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 1do8_1_C DATA FIRST_RESID 2021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 I HA 0.000 nan 4.170 nan 0.000 0.288 2021 I C 0.000 176.137 176.117 0.033 0.000 1.063 2021 I CA 0.000 61.327 61.300 0.045 0.000 1.566 2021 I CB 0.000 38.034 38.000 0.057 0.000 1.214 2022 K N 2.385 122.800 120.400 0.025 0.000 2.243 2022 K HA 0.231 4.550 4.320 -0.001 0.000 0.201 2022 K C 0.435 177.039 176.600 0.007 0.000 1.051 2022 K CA 0.690 56.986 56.287 0.016 0.000 0.970 2022 K CB 0.300 32.809 32.500 0.015 0.000 0.755 2022 K HN 0.475 nan 8.250 nan 0.000 0.465 2023 E N 1.678 121.882 120.200 0.007 0.000 2.373 2023 E HA 0.066 4.415 4.350 -0.001 0.000 0.263 2023 E C -0.150 176.443 176.600 -0.011 0.000 1.073 2023 E CA 0.146 56.544 56.400 -0.003 0.000 0.894 2023 E CB 1.224 30.923 29.700 -0.002 0.000 1.008 2023 E HN 0.170 nan 8.360 nan 0.000 0.420 2024 K N -0.953 119.431 120.400 -0.027 0.000 2.495 2024 K HA 0.718 5.038 4.320 -0.001 0.000 0.268 2024 K C 0.052 176.615 176.600 -0.062 0.000 1.008 2024 K CA -0.415 55.842 56.287 -0.049 0.000 0.882 2024 K CB 1.366 33.837 32.500 -0.048 0.000 1.443 2024 K HN 0.593 nan 8.250 nan 0.000 0.447 2025 G N 1.216 109.960 108.800 -0.094 0.000 2.741 2025 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.222 2025 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.222 2025 G C 0.402 175.246 174.900 -0.093 0.000 1.364 2025 G CA 0.365 45.409 45.100 -0.094 0.000 0.866 2025 G HN 0.937 nan 8.290 nan 0.000 0.555 2026 K N 0.638 120.994 120.400 -0.075 0.000 2.163 2026 K HA -0.149 4.170 4.320 -0.001 0.000 0.210 2026 K C 0.083 176.662 176.600 -0.035 0.000 1.048 2026 K CA 2.772 59.026 56.287 -0.056 0.000 0.928 2026 K CB -0.948 31.529 32.500 -0.039 0.000 0.716 2026 K HN 0.364 nan 8.250 nan 0.000 0.459 2027 P HA -0.162 nan 4.420 nan 0.000 0.218 2027 P C 0.145 177.445 177.300 0.000 0.000 1.146 2027 P CA 0.989 64.080 63.100 -0.016 0.000 0.813 2027 P CB 0.042 31.730 31.700 -0.019 0.000 0.778 2031 N N 3.196 121.905 118.700 0.016 0.000 2.420 2031 N HA 0.232 4.971 4.740 -0.001 0.000 0.249 2031 N C -1.680 173.842 175.510 0.021 0.000 1.033 2031 N CA -2.014 51.038 53.050 0.003 0.000 0.944 2031 N CB 1.494 39.984 38.487 0.004 0.000 1.113 2031 N HN -0.066 nan 8.380 nan 0.000 0.502 2032 P HA -0.137 nan 4.420 nan 0.000 0.222 2032 P C 1.072 178.396 177.300 0.039 0.000 1.147 2032 P CA 0.778 63.882 63.100 0.006 0.000 0.790 2032 P CB 0.502 32.177 31.700 -0.042 0.000 0.780 2033 R N 0.768 121.288 120.500 0.034 0.000 2.096 2033 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 2033 R C 2.089 178.452 176.300 0.105 0.000 1.127 2033 R CA 2.406 58.546 56.100 0.065 0.000 0.968 2033 R CB -1.104 29.213 30.300 0.028 0.000 0.861 2033 R HN 0.278 nan 8.270 nan 0.000 0.440 2034 T N -3.203 111.405 114.554 0.091 0.000 3.000 2034 T HA 0.116 4.465 4.350 -0.001 0.000 0.248 2034 T C 0.598 175.354 174.700 0.093 0.000 1.034 2034 T CA -0.179 61.988 62.100 0.112 0.000 1.060 2034 T CB -0.367 68.581 68.868 0.134 0.000 0.983 2034 T HN 0.096 nan 8.240 nan 0.000 0.482 2035 N N 1.999 120.758 118.700 0.098 0.000 2.411 2035 N HA 0.065 4.804 4.740 -0.001 0.000 0.265 2035 N C 0.423 175.808 175.510 -0.209 0.000 1.266 2035 N CA 0.317 53.410 53.050 0.072 0.000 0.889 2035 N CB 0.633 39.178 38.487 0.096 0.000 1.069 2035 N HN 0.334 nan 8.380 nan 0.000 0.476 2036 K N 2.276 122.189 120.400 -0.812 0.000 2.358 2036 K HA 0.239 4.559 4.320 -0.001 0.000 0.200 2036 K C 0.726 176.960 176.600 -0.610 0.000 1.030 2036 K CA 0.225 55.868 56.287 -1.072 0.000 1.097 2036 K CB 0.151 31.507 32.500 -1.907 0.000 0.862 2036 K HN 0.829 nan 8.250 nan 0.000 0.534 2040 F N 3.274 123.118 119.950 -0.178 0.000 2.541 2040 F HA 0.308 4.834 4.527 -0.001 0.000 0.378 2040 F C 1.777 177.525 175.800 -0.086 0.000 1.068 2040 F CA 1.254 59.167 58.000 -0.144 0.000 1.199 2040 F CB 0.891 39.827 39.000 -0.105 0.000 1.091 2040 F HN 0.315 nan 8.300 nan 0.000 0.555 2041 T N 1.708 116.335 114.554 0.122 0.000 2.734 2041 T HA 0.000 4.350 4.350 -0.001 0.000 0.314 2041 T C 1.059 175.795 174.700 0.061 0.000 1.057 2041 T CA -0.803 61.338 62.100 0.068 0.000 1.047 2041 T CB 0.837 69.734 68.868 0.047 0.000 0.991 2041 T HN 0.595 nan 8.240 nan 0.000 0.540 2042 L N 0.710 121.953 121.223 0.034 0.000 2.046 2042 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 2042 L C 2.957 179.831 176.870 0.006 0.000 1.077 2042 L CA 1.641 56.490 54.840 0.016 0.000 0.747 2042 L CB -0.863 41.203 42.059 0.011 0.000 0.896 2042 L HN 0.739 nan 8.230 nan 0.000 0.432 2043 Q N -0.480 119.327 119.800 0.011 0.000 2.084 2043 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 2043 Q C 2.131 178.132 176.000 0.000 0.000 0.978 2043 Q CA 1.969 57.775 55.803 0.005 0.000 0.844 2043 Q CB -0.116 28.629 28.738 0.011 0.000 0.898 2043 Q HN 0.671 nan 8.270 nan 0.000 0.426 2044 E N 0.338 120.550 120.200 0.019 0.000 2.051 2044 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 2044 E C 2.125 178.690 176.600 -0.059 0.000 0.991 2044 E CA 0.740 57.151 56.400 0.018 0.000 0.799 2044 E CB 0.004 29.773 29.700 0.115 0.000 0.748 2044 E HN 0.232 nan 8.360 nan 0.000 0.449 2045 R N 0.765 121.226 120.500 -0.066 0.000 2.091 2045 R HA -0.096 4.244 4.340 -0.001 0.000 0.238 2045 R C 1.288 177.527 176.300 -0.101 0.000 1.136 2045 R CA 0.975 56.998 56.100 -0.128 0.000 0.959 2045 R CB -0.134 30.119 30.300 -0.078 0.000 0.856 2045 R HN 0.228 nan 8.270 nan 0.000 0.437 2049 G N 1.422 110.158 108.800 -0.106 0.000 2.314 2049 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.292 2049 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.292 2049 G C 0.302 175.124 174.900 -0.130 0.000 1.059 2049 G CA 0.762 45.802 45.100 -0.100 0.000 0.982 2049 G HN 0.377 nan 8.290 nan 0.000 0.505 2050 L N -1.172 119.953 121.223 -0.163 0.000 2.966 2050 L HA 0.270 4.609 4.340 -0.001 0.000 0.262 2050 L C 1.148 177.940 176.870 -0.130 0.000 1.165 2050 L CA -0.456 54.268 54.840 -0.193 0.000 0.978 2050 L CB 0.192 42.035 42.059 -0.360 0.000 1.337 2050 L HN 0.151 nan 8.230 nan 0.000 0.563 2051 Q N 1.578 121.320 119.800 -0.096 0.000 2.244 2051 Q HA 0.188 4.527 4.340 -0.001 0.000 0.278 2051 Q C 1.134 177.104 176.000 -0.050 0.000 1.093 2051 Q CA 1.294 57.059 55.803 -0.062 0.000 0.916 2051 Q CB 0.953 29.662 28.738 -0.049 0.000 1.159 2051 Q HN 0.478 nan 8.270 nan 0.000 0.384 2052 G N 2.483 111.260 108.800 -0.039 0.000 2.284 2052 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 2052 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 2052 G C 0.667 175.550 174.900 -0.028 0.000 1.009 2052 G CA 0.099 45.182 45.100 -0.029 0.000 0.625 2052 G HN 0.542 nan 8.290 nan 0.000 0.501 2053 L N 0.521 121.719 121.223 -0.041 0.000 2.554 2053 L HA 0.466 4.805 4.340 -0.001 0.000 0.226 2053 L C 0.854 177.713 176.870 -0.018 0.000 1.137 2053 L CA 0.507 55.325 54.840 -0.036 0.000 0.863 2053 L CB -0.058 41.966 42.059 -0.058 0.000 0.985 2053 L HN 0.188 nan 8.230 nan 0.000 0.451 2054 L N -0.931 120.285 121.223 -0.012 0.000 2.371 2054 L HA 0.498 4.837 4.340 -0.001 0.000 0.262 2054 L C -2.288 174.590 176.870 0.013 0.000 1.006 2054 L CA -1.999 52.849 54.840 0.014 0.000 0.818 2054 L CB 1.654 43.735 42.059 0.037 0.000 1.354 2054 L HN -0.249 nan 8.230 nan 0.000 0.415 2055 P HA 0.118 nan 4.420 nan 0.000 0.268 2055 P C -2.228 175.082 177.300 0.017 0.000 1.208 2055 P CA -0.916 62.195 63.100 0.017 0.000 0.777 2055 P CB -0.086 31.627 31.700 0.021 0.000 0.875 2056 P HA -0.046 nan 4.420 nan 0.000 0.250 2056 P C -0.090 177.220 177.300 0.016 0.000 1.239 2056 P CA 0.909 64.016 63.100 0.011 0.000 0.756 2056 P CB -0.026 31.678 31.700 0.007 0.000 1.013 2057 K N 1.052 121.464 120.400 0.021 0.000 2.185 2057 K HA 0.317 4.636 4.320 -0.001 0.000 0.269 2057 K C -0.510 176.108 176.600 0.030 0.000 0.987 2057 K CA -0.535 55.767 56.287 0.024 0.000 0.865 2057 K CB 0.532 33.047 32.500 0.025 0.000 1.090 2057 K HN -0.227 nan 8.250 nan 0.000 0.450 2058 I N 3.958 124.545 120.570 0.029 0.000 2.321 2058 I HA 0.305 4.474 4.170 -0.001 0.000 0.291 2058 I C 0.208 176.343 176.117 0.031 0.000 0.998 2058 I CA -0.361 60.958 61.300 0.031 0.000 1.227 2058 I CB 1.005 39.022 38.000 0.028 0.000 1.368 2058 I HN 0.791 nan 8.210 nan 0.000 0.466 2059 E N 3.567 123.787 120.200 0.033 0.000 2.303 2059 E HA 0.615 4.964 4.350 -0.001 0.000 0.254 2059 E C -0.207 176.422 176.600 0.049 0.000 0.979 2059 E CA -0.676 55.748 56.400 0.040 0.000 0.843 2059 E CB 2.092 31.820 29.700 0.047 0.000 1.245 2059 E HN 0.673 nan 8.360 nan 0.000 0.413 2060 T N -2.732 111.861 114.554 0.065 0.000 2.930 2060 T HA 0.162 4.511 4.350 -0.001 0.000 0.290 2060 T C 0.758 175.527 174.700 0.115 0.000 1.052 2060 T CA -0.734 61.419 62.100 0.087 0.000 1.017 2060 T CB 1.754 70.656 68.868 0.058 0.000 1.137 2060 T HN 0.451 nan 8.240 nan 0.000 0.511 2061 Q N -0.142 119.740 119.800 0.137 0.000 2.170 2061 Q HA -0.159 4.180 4.340 -0.001 0.000 0.203 2061 Q C 1.053 177.065 176.000 0.020 0.000 0.976 2061 Q CA 2.032 57.875 55.803 0.065 0.000 0.858 2061 Q CB -0.219 28.430 28.738 -0.147 0.000 0.907 2061 Q HN 0.773 nan 8.270 nan 0.000 0.433 2062 D N 0.116 120.530 120.400 0.024 0.000 2.117 2062 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 2062 D C 1.641 177.974 176.300 0.056 0.000 0.987 2062 D CA 1.140 55.159 54.000 0.032 0.000 0.829 2062 D CB -0.085 40.730 40.800 0.026 0.000 0.961 2062 D HN 0.311 nan 8.370 nan 0.000 0.460 2063 I N 0.438 121.042 120.570 0.058 0.000 2.252 2063 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 2063 I C 2.284 178.446 176.117 0.074 0.000 1.102 2063 I CA 1.111 62.449 61.300 0.063 0.000 1.385 2063 I CB -0.294 37.740 38.000 0.057 0.000 1.064 2063 I HN -0.006 nan 8.210 nan 0.000 0.414 2064 Q N 0.717 120.561 119.800 0.073 0.000 2.084 2064 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 2064 Q C 2.497 178.541 176.000 0.073 0.000 0.978 2064 Q CA 1.795 57.644 55.803 0.076 0.000 0.844 2064 Q CB -0.309 28.476 28.738 0.079 0.000 0.898 2064 Q HN 0.590 nan 8.270 nan 0.000 0.426 2065 A N 0.744 123.596 122.820 0.053 0.000 1.933 2065 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 2065 A C 2.032 179.711 177.584 0.158 0.000 1.175 2065 A CA 0.991 53.059 52.037 0.051 0.000 0.628 2065 A CB -0.657 18.387 19.000 0.074 0.000 0.814 2065 A HN 0.346 nan 8.150 nan 0.000 0.444 2066 L N -0.986 120.339 121.223 0.169 0.000 2.046 2066 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 2066 L C 2.829 179.789 176.870 0.150 0.000 1.077 2066 L CA 1.766 56.718 54.840 0.186 0.000 0.747 2066 L CB -0.321 41.809 42.059 0.118 0.000 0.896 2066 L HN 0.517 nan 8.230 nan 0.000 0.432 2067 R N -0.562 120.012 120.500 0.123 0.000 2.091 2067 R HA -0.268 4.071 4.340 -0.001 0.000 0.238 2067 R C 2.366 178.744 176.300 0.131 0.000 1.136 2067 R CA 2.105 58.272 56.100 0.112 0.000 0.959 2067 R CB -0.513 29.854 30.300 0.113 0.000 0.856 2067 R HN 0.288 nan 8.270 nan 0.000 0.437 2068 F N 0.980 120.925 119.950 -0.009 0.000 2.046 2068 F HA -0.224 4.302 4.527 -0.001 0.000 0.297 2068 F C 1.902 177.692 175.800 -0.017 0.000 1.123 2068 F CA 2.312 60.282 58.000 -0.051 0.000 1.199 2068 F CB -0.639 38.180 39.000 -0.301 0.000 0.972 2068 F HN 0.155 nan 8.300 nan 0.000 0.474 2069 H N -0.982 118.052 119.070 -0.060 0.000 2.422 2069 H HA -0.124 4.431 4.556 -0.001 0.000 0.298 2069 H C 2.264 177.504 175.328 -0.148 0.000 1.098 2069 H CA 1.465 57.414 56.048 -0.164 0.000 1.315 2069 H CB -0.176 29.617 29.762 0.051 0.000 1.382 2069 H HN 0.107 nan 8.280 nan 0.000 0.523 2070 R N 0.726 121.250 120.500 0.040 0.000 2.070 2070 R HA -0.103 4.236 4.340 -0.001 0.000 0.233 2070 R C 1.978 178.251 176.300 -0.045 0.000 1.137 2070 R CA 1.451 57.558 56.100 0.012 0.000 0.945 2070 R CB -0.167 30.150 30.300 0.028 0.000 0.845 2070 R HN 0.314 nan 8.270 nan 0.000 0.430 2071 N N 0.131 118.787 118.700 -0.073 0.000 2.084 2071 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 2071 N C 1.622 177.046 175.510 -0.144 0.000 1.030 2071 N CA 1.156 54.141 53.050 -0.108 0.000 0.849 2071 N CB -0.399 38.041 38.487 -0.079 0.000 1.012 2071 N HN 0.127 nan 8.380 nan 0.000 0.423 2072 L N 1.760 122.847 121.223 -0.227 0.000 2.042 2072 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 2072 L C 2.114 178.925 176.870 -0.099 0.000 1.076 2072 L CA 1.726 56.442 54.840 -0.205 0.000 0.749 2072 L CB -0.493 41.252 42.059 -0.524 0.000 0.893 2072 L HN -0.060 nan 8.230 nan 0.000 0.432 2073 K N 0.057 120.406 120.400 -0.084 0.000 2.074 2073 K HA -0.159 4.161 4.320 -0.001 0.000 0.209 2073 K C 0.881 177.463 176.600 -0.031 0.000 1.048 2073 K CA 1.336 57.602 56.287 -0.034 0.000 0.926 2073 K CB -0.118 32.371 32.500 -0.018 0.000 0.713 2073 K HN 0.271 nan 8.250 nan 0.000 0.444 2077 S N 2.382 118.097 115.700 0.024 0.000 2.578 2077 S HA 0.687 5.156 4.470 -0.001 0.000 0.283 2077 S C -2.081 172.552 174.600 0.054 0.000 1.195 2077 S CA -1.141 57.078 58.200 0.032 0.000 1.050 2077 S CB 1.731 64.946 63.200 0.024 0.000 1.012 2077 S HN 0.104 nan 8.310 nan 0.000 0.511 2078 P HA -0.035 nan 4.420 nan 0.000 0.217 2078 P C 1.495 178.863 177.300 0.113 0.000 1.150 2078 P CA 0.306 63.455 63.100 0.082 0.000 0.832 2078 P CB 0.033 31.767 31.700 0.057 0.000 0.787 2079 L N 0.216 121.483 121.223 0.072 0.000 2.093 2079 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 2079 L C 2.264 179.225 176.870 0.151 0.000 1.085 2079 L CA 1.852 56.740 54.840 0.081 0.000 0.755 2079 L CB -1.252 40.809 42.059 0.004 0.000 0.904 2079 L HN -0.052 nan 8.230 nan 0.000 0.435 2080 E N -0.625 119.638 120.200 0.105 0.000 2.110 2080 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 2080 E C 1.999 178.696 176.600 0.162 0.000 0.988 2080 E CA 1.113 57.575 56.400 0.103 0.000 0.804 2080 E CB 0.086 29.816 29.700 0.051 0.000 0.745 2080 E HN 0.509 nan 8.360 nan 0.000 0.458 2081 K N -0.293 120.213 120.400 0.177 0.000 2.097 2081 K HA -0.180 4.139 4.320 -0.001 0.000 0.205 2081 K C 2.160 178.914 176.600 0.257 0.000 1.050 2081 K CA 1.251 57.673 56.287 0.225 0.000 0.938 2081 K CB -0.388 32.221 32.500 0.180 0.000 0.718 2081 K HN 0.261 nan 8.250 nan 0.000 0.442 2082 Y N 2.062 122.435 120.300 0.123 0.000 2.145 2082 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 2082 Y C 1.939 177.903 175.900 0.107 0.000 1.145 2082 Y CA 1.413 59.578 58.100 0.109 0.000 1.148 2082 Y CB -0.157 38.352 38.460 0.081 0.000 0.981 2082 Y HN -0.085 nan 8.280 nan 0.000 0.507 2083 I N -0.865 119.875 120.570 0.283 0.000 2.315 2083 I HA -0.294 3.876 4.170 -0.001 0.000 0.248 2083 I C 2.118 178.307 176.117 0.119 0.000 1.117 2083 I CA 1.361 62.756 61.300 0.159 0.000 1.404 2083 I CB -0.650 37.448 38.000 0.163 0.000 1.071 2083 I HN 0.303 nan 8.210 nan 0.000 0.419 2084 Y N 2.495 122.812 120.300 0.028 0.000 2.133 2084 Y HA -0.092 4.457 4.550 -0.001 0.000 0.287 2084 Y C 1.503 177.443 175.900 0.067 0.000 1.134 2084 Y CA 0.347 58.474 58.100 0.045 0.000 1.133 2084 Y CB -0.550 37.953 38.460 0.071 0.000 0.987 2084 Y HN 0.149 nan 8.280 nan 0.000 0.502 2088 I N 1.440 121.906 120.570 -0.174 0.000 2.361 2088 I HA -0.174 3.996 4.170 -0.001 0.000 0.251 2088 I C 2.614 178.572 176.117 -0.265 0.000 1.133 2088 I CA 1.697 62.912 61.300 -0.142 0.000 1.413 2088 I CB -0.078 37.866 38.000 -0.092 0.000 1.073 2088 I HN 0.276 nan 8.210 nan 0.000 0.424 2089 Q N 1.088 120.486 119.800 -0.670 0.000 2.297 2089 Q HA -0.209 4.131 4.340 -0.001 0.000 0.208 2089 Q C 1.349 177.077 176.000 -0.454 0.000 0.981 2089 Q CA 1.264 56.464 55.803 -1.005 0.000 0.876 2089 Q CB 0.202 27.948 28.738 -1.653 0.000 0.921 2089 Q HN 0.471 nan 8.270 nan 0.000 0.446 2090 E N -0.627 119.382 120.200 -0.319 0.000 2.474 2090 E HA 0.065 4.415 4.350 -0.001 0.000 0.195 2090 E C 0.938 177.468 176.600 -0.118 0.000 1.039 2090 E CA 0.095 56.379 56.400 -0.194 0.000 0.881 2090 E CB 0.534 30.125 29.700 -0.181 0.000 0.970 2090 E HN 0.326 nan 8.360 nan 0.000 0.486 2091 R N -0.052 120.388 120.500 -0.099 0.000 2.302 2091 R HA 0.157 4.497 4.340 -0.001 0.000 0.187 2091 R C 0.476 176.772 176.300 -0.007 0.000 0.904 2091 R CA 0.141 56.218 56.100 -0.038 0.000 1.105 2091 R CB 0.574 30.863 30.300 -0.017 0.000 1.239 2091 R HN -0.137 nan 8.270 nan 0.000 0.620 2092 N N 0.879 119.577 118.700 -0.004 0.000 2.621 2092 N HA 0.003 4.742 4.740 -0.001 0.000 0.271 2092 N C -0.449 175.112 175.510 0.084 0.000 1.181 2092 N CA 0.048 53.130 53.050 0.053 0.000 0.805 2092 N CB 1.536 40.066 38.487 0.071 0.000 1.351 2092 N HN 0.091 nan 8.380 nan 0.000 0.539 2093 E N 2.129 122.394 120.200 0.108 0.000 2.085 2093 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 2093 E C 1.004 177.834 176.600 0.384 0.000 0.994 2093 E CA 1.358 57.874 56.400 0.193 0.000 0.801 2093 E CB 0.405 30.220 29.700 0.191 0.000 0.743 2093 E HN 0.418 nan 8.360 nan 0.000 0.453 2094 K N 0.114 120.726 120.400 0.354 0.000 2.026 2094 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 2094 K C 2.078 178.739 176.600 0.101 0.000 1.048 2094 K CA 1.099 57.572 56.287 0.309 0.000 0.929 2094 K CB -0.266 32.335 32.500 0.169 0.000 0.713 2094 K HN 0.101 nan 8.250 nan 0.000 0.439 2095 L N 0.355 121.604 121.223 0.043 0.000 2.083 2095 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 2095 L C 1.887 178.686 176.870 -0.118 0.000 1.083 2095 L CA 1.507 56.304 54.840 -0.071 0.000 0.752 2095 L CB -0.668 41.384 42.059 -0.012 0.000 0.899 2095 L HN 0.214 nan 8.230 nan 0.000 0.433 2096 F N -0.210 119.611 119.950 -0.215 0.000 2.065 2096 F HA -0.315 4.212 4.527 -0.001 0.000 0.298 2096 F C 2.100 177.663 175.800 -0.395 0.000 1.112 2096 F CA 2.041 59.808 58.000 -0.389 0.000 1.212 2096 F CB -0.881 37.844 39.000 -0.459 0.000 0.975 2096 F HN 0.165 nan 8.300 nan 0.000 0.476 2097 Y N -0.246 119.913 120.300 -0.235 0.000 2.352 2097 Y HA -0.166 4.383 4.550 -0.001 0.000 0.292 2097 Y C 2.572 178.321 175.900 -0.252 0.000 1.136 2097 Y CA 1.147 59.083 58.100 -0.274 0.000 1.227 2097 Y CB -0.435 38.128 38.460 0.172 0.000 0.991 2097 Y HN 0.050 nan 8.280 nan 0.000 0.545 2098 R N 0.888 121.323 120.500 -0.108 0.000 2.073 2098 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 2098 R C 1.773 177.942 176.300 -0.217 0.000 1.134 2098 R CA 1.664 57.667 56.100 -0.161 0.000 0.952 2098 R CB -1.035 29.144 30.300 -0.202 0.000 0.850 2098 R HN 0.250 nan 8.270 nan 0.000 0.433 2099 I N 0.250 120.592 120.570 -0.379 0.000 2.264 2099 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 2099 I C 1.652 177.550 176.117 -0.365 0.000 1.111 2099 I CA 1.008 61.994 61.300 -0.523 0.000 1.382 2099 I CB -0.325 37.022 38.000 -1.089 0.000 1.060 2099 I HN 0.198 nan 8.210 nan 0.000 0.418 2100 L N -0.336 120.642 