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 1pj2_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 0.000 176.136 176.117 0.032 0.000 1.063 2021 I CA 0.000 61.328 61.300 0.046 0.000 1.566 2021 I CB 0.000 38.032 38.000 0.054 0.000 1.214 2022 K N 1.597 122.012 120.400 0.024 0.000 2.141 2022 K HA 0.278 4.597 4.320 -0.001 0.000 0.202 2022 K C -0.085 176.519 176.600 0.005 0.000 1.045 2022 K CA 0.848 57.143 56.287 0.014 0.000 0.971 2022 K CB -0.108 32.398 32.500 0.011 0.000 0.795 2022 K HN 0.590 nan 8.250 nan 0.000 0.459 2023 E N 1.496 121.698 120.200 0.003 0.000 2.280 2023 E HA 0.222 4.571 4.350 -0.001 0.000 0.264 2023 E C -0.328 176.264 176.600 -0.013 0.000 1.064 2023 E CA -0.473 55.923 56.400 -0.007 0.000 0.900 2023 E CB 1.396 31.090 29.700 -0.010 0.000 1.123 2023 E HN 0.092 nan 8.360 nan 0.000 0.418 2024 K N -0.819 119.563 120.400 -0.029 0.000 2.409 2024 K HA 0.756 5.075 4.320 -0.001 0.000 0.252 2024 K C 0.137 176.698 176.600 -0.065 0.000 1.036 2024 K CA -0.538 55.718 56.287 -0.052 0.000 0.871 2024 K CB 1.578 34.046 32.500 -0.054 0.000 1.374 2024 K HN 0.637 nan 8.250 nan 0.000 0.459 2025 G N 0.981 109.722 108.800 -0.100 0.000 2.741 2025 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.222 2025 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.222 2025 G C 0.387 175.231 174.900 -0.093 0.000 1.364 2025 G CA 0.415 45.456 45.100 -0.099 0.000 0.866 2025 G HN 0.831 nan 8.290 nan 0.000 0.555 2026 K N 0.808 121.163 120.400 -0.074 0.000 2.148 2026 K HA -0.152 4.167 4.320 -0.001 0.000 0.213 2026 K C 0.221 176.800 176.600 -0.035 0.000 1.050 2026 K CA 3.054 59.309 56.287 -0.054 0.000 0.932 2026 K CB -1.296 31.181 32.500 -0.039 0.000 0.717 2026 K HN 0.354 nan 8.250 nan 0.000 0.462 2027 P HA -0.156 nan 4.420 nan 0.000 0.217 2027 P C 0.261 177.561 177.300 0.000 0.000 1.148 2027 P CA 0.945 64.034 63.100 -0.017 0.000 0.828 2027 P CB 0.025 31.713 31.700 -0.020 0.000 0.783 2031 N N 3.115 121.823 118.700 0.012 0.000 2.439 2031 N HA 0.252 4.991 4.740 -0.001 0.000 0.249 2031 N C -1.564 173.956 175.510 0.016 0.000 1.003 2031 N CA -2.052 50.998 53.050 0.000 0.000 0.942 2031 N CB 1.541 40.028 38.487 0.000 0.000 1.115 2031 N HN -0.078 nan 8.380 nan 0.000 0.505 2032 P HA -0.154 nan 4.420 nan 0.000 0.221 2032 P C 1.023 178.346 177.300 0.038 0.000 1.145 2032 P CA 0.769 63.871 63.100 0.002 0.000 0.795 2032 P CB 0.514 32.188 31.700 -0.044 0.000 0.775 2033 R N 0.720 121.240 120.500 0.035 0.000 2.148 2033 R HA -0.072 4.267 4.340 -0.001 0.000 0.227 2033 R C 2.090 178.454 176.300 0.108 0.000 1.103 2033 R CA 2.247 58.391 56.100 0.073 0.000 0.983 2033 R CB -1.009 29.313 30.300 0.037 0.000 0.874 2033 R HN 0.301 nan 8.270 nan 0.000 0.451 2034 T N -3.837 110.768 114.554 0.085 0.000 2.969 2034 T HA 0.141 4.490 4.350 -0.001 0.000 0.250 2034 T C 0.534 175.270 174.700 0.060 0.000 1.021 2034 T CA -0.288 61.870 62.100 0.096 0.000 1.003 2034 T CB -0.324 68.618 68.868 0.122 0.000 1.040 2034 T HN 0.076 nan 8.240 nan 0.000 0.492 2035 N N 1.964 120.704 118.700 0.067 0.000 2.412 2035 N HA 0.084 4.823 4.740 -0.001 0.000 0.258 2035 N C 0.440 175.819 175.510 -0.219 0.000 1.236 2035 N CA 0.383 53.453 53.050 0.032 0.000 0.882 2035 N CB 0.601 39.130 38.487 0.071 0.000 1.066 2035 N HN 0.349 nan 8.380 nan 0.000 0.465 2036 K N 2.053 122.058 120.400 -0.658 0.000 2.402 2036 K HA 0.239 4.559 4.320 -0.001 0.000 0.204 2036 K C 0.655 176.962 176.600 -0.488 0.000 1.056 2036 K CA 0.091 55.835 56.287 -0.906 0.000 1.069 2036 K CB 0.356 31.831 32.500 -1.709 0.000 0.888 2036 K HN 0.816 nan 8.250 nan 0.000 0.546 2040 F N 3.274 123.131 119.950 -0.156 0.000 2.502 2040 F HA 0.318 4.844 4.527 -0.001 0.000 0.371 2040 F C 1.735 177.492 175.800 -0.072 0.000 1.083 2040 F CA 1.092 59.016 58.000 -0.126 0.000 1.174 2040 F CB 0.958 39.899 39.000 -0.098 0.000 1.096 2040 F HN 0.318 nan 8.300 nan 0.000 0.545 2041 T N 1.650 116.288 114.554 0.140 0.000 2.734 2041 T HA -0.002 4.347 4.350 -0.001 0.000 0.314 2041 T C 1.126 175.867 174.700 0.069 0.000 1.057 2041 T CA -0.837 61.311 62.100 0.079 0.000 1.047 2041 T CB 0.852 69.754 68.868 0.056 0.000 0.991 2041 T HN 0.573 nan 8.240 nan 0.000 0.540 2042 L N 0.899 122.146 121.223 0.040 0.000 2.012 2042 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 2042 L C 2.974 179.850 176.870 0.009 0.000 1.073 2042 L CA 1.789 56.642 54.840 0.021 0.000 0.748 2042 L CB -0.999 41.069 42.059 0.014 0.000 0.891 2042 L HN 0.772 nan 8.230 nan 0.000 0.431 2043 Q N -0.613 119.196 119.800 0.015 0.000 2.096 2043 Q HA -0.249 4.090 4.340 -0.001 0.000 0.204 2043 Q C 2.095 178.096 176.000 0.001 0.000 0.982 2043 Q CA 2.034 57.841 55.803 0.007 0.000 0.850 2043 Q CB -0.199 28.547 28.738 0.013 0.000 0.901 2043 Q HN 0.676 nan 8.270 nan 0.000 0.422 2044 E N 0.411 120.625 120.200 0.024 0.000 2.077 2044 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 2044 E C 2.104 178.661 176.600 -0.073 0.000 0.989 2044 E CA 0.757 57.168 56.400 0.019 0.000 0.800 2044 E CB -0.035 29.746 29.700 0.135 0.000 0.746 2044 E HN 0.274 nan 8.360 nan 0.000 0.452 2045 R N 1.031 121.485 120.500 -0.077 0.000 2.073 2045 R HA -0.085 4.254 4.340 -0.001 0.000 0.234 2045 R C 1.374 177.609 176.300 -0.109 0.000 1.134 2045 R CA 0.910 56.924 56.100 -0.142 0.000 0.952 2045 R CB -0.283 29.965 30.300 -0.086 0.000 0.850 2045 R HN 0.247 nan 8.270 nan 0.000 0.433 2049 G N 1.239 109.971 108.800 -0.113 0.000 2.246 2049 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.273 2049 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.273 2049 G C 0.392 175.212 174.900 -0.134 0.000 1.055 2049 G CA 0.697 45.734 45.100 -0.105 0.000 0.851 2049 G HN 0.351 nan 8.290 nan 0.000 0.500 2050 L N -1.048 120.072 121.223 -0.173 0.000 2.731 2050 L HA 0.255 4.594 4.340 -0.001 0.000 0.240 2050 L C 1.331 178.122 176.870 -0.132 0.000 1.120 2050 L CA -0.396 54.324 54.840 -0.201 0.000 0.913 2050 L CB 0.021 41.855 42.059 -0.376 0.000 1.213 2050 L HN 0.170 nan 8.230 nan 0.000 0.515 2051 Q N 1.307 121.047 119.800 -0.099 0.000 2.269 2051 Q HA 0.086 4.425 4.340 -0.001 0.000 0.300 2051 Q C 1.231 177.201 176.000 -0.051 0.000 1.070 2051 Q CA 1.432 57.197 55.803 -0.063 0.000 0.957 2051 Q CB 0.829 29.538 28.738 -0.049 0.000 1.131 2051 Q HN 0.472 nan 8.270 nan 0.000 0.377 2052 G N 2.557 111.335 108.800 -0.037 0.000 2.268 2052 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.240 2052 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.240 2052 G C 0.696 175.579 174.900 -0.028 0.000 1.010 2052 G CA 0.311 45.394 45.100 -0.028 0.000 0.618 2052 G HN 0.552 nan 8.290 nan 0.000 0.516 2053 L N 0.237 121.436 121.223 -0.040 0.000 2.509 2053 L HA 0.457 4.796 4.340 -0.001 0.000 0.222 2053 L C 1.049 177.908 176.870 -0.018 0.000 1.123 2053 L CA 0.391 55.209 54.840 -0.036 0.000 0.856 2053 L CB -0.015 42.010 42.059 -0.058 0.000 0.985 2053 L HN 0.199 nan 8.230 nan 0.000 0.456 2054 L N -0.883 120.332 121.223 -0.013 0.000 2.341 2054 L HA 0.490 4.830 4.340 -0.001 0.000 0.267 2054 L C -2.267 174.611 176.870 0.014 0.000 1.009 2054 L CA -1.973 52.876 54.840 0.014 0.000 0.819 2054 L CB 1.709 43.788 42.059 0.034 0.000 1.323 2054 L HN -0.260 nan 8.230 nan 0.000 0.425 2055 P HA 0.135 nan 4.420 nan 0.000 0.269 2055 P C -2.088 175.223 177.300 0.019 0.000 1.215 2055 P CA -0.895 62.216 63.100 0.019 0.000 0.780 2055 P CB 0.151 31.866 31.700 0.024 0.000 0.898 2056 P HA -0.180 nan 4.420 nan 0.000 0.217 2056 P C 0.170 177.481 177.300 0.019 0.000 1.148 2056 P CA 1.381 64.489 63.100 0.013 0.000 0.834 2056 P CB 0.010 31.715 31.700 0.009 0.000 0.783 2057 K N 0.828 121.242 120.400 0.023 0.000 2.489 2057 K HA 0.051 4.370 4.320 -0.001 0.000 0.278 2057 K C -0.231 176.390 176.600 0.034 0.000 1.000 2057 K CA 0.581 56.884 56.287 0.027 0.000 1.012 2057 K CB -0.233 32.284 32.500 0.028 0.000 0.903 2057 K HN -0.087 nan 8.250 nan 0.000 0.485 2058 I N 4.221 124.811 120.570 0.034 0.000 2.378 2058 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 2058 I C 0.161 176.302 176.117 0.039 0.000 0.992 2058 I CA -0.458 60.866 61.300 0.039 0.000 1.154 2058 I CB 1.381 39.402 38.000 0.035 0.000 1.315 2058 I HN 0.757 nan 8.210 nan 0.000 0.448 2059 E N 3.305 123.531 120.200 0.043 0.000 2.299 2059 E HA 0.549 4.899 4.350 -0.001 0.000 0.260 2059 E C -0.397 176.243 176.600 0.066 0.000 0.944 2059 E CA -0.745 55.686 56.400 0.052 0.000 0.815 2059 E CB 2.327 32.062 29.700 0.059 0.000 1.252 2059 E HN 0.645 nan 8.360 nan 0.000 0.418 2060 T N -2.314 112.286 114.554 0.076 0.000 2.944 2060 T HA 0.130 4.479 4.350 -0.001 0.000 0.284 2060 T C 0.874 175.648 174.700 0.123 0.000 1.010 2060 T CA -0.700 61.457 62.100 0.094 0.000 1.025 2060 T CB 1.724 70.628 68.868 0.059 0.000 1.079 2060 T HN 0.506 nan 8.240 nan 0.000 0.516 2061 Q N -0.065 119.811 119.800 0.127 0.000 2.226 2061 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 2061 Q C 1.035 177.047 176.000 0.020 0.000 0.975 2061 Q CA 1.904 57.738 55.803 0.051 0.000 0.866 2061 Q CB -0.239 28.360 28.738 -0.231 0.000 0.915 2061 Q HN 0.819 nan 8.270 nan 0.000 0.440 2062 D N 0.150 120.564 120.400 0.023 0.000 2.117 2062 D HA -0.154 4.485 4.640 -0.001 0.000 0.198 2062 D C 1.609 177.946 176.300 0.061 0.000 0.982 2062 D CA 1.200 55.219 54.000 0.032 0.000 0.828 2062 D CB -0.040 40.773 40.800 0.022 0.000 0.967 2062 D HN 0.291 nan 8.370 nan 0.000 0.464 2063 I N 0.631 121.239 120.570 0.064 0.000 2.226 2063 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 2063 I C 2.239 178.409 176.117 0.089 0.000 1.100 2063 I CA 1.195 62.538 61.300 0.071 0.000 1.374 2063 I CB -0.266 37.772 38.000 0.063 0.000 1.057 2063 I HN 0.028 nan 8.210 nan 0.000 0.413 2064 Q N 0.581 120.437 119.800 0.094 0.000 2.124 2064 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 2064 Q C 2.483 178.557 176.000 0.123 0.000 0.977 2064 Q CA 1.667 57.533 55.803 0.105 0.000 0.850 2064 Q CB -0.291 28.512 28.738 0.107 0.000 0.901 2064 Q HN 0.581 nan 8.270 nan 0.000 0.429 2065 A N 0.874 123.763 122.820 0.114 0.000 1.902 2065 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 2065 A C 2.066 179.827 177.584 0.295 0.000 1.181 2065 A CA 1.007 53.149 52.037 0.174 0.000 0.623 2065 A CB -0.664 18.436 19.000 0.167 0.000 0.818 2065 A HN 0.296 nan 8.150 nan 0.000 0.443 2066 L N -0.952 120.402 121.223 0.218 0.000 2.042 2066 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 2066 L C 2.809 179.779 176.870 0.166 0.000 1.076 2066 L CA 1.835 56.792 54.840 0.195 0.000 0.749 2066 L CB -0.369 41.759 42.059 0.114 0.000 0.893 2066 L HN 0.508 nan 8.230 nan 0.000 0.432 2067 R N -0.380 120.209 120.500 0.149 0.000 2.083 2067 R HA -0.256 4.084 4.340 -0.001 0.000 0.237 2067 R C 2.398 178.790 176.300 0.154 0.000 1.137 2067 R CA 2.027 58.205 56.100 0.130 0.000 0.951 2067 R CB -0.495 29.885 30.300 0.132 0.000 0.851 2067 R HN 0.226 nan 8.270 nan 0.000 0.434 2068 F N 1.151 121.129 119.950 0.048 0.000 2.026 2068 F HA -0.248 4.278 4.527 -0.001 0.000 0.296 2068 F C 1.939 177.736 175.800 -0.004 0.000 1.133 2068 F CA 2.389 60.392 58.000 0.005 0.000 1.188 2068 F CB -0.749 38.114 39.000 -0.229 0.000 0.968 2068 F HN 0.171 nan 8.300 nan 0.000 0.476 2069 H N -0.912 118.093 119.070 -0.109 0.000 2.422 2069 H HA -0.116 4.440 4.556 -0.001 0.000 0.298 2069 H C 2.280 177.504 175.328 -0.173 0.000 1.098 2069 H CA 1.634 57.550 56.048 -0.221 0.000 1.315 2069 H CB -0.237 29.533 29.762 0.014 0.000 1.382 2069 H HN 0.146 nan 8.280 nan 0.000 0.523 2070 R N 0.694 121.202 120.500 0.013 0.000 2.080 2070 R HA -0.106 4.233 4.340 -0.001 0.000 0.236 2070 R C 1.777 178.036 176.300 -0.069 0.000 1.137 2070 R CA 1.668 57.764 56.100 -0.006 0.000 0.943 2070 R CB -0.048 30.262 30.300 0.018 0.000 0.846 2070 R HN 0.311 nan 8.270 nan 0.000 0.431 2071 N N 0.060 118.695 118.700 -0.107 0.000 2.270 2071 N HA -0.136 4.603 4.740 -0.001 0.000 0.181 2071 N C 1.558 176.938 175.510 -0.216 0.000 1.016 2071 N CA 0.798 53.747 53.050 -0.169 0.000 0.870 2071 N CB -0.192 38.164 38.487 -0.217 0.000 0.979 2071 N HN 0.172 nan 8.380 nan 0.000 0.431 2072 L N 1.350 122.408 121.223 -0.276 0.000 2.093 2072 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 2072 L C 2.097 178.894 176.870 -0.121 0.000 1.085 2072 L CA 1.541 56.234 54.840 -0.245 0.000 0.755 2072 L CB -0.264 41.470 42.059 -0.540 0.000 0.904 2072 L HN -0.129 nan 8.230 nan 0.000 0.435 2073 K N 0.150 120.491 120.400 -0.098 0.000 2.103 2073 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 2073 K C 0.767 177.342 176.600 -0.041 0.000 1.048 2073 K CA 1.230 57.491 56.287 -0.042 0.000 0.930 2073 K CB -0.052 32.434 32.500 -0.024 0.000 0.716 2073 K HN 0.254 nan 8.250 nan 0.000 0.444 2077 S N 2.025 117.740 115.700 0.024 0.000 2.549 2077 S HA 0.713 5.182 4.470 -0.001 0.000 0.297 2077 S C -2.219 172.412 174.600 0.052 0.000 1.115 2077 S CA -1.252 56.967 58.200 0.032 0.000 1.059 2077 S CB 2.043 65.258 63.200 0.024 0.000 1.046 2077 S HN -0.004 nan 8.310 nan 0.000 0.506 2078 P HA -0.107 nan 4.420 nan 0.000 0.216 2078 P C 1.625 178.989 177.300 0.108 0.000 1.153 2078 P CA 0.553 63.700 63.100 0.077 0.000 0.858 2078 P CB 0.008 31.738 31.700 0.050 0.000 0.789 2079 L N 0.308 121.571 121.223 0.067 0.000 2.042 2079 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 2079 L C 2.298 179.258 176.870 0.151 0.000 1.076 2079 L CA 1.939 56.825 54.840 0.076 0.000 0.749 2079 L CB -1.322 40.742 42.059 0.008 0.000 0.893 2079 L HN -0.016 nan 8.230 nan 0.000 0.432 2080 E N -0.610 119.655 120.200 0.108 0.000 