 2.605 2385 S HA 0.008 4.483 4.470 0.008 0.000 0.217 2385 S C 1.188 175.794 174.600 0.009 0.000 0.958 2385 S CA -0.448 57.785 58.200 0.055 0.000 0.919 2385 S CB -0.222 63.071 63.200 0.155 0.000 0.780 2385 S HN 0.265 nan 8.310 nan 0.000 0.507 2386 Y N 4.167 124.338 120.300 -0.215 0.000 2.096 2386 Y HA -0.200 4.354 4.550 0.008 0.000 0.278 2386 Y C -0.812 175.011 175.900 -0.128 0.000 1.192 2386 Y CA 1.912 59.892 58.100 -0.201 0.000 1.143 2386 Y CB -1.304 36.888 38.460 -0.447 0.000 0.963 2386 Y HN 0.254 nan 8.280 nan 0.000 0.505 2387 P HA -0.174 nan 4.420 nan 0.000 0.226 2387 P C 1.087 178.296 177.300 -0.152 0.000 1.146 2387 P CA 1.755 64.791 63.100 -0.107 0.000 0.773 2387 P CB -0.116 31.569 31.700 -0.025 0.000 0.772 2388 L N -1.088 120.047 121.223 -0.146 0.000 2.433 2388 L HA 0.053 4.397 4.340 0.008 0.000 0.200 2388 L C 2.531 179.253 176.870 -0.247 0.000 1.059 2388 L CA 0.523 55.265 54.840 -0.164 0.000 0.835 2388 L CB -0.595 41.412 42.059 -0.087 0.000 1.076 2388 L HN -0.198 nan 8.230 nan 0.000 0.481 2389 V N -5.306 114.466 119.914 -0.237 0.000 3.471 2389 V HA 0.112 4.237 4.120 0.008 0.000 0.258 2389 V C 1.214 177.182 176.094 -0.211 0.000 1.192 2389 V CA -0.319 61.838 62.300 -0.237 0.000 1.116 2389 V CB -0.107 31.596 31.823 -0.201 0.000 0.792 2389 V HN 0.538 nan 8.190 nan 0.000 0.459 2390 C N 1.006 120.072 119.300 -0.391 0.000 4.365 2390 C HA -0.170 4.295 4.460 0.008 0.000 0.299 2390 C C 0.600 175.547 174.990 -0.071 0.000 1.409 2390 C CA 0.249 58.876 59.018 -0.652 0.000 2.007 2390 C CB -2.952 24.465 27.740 -0.538 0.000 1.264 2390 C HN 0.682 nan 8.230 nan 0.000 0.777 2391 I N 1.289 122.031 120.570 0.286 0.000 2.325 2391 I HA 0.453 4.628 4.170 0.008 0.000 0.291 2391 I C 1.031 177.582 176.117 0.725 0.000 1.019 2391 I CA 0.141 61.783 61.300 0.571 0.000 1.302 2391 I CB 0.937 39.216 38.000 0.465 0.000 1.401 2391 I HN 0.461 nan 8.210 nan 0.000 0.485 2392 A N 6.370 129.556 122.820 0.609 0.000 2.561 2392 A HA -0.008 4.317 4.320 0.008 0.000 0.234 2392 A C 1.557 179.305 177.584 0.274 0.000 1.055 2392 A CA 0.091 52.404 52.037 0.459 0.000 0.756 2392 A CB 0.169 19.335 19.000 0.278 0.000 0.986 2392 A HN 0.947 nan 8.150 nan 0.000 0.505 2393 K N 1.085 121.476 120.400 -0.014 0.000 2.034 2393 K HA -0.262 4.062 4.320 0.008 0.000 0.214 2393 K C 1.983 178.474 176.600 -0.181 0.000 1.051 2393 K CA 2.276 58.293 56.287 -0.450 0.000 0.931 2393 K CB -0.206 31.633 32.500 -1.101 0.000 0.715 2393 K HN 0.935 nan 8.250 nan 0.000 0.446 2394 E N 0.655 120.781 120.200 -0.124 0.000 2.147 2394 E HA -0.257 4.098 4.350 0.008 0.000 0.199 2394 E C 1.938 178.533 176.600 -0.008 0.000 1.005 2394 E CA 1.610 57.972 56.400 -0.064 0.000 0.810 2394 E CB -0.546 29.132 29.700 -0.036 0.000 0.736 2394 E HN 0.430 nan 8.360 nan 0.000 0.460 2395 L N 0.382 121.632 121.223 0.045 0.000 2.313 2395 L HA -0.060 4.284 4.340 0.008 0.000 0.214 2395 L C 2.547 179.473 176.870 0.094 0.000 1.119 2395 L CA -0.042 54.833 54.840 0.058 0.000 0.809 2395 L CB -0.360 41.743 42.059 0.075 0.000 0.933 2395 L HN 0.085 nan 8.230 nan 0.000 0.449 2396 I N 0.864 121.511 120.570 0.129 0.000 2.091 2396 I HA -0.249 3.926 4.170 0.008 0.000 0.240 2396 I C 0.076 176.276 176.117 0.139 0.000 1.046 2396 I CA 2.243 63.648 61.300 0.174 0.000 1.306 2396 I CB -2.468 35.633 38.000 0.169 0.000 1.018 2396 I HN 0.190 nan 8.210 nan 0.000 0.404 2397 P HA -0.169 nan 4.420 nan 0.000 0.216 2397 P C 1.553 178.902 177.300 0.082 0.000 1.153 2397 P CA 1.578 64.719 63.100 0.069 0.000 0.858 2397 P CB -0.086 31.632 31.700 0.030 0.000 0.789 2398 E N -0.404 119.840 120.200 0.073 0.000 2.072 2398 E HA -0.126 4.229 4.350 0.008 0.000 0.191 2398 E C 2.116 178.808 176.600 0.154 0.000 0.985 2398 E CA 1.237 57.686 56.400 0.081 0.000 0.801 2398 E CB -0.644 29.076 29.700 0.032 0.000 0.750 2398 E HN 0.173 nan 8.360 nan 0.000 0.452 2399 A N 1.106 124.032 122.820 0.176 0.000 1.969 2399 A HA -0.125 4.200 4.320 0.008 0.000 0.218 2399 A C 2.332 180.084 177.584 0.280 0.000 1.169 2399 A CA 1.601 53.795 52.037 0.261 0.000 0.635 2399 A CB -0.645 18.565 19.000 0.350 0.000 0.810 2399 A HN 0.154 nan 8.150 nan 0.000 0.445 2400 T N -0.552 114.141 114.554 0.231 0.000 2.857 2400 T HA -0.082 4.273 4.350 0.008 0.000 0.266 2400 T C 1.862 176.667 174.700 0.176 0.000 1.048 2400 T CA 1.609 63.847 62.100 0.230 0.000 1.139 2400 T CB -0.115 68.869 68.868 0.194 0.000 0.874 2400 T HN 0.663 nan 8.240 nan 0.000 0.455 2401 E N 1.186 121.454 120.200 0.114 0.000 2.216 2401 E HA -0.048 4.307 4.350 0.008 0.000 0.192 2401 E C 2.031 178.636 176.600 0.008 0.000 0.988 2401 E CA 0.903 57.339 56.400 0.060 0.000 0.834 2401 E CB -0.078 29.645 29.700 0.038 0.000 0.772 2401 E HN 0.175 nan 8.360 nan 0.000 0.479 2402 K N -0.880 119.501 120.400 -0.030 0.000 2.148 2402 K HA -0.103 4.222 4.320 0.008 0.000 0.204 2402 K C 1.241 177.663 176.600 -0.297 0.000 1.050 2402 K CA 1.419 57.545 56.287 -0.268 0.000 0.942 2402 K CB -0.329 31.778 32.500 -0.656 0.000 0.724 2402 K HN 0.256 nan 8.250 nan 0.000 0.446 2403 Y N -0.525 119.697 120.300 -0.130 0.000 2.353 2403 Y HA 0.177 4.732 4.550 0.008 0.000 0.294 2403 Y C 1.692 177.601 175.900 0.015 0.000 1.135 2403 Y CA 0.808 58.881 58.100 -0.045 0.000 1.176 2403 Y CB 0.310 38.795 38.460 0.042 0.000 1.124 2403 Y HN -0.123 nan 8.280 nan 0.000 0.537 2404 L N -1.923 119.424 121.223 0.207 0.000 2.354 2404 L HA 0.206 4.551 4.340 0.008 0.000 0.212 2404 L C 2.243 179.158 176.870 0.075 0.000 1.091 2404 L CA 0.858 55.786 54.840 0.146 0.000 0.828 2404 L CB -0.979 41.176 42.059 0.161 0.000 0.973 2404 L HN 0.221 nan 8.230 nan 0.000 0.461 2405 G N 0.516 109.347 108.800 0.051 0.000 2.653 2405 G HA2 -0.104 3.861 3.960 0.008 0.000 0.212 2405 G HA3 -0.104 3.861 3.960 0.008 0.000 0.212 2405 G C 1.167 176.069 174.900 0.003 0.000 1.138 2405 G CA 0.607 45.721 45.100 0.023 0.000 0.782 2405 G HN 0.484 nan 8.290 nan 0.000 0.535 2406 G N -1.084 107.715 108.800 -0.003 0.000 3.609 2406 G HA2 0.439 4.404 3.960 0.008 0.000 0.280 2406 G HA3 0.439 4.404 3.960 0.008 0.000 0.280 