121.223 -0.408 0.000 2.072 2100 L HA -0.162 4.177 4.340 -0.001 0.000 0.205 2100 L C 2.422 179.212 176.870 -0.134 0.000 1.079 2100 L CA 1.583 56.254 54.840 -0.281 0.000 0.752 2100 L CB -1.488 40.359 42.059 -0.353 0.000 0.906 2100 L HN 0.397 nan 8.230 nan 0.000 0.436 2101 Q N -0.501 119.231 119.800 -0.113 0.000 2.226 2101 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 2101 Q C 1.441 177.416 176.000 -0.042 0.000 0.975 2101 Q CA 1.472 57.237 55.803 -0.064 0.000 0.866 2101 Q CB 0.114 28.817 28.738 -0.059 0.000 0.915 2101 Q HN 0.428 nan 8.270 nan 0.000 0.440 2102 D N 0.694 121.081 120.400 -0.023 0.000 2.149 2102 D HA -0.105 4.534 4.640 -0.001 0.000 0.198 2102 D C 0.138 176.450 176.300 0.020 0.000 0.990 2102 D CA 1.264 55.283 54.000 0.032 0.000 0.839 2102 D CB 0.119 41.024 40.800 0.174 0.000 0.948 2102 D HN 0.192 nan 8.370 nan 0.000 0.460 2103 D N -1.125 119.293 120.400 0.030 0.000 2.934 2103 D HA 0.043 4.682 4.640 -0.001 0.000 0.249 2103 D C 0.759 177.065 176.300 0.011 0.000 1.293 2103 D CA -0.278 53.734 54.000 0.021 0.000 0.812 2103 D CB -0.118 40.705 40.800 0.039 0.000 1.439 2103 D HN -0.059 nan 8.370 nan 0.000 0.555 2104 I N 1.406 121.965 120.570 -0.019 0.000 2.286 2104 I HA -0.152 4.017 4.170 -0.001 0.000 0.248 2104 I C 2.010 178.113 176.117 -0.024 0.000 1.115 2104 I CA 1.506 62.783 61.300 -0.039 0.000 1.392 2104 I CB 0.255 38.217 38.000 -0.064 0.000 1.065 2104 I HN 0.341 nan 8.210 nan 0.000 0.418 2105 E N -0.075 120.118 120.200 -0.012 0.000 2.153 2105 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 2105 E C 2.123 178.738 176.600 0.025 0.000 0.988 2105 E CA 1.430 57.831 56.400 0.002 0.000 0.811 2105 E CB -0.069 29.640 29.700 0.014 0.000 0.746 2105 E HN 0.673 nan 8.360 nan 0.000 0.466 2106 S N -0.286 115.434 115.700 0.034 0.000 2.446 2106 S HA 0.076 4.545 4.470 -0.001 0.000 0.225 2106 S C 1.138 175.778 174.600 0.068 0.000 1.016 2106 S CA -0.135 58.097 58.200 0.052 0.000 0.943 2106 S CB -0.111 63.124 63.200 0.058 0.000 0.786 2106 S HN 0.106 nan 8.310 nan 0.000 0.508 2110 I N -0.319 120.336 120.570 0.142 0.000 2.429 2110 I HA 0.028 4.197 4.170 -0.001 0.000 0.247 2110 I C 2.007 178.304 176.117 0.301 0.000 1.099 2110 I CA 0.721 62.136 61.300 0.191 0.000 1.422 2110 I CB -0.705 37.405 38.000 0.183 0.000 1.112 2110 I HN -0.170 nan 8.210 nan 0.000 0.430 2111 V N -0.320 119.750 119.914 0.260 0.000 2.719 2111 V HA -0.144 3.975 4.120 -0.001 0.000 0.252 2111 V C 1.134 177.450 176.094 0.370 0.000 1.065 2111 V CA 1.127 63.605 62.300 0.295 0.000 1.086 2111 V CB -0.032 31.885 31.823 0.156 0.000 0.700 2111 V HN 0.300 nan 8.190 nan 0.000 0.467 2112 Y N -0.345 120.031 120.300 0.127 0.000 3.012 2112 Y HA 0.433 4.982 4.550 -0.001 0.000 0.324 2112 Y C 0.844 176.775 175.900 0.051 0.000 1.342 2112 Y CA -0.770 57.385 58.100 0.092 0.000 1.076 2112 Y CB 0.886 39.386 38.460 0.067 0.000 1.372 2112 Y HN -0.109 nan 8.280 nan 0.000 0.688 2113 T N 3.843 118.186 114.554 -0.353 0.000 2.940 2113 T HA 0.155 4.504 4.350 -0.001 0.000 0.309 2113 T C -1.951 172.693 174.700 -0.093 0.000 1.056 2113 T CA -1.049 60.883 62.100 -0.281 0.000 1.137 2113 T CB 0.511 69.137 68.868 -0.403 0.000 0.976 2113 T HN 0.483 nan 8.240 nan 0.000 0.547 2114 P HA 0.161 nan 4.420 nan 0.000 0.259 2114 P C 1.233 178.481 177.300 -0.087 0.000 1.233 2114 P CA 0.185 63.219 63.100 -0.111 0.000 0.827 2114 P CB 0.173 31.808 31.700 -0.108 0.000 1.154 2115 T N 0.100 114.628 114.554 -0.043 0.000 2.881 2115 T HA -0.092 4.257 4.350 -0.001 0.000 0.270 2115 T C 1.776 176.391 174.700 -0.143 0.000 1.068 2115 T CA 0.917 62.982 62.100 -0.058 0.000 1.131 2115 T CB -0.878 68.004 68.868 0.023 0.000 0.871 2115 T HN -0.086 nan 8.240 nan 0.000 0.479 2116 V N 1.532 121.397 119.914 -0.082 0.000 2.515 2116 V HA -0.039 4.081 4.120 -0.001 0.000 0.250 2116 V C 2.515 178.515 176.094 -0.158 0.000 1.058 2116 V CA 2.093 64.330 62.300 -0.104 0.000 1.064 2116 V CB -0.939 30.900 31.823 0.028 0.000 0.675 2116 V HN 0.571 nan 8.190 nan 0.000 0.461 2117 G N -0.336 108.379 108.800 -0.142 0.000 2.408 2117 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 2117 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 2117 G C 1.480 176.304 174.900 -0.127 0.000 1.150 2117 G CA 1.048 46.072 45.100 -0.127 0.000 0.776 2117 G HN 0.511 nan 8.290 nan 0.000 0.542 2118 L N 1.345 122.480 121.223 -0.147 0.000 2.072 2118 L HA 0.276 4.615 4.340 -0.001 0.000 0.205 2118 L C 2.973 179.728 176.870 -0.192 0.000 1.079 2118 L CA 2.059 56.812 54.840 -0.146 0.000 0.752 2118 L CB -0.838 41.140 42.059 -0.134 0.000 0.906 2118 L HN 0.199 nan 8.230 nan 0.000 0.436 2119 A N -1.073 121.559 122.820 -0.313 0.000 1.908 2119 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 2119 A C 2.420 179.944 177.584 -0.100 0.000 1.181 2119 A CA 1.887 53.709 52.037 -0.360 0.000 0.627 2119 A CB -1.519 16.937 19.000 -0.905 0.000 0.818 2119 A HN 0.631 nan 8.150 nan 0.000 0.445 2120 C N -0.057 119.168 119.300 -0.126 0.000 2.442 2120 C HA -0.109 4.350 4.460 -0.001 0.000 0.279 2120 C C 3.312 178.272 174.990 -0.051 0.000 1.237 2120 C CA 1.628 60.568 59.018 -0.130 0.000 1.722 2120 C CB -1.216 26.431 27.740 -0.154 0.000 2.056 2120 C HN 0.797 nan 8.230 nan 0.000 0.469 2121 S N -0.377 115.303 115.700 -0.035 0.000 2.537 2121 S HA -0.181 4.288 4.470 -0.001 0.000 0.240 2121 S C 1.315 175.879 174.600 -0.059 0.000 0.981 2121 S CA 1.448 59.668 58.200 0.033 0.000 0.948 2121 S CB -0.417 62.781 63.200 -0.004 0.000 0.759 2121 S HN 0.764 nan 8.310 nan 0.000 0.531 2122 Q N -1.536 118.157 119.800 -0.178 0.000 2.149 2122 Q HA 0.366 4.706 4.340 -0.001 0.000 0.221 2122 Q C 0.614 176.434 176.000 -0.301 0.000 0.807 2122 Q CA -0.423 55.206 55.803 -0.290 0.000 1.000 2122 Q CB -0.055 28.548 28.738 -0.225 0.000 1.157 2122 Q HN 0.459 nan 8.270 nan 0.000 0.487 2123 Y N -0.139 119.792 120.300 -0.615 0.000 2.096 2123 Y HA -0.256 4.293 4.550 -0.001 0.000 0.278 2123 Y C 2.028 177.702 175.900 -0.376 0.000 1.192 2123 Y CA 2.318 60.118 58.100 -0.501 0.000 1.143 2123 Y CB -0.431 37.747 38.460 -0.469 0.000 0.963 2123 Y HN 0.317 nan 8.280 nan 0.000 0.505 2124 G N -2.704 105.755 108.800 -0.569 0.000 2.484 2124 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 2124 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 2124 G C 1.111 176.051 174.900 0.066 0.000 1.130 2124 G CA 0.875 46.006 45.100 0.052 0.000 0.784 2124 G HN 0.455 nan 8.290 nan 0.000 0.543 2125 H N 0.181 119.115 119.070 -0.227 0.000 2.482 2125 H HA 0.126 4.681 4.556 -0.001 0.000 0.286 2125 H C 2.376 177.573 175.328 -0.218 0.000 1.017 2125 H CA 0.814 56.658 56.048 -0.340 0.000 1.322 2125 H CB -0.037 29.560 29.762 -0.274 0.000 1.426 2125 H HN 0.561 nan 8.280 nan 0.000 0.546 2126 I N -3.097 117.459 120.570 -0.023 0.000 3.883 2126 I HA 0.145 4.314 4.170 -0.001 0.000 0.326 2126 I C 0.263 176.341 176.117 -0.064 0.000 1.283 2126 I CA -0.394 60.880 61.300 -0.043 0.000 1.161 2126 I CB -0.228 37.751 38.000 -0.035 0.000 1.012 2126 I HN -0.138 nan 8.210 nan 0.000 0.421 2127 F N 3.003 122.831 119.950 -0.203 0.000 2.629 2127 F HA 0.075 4.601 4.527 -0.001 0.000 0.377 2127 F C 1.209 176.933 175.800 -0.128 0.000 1.101 2127 F CA 0.753 58.628 58.000 -0.208 0.000 1.301 2127 F CB 0.456 39.351 39.000 -0.174 0.000 1.062 2127 F HN 0.015 nan 8.300 nan 0.000 0.583 2128 R N 2.929 122.822 120.500 -1.012 0.000 2.840 2128 R HA 0.320 4.660 4.340 -0.001 0.000 0.173 2128 R C -0.404 175.332 176.300 -0.940 0.000 0.791 2128 R CA -0.434 55.263 56.100 -0.672 0.000 1.069 2128 R CB 0.584 30.675 30.300 -0.349 0.000 1.537 2128 R HN 0.511 nan 8.270 nan 0.000 0.609 2129 R N 1.190 121.055 120.500 -1.058 0.000 2.698 2129 R HA 0.389 4.728 4.340 -0.001 0.000 0.275 2129 R C -2.749 173.252 176.300 -0.498 0.000 1.001 2129 R CA -1.797 53.921 56.100 -0.637 0.000 0.896 2129 R CB 2.293 32.414 30.300 -0.299 0.000 1.218 2129 R HN -0.011 nan 8.270 nan 0.000 0.462 2130 P HA 0.310 nan 4.420 nan 0.000 0.278 2130 P C -1.304 176.131 177.300 0.226 0.000 1.258 2130 P CA -0.551 62.711 63.100 0.270 0.000 0.811 2130 P CB 1.049 32.993 31.700 0.407 0.000 1.063 2131 K N 0.371 120.975 120.400 0.340 0.000 2.513 2131 K HA 0.620 4.939 4.320 -0.001 0.000 0.251 2131 K C -0.239 176.438 176.600 0.129 0.000 0.939 2131 K CA -0.508 55.903 56.287 0.206 0.000 0.793 2131 K CB 1.997 34.570 32.500 0.121 0.000 1.241 2131 K HN 0.914 nan 8.250 nan 0.000 0.431 2132 G N 1.558 110.449 108.800 0.153 0.000 2.728 2132 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.294 2132 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.294 2132 G C -1.254 173.538 174.900 -0.180 0.000 1.342 2132 G CA -1.020 44.004 45.100 -0.128 0.000 0.866 2132 G HN 0.421 nan 8.290 nan 0.000 0.534 2133 L N -0.309 120.630 121.223 -0.474 0.000 2.307 2133 L HA 0.725 5.064 4.340 -0.001 0.000 0.282 2133 L C -0.450 176.147 176.870 -0.456 0.000 1.051 2133 L CA -0.609 54.059 54.840 -0.286 0.000 0.804 2133 L CB 1.075 42.928 42.059 -0.343 0.000 1.197 2133 L HN 0.451 nan 8.230 nan 0.000 0.431 2134 F N 4.363 124.294 119.950 -0.032 0.000 2.477 2134 F HA 0.495 5.021 4.527 -0.001 0.000 0.335 2134 F C 0.009 175.773 175.800 -0.061 0.000 1.130 2134 F CA -0.413 57.552 58.000 -0.058 0.000 0.948 2134 F CB 1.493 40.478 39.000 -0.025 0.000 1.154 2134 F HN 0.162 nan 8.300 nan 0.000 0.439 2135 I N 3.071 123.664 120.570 0.039 0.000 2.410 2135 I HA 0.329 4.498 4.170 -0.001 0.000 0.286 2135 I C -0.318 175.803 176.117 0.006 0.000 1.009 2135 I CA -0.428 60.874 61.300 0.004 0.000 1.111 2135 I CB 1.737 39.687 38.000 -0.085 0.000 1.262 2135 I HN 0.608 nan 8.210 nan 0.000 0.443 2136 S N 5.102 120.823 115.700 0.035 0.000 2.638 2136 S HA 0.402 4.871 4.470 -0.001 0.000 0.298 2136 S C 0.846 175.473 174.600 0.046 0.000 1.111 2136 S CA -0.674 57.547 58.200 0.035 0.000 1.027 2136 S CB 1.873 65.090 63.200 0.028 0.000 1.064 2136 S HN 0.579 nan 8.310 nan 0.000 0.525 2137 I N 2.132 122.738 120.570 0.060 0.000 2.530 2137 I HA -0.102 4.068 4.170 -0.001 0.000 0.257 2137 I C 2.059 178.219 176.117 0.071 0.000 1.179 2137 I CA 1.467 62.814 61.300 0.078 0.000 1.440 2137 I CB -0.747 37.312 38.000 0.099 0.000 1.087 2137 I HN 0.759 nan 8.210 nan 0.000 0.440 2138 S N 0.042 115.776 115.700 0.058 0.000 2.515 2138 S HA -0.051 4.419 4.470 -0.001 0.000 0.231 2138 S C 1.247 175.885 174.600 0.062 0.000 0.987 2138 S CA 0.863 59.094 58.200 0.053 0.000 0.936 2138 S CB -0.316 62.904 63.200 0.033 0.000 0.766 2138 S HN 0.536 nan 8.310 nan 0.000 0.528 2139 D N 1.541 121.984 120.400 0.073 0.000 2.340 2139 D HA 0.035 4.674 4.640 -0.001 0.000 0.217 2139 D C 0.425 176.819 176.300 0.157 0.000 1.081 2139 D CA -0.049 54.013 54.000 0.104 0.000 0.842 2139 D CB 0.188 41.038 40.800 0.083 0.000 0.934 2139 D HN 0.538 nan 8.370 nan 0.000 0.511 2140 R N 0.058 120.631 120.500 0.123 0.000 2.583 2140 R HA 0.254 4.593 4.340 -0.001 0.000 0.274 2140 R C 1.111 177.473 176.300 0.104 0.000 0.998 2140 R CA 0.741 56.900 56.100 0.098 0.000 1.081 2140 R CB -0.013 30.335 30.300 0.079 0.000 0.940 2140 R HN -0.018 nan 8.270 nan 0.000 0.413 2141 G N 1.343 110.145 108.800 0.004 0.000 2.217 2141 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.246 2141 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.246 2141 G C 0.322 174.984 174.900 -0.396 0.000 0.990 2141 G CA 0.273 45.270 45.100 -0.172 0.000 0.627 2141 G HN 0.823 nan 8.290 nan 0.000 0.522 2142 H N -0.414 118.670 119.070 0.024 0.000 2.665 2142 H HA 0.384 4.939 4.556 -0.001 0.000 0.248 2142 H C 1.773 177.116 175.328 0.026 0.000 1.175 2142 H CA 0.424 56.486 56.048 0.023 0.000 0.952 2142 H CB 0.596 30.372 29.762 0.023 0.000 1.883 2142 H HN 0.249 nan 8.280 nan 0.000 0.623 2143 V N 0.636 120.606 119.914 0.094 0.000 2.548 2143 V HA -0.206 3.913 4.120 -0.001 0.000 0.249 2143 V C 2.681 178.812 176.094 0.062 0.000 1.055 2143 V CA 1.601 63.949 62.300 0.081 0.000 1.065 2143 V CB -0.190 31.675 31.823 0.071 0.000 0.681 2143 V HN 0.195 nan 8.190 nan 0.000 0.462 2144 R N 1.669 122.188 120.500 0.032 0.000 2.115 2144 R HA -0.123 4.216 4.340 -0.001 0.000 0.230 2144 R C 2.486 178.804 176.300 0.030 0.000 1.111 2144 R CA 1.870 57.975 56.100 0.009 0.000 0.976 2144 R CB -0.819 29.471 30.300 -0.017 0.000 0.870 2144 R HN 0.657 nan 8.270 nan 0.000 0.445 2145 S N -0.804 114.933 115.700 0.062 0.000 2.406 2145 S HA -0.061 4.409 4.470 -0.001 0.000 0.228 2145 S C 2.075 176.723 174.600 0.080 0.000 1.020 2145 S CA 1.000 59.244 58.200 0.072 0.000 0.965 2145 S CB -0.353 62.910 63.200 0.105 0.000 0.798 2145 S HN 0.345 nan 8.310 nan 0.000 0.488 2146 I N 1.110 121.735 120.570 0.091 0.000 2.233 2146 I HA -0.093 4.077 4.170 -0.001 0.000 0.243 2146 I C 2.479 178.668 176.117 0.120 0.000 1.093 2146 I CA 0.842 62.205 61.300 0.104 0.000 1.380 2146 I CB -0.244 37.816 38.000 0.100 0.000 1.067 2146 I HN 0.184 nan 8.210 nan 0.000 0.413 2147 V N 0.592 120.562 119.914 0.093 0.000 2.392 2147 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 2147 V C 1.763 177.929 176.094 0.120 0.000 1.059 2147 V CA 1.925 64.283 62.300 0.097 0.000 1.051 2147 V CB -0.635 31.205 31.823 0.028 0.000 0.658 2147 V HN 0.420 nan 8.190 nan 0.000 0.455 2148 D N -0.196 120.245 120.400 0.068 0.000 2.348 2148 D HA -0.079 4.560 4.640 -0.001 0.000 0.216 2148 D C 1.760 178.125 176.300 0.108 0.000 0.970 2148 D CA 0.519 54.551 54.000 0.054 0.000 0.889 2148 D CB -0.246 40.565 40.800 0.018 0.000 0.912 2148 D HN 0.377 nan 8.370 nan 0.000 0.524 2149 N N -0.359 118.431 118.700 0.151 0.000 2.463 2149 N HA -0.075 4.665 4.740 -0.001 0.000 0.181 2149 N C 0.176 175.814 175.510 0.214 0.000 1.078 2149 N CA -0.035 53.106 53.050 0.151 0.000 0.902 2149 N CB 0.055 38.629 38.487 0.145 0.000 0.970 2149 N HN 0.343 nan 8.380 nan 0.000 0.451 2150 W N 2.700 124.042 121.300 0.070 0.000 2.308 2150 W HA 0.048 4.707 4.660 -0.001 0.000 0.324 2150 W C -1.589 174.984 176.519 0.089 0.000 1.387 2150 W CA -1.307 56.091 57.345 0.089 0.000 1.250 2150 W CB 0.960 30.506 29.460 0.143 0.000 1.257 2150 W HN 0.099 nan 8.180 nan 0.000 0.554 2151 P HA -0.172 nan 4.420 nan 0.000 0.216 2151 P C -0.063 177.109 177.300 -0.213 0.000 1.150 2151 P CA 1.605 64.503 63.100 -0.338 0.000 0.837 2151 P CB 0.154 31.584 31.700 -0.450 0.000 0.786 2152 E N 0.376 120.391 120.200 -0.309 0.000 2.338 2152 E HA 0.067 4.417 4.350 -0.001 0.000 0.272 2152 E C 0.563 177.348 176.600 0.308 0.000 1.029 2152 E CA 0.038 56.459 56.400 0.036 0.000 0.872 2152 E CB 0.092 29.862 29.700 0.117 0.000 1.015 2152 E HN 0.158 nan 8.360 nan 0.000 0.417 2153 N N 0.878 119.736 118.700 0.265 0.000 2.280 2153 N HA -0.051 4.688 4.740 -0.001 0.000 0.192 2153 N C 0.262 176.028 175.510 0.427 0.000 1.109 2153 N CA 0.319 53.579 53.050 0.351 0.000 0.855 2153 N CB 0.234 38.829 38.487 0.180 0.000 0.974 2153 N HN 0.494 nan 8.380 nan 0.000 0.482 2154 H N 0.082 119.276 119.070 0.206 0.000 2.651 2154 H HA 0.282 4.837 4.556 -0.001 0.000 0.241 2154 H C -0.474 174.797 175.328 -0.096 0.000 1.225 2154 H CA -0.326 55.790 56.048 0.114 0.000 0.942 2154 H CB 0.326 30.138 29.762 0.083 0.000 1.996 2154 H HN -0.252 nan 8.280 nan 0.000 0.600 2155 V N 1.848 121.564 119.914 -0.329 0.000 2.843 2155 V HA -0.143 3.976 4.120 -0.001 0.000 0.305 2155 V C 1.004 176.964 176.094 -0.224 0.000 1.120 2155 V CA 1.007 63.015 62.300 -0.485 0.000 1.254 2155 V CB 1.009 32.161 31.823 -1.118 0.000 0.901 2155 V HN 0.630 nan 8.190 nan 0.000 0.503 2156 K N 2.115 122.445 120.400 -0.117 0.000 2.511 2156 K HA 0.430 4.750 4.320 -0.001 0.000 0.206 2156 K C 0.200 176.793 176.600 -0.013 0.000 1.333 2156 K CA 0.643 56.923 56.287 -0.012 0.000 0.957 2156 K CB 1.464 33.977 32.500 0.021 0.000 1.172 2156 K HN 0.714 nan 8.250 nan 0.000 0.547 2157 A N 1.444 124.230 122.820 -0.057 0.000 2.422 2157 A HA 0.643 4.962 4.320 -0.001 0.000 0.302 2157 A C -0.973 176.501 177.584 -0.183 0.000 1.041 2157 A CA -0.523 51.495 52.037 -0.031 0.000 0.708 2157 A CB 1.785 20.873 19.000 0.148 0.000 1.257 2157 A HN -0.094 nan 8.150 nan 0.000 0.414 2158 V N 1.895 121.701 119.914 -0.179 0.000 2.735 2158 V HA 0.613 4.732 4.120 -0.001 0.000 0.310 2158 V C -0.696 175.239 176.094 -0.266 0.000 1.061 2158 V CA -0.557 61.591 62.300 -0.253 0.000 0.913 2158 V CB 1.991 33.691 31.823 -0.205 0.000 1.005 2158 V HN 0.713 nan 8.190 nan 0.000 0.428 2159 V N 4.660 124.381 119.914 -0.323 0.000 2.443 2159 V HA 0.562 4.682 4.120 -0.001 0.000 0.293 2159 V C -0.477 175.432 176.094 -0.308 0.000 1.021 2159 V CA -0.548 61.565 62.300 -0.313 0.000 0.848 2159 V CB 1.878 33.499 31.823 -0.337 0.000 0.998 2159 V HN 0.616 nan 8.190 nan 0.000 0.424 2160 V N 4.691 124.416 119.914 -0.315 0.000 2.769 2160 V HA 0.868 4.988 4.120 -0.001 0.000 0.312 2160 V C -0.297 175.738 176.094 -0.099 0.000 1.061 2160 V CA 0.136 62.249 62.300 -0.312 0.000 0.931 2160 V CB 2.549 34.093 31.823 -0.466 0.000 1.010 2160 V HN 0.959 nan 8.190 nan 0.000 0.433 2161 T N 2.463 116.905 114.554 -0.187 0.000 2.883 2161 T HA 0.440 4.789 4.350 -0.001 0.000 0.301 2161 T C -0.415 173.936 174.700 -0.583 0.000 1.158 2161 T CA 0.128 62.038 62.100 -0.317 0.000 1.007 2161 T CB 1.726 70.445 68.868 -0.249 0.000 1.186 2161 T HN 0.939 nan 8.240 nan 0.000 0.499 2162 D N 0.470 120.286 120.400 -0.973 0.000 2.433 2162 D HA 0.219 4.858 4.640 -0.001 0.000 0.211 2162 D C 1.344 177.438 176.300 -0.342 0.000 1.114 2162 D CA 0.699 54.345 54.000 -0.590 0.000 0.837 2162 D CB -0.255 40.196 40.800 -0.581 0.000 0.984 2162 D HN 1.078 nan 8.370 nan 0.000 0.505 2163 G N 1.499 110.097 108.800 -0.337 0.000 2.168 2163 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.257 2163 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.257 2163 G C 0.681 175.504 174.900 -0.130 0.000 0.997 2163 G CA 0.667 45.658 45.100 -0.182 0.000 0.708 2163 G HN 0.512 nan 8.290 nan 0.000 0.520 2164 E N -0.601 119.509 120.200 -0.149 0.000 2.385 2164 E HA 0.099 4.448 4.350 -0.001 0.000 0.194 2164 E C 1.560 178.129 176.600 -0.052 0.000 1.013 2164 E CA 0.079 56.429 56.400 -0.083 0.000 0.866 2164 E CB 0.083 29.745 29.700 -0.064 0.000 0.832 2164 E HN 0.297 nan 8.360 nan 0.000 0.500 2165 R N 1.430 121.898 120.500 -0.053 0.000 2.653 2165 R HA 0.180 4.519 4.340 -0.001 0.000 0.269 2165 R C -1.095 175.179 176.300 -0.043 0.000 1.603 2165 R CA -0.432 55.649 56.100 -0.031 0.000 1.671 2165 R CB 0.265 30.564 30.300 -0.002 0.000 1.300 2165 R HN 0.099 nan 8.270 nan 0.000 0.668 2166 I N 5.177 125.714 120.570 -0.055 0.000 2.389 2166 I HA 0.038 4.207 4.170 -0.001 0.000 0.295 2166 I C 1.545 177.624 176.117 -0.064 0.000 1.117 2166 I CA 0.480 61.741 61.300 -0.066 0.000 1.317 2166 I CB -0.581 37.379 38.000 -0.067 0.000 1.431 2166 I HN 0.607 