2.118 2080 E HA -0.284 4.065 4.350 -0.001 0.000 0.195 2080 E C 2.105 178.811 176.600 0.175 0.000 0.992 2080 E CA 1.484 57.950 56.400 0.111 0.000 0.804 2080 E CB -0.026 29.708 29.700 0.057 0.000 0.741 2080 E HN 0.535 nan 8.360 nan 0.000 0.458 2081 K N -0.477 120.034 120.400 0.186 0.000 2.097 2081 K HA -0.183 4.136 4.320 -0.001 0.000 0.205 2081 K C 2.108 178.874 176.600 0.276 0.000 1.050 2081 K CA 1.384 57.816 56.287 0.242 0.000 0.938 2081 K CB -0.344 32.271 32.500 0.191 0.000 0.718 2081 K HN 0.247 nan 8.250 nan 0.000 0.442 2082 Y N 1.819 122.197 120.300 0.130 0.000 2.114 2082 Y HA -0.223 4.326 4.550 -0.001 0.000 0.284 2082 Y C 1.892 177.859 175.900 0.111 0.000 1.143 2082 Y CA 1.500 59.669 58.100 0.115 0.000 1.135 2082 Y CB -0.201 38.311 38.460 0.086 0.000 0.980 2082 Y HN -0.086 nan 8.280 nan 0.000 0.499 2083 I N -0.637 120.110 120.570 0.295 0.000 2.264 2083 I HA -0.345 3.824 4.170 -0.001 0.000 0.248 2083 I C 2.156 178.337 176.117 0.107 0.000 1.111 2083 I CA 1.721 63.117 61.300 0.159 0.000 1.382 2083 I CB -0.575 37.528 38.000 0.173 0.000 1.060 2083 I HN 0.362 nan 8.210 nan 0.000 0.418 2084 Y N 2.303 122.623 120.300 0.033 0.000 2.153 2084 Y HA -0.037 4.512 4.550 -0.001 0.000 0.289 2084 Y C 1.523 177.469 175.900 0.076 0.000 1.127 2084 Y CA 0.116 58.248 58.100 0.053 0.000 1.131 2084 Y CB -0.546 37.965 38.460 0.085 0.000 0.995 2084 Y HN 0.114 nan 8.280 nan 0.000 0.505 2088 I N 1.373 121.811 120.570 -0.220 0.000 2.315 2088 I HA -0.162 4.008 4.170 -0.001 0.000 0.248 2088 I C 2.659 178.607 176.117 -0.283 0.000 1.117 2088 I CA 1.718 62.905 61.300 -0.188 0.000 1.404 2088 I CB -0.051 37.842 38.000 -0.180 0.000 1.071 2088 I HN 0.286 nan 8.210 nan 0.000 0.419 2089 Q N 1.081 120.492 119.800 -0.647 0.000 2.234 2089 Q HA -0.214 4.125 4.340 -0.001 0.000 0.206 2089 Q C 1.399 177.131 176.000 -0.447 0.000 0.980 2089 Q CA 1.294 56.535 55.803 -0.936 0.000 0.869 2089 Q CB 0.174 27.886 28.738 -1.710 0.000 0.912 2089 Q HN 0.451 nan 8.270 nan 0.000 0.436 2090 E N -0.342 119.659 120.200 -0.331 0.000 2.479 2090 E HA 0.037 4.386 4.350 -0.001 0.000 0.193 2090 E C 1.103 177.625 176.600 -0.129 0.000 1.049 2090 E CA 0.179 56.457 56.400 -0.204 0.000 0.870 2090 E CB 0.424 30.009 29.700 -0.192 0.000 0.944 2090 E HN 0.381 nan 8.360 nan 0.000 0.492 2091 R N -0.162 120.269 120.500 -0.114 0.000 2.320 2091 R HA 0.152 4.491 4.340 -0.001 0.000 0.193 2091 R C 0.551 176.838 176.300 -0.022 0.000 0.885 2091 R CA 0.060 56.128 56.100 -0.053 0.000 1.085 2091 R CB 0.570 30.849 30.300 -0.033 0.000 1.253 2091 R HN -0.126 nan 8.270 nan 0.000 0.636 2092 N N 1.146 119.832 118.700 -0.024 0.000 2.653 2092 N HA 0.003 4.742 4.740 -0.001 0.000 0.261 2092 N C -0.229 175.321 175.510 0.067 0.000 1.216 2092 N CA 0.075 53.147 53.050 0.036 0.000 0.784 2092 N CB 1.588 40.110 38.487 0.059 0.000 1.327 2092 N HN 0.079 nan 8.380 nan 0.000 0.539 2093 E N 2.219 122.476 120.200 0.094 0.000 2.058 2093 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 2093 E C 0.974 177.793 176.600 0.364 0.000 0.997 2093 E CA 1.243 57.749 56.400 0.176 0.000 0.801 2093 E CB 0.343 30.157 29.700 0.190 0.000 0.746 2093 E HN 0.351 nan 8.360 nan 0.000 0.450 2094 K N 0.426 121.055 120.400 0.381 0.000 2.032 2094 K HA -0.190 4.130 4.320 -0.001 0.000 0.209 2094 K C 2.270 178.948 176.600 0.129 0.000 1.048 2094 K CA 0.934 57.429 56.287 0.347 0.000 0.927 2094 K CB -0.675 31.983 32.500 0.264 0.000 0.712 2094 K HN 0.226 nan 8.250 nan 0.000 0.441 2095 L N 0.621 121.888 121.223 0.073 0.000 2.093 2095 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 2095 L C 2.226 179.030 176.870 -0.111 0.000 1.085 2095 L CA 1.233 56.043 54.840 -0.050 0.000 0.755 2095 L CB -0.552 41.513 42.059 0.011 0.000 0.904 2095 L HN 0.074 nan 8.230 nan 0.000 0.435 2096 F N -0.450 119.352 119.950 -0.248 0.000 2.095 2096 F HA -0.294 4.232 4.527 -0.001 0.000 0.298 2096 F C 1.950 177.463 175.800 -0.477 0.000 1.104 2096 F CA 1.893 59.619 58.000 -0.457 0.000 1.232 2096 F CB -0.642 38.027 39.000 -0.551 0.000 0.987 2096 F HN 0.158 nan 8.300 nan 0.000 0.475 2097 Y N -0.487 119.751 120.300 -0.102 0.000 2.395 2097 Y HA -0.082 4.468 4.550 -0.001 0.000 0.293 2097 Y C 2.470 178.265 175.900 -0.175 0.000 1.123 2097 Y CA 0.851 58.854 58.100 -0.162 0.000 1.227 2097 Y CB -0.385 38.205 38.460 0.216 0.000 1.012 2097 Y HN -0.007 nan 8.280 nan 0.000 0.552 2098 R N 0.909 121.370 120.500 -0.065 0.000 2.092 2098 R HA -0.117 4.222 4.340 -0.001 0.000 0.231 2098 R C 1.612 177.818 176.300 -0.157 0.000 1.119 2098 R CA 1.485 57.514 56.100 -0.119 0.000 0.970 2098 R CB -0.924 29.272 30.300 -0.174 0.000 0.864 2098 R HN 0.259 nan 8.270 nan 0.000 0.440 2099 I N 0.168 120.555 120.570 -0.305 0.000 2.252 2099 I HA -0.150 4.019 4.170 -0.001 0.000 0.245 2099 I C 1.736 177.670 176.117 -0.305 0.000 1.102 2099 I CA 0.966 62.019 61.300 -0.411 0.000 1.385 2099 I CB -0.324 37.108 38.000 -0.946 0.000 1.064 2099 I HN 0.117 nan 8.210 nan 0.000 0.414 2100 L N -0.329 120.659 121.223 -0.393 0.000 2.056 2100 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 2100 L C 2.518 179.321 176.870 -0.112 0.000 1.078 2100 L CA 1.600 56.278 54.840 -0.270 0.000 0.749 2100 L CB -0.985 40.875 42.059 -0.331 0.000 0.901 2100 L HN 0.341 nan 8.230 nan 0.000 0.433 2101 Q N -0.218 119.533 119.800 -0.082 0.000 2.096 2101 Q HA -0.258 4.081 4.340 -0.001 0.000 0.204 2101 Q C 1.661 177.645 176.000 -0.027 0.000 0.982 2101 Q CA 1.949 57.727 55.803 -0.041 0.000 0.850 2101 Q CB -0.054 28.662 28.738 -0.036 0.000 0.901 2101 Q HN 0.457 nan 8.270 nan 0.000 0.422 2102 D N 0.469 120.865 120.400 -0.008 0.000 2.158 2102 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 2102 D C 0.249 176.561 176.300 0.020 0.000 0.995 2102 D CA 1.309 55.323 54.000 0.025 0.000 0.846 2102 D CB 0.044 40.918 40.800 0.124 0.000 0.941 2102 D HN 0.254 nan 8.370 nan 0.000 0.456 2103 D N -0.954 119.471 120.400 0.042 0.000 2.934 2103 D HA 0.017 4.656 4.640 -0.001 0.000 0.249 2103 D C 0.780 177.095 176.300 0.025 0.000 1.293 2103 D CA -0.343 53.679 54.000 0.036 0.000 0.812 2103 D CB 0.042 40.882 40.800 0.068 0.000 1.439 2103 D HN -0.137 nan 8.370 nan 0.000 0.555 2104 I N 1.635 122.199 120.570 -0.010 0.000 2.361 2104 I HA -0.145 4.025 4.170 -0.001 0.000 0.251 2104 I C 1.985 178.093 176.117 -0.015 0.000 1.133 2104 I CA 1.681 62.963 61.300 -0.030 0.000 1.413 2104 I CB 0.097 38.062 38.000 -0.059 0.000 1.073 2104 I HN 0.370 nan 8.210 nan 0.000 0.424 2105 E N -0.092 120.107 120.200 -0.002 0.000 2.047 2105 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 2105 E C 2.219 178.839 176.600 0.034 0.000 0.987 2105 E CA 1.668 58.075 56.400 0.011 0.000 0.799 2105 E CB -0.188 29.524 29.700 0.020 0.000 0.752 2105 E HN 0.622 nan 8.360 nan 0.000 0.449 2106 S N -0.106 115.621 115.700 0.046 0.000 2.461 2106 S HA 0.044 4.513 4.470 -0.001 0.000 0.228 2106 S C 1.109 175.757 174.600 0.079 0.000 1.005 2106 S CA 0.036 58.275 58.200 0.064 0.000 0.942 2106 S CB -0.193 63.050 63.200 0.072 0.000 0.776 2106 S HN 0.126 nan 8.310 nan 0.000 0.514 2110 I N -0.102 120.552 120.570 0.141 0.000 2.364 2110 I HA 0.000 4.169 4.170 -0.001 0.000 0.241 2110 I C 2.062 178.353 176.117 0.291 0.000 1.082 2110 I CA 0.934 62.347 61.300 0.188 0.000 1.401 2110 I CB -0.855 37.252 38.000 0.180 0.000 1.126 2110 I HN -0.111 nan 8.210 nan 0.000 0.429 2111 V N -0.420 119.649 119.914 0.259 0.000 2.719 2111 V HA -0.142 3.977 4.120 -0.001 0.000 0.252 2111 V C 1.215 177.539 176.094 0.384 0.000 1.065 2111 V CA 1.040 63.526 62.300 0.310 0.000 1.086 2111 V CB -0.074 31.859 31.823 0.183 0.000 0.700 2111 V HN 0.339 nan 8.190 nan 0.000 0.467 2112 Y N 0.331 120.716 120.300 0.141 0.000 3.114 2112 Y HA 0.469 5.018 4.550 -0.001 0.000 0.325 2112 Y C 0.905 176.844 175.900 0.064 0.000 1.397 2112 Y CA -0.760 57.405 58.100 0.108 0.000 1.008 2112 Y CB 0.664 39.175 38.460 0.084 0.000 1.338 2112 Y HN -0.063 nan 8.280 nan 0.000 0.730 2113 T N 4.843 119.056 114.554 -0.568 0.000 2.928 2113 T HA 0.114 4.463 4.350 -0.001 0.000 0.305 2113 T C -1.969 172.644 174.700 -0.145 0.000 1.035 2113 T CA -0.530 61.323 62.100 -0.412 0.000 1.145 2113 T CB 0.674 69.205 68.868 -0.561 0.000 0.963 2113 T HN 0.479 nan 8.240 nan 0.000 0.545 2114 P HA 0.045 nan 4.420 nan 0.000 0.238 2114 P C 1.319 178.550 177.300 -0.115 0.000 1.183 2114 P CA 0.427 63.445 63.100 -0.136 0.000 0.813 2114 P CB 0.045 31.676 31.700 -0.116 0.000 0.944 2115 T N 0.612 115.125 114.554 -0.069 0.000 2.778 2115 T HA -0.126 4.224 4.350 -0.001 0.000 0.269 2115 T C 1.842 176.436 174.700 -0.177 0.000 1.050 2115 T CA 1.221 63.273 62.100 -0.079 0.000 1.137 2115 T CB -1.080 67.797 68.868 0.014 0.000 0.860 2115 T HN -0.076 nan 8.240 nan 0.000 0.468 2116 V N 1.471 121.313 119.914 -0.120 0.000 2.490 2116 V HA -0.057 4.062 4.120 -0.001 0.000 0.250 2116 V C 2.524 178.497 176.094 -0.201 0.000 1.061 2116 V CA 2.214 64.425 62.300 -0.148 0.000 1.064 2116 V CB -1.007 30.816 31.823 -0.001 0.000 0.670 2116 V HN 0.578 nan 8.190 nan 0.000 0.461 2117 G N -0.414 108.281 108.800 -0.175 0.000 2.408 2117 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 2117 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 2117 G C 1.479 176.287 174.900 -0.153 0.000 1.150 2117 G CA 1.001 46.009 45.100 -0.153 0.000 0.776 2117 G HN 0.479 nan 8.290 nan 0.000 0.542 2118 L N 1.529 122.650 121.223 -0.169 0.000 2.027 2118 L HA 0.183 4.522 4.340 -0.001 0.000 0.206 2118 L C 3.071 179.812 176.870 -0.215 0.000 1.074 2118 L CA 2.061 56.803 54.840 -0.163 0.000 0.745 2118 L CB -1.013 40.958 42.059 -0.145 0.000 0.898 2118 L HN 0.238 nan 8.230 nan 0.000 0.433 2119 A N -1.237 121.374 122.820 -0.349 0.000 1.883 2119 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 2119 A C 2.445 179.947 177.584 -0.137 0.000 1.186 2119 A CA 2.050 53.848 52.037 -0.399 0.000 0.624 2119 A CB -1.518 16.853 19.000 -1.047 0.000 0.822 2119 A HN 0.628 nan 8.150 nan 0.000 0.444 2120 C N -0.028 119.174 119.300 -0.163 0.000 2.413 2120 C HA -0.102 4.357 4.460 -0.001 0.000 0.276 2120 C C 3.324 178.271 174.990 -0.073 0.000 1.236 2120 C CA 1.528 60.455 59.018 -0.153 0.000 1.735 2120 C CB -1.292 26.341 27.740 -0.179 0.000 2.031 2120 C HN 0.804 nan 8.230 nan 0.000 0.474 2121 S N -0.405 115.256 115.700 -0.065 0.000 2.507 2121 S HA -0.133 4.336 4.470 -0.001 0.000 0.235 2121 S C 1.288 175.830 174.600 -0.096 0.000 0.988 2121 S CA 1.161 59.364 58.200 0.005 0.000 0.944 2121 S CB -0.459 62.726 63.200 -0.025 0.000 0.762 2121 S HN 0.807 nan 8.310 nan 0.000 0.526 2122 Q N -1.437 118.216 119.800 -0.245 0.000 2.118 2122 Q HA 0.277 4.616 4.340 -0.001 0.000 0.219 2122 Q C 0.167 175.934 176.000 -0.389 0.000 0.794 2122 Q CA -0.381 55.181 55.803 -0.401 0.000 1.035 2122 Q CB 0.164 28.707 28.738 -0.325 0.000 1.177 2122 Q HN 0.507 nan 8.270 nan 0.000 0.478 2123 Y N 0.736 120.624 120.300 -0.687 0.000 2.181 2123 Y HA -0.244 4.306 4.550 -0.001 0.000 0.284 2123 Y C 2.136 177.806 175.900 -0.384 0.000 1.179 2123 Y CA 2.206 60.010 58.100 -0.493 0.000 1.179 2123 Y CB -0.250 37.962 38.460 -0.415 0.000 0.973 2123 Y HN 0.246 nan 8.280 nan 0.000 0.519 2124 G N -2.880 105.544 108.800 -0.627 0.000 2.572 2124 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.216 2124 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.216 2124 G C 1.060 176.013 174.900 0.089 0.000 1.133 2124 G CA 0.685 45.818 45.100 0.056 0.000 0.791 2124 G HN 0.438 nan 8.290 nan 0.000 0.538 2125 H N -0.015 118.912 119.070 -0.237 0.000 2.497 2125 H HA 0.155 4.711 4.556 -0.001 0.000 0.282 2125 H C 2.320 177.513 175.328 -0.225 0.000 1.003 2125 H CA 0.653 56.498 56.048 -0.338 0.000 1.307 2125 H CB 0.067 29.675 29.762 -0.256 0.000 1.437 2125 H HN 0.539 nan 8.280 nan 0.000 0.544 2126 I N -3.030 117.525 120.570 -0.024 0.000 3.928 2126 I HA 0.178 4.347 4.170 -0.001 0.000 0.335 2126 I C 0.071 176.153 176.117 -0.058 0.000 1.325 2126 I CA -0.415 60.863 61.300 -0.037 0.000 1.107 2126 I CB -0.161 37.829 38.000 -0.016 0.000 1.014 2126 I HN -0.151 nan 8.210 nan 0.000 0.400 2127 F N 3.071 122.893 119.950 -0.213 0.000 2.629 2127 F HA 0.117 4.643 4.527 -0.001 0.000 0.377 2127 F C 1.149 176.867 175.800 -0.137 0.000 1.101 2127 F CA 0.750 58.614 58.000 -0.226 0.000 1.301 2127 F CB 0.512 39.401 39.000 -0.184 0.000 1.062 2127 F HN 0.052 nan 8.300 nan 0.000 0.583 2128 R N 2.961 122.904 120.500 -0.929 0.000 2.840 2128 R HA 0.318 4.657 4.340 -0.001 0.000 0.173 2128 R C -0.261 175.489 176.300 -0.917 0.000 0.791 2128 R CA -0.465 55.246 56.100 -0.650 0.000 1.069 2128 R CB 0.612 30.705 30.300 -0.344 0.000 1.537 2128 R HN 0.512 nan 8.270 nan 0.000 0.609 2129 R N 1.053 120.936 120.500 -1.028 0.000 2.740 2129 R HA 0.401 4.740 4.340 -0.001 0.000 0.273 2129 R C -2.743 173.235 176.300 -0.537 0.000 0.998 2129 R CA -1.762 53.940 56.100 -0.663 0.000 0.900 2129 R CB 2.578 32.698 30.300 -0.300 0.000 1.223 2129 R HN -0.013 nan 8.270 nan 0.000 0.466 2130 P HA 0.303 nan 4.420 nan 0.000 0.278 2130 P C -1.438 176.015 177.300 0.254 0.000 1.258 2130 P CA -0.560 62.743 63.100 0.338 0.000 0.811 2130 P CB 1.155 33.133 31.700 0.465 0.000 1.063 2131 K N 0.531 121.146 120.400 0.358 0.000 2.535 2131 K HA 0.610 4.929 4.320 -0.001 0.000 0.250 2131 K C -0.185 176.517 176.600 0.169 0.000 0.948 2131 K CA -0.592 55.834 56.287 0.232 0.000 0.796 2131 K CB 1.994 34.573 32.500 0.133 0.000 1.216 2131 K HN 0.932 nan 8.250 nan 0.000 0.432 2132 G N 1.699 110.613 108.800 0.191 0.000 2.728 2132 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.294 