2406 G C 0.064 174.965 174.900 0.002 0.000 1.155 2406 G CA 0.615 45.707 45.100 -0.014 0.000 0.876 2406 G HN 0.463 nan 8.290 nan 0.000 0.535 2407 T N -1.883 112.680 114.554 0.015 0.000 2.658 2407 T HA 0.380 4.735 4.350 0.008 0.000 0.305 2407 T C -1.149 173.566 174.700 0.025 0.000 1.551 2407 T CA -0.365 61.748 62.100 0.021 0.000 0.985 2407 T CB 1.463 70.350 68.868 0.031 0.000 1.731 2407 T HN -0.159 nan 8.240 nan 0.000 0.486 2408 D N 0.142 120.557 120.400 0.025 0.000 2.486 2408 D HA 0.186 4.830 4.640 0.008 0.000 0.243 2408 D C -0.422 175.894 176.300 0.027 0.000 1.146 2408 D CA -0.088 53.926 54.000 0.024 0.000 0.821 2408 D CB 0.477 41.288 40.800 0.017 0.000 1.201 2408 D HN 0.518 nan 8.370 nan 0.000 0.525 2409 D N 1.541 121.960 120.400 0.031 0.000 2.349 2409 D HA -0.045 4.600 4.640 0.008 0.000 0.266 2409 D C 1.541 177.866 176.300 0.042 0.000 1.293 2409 D CA 0.385 54.406 54.000 0.035 0.000 0.926 2409 D CB 0.968 41.790 40.800 0.037 0.000 1.090 2409 D HN 0.047 nan 8.370 nan 0.000 0.502 2410 T N 0.516 115.092 114.554 0.036 0.000 2.897 2410 T HA -0.162 4.193 4.350 0.008 0.000 0.271 2410 T C 1.883 176.613 174.700 0.050 0.000 1.084 2410 T CA 1.124 63.246 62.100 0.037 0.000 1.123 2410 T CB -0.207 68.677 68.868 0.027 0.000 0.865 2410 T HN 0.222 nan 8.240 nan 0.000 0.496 2411 V N 1.703 121.649 119.914 0.053 0.000 2.255 2411 V HA -0.081 4.044 4.120 0.008 0.000 0.243 2411 V C 2.754 178.898 176.094 0.083 0.000 1.038 2411 V CA 1.673 64.012 62.300 0.066 0.000 1.008 2411 V CB -0.543 31.314 31.823 0.057 0.000 0.645 2411 V HN 0.449 nan 8.190 nan 0.000 0.449 2412 K N 0.271 120.717 120.400 0.076 0.000 2.097 2412 K HA -0.171 4.153 4.320 0.008 0.000 0.206 2412 K C 2.196 178.865 176.600 0.114 0.000 1.049 2412 K CA 1.316 57.656 56.287 0.089 0.000 0.933 2412 K CB -0.241 32.302 32.500 0.071 0.000 0.717 2412 K HN 0.377 nan 8.250 nan 0.000 0.442 2413 K N 1.057 121.519 120.400 0.103 0.000 2.211 2413 K HA -0.157 4.168 4.320 0.008 0.000 0.204 2413 K C 2.121 178.822 176.600 0.168 0.000 1.047 2413 K CA 1.014 57.374 56.287 0.123 0.000 0.935 2413 K CB 0.028 32.577 32.500 0.082 0.000 0.728 2413 K HN 0.077 nan 8.250 nan 0.000 0.452 2414 K N 1.034 121.523 120.400 0.150 0.000 2.167 2414 K HA -0.132 4.193 4.320 0.008 0.000 0.203 2414 K C 0.944 177.705 176.600 0.269 0.000 1.052 2414 K CA 1.293 57.698 56.287 0.197 0.000 0.956 2414 K CB 0.213 32.801 32.500 0.146 0.000 0.735 2414 K HN 0.077 nan 8.250 nan 0.000 0.451 2415 D N 1.063 121.587 120.400 0.206 0.000 2.162 2415 D HA -0.083 4.561 4.640 0.008 0.000 0.203 2415 D C 2.030 178.453 176.300 0.205 0.000 0.967 2415 D CA 0.750 54.866 54.000 0.193 0.000 0.840 2415 D CB 0.033 40.923 40.800 0.149 0.000 0.972 2415 D HN 0.220 nan 8.370 nan 0.000 0.482 2416 L N 0.056 121.412 121.223 0.221 0.000 2.275 2416 L HA -0.096 4.249 4.340 0.008 0.000 0.215 2416 L C 2.266 179.300 176.870 0.273 0.000 1.119 2416 L CA 0.355 55.354 54.840 0.266 0.000 0.790 2416 L CB -0.264 41.947 42.059 0.254 0.000 0.919 2416 L HN -0.055 nan 8.230 nan 0.000 0.443 2417 F N 0.565 120.578 119.950 0.104 0.000 2.206 2417 F HA -0.137 4.395 4.527 0.008 0.000 0.298 2417 F C 2.038 177.820 175.800 -0.031 0.000 1.090 2417 F CA 1.313 59.336 58.000 0.038 0.000 1.323 2417 F CB -0.057 38.984 39.000 0.070 0.000 1.028 2417 F HN -0.115 nan 8.300 nan 0.000 0.492 2418 L N -0.331 120.886 121.223 -0.009 0.000 2.072 2418 L HA -0.172 4.173 4.340 0.008 0.000 0.205 2418 L C 2.174 178.965 176.870 -0.131 0.000 1.079 2418 L CA 1.190 55.972 54.840 -0.096 0.000 0.752 2418 L CB -0.876 41.277 42.059 0.157 0.000 0.906 2418 L HN 0.012 nan 8.230 nan 0.000 0.436 2419 D N 0.361 120.760 120.400 -0.002 0.000 2.123 2419 D HA -0.200 4.445 4.640 0.008 0.000 0.196 2419 D C 2.058 178.279 176.300 -0.132 0.000 0.992 2419 D CA 1.162 55.200 54.000 0.063 0.000 0.833 2419 D CB -0.270 40.678 40.800 0.247 0.000 0.954 2419 D HN 0.121 nan 8.370 nan 0.000 0.455 2420 L N 1.441 122.377 121.223 -0.478 0.000 1.963 2420 L HA -0.208 4.137 4.340 0.008 0.000 0.220 2420 L C 2.189 178.674 176.870 -0.641 0.000 1.076 2420 L CA 1.652 55.889 54.840 -1.006 0.000 0.772 2420 L CB -1.140 40.334 42.059 -0.974 0.000 0.892 2420 L HN 0.037 nan 8.230 nan 0.000 0.435 2421 I N -0.026 120.127 120.570 -0.696 0.000 2.163 2421 I HA -0.312 3.863 4.170 0.008 0.000 0.243 2421 I C 2.644 178.485 176.117 -0.460 0.000 1.085 2421 I CA 1.415 62.287 61.300 -0.713 0.000 1.347 2421 I CB -0.866 36.423 38.000 -1.185 0.000 1.044 2421 I HN 0.442 nan 8.210 nan 0.000 0.408 2422 A N 0.416 123.092 122.820 -0.240 0.000 1.972 2422 A HA -0.228 4.097 4.320 0.008 0.000 0.219 2422 A C 1.948 179.543 177.584 0.018 0.000 1.169 2422 A CA 1.980 54.057 52.037 0.067 0.000 0.635 2422 A CB -0.529 18.587 19.000 0.193 0.000 0.810 2422 A HN 0.362 nan 8.150 nan 0.000 0.446 2423 D N -0.316 120.036 120.400 -0.081 0.000 2.117 2423 D HA -0.088 4.556 4.640 0.008 0.000 0.198 2423 D C 2.037 178.177 176.300 -0.267 0.000 0.982 2423 D CA 1.428 55.394 54.000 -0.057 0.000 0.828 2423 D CB -0.324 40.544 40.800 0.113 0.000 0.967 2423 D HN 0.225 nan 8.370 nan 0.000 0.464 2424 V N 0.680 120.290 119.914 -0.506 0.000 2.515 2424 V HA -0.172 3.953 4.120 0.008 0.000 0.250 2424 V C 2.316 178.156 176.094 -0.422 0.000 1.058 2424 V CA 1.219 63.154 62.300 -0.609 0.000 1.064 2424 V CB -0.266 31.114 31.823 -0.738 0.000 0.675 2424 V HN 0.185 nan 8.190 nan 0.000 0.461 2425 M N -2.054 117.288 119.600 -0.429 0.000 2.429 2425 M HA 0.141 4.625 4.480 0.008 0.000 0.265 2425 M C 1.716 177.570 176.300 -0.743 0.000 1.120 2425 M CA 1.838 56.755 55.300 -0.639 0.000 1.173 2425 M CB 0.050 32.141 32.600 -0.848 0.000 1.343 2425 M HN 0.316 nan 8.290 nan 0.000 0.464 2426 F N -1.563 118.346 119.950 -0.069 0.000 2.531 2426 F HA 0.355 4.886 4.527 0.008 0.000 0.273 2426 F C 2.342 178.111 175.800 -0.052 0.000 0.960 2426 F CA 0.175 58.153 58.000 -0.036 0.000 1.207 2426 F CB -1.111 37.905 39.000 0.028 0.000 1.012 2426 F HN 0.048 nan 8.300 nan 0.000 0.738 2427 G N 1.107 109.999 108.800 0.153 0.000 2.639 2427 G HA2 -0.235 3.730 3.960 0.008 0.000 0.216 2427 G HA3 -0.235 3.730 3.960 0.008 0.000 0.216 2427 G C 1.664 176.581 174.900 0.030 0.000 1.267 2427 G CA 1.903 47.049 45.100 0.076 0.000 0.801 2427 G HN 0.155 nan 8.290 nan 0.000 0.592 2428 V N 2.200 122.125 119.914 0.019 0.000 2.343 2428 V HA -0.095 4.030 4.120 0.008 0.000 0.247 2428 V C 0.291 176.387 176.094 0.004 0.000 1.051 2428 V CA 2.177 64.501 62.300 0.041 0.000 1.036 2428 V CB -1.238 30.627 31.823 0.070 0.000 0.654 2428 V HN 0.308 nan 8.190 nan 0.000 0.451 2429 P HA -0.088 nan 4.420 nan 0.000 0.216 2429 P C 1.984 179.253 177.300 -0.051 0.000 1.150 2429 P CA 1.638 64.703 63.100 -0.059 0.000 0.837 2429 P CB -0.049 31.585 31.700 -0.110 0.000 0.786 2430 S N -0.661 115.007 115.700 -0.052 0.000 2.348 2430 S HA -0.111 4.364 4.470 0.008 0.000 0.221 2430 S C 2.021 176.532 174.600 -0.148 0.000 1.033 2430 S CA 1.233 59.371 58.200 -0.103 0.000 1.010 2430 S CB -1.313 61.827 63.200 -0.099 0.000 0.891 2430 S HN -0.050 nan 8.310 nan 0.000 0.442 2431 V N 2.085 121.933 119.914 -0.110 0.000 2.490 2431 V HA -0.165 3.960 4.120 0.008 0.000 0.250 2431 V C 1.966 178.042 176.094 -0.029 0.000 1.061 2431 V CA 1.379 63.618 62.300 -0.103 0.000 1.064 2431 V CB -0.693 31.121 31.823 -0.015 0.000 0.670 2431 V HN 0.430 nan 8.190 nan 0.000 0.461 2432 I N -0.788 119.780 120.570 -0.004 0.000 2.163 2432 I HA -0.189 3.986 4.170 0.008 0.000 0.240 2432 I C 2.378 178.506 176.117 0.018 0.000 1.081 2432 I CA 1.262 62.580 61.300 0.030 0.000 1.353 2432 I CB -0.470 37.549 38.000 0.031 0.000 1.054 2432 I HN 0.116 nan 8.210 nan 0.000 0.407 2433 V N 1.201 121.101 119.914 -0.023 0.000 2.392 2433 V HA -0.320 3.804 4.120 0.008 0.000 0.249 2433 V C 2.709 178.775 176.094 -0.047 0.000 1.059 2433 V CA 2.025 64.315 62.300 -0.017 0.000 1.051 2433 V CB -1.039 30.748 31.823 -0.059 0.000 0.658 2433 V HN 0.506 nan 8.190 nan 0.000 0.455 2434 A N -0.178 122.545 122.820 -0.162 0.000 1.877 2434 A HA -0.237 4.087 4.320 0.008 0.000 0.216 2434 A C 2.381 179.996 177.584 0.051 0.000 1.186 2434 A CA 1.927 53.830 52.037 -0.223 0.000 0.620 2434 A CB -0.512 18.173 19.000 -0.525 0.000 0.822 2434 A HN 0.494 nan 8.150 nan 0.000 0.443 2435 R N -0.432 120.145 120.500 0.128 0.000 2.080 2435 R HA -0.170 4.175 4.340 0.008 0.000 0.236 2435 R C 2.037 178.435 176.300 0.163 0.000 1.137 2435 R CA 1.882 58.121 56.100 0.232 0.000 0.943 2435 R CB -0.514 29.899 30.300 0.189 0.000 0.846 2435 R HN 0.635 nan 8.270 nan 0.000 0.431 2436 N N -0.530 118.253 118.700 0.138 0.000 2.149 2436 N HA -0.193 4.552 4.740 0.008 0.000 0.188 2436 N C 1.618 177.232 175.510 0.174 0.000 1.019 2436 N CA 1.346 54.479 53.050 0.138 0.000 0.857 2436 N CB -0.242 38.332 38.487 0.145 0.000 0.997 2436 N HN 0.300 nan 8.380 nan 0.000 0.426 2437 H N 0.870 120.014 119.070 0.122 0.000 2.326 2437 H HA 0.051 4.612 4.556 0.008 0.000 0.301 2437 H C 2.220 177.608 175.328 0.099 0.000 1.081 2437 H CA 1.625 57.766 56.048 0.155 0.000 1.334 2437 H CB 0.053 29.927 29.762 0.186 0.000 1.385 2437 H HN 0.057 nan 8.280 nan 0.000 0.504 2438 R N 0.397 120.993 120.500 0.160 0.000 2.097 2438 R HA -0.164 4.181 4.340 0.008 0.000 0.236 2438 R C 1.491 177.784 176.300 -0.011 0.000 1.135 2438 R CA 2.216 58.361 56.100 0.075 0.000 0.934 2438 R CB -0.389 30.005 30.300 0.157 0.000 0.846 2438 R HN 0.404 nan 8.270 nan 0.000 0.431 2439 D N 0.401 120.812 120.400 0.019 0.000 2.190 2439 D HA -0.159 4.486 4.640 0.008 0.000 0.200 2439 D C 1.592 177.858 176.300 -0.057 0.000 0.992 2439 D CA 1.457 55.450 54.000 -0.012 0.000 0.854 2439 D CB -0.238 40.572 40.800 0.016 0.000 0.936 2439 D HN 0.477 nan 8.370 nan 0.000 0.462 2440 A N 0.264 123.031 122.820 -0.089 0.000 2.216 2440 A HA 0.281 4.606 4.320 0.008 0.000 0.214 2440 A C 1.348 178.806 177.584 -0.210 0.000 1.160 2440 A CA 1.103 53.034 52.037 -0.176 0.000 0.725 2440 A CB -0.459 18.390 19.000 -0.252 0.000 0.784 2440 A HN 0.289 nan 8.150 nan 0.000 0.472 2441 G N -1.659 107.040 108.800 -0.169 0.000 2.788 2441 G HA2 0.425 4.389 3.960 0.008 0.000 0.249 2441 G HA3 0.425 4.389 3.960 0.008 0.000 0.249 2441 G C -0.213 174.569 174.900 -0.197 0.000 1.008 2441 G CA 0.069 45.080 45.100 -0.149 0.000 1.220 2441 G HN 2.045 nan 8.290 nan 0.000 0.506 2442 A N 3.487 126.192 122.820 -0.191 0.000 2.585 2442 A HA 0.809 5.134 4.320 0.008 0.000 0.299 2442 A C -2.923 174.635 177.584 -0.043 0.000 1.047 2442 A CA -0.762 51.163 52.037 -0.187 0.000 0.723 2442 A CB 1.191 19.922 19.000 -0.447 0.000 1.275 2442 A HN 0.561 nan 8.150 nan 0.000 0.408 2443 P HA 0.254 nan 4.420 nan 0.000 0.260 2443 P C -0.339 177.112 177.300 0.251 0.000 1.172 2443 P CA 1.050 64.230 63.100 0.135 0.000 0.760 2443 P CB 0.490 32.324 31.700 0.224 0.000 0.773 2444 T N 3.047 117.605 114.554 0.007 0.000 2.933 2444 T HA 0.570 4.925 4.350 0.008 0.000 0.305 2444 T C -1.149 173.329 174.700 -0.369 0.000 1.092 2444 T CA -0.328 61.803 62.100 0.051 0.000 1.008 2444 T CB 0.898 69.882 68.868 0.194 0.000 1.102 2444 T HN 0.109 nan 8.240 nan 0.000 0.469 2445 Y N 0.838 121.103 120.300 -0.057 0.000 2.562 2445 Y HA 0.754 5.309 4.550 0.008 0.000 0.345 2445 Y C -0.108 175.744 175.900 -0.080 0.000 1.045 2445 Y CA -1.166 56.867 58.100 -0.111 0.000 1.028 2445 Y CB 2.182 40.304 38.460 -0.563 0.000 1.297 2445 Y HN 0.372 nan 8.280 nan 0.000 0.463 2446 M N 2.260 122.070 119.600 0.350 0.000 2.631 2446 M HA 0.552 5.037 4.480 0.008 0.000 0.288 2446 M C -1.743 174.871 176.300 0.524 0.000 1.260 2446 M CA -0.957 54.446 55.300 0.171 0.000 0.842 2446 M CB 3.637 36.134 32.600 -0.172 0.000 1.743 2446 M HN 0.787 nan 8.290 nan 0.000 0.461 2447 Y N -1.691 118.767 120.300 0.262 0.000 2.641 2447 Y HA 0.689 5.244 4.550 0.008 0.000 0.333 2447 Y C -1.793 174.227 175.900 0.200 0.000 1.174 2447 Y CA -0.974 57.261 58.100 0.224 0.000 1.057 2447 Y CB 1.482 40.026 38.460 0.140 0.000 1.322 2447 Y HN 0.683 nan 8.280 nan 0.000 0.457 2448 E N 2.438 122.961 120.200 0.539 0.000 2.224 2448 E HA 0.369 4.724 4.350 0.008 0.000 0.265 2448 E C -2.251 174.636 176.600 0.478 0.000 0.878 2448 E CA -0.920 