nan 8.210 nan 0.000 0.521 2167 L N 4.796 125.979 121.223 -0.068 0.000 6.519 2167 L HA -0.306 4.033 4.340 -0.001 0.000 0.053 2167 L C 1.404 178.241 176.870 -0.056 0.000 1.992 2167 L CA 1.372 56.168 54.840 -0.074 0.000 1.661 2167 L CB -1.416 40.585 42.059 -0.097 0.000 2.744 2167 L HN 0.654 nan 8.230 nan 0.000 1.041 2168 G N -1.019 107.746 108.800 -0.058 0.000 3.434 2168 G HA2 0.405 4.365 3.960 -0.001 0.000 0.258 2168 G HA3 0.405 4.365 3.960 -0.001 0.000 0.258 2168 G C 0.606 175.481 174.900 -0.043 0.000 1.128 2168 G CA -0.138 44.934 45.100 -0.048 0.000 0.792 2168 G HN 0.189 nan 8.290 nan 0.000 0.539 2169 L N 0.293 121.489 121.223 -0.044 0.000 2.558 2169 L HA 0.349 4.688 4.340 -0.001 0.000 0.225 2169 L C 1.802 178.655 176.870 -0.029 0.000 1.128 2169 L CA 0.749 55.568 54.840 -0.035 0.000 0.868 2169 L CB -0.710 41.327 42.059 -0.037 0.000 1.006 2169 L HN 0.398 nan 8.230 nan 0.000 0.454 2170 G N -0.391 108.390 108.800 -0.032 0.000 2.512 2170 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.240 2170 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.240 2170 G C -0.269 174.612 174.900 -0.033 0.000 1.246 2170 G CA -0.047 45.035 45.100 -0.029 0.000 0.919 2170 G HN 0.198 nan 8.290 nan 0.000 0.577 2171 D N 1.263 121.643 120.400 -0.035 0.000 2.352 2171 D HA 0.432 5.071 4.640 -0.001 0.000 0.245 2171 D C 1.357 177.636 176.300 -0.036 0.000 1.224 2171 D CA -0.079 53.895 54.000 -0.043 0.000 0.879 2171 D CB 0.233 41.002 40.800 -0.051 0.000 1.057 2171 D HN 0.390 nan 8.370 nan 0.000 0.491 2172 L N 3.091 124.304 121.223 -0.017 0.000 2.766 2172 L HA 0.275 4.614 4.340 -0.001 0.000 0.242 2172 L C 1.658 178.567 176.870 0.065 0.000 1.136 2172 L CA -0.016 54.844 54.840 0.033 0.000 0.933 2172 L CB -0.095 42.011 42.059 0.078 0.000 1.241 2172 L HN 0.645 nan 8.230 nan 0.000 0.522 2173 G N 0.852 109.666 108.800 0.025 0.000 2.596 2173 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.295 2173 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.295 2173 G C 0.724 175.685 174.900 0.103 0.000 1.240 2173 G CA 0.250 45.403 45.100 0.088 0.000 0.985 2173 G HN -0.087 nan 8.290 nan 0.000 0.555 2174 V N 0.717 120.712 119.914 0.135 0.000 3.141 2174 V HA -0.031 4.089 4.120 -0.001 0.000 0.265 2174 V C 2.158 178.375 176.094 0.204 0.000 1.126 2174 V CA 2.221 64.562 62.300 0.069 0.000 1.141 2174 V CB -0.791 30.968 31.823 -0.107 0.000 0.743 2174 V HN 0.543 nan 8.190 nan 0.000 0.492 2175 Y N 0.781 121.123 120.300 0.070 0.000 2.574 2175 Y HA 0.049 4.598 4.550 -0.001 0.000 0.294 2175 Y C 1.923 177.656 175.900 -0.278 0.000 1.142 2175 Y CA -0.180 57.941 58.100 0.036 0.000 1.314 2175 Y CB 0.068 38.621 38.460 0.155 0.000 0.991 2175 Y HN 0.443 nan 8.280 nan 0.000 0.555 2179 I N 2.178 122.666 120.570 -0.137 0.000 2.163 2179 I HA -0.009 4.160 4.170 -0.001 0.000 0.240 2179 I C -0.206 175.874 176.117 -0.061 0.000 1.081 2179 I CA 1.317 62.574 61.300 -0.071 0.000 1.353 2179 I CB -1.928 36.012 38.000 -0.099 0.000 1.054 2179 I HN 0.047 nan 8.210 nan 0.000 0.407 2180 P HA -0.072 nan 4.420 nan 0.000 0.218 2180 P C 2.268 179.497 177.300 -0.118 0.000 1.148 2180 P CA 0.978 63.985 63.100 -0.156 0.000 0.822 2180 P CB 0.009 31.578 31.700 -0.219 0.000 0.784 2181 V N 0.277 120.151 119.914 -0.066 0.000 2.237 2181 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 2181 V C 2.660 178.784 176.094 0.050 0.000 1.046 2181 V CA 2.630 64.925 62.300 -0.009 0.000 1.007 2181 V CB -1.884 29.976 31.823 0.061 0.000 0.638 2181 V HN 0.162 nan 8.190 nan 0.000 0.445 2182 G N -0.771 108.093 108.800 0.108 0.000 2.422 2182 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 2182 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 2182 G C 1.627 176.644 174.900 0.196 0.000 1.146 2182 G CA 1.060 46.272 45.100 0.187 0.000 0.769 2182 G HN 0.424 nan 8.290 nan 0.000 0.547 2183 K N -0.086 120.394 120.400 0.133 0.000 2.097 2183 K HA 0.123 4.442 4.320 -0.001 0.000 0.206 2183 K C 2.384 179.093 176.600 0.181 0.000 1.049 2183 K CA 0.729 57.089 56.287 0.121 0.000 0.933 2183 K CB -0.329 32.113 32.500 -0.096 0.000 0.717 2183 K HN 0.331 nan 8.250 nan 0.000 0.442 2184 L N -0.507 120.717 121.223 0.000 0.000 2.313 2184 L HA -0.141 4.198 4.340 -0.001 0.000 0.214 2184 L C 2.087 179.060 176.870 0.171 0.000 1.119 2184 L CA 0.311 55.096 54.840 -0.092 0.000 0.809 2184 L CB -0.158 41.743 42.059 -0.262 0.000 0.933 2184 L HN 0.276 nan 8.230 nan 0.000 0.449 2185 C N -0.069 119.368 119.300 0.229 0.000 2.429 2185 C HA -0.148 4.311 4.460 -0.001 0.000 0.277 2185 C C 2.618 177.812 174.990 0.341 0.000 1.262 2185 C CA 0.616 59.855 59.018 0.369 0.000 1.733 2185 C CB -0.708 27.227 27.740 0.325 0.000 2.010 2185 C HN 0.447 nan 8.230 nan 0.000 0.483 2186 L N -1.188 120.200 121.223 0.276 0.000 2.201 2186 L HA -0.123 4.216 4.340 -0.001 0.000 0.212 2186 L C 2.407 179.407 176.870 0.215 0.000 1.105 2186 L CA 1.183 56.132 54.840 0.181 0.000 0.775 2186 L CB -0.706 41.427 42.059 0.124 0.000 0.913 2186 L HN 0.295 nan 8.230 nan 0.000 0.440 2187 Y N 0.767 121.155 120.300 0.147 0.000 2.128 2187 Y HA -0.280 4.270 4.550 -0.001 0.000 0.284 2187 Y C 2.841 178.735 175.900 -0.011 0.000 1.154 2187 Y CA 1.951 60.109 58.100 0.097 0.000 1.149 2187 Y CB -0.760 37.752 38.460 0.088 0.000 0.976 2187 Y HN 0.113 nan 8.280 nan 0.000 0.505 2188 T N -0.771 113.851 114.554 0.114 0.000 2.894 2188 T HA -0.021 4.328 4.350 -0.001 0.000 0.258 2188 T C 2.153 176.815 174.700 -0.064 0.000 1.043 2188 T CA 1.018 63.038 62.100 -0.133 0.000 1.141 2188 T CB -0.521 67.962 68.868 -0.643 0.000 0.873 2188 T HN 0.356 nan 8.240 nan 0.000 0.449 2189 A N 0.335 123.194 122.820 0.065 0.000 1.930 2189 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 2189 A C 2.529 180.106 177.584 -0.012 0.000 1.175 2189 A CA 1.312 53.394 52.037 0.075 0.000 0.627 2189 A CB -1.021 18.032 19.000 0.088 0.000 0.815 2189 A HN 0.622 nan 8.150 nan 0.000 0.443 2190 C N -2.211 117.058 119.300 -0.051 0.000 2.524 2190 C HA 0.476 4.936 4.460 -0.001 0.000 0.284 2190 C C 2.675 177.607 174.990 -0.097 0.000 1.346 2190 C CA 0.551 59.503 59.018 -0.110 0.000 1.739 2190 C CB -0.424 27.193 27.740 -0.206 0.000 2.119 2190 C HN 0.669 nan 8.230 nan 0.000 0.501 2191 A N -0.586 122.180 122.820 -0.089 0.000 2.508 2191 A HA 0.515 4.834 4.320 -0.001 0.000 0.257 2191 A C 1.426 178.985 177.584 -0.042 0.000 1.226 2191 A CA 0.919 52.906 52.037 -0.083 0.000 0.947 2191 A CB -0.513 18.407 19.000 -0.133 0.000 1.079 2191 A HN 1.139 nan 8.150 nan 0.000 0.531 2192 G N 0.070 108.866 108.800 -0.007 0.000 2.221 2192 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.265 2192 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.265 2192 G C 0.013 174.951 174.900 0.063 0.000 1.041 2192 G CA 0.470 45.604 45.100 0.056 0.000 0.807 2192 G HN 0.481 nan 8.290 nan 0.000 0.502 2193 I N 0.308 120.881 120.570 0.005 0.000 2.474 2193 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 2193 I C 1.400 177.439 176.117 -0.130 0.000 1.048 2193 I CA -0.708 60.588 61.300 -0.007 0.000 1.383 2193 I CB 0.694 38.737 38.000 0.071 0.000 1.412 2193 I HN 0.091 nan 8.210 nan 0.000 0.531 2194 R N 7.927 128.335 120.500 -0.153 0.000 2.480 2194 R HA 0.004 4.344 4.340 -0.001 0.000 0.303 2194 R C -1.389 174.637 176.300 -0.456 0.000 0.985 2194 R CA -0.917 54.938 56.100 -0.408 0.000 1.051 2194 R CB 0.098 30.275 30.300 -0.206 0.000 0.935 2194 R HN 0.445 nan 8.270 nan 0.000 0.410 2195 P HA -0.206 nan 4.420 nan 0.000 0.216 2195 P C 0.421 177.592 177.300 -0.215 0.000 1.150 2195 P CA 1.378 64.210 63.100 -0.447 0.000 0.837 2195 P CB 0.108 31.490 31.700 -0.531 0.000 0.786 2196 D N -0.962 119.313 120.400 -0.208 0.000 2.363 2196 D HA -0.108 4.531 4.640 -0.001 0.000 0.226 2196 D C 1.362 177.646 176.300 -0.027 0.000 1.020 2196 D CA 0.473 54.431 54.000 -0.071 0.000 0.892 2196 D CB -0.520 40.248 40.800 -0.054 0.000 0.900 2196 D HN 0.128 nan 8.370 nan 0.000 0.531 2197 R N -0.339 120.111 120.500 -0.082 0.000 2.432 2197 R HA 0.237 4.576 4.340 -0.001 0.000 0.260 2197 R C -0.220 176.022 176.300 -0.097 0.000 0.935 2197 R CA -0.187 55.868 56.100 -0.075 0.000 1.080 2197 R CB 0.065 30.309 30.300 -0.093 0.000 1.155 2197 R HN 0.159 nan 8.270 nan 0.000 0.531 2198 C N 1.333 120.578 119.300 -0.091 0.000 2.435 2198 C HA 0.657 5.117 4.460 -0.001 0.000 0.333 2198 C C -0.256 174.638 174.990 -0.160 0.000 1.202 2198 C CA -0.974 57.952 59.018 -0.153 0.000 1.830 2198 C CB 1.290 28.928 27.740 -0.169 0.000 2.326 2198 C HN 0.325 nan 8.230 nan 0.000 0.507 2199 L N 5.171 126.212 121.223 -0.303 0.000 2.541 2199 L HA 0.605 4.944 4.340 -0.001 0.000 0.266 2199 L C -2.866 173.731 176.870 -0.456 0.000 0.966 2199 L CA -1.458 53.102 54.840 -0.468 0.000 0.871 2199 L CB 1.782 43.420 42.059 -0.702 0.000 1.232 2199 L HN 0.403 nan 8.230 nan 0.000 0.408 2200 P HA 0.502 nan 4.420 nan 0.000 0.290 2200 P C -1.328 175.696 177.300 -0.460 0.000 1.276 2200 P CA -0.352 62.524 63.100 -0.373 0.000 0.808 2200 P CB 1.897 33.437 31.700 -0.266 0.000 0.966 2201 V N 2.690 122.342 119.914 -0.436 0.000 2.876 2201 V HA 0.480 4.599 4.120 -0.001 0.000 0.312 2201 V C -0.465 175.344 176.094 -0.473 0.000 1.085 2201 V CA -0.554 61.450 62.300 -0.494 0.000 0.945 2201 V CB 2.572 34.106 31.823 -0.481 0.000 1.017 2201 V HN 0.723 nan 8.190 nan 0.000 0.428 2202 C N 5.721 124.726 119.300 -0.493 0.000 2.396 2202 C HA 0.661 5.121 4.460 -0.001 0.000 0.321 2202 C C -0.669 174.151 174.990 -0.283 0.000 1.233 2202 C CA -0.489 58.313 59.018 -0.360 0.000 1.440 2202 C CB 0.122 27.692 27.740 -0.284 0.000 2.110 2202 C HN 0.733 nan 8.230 nan 0.000 0.473 2203 I N 5.342 125.748 120.570 -0.273 0.000 2.307 2203 I HA 0.267 4.436 4.170 -0.001 0.000 0.289 2203 I C -0.114 175.958 176.117 -0.075 0.000 1.021 2203 I CA 0.376 61.558 61.300 -0.198 0.000 1.224 2203 I CB 1.034 38.907 38.000 -0.212 0.000 1.376 2203 I HN 0.683 nan 8.210 nan 0.000 0.470 2204 D N 6.829 127.220 120.400 -0.014 0.000 2.412 2204 D HA 0.278 4.917 4.640 -0.001 0.000 0.224 2204 D C 0.563 176.896 176.300 0.056 0.000 1.093 2204 D CA -0.358 53.657 54.000 0.025 0.000 0.850 2204 D CB 1.272 42.090 40.800 0.029 0.000 1.046 2204 D HN 0.353 nan 8.370 nan 0.000 0.507 2205 V N 1.654 121.619 119.914 0.086 0.000 3.176 2205 V HA 0.712 4.831 4.120 -0.001 0.000 0.332 2205 V C 0.813 176.949 176.094 0.069 0.000 1.414 2205 V CA 0.322 62.693 62.300 0.118 0.000 1.133 2205 V CB -0.348 31.623 31.823 0.246 0.000 1.088 2205 V HN 0.709 nan 8.190 nan 0.000 0.473 2206 G N -0.121 108.709 108.800 0.050 0.000 2.525 2206 G HA2 0.254 4.214 3.960 -0.001 0.000 0.685 2206 G HA3 0.254 4.214 3.960 -0.001 0.000 0.685 2206 G C -0.463 174.437 174.900 -0.000 0.000 1.290 2206 G CA -0.049 45.069 45.100 0.029 0.000 0.915 2206 G HN 1.264 nan 8.290 nan 0.000 0.548 2207 T N -1.128 113.397 114.554 -0.048 0.000 2.993 2207 T HA 0.559 4.908 4.350 -0.001 0.000 0.312 2207 T C -0.439 174.196 174.700 -0.108 0.000 1.115 2207 T CA 0.141 62.185 62.100 -0.094 0.000 1.027 2207 T CB 1.623 70.390 68.868 -0.168 0.000 1.116 2207 T HN 0.409 nan 8.240 nan 0.000 0.464 2208 D N 2.521 122.868 120.400 -0.088 0.000 2.328 2208 D HA 0.098 4.738 4.640 -0.001 0.000 0.226 2208 D C 0.418 176.666 176.300 -0.087 0.000 1.066 2208 D CA 0.139 54.093 54.000 -0.076 0.000 0.861 2208 D CB 0.089 40.854 40.800 -0.057 0.000 0.912 2208 D HN 0.404 nan 8.370 nan 0.000 0.521 2209 N N 1.846 120.471 118.700 -0.124 0.000 2.448 2209 N HA -0.026 4.713 4.740 -0.001 0.000 0.250 2209 N C 1.184 176.613 175.510 -0.135 0.000 1.136 2209 N CA -0.215 52.759 53.050 -0.127 0.000 0.953 2209 N CB 0.312 38.704 38.487 -0.158 0.000 1.251 2209 N HN -0.101 nan 8.380 nan 0.000 0.502 2210 I N 2.394 122.913 120.570 -0.085 0.000 2.248 2210 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 2210 I C 2.088 178.166 176.117 -0.065 0.000 1.107 2210 I CA 0.988 62.247 61.300 -0.068 0.000 1.373 2210 I CB -1.607 36.368 38.000 -0.043 0.000 1.055 2210 I HN 0.512 nan 8.210 nan 0.000 0.418 2211 A N 0.530 123.316 122.820 -0.057 0.000 1.929 2211 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 2211 A C 2.388 179.944 177.584 -0.046 0.000 1.176 2211 A CA 0.942 52.962 52.037 -0.028 0.000 0.628 2211 A CB -0.621 18.379 19.000 0.000 0.000 0.816 2211 A HN 0.401 nan 8.150 nan 0.000 0.444 2212 L N -0.650 120.484 121.223 -0.148 0.000 2.156 2212 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 2212 L C 2.322 179.002 176.870 -0.316 0.000 1.095 2212 L CA 0.633 55.284 54.840 -0.314 0.000 0.770 2212 L CB -0.474 41.195 42.059 -0.650 0.000 0.914 2212 L HN 0.365 nan 8.230 nan 0.000 0.439 2213 L N -0.145 120.949 121.223 -0.215 0.000 2.201 2213 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 2213 L C 1.925 178.819 176.870 0.040 0.000 1.105 2213 L CA 1.238 56.062 54.840 -0.027 0.000 0.775 2213 L CB -0.282 41.748 42.059 -0.048 0.000 0.913 2213 L HN 0.248 nan 8.230 nan 0.000 0.440 2214 K N -0.947 119.446 120.400 -0.012 0.000 2.387 2214 K HA 0.060 4.380 4.320 -0.001 0.000 0.198 2214 K C -0.013 176.595 176.600 0.012 0.000 1.022 2214 K CA -0.144 56.124 56.287 -0.030 0.000 1.128 2214 K CB 0.131 32.614 32.500 -0.028 0.000 0.853 2214 K HN 0.025 nan 8.250 nan 0.000 0.523 2215 D N 2.068 122.531 120.400 0.106 0.000 2.313 2215 D HA 0.074 4.713 4.640 -0.001 0.000 0.239 2215 D C -1.548 174.869 176.300 0.196 0.000 1.142 2215 D CA -2.441 51.669 54.000 0.182 0.000 0.847 2215 D CB 1.608 42.579 40.800 0.286 0.000 1.082 2215 D HN -0.093 nan 8.370 nan 0.000 0.480 2216 P HA -0.080 nan 4.420 nan 0.000 0.222 2216 P C 0.932 178.097 177.300 -0.224 0.000 1.147 2216 P CA 0.708 63.663 63.100 -0.242 0.000 0.790 2216 P CB 0.055 31.423 31.700 -0.554 0.000 0.780 2217 F N -2.519 117.533 119.950 0.170 0.000 2.776 2217 F HA 0.175 4.701 4.527 -0.001 0.000 0.300 2217 F C 1.713 177.679 175.800 0.276 0.000 1.116 2217 F CA -1.013 57.074 58.000 0.146 0.000 1.375 2217 F CB -1.209 37.810 39.000 0.031 0.000 1.109 2217 F HN -0.160 nan 8.300 nan 0.000 0.585 2221 L N 0.604 121.756 121.223 -0.120 0.000 2.499 2221 L HA 0.253 4.593 4.340 -0.001 0.000 0.273 2221 L C -0.011 176.846 176.870 -0.021 0.000 1.195 2221 L CA -0.014 54.793 54.840 -0.054 0.000 0.882 2221 L CB -0.185 41.880 42.059 0.010 0.000 1.133 2221 L HN 0.468 nan 8.230 nan 0.000 0.483 2222 Y N 4.407 124.766 120.300 0.097 0.000 2.532 2222 Y HA 0.250 4.799 4.550 -0.001 0.000 0.337 2222 Y C 0.725 176.627 175.900 0.004 0.000 1.274 2222 Y CA 0.029 58.157 58.100 0.047 0.000 1.817 2222 Y CB -0.215 38.258 38.460 0.023 0.000 1.769 2222 Y HN 0.592 nan 8.280 nan 0.000 0.447 2223 Q N 0.977 120.832 119.800 0.093 0.000 2.578 2223 Q HA 0.341 4.680 4.340 -0.001 0.000 0.284 2223 Q C -1.426 174.580 176.000 0.009 0.000 0.960 2223 Q CA -1.210 54.624 55.803 0.052 0.000 0.809 2223 Q CB 1.504 30.274 28.738 0.054 0.000 1.462 2223 Q HN 0.190 nan 8.270 nan 0.000 0.392 2224 K N 1.423 121.823 120.400 -0.001 0.000 2.187 2224 K HA 0.226 4.545 4.320 -0.001 0.000 0.247 2224 K C -0.107 176.485 176.600 -0.014 0.000 1.019 2224 K CA -0.315 55.960 56.287 -0.020 0.000 0.893 2224 K CB 0.381 32.870 32.500 -0.019 0.000 1.025 2224 K HN 0.543 nan 8.250 nan 0.000 0.500 2225 R N 1.732 122.214 120.500 -0.031 0.000 2.449 2225 R HA -0.064 4.276 4.340 -0.001 0.000 0.296 2225 R C -0.056 176.227 176.300 -0.028 0.000 1.047 2225 R CA 0.134 56.211 56.100 -0.038 0.000 1.018 2225 R CB 0.240 30.494 30.300 -0.076 0.000 0.962 2225 R HN 0.444 nan 8.270 nan 0.000 0.428 2226 D N 3.404 123.807 120.400 0.005 0.000 2.365 2226 D HA 0.035 4.675 4.640 -0.001 0.000 0.237 2226 D C 0.075 176.380 176.300 0.008 0.000 1.190 2226 D CA 0.005 54.028 54.000 0.038 0.000 0.867 2226 D CB 0.716 41.575 40.800 0.099 0.000 1.050 2226 D HN 0.453 nan 8.370 nan 0.000 0.491 2227 R N 1.817 122.308 120.500 -0.015 0.000 2.393 2227 R HA 0.097 4.436 4.340 -0.001 0.000 0.244 2227 R C 0.954 177.300 176.300 0.076 0.000 0.920 2227 R CA -0.135 55.939 56.100 -0.042 0.000 1.076 2227 R CB 0.419 30.677 30.300 -0.070 0.000 1.119 2227 R HN 0.504 nan 8.270 nan 0.000 0.524 2228 T N -2.163 112.458 114.554 0.111 0.000 2.726 2228 T HA -0.057 4.292 4.350 -0.001 0.000 0.294 2228 T C 1.240 176.058 174.700 0.197 0.000 1.013 2228 T CA -0.510 61.666 62.100 0.127 0.000 0.996 2228 T CB 1.124 70.052 68.868 0.101 0.000 1.016 2228 T HN -0.037 nan 8.240 nan 0.000 0.529 2229 Q N 0.020 119.918 119.800 0.162 0.000 2.376 2229 Q HA -0.168 4.171 4.340 -0.001 0.000 0.211 2229 Q C 2.244 178.355 176.000 0.185 0.000 0.986 2229 Q CA 1.707 57.615 55.803 0.175 0.000 0.886 2229 Q CB -0.612 28.200 28.738 0.123 0.000 0.927 2229 Q HN 0.780 nan 8.270 nan 0.000 0.457 2230 Q N -1.342 118.562 119.800 0.173 0.000 2.124 2230 Q HA -0.213 4.126 4.340 -0.001 0.000 0.202 2230 Q C 1.658 177.778 176.000 0.201 0.000 0.977 2230 Q CA 1.578 57.475 55.803 0.158 0.000 0.850 2230 Q CB -0.318 28.503 28.738 0.138 0.000 0.901 2230 Q HN 0.601 nan 8.270 nan 0.000 0.429 2231 Y N 2.305 122.689 120.300 0.139 0.000 2.114 2231 Y HA -0.247 4.302 4.550 -0.001 0.000 0.284 2231 Y C 1.453 177.491 175.900 0.230 0.000 1.143 2231 Y CA 2.131 60.337 58.100 0.177 0.000 1.135 2231 Y CB -0.272 38.309 38.460 0.202 0.000 0.980 2231 Y HN 0.097 nan 8.280 nan 0.000 0.499 2232 D N 0.172 120.720 120.400 0.246 0.000 2.149 2232 D HA -0.182 4.458 4.640 -0.001 0.000 0.198 2232 D C 1.688 178.059 176.300 0.118 0.000 0.990 2232 D CA 1.772 55.908 54.000 0.226 0.000 0.839 2232 D CB -0.376 40.618 40.800 0.324 0.000 0.948 2232 D HN 0.430 nan 8.370 nan 0.000 0.460 2233 D N -0.305 120.161 120.400 0.110 0.000 2.144 2233 D HA -0.087 4.552 4.640 -0.001 0.000 0.200 2233 D C 2.028 178.354 176.300 0.043 0.000 0.978 2233 D CA 0.255 54.306 54.000 0.085 0.000 0.833 2233 D CB -0.308 40.543 40.800 0.084 0.000 0.961 2233 D HN 0.125 nan 8.370 nan 0.000 0.470 2234 L N 0.708 121.938 121.223 0.012 0.000 2.017 2234 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 2234 L C 2.012 178.862 176.870 -0.034 0.000 1.073 2234 L CA 1.211 56.046 54.840 -0.008 0.000 0.745 2234 L CB -0.302 41.748 42.059 -0.014 0.000 0.894 2234 L HN -0.042 nan 8.230 nan 0.000 0.432 2235 I N -0.407 120.078 120.570 -0.143 0.000 2.179 2235 I HA -0.311 3.858 4.170 -0.001 0.000 0.242 2235 I C 2.371 178.459 176.117 -0.047 0.000 1.088 2235 I CA 1.556 62.762 61.300 -0.157 0.000 1.357 2235 I CB -1.445 36.248 38.000 -0.512 0.000 1.051 2235 I HN 0.436 nan 8.210 nan 0.000 0.409 2236 D N 0.579 120.994 120.400 0.025 0.000 2.117 2236 D HA -0.247 4.392 4.640 -0.001 0.000 0.197 2236 D C 2.070 178.365 176.300 -0.009 0.000 0.987 2236 D CA 1.319 55.370 54.000 0.086 0.000 0.829 2236 D CB 0.239 41.151 40.800 0.187 0.000 0.961 2236 D HN 0.477 nan 