2132 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.294 2132 G C -1.202 173.567 174.900 -0.218 0.000 1.342 2132 G CA -1.034 43.958 45.100 -0.180 0.000 0.866 2132 G HN 0.402 nan 8.290 nan 0.000 0.534 2133 L N -0.383 120.541 121.223 -0.498 0.000 2.322 2133 L HA 0.709 5.048 4.340 -0.001 0.000 0.279 2133 L C -0.488 176.078 176.870 -0.507 0.000 1.036 2133 L CA -0.659 53.997 54.840 -0.305 0.000 0.807 2133 L CB 1.276 43.180 42.059 -0.259 0.000 1.226 2133 L HN 0.428 nan 8.230 nan 0.000 0.433 2134 F N 4.098 124.032 119.950 -0.027 0.000 2.427 2134 F HA 0.478 5.004 4.527 -0.001 0.000 0.348 2134 F C 0.058 175.830 175.800 -0.047 0.000 1.125 2134 F CA -0.389 57.579 58.000 -0.053 0.000 0.989 2134 F CB 1.191 40.173 39.000 -0.030 0.000 1.165 2134 F HN 0.157 nan 8.300 nan 0.000 0.442 2135 I N 3.305 123.896 120.570 0.034 0.000 2.382 2135 I HA 0.316 4.485 4.170 -0.001 0.000 0.285 2135 I C -0.065 176.061 176.117 0.015 0.000 1.007 2135 I CA -0.404 60.907 61.300 0.018 0.000 1.142 2135 I CB 1.452 39.424 38.000 -0.047 0.000 1.289 2135 I HN 0.619 nan 8.210 nan 0.000 0.453 2136 S N 5.176 120.904 115.700 0.046 0.000 2.690 2136 S HA 0.385 4.854 4.470 -0.001 0.000 0.291 2136 S C 0.862 175.494 174.600 0.054 0.000 1.138 2136 S CA -0.659 57.566 58.200 0.042 0.000 1.013 2136 S CB 1.857 65.078 63.200 0.036 0.000 1.053 2136 S HN 0.562 nan 8.310 nan 0.000 0.539 2137 I N 1.917 122.527 120.570 0.066 0.000 2.423 2137 I HA -0.097 4.072 4.170 -0.001 0.000 0.254 2137 I C 2.084 178.248 176.117 0.077 0.000 1.151 2137 I CA 1.506 62.857 61.300 0.084 0.000 1.421 2137 I CB -0.714 37.347 38.000 0.103 0.000 1.079 2137 I HN 0.753 nan 8.210 nan 0.000 0.431 2138 S N 0.136 115.875 115.700 0.065 0.000 2.515 2138 S HA -0.067 4.403 4.470 -0.001 0.000 0.231 2138 S C 1.254 175.899 174.600 0.075 0.000 0.987 2138 S CA 0.915 59.152 58.200 0.061 0.000 0.936 2138 S CB -0.343 62.882 63.200 0.042 0.000 0.766 2138 S HN 0.525 nan 8.310 nan 0.000 0.528 2139 D N 1.520 121.971 120.400 0.085 0.000 2.349 2139 D HA 0.018 4.657 4.640 -0.001 0.000 0.214 2139 D C 0.577 176.972 176.300 0.158 0.000 1.063 2139 D CA -0.041 54.030 54.000 0.118 0.000 0.847 2139 D CB 0.071 40.930 40.800 0.098 0.000 0.933 2139 D HN 0.538 nan 8.370 nan 0.000 0.513 2140 R N 0.195 120.768 120.500 0.121 0.000 2.504 2140 R HA 0.196 4.535 4.340 -0.001 0.000 0.291 2140 R C 0.949 177.294 176.300 0.074 0.000 0.974 2140 R CA 1.006 57.160 56.100 0.089 0.000 1.077 2140 R CB -0.018 30.328 30.300 0.077 0.000 0.926 2140 R HN 0.021 nan 8.270 nan 0.000 0.407 2141 G N 2.301 111.088 108.800 -0.022 0.000 2.232 2141 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.226 2141 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.226 2141 G C 0.355 174.987 174.900 -0.446 0.000 0.996 2141 G CA 0.130 45.101 45.100 -0.214 0.000 0.626 2141 G HN 0.794 nan 8.290 nan 0.000 0.509 2142 H N -0.050 119.034 119.070 0.024 0.000 2.649 2142 H HA 0.410 4.966 4.556 -0.001 0.000 0.258 2142 H C 1.921 177.264 175.328 0.026 0.000 1.165 2142 H CA 0.431 56.492 56.048 0.022 0.000 1.006 2142 H CB 0.648 30.424 29.762 0.024 0.000 1.743 2142 H HN 0.243 nan 8.280 nan 0.000 0.609 2143 V N 0.880 120.843 119.914 0.082 0.000 2.407 2143 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 2143 V C 2.766 178.892 176.094 0.053 0.000 1.055 2143 V CA 1.792 64.137 62.300 0.075 0.000 1.049 2143 V CB -0.249 31.612 31.823 0.064 0.000 0.662 2143 V HN 0.227 nan 8.190 nan 0.000 0.455 2144 R N 1.683 122.194 120.500 0.019 0.000 2.105 2144 R HA -0.162 4.177 4.340 -0.001 0.000 0.239 2144 R C 2.516 178.828 176.300 0.020 0.000 1.135 2144 R CA 2.148 58.244 56.100 -0.006 0.000 0.967 2144 R CB -0.967 29.317 30.300 -0.027 0.000 0.861 2144 R HN 0.660 nan 8.270 nan 0.000 0.442 2145 S N -0.774 114.959 115.700 0.055 0.000 2.423 2145 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 2145 S C 2.086 176.732 174.600 0.077 0.000 1.014 2145 S CA 1.076 59.315 58.200 0.066 0.000 0.965 2145 S CB -0.371 62.884 63.200 0.092 0.000 0.785 2145 S HN 0.388 nan 8.310 nan 0.000 0.495 2146 I N 1.152 121.775 120.570 0.090 0.000 2.286 2146 I HA -0.072 4.097 4.170 -0.001 0.000 0.245 2146 I C 2.251 178.443 176.117 0.125 0.000 1.104 2146 I CA 0.802 62.167 61.300 0.109 0.000 1.397 2146 I CB -0.179 37.887 38.000 0.109 0.000 1.072 2146 I HN 0.210 nan 8.210 nan 0.000 0.417 2147 V N 0.464 120.433 119.914 0.092 0.000 2.626 2147 V HA -0.237 3.882 4.120 -0.001 0.000 0.252 2147 V C 1.607 177.767 176.094 0.109 0.000 1.067 2147 V CA 1.570 63.926 62.300 0.094 0.000 1.081 2147 V CB -0.661 31.167 31.823 0.008 0.000 0.686 2147 V HN 0.403 nan 8.190 nan 0.000 0.468 2148 D N -0.019 120.421 120.400 0.067 0.000 2.347 2148 D HA -0.052 4.587 4.640 -0.001 0.000 0.213 2148 D C 1.719 178.083 176.300 0.108 0.000 0.985 2148 D CA 0.423 54.457 54.000 0.056 0.000 0.879 2148 D CB -0.177 40.635 40.800 0.019 0.000 0.919 2148 D HN 0.368 nan 8.370 nan 0.000 0.526 2149 N N -0.058 118.729 118.700 0.145 0.000 2.457 2149 N HA -0.087 4.653 4.740 -0.001 0.000 0.180 2149 N C 0.342 175.973 175.510 0.202 0.000 1.050 2149 N CA 0.047 53.185 53.050 0.146 0.000 0.906 2149 N CB 0.105 38.677 38.487 0.142 0.000 0.968 2149 N HN 0.369 nan 8.380 nan 0.000 0.445 2150 W N 2.837 124.182 121.300 0.074 0.000 2.303 2150 W HA 0.074 4.734 4.660 -0.001 0.000 0.318 2150 W C -1.684 174.892 176.519 0.095 0.000 1.362 2150 W CA -1.376 56.024 57.345 0.091 0.000 1.234 2150 W CB 0.985 30.526 29.460 0.135 0.000 1.248 2150 W HN 0.072 nan 8.180 nan 0.000 0.546 2151 P HA -0.186 nan 4.420 nan 0.000 0.216 2151 P C -0.071 177.098 177.300 -0.220 0.000 1.150 2151 P CA 1.644 64.532 63.100 -0.353 0.000 0.837 2151 P CB 0.160 31.572 31.700 -0.481 0.000 0.786 2152 E N 0.176 120.186 120.200 -0.316 0.000 2.316 2152 E HA 0.062 4.411 4.350 -0.001 0.000 0.275 2152 E C 0.646 177.431 176.600 0.308 0.000 1.029 2152 E CA 0.056 56.477 56.400 0.036 0.000 0.871 2152 E CB 0.118 29.890 29.700 0.119 0.000 1.022 2152 E HN 0.211 nan 8.360 nan 0.000 0.418 2153 N N 1.025 119.883 118.700 0.263 0.000 2.373 2153 N HA -0.083 4.656 4.740 -0.001 0.000 0.181 2153 N C 0.141 175.941 175.510 0.483 0.000 1.082 2153 N CA 0.435 53.696 53.050 0.352 0.000 0.885 2153 N CB 0.378 38.976 38.487 0.185 0.000 0.977 2153 N HN 0.495 nan 8.380 nan 0.000 0.462 2154 H N 0.632 119.818 119.070 0.193 0.000 2.439 2154 H HA 0.259 4.814 4.556 -0.001 0.000 0.230 2154 H C -0.894 174.374 175.328 -0.099 0.000 1.420 2154 H CA -0.302 55.811 56.048 0.109 0.000 1.305 2154 H CB 0.352 30.165 29.762 0.084 0.000 1.667 2154 H HN -0.251 nan 8.280 nan 0.000 0.515 2155 V N 3.496 123.129 119.914 -0.468 0.000 2.521 2155 V HA -0.011 4.108 4.120 -0.001 0.000 0.286 2155 V C 0.953 176.788 176.094 -0.430 0.000 1.034 2155 V CA 0.327 62.236 62.300 -0.653 0.000 1.045 2155 V CB 1.308 32.389 31.823 -1.237 0.000 0.974 2155 V HN 0.644 nan 8.190 nan 0.000 0.480 2156 K N 3.277 123.494 120.400 -0.305 0.000 2.367 2156 K HA 0.411 4.731 4.320 -0.001 0.000 0.195 2156 K C 0.355 176.898 176.600 -0.095 0.000 1.060 2156 K CA 0.492 56.673 56.287 -0.178 0.000 1.022 2156 K CB 1.300 33.694 32.500 -0.176 0.000 0.894 2156 K HN 0.672 nan 8.250 nan 0.000 0.540 2157 A N 1.296 124.041 122.820 -0.124 0.000 2.408 2157 A HA 0.574 4.893 4.320 -0.001 0.000 0.295 2157 A C -0.985 176.483 177.584 -0.194 0.000 1.040 2157 A CA -0.551 51.451 52.037 -0.059 0.000 0.707 2157 A CB 1.667 20.744 19.000 0.129 0.000 1.235 2157 A HN -0.093 nan 8.150 nan 0.000 0.418 2158 V N 2.370 122.176 119.914 -0.179 0.000 2.604 2158 V HA 0.577 4.696 4.120 -0.001 0.000 0.305 2158 V C -0.540 175.398 176.094 -0.260 0.000 1.043 2158 V CA -0.562 61.593 62.300 -0.243 0.000 0.888 2158 V CB 1.865 33.583 31.823 -0.175 0.000 0.995 2158 V HN 0.692 nan 8.190 nan 0.000 0.429 2159 V N 5.206 124.920 119.914 -0.334 0.000 2.444 2159 V HA 0.557 4.676 4.120 -0.001 0.000 0.294 2159 V C -0.382 175.514 176.094 -0.331 0.000 1.022 2159 V CA -0.541 61.557 62.300 -0.337 0.000 0.850 2159 V CB 1.871 33.464 31.823 -0.383 0.000 0.992 2159 V HN 0.623 nan 8.190 nan 0.000 0.426 2160 V N 4.830 124.540 119.914 -0.340 0.000 2.680 2160 V HA 0.873 4.992 4.120 -0.001 0.000 0.309 2160 V C -0.332 175.633 176.094 -0.215 0.000 1.052 2160 V CA 0.162 62.236 62.300 -0.378 0.000 0.908 2160 V CB 2.481 33.964 31.823 -0.568 0.000 1.001 2160 V HN 0.960 nan 8.190 nan 0.000 0.431 2161 T N 2.585 116.928 114.554 -0.353 0.000 2.896 2161 T HA 0.467 4.817 4.350 -0.001 0.000 0.297 2161 T C -0.473 173.788 174.700 -0.733 0.000 1.108 2161 T CA 0.154 61.936 62.100 -0.530 0.000 1.004 2161 T CB 1.746 70.405 68.868 -0.348 0.000 1.159 2161 T HN 0.956 nan 8.240 nan 0.000 0.499 2162 D N 0.502 120.295 120.400 -1.011 0.000 2.469 2162 D HA 0.228 4.867 4.640 -0.001 0.000 0.215 2162 D C 1.307 177.399 176.300 -0.346 0.000 1.154 2162 D CA 0.582 54.233 54.000 -0.581 0.000 0.832 2162 D CB -0.327 40.178 40.800 -0.491 0.000 1.008 2162 D HN 1.073 nan 8.370 nan 0.000 0.506 2163 G N 1.429 110.019 108.800 -0.350 0.000 2.225 2163 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.267 2163 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.267 2163 G C 0.644 175.459 174.900 -0.142 0.000 1.024 2163 G CA 0.758 45.740 45.100 -0.197 0.000 0.784 2163 G HN 0.523 nan 8.290 nan 0.000 0.507 2164 E N -0.727 119.380 120.200 -0.155 0.000 2.250 2164 E HA 0.097 4.447 4.350 -0.001 0.000 0.192 2164 E C 1.655 178.215 176.600 -0.066 0.000 0.986 2164 E CA 0.047 56.391 56.400 -0.094 0.000 0.849 2164 E CB 0.112 29.768 29.700 -0.073 0.000 0.797 2164 E HN 0.307 nan 8.360 nan 0.000 0.482 2165 R N 1.541 122.003 120.500 -0.063 0.000 2.748 2165 R HA 0.193 4.533 4.340 -0.001 0.000 0.283 2165 R C -0.990 175.277 176.300 -0.055 0.000 1.507 2165 R CA -0.468 55.605 56.100 -0.045 0.000 1.666 2165 R CB 0.226 30.513 30.300 -0.022 0.000 1.237 2165 R HN 0.117 nan 8.270 nan 0.000 0.633 2166 I N 5.120 125.650 120.570 -0.066 0.000 2.406 2166 I HA 0.025 4.195 4.170 -0.001 0.000 0.293 2166 I C 1.534 177.609 176.117 -0.070 0.000 1.101 2166 I CA 0.408 61.663 61.300 -0.075 0.000 1.334 2166 I CB -0.609 37.344 38.000 -0.078 0.000 1.421 2166 I HN 0.569 nan 8.210 nan 0.000 0.513 2167 L N 4.982 126.162 121.223 -0.071 0.000 6.828 2167 L HA -0.303 4.036 4.340 -0.001 0.000 0.053 2167 L C 1.429 178.264 176.870 -0.058 0.000 1.638 2167 L CA 1.344 56.140 54.840 -0.073 0.000 1.687 2167 L CB -1.398 40.602 42.059 -0.098 0.000 2.704 2167 L HN 0.716 nan 8.230 nan 0.000 1.061 2168 G N -0.527 108.238 108.800 -0.058 0.000 3.448 2168 G HA2 0.456 4.416 3.960 -0.001 0.000 0.261 2168 G HA3 0.456 4.416 3.960 -0.001 0.000 0.261 2168 G C 0.853 175.725 174.900 -0.046 0.000 1.173 2168 G CA -0.070 45.001 45.100 -0.048 0.000 0.835 2168 G HN 0.334 nan 8.290 nan 0.000 0.534 2169 L N -0.088 121.105 121.223 -0.049 0.000 2.592 2169 L HA 0.305 4.644 4.340 -0.001 0.000 0.227 2169 L C 1.732 178.579 176.870 -0.039 0.000 1.127 2169 L CA 0.352 55.166 54.840 -0.043 0.000 0.884 2169 L CB -0.313 41.718 42.059 -0.046 0.000 1.065 2169 L HN 0.360 nan 8.230 nan 0.000 0.457 2170 G N 0.738 109.513 108.800 -0.041 0.000 2.553 2170 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.242 2170 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.242 2170 G C -0.483 174.390 174.900 -0.046 0.000 1.277 2170 G CA -0.155 44.920 45.100 -0.041 0.000 0.910 2170 G HN 0.236 nan 8.290 nan 0.000 0.576 2171 D N 1.007 121.376 120.400 -0.051 0.000 2.344 2171 D HA 0.410 5.049 4.640 -0.001 0.000 0.253 2171 D C 1.304 177.567 176.300 -0.061 0.000 1.255 2171 D CA -0.037 53.926 54.000 -0.062 0.000 0.894 2171 D CB 0.231 40.988 40.800 -0.071 0.000 1.067 2171 D HN 0.399 nan 8.370 nan 0.000 0.492 2172 L N 3.236 124.434 121.223 -0.041 0.000 2.959 2172 L HA 0.283 4.622 4.340 -0.001 0.000 0.259 2172 L C 1.627 178.513 176.870 0.027 0.000 1.185 2172 L CA -0.125 54.716 54.840 0.002 0.000 0.998 2172 L CB -0.060 42.039 42.059 0.067 0.000 1.337 2172 L HN 0.643 nan 8.230 nan 0.000 0.555 2173 G N 0.811 109.606 108.800 -0.009 0.000 2.614 2173 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.303 2173 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.303 2173 G C 0.766 175.728 174.900 0.104 0.000 1.270 2173 G CA 0.237 45.379 45.100 0.069 0.000 0.988 2173 G HN -0.082 nan 8.290 nan 0.000 0.551 2174 V N 0.720 120.727 119.914 0.154 0.000 3.078 2174 V HA -0.081 4.038 4.120 -0.001 0.000 0.265 2174 V C 2.191 178.429 176.094 0.241 0.000 1.122 2174 V CA 2.318 64.675 62.300 0.096 0.000 1.141 2174 V CB -0.842 30.939 31.823 -0.070 0.000 0.735 2174 V HN 0.543 nan 8.190 nan 0.000 0.498 2175 Y N 0.670 121.044 120.300 0.125 0.000 2.574 2175 Y HA 0.027 4.576 4.550 -0.001 0.000 0.294 2175 Y C 1.916 177.693 175.900 -0.205 0.000 1.142 2175 Y CA -0.196 57.955 58.100 0.084 0.000 1.314 2175 Y CB 0.025 38.582 38.460 0.162 0.000 0.991 2175 Y HN 0.447 nan 8.280 nan 0.000 0.555 2179 I N 2.107 122.579 120.570 -0.163 0.000 2.163 2179 I HA 0.004 4.173 4.170 -0.001 0.000 0.240 2179 I C -0.173 175.901 176.117 -0.071 0.000 1.081 2179 I CA 1.159 62.408 61.300 -0.083 0.000 1.353 2179 I CB -1.867 36.067 38.000 -0.110 0.000 1.054 2179 I HN 0.031 nan 8.210 nan 0.000 0.407 2180 P HA -0.098 nan 4.420 nan 0.000 0.216 2180 P C 2.255 179.474 177.300 -0.134 0.000 1.150 2180 P CA 1.104 64.095 63.100 -0.180 0.000 0.837 2180 P CB 0.036 31.587 31.700 -0.249 0.000 0.786 2181 V N -0.053 119.814 119.914 -0.078 0.000 2.287 2181 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 2181 V C 