55.725 56.400 0.408 0.000 0.759 2448 E CB 1.722 31.595 29.700 0.287 0.000 1.164 2448 E HN 0.641 nan 8.360 nan 0.000 0.414 2449 F N 3.916 124.072 119.950 0.343 0.000 2.404 2449 F HA 0.261 4.793 4.527 0.009 0.000 0.354 2449 F C -0.384 175.523 175.800 0.178 0.000 1.122 2449 F CA -0.316 57.818 58.000 0.223 0.000 1.080 2449 F CB 1.164 40.296 39.000 0.220 0.000 1.131 2449 F HN 0.412 nan 8.300 nan 0.000 0.471 2450 Q N 7.236 126.883 119.800 -0.255 0.000 2.771 2450 Q HA 0.269 4.614 4.340 0.008 0.000 0.247 2450 Q C -2.310 173.567 176.000 -0.205 0.000 0.986 2450 Q CA -0.570 55.169 55.803 -0.107 0.000 0.713 2450 Q CB 0.838 29.570 28.738 -0.010 0.000 1.241 2450 Q HN 0.806 nan 8.270 nan 0.000 0.488 2451 Y N 0.836 120.923 120.300 -0.355 0.000 2.558 2451 Y HA 0.400 4.955 4.550 0.008 0.000 0.333 2451 Y C -1.817 174.102 175.900 0.031 0.000 1.125 2451 Y CA -0.916 57.037 58.100 -0.244 0.000 1.039 2451 Y CB 1.675 39.851 38.460 -0.475 0.000 1.331 2451 Y HN 0.481 nan 8.280 nan 0.000 0.456 2452 R N 7.016 127.186 120.500 -0.550 0.000 2.272 2452 R HA 0.460 4.805 4.340 0.008 0.000 0.323 2452 R C -2.808 173.234 176.300 -0.431 0.000 1.002 2452 R CA -1.998 53.917 56.100 -0.309 0.000 0.900 2452 R CB 0.818 30.953 30.300 -0.275 0.000 1.151 2452 R HN 0.407 nan 8.270 nan 0.000 0.507 2453 P HA -0.010 nan 4.420 nan 0.000 0.271 2453 P C 0.155 177.209 177.300 -0.410 0.000 1.216 2453 P CA -0.010 62.994 63.100 -0.160 0.000 0.776 2453 P CB 1.444 33.118 31.700 -0.044 0.000 0.881 2454 S N 1.090 116.440 115.700 -0.584 0.000 2.653 2454 S HA -0.028 4.447 4.470 0.008 0.000 0.233 2454 S C 0.918 175.152 174.600 -0.610 0.000 0.970 2454 S CA 0.269 58.125 58.200 -0.573 0.000 0.947 2454 S CB -1.249 61.605 63.200 -0.577 0.000 0.771 2454 S HN 0.429 nan 8.310 nan 0.000 0.538 2455 F N 1.453 121.121 119.950 -0.470 0.000 2.664 2455 F HA 0.345 4.877 4.527 0.008 0.000 0.303 2455 F C 1.247 176.777 175.800 -0.450 0.000 1.092 2455 F CA -0.707 56.949 58.000 -0.574 0.000 1.305 2455 F CB 0.148 38.449 39.000 -1.165 0.000 1.054 2455 F HN 0.096 nan 8.300 nan 0.000 0.565 2456 S N -0.038 115.529 115.700 -0.221 0.000 2.600 2456 S HA 0.096 4.570 4.470 0.008 0.000 0.265 2456 S C 0.502 175.050 174.600 -0.087 0.000 1.325 2456 S CA -0.575 57.570 58.200 -0.091 0.000 1.002 2456 S CB 1.122 64.237 63.200 -0.142 0.000 0.921 2456 S HN 0.199 nan 8.310 nan 0.000 0.554 2457 S N 0.060 115.704 115.700 -0.093 0.000 2.576 2457 S HA -0.002 4.473 4.470 0.008 0.000 0.272 2457 S C 0.723 175.208 174.600 -0.192 0.000 1.352 2457 S CA -0.394 57.747 58.200 -0.100 0.000 1.021 2457 S CB 0.107 63.275 63.200 -0.053 0.000 0.887 2457 S HN 0.647 nan 8.310 nan 0.000 0.542 2458 D N 2.265 122.598 120.400 -0.111 0.000 2.317 2458 D HA 0.010 4.655 4.640 0.008 0.000 0.211 2458 D C 1.398 177.616 176.300 -0.136 0.000 0.966 2458 D CA 0.976 54.908 54.000 -0.113 0.000 0.876 2458 D CB -0.014 40.754 40.800 -0.054 0.000 0.927 2458 D HN 0.588 nan 8.370 nan 0.000 0.519 2459 M N 0.196 119.719 119.600 -0.128 0.000 2.618 2459 M HA 0.013 4.498 4.480 0.008 0.000 0.240 2459 M C 0.911 177.022 176.300 -0.314 0.000 1.123 2459 M CA 0.316 55.582 55.300 -0.057 0.000 1.060 2459 M CB 0.183 32.900 32.600 0.196 0.000 1.535 2459 M HN -0.275 nan 8.290 nan 0.000 0.507 2460 K N 3.446 123.390 120.400 -0.760 0.000 2.267 2460 K HA 0.255 4.580 4.320 0.008 0.000 0.282 2460 K C -2.300 173.977 176.600 -0.538 0.000 1.078 2460 K CA -1.795 53.761 56.287 -1.219 0.000 0.903 2460 K CB 0.817 32.488 32.500 -1.382 0.000 1.111 2460 K HN -0.092 nan 8.250 nan 0.000 0.475 2461 P HA -0.094 nan 4.420 nan 0.000 0.264 2461 P C -0.260 176.944 177.300 -0.159 0.000 1.183 2461 P CA 0.196 63.197 63.100 -0.163 0.000 0.763 2461 P CB 0.688 32.353 31.700 -0.057 0.000 0.807 2462 K N 1.309 121.632 120.400 -0.129 0.000 2.442 2462 K HA -0.142 4.183 4.320 0.008 0.000 0.200 2462 K C 1.142 177.685 176.600 -0.096 0.000 1.045 2462 K CA 1.825 58.038 56.287 -0.124 0.000 0.937 2462 K CB -0.972 31.464 32.500 -0.106 0.000 0.757 2462 K HN 0.479 nan 8.250 nan 0.000 0.474 2463 T N -1.747 112.769 114.554 -0.064 0.000 3.067 2463 T HA 0.092 4.446 4.350 0.008 0.000 0.261 2463 T C 0.736 175.429 174.700 -0.013 0.000 1.110 2463 T CA -0.179 61.903 62.100 -0.031 0.000 1.113 2463 T CB -0.048 68.820 68.868 0.000 0.000 0.917 2463 T HN 0.004 nan 8.240 nan 0.000 0.499 2464 V N 2.867 122.769 119.914 -0.021 0.000 2.387 2464 V HA 0.340 4.464 4.120 0.008 0.000 0.260 2464 V C -0.232 175.868 176.094 0.010 0.000 1.054 2464 V CA -0.677 61.639 62.300 0.026 0.000 0.967 2464 V CB -0.379 31.476 31.823 0.053 0.000 1.036 2464 V HN 0.332 nan 8.190 nan 0.000 0.481 2465 I N 3.749 124.338 120.570 0.032 0.000 2.412 2465 I HA 0.671 4.846 4.170 0.008 0.000 0.296 2465 I C 1.042 177.219 176.117 0.100 0.000 0.987 2465 I CA 0.065 61.376 61.300 0.019 0.000 1.180 2465 I CB 1.350 39.341 38.000 -0.015 0.000 1.340 2465 I HN 0.760 nan 8.210 nan 0.000 0.455 2466 G N 3.615 112.509 108.800 0.157 0.000 2.273 2466 G HA2 -0.249 3.716 3.960 0.008 0.000 0.280 2466 G HA3 -0.249 3.716 3.960 0.008 0.000 0.280 2466 G C 0.204 175.263 174.900 0.265 0.000 1.047 2466 G CA 0.253 45.526 45.100 0.287 0.000 0.869 2466 G HN 0.675 nan 8.290 nan 0.000 0.502 2467 D N -0.699 119.848 120.400 0.245 0.000 2.372 2467 D HA 0.256 4.900 4.640 0.008 0.000 0.243 2467 D C 0.945 177.389 176.300 0.241 0.000 1.297 2467 D CA -0.342 53.811 54.000 0.255 0.000 0.958 2467 D CB 0.298 41.276 40.800 0.296 0.000 1.114 2467 D HN 0.419 nan 8.370 nan 0.000 0.496 2468 H N -1.158 118.002 119.070 0.150 0.000 2.964 2468 H HA 0.335 4.896 4.556 0.008 0.000 0.328 2468 H C 1.267 176.698 175.328 0.172 0.000 1.030 2468 H CA 1.594 57.689 56.048 0.078 0.000 1.445 2468 H CB 0.263 30.046 29.762 0.035 0.000 1.449 2468 H HN 0.542 nan 8.280 nan 0.000 0.581 2469 G N 4.078 112.588 108.800 -0.485 0.000 2.184 2469 G HA2 -0.363 3.602 3.960 0.008 0.000 0.264 2469 G HA3 -0.363 3.602 3.960 0.008 0.000 0.264 2469 G C 1.106 175.887 174.900 -0.199 0.000 0.975 2469 G CA 0.636 45.467 45.100 -0.448 0.000 0.642 2469 G