8.370 nan 0.000 0.460 2237 E N -0.678 119.528 120.200 0.011 0.000 2.150 2237 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 2237 E C 1.052 177.633 176.600 -0.030 0.000 0.985 2237 E CA 0.073 56.472 56.400 -0.002 0.000 0.814 2237 E CB -0.127 29.585 29.700 0.020 0.000 0.752 2237 E HN 0.116 nan 8.360 nan 0.000 0.466 2241 A N 2.552 125.250 122.820 -0.203 0.000 1.877 2241 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 2241 A C 1.955 179.423 177.584 -0.193 0.000 1.186 2241 A CA 1.524 53.469 52.037 -0.153 0.000 0.620 2241 A CB -0.464 18.483 19.000 -0.087 0.000 0.822 2241 A HN 0.272 nan 8.150 nan 0.000 0.443 2242 I N 0.767 121.157 120.570 -0.300 0.000 2.127 2242 I HA -0.220 3.949 4.170 -0.001 0.000 0.241 2242 I C 2.845 178.876 176.117 -0.143 0.000 1.075 2242 I CA 2.387 63.547 61.300 -0.233 0.000 1.334 2242 I CB -1.763 35.955 38.000 -0.470 0.000 1.040 2242 I HN 0.588 nan 8.210 nan 0.000 0.405 2243 T N -2.454 111.977 114.554 -0.204 0.000 2.995 2243 T HA -0.095 4.254 4.350 -0.001 0.000 0.269 2243 T C 1.498 176.162 174.700 -0.060 0.000 1.091 2243 T CA 0.907 62.956 62.100 -0.084 0.000 1.128 2243 T CB -0.213 68.640 68.868 -0.024 0.000 0.891 2243 T HN 0.140 nan 8.240 nan 0.000 0.492 2244 D N 1.233 121.576 120.400 -0.095 0.000 2.178 2244 D HA -0.006 4.633 4.640 -0.001 0.000 0.202 2244 D C 2.218 178.439 176.300 -0.132 0.000 0.974 2244 D CA 0.806 54.754 54.000 -0.087 0.000 0.841 2244 D CB -0.187 40.563 40.800 -0.083 0.000 0.953 2244 D HN 0.492 nan 8.370 nan 0.000 0.478 2245 R N -1.030 119.336 120.500 -0.222 0.000 2.128 2245 R HA -0.006 4.333 4.340 -0.001 0.000 0.211 2245 R C 1.443 177.487 176.300 -0.426 0.000 1.067 2245 R CA 0.628 56.495 56.100 -0.389 0.000 1.010 2245 R CB 0.094 30.010 30.300 -0.641 0.000 0.922 2245 R HN 0.220 nan 8.270 nan 0.000 0.457 2246 Y N -0.838 119.428 120.300 -0.058 0.000 2.462 2246 Y HA 0.385 4.934 4.550 -0.001 0.000 0.253 2246 Y C 0.627 176.496 175.900 -0.051 0.000 1.095 2246 Y CA 0.068 58.135 58.100 -0.055 0.000 1.283 2246 Y CB 1.627 40.064 38.460 -0.038 0.000 1.138 2246 Y HN 0.288 nan 8.280 nan 0.000 0.522 2247 G N 0.252 109.096 108.800 0.073 0.000 2.402 2247 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.666 2247 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.666 2247 G C -0.462 174.462 174.900 0.039 0.000 1.402 2247 G CA -0.828 44.299 45.100 0.045 0.000 0.920 2247 G HN -0.003 nan 8.290 nan 0.000 0.651 2248 R N 0.588 121.103 120.500 0.025 0.000 2.189 2248 R HA -0.013 4.326 4.340 -0.001 0.000 0.223 2248 R C 1.931 178.248 176.300 0.027 0.000 1.092 2248 R CA 2.032 58.156 56.100 0.040 0.000 0.989 2248 R CB -0.055 30.243 30.300 -0.003 0.000 0.876 2248 R HN 0.623 nan 8.270 nan 0.000 0.457 2249 N N -1.428 117.275 118.700 0.004 0.000 2.320 2249 N HA 0.020 4.759 4.740 -0.001 0.000 0.237 2249 N C -0.914 174.616 175.510 0.033 0.000 1.129 2249 N CA -0.186 52.860 53.050 -0.007 0.000 0.854 2249 N CB 0.051 38.521 38.487 -0.029 0.000 1.083 2249 N HN -0.179 nan 8.380 nan 0.000 0.504 2250 T N 1.565 116.141 114.554 0.037 0.000 2.853 2250 T HA 0.048 4.397 4.350 -0.001 0.000 0.298 2250 T C 0.337 175.051 174.700 0.024 0.000 0.978 2250 T CA -0.409 61.708 62.100 0.028 0.000 1.152 2250 T CB 0.664 69.536 68.868 0.006 0.000 0.914 2250 T HN 0.260 nan 8.240 nan 0.000 0.539 2251 L N 5.163 126.420 121.223 0.056 0.000 2.462 2251 L HA 0.354 4.693 4.340 -0.001 0.000 0.272 2251 L C -0.570 176.333 176.870 0.054 0.000 1.166 2251 L CA 0.103 55.010 54.840 0.111 0.000 0.880 2251 L CB 0.154 42.326 42.059 0.189 0.000 1.142 2251 L HN 0.656 nan 8.230 nan 0.000 0.473 2252 I N 5.432 126.038 120.570 0.060 0.000 2.439 2252 I HA 0.237 4.406 4.170 -0.001 0.000 0.283 2252 I C -0.306 175.783 176.117 -0.047 0.000 1.023 2252 I CA -0.320 60.944 61.300 -0.060 0.000 1.100 2252 I CB 1.788 39.693 38.000 -0.158 0.000 1.238 2252 I HN 0.580 nan 8.210 nan 0.000 0.445 2253 Q N 6.288 125.989 119.800 -0.164 0.000 2.314 2253 Q HA 0.452 4.791 4.340 -0.001 0.000 0.259 2253 Q C -1.498 174.299 176.000 -0.339 0.000 0.951 2253 Q CA -0.603 54.981 55.803 -0.366 0.000 0.909 2253 Q CB 1.200 29.740 28.738 -0.329 0.000 1.236 2253 Q HN 0.448 nan 8.270 nan 0.000 0.444 2254 F N 2.653 122.380 119.950 -0.373 0.000 2.410 2254 F HA 0.288 4.814 4.527 -0.001 0.000 0.348 2254 F C 0.293 176.005 175.800 -0.147 0.000 1.106 2254 F CA -0.068 57.794 58.000 -0.230 0.000 1.163 2254 F CB 1.362 40.158 39.000 -0.341 0.000 1.129 2254 F HN 0.590 nan 8.300 nan 0.000 0.516 2255 E N 1.778 122.087 120.200 0.181 0.000 2.275 2255 E HA 0.301 4.650 4.350 -0.001 0.000 0.270 2255 E C -1.283 175.418 176.600 0.167 0.000 0.882 2255 E CA -0.561 55.892 56.400 0.089 0.000 0.758 2255 E CB 0.975 30.632 29.700 -0.071 0.000 1.195 2255 E HN 0.479 nan 8.360 nan 0.000 0.419 2256 D N 2.375 122.837 120.400 0.104 0.000 2.689 2256 D HA -0.227 4.412 4.640 -0.001 0.000 0.237 2256 D C -0.920 175.415 176.300 0.058 0.000 1.148 2256 D CA 0.974 55.003 54.000 0.049 0.000 0.656 2256 D CB -1.195 39.583 40.800 -0.038 0.000 1.050 2256 D HN 0.232 nan 8.370 nan 0.000 0.426 2257 F N 0.353 120.327 119.950 0.041 0.000 2.380 2257 F HA 0.564 5.090 4.527 -0.001 0.000 0.321 2257 F C 1.895 177.727 175.800 0.054 0.000 1.103 2257 F CA 0.089 58.152 58.000 0.105 0.000 1.067 2257 F CB 0.805 39.936 39.000 0.218 0.000 1.265 2257 F HN -0.025 nan 8.300 nan 0.000 0.517 2258 G N 1.154 110.092 108.800 0.231 0.000 2.636 2258 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.246 2258 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.246 2258 G C 0.865 175.852 174.900 0.145 0.000 1.216 2258 G CA -0.354 44.831 45.100 0.140 0.000 0.854 2258 G HN 0.733 nan 8.290 nan 0.000 0.572 2259 N N -0.005 118.765 118.700 0.117 0.000 2.011 2259 N HA -0.285 4.454 4.740 -0.001 0.000 0.199 2259 N C 1.867 177.502 175.510 0.208 0.000 1.047 2259 N CA 2.243 55.380 53.050 0.144 0.000 0.863 2259 N CB -0.483 38.102 38.487 0.164 0.000 1.056 2259 N HN 0.745 nan 8.380 nan 0.000 0.427 2260 H N 0.641 119.772 119.070 0.101 0.000 2.265 2260 H HA -0.074 4.481 4.556 -0.001 0.000 0.293 2260 H C 1.841 177.165 175.328 -0.005 0.000 1.089 2260 H CA 2.801 58.888 56.048 0.066 0.000 1.244 2260 H CB -0.665 29.110 29.762 0.023 0.000 1.355 2260 H HN 0.459 nan 8.280 nan 0.000 0.485 2261 N N -0.256 118.405 118.700 -0.064 0.000 2.166 2261 N HA -0.139 4.600 4.740 -0.001 0.000 0.186 2261 N C 2.071 177.408 175.510 -0.288 0.000 1.019 2261 N CA 0.802 53.687 53.050 -0.275 0.000 0.856 2261 N CB -0.190 38.480 38.487 0.305 0.000 0.993 2261 N HN 0.497 nan 8.380 nan 0.000 0.426 2262 A N 0.809 123.581 122.820 -0.079 0.000 1.883 2262 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 2262 A C 1.851 179.194 177.584 -0.403 0.000 1.186 2262 A CA 1.332 53.232 52.037 -0.228 0.000 0.624 2262 A CB -0.925 17.930 19.000 -0.243 0.000 0.822 2262 A HN 0.265 nan 8.150 nan 0.000 0.444 2263 F N -1.073 118.690 119.950 -0.311 0.000 2.163 2263 F HA -0.022 4.505 4.527 -0.001 0.000 0.297 2263 F C 2.542 178.160 175.800 -0.304 0.000 1.094 2263 F CA 1.446 59.228 58.000 -0.362 0.000 1.290 2263 F CB -0.151 38.515 39.000 -0.555 0.000 1.017 2263 F HN 0.091 nan 8.300 nan 0.000 0.483 2264 R N 0.023 120.374 120.500 -0.249 0.000 2.080 2264 R HA -0.173 4.166 4.340 -0.001 0.000 0.236 2264 R C 2.139 178.229 176.300 -0.351 0.000 1.137 2264 R CA 2.028 57.896 56.100 -0.387 0.000 0.943 2264 R CB -0.594 29.261 30.300 -0.742 0.000 0.846 2264 R HN 0.238 nan 8.270 nan 0.000 0.431 2265 F N -0.268 119.520 119.950 -0.269 0.000 2.293 2265 F HA -0.155 4.372 4.527 -0.001 0.000 0.300 2265 F C 2.076 177.672 175.800 -0.340 0.000 1.086 2265 F CA -0.083 57.710 58.000 -0.345 0.000 1.375 2265 F CB -0.135 38.569 39.000 -0.494 0.000 1.045 2265 F HN 0.134 nan 8.300 nan 0.000 0.516 2266 L N 1.024 122.132 121.223 -0.191 0.000 2.005 2266 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 2266 L C 2.499 179.372 176.870 0.006 0.000 1.072 2266 L CA 1.742 56.516 54.840 -0.110 0.000 0.744 2266 L CB -0.769 41.213 42.059 -0.128 0.000 0.895 2266 L HN -0.007 nan 8.230 nan 0.000 0.433 2267 R N -0.448 120.056 120.500 0.007 0.000 2.096 2267 R HA -0.197 4.142 4.340 -0.001 0.000 0.235 2267 R C 2.455 178.734 176.300 -0.035 0.000 1.127 2267 R CA 1.747 57.865 56.100 0.031 0.000 0.968 2267 R CB -0.271 30.068 30.300 0.066 0.000 0.861 2267 R HN 0.384 nan 8.270 nan 0.000 0.440 2268 K N -0.719 119.599 120.400 -0.136 0.000 2.062 2268 K HA -0.145 4.175 4.320 -0.001 0.000 0.205 2268 K C 1.213 177.645 176.600 -0.280 0.000 1.051 2268 K CA 1.447 57.563 56.287 -0.285 0.000 0.941 2268 K CB 0.029 32.222 32.500 -0.511 0.000 0.719 2268 K HN 0.329 nan 8.250 nan 0.000 0.440 2269 Y N 0.384 120.769 120.300 0.142 0.000 2.481 2269 Y HA 0.078 4.627 4.550 -0.001 0.000 0.258 2269 Y C 2.101 178.140 175.900 0.232 0.000 1.103 2269 Y CA -0.049 58.192 58.100 0.236 0.000 1.287 2269 Y CB 0.207 38.868 38.460 0.335 0.000 1.108 2269 Y HN 0.065 nan 8.280 nan 0.000 0.529 2270 R N 0.806 121.481 120.500 0.292 0.000 2.139 2270 R HA -0.163 4.177 4.340 -0.001 0.000 0.243 2270 R C 0.863 177.316 176.300 0.255 0.000 1.145 2270 R CA 1.899 58.170 56.100 0.285 0.000 0.976 2270 R CB -0.388 30.040 30.300 0.214 0.000 0.866 2270 R HN 0.261 nan 8.270 nan 0.000 0.449 2271 E N 0.609 120.862 120.200 0.089 0.000 2.452 2271 E HA -0.013 4.336 4.350 -0.001 0.000 0.197 2271 E C 1.254 177.733 176.600 -0.201 0.000 1.022 2271 E CA 0.435 56.713 56.400 -0.202 0.000 0.890 2271 E CB 0.411 30.012 29.700 -0.166 0.000 0.918 2271 E HN 0.491 nan 8.360 nan 0.000 0.496 2272 K N -0.428 120.024 120.400 0.086 0.000 2.244 2272 K HA 0.063 4.382 4.320 -0.001 0.000 0.200 2272 K C 0.073 176.598 176.600 -0.126 0.000 1.052 2272 K CA 0.439 56.700 56.287 -0.044 0.000 0.980 2272 K CB 0.524 32.913 32.500 -0.185 0.000 0.838 2272 K HN -0.084 nan 8.250 nan 0.000 0.481 2273 Y N -1.280 119.209 120.300 0.315 0.000 2.693 2273 Y HA 0.317 4.867 4.550 -0.001 0.000 0.331 2273 Y C -0.617 175.339 175.900 0.093 0.000 1.092 2273 Y CA -1.408 56.766 58.100 0.124 0.000 1.131 2273 Y CB 1.304 39.801 38.460 0.061 0.000 1.318 2273 Y HN -0.147 nan 8.280 nan 0.000 0.510 2274 C N 1.973 121.384 119.300 0.185 0.000 2.116 2274 C HA 0.663 5.122 4.460 -0.001 0.000 0.367 2274 C C -0.131 175.003 174.990 0.240 0.000 1.039 2274 C CA 0.177 59.272 59.018 0.129 0.000 1.465 2274 C CB -2.047 25.720 27.740 0.046 0.000 1.783 2274 C HN 0.693 nan 8.230 nan 0.000 0.470 2275 T N 4.369 119.126 114.554 0.338 0.000 2.883 2275 T HA 0.814 5.163 4.350 -0.001 0.000 0.301 2275 T C -1.148 173.854 174.700 0.503 0.000 1.158 2275 T CA -0.325 62.005 62.100 0.383 0.000 1.007 2275 T CB 1.342 70.430 68.868 0.367 0.000 1.186 2275 T HN 0.894 nan 8.240 nan 0.000 0.499 2276 F N 1.415 121.543 119.950 0.297 0.000 2.713 2276 F HA 0.643 5.169 4.527 -0.001 0.000 0.311 2276 F C -1.488 174.441 175.800 0.213 0.000 1.141 2276 F CA -1.119 57.041 58.000 0.266 0.000 0.939 2276 F CB 1.400 40.652 39.000 0.420 0.000 1.325 2276 F HN 0.468 nan 8.300 nan 0.000 0.453 2277 N N 2.169 120.867 118.700 -0.002 0.000 2.446 2277 N HA 0.138 4.877 4.740 -0.001 0.000 0.265 2277 N C -0.213 175.243 175.510 -0.090 0.000 0.975 2277 N CA -0.156 52.791 53.050 -0.173 0.000 0.928 2277 N CB 1.638 40.017 38.487 -0.181 0.000 1.160 2277 N HN 0.951 nan 8.380 nan 0.000 0.495 2278 D N 2.627 122.905 120.400 -0.202 0.000 2.092 2278 D HA -0.164 4.476 4.640 -0.001 0.000 0.193 2278 D C 0.749 177.096 176.300 0.079 0.000 0.994 2278 D CA 1.487 55.544 54.000 0.094 0.000 0.828 2278 D CB 0.225 41.002 40.800 -0.038 0.000 0.963 2278 D HN 0.589 nan 8.370 nan 0.000 0.450 2279 D N -0.404 119.992 120.400 -0.007 0.000 2.221 2279 D HA -0.136 4.503 4.640 -0.001 0.000 0.204 2279 D C 2.136 178.396 176.300 -0.066 0.000 0.982 2279 D CA 0.711 54.698 54.000 -0.022 0.000 0.857 2279 D CB 0.249 41.021 40.800 -0.046 0.000 0.934 2279 D HN 0.415 nan 8.370 nan 0.000 0.475 2280 I N 0.108 120.600 120.570 -0.131 0.000 2.685 2280 I HA -0.133 4.036 4.170 -0.001 0.000 0.251 2280 I C 2.207 178.236 176.117 -0.147 0.000 1.102 2280 I CA 0.479 61.668 61.300 -0.185 0.000 1.442 2280 I CB -0.011 37.784 38.000 -0.342 0.000 1.194 2280 I HN -0.195 nan 8.210 nan 0.000 0.448 2281 Q N 0.624 120.298 119.800 -0.209 0.000 2.297 2281 Q HA 0.088 4.427 4.340 -0.001 0.000 0.203 2281 Q C 2.212 177.960 176.000 -0.421 0.000 0.931 2281 Q CA 1.001 56.487 55.803 -0.528 0.000 0.885 2281 Q CB -0.025 28.044 28.738 -1.114 0.000 0.991 2281 Q HN 0.532 nan 8.270 nan 0.000 0.498 2282 G N 0.591 109.387 108.800 -0.007 0.000 2.394 2282 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.214 2282 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.214 2282 G C 1.400 176.417 174.900 0.196 0.000 1.176 2282 G CA 1.239 46.488 45.100 0.249 0.000 0.786 2282 G HN 0.243 nan 8.290 nan 0.000 0.533 2283 T N 1.860 116.501 114.554 0.144 0.000 2.833 2283 T HA 0.028 4.378 4.350 -0.001 0.000 0.269 2283 T C 2.740 177.521 174.700 0.135 0.000 1.054 2283 T CA 1.332 63.515 62.100 0.140 0.000 1.135 2283 T CB -0.287 68.642 68.868 0.102 0.000 0.869 2283 T HN 0.366 nan 8.240 nan 0.000 0.466 2284 A N 1.765 124.633 122.820 0.080 0.000 1.865 2284 A HA 0.115 4.435 4.320 -0.001 0.000 0.217 2284 A C 2.710 180.377 177.584 0.139 0.000 1.191 2284 A CA 1.892 53.981 52.037 0.087 0.000 0.623 2284 A CB -1.252 17.755 19.000 0.011 0.000 0.826 2284 A HN 0.527 nan 8.150 nan 0.000 0.444 2285 A N -0.306 122.610 122.820 0.160 0.000 1.902 2285 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 2285 A C 2.258 179.965 177.584 0.205 0.000 1.181 2285 A CA 2.124 54.280 52.037 0.199 0.000 0.623 2285 A CB -1.135 18.025 19.000 0.266 0.000 0.818 2285 A HN 0.809 nan 8.150 nan 0.000 0.443 2286 V N -1.241 118.805 119.914 0.219 0.000 2.307 2286 V HA -0.131 3.988 4.120 -0.001 0.000 0.245 2286 V C 2.813 179.121 176.094 0.357 0.000 1.045 2286 V CA 1.691 64.142 62.300 0.252 0.000 1.024 2286 V CB -1.810 30.106 31.823 0.156 0.000 0.651 2286 V HN 0.515 nan 8.190 nan 0.000 0.449 2287 A N 0.778 123.785 122.820 0.311 0.000 1.883 2287 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 2287 A C 2.215 179.987 177.584 0.314 0.000 1.186 2287 A CA 2.268 54.537 52.037 0.386 0.000 0.624 2287 A CB -0.735 18.461 19.000 0.327 0.000 0.822 2287 A HN 0.492 nan 8.150 nan 0.000 0.444 2288 L N -0.131 121.219 121.223 0.211 0.000 2.012 2288 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 2288 L C 2.698 179.635 176.870 0.111 0.000 1.073 2288 L CA 2.347 57.266 54.840 0.132 0.000 0.748 2288 L CB -0.921 41.205 42.059 0.111 0.000 0.891 2288 L HN 0.362 nan 8.230 nan 0.000 0.431 2289 A N -0.704 122.201 122.820 0.142 0.000 1.940 2289 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 2289 A C 2.304 179.853 177.584 -0.058 0.000 1.176 2289 A CA 1.682 53.763 52.037 0.073 0.000 0.631 2289 A CB -1.510 17.574 19.000 0.140 0.000 0.814 2289 A HN 0.559 nan 8.150 nan 0.000 0.446 2290 G N -1.000 107.802 108.800 0.002 0.000 2.430 2290 G HA2 0.046 4.005 3.960 -0.001 0.000 0.216 2290 G HA3 0.046 4.005 3.960 -0.001 0.000 0.216 2290 G C 1.297 176.264 174.900 0.112 0.000 1.146 2290 G CA 0.803 45.815 45.100 -0.147 0.000 0.793 2290 G HN 0.336 nan 8.290 nan 0.000 0.537 2291 L N 0.209 121.491 121.223 0.097 0.000 2.109 2291 L HA 0.140 4.479 4.340 -0.001 0.000 0.207 2291 L C 2.657 179.505 176.870 -0.036 0.000 1.086 2291 L CA 0.743 55.555 54.840 -0.046 0.000 0.760 2291 L CB -0.722 41.282 42.059 -0.091 0.000 0.910 2291 L HN 0.069 nan 8.230 nan 0.000 0.437 2292 L N -0.624 120.585 121.223 -0.023 0.000 2.005 2292 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 2292 L C 2.687 179.541 176.870 -0.027 0.000 1.072 2292 L CA 2.002 56.827 54.840 -0.024 0.000 0.744 2292 L CB -1.769 40.279 42.059 -0.018 0.000 0.895 2292 L HN 0.242 nan 8.230 nan 0.000 0.433 2293 A N -0.519 122.267 122.820 -0.057 0.000 1.908 2293 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 2293 A C 2.495 180.070 177.584 -0.016 0.000 1.181 2293 A CA 2.125 54.127 52.037 -0.059 0.000 0.627 2293 A CB -0.922 17.995 19.000 -0.138 0.000 0.818 2293 A HN 0.422 nan 8.150 nan 0.000 0.445 2294 A N -0.952 121.869 122.820 0.003 0.000 1.908 2294 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 2294 A C 2.146 179.750 177.584 0.033 0.000 1.181 2294 A CA 2.260 54.319 52.037 0.036 0.000 0.627 2294 A CB -0.571 18.454 19.000 0.041 0.000 0.818 2294 A HN 0.572 nan 8.150 nan 0.000 0.445 2295 Q N 0.054 119.871 119.800 0.028 0.000 2.226 2295 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 2295 Q C 1.854 177.878 176.000 0.040 0.000 0.975 2295 Q CA 2.025 57.860 55.803 0.053 0.000 0.866 2295 Q CB -0.359 28.416 28.738 0.061 0.000 0.915 2295 Q HN 0.668 nan 8.270 nan 0.000 0.440 2296 K N -0.820 119.595 120.400 0.025 0.000 2.211 2296 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 2296 K C 1.829 178.444 176.600 0.026 0.000 1.047 2296 K CA 1.398 57.698 56.287 0.021 0.000 0.935 2296 K CB -0.068 32.438 32.500 0.011 0.000 0.728 2296 K HN 0.332 nan 8.250 nan 0.000 0.452 2297 V N -1.458 118.475 119.914 0.033 0.000 2.949 2297 V HA 0.033 4.152 4.120 -0.001 0.000 0.245 2297 V C 1.526 177.640 176.094 0.033 0.000 1.086 2297 V CA 0.686 63.008 62.300 0.037 0.000 1.097 2297 V CB -0.039 31.814 31.823 0.051 0.000 0.762 2297 V HN 0.147 nan 8.190 nan 0.000 0.470 2298 I N 0.578 121.168 120.570 0.033 0.000 2.494 2298 I HA 0.103 4.273 4.170 -0.001 0.000 0.250 2298 I C 1.503 177.629 176.117 0.015 0.000 1.112 2298 I CA 0.871 62.185 61.300 0.023 0.000 1.438 2298 I CB -0.225 37.788 38.000 0.022 0.000 1.111 2298 I HN 0.348 nan 8.210 nan 0.000 0.431 2299 S N 1.614 117.332 115.700 0.029 0.000 3.614 2299 S HA -0.190 4.279 4.470 -0.001 0.000 0.360 2299 S C 0.321 174.920 174.600 -0.001 0.000 1.023 2299 S CA 0.635 58.850 58.200 0.026 0.000 1.114 2299 S CB -1.554 61.657 63.200 0.017 0.000 0.907 2299 S HN 0.406 nan 8.310 nan 0.000 0.470 2300 K N 1.281 121.666 120.400 -0.026 0.000 2.298 2300 K HA 0.266 4.586 4.320 -0.001 0.000 0.280 2300 K C -2.494 173.986 176.600 -0.200 0.000 1.032 2300 K CA -2.038 54.163 56.287 -0.143 0.000 0.958 2300 K CB 0.432 32.783 32.500 -0.249 0.000 0.978 2300 K HN 0.004 nan 8.250 nan 0.000 0.472 2301 P HA -0.047 nan 4.420 nan 0.000 0.263 2301 P C 0.656 177.860 177.300 -0.160 0.000 1.195 2301 P CA 0.253 63.290 63.100 -0.105 0.000 0.762 2301 P CB 0.431 32.088 31.700 -0.071 0.000 0.799 2302 I N 3.000 123.590 120.570 0.032 0.000 2.300 2302 I HA -0.328 3.842 4.170 -0.001 0.000 0.252 2302 I C 1.763 177.968 176.117 0.147 0.000 1.119 2302 I CA 2.118 63.557 61.300 0.233 0.000 1.384 2302 I CB -0.037 38.080 38.000 0.194 0.000 1.062 2302 I HN 0.371 