2.581 178.711 176.094 0.060 0.000 1.053 2181 V CA 2.577 64.871 62.300 -0.010 0.000 1.027 2181 V CB -1.883 29.977 31.823 0.062 0.000 0.646 2181 V HN 0.189 nan 8.190 nan 0.000 0.447 2182 G N -0.290 108.582 108.800 0.120 0.000 2.418 2182 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 2182 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 2182 G C 1.642 176.676 174.900 0.224 0.000 1.158 2182 G CA 0.539 45.775 45.100 0.227 0.000 0.771 2182 G HN 0.369 nan 8.290 nan 0.000 0.545 2183 K N 0.403 120.896 120.400 0.155 0.000 2.032 2183 K HA 0.021 4.340 4.320 -0.001 0.000 0.209 2183 K C 2.513 179.216 176.600 0.171 0.000 1.048 2183 K CA 0.685 57.059 56.287 0.146 0.000 0.927 2183 K CB -0.731 31.685 32.500 -0.139 0.000 0.712 2183 K HN 0.345 nan 8.250 nan 0.000 0.441 2184 L N 0.487 121.675 121.223 -0.057 0.000 2.083 2184 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 2184 L C 2.700 179.644 176.870 0.123 0.000 1.083 2184 L CA 0.816 55.570 54.840 -0.143 0.000 0.752 2184 L CB -0.599 41.315 42.059 -0.243 0.000 0.899 2184 L HN 0.175 nan 8.230 nan 0.000 0.433 2185 C N 0.044 119.468 119.300 0.205 0.000 2.413 2185 C HA -0.172 4.287 4.460 -0.001 0.000 0.277 2185 C C 2.690 177.866 174.990 0.310 0.000 1.265 2185 C CA 0.641 59.882 59.018 0.372 0.000 1.752 2185 C CB -0.872 27.088 27.740 0.367 0.000 1.998 2185 C HN 0.453 nan 8.230 nan 0.000 0.489 2186 L N -1.417 119.950 121.223 0.239 0.000 2.240 2186 L HA -0.086 4.254 4.340 -0.001 0.000 0.211 2186 L C 2.410 179.396 176.870 0.194 0.000 1.106 2186 L CA 1.073 56.000 54.840 0.146 0.000 0.793 2186 L CB -0.685 41.403 42.059 0.050 0.000 0.927 2186 L HN 0.276 nan 8.230 nan 0.000 0.446 2187 Y N 0.805 121.162 120.300 0.096 0.000 2.165 2187 Y HA -0.242 4.307 4.550 -0.001 0.000 0.286 2187 Y C 2.805 178.670 175.900 -0.060 0.000 1.155 2187 Y CA 1.743 59.874 58.100 0.053 0.000 1.164 2187 Y CB -0.742 37.747 38.460 0.047 0.000 0.978 2187 Y HN 0.129 nan 8.280 nan 0.000 0.513 2188 T N -0.955 113.624 114.554 0.041 0.000 2.939 2188 T HA 0.019 4.368 4.350 -0.001 0.000 0.254 2188 T C 2.185 176.787 174.700 -0.162 0.000 1.041 2188 T CA 0.964 62.927 62.100 -0.229 0.000 1.142 2188 T CB -0.519 67.901 68.868 -0.747 0.000 0.874 2188 T HN 0.319 nan 8.240 nan 0.000 0.452 2189 A N 0.430 123.233 122.820 -0.028 0.000 1.930 2189 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 2189 A C 2.519 180.087 177.584 -0.025 0.000 1.175 2189 A CA 1.301 53.364 52.037 0.043 0.000 0.627 2189 A CB -1.054 18.003 19.000 0.095 0.000 0.815 2189 A HN 0.623 nan 8.150 nan 0.000 0.443 2190 C N -2.074 117.189 119.300 -0.062 0.000 2.541 2190 C HA 0.454 4.913 4.460 -0.001 0.000 0.284 2190 C C 2.787 177.716 174.990 -0.102 0.000 1.341 2190 C CA 0.541 59.491 59.018 -0.114 0.000 1.732 2190 C CB -0.636 26.983 27.740 -0.202 0.000 2.126 2190 C HN 0.657 nan 8.230 nan 0.000 0.505 2191 A N -0.387 122.374 122.820 -0.098 0.000 2.430 2191 A HA 0.495 4.814 4.320 -0.001 0.000 0.243 2191 A C 1.551 179.105 177.584 -0.051 0.000 1.254 2191 A CA 0.962 52.944 52.037 -0.092 0.000 0.914 2191 A CB -0.685 18.231 19.000 -0.140 0.000 0.998 2191 A HN 1.204 nan 8.150 nan 0.000 0.515 2192 G N -0.024 108.764 108.800 -0.021 0.000 2.179 2192 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.257 2192 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.257 2192 G C 0.099 175.025 174.900 0.044 0.000 1.010 2192 G CA 0.457 45.583 45.100 0.042 0.000 0.736 2192 G HN 0.511 nan 8.290 nan 0.000 0.513 2193 I N 0.592 121.148 120.570 -0.023 0.000 2.496 2193 I HA 0.179 4.348 4.170 -0.001 0.000 0.285 2193 I C 1.376 177.391 176.117 -0.170 0.000 1.080 2193 I CA -0.593 60.685 61.300 -0.037 0.000 1.404 2193 I CB 0.570 38.592 38.000 0.037 0.000 1.403 2193 I HN 0.081 nan 8.210 nan 0.000 0.539 2194 R N 8.202 128.590 120.500 -0.186 0.000 2.480 2194 R HA 0.021 4.360 4.340 -0.001 0.000 0.303 2194 R C -1.347 174.670 176.300 -0.471 0.000 0.985 2194 R CA -0.949 54.882 56.100 -0.448 0.000 1.051 2194 R CB 0.114 30.288 30.300 -0.210 0.000 0.935 2194 R HN 0.473 nan 8.270 nan 0.000 0.410 2195 P HA -0.214 nan 4.420 nan 0.000 0.218 2195 P C 0.367 177.537 177.300 -0.216 0.000 1.148 2195 P CA 1.347 64.195 63.100 -0.420 0.000 0.822 2195 P CB 0.137 31.560 31.700 -0.461 0.000 0.784 2196 D N -0.800 119.473 120.400 -0.212 0.000 2.371 2196 D HA -0.115 4.524 4.640 -0.001 0.000 0.221 2196 D C 1.323 177.591 176.300 -0.053 0.000 0.986 2196 D CA 0.471 54.426 54.000 -0.074 0.000 0.899 2196 D CB -0.391 40.382 40.800 -0.044 0.000 0.902 2196 D HN 0.104 nan 8.370 nan 0.000 0.530 2197 R N -0.211 120.213 120.500 -0.126 0.000 2.432 2197 R HA 0.229 4.569 4.340 -0.001 0.000 0.260 2197 R C -0.228 175.968 176.300 -0.173 0.000 0.935 2197 R CA -0.226 55.775 56.100 -0.165 0.000 1.080 2197 R CB -0.210 29.968 30.300 -0.203 0.000 1.155 2197 R HN 0.151 nan 8.270 nan 0.000 0.531 2198 C N 1.271 120.487 119.300 -0.139 0.000 2.411 2198 C HA 0.638 5.098 4.460 -0.001 0.000 0.330 2198 C C -0.273 174.595 174.990 -0.203 0.000 1.224 2198 C CA -1.031 57.873 59.018 -0.191 0.000 1.770 2198 C CB 1.297 28.918 27.740 -0.197 0.000 2.297 2198 C HN 0.297 nan 8.230 nan 0.000 0.507 2199 L N 5.641 126.656 121.223 -0.347 0.000 2.446 2199 L HA 0.601 4.940 4.340 -0.001 0.000 0.268 2199 L C -2.844 173.734 176.870 -0.487 0.000 0.975 2199 L CA -1.505 53.017 54.840 -0.530 0.000 0.848 2199 L CB 1.659 43.279 42.059 -0.731 0.000 1.225 2199 L HN 0.396 nan 8.230 nan 0.000 0.410 2200 P HA 0.457 nan 4.420 nan 0.000 0.285 2200 P C -1.347 175.671 177.300 -0.470 0.000 1.259 2200 P CA -0.339 62.524 63.100 -0.395 0.000 0.794 2200 P CB 1.680 33.205 31.700 -0.291 0.000 0.940 2201 V N 2.790 122.439 119.914 -0.442 0.000 2.789 2201 V HA 0.447 4.566 4.120 -0.001 0.000 0.311 2201 V C -0.571 175.222 176.094 -0.501 0.000 1.073 2201 V CA -0.506 61.499 62.300 -0.492 0.000 0.921 2201 V CB 2.436 33.987 31.823 -0.454 0.000 1.009 2201 V HN 0.684 nan 8.190 nan 0.000 0.426 2202 C N 6.429 125.413 119.300 -0.526 0.000 2.364 2202 C HA 0.660 5.119 4.460 -0.001 0.000 0.324 2202 C C -0.675 174.122 174.990 -0.321 0.000 1.234 2202 C CA -0.519 58.253 59.018 -0.411 0.000 1.417 2202 C CB 0.052 27.580 27.740 -0.353 0.000 2.101 2202 C HN 0.707 nan 8.230 nan 0.000 0.466 2203 I N 5.468 125.847 120.570 -0.319 0.000 2.297 2203 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 2203 I C 0.016 176.075 176.117 -0.097 0.000 1.033 2203 I CA 0.289 61.452 61.300 -0.227 0.000 1.253 2203 I CB 0.935 38.783 38.000 -0.254 0.000 1.396 2203 I HN 0.678 nan 8.210 nan 0.000 0.476 2204 D N 6.687 127.071 120.400 -0.026 0.000 2.412 2204 D HA 0.283 4.922 4.640 -0.001 0.000 0.224 2204 D C 0.587 176.917 176.300 0.049 0.000 1.093 2204 D CA -0.327 53.681 54.000 0.013 0.000 0.850 2204 D CB 1.239 42.051 40.800 0.019 0.000 1.046 2204 D HN 0.345 nan 8.370 nan 0.000 0.507 2205 V N 1.683 121.640 119.914 0.072 0.000 3.176 2205 V HA 0.719 4.838 4.120 -0.001 0.000 0.332 2205 V C 0.784 176.906 176.094 0.047 0.000 1.414 2205 V CA 0.373 62.734 62.300 0.101 0.000 1.133 2205 V CB -0.327 31.624 31.823 0.213 0.000 1.088 2205 V HN 0.705 nan 8.190 nan 0.000 0.473 2206 G N -0.190 108.629 108.800 0.033 0.000 2.434 2206 G HA2 0.276 4.235 3.960 -0.001 0.000 0.671 2206 G HA3 0.276 4.235 3.960 -0.001 0.000 0.671 2206 G C -0.493 174.399 174.900 -0.014 0.000 1.280 2206 G CA -0.039 45.071 45.100 0.017 0.000 0.975 2206 G HN 1.220 nan 8.290 nan 0.000 0.510 2207 T N -1.248 113.271 114.554 -0.059 0.000 2.956 2207 T HA 0.568 4.917 4.350 -0.001 0.000 0.312 2207 T C -0.452 174.173 174.700 -0.124 0.000 1.151 2207 T CA 0.166 62.198 62.100 -0.113 0.000 1.024 2207 T CB 1.757 70.500 68.868 -0.209 0.000 1.140 2207 T HN 0.396 nan 8.240 nan 0.000 0.473 2208 D N 2.137 122.473 120.400 -0.108 0.000 2.340 2208 D HA 0.106 4.746 4.640 -0.001 0.000 0.220 2208 D C 0.545 176.785 176.300 -0.101 0.000 1.039 2208 D CA 0.152 54.099 54.000 -0.089 0.000 0.866 2208 D CB 0.146 40.905 40.800 -0.069 0.000 0.913 2208 D HN 0.439 nan 8.370 nan 0.000 0.523 2209 N N 1.987 120.601 118.700 -0.143 0.000 2.406 2209 N HA -0.049 4.690 4.740 -0.001 0.000 0.269 2209 N C 1.251 176.669 175.510 -0.152 0.000 1.210 2209 N CA -0.115 52.847 53.050 -0.148 0.000 0.966 2209 N CB 0.221 38.592 38.487 -0.193 0.000 1.293 2209 N HN -0.029 nan 8.380 nan 0.000 0.491 2210 I N 2.619 123.132 120.570 -0.095 0.000 2.194 2210 I HA -0.311 3.859 4.170 -0.001 0.000 0.246 2210 I C 2.104 178.179 176.117 -0.070 0.000 1.093 2210 I CA 1.149 62.405 61.300 -0.072 0.000 1.355 2210 I CB -1.374 36.599 38.000 -0.044 0.000 1.046 2210 I HN 0.534 nan 8.210 nan 0.000 0.413 2211 A N 0.709 123.491 122.820 -0.064 0.000 1.877 2211 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 2211 A C 2.387 179.935 177.584 -0.060 0.000 1.186 2211 A CA 1.323 53.338 52.037 -0.036 0.000 0.620 2211 A CB -0.837 18.156 19.000 -0.012 0.000 0.822 2211 A HN 0.420 nan 8.150 nan 0.000 0.443 2212 L N -0.643 120.478 121.223 -0.169 0.000 2.083 2212 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 2212 L C 2.316 178.989 176.870 -0.328 0.000 1.083 2212 L CA 0.834 55.468 54.840 -0.345 0.000 0.752 2212 L CB -0.509 41.113 42.059 -0.727 0.000 0.899 2212 L HN 0.357 nan 8.230 nan 0.000 0.433 2213 L N -0.361 120.721 121.223 -0.235 0.000 2.456 2213 L HA -0.166 4.173 4.340 -0.001 0.000 0.224 2213 L C 1.898 178.844 176.870 0.126 0.000 1.148 2213 L CA 1.080 55.924 54.840 0.005 0.000 0.825 2213 L CB -0.266 41.784 42.059 -0.015 0.000 0.937 2213 L HN 0.244 nan 8.230 nan 0.000 0.450 2214 K N -1.198 119.227 120.400 0.042 0.000 2.358 2214 K HA 0.069 4.388 4.320 -0.001 0.000 0.200 2214 K C 0.019 176.655 176.600 0.060 0.000 1.030 2214 K CA -0.192 56.111 56.287 0.027 0.000 1.097 2214 K CB 0.413 32.914 32.500 0.001 0.000 0.862 2214 K HN 0.005 nan 8.250 nan 0.000 0.534 2215 D N 2.085 122.569 120.400 0.140 0.000 2.280 2215 D HA 0.062 4.701 4.640 -0.001 0.000 0.243 2215 D C -1.643 174.778 176.300 0.202 0.000 1.129 2215 D CA -2.237 51.880 54.000 0.195 0.000 0.848 2215 D CB 1.596 42.571 40.800 0.292 0.000 1.107 2215 D HN -0.059 nan 8.370 nan 0.000 0.471 2216 P HA -0.026 nan 4.420 nan 0.000 0.242 2216 P C 0.663 177.825 177.300 -0.230 0.000 1.197 2216 P CA 0.373 63.345 63.100 -0.213 0.000 0.765 2216 P CB 0.027 31.447 31.700 -0.466 0.000 0.936 2217 F N -2.343 117.725 119.950 0.197 0.000 2.721 2217 F HA 0.215 4.741 4.527 -0.001 0.000 0.301 2217 F C 1.610 177.583 175.800 0.290 0.000 1.096 2217 F CA -1.205 56.903 58.000 0.179 0.000 1.308 2217 F CB -0.953 38.113 39.000 0.110 0.000 1.086 2217 F HN -0.158 nan 8.300 nan 0.000 0.587 2221 L N 0.466 121.599 121.223 -0.150 0.000 2.416 2221 L HA 0.320 4.659 4.340 -0.001 0.000 0.272 2221 L C -0.207 176.669 176.870 0.009 0.000 1.161 2221 L CA -0.147 54.670 54.840 -0.039 0.000 0.845 2221 L CB 0.046 42.116 42.059 0.019 0.000 1.119 2221 L HN 0.453 nan 8.230 nan 0.000 0.464 2222 Y N 3.653 124.014 120.300 0.100 0.000 2.568 2222 Y HA 0.340 4.889 4.550 -0.001 0.000 0.338 2222 Y C 0.491 176.404 175.900 0.022 0.000 1.245 2222 Y CA -0.188 57.955 58.100 0.072 0.000 1.667 2222 Y CB -0.239 38.245 38.460 0.041 0.000 1.568 2222 Y HN 0.596 nan 8.280 nan 0.000 0.471 2223 Q N 0.048 119.911 119.800 0.105 0.000 2.527 2223 Q HA 0.444 4.784 4.340 -0.001 0.000 0.280 2223 Q C -1.400 174.607 176.000 0.012 0.000 0.977 2223 Q CA -1.420 54.417 55.803 0.058 0.000 0.837 2223 Q CB 1.474 30.246 28.738 0.056 0.000 1.454 2223 Q HN 0.016 nan 8.270 nan 0.000 0.387 2224 K N 1.335 121.734 120.400 -0.002 0.000 2.230 2224 K HA 0.255 4.574 4.320 -0.001 0.000 0.253 2224 K C -0.137 176.448 176.600 -0.024 0.000 1.008 2224 K CA -0.287 55.984 56.287 -0.026 0.000 0.910 2224 K CB 0.393 32.879 32.500 -0.023 0.000 0.994 2224 K HN 0.578 nan 8.250 nan 0.000 0.495 2225 R N 1.589 122.062 120.500 -0.047 0.000 2.538 2225 R HA -0.061 4.278 4.340 -0.001 0.000 0.282 2225 R C 0.293 176.560 176.300 -0.054 0.000 1.009 2225 R CA 0.121 56.184 56.100 -0.062 0.000 1.063 2225 R CB 0.210 30.445 30.300 -0.109 0.000 0.945 2225 R HN 0.478 nan 8.270 nan 0.000 0.414 2226 D N 2.764 123.145 120.400 -0.031 0.000 2.336 2226 D HA 0.028 4.667 4.640 -0.001 0.000 0.249 2226 D C 0.142 176.412 176.300 -0.050 0.000 1.213 2226 D CA 0.046 54.051 54.000 0.009 0.000 0.870 2226 D CB 0.663 41.514 40.800 0.084 0.000 1.076 2226 D HN 0.420 nan 8.370 nan 0.000 0.483 2227 R N 2.001 122.477 120.500 -0.039 0.000 2.468 2227 R HA 0.103 4.442 4.340 -0.001 0.000 0.280 2227 R C 0.956 177.296 176.300 0.068 0.000 0.963 2227 R CA -0.245 55.821 56.100 -0.055 0.000 1.083 2227 R CB 0.608 30.872 30.300 -0.060 0.000 1.200 2227 R HN 0.470 nan 8.270 nan 0.000 0.541 2228 T N -2.332 112.286 114.554 0.106 0.000 2.793 2228 T HA -0.019 4.330 4.350 -0.001 0.000 0.299 2228 T C 1.231 176.044 174.700 0.189 0.000 1.038 2228 T CA -0.490 61.685 62.100 0.125 0.000 0.948 2228 T CB 1.000 69.927 68.868 0.098 0.000 1.231 2228 T HN -0.075 nan 8.240 nan 0.000 0.538 2229 Q N -0.255 119.638 119.800 0.154 0.000 2.364 2229 Q HA -0.075 4.264 4.340 -0.001 0.000 0.209 2229 Q C 2.290 178.393 176.000 0.171 0.000 0.977 2229 Q CA 1.533 57.433 55.803 0.163 0.000 0.885 2229 Q CB -0.620 28.188 28.738 0.116 0.000 0.941 2229 Q HN 0.769 nan 8.270 nan 0.000 0.464 2230 Q N -1.400 118.498 119.800 0.164 0.000 2.170 2230 Q HA -0.204 4.135 4.340 -0.001 0.000 0.203 2230 Q C 1.418 177.534 176.000 0.192 0.000 0.976 2230 Q CA 1.392 57.285 55.803 0.150 0.000 0.858 2230 Q CB -0.205 28.611 28.738 0.130 0.000 0.907 2230 Q HN 0.547 nan 8.270 