HN 0.680 nan 8.290 nan 0.000 0.536 2470 D N 0.850 121.264 120.400 0.024 0.000 2.178 2470 D HA -0.030 4.615 4.640 0.008 0.000 0.201 2470 D C 2.374 178.655 176.300 -0.032 0.000 0.980 2470 D CA 1.370 55.514 54.000 0.239 0.000 0.842 2470 D CB -0.037 40.996 40.800 0.389 0.000 0.948 2470 D HN 0.698 nan 8.370 nan 0.000 0.472 2471 E N 0.916 120.734 120.200 -0.637 0.000 2.511 2471 E HA -0.103 4.252 4.350 0.008 0.000 0.196 2471 E C 1.812 178.094 176.600 -0.530 0.000 1.066 2471 E CA 0.186 55.889 56.400 -1.161 0.000 0.871 2471 E CB -0.456 28.444 29.700 -1.333 0.000 0.863 2471 E HN 0.347 nan 8.360 nan 0.000 0.520 2472 L N -0.462 120.541 121.223 -0.366 0.000 2.109 2472 L HA -0.028 4.317 4.340 0.008 0.000 0.207 2472 L C 2.276 179.001 176.870 -0.243 0.000 1.086 2472 L CA 0.988 55.641 54.840 -0.311 0.000 0.760 2472 L CB -0.531 41.240 42.059 -0.479 0.000 0.910 2472 L HN 0.002 nan 8.230 nan 0.000 0.437 2473 F N -0.230 119.696 119.950 -0.040 0.000 2.171 2473 F HA -0.192 4.340 4.527 0.009 0.000 0.300 2473 F C 2.702 178.509 175.800 0.012 0.000 1.090 2473 F CA 1.249 59.261 58.000 0.020 0.000 1.293 2473 F CB -0.528 38.612 39.000 0.234 0.000 1.013 2473 F HN -0.029 nan 8.300 nan 0.000 0.486 2474 S N -0.120 115.649 115.700 0.115 0.000 2.357 2474 S HA -0.113 4.362 4.470 0.008 0.000 0.221 2474 S C 2.302 176.777 174.600 -0.209 0.000 1.031 2474 S CA 1.057 59.245 58.200 -0.019 0.000 0.982 2474 S CB -0.486 62.684 63.200 -0.050 0.000 0.853 2474 S HN 0.108 nan 8.310 nan 0.000 0.458 2475 V N 0.818 120.484 119.914 -0.412 0.000 2.287 2475 V HA -0.153 3.972 4.120 0.008 0.000 0.248 2475 V C 1.413 177.143 176.094 -0.608 0.000 1.053 2475 V CA 1.664 63.557 62.300 -0.678 0.000 1.027 2475 V CB -0.701 30.619 31.823 -0.838 0.000 0.646 2475 V HN 0.472 nan 8.190 nan 0.000 0.447 2476 F N 0.443 120.233 119.950 -0.266 0.000 2.645 2476 F HA 0.467 4.999 4.527 0.008 0.000 0.300 2476 F C 1.634 177.371 175.800 -0.104 0.000 1.115 2476 F CA 0.415 58.285 58.000 -0.217 0.000 1.355 2476 F CB -0.418 38.405 39.000 -0.295 0.000 1.026 2476 F HN 0.236 nan 8.300 nan 0.000 0.536 2477 G N 0.980 109.831 108.800 0.086 0.000 2.366 2477 G HA2 -0.296 3.668 3.960 0.008 0.000 0.299 2477 G HA3 -0.296 3.668 3.960 0.008 0.000 0.299 2477 G C 1.284 176.341 174.900 0.262 0.000 1.020 2477 G CA 0.320 45.591 45.100 0.284 0.000 1.026 2477 G HN 0.594 nan 8.290 nan 0.000 0.512 2478 A N 0.183 123.060 122.820 0.095 0.000 1.948 2478 A HA 0.042 4.367 4.320 0.008 0.000 0.220 2478 A C 0.584 178.095 177.584 -0.120 0.000 1.177 2478 A CA 2.089 54.045 52.037 -0.134 0.000 0.636 2478 A CB -0.768 17.994 19.000 -0.397 0.000 0.815 2478 A HN 0.484 nan 8.150 nan 0.000 0.449 2479 P HA -0.081 nan 4.420 nan 0.000 0.234 2479 P C 0.149 177.141 177.300 -0.514 0.000 1.162 2479 P CA 0.901 63.895 63.100 -0.176 0.000 0.759 2479 P CB -0.151 31.325 31.700 -0.374 0.000 0.813 2480 F N -3.388 116.621 119.950 0.097 0.000 2.706 2480 F HA 0.274 4.806 4.527 0.008 0.000 0.313 2480 F C 1.553 177.397 175.800 0.073 0.000 1.096 2480 F CA 0.056 58.121 58.000 0.109 0.000 1.219 2480 F CB -0.109 38.979 39.000 0.147 0.000 1.051 2480 F HN -0.201 nan 8.300 nan 0.000 0.568 2481 L N -1.069 120.243 121.223 0.148 0.000 2.547 2481 L HA 0.258 4.603 4.340 0.008 0.000 0.218 2481 L C 0.790 177.679 176.870 0.033 0.000 1.048 2481 L CA 0.320 55.209 54.840 0.080 0.000 0.859 2481 L CB 0.174 42.251 42.059 0.031 0.000 1.128 2481 L HN -0.156 nan 8.230 nan 0.000 0.483 2482 K N 0.523 120.921 120.400 -0.004 0.000 2.267 2482 K HA 0.304 4.629 4.320 0.008 0.000 0.236 2482 K C -0.327 176.336 176.600 0.105 0.000 1.030 2482 K CA -0.604 55.701 56.287 0.031 0.000 0.930 2482 K CB 1.164 33.645 32.500 -0.032 0.000 1.182 2482 K HN -0.009 nan 8.250 nan 0.000 0.474 2483 E N -1.197 119.080 120.200 0.128 0.000 2.355 2483 E HA 0.405 4.760 4.350 0.008 0.000 0.261 2483 E C 0.178 176.835 176.600 0.096 0.000 0.943 2483 E CA -0.905 55.551 56.400 0.093 0.000 0.806 2483 E CB 1.439 31.173 29.700 0.057 0.000 1.286 2483 E HN 0.646 nan 8.360 nan 0.000 0.424 2484 G N -0.633 108.184 108.800 0.027 0.000 2.162 2484 G HA2 -0.255 3.710 3.960 0.008 0.000 0.260 2484 G HA3 -0.255 3.710 3.960 0.008 0.000 0.260 2484 G C 0.338 175.179 174.900 -0.097 0.000 0.976 2484 G CA 0.175 45.258 45.100 -0.028 0.000 0.655 2484 G HN 0.874 nan 8.290 nan 0.000 0.533 2485 A N 0.332 123.106 122.820 -0.077 0.000 2.388 2485 A HA 0.747 5.072 4.320 0.008 0.000 0.257 2485 A C 1.051 178.561 177.584 -0.125 0.000 1.095 2485 A CA 0.840 52.778 52.037 -0.166 0.000 0.791 2485 A CB 0.411 19.371 19.000 -0.066 0.000 1.029 2485 A HN 1.816 nan 8.150 nan 0.000 0.489 2486 S N 0.890 116.511 115.700 -0.133 0.000 2.624 2486 S HA 0.216 4.691 4.470 0.008 0.000 0.263 2486 S C 0.784 175.344 174.600 -0.066 0.000 1.287 2486 S CA 0.133 58.284 58.200 -0.082 0.000 0.990 2486 S CB 0.747 63.908 63.200 -0.065 0.000 0.950 2486 S HN 0.749 nan 8.310 nan 0.000 0.561 2487 E N 0.392 120.565 120.200 -0.045 0.000 2.208 2487 E HA -0.104 4.251 4.350 0.008 0.000 0.193 2487 E C 1.842 178.421 176.600 -0.036 0.000 0.988 2487 E CA 1.286 57.665 56.400 -0.035 0.000 0.828 2487 E CB -0.234 29.454 29.700 -0.019 0.000 0.763 2487 E HN 0.811 nan 8.360 nan 0.000 0.478 2488 E N 0.312 120.495 120.200 -0.028 0.000 2.047 2488 E HA -0.233 4.122 4.350 0.008 0.000 0.191 2488 E C 1.890 178.449 176.600 -0.069 0.000 0.987 2488 E CA 1.194 57.580 56.400 -0.025 0.000 0.799 2488 E CB -0.103 29.612 29.700 0.026 0.000 0.752 2488 E HN 0.324 nan 8.360 nan 0.000 0.449 2489 E N 0.168 120.342 120.200 -0.043 0.000 2.153 2489 E HA -0.156 4.199 4.350 0.008 0.000 0.194 2489 E C 2.127 178.662 176.600 -0.109 0.000 0.988 2489 E CA 0.912 57.261 56.400 -0.085 0.000 0.811 2489 E CB 0.006 29.690 29.700 -0.027 0.000 0.746 2489 E HN 0.375 nan 8.360 nan 0.000 0.466 2490 I N 0.365 120.869 120.570 -0.109 0.000 2.315 2490 I HA -0.245 3.930 4.170 0.008 0.000 0.248 2490 I C 2.469 178.564 176.117 -0.036 0.000 1.117 2490 I CA 0.863 62.079 61.300 -0.140 0.000 1.404 2490 I CB -0.290 37.625 38.000 -0.142 0.000 1.071 