nan 8.210 nan 0.000 0.426 2303 S N -0.347 115.381 115.700 0.045 0.000 2.547 2303 S HA -0.106 4.363 4.470 -0.001 0.000 0.235 2303 S C 1.416 176.021 174.600 0.008 0.000 0.980 2303 S CA 0.847 59.068 58.200 0.035 0.000 0.941 2303 S CB -0.336 62.873 63.200 0.017 0.000 0.763 2303 S HN 0.623 nan 8.310 nan 0.000 0.532 2304 E N -0.059 120.103 120.200 -0.063 0.000 2.389 2304 E HA 0.103 4.452 4.350 -0.001 0.000 0.199 2304 E C -0.278 176.269 176.600 -0.088 0.000 0.978 2304 E CA -0.169 56.172 56.400 -0.098 0.000 0.912 2304 E CB -0.152 29.453 29.700 -0.159 0.000 0.907 2304 E HN 0.684 nan 8.360 nan 0.000 0.494 2305 H N 1.923 121.000 119.070 0.013 0.000 3.064 2305 H HA 0.068 4.623 4.556 -0.001 0.000 0.329 2305 H C 0.013 175.362 175.328 0.035 0.000 1.020 2305 H CA 0.715 56.769 56.048 0.011 0.000 1.402 2305 H CB 0.383 30.153 29.762 0.014 0.000 1.379 2305 H HN -0.104 nan 8.280 nan 0.000 0.594 2306 K N 3.229 123.721 120.400 0.153 0.000 2.731 2306 K HA 0.308 4.628 4.320 -0.001 0.000 0.257 2306 K C -1.981 174.677 176.600 0.097 0.000 1.032 2306 K CA -0.327 56.045 56.287 0.142 0.000 0.983 2306 K CB 0.383 32.938 32.500 0.091 0.000 1.248 2306 K HN 0.395 nan 8.250 nan 0.000 0.484 2307 I N 4.073 124.717 120.570 0.123 0.000 2.385 2307 I HA 0.420 4.590 4.170 -0.001 0.000 0.294 2307 I C -0.891 175.285 176.117 0.098 0.000 0.988 2307 I CA -0.866 60.436 61.300 0.004 0.000 1.265 2307 I CB 1.502 39.438 38.000 -0.107 0.000 1.388 2307 I HN 0.538 nan 8.210 nan 0.000 0.480 2308 L N 7.131 128.352 121.223 -0.004 0.000 2.376 2308 L HA 0.610 4.949 4.340 -0.001 0.000 0.275 2308 L C -1.416 175.555 176.870 0.168 0.000 0.987 2308 L CA -0.032 54.915 54.840 0.178 0.000 0.828 2308 L CB 0.760 42.878 42.059 0.098 0.000 1.249 2308 L HN 0.290 nan 8.230 nan 0.000 0.409 2309 F N 4.697 124.841 119.950 0.322 0.000 2.397 2309 F HA 0.544 5.070 4.527 -0.001 0.000 0.331 2309 F C -0.133 175.895 175.800 0.380 0.000 1.090 2309 F CA -0.441 57.731 58.000 0.286 0.000 1.065 2309 F CB 1.661 40.761 39.000 0.166 0.000 1.184 2309 F HN 0.398 nan 8.300 nan 0.000 0.499 2310 L N 2.875 124.343 121.223 0.408 0.000 2.276 2310 L HA 0.812 5.151 4.340 -0.001 0.000 0.286 2310 L C -0.185 176.794 176.870 0.181 0.000 1.024 2310 L CA 0.131 55.059 54.840 0.148 0.000 0.826 2310 L CB 0.555 42.414 42.059 -0.334 0.000 1.211 2310 L HN 0.758 nan 8.230 nan 0.000 0.422 2311 G N 3.716 112.647 108.800 0.218 0.000 2.650 2311 G HA2 0.404 4.363 3.960 -0.001 0.000 0.686 2311 G HA3 0.404 4.363 3.960 -0.001 0.000 0.686 2311 G C -0.578 174.393 174.900 0.119 0.000 1.205 2311 G CA -0.355 44.818 45.100 0.122 0.000 0.781 2311 G HN 1.538 nan 8.290 nan 0.000 0.648 2312 A N 0.682 123.536 122.820 0.056 0.000 3.292 2312 A HA 0.845 5.164 4.320 -0.001 0.000 0.231 2312 A C 0.883 178.477 177.584 0.015 0.000 0.952 2312 A CA 0.919 52.962 52.037 0.010 0.000 1.044 2312 A CB 0.021 19.049 19.000 0.046 0.000 1.236 2312 A HN 2.290 nan 8.150 nan 0.000 0.525 2313 G N -0.625 108.189 108.800 0.025 0.000 3.099 2313 G HA2 0.448 4.407 3.960 -0.001 0.000 0.151 2313 G HA3 0.448 4.407 3.960 -0.001 0.000 0.151 2313 G C 0.567 175.548 174.900 0.135 0.000 1.265 2313 G CA 0.168 45.322 45.100 0.091 0.000 0.981 2313 G HN 0.281 nan 8.290 nan 0.000 0.601 2314 E N -0.144 120.112 120.200 0.093 0.000 2.035 2314 E HA -0.240 4.109 4.350 -0.001 0.000 0.204 2314 E C 2.788 179.351 176.600 -0.062 0.000 1.025 2314 E CA 1.594 57.939 56.400 -0.092 0.000 0.835 2314 E CB -0.271 29.306 29.700 -0.205 0.000 0.764 2314 E HN 0.371 nan 8.360 nan 0.000 0.457 2315 A N 1.348 124.147 122.820 -0.035 0.000 1.858 2315 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 2315 A C 2.427 179.988 177.584 -0.039 0.000 1.190 2315 A CA 1.855 53.886 52.037 -0.011 0.000 0.617 2315 A CB -0.894 18.124 19.000 0.031 0.000 0.827 2315 A HN 0.311 nan 8.150 nan 0.000 0.443 2316 A N -0.256 122.506 122.820 -0.098 0.000 1.873 2316 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 2316 A C 2.179 179.407 177.584 -0.594 0.000 1.193 2316 A CA 1.770 53.556 52.037 -0.419 0.000 0.629 2316 A CB -0.756 18.021 19.000 -0.373 0.000 0.826 2316 A HN 0.482 nan 8.150 nan 0.000 0.447 2317 L N -0.844 120.220 121.223 -0.265 0.000 2.201 2317 L HA -0.060 4.279 4.340 -0.001 0.000 0.212 2317 L C 2.731 179.578 176.870 -0.038 0.000 1.105 2317 L CA 0.807 55.556 54.840 -0.151 0.000 0.775 2317 L CB -0.514 41.597 42.059 0.086 0.000 0.913 2317 L HN 0.508 nan 8.230 nan 0.000 0.440 2318 G N 0.086 108.880 108.800 -0.010 0.000 2.394 2318 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.215 2318 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.215 2318 G C 1.573 176.479 174.900 0.009 0.000 1.165 2318 G CA 0.415 45.522 45.100 0.012 0.000 0.784 2318 G HN 0.236 nan 8.290 nan 0.000 0.535 2319 I N 1.527 122.096 120.570 -0.003 0.000 2.202 2319 I HA -0.114 4.055 4.170 -0.001 0.000 0.242 2319 I C 3.275 179.446 176.117 0.091 0.000 1.091 2319 I CA 1.036 62.398 61.300 0.104 0.000 1.368 2319 I CB -0.203 37.962 38.000 0.274 0.000 1.058 2319 I HN 0.208 nan 8.210 nan 0.000 0.410 2320 A N 0.543 123.293 122.820 -0.116 0.000 1.986 2320 A HA -0.253 4.066 4.320 -0.001 0.000 0.220 2320 A C 2.126 179.710 177.584 0.000 0.000 1.171 2320 A CA 2.024 53.935 52.037 -0.209 0.000 0.640 2320 A CB -0.821 17.588 19.000 -0.985 0.000 0.811 2320 A HN 0.495 nan 8.150 nan 0.000 0.451 2321 N N -0.812 117.936 118.700 0.080 0.000 2.216 2321 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 2321 N C 1.544 177.151 175.510 0.162 0.000 1.017 2321 N CA 1.157 54.333 53.050 0.210 0.000 0.861 2321 N CB -0.145 38.464 38.487 0.203 0.000 0.986 2321 N HN 0.351 nan 8.380 nan 0.000 0.428 2322 L N 1.634 122.933 121.223 0.125 0.000 2.156 2322 L HA 0.065 4.405 4.340 -0.001 0.000 0.208 2322 L C 2.067 179.003 176.870 0.109 0.000 1.095 2322 L CA 0.833 55.744 54.840 0.118 0.000 0.770 2322 L CB -0.368 41.759 42.059 0.114 0.000 0.914 2322 L HN 0.116 nan 8.230 nan 0.000 0.439 2323 I N -1.712 118.926 120.570 0.114 0.000 2.179 2323 I HA -0.221 3.948 4.170 -0.001 0.000 0.242 2323 I C 1.253 177.427 176.117 0.095 0.000 1.088 2323 I CA 0.304 61.659 61.300 0.090 0.000 1.357 2323 I CB -0.255 37.808 38.000 0.105 0.000 1.051 2323 I HN -0.099 nan 8.210 nan 0.000 0.409 2329 E N 0.687 120.914 120.200 0.044 0.000 2.338 2329 E HA -0.144 4.206 4.350 -0.001 0.000 0.197 2329 E C 1.105 177.727 176.600 0.037 0.000 1.007 2329 E CA 1.251 57.676 56.400 0.042 0.000 0.849 2329 E CB 0.016 29.742 29.700 0.045 0.000 0.774 2329 E HN 0.617 nan 8.360 nan 0.000 0.506 2330 N N -0.291 118.431 118.700 0.036 0.000 2.279 2330 N HA 0.089 4.829 4.740 -0.001 0.000 0.226 2330 N C 0.308 175.842 175.510 0.040 0.000 1.126 2330 N CA 0.652 53.723 53.050 0.036 0.000 0.846 2330 N CB 1.266 39.773 38.487 0.033 0.000 1.050 2330 N HN 0.379 nan 8.380 nan 0.000 0.502 2331 G N 0.470 109.293 108.800 0.037 0.000 2.130 2331 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.222 2331 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.222 2331 G C -0.523 174.399 174.900 0.036 0.000 1.694 2331 G CA -0.626 44.495 45.100 0.036 0.000 1.432 2331 G HN 0.173 nan 8.290 nan 0.000 0.476 2332 L N 2.000 123.248 121.223 0.041 0.000 3.088 2332 L HA 0.225 4.564 4.340 -0.001 0.000 0.376 2332 L C 1.703 178.594 176.870 0.034 0.000 1.239 2332 L CA 1.185 56.049 54.840 0.040 0.000 0.807 2332 L CB -0.159 41.930 42.059 0.050 0.000 1.047 2332 L HN 1.259 nan 8.230 nan 0.000 0.635 2333 S N 1.601 117.317 115.700 0.027 0.000 2.617 2333 S HA 0.210 4.679 4.470 -0.001 0.000 0.269 2333 S C 1.046 175.660 174.600 0.024 0.000 1.292 2333 S CA 0.025 58.238 58.200 0.021 0.000 1.010 2333 S CB 0.958 64.165 63.200 0.011 0.000 0.944 2333 S HN 0.714 nan 8.310 nan 0.000 0.536 2334 E N 0.646 120.858 120.200 0.020 0.000 2.070 2334 E HA -0.290 4.059 4.350 -0.001 0.000 0.197 2334 E C 2.011 178.614 176.600 0.005 0.000 1.004 2334 E CA 1.667 58.079 56.400 0.020 0.000 0.805 2334 E CB -0.262 29.443 29.700 0.009 0.000 0.744 2334 E HN 0.846 nan 8.360 nan 0.000 0.451 2335 Q N 0.241 120.034 119.800 -0.013 0.000 2.124 2335 Q HA -0.229 4.110 4.340 -0.001 0.000 0.202 2335 Q C 1.817 177.803 176.000 -0.022 0.000 0.977 2335 Q CA 1.626 57.411 55.803 -0.031 0.000 0.850 2335 Q CB 0.018 28.735 28.738 -0.035 0.000 0.901 2335 Q HN 0.398 nan 8.270 nan 0.000 0.429 2336 E N 0.158 120.356 120.200 -0.003 0.000 2.047 2336 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 2336 E C 1.981 178.597 176.600 0.026 0.000 0.987 2336 E CA 0.950 57.352 56.400 0.003 0.000 0.799 2336 E CB -0.133 29.578 29.700 0.017 0.000 0.752 2336 E HN 0.476 nan 8.360 nan 0.000 0.449 2337 A N 1.320 124.172 122.820 0.053 0.000 1.865 2337 A HA -0.312 4.008 4.320 -0.001 0.000 0.217 2337 A C 2.075 179.746 177.584 0.145 0.000 1.191 2337 A CA 1.806 53.901 52.037 0.097 0.000 0.623 2337 A CB -0.726 18.337 19.000 0.105 0.000 0.826 2337 A HN 0.191 nan 8.150 nan 0.000 0.444 2338 Q N -0.967 118.919 119.800 0.143 0.000 2.197 2338 Q HA -0.233 4.106 4.340 -0.001 0.000 0.207 2338 Q C 1.979 178.094 176.000 0.192 0.000 0.984 2338 Q CA 1.909 57.847 55.803 0.225 0.000 0.869 2338 Q CB -0.164 28.543 28.738 -0.052 0.000 0.906 2338 Q HN 0.530 nan 8.270 nan 0.000 0.426 2339 K N 0.449 120.821 120.400 -0.047 0.000 2.362 2339 K HA -0.060 4.259 4.320 -0.001 0.000 0.200 2339 K C 1.359 177.870 176.600 -0.148 0.000 1.046 2339 K CA 0.863 56.933 56.287 -0.363 0.000 0.952 2339 K CB 0.275 32.624 32.500 -0.251 0.000 0.753 2339 K HN 0.075 nan 8.250 nan 0.000 0.466 2340 K N -0.232 120.214 120.400 0.076 0.000 2.365 2340 K HA 0.103 4.422 4.320 -0.001 0.000 0.197 2340 K C 0.092 176.873 176.600 0.301 0.000 1.042 2340 K CA 0.434 56.836 56.287 0.192 0.000 0.987 2340 K CB 0.393 32.996 32.500 0.171 0.000 0.779 2340 K HN 0.112 nan 8.250 nan 0.000 0.484 2341 I N 0.802 121.558 120.570 0.310 0.000 2.336 2341 I HA 0.185 4.354 4.170 -0.001 0.000 0.292 2341 I C -0.542 175.797 176.117 0.370 0.000 0.991 2341 I CA -0.773 60.756 61.300 0.382 0.000 1.227 2341 I CB 0.695 38.892 38.000 0.329 0.000 1.366 2341 I HN -0.071 nan 8.210 nan 0.000 0.466 2345 D N 4.177 124.543 120.400 -0.056 0.000 2.589 2345 D HA 0.249 4.888 4.640 -0.001 0.000 0.268 2345 D C 0.860 177.038 176.300 -0.204 0.000 1.182 2345 D CA -0.188 53.784 54.000 -0.047 0.000 1.087 2345 D CB 0.529 41.312 40.800 -0.027 0.000 1.186 2345 D HN 0.586 nan 8.370 nan 0.000 0.620 2346 K N -1.083 119.155 120.400 -0.269 0.000 2.360 2346 K HA -0.137 4.183 4.320 -0.001 0.000 0.201 2346 K C 1.232 177.538 176.600 -0.490 0.000 1.046 2346 K CA 1.207 57.263 56.287 -0.385 0.000 0.945 2346 K CB -0.542 31.645 32.500 -0.521 0.000 0.750 2346 K HN 0.434 nan 8.250 nan 0.000 0.464 2347 Y N 0.674 120.894 120.300 -0.133 0.000 2.458 2347 Y HA 0.239 4.788 4.550 -0.001 0.000 0.254 2347 Y C 1.190 176.947 175.900 -0.238 0.000 1.120 2347 Y CA -0.090 57.931 58.100 -0.130 0.000 1.282 2347 Y CB 1.334 39.743 38.460 -0.084 0.000 1.109 2347 Y HN 0.365 nan 8.280 nan 0.000 0.526 2348 G N 0.371 108.902 108.800 -0.448 0.000 2.298 2348 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.309 2348 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.309 2348 G C -1.851 172.576 174.900 -0.788 0.000 1.279 2348 G CA -1.170 43.426 45.100 -0.841 0.000 1.042 2348 G HN -0.050 nan 8.290 nan 0.000 0.480 2349 L N 0.943 121.983 121.223 -0.305 0.000 2.455 2349 L HA 0.481 4.821 4.340 -0.001 0.000 0.272 2349 L C 0.924 177.886 176.870 0.154 0.000 1.174 2349 L CA -0.321 54.610 54.840 0.153 0.000 0.869 2349 L CB 0.386 42.654 42.059 0.348 0.000 1.130 2349 L HN 0.449 nan 8.230 nan 0.000 0.474 2350 L N 7.268 128.617 121.223 0.210 0.000 2.454 2350 L HA 0.232 4.571 4.340 -0.001 0.000 0.284 2350 L C -0.206 176.760 176.870 0.159 0.000 1.139 2350 L CA -0.281 54.644 54.840 0.141 0.000 0.911 2350 L CB -0.241 41.879 42.059 0.102 0.000 1.262 2350 L HN 0.502 nan 8.230 nan 0.000 0.453 2351 V N 0.715 120.712 119.914 0.139 0.000 2.960 2351 V HA 0.502 4.622 4.120 -0.001 0.000 0.315 2351 V C 0.043 176.177 176.094 0.066 0.000 1.087 2351 V CA -1.458 60.931 62.300 0.148 0.000 0.982 2351 V CB 2.002 33.954 31.823 0.215 0.000 1.039 2351 V HN 0.524 nan 8.190 nan 0.000 0.437 2352 K N 1.490 121.922 120.400 0.053 0.000 2.436 2352 K HA 0.459 4.779 4.320 -0.001 0.000 0.275 2352 K C 1.194 177.810 176.600 0.028 0.000 0.999 2352 K CA 1.100 57.401 56.287 0.023 0.000 0.980 2352 K CB 0.446 32.960 32.500 0.022 0.000 0.919 2352 K HN 1.617 nan 8.250 nan 0.000 0.484 2353 G N 2.003 110.808 108.800 0.009 0.000 2.153 2353 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.252 2353 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.252 2353 G C -0.031 174.873 174.900 0.007 0.000 0.994 2353 G CA 0.719 45.822 45.100 0.006 0.000 0.698 2353 G HN 0.715 nan 8.290 nan 0.000 0.521 2354 R N -0.737 119.769 120.500 0.009 0.000 2.582 2354 R HA 0.681 5.020 4.340 -0.001 0.000 0.271 2354 R C 1.436 177.724 176.300 -0.021 0.000 1.078 2354 R CA 0.102 56.205 56.100 0.006 0.000 1.127 2354 R CB 0.709 31.021 30.300 0.020 0.000 1.038 2354 R HN 0.003 nan 8.270 nan 0.000 0.500 2355 K N 2.492 122.873 120.400 -0.032 0.000 2.032 2355 K HA -0.052 4.267 4.320 -0.001 0.000 0.209 2355 K C 0.410 176.946 176.600 -0.106 0.000 1.048 2355 K CA 1.771 58.021 56.287 -0.062 0.000 0.927 2355 K CB -0.522 31.940 32.500 -0.064 0.000 0.712 2355 K HN 0.761 nan 8.250 nan 0.000 0.441 2356 A N 2.000 124.736 122.820 -0.140 0.000 2.531 2356 A HA 0.076 4.395 4.320 -0.001 0.000 0.236 2356 A C -0.403 177.107 177.584 -0.125 0.000 1.062 2356 A CA -0.180 51.717 52.037 -0.234 0.000 0.760 2356 A CB 0.062 18.905 19.000 -0.262 0.000 0.995 2356 A HN 0.202 nan 8.150 nan 0.000 0.501 2357 K N 0.879 121.200 120.400 -0.132 0.000 2.380 2357 K HA 0.279 4.598 4.320 -0.001 0.000 0.267 2357 K C -0.760 175.828 176.600 -0.019 0.000 0.990 2357 K CA 0.466 56.715 56.287 -0.064 0.000 0.946 2357 K CB 0.441 32.906 32.500 -0.058 0.000 0.937 2357 K HN 0.535 nan 8.250 nan 0.000 0.491 2358 I N 2.180 122.739 120.570 -0.019 0.000 2.478 2358 I HA 0.009 4.178 4.170 -0.001 0.000 0.287 2358 I C -0.092 176.013 176.117 -0.020 0.000 1.042 2358 I CA -0.740 60.554 61.300 -0.010 0.000 1.067 2358 I CB 1.817 39.803 38.000 -0.023 0.000 1.233 2358 I HN 0.654 nan 8.210 nan 0.000 0.431 2359 D N 3.371 123.768 120.400 -0.005 0.000 2.433 2359 D HA 0.102 4.742 4.640 -0.001 0.000 0.255 2359 D C 1.278 177.540 176.300 -0.064 0.000 1.226 2359 D CA -0.264 53.728 54.000 -0.013 0.000 1.015 2359 D CB 0.620 41.442 40.800 0.036 0.000 1.091 2359 D HN 0.435 nan 8.370 nan 0.000 0.527 2360 S N -1.277 114.346 115.700 -0.129 0.000 2.399 2360 S HA -0.223 4.246 4.470 -0.001 0.000 0.231 2360 S C 1.859 176.247 174.600 -0.354 0.000 1.022 2360 S CA 0.674 58.709 58.200 -0.275 0.000 0.983 2360 S CB -0.977 61.984 63.200 -0.399 0.000 0.803 2360 S HN 0.578 nan 8.310 nan 0.000 0.480 2361 Y N 2.156 122.325 120.300 -0.218 0.000 2.243 2361 Y HA 0.078 4.627 4.550 -0.001 0.000 0.293 2361 Y C 2.924 178.766 175.900 -0.097 0.000 1.124 2361 Y CA 1.183 59.148 58.100 -0.225 0.000 1.159 2361 Y CB -0.520 37.651 38.460 -0.483 0.000 1.008 2361 Y HN 0.325 nan 8.280 nan 0.000 0.527 2362 Q N 0.091 119.936 119.800 0.075 0.000 2.291 2362 Q HA -0.167 4.172 4.340 -0.001 0.000 0.205 2362 Q C 1.939 177.937 176.000 -0.003 0.000 0.970 2362 Q CA 0.855 56.716 55.803 0.096 0.000 0.876 2362 Q CB -0.113 28.656 28.738 0.051 0.000 0.935 2362 Q HN 0.485 nan 8.270 nan 0.000 0.455 2363 E N 0.906 121.053 120.200 -0.090 0.000 2.068 2363 E HA -0.215 4.134 4.350 -0.001 0.000 0.207 2363 E C -0.757 175.695 176.600 -0.247 0.000 1.032 2363 E CA 1.760 58.067 56.400 -0.154 0.000 0.839 2363 E CB -0.871 28.733 29.700 -0.160 0.000 0.758 2363 E HN 0.284 nan 8.360 nan 0.000 0.457 2364 P HA -0.139 nan 4.420 nan 0.000 0.219 2364 P C 0.700 177.597 177.300 -0.672 0.000 1.146 2364 P CA 1.320 64.086 63.100 -0.556 0.000 0.808 2364 P CB -0.200 31.024 31.700 -0.793 0.000 0.779 2365 F N -2.327 117.468 119.950 -0.259 0.000 2.695 2365 F HA 0.155 4.681 4.527 -0.001 0.000 0.303 2365 F C 0.694 175.889 175.800 -1.008 0.000 1.091 2365 F CA -0.010 57.694 58.000 -0.493 0.000 1.300 2365 F CB -0.486 38.395 39.000 -0.197 0.000 1.071 2365 F HN -0.343 nan 8.300 nan 0.000 0.578 2366 T N 1.939 116.131 114.554 -0.604 0.000 2.727 2366 T HA 0.243 4.592 4.350 -0.001 0.000 0.298 2366 T C -0.222 174.151 174.700 -0.545 0.000 0.942 2366 T CA -0.216 61.609 62.100 -0.458 0.000 0.997 2366 T CB 0.130 68.886 68.868 -0.186 0.000 0.917 2366 T HN 0.085 nan 8.240 nan 0.000 0.487 2367 H N 0.653 119.569 119.070 -0.256 0.000 2.754 2367 H HA 0.454 5.009 4.556 -0.001 0.000 0.352 2367 H C 0.258 175.566 175.328 -0.033 0.000 1.213 2367 H CA -1.168 54.725 56.048 -0.259 0.000 1.244 2367 H CB 0.858 30.245 29.762 -0.625 0.000 1.843 2367 H HN 0.438 nan 8.280 nan 0.000 0.587 2368 S N 0.540 116.345 115.700 0.175 0.000 2.537 2368 S HA 0.236 4.705 4.470 -0.001 0.000 0.286 2368 S C 0.609 175.381 174.600 0.286 0.000 1.299 2368 S CA -0.479 57.827 58.200 0.176 0.000 1.067 2368 S CB 0.239 63.518 63.200 0.131 0.000 0.864 2368 S HN 0.734 nan 8.310 nan 0.000 0.494 2369 A N 5.281 128.236 122.820 0.225 0.000 2.565 2369 A HA 0.331 4.650 4.320 -0.001 0.000 0.237 2369 A C -1.320 176.388 177.584 0.207 0.000 1.053 2369 A CA -0.733 51.444 52.037 0.234 0.000 0.755 2369 A CB -0.614 18.472 19.000 0.144 0.000 0.980 2369 A HN 0.603 nan 8.150 nan 0.000 0.506 2370 P HA 0.252 nan 4.420 nan 0.000 0.277 2370 P C 0.342 177.667 177.300 0.042 0.000 1.271 2370 P CA -0.352 62.795 63.100 0.078 0.000 0.795 2370 P CB 0.456 32.115 31.700 -0.069 0.000 1.101 2371 E N -0.810 119.401 120.200 0.017 0.000 2.200 2371 E HA -0.169 4.180 4.350 -0.001 0.000 0.211 2371 E C 0.900 177.507 176.600 0.011 0.000 1.048 2371 E CA 1.666 58.072 56.400 0.011 0.000 0.851 2371 E CB -0.624 29.072 29.700 -0.006 0.000 0.747 2371 E HN 0.365 nan 8.360 nan 0.000 0.462 2372 S N -1.194 114.506 115.700 -0.001 0.000 2.570 2372 S HA 0.491 4.960 4.470 -0.001 0.000 0.286 2372 S C -1.103 173.508 174.600 0.018 0.000 1.099 2372 S CA -0.897 57.307 58.200 0.007 0.000 0.913 2372 S CB 0.773 63.969 63.200 -0.007 0.000 1.085 2372 S HN 0.016 nan 8.310 nan 0.000 0.480 2373 I N 5.107 125.700 120.570 0.038 0.000 2.287 2373 I HA 0.313 4.482 4.170 -0.001 0.000 0.290 2373 I C -1.957 174.204 176.117 0.073 0.000 1.069 2373 I CA -2.320 59.019 61.300 0.064 0.000 1.237 2373 I CB 0.427 38.469 38.000 0.070 0.000 1.418 2373 I HN 0.466 nan 8.210 nan 0.000 0.481 2374 P HA 0.089 nan 4.420 nan 0.000 0.265 2374 P C -0.057 177.359 177.300 0.193 0.000 1.193 2374 P CA 0.191 63.354 63.100 0.105 0.000 0.765 2374 P CB 1.558 33.314 