nan 0.000 0.433 2231 Y N 1.919 122.296 120.300 0.128 0.000 2.114 2231 Y HA -0.228 4.321 4.550 -0.001 0.000 0.284 2231 Y C 1.363 177.396 175.900 0.221 0.000 1.143 2231 Y CA 2.007 60.208 58.100 0.168 0.000 1.135 2231 Y CB -0.176 38.398 38.460 0.190 0.000 0.980 2231 Y HN 0.093 nan 8.280 nan 0.000 0.499 2232 D N 0.058 120.566 120.400 0.181 0.000 2.144 2232 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 2232 D C 1.732 178.066 176.300 0.056 0.000 0.984 2232 D CA 1.677 55.763 54.000 0.143 0.000 0.834 2232 D CB -0.318 40.636 40.800 0.256 0.000 0.955 2232 D HN 0.397 nan 8.370 nan 0.000 0.465 2233 D N -0.107 120.340 120.400 0.079 0.000 2.117 2233 D HA -0.109 4.530 4.640 -0.001 0.000 0.197 2233 D C 2.079 178.395 176.300 0.025 0.000 0.987 2233 D CA 0.325 54.362 54.000 0.063 0.000 0.829 2233 D CB -0.315 40.526 40.800 0.069 0.000 0.961 2233 D HN 0.133 nan 8.370 nan 0.000 0.460 2234 L N 0.882 122.107 121.223 0.003 0.000 2.012 2234 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 2234 L C 2.083 178.922 176.870 -0.052 0.000 1.073 2234 L CA 1.280 56.111 54.840 -0.014 0.000 0.748 2234 L CB -0.326 41.728 42.059 -0.008 0.000 0.891 2234 L HN -0.035 nan 8.230 nan 0.000 0.431 2235 I N -0.514 119.955 120.570 -0.168 0.000 2.226 2235 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 2235 I C 2.256 178.332 176.117 -0.068 0.000 1.100 2235 I CA 1.284 62.463 61.300 -0.202 0.000 1.374 2235 I CB -1.471 36.174 38.000 -0.591 0.000 1.057 2235 I HN 0.359 nan 8.210 nan 0.000 0.413 2236 D N 0.679 121.082 120.400 0.005 0.000 2.092 2236 D HA -0.243 4.396 4.640 -0.001 0.000 0.193 2236 D C 2.069 178.354 176.300 -0.025 0.000 0.994 2236 D CA 1.406 55.447 54.000 0.067 0.000 0.828 2236 D CB -0.063 40.818 40.800 0.135 0.000 0.963 2236 D HN 0.435 nan 8.370 nan 0.000 0.450 2237 E N -0.605 119.594 120.200 -0.001 0.000 2.160 2237 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 2237 E C 0.952 177.528 176.600 -0.040 0.000 0.991 2237 E CA 0.184 56.575 56.400 -0.015 0.000 0.810 2237 E CB -0.048 29.656 29.700 0.007 0.000 0.742 2237 E HN 0.109 nan 8.360 nan 0.000 0.466 2241 A N 2.239 124.910 122.820 -0.247 0.000 1.877 2241 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 2241 A C 1.938 179.359 177.584 -0.271 0.000 1.186 2241 A CA 1.542 53.453 52.037 -0.210 0.000 0.620 2241 A CB -0.489 18.423 19.000 -0.147 0.000 0.822 2241 A HN 0.333 nan 8.150 nan 0.000 0.443 2242 I N 0.819 121.128 120.570 -0.434 0.000 2.179 2242 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 2242 I C 2.776 178.770 176.117 -0.205 0.000 1.088 2242 I CA 2.302 63.387 61.300 -0.359 0.000 1.357 2242 I CB -1.773 35.837 38.000 -0.649 0.000 1.051 2242 I HN 0.557 nan 8.210 nan 0.000 0.409 2243 T N -1.873 112.529 114.554 -0.253 0.000 2.857 2243 T HA -0.118 4.231 4.350 -0.001 0.000 0.266 2243 T C 1.570 176.227 174.700 -0.072 0.000 1.048 2243 T CA 1.019 63.053 62.100 -0.110 0.000 1.139 2243 T CB -0.356 68.479 68.868 -0.056 0.000 0.874 2243 T HN 0.126 nan 8.240 nan 0.000 0.455 2244 D N 1.373 121.708 120.400 -0.109 0.000 2.104 2244 D HA -0.079 4.560 4.640 -0.001 0.000 0.194 2244 D C 2.245 178.468 176.300 -0.128 0.000 0.994 2244 D CA 1.113 55.057 54.000 -0.093 0.000 0.830 2244 D CB -0.278 40.465 40.800 -0.097 0.000 0.959 2244 D HN 0.451 nan 8.370 nan 0.000 0.452 2245 R N -1.079 119.284 120.500 -0.229 0.000 2.127 2245 R HA -0.039 4.300 4.340 -0.001 0.000 0.217 2245 R C 1.493 177.564 176.300 -0.382 0.000 1.074 2245 R CA 0.848 56.722 56.100 -0.377 0.000 0.991 2245 R CB 0.030 29.948 30.300 -0.636 0.000 0.895 2245 R HN 0.287 nan 8.270 nan 0.000 0.450 2246 Y N -1.130 119.161 120.300 -0.014 0.000 2.462 2246 Y HA 0.384 4.934 4.550 -0.001 0.000 0.253 2246 Y C 0.601 176.520 175.900 0.032 0.000 1.095 2246 Y CA -0.002 58.114 58.100 0.027 0.000 1.283 2246 Y CB 1.682 40.148 38.460 0.010 0.000 1.138 2246 Y HN 0.267 nan 8.280 nan 0.000 0.522 2247 G N 0.249 109.120 108.800 0.119 0.000 2.379 2247 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.609 2247 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.609 2247 G C -0.482 174.450 174.900 0.053 0.000 1.484 2247 G CA -0.868 44.282 45.100 0.083 0.000 0.921 2247 G HN -0.032 nan 8.290 nan 0.000 0.658 2248 R N 0.836 121.361 120.500 0.042 0.000 2.148 2248 R HA -0.037 4.302 4.340 -0.001 0.000 0.227 2248 R C 2.121 178.445 176.300 0.040 0.000 1.103 2248 R CA 2.056 58.189 56.100 0.056 0.000 0.983 2248 R CB -0.054 30.257 30.300 0.019 0.000 0.874 2248 R HN 0.641 nan 8.270 nan 0.000 0.451 2249 N N -0.861 117.848 118.700 0.015 0.000 2.295 2249 N HA -0.013 4.726 4.740 -0.001 0.000 0.221 2249 N C -0.854 174.671 175.510 0.025 0.000 1.129 2249 N CA 0.012 53.061 53.050 -0.002 0.000 0.836 2249 N CB -0.049 38.433 38.487 -0.008 0.000 1.040 2249 N HN -0.144 nan 8.380 nan 0.000 0.494 2250 T N 1.837 116.406 114.554 0.025 0.000 2.834 2250 T HA 0.075 4.424 4.350 -0.001 0.000 0.298 2250 T C 0.421 175.126 174.700 0.008 0.000 0.966 2250 T CA -0.471 61.634 62.100 0.008 0.000 1.141 2250 T CB 0.962 69.822 68.868 -0.013 0.000 0.905 2250 T HN 0.243 nan 8.240 nan 0.000 0.535 2251 L N 5.500 126.746 121.223 0.038 0.000 2.500 2251 L HA 0.320 4.659 4.340 -0.001 0.000 0.272 2251 L C -0.525 176.377 176.870 0.054 0.000 1.149 2251 L CA 0.066 54.968 54.840 0.104 0.000 0.897 2251 L CB 0.025 42.190 42.059 0.176 0.000 1.178 2251 L HN 0.646 nan 8.230 nan 0.000 0.473 2252 I N 5.750 126.354 120.570 0.057 0.000 2.390 2252 I HA 0.221 4.390 4.170 -0.001 0.000 0.283 2252 I C -0.162 175.931 176.117 -0.040 0.000 1.016 2252 I CA -0.324 60.960 61.300 -0.027 0.000 1.151 2252 I CB 1.659 39.624 38.000 -0.058 0.000 1.293 2252 I HN 0.597 nan 8.210 nan 0.000 0.458 2253 Q N 6.414 126.099 119.800 -0.192 0.000 2.360 2253 Q HA 0.391 4.730 4.340 -0.001 0.000 0.254 2253 Q C -1.313 174.498 176.000 -0.315 0.000 0.975 2253 Q CA -0.671 54.861 55.803 -0.452 0.000 0.912 2253 Q CB 0.933 29.395 28.738 -0.459 0.000 1.212 2253 Q HN 0.414 nan 8.270 nan 0.000 0.452 2254 F N 2.666 122.394 119.950 -0.370 0.000 2.443 2254 F HA 0.254 4.781 4.527 -0.001 0.000 0.353 2254 F C 0.392 176.128 175.800 -0.106 0.000 1.101 2254 F CA -0.010 57.873 58.000 -0.195 0.000 1.226 2254 F CB 1.164 39.956 39.000 -0.345 0.000 1.140 2254 F HN 0.559 nan 8.300 nan 0.000 0.557 2255 E N 1.548 121.878 120.200 0.217 0.000 2.290 2255 E HA 0.309 4.658 4.350 -0.001 0.000 0.274 2255 E C -1.257 175.436 176.600 0.156 0.000 0.889 2255 E CA -0.545 55.917 56.400 0.103 0.000 0.760 2255 E CB 0.930 30.585 29.700 -0.075 0.000 1.206 2255 E HN 0.492 nan 8.360 nan 0.000 0.419 2256 D N 2.269 122.734 120.400 0.108 0.000 2.708 2256 D HA -0.220 4.419 4.640 -0.001 0.000 0.236 2256 D C -0.838 175.492 176.300 0.050 0.000 1.146 2256 D CA 0.949 54.973 54.000 0.041 0.000 0.662 2256 D CB -1.335 39.434 40.800 -0.051 0.000 1.059 2256 D HN 0.226 nan 8.370 nan 0.000 0.428 2257 F N 0.519 120.473 119.950 0.006 0.000 2.370 2257 F HA 0.546 5.072 4.527 -0.001 0.000 0.319 2257 F C 1.999 177.793 175.800 -0.010 0.000 1.129 2257 F CA 0.118 58.152 58.000 0.057 0.000 1.109 2257 F CB 0.614 39.719 39.000 0.174 0.000 1.262 2257 F HN -0.039 nan 8.300 nan 0.000 0.534 2258 G N 0.999 109.902 108.800 0.172 0.000 2.699 2258 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.246 2258 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.246 2258 G C 0.950 175.873 174.900 0.037 0.000 1.219 2258 G CA -0.302 44.839 45.100 0.070 0.000 0.866 2258 G HN 0.728 nan 8.290 nan 0.000 0.572 2259 N N -0.326 118.386 118.700 0.021 0.000 2.018 2259 N HA -0.246 4.493 4.740 -0.001 0.000 0.196 2259 N C 1.869 177.423 175.510 0.074 0.000 1.043 2259 N CA 2.085 55.144 53.050 0.015 0.000 0.856 2259 N CB -0.430 38.108 38.487 0.085 0.000 1.042 2259 N HN 0.696 nan 8.380 nan 0.000 0.423 2260 H N 0.752 119.823 119.070 0.002 0.000 2.321 2260 H HA 0.042 4.598 4.556 -0.001 0.000 0.300 2260 H C 1.708 176.968 175.328 -0.114 0.000 1.087 2260 H CA 2.403 58.444 56.048 -0.012 0.000 1.319 2260 H CB -0.570 29.179 29.762 -0.021 0.000 1.379 2260 H HN 0.441 nan 8.280 nan 0.000 0.501 2261 N N -0.250 118.298 118.700 -0.253 0.000 2.188 2261 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 2261 N C 2.044 177.218 175.510 -0.560 0.000 1.018 2261 N CA 0.704 53.414 53.050 -0.566 0.000 0.858 2261 N CB -0.099 38.317 38.487 -0.118 0.000 0.989 2261 N HN 0.431 nan 8.380 nan 0.000 0.426 2262 A N 1.140 123.789 122.820 -0.285 0.000 1.865 2262 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 2262 A C 1.868 179.176 177.584 -0.460 0.000 1.191 2262 A CA 1.325 53.142 52.037 -0.367 0.000 0.623 2262 A CB -1.038 17.717 19.000 -0.408 0.000 0.826 2262 A HN 0.241 nan 8.150 nan 0.000 0.444 2263 F N -0.704 119.046 119.950 -0.335 0.000 2.113 2263 F HA -0.117 4.409 4.527 -0.001 0.000 0.297 2263 F C 2.559 178.196 175.800 -0.272 0.000 1.103 2263 F CA 1.667 59.447 58.000 -0.366 0.000 1.248 2263 F CB -0.219 38.359 39.000 -0.703 0.000 0.999 2263 F HN 0.162 nan 8.300 nan 0.000 0.475 2264 R N 0.346 120.739 120.500 -0.178 0.000 2.080 2264 R HA -0.188 4.151 4.340 -0.001 0.000 0.236 2264 R C 2.278 178.463 176.300 -0.191 0.000 1.137 2264 R CA 1.928 57.888 56.100 -0.234 0.000 0.943 2264 R CB -0.684 29.316 30.300 -0.499 0.000 0.846 2264 R HN 0.270 nan 8.270 nan 0.000 0.431 2265 F N 0.235 119.999 119.950 -0.309 0.000 2.186 2265 F HA -0.202 4.325 4.527 -0.001 0.000 0.299 2265 F C 2.278 177.804 175.800 -0.457 0.000 1.090 2265 F CA 0.044 57.782 58.000 -0.437 0.000 1.307 2265 F CB -0.170 38.486 39.000 -0.573 0.000 1.019 2265 F HN 0.167 nan 8.300 nan 0.000 0.489 2266 L N 0.917 121.996 121.223 -0.240 0.000 2.046 2266 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 2266 L C 2.363 179.226 176.870 -0.013 0.000 1.077 2266 L CA 1.785 56.526 54.840 -0.165 0.000 0.747 2266 L CB -0.685 41.300 42.059 -0.123 0.000 0.896 2266 L HN -0.030 nan 8.230 nan 0.000 0.432 2267 R N -0.688 119.818 120.500 0.009 0.000 2.153 2267 R HA -0.131 4.208 4.340 -0.001 0.000 0.218 2267 R C 2.368 178.656 176.300 -0.020 0.000 1.072 2267 R CA 1.118 57.243 56.100 0.042 0.000 0.990 2267 R CB -0.106 30.249 30.300 0.091 0.000 0.889 2267 R HN 0.389 nan 8.270 nan 0.000 0.452 2268 K N -0.760 119.565 120.400 -0.125 0.000 2.155 2268 K HA -0.123 4.196 4.320 -0.001 0.000 0.203 2268 K C 0.764 177.209 176.600 -0.258 0.000 1.052 2268 K CA 1.258 57.381 56.287 -0.274 0.000 0.948 2268 K CB 0.149 32.343 32.500 -0.510 0.000 0.728 2268 K HN 0.296 nan 8.250 nan 0.000 0.448 2269 Y N -0.064 120.295 120.300 0.098 0.000 2.430 2269 Y HA 0.122 4.671 4.550 -0.001 0.000 0.248 2269 Y C 1.934 177.951 175.900 0.195 0.000 1.108 2269 Y CA -0.399 57.810 58.100 0.181 0.000 1.264 2269 Y CB 0.404 39.018 38.460 0.256 0.000 1.172 2269 Y HN 0.018 nan 8.280 nan 0.000 0.520 2270 R N 0.681 121.344 120.500 0.271 0.000 2.127 2270 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 2270 R C 0.738 177.244 176.300 0.342 0.000 1.134 2270 R CA 1.793 58.063 56.100 0.284 0.000 0.975 2270 R CB -0.286 30.140 30.300 0.210 0.000 0.865 2270 R HN 0.186 nan 8.270 nan 0.000 0.447 2271 E N 0.519 120.835 120.200 0.193 0.000 2.472 2271 E HA 0.021 4.370 4.350 -0.001 0.000 0.196 2271 E C 1.087 177.699 176.600 0.019 0.000 1.033 2271 E CA 0.415 56.800 56.400 -0.025 0.000 0.886 2271 E CB 0.536 30.176 29.700 -0.100 0.000 0.944 2271 E HN 0.466 nan 8.360 nan 0.000 0.492 2272 K N -0.642 119.875 120.400 0.194 0.000 2.287 2272 K HA 0.085 4.404 4.320 -0.001 0.000 0.199 2272 K C -0.004 176.460 176.600 -0.227 0.000 1.061 2272 K CA 0.447 56.710 56.287 -0.039 0.000 0.976 2272 K CB 0.572 32.934 32.500 -0.230 0.000 0.898 2272 K HN -0.076 nan 8.250 nan 0.000 0.492 2273 Y N -1.601 118.826 120.300 0.212 0.000 2.698 2273 Y HA 0.300 4.849 4.550 -0.001 0.000 0.332 2273 Y C -0.604 175.213 175.900 -0.139 0.000 1.119 2273 Y CA -1.386 56.698 58.100 -0.027 0.000 1.109 2273 Y CB 1.166 39.610 38.460 -0.027 0.000 1.308 2273 Y HN -0.175 nan 8.280 nan 0.000 0.499 2274 C N 2.039 121.370 119.300 0.053 0.000 2.138 2274 C HA 0.623 5.082 4.460 -0.001 0.000 0.398 2274 C C -0.045 175.062 174.990 0.195 0.000 1.029 2274 C CA 0.110 59.151 59.018 0.038 0.000 1.426 2274 C CB -2.168 25.573 27.740 0.002 0.000 1.652 2274 C HN 0.678 nan 8.230 nan 0.000 0.486 2275 T N 3.890 118.616 114.554 0.286 0.000 2.896 2275 T HA 0.845 5.194 4.350 -0.001 0.000 0.297 2275 T C -0.976 173.997 174.700 0.456 0.000 1.108 2275 T CA -0.349 61.954 62.100 0.338 0.000 1.004 2275 T CB 1.334 70.393 68.868 0.318 0.000 1.159 2275 T HN 0.896 nan 8.240 nan 0.000 0.499 2276 F N 1.247 121.354 119.950 0.262 0.000 2.741 2276 F HA 0.658 5.184 4.527 -0.001 0.000 0.313 2276 F C -1.524 174.384 175.800 0.180 0.000 1.153 2276 F CA -1.178 56.960 58.000 0.230 0.000 0.931 2276 F CB 1.349 40.585 39.000 0.393 0.000 1.335 2276 F HN 0.479 nan 8.300 nan 0.000 0.460 2277 N N 1.865 120.654 118.700 0.148 0.000 2.442 2277 N HA 0.158 4.898 4.740 -0.001 0.000 0.274 2277 N C -0.173 175.397 175.510 0.099 0.000 1.002 2277 N CA -0.176 52.858 53.050 -0.028 0.000 0.910 2277 N CB 1.600 40.026 38.487 -0.102 0.000 1.244 2277 N HN 0.928 nan 8.380 nan 0.000 0.492 2278 D N 2.540 122.962 120.400 0.037 0.000 2.106 2278 D HA -0.185 4.454 4.640 -0.001 0.000 0.191 2278 D C 0.741 177.118 176.300 0.129 0.000 0.997 2278 D CA 1.545 55.676 54.000 0.218 0.000 0.834 2278 D CB 0.320 41.146 40.800 0.044 0.000 0.956 2278 D HN 0.581 nan 8.370 nan 0.000 0.448 2279 D N -0.499 119.924 120.400 0.038 0.000 2.182 2279 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 