2490 I HN 0.096 nan 8.210 nan 0.000 0.419 2491 R N 0.473 120.949 120.500 -0.039 0.000 2.075 2491 R HA -0.186 4.158 4.340 0.008 0.000 0.230 2491 R C 2.285 178.548 176.300 -0.061 0.000 1.140 2491 R CA 1.220 57.304 56.100 -0.028 0.000 0.928 2491 R CB -0.917 29.357 30.300 -0.044 0.000 0.834 2491 R HN 0.158 nan 8.270 nan 0.000 0.429 2492 L N 1.242 122.390 121.223 -0.126 0.000 2.026 2492 L HA -0.345 4.000 4.340 0.008 0.000 0.231 2492 L C 2.401 179.212 176.870 -0.098 0.000 1.095 2492 L CA 2.386 57.123 54.840 -0.172 0.000 0.810 2492 L CB -1.211 40.629 42.059 -0.365 0.000 0.909 2492 L HN 0.193 nan 8.230 nan 0.000 0.444 2493 S N -1.260 114.405 115.700 -0.058 0.000 2.365 2493 S HA -0.273 4.202 4.470 0.008 0.000 0.225 2493 S C 2.021 176.610 174.600 -0.018 0.000 1.039 2493 S CA 1.928 60.127 58.200 -0.002 0.000 1.033 2493 S CB -0.280 62.978 63.200 0.098 0.000 0.887 2493 S HN 0.609 nan 8.310 nan 0.000 0.447 2494 K N 0.213 120.620 120.400 0.011 0.000 2.097 2494 K HA -0.049 4.276 4.320 0.008 0.000 0.206 2494 K C 2.341 178.880 176.600 -0.102 0.000 1.049 2494 K CA 1.466 57.709 56.287 -0.073 0.000 0.933 2494 K CB -0.262 32.234 32.500 -0.007 0.000 0.717 2494 K HN 0.461 nan 8.250 nan 0.000 0.442 2495 M N 0.799 120.333 119.600 -0.111 0.000 2.077 2495 M HA -0.174 4.311 4.480 0.008 0.000 0.261 2495 M C 2.036 178.244 176.300 -0.154 0.000 1.070 2495 M CA 1.579 56.755 55.300 -0.206 0.000 1.125 2495 M CB 0.036 32.530 32.600 -0.176 0.000 1.339 2495 M HN -0.054 nan 8.290 nan 0.000 0.409 2496 V N 0.984 120.881 119.914 -0.027 0.000 2.295 2496 V HA -0.338 3.787 4.120 0.008 0.000 0.246 2496 V C 2.451 178.576 176.094 0.053 0.000 1.049 2496 V CA 2.075 64.402 62.300 0.046 0.000 1.024 2496 V CB -0.720 30.934 31.823 -0.283 0.000 0.648 2496 V HN 0.556 nan 8.190 nan 0.000 0.447 2497 M N -0.382 119.160 119.600 -0.095 0.000 2.106 2497 M HA -0.276 4.209 4.480 0.008 0.000 0.259 2497 M C 2.359 178.703 176.300 0.073 0.000 1.068 2497 M CA 2.190 57.450 55.300 -0.068 0.000 1.100 2497 M CB -0.557 31.955 32.600 -0.146 0.000 1.351 2497 M HN 0.235 nan 8.290 nan 0.000 0.404 2498 K N 0.252 120.669 120.400 0.030 0.000 2.097 2498 K HA -0.096 4.229 4.320 0.008 0.000 0.205 2498 K C 1.668 178.376 176.600 0.181 0.000 1.050 2498 K CA 1.389 57.703 56.287 0.044 0.000 0.938 2498 K CB -0.150 32.310 32.500 -0.067 0.000 0.718 2498 K HN 0.197 nan 8.250 nan 0.000 0.442 2499 F N -0.570 119.531 119.950 0.251 0.000 2.075 2499 F HA -0.254 4.278 4.527 0.008 0.000 0.297 2499 F C 2.290 178.261 175.800 0.284 0.000 1.113 2499 F CA 0.661 58.857 58.000 0.326 0.000 1.218 2499 F CB -0.191 39.157 39.000 0.582 0.000 0.984 2499 F HN 0.220 nan 8.300 nan 0.000 0.472 2500 W N 0.159 121.583 121.300 0.207 0.000 2.338 2500 W HA -0.263 4.401 4.660 0.007 0.000 0.304 2500 W C 2.562 179.096 176.519 0.025 0.000 1.212 2500 W CA 1.203 58.578 57.345 0.050 0.000 1.264 2500 W CB -0.564 28.854 29.460 -0.070 0.000 1.142 2500 W HN 0.017 nan 8.180 nan 0.000 0.512 2501 A N 0.222 123.181 122.820 0.232 0.000 1.929 2501 A HA -0.169 4.156 4.320 0.008 0.000 0.216 2501 A C 1.686 179.322 177.584 0.086 0.000 1.176 2501 A CA 1.467 53.566 52.037 0.102 0.000 0.628 2501 A CB -0.850 18.195 19.000 0.075 0.000 0.816 2501 A HN 0.210 nan 8.150 nan 0.000 0.444 2502 N N -0.910 117.867 118.700 0.128 0.000 2.244 2502 N HA -0.095 4.650 4.740 0.008 0.000 0.183 2502 N C 1.344 176.885 175.510 0.052 0.000 1.016 2502 N CA 1.150 54.254 53.050 0.090 0.000 0.866 2502 N CB -0.542 38.025 38.487 0.133 0.000 0.980 2502 N HN 0.519 nan 8.380 nan 0.000 0.430 2503 F N 1.975 121.859 119.950 -0.109 0.000 2.134 2503 F HA -0.044 4.487 4.527 0.008 0.000 0.299 2503 F C 2.188 177.904 175.800 -0.141 0.000 1.097 2503 F CA 1.120 58.986 58.000 -0.224 0.000 1.264 2503 F CB -0.477 38.289 39.000 -0.390 0.000 1.001 2503 F HN 0.023 nan 8.300 nan 0.000 0.479 2504 A N 1.305 124.079 122.820 -0.075 0.000 1.940 2504 A HA -0.238 4.087 4.320 0.008 0.000 0.219 2504 A C 2.234 179.731 177.584 -0.145 0.000 1.176 2504 A CA 2.073 54.033 52.037 -0.128 0.000 0.631 2504 A CB -0.792 18.178 19.000 -0.049 0.000 0.814 2504 A HN 0.618 nan 8.150 nan 0.000 0.446 2505 R N -2.129 118.310 120.500 -0.103 0.000 2.312 2505 R HA 0.224 4.569 4.340 0.008 0.000 0.205 2505 R C 0.524 176.758 176.300 -0.110 0.000 0.904 2505 R CA 0.800 56.850 56.100 -0.082 0.000 1.052 2505 R CB -0.016 30.265 30.300 -0.032 0.000 1.014 2505 R HN 0.379 nan 8.270 nan 0.000 0.503 2506 N N 0.053 118.655 118.700 -0.162 0.000 2.266 2506 N HA 0.077 4.822 4.740 0.008 0.000 0.217 2506 N C 0.683 176.056 175.510 -0.229 0.000 1.211 2506 N CA 0.882 53.844 53.050 -0.145 0.000 0.881 2506 N CB 1.601 40.043 38.487 -0.075 0.000 1.153 2506 N HN 0.382 nan 8.380 nan 0.000 0.489 2507 G N 1.795 110.297 108.800 -0.497 0.000 2.143 2507 G HA2 -0.253 3.712 3.960 0.008 0.000 0.248 2507 G HA3 -0.253 3.712 3.960 0.008 0.000 0.248 2507 G C -0.137 174.595 174.900 -0.280 0.000 0.991 2507 G CA 0.391 45.066 45.100 -0.708 0.000 0.689 2507 G HN 0.455 nan 8.290 nan 0.000 0.522 2508 N N -0.502 118.092 118.700 -0.177 0.000 2.542 2508 N HA 0.374 5.118 4.740 0.008 0.000 0.288 2508 N C -1.655 173.772 175.510 -0.138 0.000 1.115 2508 N CA -1.301 51.680 53.050 -0.115 0.000 0.924 2508 N CB 2.240 40.738 38.487 0.018 0.000 1.526 2508 N HN -0.045 nan 8.380 nan 0.000 0.515 2509 P HA -0.035 nan 4.420 nan 0.000 0.225 2509 P C -0.210 177.187 177.300 0.162 0.000 1.156 2509 P CA 0.403 63.401 63.100 -0.171 0.000 0.787 2509 P CB 0.320 31.583 31.700 -0.729 0.000 0.802 2510 N N 0.902 119.656 118.700 0.090 0.000 2.395 2510 N HA 0.224 4.969 4.740 0.008 0.000 0.246 2510 N C 0.869 176.522 175.510 0.240 0.000 1.246 2510 N CA 1.168 54.380 53.050 0.269 0.000 0.879 2510 N CB 0.416 39.042 38.487 0.232 0.000 1.098 2510 N HN 0.155 nan 8.380 nan 0.000 0.444 2511 G N 0.142 109.095 108.800 0.255 0.000 2.646 2511 G HA2 0.333 4.298 3.960 0.008 0.000 0.291 2511 G HA3 0.333 4.298 3.960 0.008 0.000 0.291 2511 G C -1.419 173.558 174.900 0.127 0.000 1.445 2511 G CA -0.751 44.442 45.100 0.155 0.000 