31.700 0.094 0.000 0.823 2375 D N 0.001 120.495 120.400 0.156 0.000 2.277 2375 D HA -0.016 4.623 4.640 -0.001 0.000 0.209 2375 D C 0.812 177.278 176.300 0.276 0.000 0.970 2375 D CA 1.008 55.118 54.000 0.184 0.000 0.874 2375 D CB 0.386 41.253 40.800 0.112 0.000 0.982 2375 D HN 0.528 nan 8.370 nan 0.000 0.504 2376 T N -3.672 111.003 114.554 0.200 0.000 2.907 2376 T HA 0.211 4.561 4.350 -0.001 0.000 0.290 2376 T C 0.416 175.047 174.700 -0.115 0.000 1.066 2376 T CA -0.825 61.374 62.100 0.165 0.000 1.012 2376 T CB 0.983 69.906 68.868 0.092 0.000 1.184 2376 T HN -0.087 nan 8.240 nan 0.000 0.522 2377 F N 0.395 120.069 119.950 -0.459 0.000 2.451 2377 F HA 0.122 4.649 4.527 -0.001 0.000 0.299 2377 F C 2.282 177.874 175.800 -0.347 0.000 1.101 2377 F CA 1.241 58.801 58.000 -0.734 0.000 1.436 2377 F CB -0.118 38.562 39.000 -0.533 0.000 1.074 2377 F HN 0.811 nan 8.300 nan 0.000 0.553 2378 E N -0.014 120.087 120.200 -0.166 0.000 2.072 2378 E HA -0.185 4.164 4.350 -0.001 0.000 0.190 2378 E C 1.604 178.071 176.600 -0.222 0.000 0.982 2378 E CA 1.314 57.615 56.400 -0.164 0.000 0.803 2378 E CB -0.052 29.616 29.700 -0.053 0.000 0.755 2378 E HN 0.356 nan 8.360 nan 0.000 0.453 2379 D N 0.431 120.729 120.400 -0.170 0.000 2.117 2379 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 2379 D C 1.766 177.937 176.300 -0.215 0.000 0.987 2379 D CA 1.327 55.245 54.000 -0.137 0.000 0.829 2379 D CB -0.329 40.441 40.800 -0.050 0.000 0.961 2379 D HN 0.217 nan 8.370 nan 0.000 0.460 2380 A N 0.515 123.136 122.820 -0.332 0.000 1.865 2380 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 2380 A C 2.532 179.835 177.584 -0.468 0.000 1.191 2380 A CA 1.437 53.232 52.037 -0.403 0.000 0.623 2380 A CB -0.957 17.688 19.000 -0.591 0.000 0.826 2380 A HN 0.146 nan 8.150 nan 0.000 0.444 2381 V N 1.019 120.572 119.914 -0.601 0.000 2.332 2381 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 2381 V C 2.388 178.300 176.094 -0.304 0.000 1.055 2381 V CA 2.316 64.329 62.300 -0.478 0.000 1.038 2381 V CB -0.919 30.626 31.823 -0.463 0.000 0.651 2381 V HN 0.577 nan 8.190 nan 0.000 0.450 2382 N N -0.093 118.456 118.700 -0.252 0.000 2.106 2382 N HA -0.047 4.693 4.740 -0.001 0.000 0.188 2382 N C 1.757 177.164 175.510 -0.171 0.000 1.029 2382 N CA 1.624 54.568 53.050 -0.178 0.000 0.848 2382 N CB -0.274 38.130 38.487 -0.138 0.000 1.007 2382 N HN 0.431 nan 8.380 nan 0.000 0.423 2383 I N 0.337 120.794 120.570 -0.188 0.000 2.202 2383 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 2383 I C 1.710 177.688 176.117 -0.231 0.000 1.091 2383 I CA 0.752 61.944 61.300 -0.180 0.000 1.368 2383 I CB -0.070 37.827 38.000 -0.172 0.000 1.058 2383 I HN 0.013 nan 8.210 nan 0.000 0.410 2384 L N 0.351 121.386 121.223 -0.313 0.000 2.240 2384 L HA -0.013 4.326 4.340 -0.001 0.000 0.211 2384 L C 0.890 177.603 176.870 -0.262 0.000 1.106 2384 L CA 0.904 55.512 54.840 -0.387 0.000 0.793 2384 L CB -0.712 41.029 42.059 -0.531 0.000 0.927 2384 L HN 0.135 nan 8.230 nan 0.000 0.446 2385 K N -0.549 119.718 120.400 -0.222 0.000 3.257 2385 K HA -0.154 4.166 4.320 -0.001 0.000 0.270 2385 K C -2.277 174.237 176.600 -0.143 0.000 0.984 2385 K CA 0.242 56.430 56.287 -0.164 0.000 0.739 2385 K CB -1.246 31.179 32.500 -0.124 0.000 1.351 2385 K HN 0.257 nan 8.250 nan 0.000 0.463 2386 P HA 0.015 nan 4.420 nan 0.000 0.272 2386 P C 0.386 177.627 177.300 -0.098 0.000 1.223 2386 P CA -0.006 63.026 63.100 -0.114 0.000 0.784 2386 P CB 1.542 33.164 31.700 -0.130 0.000 0.923 2387 S N 0.051 115.712 115.700 -0.065 0.000 2.456 2387 S HA 0.080 4.549 4.470 -0.001 0.000 0.224 2387 S C 0.722 175.272 174.600 -0.084 0.000 1.035 2387 S CA 0.462 58.624 58.200 -0.063 0.000 0.940 2387 S CB -0.418 62.763 63.200 -0.031 0.000 0.799 2387 S HN 0.510 nan 8.310 nan 0.000 0.508 2388 T N 1.851 116.342 114.554 -0.106 0.000 2.893 2388 T HA 0.723 5.072 4.350 -0.001 0.000 0.291 2388 T C -1.485 173.105 174.700 -0.184 0.000 1.028 2388 T CA -0.404 61.590 62.100 -0.176 0.000 0.995 2388 T CB 1.887 70.609 68.868 -0.242 0.000 1.051 2388 T HN 0.139 nan 8.240 nan 0.000 0.470 2389 I N 2.315 122.772 120.570 -0.189 0.000 2.533 2389 I HA 0.552 4.721 4.170 -0.001 0.000 0.290 2389 I C -1.304 174.798 176.117 -0.024 0.000 1.056 2389 I CA -0.797 60.434 61.300 -0.114 0.000 1.057 2389 I CB 1.484 39.342 38.000 -0.237 0.000 1.240 2389 I HN 0.578 nan 8.210 nan 0.000 0.423 2390 I N 6.390 126.988 120.570 0.047 0.000 2.439 2390 I HA 0.432 4.601 4.170 -0.001 0.000 0.283 2390 I C 0.289 176.609 176.117 0.338 0.000 1.023 2390 I CA -0.648 60.739 61.300 0.145 0.000 1.100 2390 I CB 1.817 39.701 38.000 -0.193 0.000 1.238 2390 I HN 0.664 nan 8.210 nan 0.000 0.445 2391 G N 4.593 113.576 108.800 0.306 0.000 2.333 2391 G HA2 0.458 4.417 3.960 -0.001 0.000 0.290 2391 G HA3 0.458 4.417 3.960 -0.001 0.000 0.290 2391 G C -0.355 174.537 174.900 -0.013 0.000 1.150 2391 G CA -0.170 44.878 45.100 -0.086 0.000 0.895 2391 G HN 0.427 nan 8.290 nan 0.000 0.444 2392 V N 2.256 122.176 119.914 0.010 0.000 3.727 2392 V HA 0.410 4.529 4.120 -0.001 0.000 0.519 2392 V C 0.779 176.878 176.094 0.007 0.000 1.676 2392 V CA 0.365 62.686 62.300 0.035 0.000 2.301 2392 V CB 0.351 32.251 31.823 0.128 0.000 1.103 2392 V HN 0.952 nan 8.190 nan 0.000 0.623 2393 A N 0.222 123.011 122.820 -0.051 0.000 2.288 2393 A HA 0.580 4.900 4.320 -0.001 0.000 0.216 2393 A C 1.862 179.413 177.584 -0.055 0.000 1.199 2393 A CA 0.755 52.765 52.037 -0.046 0.000 0.891 2393 A CB 0.100 19.061 19.000 -0.067 0.000 0.923 2393 A HN 1.759 nan 8.150 nan 0.000 0.500 2394 G N -1.023 107.737 108.800 -0.067 0.000 2.258 2394 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.274 2394 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.274 2394 G C 0.750 175.614 174.900 -0.059 0.000 1.021 2394 G CA 0.618 45.683 45.100 -0.059 0.000 0.798 2394 G HN 1.564 nan 8.290 nan 0.000 0.507 2395 A N -0.798 121.979 122.820 -0.072 0.000 2.503 2395 A HA 0.729 5.048 4.320 -0.001 0.000 0.263 2395 A C 1.791 179.341 177.584 -0.057 0.000 1.258 2395 A CA 1.304 53.306 52.037 -0.059 0.000 0.936 2395 A CB -0.056 18.912 19.000 -0.054 0.000 1.070 2395 A HN 2.545 nan 8.150 nan 0.000 0.522 2396 G N -0.191 108.569 108.800 -0.067 0.000 2.548 2396 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.208 2396 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.208 2396 G C -0.479 174.377 174.900 -0.072 0.000 1.308 2396 G CA -0.886 44.183 45.100 -0.051 0.000 0.924 2396 G HN 0.265 nan 8.290 nan 0.000 0.540 2397 R N 0.649 121.129 120.500 -0.032 0.000 3.955 2397 R HA 0.141 4.480 4.340 -0.001 0.000 0.170 2397 R C 1.272 177.563 176.300 -0.014 0.000 1.821 2397 R CA -0.193 55.896 56.100 -0.019 0.000 1.329 2397 R CB -0.964 29.347 30.300 0.017 0.000 1.345 2397 R HN 0.340 nan 8.270 nan 0.000 0.763 2398 L N -0.007 121.167 121.223 -0.082 0.000 2.529 2398 L HA 0.169 4.508 4.340 -0.001 0.000 0.223 2398 L C 0.790 177.763 176.870 0.172 0.000 1.113 2398 L CA 0.584 55.408 54.840 -0.026 0.000 0.861 2398 L CB -0.347 41.631 42.059 -0.135 0.000 1.012 2398 L HN 0.296 nan 8.230 nan 0.000 0.461 2399 F N 1.512 121.445 119.950 -0.028 0.000 2.499 2399 F HA 0.148 4.675 4.527 -0.001 0.000 0.353 2399 F C 1.050 176.865 175.800 0.024 0.000 1.196 2399 F CA -0.920 57.090 58.000 0.016 0.000 1.244 2399 F CB 0.210 39.230 39.000 0.034 0.000 1.577 2399 F HN 0.016 nan 8.300 nan 0.000 0.614 2400 T N -0.518 114.162 114.554 0.209 0.000 2.828 2400 T HA 0.130 4.479 4.350 -0.001 0.000 0.290 2400 T C -1.747 172.997 174.700 0.074 0.000 1.019 2400 T CA -1.716 60.451 62.100 0.112 0.000 1.031 2400 T CB 1.309 70.228 68.868 0.086 0.000 1.001 2400 T HN 0.111 nan 8.240 nan 0.000 0.531 2401 P HA -0.127 nan 4.420 nan 0.000 0.216 2401 P C 1.140 178.443 177.300 0.005 0.000 1.154 2401 P CA 1.130 64.239 63.100 0.014 0.000 0.865 2401 P CB -0.032 31.673 31.700 0.008 0.000 0.789 2402 D N -1.162 119.244 120.400 0.011 0.000 2.117 2402 D HA -0.103 4.536 4.640 -0.001 0.000 0.197 2402 D C 2.010 178.301 176.300 -0.015 0.000 0.987 2402 D CA 0.939 54.938 54.000 -0.002 0.000 0.829 2402 D CB -0.694 40.109 40.800 0.005 0.000 0.961 2402 D HN -0.021 nan 8.370 nan 0.000 0.460 2403 V N 0.869 120.787 119.914 0.007 0.000 2.379 2403 V HA -0.168 3.952 4.120 -0.001 0.000 0.245 2403 V C 2.454 178.509 176.094 -0.066 0.000 1.044 2403 V CA 0.933 63.223 62.300 -0.016 0.000 1.036 2403 V CB -0.185 31.683 31.823 0.076 0.000 0.664 2403 V HN 0.177 nan 8.190 nan 0.000 0.453 2404 I N -0.617 119.929 120.570 -0.040 0.000 2.252 2404 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 2404 I C 2.706 178.786 176.117 -0.062 0.000 1.102 2404 I CA 1.463 62.728 61.300 -0.059 0.000 1.385 2404 I CB -0.376 37.606 38.000 -0.031 0.000 1.064 2404 I HN 0.188 nan 8.210 nan 0.000 0.414 2405 R N 0.862 121.334 120.500 -0.047 0.000 2.092 2405 R HA 0.021 4.360 4.340 -0.001 0.000 0.231 2405 R C 1.345 177.611 176.300 -0.056 0.000 1.119 2405 R CA 0.783 56.856 56.100 -0.045 0.000 0.970 2405 R CB -0.253 30.027 30.300 -0.033 0.000 0.864 2405 R HN 0.311 nan 8.270 nan 0.000 0.440 2409 S N 0.127 115.795 115.700 -0.053 0.000 2.371 2409 S HA 0.007 4.476 4.470 -0.001 0.000 0.224 2409 S C 1.851 176.419 174.600 -0.052 0.000 1.029 2409 S CA 1.582 59.753 58.200 -0.048 0.000 0.978 2409 S CB -0.398 62.772 63.200 -0.050 0.000 0.833 2409 S HN 0.450 nan 8.310 nan 0.000 0.466 2410 I N 1.576 122.107 120.570 -0.065 0.000 2.353 2410 I HA -0.012 4.158 4.170 -0.001 0.000 0.248 2410 I C 0.564 176.644 176.117 -0.062 0.000 1.119 2410 I CA 0.637 61.895 61.300 -0.070 0.000 1.417 2410 I CB -0.064 37.881 38.000 -0.092 0.000 1.078 2410 I HN 0.297 nan 8.210 nan 0.000 0.421 2411 N N 0.082 118.745 118.700 -0.060 0.000 2.335 2411 N HA 0.090 4.830 4.740 -0.001 0.000 0.304 2411 N C 0.527 176.014 175.510 -0.038 0.000 1.135 2411 N CA -0.302 52.717 53.050 -0.051 0.000 0.817 2411 N CB 2.198 40.651 38.487 -0.056 0.000 1.294 2411 N HN -0.089 nan 8.380 nan 0.000 0.497 2412 E N 1.048 121.230 120.200 -0.030 0.000 2.076 2412 E HA 0.002 4.351 4.350 -0.001 0.000 0.190 2412 E C -0.271 176.322 176.600 -0.012 0.000 0.979 2412 E CA 1.448 57.837 56.400 -0.019 0.000 0.807 2412 E CB 0.401 30.092 29.700 -0.014 0.000 0.761 2412 E HN 0.348 nan 8.360 nan 0.000 0.454 2413 R N 1.400 121.894 120.500 -0.011 0.000 2.494 2413 R HA 0.333 4.672 4.340 -0.001 0.000 0.284 2413 R C -2.479 173.816 176.300 -0.009 0.000 1.525 2413 R CA -1.977 54.124 56.100 0.001 0.000 1.460 2413 R CB 0.872 31.182 30.300 0.017 0.000 1.134 2413 R HN 0.176 nan 8.270 nan 0.000 0.592 2414 P HA 0.124 nan 4.420 nan 0.000 0.275 2414 P C -0.038 177.254 177.300 -0.013 0.000 1.227 2414 P CA -0.287 62.792 63.100 -0.036 0.000 0.781 2414 P CB 1.239 32.905 31.700 -0.056 0.000 0.906 2415 V N 4.843 124.732 119.914 -0.041 0.000 2.364 2415 V HA 0.319 4.438 4.120 -0.001 0.000 0.272 2415 V C 0.585 176.666 176.094 -0.022 0.000 1.036 2415 V CA -0.310 61.971 62.300 -0.033 0.000 0.880 2415 V CB 0.552 32.268 31.823 -0.178 0.000 0.991 2415 V HN 0.381 nan 8.190 nan 0.000 0.460 2416 I N 5.705 126.371 120.570 0.160 0.000 2.411 2416 I HA 0.435 4.604 4.170 -0.001 0.000 0.284 2416 I C -1.160 175.222 176.117 0.441 0.000 1.012 2416 I CA -0.205 61.228 61.300 0.221 0.000 1.119 2416 I CB 1.364 39.499 38.000 0.226 0.000 1.261 2416 I HN 0.371 nan 8.210 nan 0.000 0.448 2417 F N 4.861 124.824 119.950 0.021 0.000 2.375 2417 F HA 0.550 5.077 4.527 -0.001 0.000 0.361 2417 F C 0.464 176.306 175.800 0.070 0.000 1.117 2417 F CA -1.431 56.524 58.000 -0.075 0.000 1.037 2417 F CB 1.858 40.841 39.000 -0.028 0.000 1.192 2417 F HN 0.407 nan 8.300 nan 0.000 0.452 2418 A N 5.685 128.522 122.820 0.027 0.000 2.511 2418 A HA 0.577 4.897 4.320 -0.001 0.000 0.340 2418 A C 0.318 177.880 177.584 -0.037 0.000 1.396 2418 A CA -0.315 51.730 52.037 0.012 0.000 0.887 2418 A CB -0.102 18.965 19.000 0.110 0.000 1.145 2418 A HN 0.846 nan 8.150 nan 0.000 0.497 2419 L N 1.238 122.456 121.223 -0.008 0.000 2.567 2419 L HA 0.084 4.423 4.340 -0.001 0.000 0.225 2419 L C 0.789 177.650 176.870 -0.014 0.000 1.119 2419 L CA 0.053 54.891 54.840 -0.002 0.000 0.871 2419 L CB -0.053 42.043 42.059 0.062 0.000 1.036 2419 L HN 0.531 nan 8.230 nan 0.000 0.459 2420 S N 1.076 116.752 115.700 -0.040 0.000 2.568 2420 S HA 0.177 4.646 4.470 -0.001 0.000 0.282 2420 S C 0.064 174.633 174.600 -0.051 0.000 1.338 2420 S CA -0.205 57.966 58.200 -0.049 0.000 1.045 2420 S CB 0.428 63.583 63.200 -0.075 0.000 0.873 2420 S HN 0.265 nan 8.310 nan 0.000 0.516 2421 N N 2.078 120.739 118.700 -0.064 0.000 2.312 2421 N HA 0.544 5.283 4.740 -0.001 0.000 0.296 2421 N C -2.793 172.665 175.510 -0.086 0.000 1.193 2421 N CA -1.527 51.469 53.050 -0.090 0.000 0.773 2421 N CB 1.617 40.028 38.487 -0.126 0.000 1.435 2421 N HN 0.272 nan 8.380 nan 0.000 0.484 2422 P HA 0.174 nan 4.420 nan 0.000 0.297 2422 P C 0.535 177.780 177.300 -0.091 0.000 1.303 2422 P CA -0.030 63.003 63.100 -0.111 0.000 0.753 2422 P CB 0.336 31.971 31.700 -0.108 0.000 1.281 2423 T N 0.045 114.530 114.554 -0.114 0.000 2.680 2423 T HA -0.258 4.091 4.350 -0.001 0.000 0.268 2423 T C 1.873 176.568 174.700 -0.009 0.000 1.033 2423 T CA 2.585 64.622 62.100 -0.105 0.000 1.152 2423 T CB -1.211 67.561 68.868 -0.160 0.000 0.859 2423 T HN 0.548 nan 8.240 nan 0.000 0.452 2424 A N 0.657 123.468 122.820 -0.015 0.000 2.070 2424 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 2424 A C 2.204 179.789 177.584 0.001 0.000 1.159 2424 A CA 1.297 53.337 52.037 0.006 0.000 0.656 2424 A CB -0.429 18.567 19.000 -0.007 0.000 0.800 2424 A HN 0.390 nan 8.150 nan 0.000 0.453 2425 Q N -0.586 119.203 119.800 -0.019 0.000 2.392 2425 Q HA 0.445 4.785 4.340 -0.001 0.000 0.203 2425 Q C 0.860 176.836 176.000 -0.040 0.000 0.917 2425 Q CA 0.533 56.317 55.803 -0.033 0.000 0.939 2425 Q CB -0.207 28.503 28.738 -0.046 0.000 1.063 2425 Q HN 0.617 nan 8.270 nan 0.000 0.516 2426 A N 0.470 123.287 122.820 -0.006 0.000 2.492 2426 A HA -0.001 4.318 4.320 -0.001 0.000 0.236 2426 A C 0.762 178.317 177.584 -0.047 0.000 1.078 2426 A CA -0.016 52.025 52.037 0.007 0.000 0.773 2426 A CB 0.342 19.430 19.000 0.148 0.000 1.023 2426 A HN 0.195 nan 8.150 nan 0.000 0.504 2427 E N -0.848 119.255 120.200 -0.161 0.000 2.216 2427 E HA 0.093 4.442 4.350 -0.001 0.000 0.192 2427 E C 0.496 177.053 176.600 -0.072 0.000 0.988 2427 E CA 1.427 57.620 56.400 -0.344 0.000 0.834 2427 E CB -0.210 28.806 29.700 -1.141 0.000 0.772 2427 E HN 0.904 nan 8.360 nan 0.000 0.479 2428 C N -2.967 116.384 119.300 0.086 0.000 3.216 2428 C HA 0.603 5.063 4.460 -0.001 0.000 0.346 2428 C C -0.120 174.910 174.990 0.066 0.000 1.384 2428 C CA -0.730 58.356 59.018 0.113 0.000 1.208 2428 C CB 0.852 28.705 27.740 0.188 0.000 1.483 2428 C HN 0.231 nan 8.230 nan 0.000 0.453 2429 T N -0.622 113.820 114.554 -0.188 0.000 2.927 2429 T HA 0.664 5.014 4.350 -0.001 0.000 0.281 2429 T C 1.182 175.324 174.700 -0.929 0.000 0.998 2429 T CA 0.208 61.878 62.100 -0.716 0.000 1.019 2429 T CB 1.458 69.968 68.868 -0.596 0.000 1.061 2429 T HN 2.153 nan 8.240 nan 0.000 0.518 2430 A N 0.345 122.368 122.820 -1.329 0.000 1.902 2430 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 2430 A C 2.248 179.411 177.584 -0.703 0.000 1.181 2430 A CA 1.886 53.148 52.037 -1.292 0.000 0.623 2430 A CB -1.161 17.502 19.000 -0.561 0.000 0.818 2430 A HN 1.056 nan 8.150 nan 0.000 0.443 2431 E N -0.208 119.739 120.200 -0.422 0.000 2.110 2431 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 2431 E C 1.864 178.344 176.600 -0.199 0.000 0.988 2431 E CA 1.509 57.800 56.400 -0.181 0.000 0.804 2431 E CB -0.168 29.457 29.700 -0.125 0.000 0.745 2431 E HN 0.734 nan 8.360 nan 0.000 0.458 2432 E N -0.142 119.892 120.200 -0.276 0.000 2.072 2432 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 2432 E C 1.941 178.407 176.600 -0.222 0.000 0.985 2432 E CA 1.043 57.327 56.400 -0.192 0.000 0.801 2432 E CB -0.094 29.514 29.700 -0.155 0.000 0.750 2432 E HN 0.406 nan 8.360 nan 0.000 0.452 2433 A N 0.086 122.662 122.820 -0.408 0.000 1.873 2433 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 2433 A C 1.864 179.211 177.584 -0.396 0.000 1.186 2433 A CA 1.240 53.012 52.037 -0.441 0.000 0.616 2433 A CB -0.829 17.701 19.000 -0.783 0.000 0.823 2433 A HN 0.320 nan 8.150 nan 0.000 0.442 2434 Y N 0.638 120.744 120.300 -0.325 0.000 2.153 2434 Y HA -0.195 4.355 4.550 -0.001 0.000 0.289 2434 Y C 3.262 179.037 175.900 -0.208 0.000 1.127 2434 Y CA 1.701 59.608 58.100 -0.321 0.000 1.131 2434 Y CB -0.577 37.676 38.460 -0.346 0.000 0.995 2434 Y HN 0.507 nan 8.280 nan 0.000 0.505 2435 T N -1.482 113.078 114.554 0.011 0.000 2.788 2435 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 2435 T C 1.674 176.361 174.700 -0.023 0.000 1.044 2435 T CA 1.126 63.227 62.100 0.002 0.000 1.139 2435 T CB -0.561 68.304 68.868 -0.004 0.000 0.867 2435 T HN 0.087 nan 8.240 nan 0.000 0.454 2436 L N 2.428 123.620 121.223 -0.050 0.000 2.395 2436 L HA 0.220 4.560 4.340 -0.001 0.000 0.218 2436 L C 2.391 179.235 176.870 -0.045 0.000 1.130 2436 L CA 1.635 56.448 54.840 -0.044 0.000 0.826 2436 L CB -0.767 41.262 42.059 -0.050 0.000 0.941 2436 L HN 0.722 nan 8.230 nan 0.000 0.451 2437 T N -4.675 109.845 114.554 -0.055 0.000 3.129 2437 T HA 0.137 4.486 4.350 -0.001 0.000 0.267 2437 T C 0.393 175.071 174.700 -0.037 0.000 1.018 2437 T CA -0.234 61.836 62.100 -0.050 0.000 0.903 2437 T CB -0.096 68.731 68.868 -0.067 0.000 1.067 2437 T HN 0.375 nan 8.240 nan 0.000 0.549 2438 E N 0.936 121.122 120.200 -0.023 0.000 2.360 2438 E HA -0.242 4.107 4.350 -0.001 0.000 0.238 2438 E C 1.029 177.623 176.600 -0.011 0.000 1.186 2438 E CA 0.421 56.822 56.400 0.002 0.000 0.719 2438 E CB -2.454 27.253 29.700 0.012 0.000 1.236 2438 E HN 1.126 nan 8.360 nan 0.000 0.386 2439 G N 0.264 108.999 108.800 -0.109 0.000 2.179 2439 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.257 2439 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.257 2439 G C 0.812 175.564 174.900 -0.247 0.000 1.010 2439 G CA 0.769 45.612 45.100 -0.427 0.000 0.736 2439 G HN 0.442 nan 8.290 nan 0.000 0.513 2440 R N -0.688 119.760 120.500 -0.087 0.000 2.254 2440 R HA 0.169 4.508 4.340 -0.001 0.000 0.195 2440 R C 2.107 178.404 176.300 -0.004 0.000 0.957 2440 R CA 0.812 56.900 56.100 -0.020 0.000 1.024 2440 R CB -0.115 30.180 30.300 -0.008 0.000 0.952 2440 R HN 0.787 nan 8.270 nan 0.000 0.484 2441 C N 0.042 119.329 119.300 -0.022 0.000 2.595 2441 C HA 0.481 4.940 4.460 -0.001 0.000 0.384 2441 C C 0.450 175.496 174.990 0.094 0.000 1.289 2441 C CA -1.177 57.846 59.018 0.009 0.000 2.372 2441 C CB 0.046 27.759 