2279 D C 2.230 178.507 176.300 -0.039 0.000 0.986 2279 D CA 0.746 54.748 54.000 0.003 0.000 0.847 2279 D CB 0.113 40.891 40.800 -0.036 0.000 0.942 2279 D HN 0.409 nan 8.370 nan 0.000 0.467 2280 I N 0.145 120.660 120.570 -0.091 0.000 2.556 2280 I HA -0.140 4.029 4.170 -0.001 0.000 0.251 2280 I C 2.236 178.285 176.117 -0.113 0.000 1.105 2280 I CA 0.606 61.834 61.300 -0.120 0.000 1.436 2280 I CB 0.021 37.901 38.000 -0.200 0.000 1.139 2280 I HN -0.161 nan 8.210 nan 0.000 0.438 2281 Q N 0.440 120.121 119.800 -0.198 0.000 2.324 2281 Q HA 0.097 4.436 4.340 -0.001 0.000 0.207 2281 Q C 2.266 177.992 176.000 -0.455 0.000 0.928 2281 Q CA 0.985 56.448 55.803 -0.567 0.000 0.890 2281 Q CB -0.120 27.876 28.738 -1.237 0.000 1.001 2281 Q HN 0.504 nan 8.270 nan 0.000 0.517 2282 G N 0.420 109.192 108.800 -0.046 0.000 2.408 2282 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.217 2282 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.217 2282 G C 1.353 176.375 174.900 0.204 0.000 1.150 2282 G CA 1.296 46.549 45.100 0.254 0.000 0.776 2282 G HN 0.224 nan 8.290 nan 0.000 0.542 2283 T N 1.820 116.460 114.554 0.142 0.000 2.708 2283 T HA 0.013 4.363 4.350 -0.001 0.000 0.266 2283 T C 2.847 177.629 174.700 0.136 0.000 1.037 2283 T CA 1.471 63.654 62.100 0.138 0.000 1.146 2283 T CB -0.441 68.488 68.868 0.103 0.000 0.865 2283 T HN 0.358 nan 8.240 nan 0.000 0.435 2284 A N 1.756 124.629 122.820 0.088 0.000 1.892 2284 A HA -0.009 4.310 4.320 -0.001 0.000 0.218 2284 A C 2.672 180.346 177.584 0.151 0.000 1.188 2284 A CA 2.201 54.301 52.037 0.104 0.000 0.631 2284 A CB -1.288 17.737 19.000 0.041 0.000 0.822 2284 A HN 0.533 nan 8.150 nan 0.000 0.447 2285 A N -0.582 122.339 122.820 0.168 0.000 1.877 2285 A HA -0.015 4.304 4.320 -0.001 0.000 0.216 2285 A C 2.253 179.953 177.584 0.194 0.000 1.186 2285 A CA 2.057 54.216 52.037 0.203 0.000 0.620 2285 A CB -1.099 18.068 19.000 0.278 0.000 0.822 2285 A HN 0.580 nan 8.150 nan 0.000 0.443 2286 V N -0.098 119.932 119.914 0.194 0.000 2.295 2286 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 2286 V C 2.993 179.261 176.094 0.289 0.000 1.049 2286 V CA 1.914 64.329 62.300 0.192 0.000 1.024 2286 V CB -1.641 30.234 31.823 0.086 0.000 0.648 2286 V HN 0.598 nan 8.190 nan 0.000 0.447 2287 A N 0.425 123.409 122.820 0.272 0.000 1.865 2287 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 2287 A C 2.215 180.016 177.584 0.362 0.000 1.191 2287 A CA 2.247 54.514 52.037 0.384 0.000 0.623 2287 A CB -0.712 18.504 19.000 0.360 0.000 0.826 2287 A HN 0.463 nan 8.150 nan 0.000 0.444 2288 L N -0.090 121.280 121.223 0.244 0.000 2.012 2288 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 2288 L C 2.677 179.632 176.870 0.142 0.000 1.073 2288 L CA 2.415 57.356 54.840 0.169 0.000 0.748 2288 L CB -0.876 41.264 42.059 0.134 0.000 0.891 2288 L HN 0.369 nan 8.230 nan 0.000 0.431 2289 A N -0.569 122.346 122.820 0.158 0.000 1.940 2289 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 2289 A C 2.346 179.918 177.584 -0.019 0.000 1.176 2289 A CA 1.752 53.844 52.037 0.091 0.000 0.631 2289 A CB -1.621 17.470 19.000 0.152 0.000 0.814 2289 A HN 0.568 nan 8.150 nan 0.000 0.446 2290 G N -0.585 108.247 108.800 0.052 0.000 2.402 2290 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.216 2290 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.216 2290 G C 1.307 176.301 174.900 0.156 0.000 1.162 2290 G CA 1.055 46.096 45.100 -0.098 0.000 0.777 2290 G HN 0.349 nan 8.290 nan 0.000 0.539 2291 L N -0.080 121.255 121.223 0.186 0.000 2.141 2291 L HA 0.103 4.443 4.340 -0.001 0.000 0.209 2291 L C 2.719 179.585 176.870 -0.008 0.000 1.094 2291 L CA 0.809 55.664 54.840 0.025 0.000 0.763 2291 L CB -0.862 41.177 42.059 -0.033 0.000 0.908 2291 L HN 0.101 nan 8.230 nan 0.000 0.437 2292 L N -0.760 120.461 121.223 -0.004 0.000 2.027 2292 L HA -0.087 4.252 4.340 -0.001 0.000 0.206 2292 L C 2.620 179.475 176.870 -0.026 0.000 1.074 2292 L CA 1.864 56.693 54.840 -0.019 0.000 0.745 2292 L CB -1.243 40.809 42.059 -0.011 0.000 0.898 2292 L HN 0.211 nan 8.230 nan 0.000 0.433 2293 A N -0.675 122.111 122.820 -0.057 0.000 1.908 2293 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 2293 A C 2.487 180.059 177.584 -0.021 0.000 1.181 2293 A CA 1.873 53.869 52.037 -0.069 0.000 0.627 2293 A CB -0.971 17.928 19.000 -0.169 0.000 0.818 2293 A HN 0.402 nan 8.150 nan 0.000 0.445 2294 A N -0.924 121.897 122.820 0.002 0.000 1.865 2294 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 2294 A C 2.141 179.751 177.584 0.042 0.000 1.191 2294 A CA 2.174 54.234 52.037 0.038 0.000 0.623 2294 A CB -0.645 18.384 19.000 0.048 0.000 0.826 2294 A HN 0.523 nan 8.150 nan 0.000 0.444 2295 Q N 0.162 119.983 119.800 0.035 0.000 2.248 2295 Q HA -0.177 4.163 4.340 -0.001 0.000 0.208 2295 Q C 1.843 177.868 176.000 0.041 0.000 0.984 2295 Q CA 2.103 57.939 55.803 0.054 0.000 0.875 2295 Q CB -0.358 28.391 28.738 0.017 0.000 0.910 2295 Q HN 0.710 nan 8.270 nan 0.000 0.433 2296 K N -0.904 119.511 120.400 0.024 0.000 2.057 2296 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 2296 K C 2.015 178.633 176.600 0.030 0.000 1.049 2296 K CA 1.512 57.812 56.287 0.022 0.000 0.931 2296 K CB -0.362 32.145 32.500 0.012 0.000 0.714 2296 K HN 0.255 nan 8.250 nan 0.000 0.440 2297 V N 1.079 121.014 119.914 0.036 0.000 2.379 2297 V HA -0.126 3.993 4.120 -0.001 0.000 0.243 2297 V C 1.860 177.977 176.094 0.038 0.000 1.035 2297 V CA 1.176 63.501 62.300 0.041 0.000 1.035 2297 V CB -0.111 31.744 31.823 0.054 0.000 0.673 2297 V HN 0.223 nan 8.190 nan 0.000 0.457 2298 I N 0.266 120.861 120.570 0.042 0.000 2.233 2298 I HA -0.100 4.069 4.170 -0.001 0.000 0.243 2298 I C 1.785 177.922 176.117 0.034 0.000 1.093 2298 I CA 1.268 62.588 61.300 0.033 0.000 1.380 2298 I CB -0.432 37.591 38.000 0.037 0.000 1.067 2298 I HN 0.424 nan 8.210 nan 0.000 0.413 2299 S N 0.648 116.380 115.700 0.053 0.000 3.521 2299 S HA -0.227 4.242 4.470 -0.001 0.000 0.328 2299 S C 0.479 175.111 174.600 0.053 0.000 1.165 2299 S CA 0.795 59.026 58.200 0.051 0.000 0.941 2299 S CB -1.440 61.779 63.200 0.033 0.000 0.951 2299 S HN 0.559 nan 8.310 nan 0.000 0.539 2300 K N 1.470 121.911 120.400 0.068 0.000 2.202 2300 K HA 0.348 4.667 4.320 -0.001 0.000 0.264 2300 K C -2.819 173.836 176.600 0.091 0.000 1.010 2300 K CA -1.823 54.481 56.287 0.027 0.000 0.940 2300 K CB 0.480 32.918 32.500 -0.103 0.000 0.983 2300 K HN -0.112 nan 8.250 nan 0.000 0.475 2301 P HA -0.005 nan 4.420 nan 0.000 0.267 2301 P C 0.187 177.577 177.300 0.150 0.000 1.209 2301 P CA -0.052 63.093 63.100 0.076 0.000 0.763 2301 P CB 0.434 32.155 31.700 0.035 0.000 0.816 2302 I N 3.650 124.326 120.570 0.176 0.000 2.800 2302 I HA -0.231 3.938 4.170 -0.001 0.000 0.266 2302 I C 1.667 177.878 176.117 0.156 0.000 1.249 2302 I CA 1.580 63.008 61.300 0.213 0.000 1.458 2302 I CB -0.502 37.547 38.000 0.083 0.000 1.093 2302 I HN 0.283 nan 8.210 nan 0.000 0.466 2303 S N -1.158 114.601 115.700 0.098 0.000 2.489 2303 S HA -0.011 4.458 4.470 -0.001 0.000 0.228 2303 S C 1.538 176.170 174.600 0.053 0.000 0.995 2303 S CA 0.530 58.769 58.200 0.065 0.000 0.934 2303 S CB -0.396 62.828 63.200 0.041 0.000 0.771 2303 S HN 0.618 nan 8.310 nan 0.000 0.522 2304 E N -0.129 120.094 120.200 0.038 0.000 2.481 2304 E HA 0.152 4.501 4.350 -0.001 0.000 0.198 2304 E C -0.566 175.991 176.600 -0.072 0.000 1.027 2304 E CA -0.125 56.258 56.400 -0.030 0.000 0.900 2304 E CB 0.123 29.777 29.700 -0.078 0.000 0.993 2304 E HN 0.631 nan 8.360 nan 0.000 0.482 2305 H N 1.579 120.653 119.070 0.007 0.000 2.782 2305 H HA 0.183 4.738 4.556 -0.001 0.000 0.285 2305 H C -0.459 174.886 175.328 0.029 0.000 1.093 2305 H CA 0.074 56.125 56.048 0.004 0.000 1.410 2305 H CB 0.492 30.258 29.762 0.007 0.000 1.439 2305 H HN -0.148 nan 8.280 nan 0.000 0.469 2306 K N 4.677 125.138 120.400 0.102 0.000 2.413 2306 K HA 0.425 4.744 4.320 -0.001 0.000 0.257 2306 K C -1.265 175.391 176.600 0.093 0.000 0.946 2306 K CA -0.447 55.914 56.287 0.123 0.000 0.823 2306 K CB 0.829 33.370 32.500 0.069 0.000 1.109 2306 K HN 0.490 nan 8.250 nan 0.000 0.427 2307 I N 4.493 125.152 120.570 0.147 0.000 2.525 2307 I HA 0.446 4.616 4.170 -0.001 0.000 0.301 2307 I C -1.052 175.127 176.117 0.103 0.000 0.992 2307 I CA -1.419 59.902 61.300 0.035 0.000 1.162 2307 I CB 1.696 39.683 38.000 -0.023 0.000 1.332 2307 I HN 0.508 nan 8.210 nan 0.000 0.458 2308 L N 5.814 127.014 121.223 -0.039 0.000 2.476 2308 L HA 0.541 4.880 4.340 -0.001 0.000 0.269 2308 L C -1.640 175.296 176.870 0.110 0.000 0.965 2308 L CA 0.028 54.953 54.840 0.142 0.000 0.845 2308 L CB 1.394 43.499 42.059 0.076 0.000 1.259 2308 L HN 0.256 nan 8.230 nan 0.000 0.403 2309 F N 4.846 125.012 119.950 0.360 0.000 2.399 2309 F HA 0.528 5.054 4.527 -0.001 0.000 0.334 2309 F C -0.091 175.956 175.800 0.412 0.000 1.097 2309 F CA -0.442 57.753 58.000 0.324 0.000 1.076 2309 F CB 1.658 40.773 39.000 0.192 0.000 1.162 2309 F HN 0.380 nan 8.300 nan 0.000 0.495 2310 L N 3.539 125.011 121.223 0.415 0.000 2.259 2310 L HA 0.765 5.104 4.340 -0.001 0.000 0.288 2310 L C -0.059 176.917 176.870 0.176 0.000 1.051 2310 L CA 0.163 55.083 54.840 0.133 0.000 0.824 2310 L CB 0.146 41.992 42.059 -0.355 0.000 1.206 2310 L HN 0.743 nan 8.230 nan 0.000 0.429 2311 G N 3.752 112.689 108.800 0.229 0.000 2.674 2311 G HA2 0.367 4.327 3.960 -0.001 0.000 0.686 2311 G HA3 0.367 4.327 3.960 -0.001 0.000 0.686 2311 G C -0.585 174.397 174.900 0.137 0.000 1.195 2311 G CA -0.404 44.776 45.100 0.134 0.000 0.776 2311 G HN 1.391 nan 8.290 nan 0.000 0.654 2312 A N 0.955 123.818 122.820 0.072 0.000 3.176 2312 A HA 0.845 5.164 4.320 -0.001 0.000 0.265 2312 A C 0.954 178.553 177.584 0.024 0.000 0.936 2312 A CA 1.015 53.067 52.037 0.025 0.000 1.033 2312 A CB 0.015 19.047 19.000 0.054 0.000 1.158 2312 A HN 2.227 nan 8.150 nan 0.000 0.485 2313 G N -0.728 108.090 108.800 0.030 0.000 2.890 2313 G HA2 0.442 4.401 3.960 -0.001 0.000 0.189 2313 G HA3 0.442 4.401 3.960 -0.001 0.000 0.189 2313 G C 0.556 175.531 174.900 0.126 0.000 1.342 2313 G CA 0.030 45.179 45.100 0.082 0.000 1.026 2313 G HN 0.316 nan 8.290 nan 0.000 0.579 2314 E N -0.330 119.904 120.200 0.057 0.000 2.055 2314 E HA -0.280 4.069 4.350 -0.001 0.000 0.209 2314 E C 2.756 179.336 176.600 -0.034 0.000 1.036 2314 E CA 1.747 58.073 56.400 -0.124 0.000 0.849 2314 E CB -0.263 29.265 29.700 -0.287 0.000 0.767 2314 E HN 0.386 nan 8.360 nan 0.000 0.461 2315 A N 0.995 123.796 122.820 -0.032 0.000 1.930 2315 A HA -0.029 4.291 4.320 -0.001 0.000 0.217 2315 A C 2.338 179.893 177.584 -0.049 0.000 1.175 2315 A CA 1.580 53.612 52.037 -0.009 0.000 0.627 2315 A CB -0.582 18.436 19.000 0.030 0.000 0.815 2315 A HN 0.308 nan 8.150 nan 0.000 0.443 2316 A N -0.016 122.732 122.820 -0.121 0.000 1.877 2316 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 2316 A C 2.164 179.385 177.584 -0.605 0.000 1.186 2316 A CA 1.540 53.298 52.037 -0.465 0.000 0.620 2316 A CB -0.657 18.116 19.000 -0.378 0.000 0.822 2316 A HN 0.462 nan 8.150 nan 0.000 0.443 2317 L N -0.748 120.312 121.223 -0.272 0.000 2.056 2317 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 2317 L C 2.837 179.665 176.870 -0.070 0.000 1.078 2317 L CA 1.051 55.776 54.840 -0.191 0.000 0.749 2317 L CB -0.814 41.266 42.059 0.036 0.000 0.901 2317 L HN 0.497 nan 8.230 nan 0.000 0.433 2318 G N 0.290 109.104 108.800 0.023 0.000 2.404 2318 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 2318 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 2318 G C 1.602 176.507 174.900 0.008 0.000 1.174 2318 G CA 0.618 45.743 45.100 0.042 0.000 0.780 2318 G HN 0.248 nan 8.290 nan 0.000 0.537 2319 I N 1.402 121.959 120.570 -0.021 0.000 2.179 2319 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 2319 I C 3.301 179.456 176.117 0.063 0.000 1.088 2319 I CA 1.064 62.409 61.300 0.074 0.000 1.357 2319 I CB -0.201 37.924 38.000 0.209 0.000 1.051 2319 I HN 0.243 nan 8.210 nan 0.000 0.409 2320 A N 0.737 123.450 122.820 -0.179 0.000 1.933 2320 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 2320 A C 2.065 179.675 177.584 0.044 0.000 1.175 2320 A CA 1.811 53.730 52.037 -0.197 0.000 0.628 2320 A CB -0.661 17.766 19.000 -0.955 0.000 0.814 2320 A HN 0.431 nan 8.150 nan 0.000 0.444 2321 N N -0.569 118.178 118.700 0.078 0.000 2.244 2321 N HA -0.094 4.645 4.740 -0.001 0.000 0.183 2321 N C 1.487 177.095 175.510 0.164 0.000 1.016 2321 N CA 1.196 54.372 53.050 0.211 0.000 0.866 2321 N CB -0.259 38.344 38.487 0.194 0.000 0.980 2321 N HN 0.414 nan 8.380 nan 0.000 0.430 2322 L N 0.911 122.212 121.223 0.130 0.000 2.270 2322 L HA 0.189 4.528 4.340 -0.001 0.000 0.210 2322 L C 1.923 178.869 176.870 0.127 0.000 1.104 2322 L CA 0.637 55.553 54.840 0.126 0.000 0.804 2322 L CB -0.114 42.017 42.059 0.120 0.000 0.937 2322 L HN 0.030 nan 8.230 nan 0.000 0.450 2323 I N -1.526 119.130 120.570 0.144 0.000 2.252 2323 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 2323 I C 1.192 177.388 176.117 0.132 0.000 1.102 2323 I CA 0.212 61.593 61.300 0.135 0.000 1.385 2323 I CB -0.152 37.952 38.000 0.173 0.000 1.064 2323 I HN -0.098 nan 8.210 nan 0.000 0.414 2329 E N 0.956 121.180 120.200 0.041 0.000 2.265 2329 E HA -0.150 4.200 4.350 -0.001 0.000 0.196 2329 E C 1.168 177.787 176.600 0.032 0.000 0.996 2329 E CA 1.222 57.645 56.400 0.040 0.000 0.832 2329 E CB 0.083 29.809 29.700 0.044 0.000 0.756 2329 E HN 0.587 nan 8.360 nan 0.000 0.491 