0.814 2511 G HN 0.465 nan 8.290 nan 0.000 0.495 2512 E N -0.103 120.149 120.200 0.087 0.000 2.417 2512 E HA 0.425 4.780 4.350 0.008 0.000 0.261 2512 E C 1.217 177.844 176.600 0.046 0.000 1.000 2512 E CA 0.359 56.799 56.400 0.067 0.000 0.919 2512 E CB 0.667 30.397 29.700 0.050 0.000 0.955 2512 E HN 1.980 nan 8.360 nan 0.000 0.455 2513 G N 2.306 111.135 108.800 0.048 0.000 2.258 2513 G HA2 -0.271 3.694 3.960 0.008 0.000 0.233 2513 G HA3 -0.271 3.694 3.960 0.008 0.000 0.233 2513 G C 0.008 174.916 174.900 0.013 0.000 1.006 2513 G CA 0.000 45.115 45.100 0.024 0.000 0.620 2513 G HN 0.466 nan 8.290 nan 0.000 0.511 2514 L N 3.067 124.305 121.223 0.024 0.000 2.357 2514 L HA 0.500 4.844 4.340 0.008 0.000 0.273 2514 L C -1.095 175.883 176.870 0.181 0.000 1.080 2514 L CA -2.089 52.752 54.840 0.002 0.000 0.803 2514 L CB 0.977 42.963 42.059 -0.122 0.000 1.174 2514 L HN 0.046 nan 8.230 nan 0.000 0.443 2515 P HA -0.035 nan 4.420 nan 0.000 0.270 2515 P C -0.984 176.554 177.300 0.397 0.000 1.223 2515 P CA -0.168 63.098 63.100 0.277 0.000 0.785 2515 P CB 0.477 32.317 31.700 0.234 0.000 0.923 2516 H N 1.315 120.518 119.070 0.220 0.000 2.683 2516 H HA 0.210 4.771 4.556 0.008 0.000 0.339 2516 H C -1.003 174.483 175.328 0.263 0.000 1.081 2516 H CA 0.182 56.374 56.048 0.241 0.000 1.432 2516 H CB 0.250 30.112 29.762 0.167 0.000 1.462 2516 H HN 0.394 nan 8.280 nan 0.000 0.557 2517 W N 9.305 130.281 121.300 -0.540 0.000 2.336 2517 W HA 0.316 4.980 4.660 0.008 0.000 0.315 2517 W C -2.806 173.485 176.519 -0.379 0.000 1.016 2517 W CA -3.183 53.944 57.345 -0.364 0.000 1.318 2517 W CB 0.924 30.145 29.460 -0.397 0.000 1.247 2517 W HN 0.556 nan 8.180 nan 0.000 0.414 2518 P HA 0.016 nan 4.420 nan 0.000 0.271 2518 P C -0.199 177.261 177.300 0.267 0.000 1.216 2518 P CA 0.261 63.489 63.100 0.213 0.000 0.776 2518 P CB 1.316 33.138 31.700 0.204 0.000 0.881 2519 E N 2.118 122.382 120.200 0.106 0.000 2.415 2519 E HA -0.087 4.268 4.350 0.008 0.000 0.262 2519 E C -0.793 175.762 176.600 -0.076 0.000 1.038 2519 E CA -0.345 55.932 56.400 -0.205 0.000 0.921 2519 E CB 0.147 29.742 29.700 -0.175 0.000 0.950 2519 E HN 0.376 nan 8.360 nan 0.000 0.438 2520 Y N 5.651 125.784 120.300 -0.278 0.000 2.724 2520 Y HA 0.075 4.630 4.550 0.008 0.000 0.354 2520 Y C -0.196 175.662 175.900 -0.069 0.000 1.270 2520 Y CA -0.562 57.487 58.100 -0.084 0.000 1.902 2520 Y CB -0.905 37.518 38.460 -0.062 0.000 1.981 2520 Y HN 0.500 nan 8.280 nan 0.000 0.428 2521 N N -0.334 118.238 118.700 -0.214 0.000 2.379 2521 N HA -0.010 4.735 4.740 0.008 0.000 0.284 2521 N C 0.858 176.204 175.510 -0.274 0.000 1.330 2521 N CA 0.005 52.944 53.050 -0.184 0.000 0.933 2521 N CB 0.054 38.481 38.487 -0.100 0.000 1.078 2521 N HN 0.217 nan 8.380 nan 0.000 0.490 2522 Q N -0.624 119.077 119.800 -0.164 0.000 2.369 2522 Q HA 0.055 4.400 4.340 0.008 0.000 0.206 2522 Q C 0.876 176.788 176.000 -0.147 0.000 0.963 2522 Q CA 0.966 56.682 55.803 -0.145 0.000 0.894 2522 Q CB -0.168 28.523 28.738 -0.078 0.000 0.965 2522 Q HN 0.610 nan 8.270 nan 0.000 0.475 2523 K N 0.506 120.822 120.400 -0.140 0.000 2.400 2523 K HA 0.024 4.349 4.320 0.008 0.000 0.194 2523 K C -0.255 176.275 176.600 -0.116 0.000 1.033 2523 K CA -0.078 56.156 56.287 -0.088 0.000 1.021 2523 K CB 0.392 32.870 32.500 -0.036 0.000 0.808 2523 K HN 0.150 nan 8.250 nan 0.000 0.505 2524 E N 0.430 120.441 120.200 -0.315 0.000 2.230 2524 E HA -0.159 4.196 4.350 0.008 0.000 0.206 2524 E C -0.238 176.402 176.600 0.066 0.000 1.309 2524 E CA 0.120 56.232 56.400 -0.480 0.000 0.697 2524 E CB -1.483 28.039 29.700 -0.297 0.000 1.146 2524 E HN 0.476 nan 8.360 nan 0.000 0.363 2525 G N 1.309 110.175 108.800 0.109 0.000 2.325 2525 G HA2 0.480 4.445 3.960 0.008 0.000 0.298 2525 G HA3 0.480 4.445 3.960 0.008 0.000 0.298 2525 G C -0.389 174.770 174.900 0.432 0.000 1.134 2525 G CA -0.389 44.847 45.100 0.227 0.000 0.876 2525 G HN 0.305 nan 8.290 nan 0.000 0.452 2526 Y N 0.969 121.419 120.300 0.251 0.000 2.633 2526 Y HA 0.787 5.342 4.550 0.008 0.000 0.339 2526 Y C -1.050 174.872 175.900 0.036 0.000 1.045 2526 Y CA -1.956 56.298 58.100 0.257 0.000 1.098 2526 Y CB 1.772 40.363 38.460 0.217 0.000 1.296 2526 Y HN 0.484 nan 8.280 nan 0.000 0.494 2527 L N 1.936 123.032 121.223 -0.211 0.000 2.309 2527 L HA 0.461 4.806 4.340 0.008 0.000 0.282 2527 L C -0.850 175.861 176.870 -0.266 0.000 1.036 2527 L CA -0.545 53.941 54.840 -0.591 0.000 0.806 2527 L CB 1.824 42.995 42.059 -1.480 0.000 1.220 2527 L HN 0.794 nan 8.230 nan 0.000 0.429 2528 Q N 5.249 124.899 119.800 -0.251 0.000 2.390 2528 Q HA 0.479 4.824 4.340 0.008 0.000 0.249 2528 Q C -1.061 174.876 176.000 -0.106 0.000 0.996 2528 Q CA -0.093 55.672 55.803 -0.063 0.000 0.899 2528 Q CB 1.245 29.948 28.738 -0.057 0.000 1.216 2528 Q HN 0.582 nan 8.270 nan 0.000 0.465 2529 I N 2.039 122.564 120.570 -0.076 0.000 2.353 2529 I HA 0.696 4.870 4.170 0.008 0.000 0.293 2529 I C 0.709 176.654 176.117 -0.285 0.000 0.992 2529 I CA -0.158 61.063 61.300 -0.131 0.000 1.268 2529 I CB 1.444 39.420 38.000 -0.041 0.000 1.387 2529 I HN 0.717 nan 8.210 nan 0.000 0.478 2530 G N 3.161 111.797 108.800 -0.273 0.000 2.323 2530 G HA2 0.337 4.301 3.960 0.008 0.000 0.291 2530 G HA3 0.337 4.301 3.960 0.008 0.000 0.291 2530 G C 0.281 175.078 174.900 -0.172 0.000 1.278 2530 G CA -0.092 44.827 45.100 -0.303 0.000 0.860 2530 G HN 0.600 nan 8.290 nan 0.000 0.504 2531 A N -0.540 122.261 122.820 -0.032 0.000 1.971 2531 A HA -0.049 4.276 4.320 0.008 0.000 0.222 2531 A C 1.039 178.603 177.584 -0.033 0.000 1.182 2531 A CA 1.917 53.951 52.037 -0.005 0.000 0.649 2531 A CB -0.622 18.429 19.000 0.086 0.000 0.818 2531 A HN 0.586 nan 8.150 nan 0.000 0.458 2532 N N -0.213 118.468 118.700 -0.032 0.000 2.569 2532 N HA 0.303 5.048 4.740 0.008 0.000 0.254 2532 N C -1.503 173.982 175.510 -0.042 0.000 1.004 2532 N CA -0.205 52.828 53.050 -0.028 0.000 0.904 2532 N CB 1.321 39.798 38.487 -0.015 0.000 1.165 2532 N HN 0.047 nan 8.380 nan 0.000 0.513 2533 T N 3.102 117.634 114.554 -0.038 