27.740 -0.045 0.000 2.593 2441 C HN 0.171 nan 8.230 nan 0.000 0.639 2442 L N 2.740 124.046 121.223 0.138 0.000 2.295 2442 L HA 0.491 4.830 4.340 -0.001 0.000 0.281 2442 L C -0.405 176.652 176.870 0.312 0.000 1.018 2442 L CA 0.003 54.979 54.840 0.227 0.000 0.841 2442 L CB 0.665 42.837 42.059 0.188 0.000 1.218 2442 L HN 0.840 nan 8.230 nan 0.000 0.424 2443 F N 3.412 123.413 119.950 0.085 0.000 2.538 2443 F HA 0.835 5.362 4.527 -0.001 0.000 0.325 2443 F C -0.446 175.337 175.800 -0.028 0.000 1.066 2443 F CA -0.407 57.600 58.000 0.010 0.000 0.946 2443 F CB 1.804 40.605 39.000 -0.333 0.000 1.199 2443 F HN 0.444 nan 8.300 nan 0.000 0.473 2444 A N 2.676 124.819 122.820 -1.129 0.000 2.572 2444 A HA 0.738 5.057 4.320 -0.001 0.000 0.295 2444 A C -1.375 175.506 177.584 -1.171 0.000 1.072 2444 A CA -0.171 51.284 52.037 -0.969 0.000 0.691 2444 A CB 1.421 19.694 19.000 -1.212 0.000 1.291 2444 A HN 1.156 nan 8.150 nan 0.000 0.404 2445 S N -0.180 115.237 115.700 -0.472 0.000 2.595 2445 S HA 0.684 5.153 4.470 -0.001 0.000 0.281 2445 S C 0.786 175.339 174.600 -0.079 0.000 1.117 2445 S CA 0.024 58.115 58.200 -0.182 0.000 0.873 2445 S CB 1.381 64.772 63.200 0.317 0.000 1.108 2445 S HN 1.807 nan 8.310 nan 0.000 0.477 2446 G N 0.934 109.707 108.800 -0.045 0.000 2.394 2446 G HA2 0.185 4.145 3.960 -0.001 0.000 0.215 2446 G HA3 0.185 4.145 3.960 -0.001 0.000 0.215 2446 G C 0.413 175.282 174.900 -0.052 0.000 1.165 2446 G CA 0.296 45.373 45.100 -0.039 0.000 0.784 2446 G HN 0.708 nan 8.290 nan 0.000 0.535 2447 S N 1.114 116.755 115.700 -0.099 0.000 2.651 2447 S HA 0.529 4.998 4.470 -0.001 0.000 0.291 2447 S C -2.493 171.943 174.600 -0.273 0.000 1.141 2447 S CA -1.035 57.053 58.200 -0.187 0.000 1.027 2447 S CB 2.186 65.234 63.200 -0.253 0.000 1.043 2447 S HN 0.062 nan 8.310 nan 0.000 0.530 2448 P HA 0.256 nan 4.420 nan 0.000 0.268 2448 P C -1.198 175.872 177.300 -0.384 0.000 1.205 2448 P CA 0.203 63.195 63.100 -0.180 0.000 0.771 2448 P CB 0.117 31.777 31.700 -0.066 0.000 0.858 2449 F N 0.363 120.391 119.950 0.130 0.000 2.608 2449 F HA 0.460 4.987 4.527 -0.001 0.000 0.309 2449 F C 1.003 176.881 175.800 0.130 0.000 1.103 2449 F CA -0.781 57.297 58.000 0.130 0.000 0.954 2449 F CB 2.289 41.389 39.000 0.168 0.000 1.267 2449 F HN 0.315 nan 8.300 nan 0.000 0.444 2450 G N 1.839 110.833 108.800 0.325 0.000 2.588 2450 G HA2 0.565 4.524 3.960 -0.001 0.000 0.281 2450 G HA3 0.565 4.524 3.960 -0.001 0.000 0.281 2450 G C -2.769 172.249 174.900 0.196 0.000 1.236 2450 G CA -1.451 43.776 45.100 0.211 0.000 0.969 2450 G HN 0.279 nan 8.290 nan 0.000 0.504 2451 P HA 0.249 nan 4.420 nan 0.000 0.268 2451 P C -0.609 176.745 177.300 0.090 0.000 1.208 2451 P CA -0.270 62.896 63.100 0.109 0.000 0.777 2451 P CB 0.922 32.659 31.700 0.061 0.000 0.875 2452 V N 2.781 122.737 119.914 0.071 0.000 2.487 2452 V HA 0.372 4.492 4.120 -0.001 0.000 0.298 2452 V C 0.116 176.236 176.094 0.042 0.000 1.028 2452 V CA -0.519 61.823 62.300 0.070 0.000 0.860 2452 V CB 1.587 33.491 31.823 0.136 0.000 0.991 2452 V HN 0.450 nan 8.190 nan 0.000 0.427 2453 K N 5.475 125.896 120.400 0.034 0.000 2.358 2453 K HA 0.656 4.975 4.320 -0.001 0.000 0.260 2453 K C -1.104 175.522 176.600 0.043 0.000 0.956 2453 K CA -0.586 55.708 56.287 0.011 0.000 0.834 2453 K CB 1.384 33.878 32.500 -0.010 0.000 1.102 2453 K HN 0.601 nan 8.250 nan 0.000 0.431 2454 L N 2.302 123.565 121.223 0.067 0.000 2.439 2454 L HA 0.279 4.618 4.340 -0.001 0.000 0.259 2454 L C 1.752 178.645 176.870 0.038 0.000 1.129 2454 L CA -0.691 54.192 54.840 0.072 0.000 0.803 2454 L CB 0.766 42.897 42.059 0.120 0.000 1.161 2454 L HN 0.719 nan 8.230 nan 0.000 0.462 2455 T N -2.682 111.892 114.554 0.033 0.000 3.026 2455 T HA -0.161 4.189 4.350 -0.001 0.000 0.271 2455 T C 0.846 175.556 174.700 0.017 0.000 1.149 2455 T CA 1.197 63.309 62.100 0.020 0.000 1.088 2455 T CB -0.606 68.272 68.868 0.018 0.000 0.857 2455 T HN 0.819 nan 8.240 nan 0.000 0.551 2456 D N 0.193 120.607 120.400 0.024 0.000 2.369 2456 D HA 0.266 4.905 4.640 -0.001 0.000 0.211 2456 D C 1.588 177.888 176.300 0.001 0.000 1.077 2456 D CA 0.384 54.394 54.000 0.017 0.000 0.842 2456 D CB -0.464 40.354 40.800 0.030 0.000 0.947 2456 D HN 0.443 nan 8.370 nan 0.000 0.509 2457 G N 0.427 109.223 108.800 -0.007 0.000 2.241 2457 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.244 2457 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.244 2457 G C 0.381 175.237 174.900 -0.073 0.000 0.998 2457 G CA -0.130 44.950 45.100 -0.033 0.000 0.621 2457 G HN 0.449 nan 8.290 nan 0.000 0.519 2458 R N 0.115 120.566 120.500 -0.081 0.000 2.491 2458 R HA 0.506 4.846 4.340 -0.001 0.000 0.283 2458 R C -0.082 176.023 176.300 -0.326 0.000 1.072 2458 R CA 0.035 55.999 56.100 -0.227 0.000 1.048 2458 R CB 1.265 31.453 30.300 -0.188 0.000 0.983 2458 R HN 0.100 nan 8.270 nan 0.000 0.450 2459 V N 5.352 124.967 119.914 -0.498 0.000 2.448 2459 V HA 0.393 4.512 4.120 -0.001 0.000 0.295 2459 V C -0.836 174.847 176.094 -0.684 0.000 1.025 2459 V CA -0.541 61.512 62.300 -0.412 0.000 0.859 2459 V CB 1.107 32.799 31.823 -0.218 0.000 0.988 2459 V HN 0.525 nan 8.190 nan 0.000 0.431 2460 F N 1.901 121.672 119.950 -0.298 0.000 2.467 2460 F HA 0.544 5.071 4.527 -0.001 0.000 0.336 2460 F C 0.637 176.288 175.800 -0.249 0.000 1.123 2460 F CA -0.536 57.200 58.000 -0.440 0.000 0.964 2460 F CB 2.122 40.407 39.000 -1.191 0.000 1.136 2460 F HN 0.294 nan 8.300 nan 0.000 0.447 2461 T N 5.135 119.734 114.554 0.074 0.000 2.874 2461 T HA 0.322 4.671 4.350 -0.001 0.000 0.321 2461 T C -2.657 172.203 174.700 0.267 0.000 1.075 2461 T CA -1.513 60.677 62.100 0.151 0.000 0.966 2461 T CB 0.809 69.737 68.868 0.101 0.000 1.001 2461 T HN 0.188 nan 8.240 nan 0.000 0.476 2462 P HA 0.371 nan 4.420 nan 0.000 0.278 2462 P C 0.224 177.739 177.300 0.359 0.000 1.238 2462 P CA -0.223 63.159 63.100 0.471 0.000 0.794 2462 P CB 0.959 33.051 31.700 0.653 0.000 0.955 2463 G N 1.312 110.313 108.800 0.334 0.000 2.462 2463 G HA2 0.319 4.279 3.960 -0.001 0.000 0.319 2463 G HA3 0.319 4.279 3.960 -0.001 0.000 0.319 2463 G C -1.022 174.029 174.900 0.252 0.000 1.171 2463 G CA -0.526 44.771 45.100 0.329 0.000 0.920 2463 G HN 0.529 nan 8.290 nan 0.000 0.499 2464 Q N 0.054 119.960 119.800 0.176 0.000 2.368 2464 Q HA 0.439 4.778 4.340 -0.001 0.000 0.256 2464 Q C 0.378 176.239 176.000 -0.231 0.000 0.980 2464 Q CA -0.603 55.223 55.803 0.039 0.000 0.887 2464 Q CB 0.972 29.763 28.738 0.088 0.000 1.221 2464 Q HN 0.578 nan 8.270 nan 0.000 0.458 2465 G N 4.468 113.091 108.800 -0.296 0.000 2.915 2465 G HA2 0.052 4.012 3.960 -0.001 0.000 0.298 2465 G HA3 0.052 4.012 3.960 -0.001 0.000 0.298 2465 G C -0.429 174.392 174.900 -0.133 0.000 0.837 2465 G CA -0.199 44.654 45.100 -0.412 0.000 1.752 2465 G HN 0.539 nan 8.290 nan 0.000 0.526 2466 N N 1.375 120.046 118.700 -0.048 0.000 2.238 2466 N HA 0.034 4.773 4.740 -0.001 0.000 0.302 2466 N C 1.013 176.625 175.510 0.169 0.000 1.072 2466 N CA -0.634 52.474 53.050 0.097 0.000 0.792 2466 N CB 1.437 40.013 38.487 0.147 0.000 1.425 2466 N HN 0.274 nan 8.380 nan 0.000 0.478 2467 N N 1.890 120.740 118.700 0.249 0.000 2.588 2467 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 2467 N C 1.340 177.040 175.510 0.317 0.000 1.094 2467 N CA 0.666 53.918 53.050 0.337 0.000 0.921 2467 N CB -0.159 38.580 38.487 0.421 0.000 0.959 2467 N HN 0.266 nan 8.380 nan 0.000 0.448 2468 V N -0.679 119.326 119.914 0.152 0.000 2.913 2468 V HA -0.138 3.981 4.120 -0.001 0.000 0.260 2468 V C 1.165 176.943 176.094 -0.527 0.000 1.098 2468 V CA 1.207 63.249 62.300 -0.431 0.000 1.121 2468 V CB -0.773 30.797 31.823 -0.423 0.000 0.714 2468 V HN 0.362 nan 8.190 nan 0.000 0.487 2469 Y N -1.102 119.061 120.300 -0.227 0.000 2.457 2469 Y HA -0.006 4.544 4.550 -0.001 0.000 0.292 2469 Y C 2.107 177.916 175.900 -0.152 0.000 1.125 2469 Y CA 0.972 58.961 58.100 -0.184 0.000 1.254 2469 Y CB 0.440 38.816 38.460 -0.140 0.000 1.012 2469 Y HN 0.248 nan 8.280 nan 0.000 0.555 2470 I N -1.556 119.035 120.570 0.035 0.000 3.136 2470 I HA -0.133 4.036 4.170 -0.001 0.000 0.262 2470 I C 2.157 178.293 176.117 0.031 0.000 1.132 2470 I CA 0.695 62.039 61.300 0.073 0.000 1.450 2470 I CB -1.436 36.692 38.000 0.214 0.000 1.315 2470 I HN 0.170 nan 8.210 nan 0.000 0.460 2471 F N 2.356 122.384 119.950 0.129 0.000 2.161 2471 F HA -0.022 4.504 4.527 -0.001 0.000 0.300 2471 F C -0.692 175.058 175.800 -0.082 0.000 1.089 2471 F CA 0.893 58.969 58.000 0.126 0.000 1.282 2471 F CB -2.865 36.334 39.000 0.331 0.000 1.010 2471 F HN 0.068 nan 8.300 nan 0.000 0.485 2472 P HA -0.056 nan 4.420 nan 0.000 0.215 2472 P C 2.053 179.191 177.300 -0.270 0.000 1.157 2472 P CA 2.387 65.238 63.100 -0.415 0.000 0.868 2472 P CB -0.466 30.950 31.700 -0.473 0.000 0.788 2473 G N -0.730 107.953 108.800 -0.196 0.000 2.421 2473 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.217 2473 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.217 2473 G C 1.591 176.422 174.900 -0.116 0.000 1.143 2473 G CA 0.390 45.413 45.100 -0.128 0.000 0.784 2473 G HN 0.150 nan 8.290 nan 0.000 0.541 2474 V N 1.446 121.284 119.914 -0.127 0.000 2.379 2474 V HA -0.070 4.049 4.120 -0.001 0.000 0.245 2474 V C 3.291 179.300 176.094 -0.142 0.000 1.044 2474 V CA 1.851 64.047 62.300 -0.173 0.000 1.036 2474 V CB -0.646 31.009 31.823 -0.280 0.000 0.664 2474 V HN 0.439 nan 8.190 nan 0.000 0.453 2475 A N -0.118 122.632 122.820 -0.117 0.000 1.933 2475 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 2475 A C 2.163 179.709 177.584 -0.063 0.000 1.175 2475 A CA 2.121 54.116 52.037 -0.070 0.000 0.628 2475 A CB -0.555 18.299 19.000 -0.243 0.000 0.814 2475 A HN 0.463 nan 8.150 nan 0.000 0.444 2476 L N -0.445 120.715 121.223 -0.105 0.000 2.093 2476 L HA -0.009 4.330 4.340 -0.001 0.000 0.208 2476 L C 2.645 179.505 176.870 -0.016 0.000 1.085 2476 L CA 2.023 56.828 54.840 -0.058 0.000 0.755 2476 L CB -0.678 41.336 42.059 -0.075 0.000 0.904 2476 L HN 0.336 nan 8.230 nan 0.000 0.435 2477 A N -1.013 121.795 122.820 -0.020 0.000 1.858 2477 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 2477 A C 2.261 179.866 177.584 0.035 0.000 1.190 2477 A CA 2.097 54.146 52.037 0.020 0.000 0.617 2477 A CB -1.201 17.797 19.000 -0.002 0.000 0.827 2477 A HN 0.270 nan 8.150 nan 0.000 0.443 2478 V N 0.330 120.248 119.914 0.006 0.000 2.332 2478 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 2478 V C 2.448 178.578 176.094 0.060 0.000 1.055 2478 V CA 2.126 64.442 62.300 0.027 0.000 1.038 2478 V CB -0.695 31.141 31.823 0.022 0.000 0.651 2478 V HN 0.566 nan 8.190 nan 0.000 0.450 2479 I N -0.624 119.983 120.570 0.062 0.000 2.179 2479 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 2479 I C 2.310 178.478 176.117 0.085 0.000 1.088 2479 I CA 1.616 62.959 61.300 0.073 0.000 1.357 2479 I CB -0.324 37.712 38.000 0.062 0.000 1.051 2479 I HN 0.255 nan 8.210 nan 0.000 0.409 2480 L N -0.254 121.021 121.223 0.086 0.000 2.141 2480 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 2480 L C 2.259 179.274 176.870 0.241 0.000 1.094 2480 L CA 0.993 55.918 54.840 0.141 0.000 0.763 2480 L CB -0.482 41.644 42.059 0.112 0.000 0.908 2480 L HN 0.417 nan 8.230 nan 0.000 0.437 2481 C N -0.337 119.059 119.300 0.161 0.000 2.626 2481 C HA 0.100 4.559 4.460 -0.001 0.000 0.266 2481 C C 1.074 176.102 174.990 0.064 0.000 1.317 2481 C CA -0.331 58.722 59.018 0.058 0.000 1.716 2481 C CB -1.811 25.876 27.740 -0.088 0.000 1.819 2481 C HN 0.622 nan 8.230 nan 0.000 0.578 2482 N N 0.577 119.351 118.700 0.123 0.000 2.738 2482 N HA -0.143 4.596 4.740 -0.001 0.000 0.249 2482 N C -0.466 175.151 175.510 0.180 0.000 1.047 2482 N CA 0.208 53.347 53.050 0.148 0.000 0.707 2482 N CB -0.787 37.818 38.487 0.196 0.000 0.937 2482 N HN 0.459 nan 8.380 nan 0.000 0.545 2483 T N -0.223 114.409 114.554 0.129 0.000 2.907 2483 T HA 0.172 4.521 4.350 -0.001 0.000 0.298 2483 T C 1.515 176.247 174.700 0.054 0.000 1.017 2483 T CA -0.066 62.124 62.100 0.150 0.000 1.118 2483 T CB 1.326 70.245 68.868 0.085 0.000 0.948 2483 T HN 0.210 nan 8.240 nan 0.000 0.531 2484 R N 0.797 121.296 120.500 -0.002 0.000 2.175 2484 R HA 0.153 4.492 4.340 -0.001 0.000 0.202 2484 R C 0.001 175.976 176.300 -0.541 0.000 1.018 2484 R CA 0.560 56.484 56.100 -0.295 0.000 1.029 2484 R CB 0.272 30.327 30.300 -0.408 0.000 0.959 2484 R HN 0.663 nan 8.270 nan 0.000 0.480 2485 H N -1.257 117.880 119.070 0.112 0.000 3.012 2485 H HA 0.393 4.949 4.556 -0.001 0.000 0.367 2485 H C -1.200 174.212 175.328 0.139 0.000 1.211 2485 H CA -0.694 55.434 56.048 0.133 0.000 1.139 2485 H CB 2.142 31.972 29.762 0.113 0.000 1.838 2485 H HN -0.125 nan 8.280 nan 0.000 0.550 2486 I N 2.325 123.070 120.570 0.291 0.000 2.359 2486 I HA 0.232 4.401 4.170 -0.001 0.000 0.284 2486 I C 0.206 176.480 176.117 0.260 0.000 1.018 2486 I CA -0.495 60.932 61.300 0.212 0.000 1.173 2486 I CB 1.038 39.159 38.000 0.202 0.000 1.326 2486 I HN 0.566 nan 8.210 nan 0.000 0.462 2487 S N 3.042 118.865 115.700 0.205 0.000 2.632 2487 S HA 0.217 4.686 4.470 -0.001 0.000 0.267 2487 S C 0.726 175.499 174.600 0.287 0.000 1.276 2487 S CA -0.523 57.811 58.200 0.225 0.000 0.998 2487 S CB 1.437 64.746 63.200 0.182 0.000 0.953 2487 S HN 0.539 nan 8.310 nan 0.000 0.547 2488 D N 1.336 121.914 120.400 0.295 0.000 2.144 2488 D HA -0.086 4.553 4.640 -0.001 0.000 0.199 2488 D C 2.167 178.642 176.300 0.292 0.000 0.984 2488 D CA 1.807 56.022 54.000 0.358 0.000 0.834 2488 D CB -0.637 40.304 40.800 0.235 0.000 0.955 2488 D HN 0.724 nan 8.370 nan 0.000 0.465 2489 S N -0.228 115.592 115.700 0.200 0.000 2.500 2489 S HA -0.088 4.381 4.470 -0.001 0.000 0.239 2489 S C 1.997 176.592 174.600 -0.008 0.000 0.989 2489 S CA 0.457 58.739 58.200 0.136 0.000 0.951 2489 S CB -0.298 63.032 63.200 0.217 0.000 0.759 2489 S HN 0.060 nan 8.310 nan 0.000 0.523 2490 V N 0.348 120.261 119.914 -0.001 0.000 2.719 2490 V HA 0.038 4.157 4.120 -0.001 0.000 0.252 2490 V C 1.857 177.712 176.094 -0.398 0.000 1.065 2490 V CA 1.400 63.557 62.300 -0.237 0.000 1.086 2490 V CB -0.826 30.818 31.823 -0.298 0.000 0.700 2490 V HN 0.542 nan 8.190 nan 0.000 0.467 2491 F N -1.351 118.562 119.950 -0.063 0.000 2.387 2491 F HA 0.067 4.594 4.527 -0.001 0.000 0.294 2491 F C 2.072 177.841 175.800 -0.050 0.000 1.093 2491 F CA 0.775 58.744 58.000 -0.051 0.000 1.420 2491 F CB -0.194 38.804 39.000 -0.004 0.000 1.086 2491 F HN 0.005 nan 8.300 nan 0.000 0.531 2492 L N 0.283 121.566 121.223 0.100 0.000 2.046 2492 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 2492 L C 2.404 179.233 176.870 -0.068 0.000 1.077 2492 L CA 1.807 56.668 54.840 0.034 0.000 0.747 2492 L CB -0.263 41.811 42.059 0.026 0.000 0.896 2492 L HN 0.159 nan 8.230 nan 0.000 0.432 2493 E N -0.006 120.061 120.200 -0.221 0.000 2.106 2493 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 2493 E C 2.018 178.514 176.600 -0.174 0.000 0.984 2493 E CA 1.421 57.633 56.400 -0.314 0.000 0.806 2493 E CB -0.056 29.217 29.700 -0.712 0.000 0.750 2493 E HN 0.482 nan 8.360 nan 0.000 0.458 2494 A N 0.689 123.425 122.820 -0.139 0.000 1.933 2494 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 2494 A C 2.405 179.990 177.584 0.001 0.000 1.175 2494 A CA 1.813 53.810 52.037 -0.067 0.000 0.628 2494 A CB -0.927 18.038 19.000 -0.058 0.000 0.814 2494 A HN 0.376 nan 8.150 nan 0.000 0.444 2495 A N 0.072 122.911 122.820 0.032 0.000 1.883 2495 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 2495 A C 2.118 179.717 177.584 0.027 0.000 1.186 2495 A CA 1.923 53.996 52.037 0.061 0.000 0.624 2495 A CB -0.467 18.580 19.000 0.079 0.000 0.822 2495 A HN 0.544 nan 8.150 nan 0.000 0.444 2496 K N -0.386 120.012 120.400 -0.002 0.000 2.057 2496 K HA -0.021 4.298 4.320 -0.001 0.000 0.207 2496 K C 2.220 178.814 176.600 -0.011 0.000 1.049 2496 K CA 1.091 57.372 56.287 -0.010 0.000 0.931 2496 K CB -0.312 32.173 32.500 -0.025 0.000 0.714 2496 K HN 0.438 nan 8.250 nan 0.000 0.440 2497 A N 1.077 123.886 122.820 -0.019 0.000 2.015 2497 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 2497 A C 2.039 179.624 177.584 0.001 0.000 1.163 2497 A CA 1.040 53.069 52.037 -0.012 0.000 0.646 2497 A CB -0.305 18.681 19.000 -0.023 0.000 0.806 2497 A HN 0.256 nan 8.150 nan 0.000 0.448 2498 L N -1.556 119.673 121.223 0.010 0.000 2.102 2498 L HA 0.037 4.376 4.340 -0.001 0.000 0.202 2498 L C 2.396 179.265 176.870 -0.002 0.000 1.076 2498 L CA 2.527 57.377 54.840 0.016 0.000 0.761 2498 L CB -0.819 41.264 42.059 0.040 0.000 0.921 2498 L HN 0.255 nan 8.230 nan 0.000 0.444 2499 T N -1.108 113.441 114.554 -0.009 0.000 2.915 2499 T HA -0.097 4.252 4.350 -0.001 0.000 0.269 2499 T C 1.721 176.406 174.700 -0.025 0.000 1.071 2499 T CA 1.297 63.376 62.100 -0.036 0.000 1.132 2499 T CB -0.328 68.516 68.868 -0.040 0.000 0.878 2499 T HN 0.660 nan 8.240 nan 0.000 0.479 2500 S N 0.786 116.480 115.700 -0.011 0.000 2.603 2500 S HA 0.050 4.519 4.470 -0.001 0.000 0.229 2500 S C 1.642 176.241 174.600 -0.001 0.000 0.972 2500 S CA 0.190 58.387 58.200 -0.005 0.000 0.935 2500 S CB -0.222 62.978 63.200 -0.000 0.000 0.769 2500 S HN 0.629 nan 8.310 nan 0.000 0.536 2501 Q N 0.079 119.877 119.800 -0.002 0.000 2.384 2501 Q HA 0.330 4.669 4.340 -0.001 0.000 0.207 2501 Q C 0.320 176.323 176.000 0.005 0.000 0.904 2501 Q CA -0.116 55.691 55.803 0.006 0.000 0.933 2501 Q CB 0.205 28.952 28.738 0.014 0.000 1.077 2501 Q HN 0.490 nan 8.270 nan 0.000 0.522 2502 L N 3.217 124.435 121.223 -0.008 0.000 2.455 2502 L HA 0.080 4.419 4.340 -0.001 0.000 0.272 2502 L C 0.371 177.241 176.870 0.001 0.000 1.174 2502 L CA 0.199 55.034 54.840 -0.008 0.000 0.869 2502 L CB 0.762 42.800 42.059 -0.035 0.000 1.130 2502 L HN 0.163 nan 8.230 nan 0.000 0.474 2503 T N -0.387 114.172 114.554 0.010 0.000 2.918 2503 T HA 0.172 4.521 4.350 -0.001 0.000 0.283 2503 T C 0.862 175.569 174.700 0.012 0.000 1.001 2503 T CA -0.901 61.205 62.100 0.011 0.000 1.041 2503 T CB 1.381 70.257 68.868 0.014 0.000 1.028 2503 T HN 0.557 nan 8.240 nan 0.000 0.511 2504 D N 1.196 121.603 120.400 0.011 0.000 2.123 2504 D HA -0.129 4.510 4.640 -0.001 0.000 0.196 2504 D C 1.751 178.061 176.300 0.016 0.000 0.992 2504 D CA 1.480 55.488 54.000 0.013 0.000 0.833 2504 D CB 0.036 40.843 40.800 0.011 0.000 0.954 2504 D HN 0.723 nan 8.370 nan 0.000 0.455 2505 E N 1.327 121.535 120.200 0.014 0.000 2.049 2505 E HA -0.196 4.154 4.350 -0.001 0.000 0.198 2505 E C 2.083 178.695 176.600 0.020 0.000 1.007 2505 E CA 1.139 57.547 56.400 0.013 0.000 0.809 2505 E CB -0.226 29.480 29.700 0.010 0.000 0.749 2505 E HN 0.381 nan 8.360 nan 0.000 0.450 2506 