2330 N N -0.838 117.880 118.700 0.029 0.000 2.251 2330 N HA 0.073 4.812 4.740 -0.001 0.000 0.217 2330 N C 0.520 176.045 175.510 0.025 0.000 1.124 2330 N CA 0.724 53.788 53.050 0.024 0.000 0.843 2330 N CB 1.497 39.995 38.487 0.018 0.000 1.024 2330 N HN 0.326 nan 8.380 nan 0.000 0.501 2331 G N 0.378 109.193 108.800 0.026 0.000 2.882 2331 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.198 2331 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.198 2331 G C -0.293 174.622 174.900 0.023 0.000 1.977 2331 G CA -0.588 44.526 45.100 0.024 0.000 1.541 2331 G HN 0.158 nan 8.290 nan 0.000 0.567 2332 L N 2.895 124.134 121.223 0.026 0.000 2.558 2332 L HA 0.379 4.719 4.340 -0.001 0.000 0.301 2332 L C 1.699 178.583 176.870 0.022 0.000 1.267 2332 L CA 1.044 55.900 54.840 0.025 0.000 0.854 2332 L CB 0.110 42.189 42.059 0.033 0.000 1.103 2332 L HN 0.891 nan 8.230 nan 0.000 0.522 2333 S N 0.526 116.235 115.700 0.016 0.000 2.634 2333 S HA 0.165 4.634 4.470 -0.001 0.000 0.261 2333 S C 0.983 175.589 174.600 0.011 0.000 1.271 2333 S CA 0.008 58.214 58.200 0.010 0.000 0.985 2333 S CB 0.712 63.913 63.200 0.001 0.000 0.968 2333 S HN 0.737 nan 8.310 nan 0.000 0.568 2334 E N 0.037 120.239 120.200 0.003 0.000 2.106 2334 E HA -0.251 4.098 4.350 -0.001 0.000 0.192 2334 E C 2.044 178.631 176.600 -0.021 0.000 0.984 2334 E CA 1.178 57.578 56.400 -0.001 0.000 0.806 2334 E CB -0.266 29.427 29.700 -0.012 0.000 0.750 2334 E HN 0.815 nan 8.360 nan 0.000 0.458 2335 Q N 0.130 119.911 119.800 -0.031 0.000 2.167 2335 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 2335 Q C 1.741 177.723 176.000 -0.030 0.000 0.970 2335 Q CA 1.457 57.233 55.803 -0.045 0.000 0.855 2335 Q CB 0.140 28.853 28.738 -0.043 0.000 0.911 2335 Q HN 0.396 nan 8.270 nan 0.000 0.438 2336 E N -0.160 120.032 120.200 -0.012 0.000 2.107 2336 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 2336 E C 1.855 178.463 176.600 0.014 0.000 0.982 2336 E CA 0.769 57.166 56.400 -0.004 0.000 0.809 2336 E CB -0.024 29.680 29.700 0.007 0.000 0.756 2336 E HN 0.431 nan 8.360 nan 0.000 0.459 2337 A N 1.392 124.232 122.820 0.033 0.000 1.873 2337 A HA -0.222 4.097 4.320 -0.001 0.000 0.215 2337 A C 2.049 179.702 177.584 0.115 0.000 1.186 2337 A CA 1.194 53.276 52.037 0.075 0.000 0.616 2337 A CB -0.417 18.634 19.000 0.085 0.000 0.823 2337 A HN 0.143 nan 8.150 nan 0.000 0.442 2338 Q N -0.772 119.076 119.800 0.079 0.000 2.234 2338 Q HA -0.175 4.164 4.340 -0.001 0.000 0.206 2338 Q C 1.717 177.806 176.000 0.149 0.000 0.980 2338 Q CA 1.496 57.361 55.803 0.103 0.000 0.869 2338 Q CB -0.152 28.464 28.738 -0.203 0.000 0.912 2338 Q HN 0.405 nan 8.270 nan 0.000 0.436 2339 K N 0.784 121.159 120.400 -0.042 0.000 2.365 2339 K HA -0.019 4.300 4.320 -0.001 0.000 0.199 2339 K C 1.102 177.563 176.600 -0.232 0.000 1.045 2339 K CA 0.790 56.833 56.287 -0.406 0.000 0.962 2339 K CB 0.300 32.637 32.500 -0.273 0.000 0.759 2339 K HN 0.037 nan 8.250 nan 0.000 0.469 2340 K N -0.194 120.227 120.400 0.035 0.000 2.404 2340 K HA 0.194 4.513 4.320 -0.001 0.000 0.194 2340 K C -0.270 176.501 176.600 0.285 0.000 1.023 2340 K CA 0.214 56.599 56.287 0.163 0.000 1.094 2340 K CB 0.470 33.059 32.500 0.150 0.000 0.841 2340 K HN 0.056 nan 8.250 nan 0.000 0.523 2341 I N 0.658 121.416 120.570 0.314 0.000 2.436 2341 I HA 0.263 4.432 4.170 -0.001 0.000 0.289 2341 I C -0.915 175.466 176.117 0.441 0.000 1.010 2341 I CA -0.893 60.677 61.300 0.450 0.000 1.098 2341 I CB 1.110 39.414 38.000 0.508 0.000 1.266 2341 I HN -0.051 nan 8.210 nan 0.000 0.434 2345 D N 4.210 124.584 120.400 -0.042 0.000 2.567 2345 D HA 0.255 4.894 4.640 -0.001 0.000 0.275 2345 D C 0.958 177.155 176.300 -0.171 0.000 1.195 2345 D CA -0.186 53.795 54.000 -0.032 0.000 1.087 2345 D CB 0.606 41.400 40.800 -0.011 0.000 1.165 2345 D HN 0.581 nan 8.370 nan 0.000 0.609 2346 K N -0.858 119.404 120.400 -0.231 0.000 2.211 2346 K HA -0.185 4.135 4.320 -0.001 0.000 0.204 2346 K C 1.537 177.869 176.600 -0.447 0.000 1.047 2346 K CA 1.354 57.424 56.287 -0.362 0.000 0.935 2346 K CB -0.650 31.528 32.500 -0.537 0.000 0.728 2346 K HN 0.428 nan 8.250 nan 0.000 0.452 2347 Y N 1.057 121.294 120.300 -0.105 0.000 2.466 2347 Y HA 0.205 4.754 4.550 -0.001 0.000 0.272 2347 Y C 1.238 177.017 175.900 -0.203 0.000 1.169 2347 Y CA -0.011 58.024 58.100 -0.107 0.000 1.285 2347 Y CB 1.021 39.438 38.460 -0.072 0.000 1.078 2347 Y HN 0.420 nan 8.280 nan 0.000 0.523 2348 G N 0.354 108.931 108.800 -0.371 0.000 2.306 2348 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.262 2348 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.262 2348 G C -1.702 172.629 174.900 -0.949 0.000 1.263 2348 G CA -1.000 43.616 45.100 -0.806 0.000 1.088 2348 G HN -0.012 nan 8.290 nan 0.000 0.489 2349 L N 0.709 121.615 121.223 -0.528 0.000 2.416 2349 L HA 0.555 4.894 4.340 -0.001 0.000 0.272 2349 L C 0.684 177.617 176.870 0.105 0.000 1.161 2349 L CA -0.620 54.242 54.840 0.037 0.000 0.845 2349 L CB 0.541 42.811 42.059 0.351 0.000 1.119 2349 L HN 0.497 nan 8.230 nan 0.000 0.464 2350 L N 7.231 128.570 121.223 0.194 0.000 2.385 2350 L HA 0.260 4.599 4.340 -0.001 0.000 0.285 2350 L C -0.147 176.823 176.870 0.167 0.000 1.125 2350 L CA -0.008 54.919 54.840 0.146 0.000 0.890 2350 L CB 0.010 42.147 42.059 0.129 0.000 1.251 2350 L HN 0.568 nan 8.230 nan 0.000 0.445 2351 V N 1.222 121.218 119.914 0.136 0.000 2.914 2351 V HA 0.530 4.649 4.120 -0.001 0.000 0.314 2351 V C 0.152 176.285 176.094 0.064 0.000 1.084 2351 V CA -1.409 60.975 62.300 0.140 0.000 0.963 2351 V CB 2.162 34.111 31.823 0.209 0.000 1.025 2351 V HN 0.580 nan 8.190 nan 0.000 0.432 2352 K N 2.229 122.656 120.400 0.044 0.000 2.489 2352 K HA 0.417 4.736 4.320 -0.001 0.000 0.278 2352 K C 1.148 177.763 176.600 0.024 0.000 1.000 2352 K CA 0.962 57.259 56.287 0.016 0.000 1.012 2352 K CB 0.328 32.835 32.500 0.011 0.000 0.903 2352 K HN 1.731 nan 8.250 nan 0.000 0.485 2353 G N 2.150 110.954 108.800 0.007 0.000 2.160 2353 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.251 2353 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.251 2353 G C 0.006 174.910 174.900 0.007 0.000 1.008 2353 G CA 0.642 45.745 45.100 0.005 0.000 0.724 2353 G HN 0.743 nan 8.290 nan 0.000 0.514 2354 R N -0.899 119.606 120.500 0.009 0.000 2.531 2354 R HA 0.697 5.037 4.340 -0.001 0.000 0.273 2354 R C 1.488 177.776 176.300 -0.021 0.000 1.070 2354 R CA 0.009 56.113 56.100 0.007 0.000 1.112 2354 R CB 0.740 31.052 30.300 0.020 0.000 1.049 2354 R HN 0.001 nan 8.270 nan 0.000 0.508 2355 K N 2.219 122.602 120.400 -0.029 0.000 2.044 2355 K HA -0.114 4.206 4.320 -0.001 0.000 0.210 2355 K C 0.396 176.931 176.600 -0.109 0.000 1.049 2355 K CA 1.900 58.151 56.287 -0.060 0.000 0.927 2355 K CB -0.475 31.991 32.500 -0.057 0.000 0.713 2355 K HN 0.731 nan 8.250 nan 0.000 0.443 2356 A N 1.393 124.129 122.820 -0.141 0.000 2.386 2356 A HA 0.213 4.532 4.320 -0.001 0.000 0.248 2356 A C -0.349 177.153 177.584 -0.138 0.000 1.082 2356 A CA -0.506 51.383 52.037 -0.247 0.000 0.789 2356 A CB 0.203 19.000 19.000 -0.338 0.000 1.025 2356 A HN 0.169 nan 8.150 nan 0.000 0.490 2357 K N 0.056 120.365 120.400 -0.151 0.000 2.286 2357 K HA 0.335 4.655 4.320 -0.001 0.000 0.256 2357 K C -0.561 176.026 176.600 -0.022 0.000 0.999 2357 K CA 0.483 56.726 56.287 -0.074 0.000 0.908 2357 K CB 0.232 32.691 32.500 -0.069 0.000 0.981 2357 K HN 0.567 nan 8.250 nan 0.000 0.500 2358 I N 1.945 122.506 120.570 -0.016 0.000 2.611 2358 I HA -0.004 4.165 4.170 -0.001 0.000 0.287 2358 I C -0.405 175.710 176.117 -0.002 0.000 1.184 2358 I CA -0.945 60.355 61.300 0.001 0.000 1.054 2358 I CB 1.980 39.975 38.000 -0.009 0.000 1.257 2358 I HN 0.642 nan 8.210 nan 0.000 0.435 2359 D N 3.697 124.109 120.400 0.019 0.000 2.398 2359 D HA 0.061 4.700 4.640 -0.001 0.000 0.247 2359 D C 1.306 177.618 176.300 0.020 0.000 1.227 2359 D CA -0.205 53.816 54.000 0.036 0.000 0.980 2359 D CB 0.777 41.626 40.800 0.082 0.000 1.106 2359 D HN 0.475 nan 8.370 nan 0.000 0.493 2360 S N -0.722 114.983 115.700 0.008 0.000 2.400 2360 S HA -0.265 4.204 4.470 -0.001 0.000 0.232 2360 S C 1.796 176.268 174.600 -0.214 0.000 1.025 2360 S CA 0.845 58.964 58.200 -0.136 0.000 0.993 2360 S CB -0.956 62.099 63.200 -0.243 0.000 0.808 2360 S HN 0.577 nan 8.310 nan 0.000 0.478 2361 Y N 1.804 121.994 120.300 -0.184 0.000 2.420 2361 Y HA 0.205 4.755 4.550 -0.001 0.000 0.292 2361 Y C 2.806 178.667 175.900 -0.065 0.000 1.119 2361 Y CA 0.622 58.597 58.100 -0.208 0.000 1.229 2361 Y CB -0.491 37.666 38.460 -0.505 0.000 1.026 2361 Y HN 0.351 nan 8.280 nan 0.000 0.554 2362 Q N -0.225 119.635 119.800 0.100 0.000 2.212 2362 Q HA -0.135 4.204 4.340 -0.001 0.000 0.199 2362 Q C 2.141 178.175 176.000 0.056 0.000 0.950 2362 Q CA 0.653 56.528 55.803 0.120 0.000 0.863 2362 Q CB -0.035 28.742 28.738 0.064 0.000 0.944 2362 Q HN 0.353 nan 8.270 nan 0.000 0.465 2363 E N 1.367 121.544 120.200 -0.038 0.000 2.108 2363 E HA -0.213 4.136 4.350 -0.001 0.000 0.203 2363 E C -0.891 175.575 176.600 -0.223 0.000 1.022 2363 E CA 1.773 58.102 56.400 -0.117 0.000 0.823 2363 E CB -0.987 28.641 29.700 -0.121 0.000 0.744 2363 E HN 0.220 nan 8.360 nan 0.000 0.456 2364 P HA -0.137 nan 4.420 nan 0.000 0.220 2364 P C 0.452 177.243 177.300 -0.848 0.000 1.144 2364 P CA 1.289 64.040 63.100 -0.583 0.000 0.800 2364 P CB -0.239 31.018 31.700 -0.737 0.000 0.772 2365 F N -3.185 116.587 119.950 -0.298 0.000 2.683 2365 F HA 0.207 4.733 4.527 -0.001 0.000 0.306 2365 F C 0.557 175.861 175.800 -0.827 0.000 1.102 2365 F CA -0.145 57.569 58.000 -0.476 0.000 1.244 2365 F CB -0.366 38.535 39.000 -0.165 0.000 1.029 2365 F HN -0.392 nan 8.300 nan 0.000 0.545 2366 T N 2.053 116.278 114.554 -0.548 0.000 2.762 2366 T HA 0.264 4.613 4.350 -0.001 0.000 0.303 2366 T C -0.145 174.225 174.700 -0.550 0.000 0.977 2366 T CA -0.191 61.667 62.100 -0.402 0.000 0.961 2366 T CB 0.109 68.874 68.868 -0.171 0.000 0.944 2366 T HN 0.103 nan 8.240 nan 0.000 0.481 2367 H N 0.808 119.730 119.070 -0.246 0.000 2.630 2367 H HA 0.434 4.989 4.556 -0.001 0.000 0.343 2367 H C 0.392 175.685 175.328 -0.057 0.000 1.232 2367 H CA -1.027 54.856 56.048 -0.274 0.000 1.294 2367 H CB 0.912 30.267 29.762 -0.680 0.000 1.746 2367 H HN 0.415 nan 8.280 nan 0.000 0.593 2368 S N 0.541 116.331 115.700 0.149 0.000 2.546 2368 S HA 0.196 4.666 4.470 -0.001 0.000 0.290 2368 S C 0.506 175.266 174.600 0.267 0.000 1.290 2368 S CA -0.502 57.792 58.200 0.157 0.000 1.069 2368 S CB 0.233 63.508 63.200 0.124 0.000 0.846 2368 S HN 0.705 nan 8.310 nan 0.000 0.495 2369 A N 5.633 128.582 122.820 0.215 0.000 2.546 2369 A HA 0.338 4.657 4.320 -0.001 0.000 0.243 2369 A C -1.112 176.597 177.584 0.209 0.000 1.063 2369 A CA -0.868 51.310 52.037 0.235 0.000 0.757 2369 A CB -0.537 18.552 19.000 0.148 0.000 0.991 2369 A HN 0.617 nan 8.150 nan 0.000 0.503 2370 P HA 0.192 nan 4.420 nan 0.000 0.275 2370 P C 0.394 177.722 177.300 0.047 0.000 1.266 2370 P CA -0.276 62.881 63.100 0.094 0.000 0.793 2370 P CB 0.543 32.215 31.700 -0.047 0.000 1.074 2371 E N -0.518 119.693 120.200 0.018 0.000 2.196 2371 E HA -0.203 4.146 4.350 -0.001 0.000 0.222 2371 E C 0.927 177.535 176.600 0.012 0.000 1.072 2371 E CA 1.862 58.268 56.400 0.009 0.000 0.902 2371 E CB -0.609 29.084 29.700 -0.011 0.000 0.780 2371 E HN 0.420 nan 8.360 nan 0.000 0.467 2372 S N -1.340 114.361 115.700 0.002 0.000 2.570 2372 S HA 0.471 4.940 4.470 -0.001 0.000 0.286 2372 S C -1.064 173.551 174.600 0.026 0.000 1.099 2372 S CA -0.927 57.280 58.200 0.011 0.000 0.913 2372 S CB 0.768 63.966 63.200 -0.003 0.000 1.085 2372 S HN 0.063 nan 8.310 nan 0.000 0.480 2373 I N 5.204 125.802 120.570 0.047 0.000 2.281 2373 I HA 0.297 4.466 4.170 -0.001 0.000 0.293 2373 I C -1.939 174.230 176.117 0.087 0.000 1.085 2373 I CA -2.340 59.005 61.300 0.076 0.000 1.257 2373 I CB 0.301 38.348 38.000 0.079 0.000 1.430 2373 I HN 0.471 nan 8.210 nan 0.000 0.489 2374 P HA 0.076 nan 4.420 nan 0.000 0.267 2374 P C 0.057 177.494 177.300 0.229 0.000 1.209 2374 P CA 0.008 63.179 63.100 0.118 0.000 0.763 2374 P CB 1.534 33.281 31.700 0.078 0.000 0.816 2375 D N 1.010 121.511 120.400 0.168 0.000 2.213 2375 D HA -0.024 4.616 4.640 -0.001 0.000 0.205 2375 D C 1.086 177.565 176.300 0.299 0.000 0.961 2375 D CA 1.381 55.501 54.000 0.200 0.000 0.853 2375 D CB 0.378 41.249 40.800 0.120 0.000 0.967 2375 D HN 0.509 nan 8.370 nan 0.000 0.496 2376 T N -3.293 111.382 114.554 0.202 0.000 2.926 2376 T HA 0.256 4.605 4.350 -0.001 0.000 0.289 2376 T C 0.664 175.247 174.700 -0.195 0.000 1.054 2376 T CA -0.846 61.341 62.100 0.144 0.000 1.015 2376 T CB 1.414 70.326 68.868 0.073 0.000 1.167 2376 T HN -0.172 nan 8.240 nan 0.000 0.526 2377 F N 0.609 120.232 119.950 -0.545 0.000 2.216 2377 F HA 0.056 4.583 4.527 -0.001 0.000 0.300 2377 F C 2.332 177.880 175.800 -0.420 0.000 1.085 2377 F CA 1.727 59.213 58.000 -0.858 0.000 1.326 2377 F CB -0.162 38.534 39.000 -0.506 0.000 1.027 2377 F HN 0.903 nan 8.300 nan 0.000 0.497 2378 E N 0.052 120.141 120.200 -0.186 0.000 2.031 2378 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 2378 E C 1.816 178.268 176.600 -0.248 0.000 0.994 2378 E CA 1.679 57.968 56.400 -0.184 0.000 0.800 2378 E CB -0.193 29.467 29.700 -0.067 0.000 0.752 2378 E HN 0.362 nan 8.360 nan 0.000 0.447 2379 D N 0.429 120.715 120.400 -0.190 0.000 2.123 2379 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 2379 D C 1.871 178.027 176.300 -0.240 0.000 0.992 2379 D CA 1.363 