0.000 2.832 2533 T HA 0.169 4.524 4.350 0.008 0.000 0.313 2533 T C -0.132 174.547 174.700 -0.036 0.000 1.035 2533 T CA -0.555 61.519 62.100 -0.045 0.000 0.950 2533 T CB 0.357 69.221 68.868 -0.008 0.000 0.984 2533 T HN 0.434 nan 8.240 nan 0.000 0.486 2534 Q N 1.864 121.620 119.800 -0.073 0.000 2.495 2534 Q HA 0.789 5.134 4.340 0.008 0.000 0.287 2534 Q C -0.606 175.304 176.000 -0.149 0.000 1.078 2534 Q CA -1.177 54.585 55.803 -0.068 0.000 0.793 2534 Q CB 1.532 30.247 28.738 -0.037 0.000 1.459 2534 Q HN 0.454 nan 8.270 nan 0.000 0.422 2535 A N 0.759 123.503 122.820 -0.126 0.000 2.364 2535 A HA 0.762 5.087 4.320 0.008 0.000 0.258 2535 A C 0.026 177.445 177.584 -0.275 0.000 1.131 2535 A CA 0.709 52.626 52.037 -0.200 0.000 0.800 2535 A CB -0.243 18.722 19.000 -0.058 0.000 1.086 2535 A HN 1.434 nan 8.150 nan 0.000 0.508 2536 A N -1.597 120.992 122.820 -0.386 0.000 2.457 2536 A HA 0.654 4.979 4.320 0.008 0.000 0.305 2536 A C -1.167 176.287 177.584 -0.218 0.000 1.110 2536 A CA -0.418 51.399 52.037 -0.367 0.000 0.616 2536 A CB 0.474 19.110 19.000 -0.608 0.000 1.371 2536 A HN 0.902 nan 8.150 nan 0.000 0.525 2537 Q N -0.410 119.437 119.800 0.078 0.000 2.482 2537 Q HA 0.548 4.893 4.340 0.008 0.000 0.286 2537 Q C -1.360 174.874 176.000 0.390 0.000 1.007 2537 Q CA -1.086 54.880 55.803 0.272 0.000 0.801 2537 Q CB 1.739 30.551 28.738 0.124 0.000 1.455 2537 Q HN 0.574 nan 8.270 nan 0.000 0.398 2538 K N 0.454 121.034 120.400 0.301 0.000 3.150 2538 K HA -0.185 4.140 4.320 0.008 0.000 0.267 2538 K C -0.678 176.010 176.600 0.147 0.000 1.028 2538 K CA 0.229 56.634 56.287 0.196 0.000 0.753 2538 K CB -1.846 30.733 32.500 0.131 0.000 1.288 2538 K HN 0.644 nan 8.250 nan 0.000 0.473 2539 L N 1.463 122.700 121.223 0.023 0.000 2.559 2539 L HA 0.021 4.366 4.340 0.008 0.000 0.274 2539 L C 0.823 177.636 176.870 -0.095 0.000 1.205 2539 L CA 0.853 55.492 54.840 -0.334 0.000 0.907 2539 L CB 0.251 41.750 42.059 -0.933 0.000 1.153 2539 L HN 0.368 nan 8.230 nan 0.000 0.490 2540 K N 2.815 123.188 120.400 -0.045 0.000 3.048 2540 K HA -0.315 4.010 4.320 0.008 0.000 0.274 2540 K C 1.097 177.747 176.600 0.085 0.000 1.098 2540 K CA 1.296 57.606 56.287 0.040 0.000 0.807 2540 K CB -1.668 30.856 32.500 0.040 0.000 1.217 2540 K HN 1.004 nan 8.250 nan 0.000 0.477 2541 D N 1.166 121.613 120.400 0.078 0.000 2.103 2541 D HA -0.195 4.450 4.640 0.008 0.000 0.190 2541 D C 1.477 177.837 176.300 0.099 0.000 0.997 2541 D CA 1.781 55.836 54.000 0.092 0.000 0.833 2541 D CB 0.252 41.101 40.800 0.082 0.000 0.961 2541 D HN 0.492 nan 8.370 nan 0.000 0.447 2542 K N 0.078 120.526 120.400 0.080 0.000 2.009 2542 K HA -0.181 4.143 4.320 0.008 0.000 0.210 2542 K C 2.266 178.938 176.600 0.120 0.000 1.049 2542 K CA 1.368 57.695 56.287 0.068 0.000 0.929 2542 K CB -0.136 32.372 32.500 0.013 0.000 0.714 2542 K HN 0.087 nan 8.250 nan 0.000 0.440 2543 E N 0.748 121.042 120.200 0.156 0.000 2.049 2543 E HA -0.188 4.167 4.350 0.008 0.000 0.198 2543 E C 2.065 178.941 176.600 0.459 0.000 1.007 2543 E CA 1.356 57.952 56.400 0.326 0.000 0.809 2543 E CB -0.568 29.368 29.700 0.395 0.000 0.749 2543 E HN 0.021 nan 8.360 nan 0.000 0.450 2544 V N 1.078 121.191 119.914 0.333 0.000 2.282 2544 V HA -0.328 3.797 4.120 0.008 0.000 0.249 2544 V C 2.244 178.487 176.094 0.247 0.000 1.057 2544 V CA 1.985 64.465 62.300 0.300 0.000 1.032 2544 V CB -1.020 30.917 31.823 0.191 0.000 0.645 2544 V HN 0.392 nan 8.190 nan 0.000 0.447 2545 A N -0.644 122.285 122.820 0.182 0.000 1.940 2545 A HA -0.242 4.083 4.320 0.008 0.000 0.219 2545 A C 2.099 179.741 177.584 0.097 0.000 1.176 2545 A CA 2.116 54.225 52.037 0.121 0.000 0.631 2545 A CB -0.655 18.402 19.000 0.094 0.000 0.814 2545 A HN 0.566 nan 8.150 nan 0.000 0.446 2546 F N -1.063 118.858 119.950 -0.048 0.000 2.098 2546 F HA -0.083 4.449 4.527 0.008 0.000 0.294 2546 F C 1.957 177.581 175.800 -0.292 0.000 1.107 2546 F CA 1.538 59.404 58.000 -0.223 0.000 1.234 2546 F CB -0.525 38.250 39.000 -0.375 0.000 1.002 2546 F HN 0.351 nan 8.300 nan 0.000 0.472 2547 W N 0.701 121.969 121.300 -0.052 0.000 2.381 2547 W HA -0.127 4.538 4.660 0.009 0.000 0.301 2547 W C 2.632 179.095 176.519 -0.092 0.000 1.205 2547 W CA 1.819 59.040 57.345 -0.206 0.000 1.285 2547 W CB -1.182 28.338 29.460 0.101 0.000 1.133 2547 W HN -0.133 nan 8.180 nan 0.000 0.521 2548 T N 0.198 114.897 114.554 0.241 0.000 2.665 2548 T HA -0.327 4.028 4.350 0.008 0.000 0.268 2548 T C 1.369 176.122 174.700 0.088 0.000 1.035 2548 T CA 1.996 64.214 62.100 0.197 0.000 1.151 2548 T CB -0.662 68.289 68.868 0.139 0.000 0.862 2548 T HN 0.201 nan 8.240 nan 0.000 0.438 2549 N N 0.500 119.172 118.700 -0.048 0.000 2.051 2549 N HA -0.059 4.686 4.740 0.008 0.000 0.192 2549 N C 1.779 177.186 175.510 -0.172 0.000 1.049 2549 N CA 0.942 53.929 53.050 -0.106 0.000 0.845 2549 N CB -0.539 37.855 38.487 -0.155 0.000 1.031 2549 N HN 0.152 nan 8.380 nan 0.000 0.425 2550 L N 0.123 121.088 121.223 -0.431 0.000 2.034 2550 L HA -0.187 4.158 4.340 0.008 0.000 0.217 2550 L C 1.832 178.575 176.870 -0.211 0.000 1.077 2550 L CA 1.815 56.355 54.840 -0.499 0.000 0.769 2550 L CB -1.028 40.426 42.059 -1.009 0.000 0.890 2550 L HN 0.352 nan 8.230 nan 0.000 0.435 2551 F N -0.922 119.008 119.950 -0.035 0.000 2.365 2551 F HA -0.141 4.391 4.527 0.009 0.000 0.300 2551 F C 2.364 178.173 175.800 0.015 0.000 1.090 2551 F CA 0.421 58.445 58.000 0.041 0.000 1.408 2551 F CB -0.384 38.671 39.000 0.091 0.000 1.060 2551 F HN 0.254 nan 8.300 nan 0.000 0.534 2552 A N 0.119 123.036 122.820 0.163 0.000 2.125 2552 A HA -0.123 4.202 4.320 0.008 0.000 0.219 2552 A C 1.271 178.898 177.584 0.071 0.000 1.156 2552 A CA 0.791 52.884 52.037 0.093 0.000 0.671 2552 A CB -0.483 18.545 19.000 0.046 0.000 0.794 2552 A HN 0.245 nan 8.150 nan 0.000 0.459 2553 K N 0.000 120.439 120.400 0.065 0.000 2.780 2553 K HA 0.000 4.325 4.320 0.008 0.000 0.191 2553 K CA 0.000 56.316 56.287 0.049 0.000 0.838 2553 K CB 0.000 32.512 32.500 0.020 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543