E N 0.476 120.692 120.200 0.026 0.000 2.077 2506 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 2506 E C 2.126 178.755 176.600 0.047 0.000 0.989 2506 E CA 0.672 57.096 56.400 0.039 0.000 0.800 2506 E CB -0.163 29.563 29.700 0.043 0.000 0.746 2506 E HN 0.171 nan 8.360 nan 0.000 0.452 2507 L N 0.514 121.760 121.223 0.037 0.000 2.042 2507 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 2507 L C 2.395 179.302 176.870 0.063 0.000 1.076 2507 L CA 1.376 56.242 54.840 0.045 0.000 0.749 2507 L CB -0.409 41.668 42.059 0.029 0.000 0.893 2507 L HN 0.195 nan 8.230 nan 0.000 0.432 2508 A N -0.448 122.399 122.820 0.045 0.000 1.908 2508 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 2508 A C 1.988 179.596 177.584 0.039 0.000 1.181 2508 A CA 1.817 53.878 52.037 0.040 0.000 0.627 2508 A CB -0.505 18.505 19.000 0.016 0.000 0.818 2508 A HN 0.661 nan 8.150 nan 0.000 0.445 2509 Q N -1.904 117.916 119.800 0.034 0.000 2.364 2509 Q HA 0.188 4.527 4.340 -0.001 0.000 0.207 2509 Q C 1.262 177.317 176.000 0.092 0.000 0.970 2509 Q CA 0.680 56.493 55.803 0.017 0.000 0.888 2509 Q CB -0.081 28.670 28.738 0.022 0.000 0.951 2509 Q HN 0.936 nan 8.270 nan 0.000 0.469 2510 G N 0.908 109.800 108.800 0.154 0.000 2.205 2510 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.180 2510 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.180 2510 G C -0.205 174.837 174.900 0.238 0.000 1.004 2510 G CA -0.677 44.576 45.100 0.255 0.000 0.670 2510 G HN 0.130 nan 8.290 nan 0.000 0.496 2511 R N 0.201 120.801 120.500 0.166 0.000 2.347 2511 R HA 0.533 4.873 4.340 -0.001 0.000 0.304 2511 R C 1.083 177.426 176.300 0.070 0.000 1.072 2511 R CA -0.270 55.920 56.100 0.150 0.000 0.980 2511 R CB 0.631 31.008 30.300 0.128 0.000 0.986 2511 R HN 0.230 nan 8.270 nan 0.000 0.448 2512 L N 3.333 124.564 121.223 0.014 0.000 2.628 2512 L HA 0.224 4.563 4.340 -0.001 0.000 0.229 2512 L C -0.561 175.942 176.870 -0.611 0.000 1.137 2512 L CA 0.157 54.852 54.840 -0.242 0.000 0.909 2512 L CB 0.058 41.952 42.059 -0.275 0.000 1.137 2512 L HN 0.593 nan 8.230 nan 0.000 0.470 2513 Y N -1.849 118.415 120.300 -0.061 0.000 2.597 2513 Y HA 0.422 4.971 4.550 -0.001 0.000 0.340 2513 Y C -2.420 173.411 175.900 -0.114 0.000 1.097 2513 Y CA -2.620 55.364 58.100 -0.195 0.000 1.037 2513 Y CB 1.061 39.270 38.460 -0.418 0.000 1.305 2513 Y HN -0.214 nan 8.280 nan 0.000 0.463 2514 P HA 0.126 nan 4.420 nan 0.000 0.270 2514 P C -2.651 174.760 177.300 0.184 0.000 1.223 2514 P CA -1.158 61.993 63.100 0.085 0.000 0.785 2514 P CB -0.070 31.676 31.700 0.077 0.000 0.923 2515 P HA -0.005 nan 4.420 nan 0.000 0.265 2515 P C 0.794 178.212 177.300 0.196 0.000 1.193 2515 P CA -0.059 63.142 63.100 0.167 0.000 0.765 2515 P CB 0.253 32.016 31.700 0.104 0.000 0.823 2516 L N 4.513 125.849 121.223 0.188 0.000 2.127 2516 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 2516 L C 2.121 179.001 176.870 0.016 0.000 1.089 2516 L CA 2.024 56.909 54.840 0.075 0.000 0.757 2516 L CB -1.488 40.584 42.059 0.021 0.000 0.899 2516 L HN 0.446 nan 8.230 nan 0.000 0.434 2517 A N -0.765 122.078 122.820 0.039 0.000 2.125 2517 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 2517 A C 1.642 179.233 177.584 0.011 0.000 1.156 2517 A CA 1.829 53.876 52.037 0.017 0.000 0.671 2517 A CB -0.839 18.175 19.000 0.025 0.000 0.794 2517 A HN 0.709 nan 8.150 nan 0.000 0.459 2518 N N -1.068 117.653 118.700 0.034 0.000 2.214 2518 N HA 0.249 4.988 4.740 -0.001 0.000 0.214 2518 N C 1.010 176.536 175.510 0.028 0.000 1.132 2518 N CA -0.031 53.037 53.050 0.030 0.000 0.856 2518 N CB 0.080 38.594 38.487 0.045 0.000 1.020 2518 N HN 0.456 nan 8.380 nan 0.000 0.509 2519 I N 0.834 121.407 120.570 0.004 0.000 2.381 2519 I HA -0.405 3.765 4.170 -0.001 0.000 0.255 2519 I C 1.661 177.746 176.117 -0.053 0.000 1.140 2519 I CA 1.621 62.898 61.300 -0.039 0.000 1.404 2519 I CB 0.238 38.123 38.000 -0.192 0.000 1.075 2519 I HN 0.196 nan 8.210 nan 0.000 0.433 2520 Q N 0.676 120.447 119.800 -0.048 0.000 2.016 2520 Q HA -0.250 4.089 4.340 -0.001 0.000 0.200 2520 Q C 2.077 178.058 176.000 -0.033 0.000 0.978 2520 Q CA 2.176 57.949 55.803 -0.050 0.000 0.833 2520 Q CB -0.405 28.306 28.738 -0.044 0.000 0.895 2520 Q HN 0.735 nan 8.270 nan 0.000 0.427 2521 E N 0.139 120.329 120.200 -0.016 0.000 2.150 2521 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 2521 E C 1.863 178.465 176.600 0.003 0.000 0.985 2521 E CA 1.295 57.690 56.400 -0.008 0.000 0.814 2521 E CB -0.265 29.433 29.700 -0.002 0.000 0.752 2521 E HN 0.115 nan 8.360 nan 0.000 0.466 2522 V N 1.422 121.350 119.914 0.022 0.000 2.407 2522 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 2522 V C 2.377 178.485 176.094 0.024 0.000 1.055 2522 V CA 1.991 64.318 62.300 0.045 0.000 1.049 2522 V CB -0.367 31.523 31.823 0.112 0.000 0.662 2522 V HN 0.320 nan 8.190 nan 0.000 0.455 2523 S N -0.030 115.667 115.700 -0.005 0.000 2.345 2523 S HA -0.089 4.380 4.470 -0.001 0.000 0.220 2523 S C 1.954 176.530 174.600 -0.040 0.000 1.031 2523 S CA 1.259 59.433 58.200 -0.043 0.000 0.996 2523 S CB -0.271 62.873 63.200 -0.093 0.000 0.882 2523 S HN 0.380 nan 8.310 nan 0.000 0.445 2524 I N 2.886 123.434 120.570 -0.035 0.000 2.248 2524 I HA -0.172 3.997 4.170 -0.001 0.000 0.248 2524 I C 1.850 177.959 176.117 -0.014 0.000 1.107 2524 I CA 1.275 62.557 61.300 -0.029 0.000 1.373 2524 I CB -1.570 36.414 38.000 -0.027 0.000 1.055 2524 I HN 0.259 nan 8.210 nan 0.000 0.418 2525 N N 0.887 119.584 118.700 -0.006 0.000 2.188 2525 N HA -0.065 4.674 4.740 -0.001 0.000 0.184 2525 N C 1.982 177.493 175.510 0.003 0.000 1.018 2525 N CA 1.011 54.063 53.050 0.003 0.000 0.858 2525 N CB -0.196 38.295 38.487 0.008 0.000 0.989 2525 N HN 0.359 nan 8.380 nan 0.000 0.426 2526 I N 0.842 121.409 120.570 -0.005 0.000 2.315 2526 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 2526 I C 2.230 178.336 176.117 -0.019 0.000 1.117 2526 I CA 0.757 62.049 61.300 -0.013 0.000 1.404 2526 I CB -0.221 37.769 38.000 -0.018 0.000 1.071 2526 I HN 0.051 nan 8.210 nan 0.000 0.419 2527 A N 1.201 124.008 122.820 -0.021 0.000 1.865 2527 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 2527 A C 2.284 179.883 177.584 0.026 0.000 1.191 2527 A CA 1.644 53.674 52.037 -0.013 0.000 0.623 2527 A CB -0.896 18.091 19.000 -0.022 0.000 0.826 2527 A HN 0.351 nan 8.150 nan 0.000 0.444 2528 I N -0.320 120.269 120.570 0.032 0.000 2.163 2528 I HA -0.300 3.870 4.170 -0.001 0.000 0.243 2528 I C 2.420 178.576 176.117 0.065 0.000 1.085 2528 I CA 1.534 62.870 61.300 0.059 0.000 1.347 2528 I CB -0.203 37.823 38.000 0.044 0.000 1.044 2528 I HN 0.204 nan 8.210 nan 0.000 0.408 2529 K N 0.315 120.740 120.400 0.042 0.000 2.057 2529 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 2529 K C 2.135 178.777 176.600 0.069 0.000 1.049 2529 K CA 1.186 57.500 56.287 0.046 0.000 0.931 2529 K CB -0.622 31.887 32.500 0.016 0.000 0.714 2529 K HN 0.237 nan 8.250 nan 0.000 0.440 2530 V N 1.624 121.561 119.914 0.039 0.000 2.427 2530 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 2530 V C 2.735 178.902 176.094 0.122 0.000 1.051 2530 V CA 2.282 64.610 62.300 0.046 0.000 1.048 2530 V CB -0.942 30.858 31.823 -0.038 0.000 0.666 2530 V HN 0.534 nan 8.190 nan 0.000 0.456 2531 T N -1.721 112.909 114.554 0.126 0.000 2.915 2531 T HA -0.184 4.165 4.350 -0.001 0.000 0.269 2531 T C 1.626 176.475 174.700 0.248 0.000 1.071 2531 T CA 1.695 63.910 62.100 0.191 0.000 1.132 2531 T CB -0.268 68.752 68.868 0.253 0.000 0.878 2531 T HN 0.584 nan 8.240 nan 0.000 0.479 2532 E N -0.714 119.599 120.200 0.188 0.000 2.152 2532 E HA -0.036 4.314 4.350 -0.001 0.000 0.192 2532 E C 1.734 178.439 176.600 0.174 0.000 0.983 2532 E CA 0.946 57.441 56.400 0.158 0.000 0.818 2532 E CB -0.219 29.546 29.700 0.108 0.000 0.758 2532 E HN 0.685 nan 8.360 nan 0.000 0.467 2533 Y N 1.082 121.411 120.300 0.048 0.000 2.184 2533 Y HA -0.144 4.405 4.550 -0.001 0.000 0.290 2533 Y C 1.843 177.752 175.900 0.015 0.000 1.129 2533 Y CA 1.224 59.338 58.100 0.023 0.000 1.144 2533 Y CB -0.069 38.391 38.460 -0.000 0.000 0.995 2533 Y HN -0.066 nan 8.280 nan 0.000 0.513 2534 L N -1.380 119.889 121.223 0.078 0.000 2.017 2534 L HA -0.278 4.062 4.340 -0.001 0.000 0.208 2534 L C 2.177 178.950 176.870 -0.162 0.000 1.073 2534 L CA 1.774 56.571 54.840 -0.072 0.000 0.745 2534 L CB -0.979 41.044 42.059 -0.059 0.000 0.894 2534 L HN 0.200 nan 8.230 nan 0.000 0.432 2535 Y N -0.277 119.962 120.300 -0.101 0.000 2.224 2535 Y HA -0.256 4.293 4.550 -0.001 0.000 0.289 2535 Y C 2.579 178.387 175.900 -0.155 0.000 1.146 2535 Y CA 1.068 59.087 58.100 -0.135 0.000 1.182 2535 Y CB -0.257 38.141 38.460 -0.103 0.000 0.983 2535 Y HN 0.163 nan 8.280 nan 0.000 0.524 2536 A N -0.198 122.623 122.820 0.001 0.000 2.014 2536 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 2536 A C 1.484 178.971 177.584 -0.162 0.000 1.163 2536 A CA 1.409 53.400 52.037 -0.076 0.000 0.652 2536 A CB -0.323 18.627 19.000 -0.083 0.000 0.808 2536 A HN 0.441 nan 8.150 nan 0.000 0.449 2537 N N -0.221 118.323 118.700 -0.260 0.000 2.273 2537 N HA 0.172 4.911 4.740 -0.001 0.000 0.231 2537 N C -0.624 174.775 175.510 -0.186 0.000 1.134 2537 N CA 0.002 52.896 53.050 -0.260 0.000 0.856 2537 N CB 0.449 38.677 38.487 -0.431 0.000 1.068 2537 N HN 0.218 nan 8.380 nan 0.000 0.510 2541 F N 0.323 120.156 119.950 -0.195 0.000 2.856 2541 F HA 0.308 4.834 4.527 -0.001 0.000 0.338 2541 F C 1.116 176.967 175.800 0.084 0.000 1.100 2541 F CA -0.274 57.703 58.000 -0.038 0.000 1.150 2541 F CB 0.626 39.617 39.000 -0.016 0.000 1.101 2541 F HN 0.560 nan 8.300 nan 0.000 0.548 2542 R N 2.331 122.944 120.500 0.188 0.000 2.489 2542 R HA 0.115 4.455 4.340 -0.001 0.000 0.287 2542 R C -1.198 175.311 176.300 0.349 0.000 1.053 2542 R CA 0.274 56.539 56.100 0.276 0.000 1.036 2542 R CB -0.015 30.443 30.300 0.263 0.000 0.966 2542 R HN 0.390 nan 8.270 nan 0.000 0.432 2543 Y N 3.088 123.471 120.300 0.139 0.000 2.553 2543 Y HA 0.680 5.229 4.550 -0.001 0.000 0.347 2543 Y C -2.491 173.450 175.900 0.068 0.000 1.019 2543 Y CA -2.261 55.898 58.100 0.099 0.000 1.032 2543 Y CB 1.162 39.674 38.460 0.087 0.000 1.284 2543 Y HN 0.498 nan 8.280 nan 0.000 0.466 2544 P HA 0.146 nan 4.420 nan 0.000 0.276 2544 P C -1.173 176.115 177.300 -0.021 0.000 1.252 2544 P CA -0.528 62.617 63.100 0.075 0.000 0.802 2544 P CB 1.180 32.894 31.700 0.023 0.000 1.035 2545 E N 2.167 122.339 120.200 -0.047 0.000 2.366 2545 E HA 0.102 4.452 4.350 -0.001 0.000 0.266 2545 E C -1.763 174.578 176.600 -0.432 0.000 1.015 2545 E CA -1.495 54.705 56.400 -0.333 0.000 0.906 2545 E CB -0.012 29.484 29.700 -0.341 0.000 0.979 2545 E HN 0.251 nan 8.360 nan 0.000 0.443 2546 P HA 0.019 nan 4.420 nan 0.000 0.275 2546 P C -0.061 177.022 177.300 -0.362 0.000 1.227 2546 P CA -0.063 62.741 63.100 -0.494 0.000 0.781 2546 P CB 1.405 32.648 31.700 -0.762 0.000 0.906 2547 E N 0.972 121.045 120.200 -0.212 0.000 2.016 2547 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 2547 E C 0.077 176.604 176.600 -0.121 0.000 0.985 2547 E CA 1.291 57.601 56.400 -0.149 0.000 0.802 2547 E CB -0.078 29.567 29.700 -0.092 0.000 0.762 2547 E HN 0.503 nan 8.360 nan 0.000 0.448 2548 D N 0.754 121.106 120.400 -0.080 0.000 2.494 2548 D HA 0.044 4.683 4.640 -0.001 0.000 0.217 2548 D C 0.570 176.870 176.300 0.000 0.000 1.153 2548 D CA -0.058 53.922 54.000 -0.033 0.000 0.954 2548 D CB 0.527 41.323 40.800 -0.006 0.000 1.034 2548 D HN -0.194 nan 8.370 nan 0.000 0.518 2549 K N 1.831 122.220 120.400 -0.018 0.000 2.044 2549 K HA -0.140 4.179 4.320 -0.001 0.000 0.210 2549 K C 1.800 178.474 176.600 0.122 0.000 1.049 2549 K CA 1.470 57.787 56.287 0.049 0.000 0.927 2549 K CB -0.383 32.135 32.500 0.029 0.000 0.713 2549 K HN 0.402 nan 8.250 nan 0.000 0.443 2550 A N 0.809 123.669 122.820 0.067 0.000 1.902 2550 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 2550 A C 2.128 179.745 177.584 0.055 0.000 1.181 2550 A CA 1.677 53.747 52.037 0.055 0.000 0.623 2550 A CB -0.385 18.632 19.000 0.029 0.000 0.818 2550 A HN 0.213 nan 8.150 nan 0.000 0.443 2551 K N -1.726 118.709 120.400 0.058 0.000 2.211 2551 K HA -0.152 4.167 4.320 -0.001 0.000 0.203 2551 K C 1.824 178.472 176.600 0.081 0.000 1.050 2551 K CA 1.374 57.691 56.287 0.049 0.000 0.945 2551 K CB -0.279 32.245 32.500 0.039 0.000 0.732 2551 K HN 0.593 nan 8.250 nan 0.000 0.451 2552 Y N 1.168 121.457 120.300 -0.017 0.000 2.163 2552 Y HA -0.210 4.339 4.550 -0.001 0.000 0.288 2552 Y C 1.915 177.816 175.900 0.002 0.000 1.136 2552 Y CA 1.261 59.355 58.100 -0.010 0.000 1.147 2552 Y CB -0.427 38.025 38.460 -0.013 0.000 0.987 2552 Y HN -0.225 nan 8.280 nan 0.000 0.509 2553 V N 0.639 120.528 119.914 -0.042 0.000 2.244 2553 V HA -0.305 3.815 4.120 -0.001 0.000 0.244 2553 V C 2.263 178.285 176.094 -0.120 0.000 1.042 2553 V CA 2.436 64.657 62.300 -0.133 0.000 1.006 2553 V CB -0.706 31.112 31.823 -0.007 0.000 0.641 2553 V HN 0.241 nan 8.190 nan 0.000 0.446 2554 K N -0.158 120.208 120.400 -0.057 0.000 2.160 2554 K HA -0.243 4.077 4.320 -0.001 0.000 0.206 2554 K C 2.154 178.712 176.600 -0.069 0.000 1.047 2554 K CA 1.688 57.943 56.287 -0.053 0.000 0.930 2554 K CB -0.196 32.286 32.500 -0.030 0.000 0.720 2554 K HN 0.507 nan 8.250 nan 0.000 0.450 2555 E N 0.443 120.595 120.200 -0.080 0.000 2.268 2555 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 2555 E C 0.444 176.979 176.600 -0.108 0.000 0.995 2555 E CA 0.629 56.981 56.400 -0.081 0.000 0.836 2555 E CB 0.295 29.959 29.700 -0.059 0.000 0.763 2555 E HN 0.238 nan 8.360 nan 0.000 0.491 2556 R N 0.704 121.111 120.500 -0.154 0.000 2.700 2556 R HA 0.113 4.453 4.340 -0.001 0.000 0.377 2556 R C -0.097 176.154 176.300 -0.082 0.000 1.130 2556 R CA -0.006 56.010 56.100 -0.140 0.000 1.055 2556 R CB 0.720 30.878 30.300 -0.237 0.000 1.387 2556 R HN -0.012 nan 8.270 nan 0.000 0.580 2557 T N -2.456 112.061 114.554 -0.061 0.000 2.882 2557 T HA 0.231 4.581 4.350 -0.001 0.000 0.287 2557 T C -0.354 174.360 174.700 0.024 0.000 0.992 2557 T CA -0.773 61.318 62.100 -0.015 0.000 1.076 2557 T CB 1.677 70.524 68.868 -0.034 0.000 0.961 2557 T HN 0.315 nan 8.240 nan 0.000 0.490 2558 W N 2.933 124.167 121.300 -0.110 0.000 2.238 2558 W HA 0.549 5.208 4.660 -0.001 0.000 0.321 2558 W C -0.216 176.232 176.519 -0.119 0.000 1.293 2558 W CA -0.658 56.620 57.345 -0.113 0.000 1.204 2558 W CB 0.573 29.952 29.460 -0.136 0.000 1.167 2558 W HN 0.522 nan 8.180 nan 0.000 0.553 2559 R N 2.416 122.378 120.500 -0.896 0.000 2.589 2559 R HA 0.203 4.542 4.340 -0.001 0.000 0.293 2559 R C 1.126 176.593 176.300 -1.387 0.000 0.963 2559 R CA -0.339 55.263 56.100 -0.830 0.000 0.905 2559 R CB 1.558 31.558 30.300 -0.499 0.000 1.144 2559 R HN 0.534 nan 8.270 nan 0.000 0.459 2560 S N 0.860 116.034 115.700 -0.876 0.000 2.607 2560 S HA 0.000 4.470 4.470 -0.001 0.000 0.224 2560 S C 0.044 174.327 174.600 -0.528 0.000 0.969 2560 S CA -0.130 57.658 58.200 -0.687 0.000 0.927 2560 S CB -0.185 62.869 63.200 -0.242 0.000 0.772 2560 S HN 0.492 nan 8.310 nan 0.000 0.533 2561 E N 1.285 121.192 120.200 -0.488 0.000 2.366 2561 E HA 0.177 4.526 4.350 -0.001 0.000 0.266 2561 E C -0.632 175.788 176.600 -0.299 0.000 1.051 2561 E CA -0.663 55.511 56.400 -0.378 0.000 0.884 2561 E CB 0.217 29.766 29.700 -0.253 0.000 1.006 2561 E HN 0.531 nan 8.360 nan 0.000 0.417 2562 Y N 0.867 121.085 120.300 -0.137 0.000 2.480 2562 Y HA 0.005 4.554 4.550 -0.001 0.000 0.338 2562 Y C 0.388 176.231 175.900 -0.095 0.000 1.220 2562 Y CA 0.048 58.082 58.100 -0.110 0.000 1.430 2562 Y CB 0.664 39.060 38.460 -0.106 0.000 1.311 2562 Y HN 0.390 nan 8.280 nan 0.000 0.575 2563 D N -0.197 120.279 120.400 0.126 0.000 2.272 2563 D HA 0.249 4.888 4.640 -0.001 0.000 0.247 2563 D C -0.897 175.436 176.300 0.056 0.000 0.990 2563 D CA -0.846 53.187 54.000 0.056 0.000 0.931 2563 D CB 1.389 42.217 40.800 0.046 0.000 1.195 2563 D HN 0.308 nan 8.370 nan 0.000 0.477 2564 S N 0.468 116.194 115.700 0.042 0.000 2.528 2564 S HA 0.166 4.636 4.470 -0.001 0.000 0.277 2564 S C 0.477 175.110 174.600 0.055 0.000 1.297 2564 S CA -0.546 57.680 58.200 0.044 0.000 1.052 2564 S CB 0.138 63.360 63.200 0.036 0.000 0.917 2564 S HN 0.461 nan 8.310 nan 0.000 0.492 2565 L N 4.566 125.831 121.223 0.071 0.000 2.667 2565 L HA 0.327 4.666 4.340 -0.001 0.000 0.232 2565 L C 0.015 176.924 176.870 0.064 0.000 1.138 2565 L CA -0.106 54.785 54.840 0.084 0.000 0.921 2565 L CB -0.059 42.083 42.059 0.139 0.000 1.180 2565 L HN 0.530 nan 8.230 nan 0.000 0.487 2566 L N 1.720 122.975 121.223 0.053 0.000 2.439 2566 L HA 0.206 4.546 4.340 -0.001 0.000 0.269 2566 L C -1.531 175.362 176.870 0.039 0.000 1.179 2566 L CA -1.505 53.358 54.840 0.039 0.000 0.828 2566 L CB 0.160 42.241 42.059 0.036 0.000 1.106 2566 L HN -0.040 nan 8.230 nan 0.000 0.467 2567 P HA 0.054 nan 4.420 nan 0.000 0.277 2567 P C -1.043 176.289 177.300 0.054 0.000 1.240 2567 P CA -0.510 62.610 63.100 0.034 0.000 0.798 2567 P CB 0.686 32.392 31.700 0.010 0.000 0.979 2568 D N 1.438 121.890 120.400 0.087 0.000 2.416 2568 D HA 0.146 4.785 4.640 -0.001 0.000 0.240 2568 D C -0.521 175.902 176.300 0.206 0.000 1.250 2568 D CA 0.072 54.169 54.000 0.162 0.000 0.967 2568 D CB -0.164 40.756 40.800 0.200 0.000 1.059 2568 D HN -0.048 nan 8.370 nan 0.000 0.512 2569 V N 5.520 125.518 119.914 0.141 0.000 2.472 2569 V HA 0.514 4.634 4.120 -0.001 0.000 0.290 2569 V C -0.376 175.814 176.094 0.159 0.000 1.037 2569 V CA -0.570 61.744 62.300 0.024 0.000 0.908 2569 V CB 0.834 32.641 31.823 -0.026 0.000 0.985 2569 V HN 0.408 nan 8.190 nan 0.000 0.454 2570 Y N 0.872 121.153 120.300 -0.032 0.000 2.565 2570 Y HA 0.680 5.230 4.550 -0.001 0.000 0.330 2570 Y C -0.730 175.171 175.900 0.001 0.000 1.150 2570 Y CA -1.369 56.733 58.100 0.005 0.000 1.055 2570 Y CB 1.102 39.589 38.460 0.045 0.000 1.337 2570 Y HN 0.592 nan 8.280 nan 0.000 0.457 2571 E N 1.741 122.043 120.200 0.170 0.000 2.366 2571 E HA 0.258 4.607 4.350 -0.001 0.000 0.266 2571 E C -1.475 175.335 176.600 0.350 0.000 1.051 2571 E CA -0.293 56.187 56.400 0.134 0.000 0.884 2571 E CB 0.612 30.383 29.700 0.118 0.000 1.006 2571 E HN 0.572 nan 8.360 nan 0.000 0.417 2572 W N 4.828 126.158 121.300 0.049 0.000 2.417 2572 W HA 0.332 4.991 4.660 -0.001 0.000 0.317 2572 W C -1.577 174.972 176.519 0.051 0.000 1.121 2572 W CA -2.541 54.846 57.345 0.069 0.000 1.208 2572 W CB 0.265 29.742 29.460 0.028 0.000 1.253 2572 W HN 0.581 nan 8.180 nan 0.000 0.533 2573 P HA 0.000 nan 4.420 nan 0.000 0.216 2573 P CA 0.000 63.151 63.100 0.085 0.000 0.800 2573 P CB 0.000 31.713 31.700 0.021 0.000 0.726