55.267 54.000 -0.159 0.000 0.833 2379 D CB -0.421 40.334 40.800 -0.075 0.000 0.954 2379 D HN 0.305 nan 8.370 nan 0.000 0.455 2380 A N 0.931 123.541 122.820 -0.350 0.000 1.892 2380 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 2380 A C 2.617 179.910 177.584 -0.485 0.000 1.188 2380 A CA 1.689 53.474 52.037 -0.421 0.000 0.631 2380 A CB -0.942 17.689 19.000 -0.614 0.000 0.822 2380 A HN 0.164 nan 8.150 nan 0.000 0.447 2381 V N 0.991 120.544 119.914 -0.602 0.000 2.392 2381 V HA -0.273 3.847 4.120 -0.001 0.000 0.249 2381 V C 2.279 178.181 176.094 -0.320 0.000 1.059 2381 V CA 2.178 64.186 62.300 -0.488 0.000 1.051 2381 V CB -0.889 30.650 31.823 -0.474 0.000 0.658 2381 V HN 0.583 nan 8.190 nan 0.000 0.455 2382 N N -0.213 118.327 118.700 -0.266 0.000 2.250 2382 N HA 0.026 4.765 4.740 -0.001 0.000 0.181 2382 N C 1.813 177.212 175.510 -0.186 0.000 1.017 2382 N CA 1.306 54.241 53.050 -0.193 0.000 0.866 2382 N CB -0.040 38.357 38.487 -0.150 0.000 0.985 2382 N HN 0.421 nan 8.380 nan 0.000 0.429 2383 I N 0.534 120.979 120.570 -0.207 0.000 2.162 2383 I HA -0.197 3.973 4.170 -0.001 0.000 0.238 2383 I C 1.656 177.621 176.117 -0.254 0.000 1.076 2383 I CA 0.797 61.978 61.300 -0.198 0.000 1.353 2383 I CB -0.057 37.833 38.000 -0.185 0.000 1.063 2383 I HN 0.005 nan 8.210 nan 0.000 0.408 2384 L N 0.508 121.521 121.223 -0.349 0.000 2.217 2384 L HA -0.034 4.306 4.340 -0.001 0.000 0.211 2384 L C 0.934 177.625 176.870 -0.299 0.000 1.107 2384 L CA 1.019 55.598 54.840 -0.436 0.000 0.783 2384 L CB -0.919 40.762 42.059 -0.630 0.000 0.919 2384 L HN 0.214 nan 8.230 nan 0.000 0.442 2385 K N -0.411 119.834 120.400 -0.258 0.000 3.148 2385 K HA -0.153 4.166 4.320 -0.001 0.000 0.267 2385 K C -2.106 174.386 176.600 -0.180 0.000 0.996 2385 K CA 0.117 56.285 56.287 -0.199 0.000 0.737 2385 K CB -1.533 30.874 32.500 -0.154 0.000 1.308 2385 K HN 0.320 nan 8.250 nan 0.000 0.470 2386 P HA -0.032 nan 4.420 nan 0.000 0.271 2386 P C 0.524 177.736 177.300 -0.145 0.000 1.233 2386 P CA 0.126 63.136 63.100 -0.150 0.000 0.789 2386 P CB 1.061 32.666 31.700 -0.158 0.000 0.951 2387 S N -1.243 114.383 115.700 -0.123 0.000 2.505 2387 S HA 0.142 4.611 4.470 -0.001 0.000 0.216 2387 S C 0.566 175.084 174.600 -0.136 0.000 1.018 2387 S CA 0.093 58.207 58.200 -0.143 0.000 0.911 2387 S CB -0.200 62.885 63.200 -0.191 0.000 0.818 2387 S HN 0.485 nan 8.310 nan 0.000 0.497 2388 T N 2.135 116.612 114.554 -0.129 0.000 2.881 2388 T HA 0.664 5.014 4.350 -0.001 0.000 0.290 2388 T C -1.656 172.927 174.700 -0.196 0.000 1.000 2388 T CA -0.326 61.668 62.100 -0.178 0.000 0.978 2388 T CB 1.834 70.591 68.868 -0.184 0.000 0.997 2388 T HN 0.171 nan 8.240 nan 0.000 0.443 2389 I N 3.460 123.910 120.570 -0.200 0.000 2.436 2389 I HA 0.580 4.750 4.170 -0.001 0.000 0.289 2389 I C -1.263 174.862 176.117 0.013 0.000 1.010 2389 I CA -0.858 60.370 61.300 -0.120 0.000 1.098 2389 I CB 1.169 38.999 38.000 -0.284 0.000 1.266 2389 I HN 0.603 nan 8.210 nan 0.000 0.434 2390 I N 6.951 127.570 120.570 0.082 0.000 2.439 2390 I HA 0.457 4.626 4.170 -0.001 0.000 0.283 2390 I C 0.327 176.665 176.117 0.367 0.000 1.023 2390 I CA -0.556 60.856 61.300 0.188 0.000 1.100 2390 I CB 1.778 39.712 38.000 -0.109 0.000 1.238 2390 I HN 0.664 nan 8.210 nan 0.000 0.445 2391 G N 4.556 113.532 108.800 0.294 0.000 2.320 2391 G HA2 0.468 4.427 3.960 -0.001 0.000 0.300 2391 G HA3 0.468 4.427 3.960 -0.001 0.000 0.300 2391 G C -0.450 174.430 174.900 -0.034 0.000 1.126 2391 G CA -0.221 44.779 45.100 -0.167 0.000 0.896 2391 G HN 0.433 nan 8.290 nan 0.000 0.436 2392 V N 2.181 122.104 119.914 0.014 0.000 3.214 2392 V HA 0.510 4.629 4.120 -0.001 0.000 0.433 2392 V C 0.681 176.783 176.094 0.012 0.000 1.469 2392 V CA 0.447 62.773 62.300 0.043 0.000 1.825 2392 V CB 0.308 32.216 31.823 0.142 0.000 1.245 2392 V HN 0.949 nan 8.190 nan 0.000 0.637 2393 A N 0.841 123.631 122.820 -0.049 0.000 2.229 2393 A HA 0.594 4.913 4.320 -0.001 0.000 0.211 2393 A C 1.862 179.414 177.584 -0.053 0.000 1.193 2393 A CA 0.727 52.737 52.037 -0.045 0.000 0.879 2393 A CB 0.029 18.988 19.000 -0.068 0.000 0.911 2393 A HN 1.887 nan 8.150 nan 0.000 0.492 2394 G N -0.933 107.829 108.800 -0.064 0.000 2.283 2394 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.280 2394 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.280 2394 G C 0.722 175.589 174.900 -0.054 0.000 1.029 2394 G CA 0.620 45.687 45.100 -0.055 0.000 0.840 2394 G HN 1.559 nan 8.290 nan 0.000 0.505 2395 A N -0.991 121.790 122.820 -0.066 0.000 2.538 2395 A HA 0.749 5.068 4.320 -0.001 0.000 0.269 2395 A C 1.711 179.266 177.584 -0.048 0.000 1.231 2395 A CA 1.318 53.323 52.037 -0.054 0.000 0.948 2395 A CB 0.157 19.126 19.000 -0.052 0.000 1.110 2395 A HN 2.546 nan 8.150 nan 0.000 0.529 2396 G N -0.256 108.512 108.800 -0.054 0.000 2.447 2396 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.220 2396 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.220 2396 G C -0.646 174.225 174.900 -0.049 0.000 1.261 2396 G CA -0.941 44.138 45.100 -0.036 0.000 1.000 2396 G HN 0.187 nan 8.290 nan 0.000 0.515 2397 R N 0.710 121.201 120.500 -0.015 0.000 4.576 2397 R HA 0.213 4.553 4.340 -0.001 0.000 0.185 2397 R C 1.306 177.611 176.300 0.008 0.000 1.837 2397 R CA -0.276 55.824 56.100 -0.000 0.000 1.520 2397 R CB -0.706 29.610 30.300 0.027 0.000 1.403 2397 R HN 0.327 nan 8.270 nan 0.000 0.831 2398 L N -0.155 121.043 121.223 -0.043 0.000 2.418 2398 L HA 0.105 4.444 4.340 -0.001 0.000 0.218 2398 L C 0.963 177.931 176.870 0.165 0.000 1.125 2398 L CA 0.881 55.721 54.840 0.000 0.000 0.835 2398 L CB -0.305 41.696 42.059 -0.097 0.000 0.953 2398 L HN 0.308 nan 8.230 nan 0.000 0.454 2399 F N 1.285 121.211 119.950 -0.040 0.000 2.626 2399 F HA 0.081 4.608 4.527 -0.001 0.000 0.353 2399 F C 1.225 177.035 175.800 0.016 0.000 1.230 2399 F CA -0.919 57.085 58.000 0.006 0.000 1.298 2399 F CB -0.260 38.758 39.000 0.029 0.000 1.670 2399 F HN 0.056 nan 8.300 nan 0.000 0.633 2400 T N -0.903 113.767 114.554 0.193 0.000 2.795 2400 T HA 0.021 4.371 4.350 -0.001 0.000 0.314 2400 T C -1.681 173.055 174.700 0.060 0.000 1.069 2400 T CA -1.329 60.831 62.100 0.100 0.000 1.071 2400 T CB 1.069 69.984 68.868 0.077 0.000 0.988 2400 T HN 0.121 nan 8.240 nan 0.000 0.543 2401 P HA -0.063 nan 4.420 nan 0.000 0.216 2401 P C 1.066 178.359 177.300 -0.012 0.000 1.150 2401 P CA 0.981 64.081 63.100 -0.001 0.000 0.837 2401 P CB -0.011 31.686 31.700 -0.005 0.000 0.786 2402 D N -1.300 119.098 120.400 -0.003 0.000 2.178 2402 D HA -0.085 4.555 4.640 -0.001 0.000 0.202 2402 D C 1.982 178.262 176.300 -0.034 0.000 0.974 2402 D CA 0.809 54.798 54.000 -0.019 0.000 0.841 2402 D CB -0.628 40.165 40.800 -0.011 0.000 0.953 2402 D HN -0.012 nan 8.370 nan 0.000 0.478 2403 V N 1.070 120.976 119.914 -0.012 0.000 2.307 2403 V HA -0.188 3.931 4.120 -0.001 0.000 0.245 2403 V C 2.471 178.507 176.094 -0.096 0.000 1.045 2403 V CA 1.053 63.330 62.300 -0.038 0.000 1.024 2403 V CB -0.263 31.594 31.823 0.055 0.000 0.651 2403 V HN 0.182 nan 8.190 nan 0.000 0.449 2404 I N -0.573 119.953 120.570 -0.074 0.000 2.226 2404 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 2404 I C 2.735 178.794 176.117 -0.097 0.000 1.100 2404 I CA 1.536 62.776 61.300 -0.099 0.000 1.374 2404 I CB -0.491 37.463 38.000 -0.077 0.000 1.057 2404 I HN 0.212 nan 8.210 nan 0.000 0.413 2405 R N 1.052 121.507 120.500 -0.075 0.000 2.075 2405 R HA 0.023 4.362 4.340 -0.001 0.000 0.232 2405 R C 1.416 177.667 176.300 -0.082 0.000 1.126 2405 R CA 0.825 56.883 56.100 -0.070 0.000 0.963 2405 R CB -0.338 29.930 30.300 -0.053 0.000 0.858 2405 R HN 0.319 nan 8.270 nan 0.000 0.435 2409 S N 0.126 115.779 115.700 -0.079 0.000 2.395 2409 S HA 0.059 4.528 4.470 -0.001 0.000 0.225 2409 S C 1.821 176.376 174.600 -0.075 0.000 1.027 2409 S CA 1.408 59.566 58.200 -0.070 0.000 0.965 2409 S CB -0.418 62.742 63.200 -0.068 0.000 0.812 2409 S HN 0.458 nan 8.310 nan 0.000 0.482 2410 I N 1.416 121.932 120.570 -0.091 0.000 2.500 2410 I HA 0.055 4.224 4.170 -0.001 0.000 0.252 2410 I C 0.197 176.258 176.117 -0.094 0.000 1.142 2410 I CA 0.459 61.700 61.300 -0.097 0.000 1.451 2410 I CB -0.100 37.828 38.000 -0.120 0.000 1.093 2410 I HN 0.274 nan 8.210 nan 0.000 0.430 2411 N N 0.527 119.170 118.700 -0.095 0.000 2.258 2411 N HA 0.092 4.832 4.740 -0.001 0.000 0.299 2411 N C 0.450 175.915 175.510 -0.074 0.000 1.047 2411 N CA -0.268 52.727 53.050 -0.091 0.000 0.814 2411 N CB 2.391 40.814 38.487 -0.107 0.000 1.413 2411 N HN -0.082 nan 8.380 nan 0.000 0.478 2412 E N 1.450 121.612 120.200 -0.063 0.000 2.051 2412 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 2412 E C -0.247 176.327 176.600 -0.043 0.000 0.991 2412 E CA 1.637 58.010 56.400 -0.046 0.000 0.799 2412 E CB 0.358 30.036 29.700 -0.036 0.000 0.748 2412 E HN 0.317 nan 8.360 nan 0.000 0.449 2413 R N 1.099 121.570 120.500 -0.048 0.000 2.564 2413 R HA 0.312 4.651 4.340 -0.001 0.000 0.282 2413 R C -2.471 173.796 176.300 -0.055 0.000 1.573 2413 R CA -2.103 53.974 56.100 -0.038 0.000 1.588 2413 R CB 0.797 31.088 30.300 -0.014 0.000 1.154 2413 R HN 0.240 nan 8.270 nan 0.000 0.606 2414 P HA 0.095 nan 4.420 nan 0.000 0.271 2414 P C -0.049 177.209 177.300 -0.070 0.000 1.216 2414 P CA -0.203 62.844 63.100 -0.089 0.000 0.776 2414 P CB 1.341 32.977 31.700 -0.106 0.000 0.881 2415 V N 5.364 125.221 119.914 -0.096 0.000 2.383 2415 V HA 0.301 4.420 4.120 -0.001 0.000 0.275 2415 V C 0.643 176.671 176.094 -0.109 0.000 1.036 2415 V CA -0.258 61.976 62.300 -0.109 0.000 0.889 2415 V CB 0.577 32.256 31.823 -0.239 0.000 0.985 2415 V HN 0.394 nan 8.190 nan 0.000 0.459 2416 I N 5.785 126.402 120.570 0.079 0.000 2.448 2416 I HA 0.418 4.587 4.170 -0.001 0.000 0.281 2416 I C -1.228 175.206 176.117 0.528 0.000 1.027 2416 I CA -0.220 61.210 61.300 0.215 0.000 1.111 2416 I CB 1.429 39.568 38.000 0.232 0.000 1.236 2416 I HN 0.350 nan 8.210 nan 0.000 0.452 2417 F N 4.632 124.663 119.950 0.135 0.000 2.402 2417 F HA 0.567 5.093 4.527 -0.001 0.000 0.355 2417 F C 0.537 176.427 175.800 0.150 0.000 1.123 2417 F CA -1.636 56.375 58.000 0.019 0.000 1.021 2417 F CB 1.868 40.889 39.000 0.035 0.000 1.160 2417 F HN 0.409 nan 8.300 nan 0.000 0.451 2418 A N 5.701 128.622 122.820 0.168 0.000 2.540 2418 A HA 0.561 4.880 4.320 -0.001 0.000 0.340 2418 A C 0.418 178.020 177.584 0.029 0.000 1.424 2418 A CA -0.305 51.792 52.037 0.100 0.000 0.940 2418 A CB -0.152 19.007 19.000 0.266 0.000 1.149 2418 A HN 0.845 nan 8.150 nan 0.000 0.505 2419 L N 1.137 122.375 121.223 0.026 0.000 2.567 2419 L HA 0.074 4.413 4.340 -0.001 0.000 0.225 2419 L C 0.877 177.748 176.870 0.002 0.000 1.119 2419 L CA 0.075 54.927 54.840 0.019 0.000 0.871 2419 L CB -0.068 42.034 42.059 0.073 0.000 1.036 2419 L HN 0.526 nan 8.230 nan 0.000 0.459 2420 S N 1.161 116.847 115.700 -0.023 0.000 2.560 2420 S HA 0.138 4.607 4.470 -0.001 0.000 0.284 2420 S C 0.091 174.672 174.600 -0.032 0.000 1.327 2420 S CA -0.107 58.073 58.200 -0.034 0.000 1.055 2420 S CB 0.305 63.467 63.200 -0.063 0.000 0.868 2420 S HN 0.270 nan 8.310 nan 0.000 0.506 2421 N N 2.603 121.275 118.700 -0.047 0.000 2.265 2421 N HA 0.536 5.275 4.740 -0.001 0.000 0.300 2421 N C -2.674 172.792 175.510 -0.073 0.000 1.148 2421 N CA -1.496 51.511 53.050 -0.072 0.000 0.772 2421 N CB 1.768 40.195 38.487 -0.100 0.000 1.434 2421 N HN 0.279 nan 8.380 nan 0.000 0.481 2422 P HA 0.172 nan 4.420 nan 0.000 0.312 2422 P C 0.504 177.759 177.300 -0.075 0.000 1.308 2422 P CA -0.009 63.032 63.100 -0.099 0.000 0.743 2422 P CB 0.390 32.028 31.700 -0.104 0.000 1.364 2423 T N -0.029 114.469 114.554 -0.093 0.000 2.680 2423 T HA -0.233 4.116 4.350 -0.001 0.000 0.268 2423 T C 1.890 176.600 174.700 0.017 0.000 1.033 2423 T CA 2.517 64.576 62.100 -0.068 0.000 1.152 2423 T CB -1.194 67.611 68.868 -0.104 0.000 0.859 2423 T HN 0.532 nan 8.240 nan 0.000 0.452 2424 A N 0.618 123.439 122.820 0.002 0.000 2.067 2424 A HA -0.035 4.284 4.320 -0.001 0.000 0.219 2424 A C 2.146 179.736 177.584 0.011 0.000 1.158 2424 A CA 1.065 53.113 52.037 0.018 0.000 0.661 2424 A CB -0.359 18.643 19.000 0.003 0.000 0.801 2424 A HN 0.389 nan 8.150 nan 0.000 0.452 2425 Q N -0.465 119.331 119.800 -0.007 0.000 2.360 2425 Q HA 0.446 4.786 4.340 -0.001 0.000 0.202 2425 Q C 0.727 176.712 176.000 -0.024 0.000 0.915 2425 Q CA 0.517 56.307 55.803 -0.022 0.000 0.943 2425 Q CB -0.046 28.670 28.738 -0.037 0.000 1.064 2425 Q HN 0.590 nan 8.270 nan 0.000 0.511 2426 A N 0.494 123.324 122.820 0.017 0.000 2.483 2426 A HA 0.033 4.352 4.320 -0.001 0.000 0.238 2426 A C 0.709 178.288 177.584 -0.008 0.000 1.070 2426 A CA -0.126 51.937 52.037 0.043 0.000 0.770 2426 A CB 0.393 19.511 19.000 0.197 0.000 1.008 2426 A HN 0.175 nan 8.150 nan 0.000 0.497 2427 E N -0.421 119.709 120.200 -0.118 0.000 2.204 2427 E HA 0.039 4.388 4.350 -0.001 0.000 0.194 2427 E C 0.572 177.152 176.600 -0.034 0.000 0.989 2427 E CA 1.551 57.783 56.400 -0.280 0.000 0.824 2427 E CB -0.269 28.830 29.700 -1.002 0.000 0.756 2427 E HN 0.924 nan 8.360 nan 0.000 0.477 2428 C N -2.875 116.488 119.300 0.105 0.000 3.231 2428 C HA 0.624 5.083 4.460 -0.001 0.000 0.343 2428 C C -0.105 174.916 174.990 0.051 0.000 1.349 2428 C CA -0.713 58.370 59.018 0.108 0.000 1.209 2428 C CB 0.917 28.753 27.740 0.160 0.000 1.475 2428 C HN 0.242 nan 8.230 nan 0.000 0.460 2429 T N -0.413 114.012 114.554 -0.217 0.000 2.927 2429 T HA 0.661 5.011 4.350 -0.001 0.000 0.281 2429 T C 1.210 175.314 174.700 -0.993 0.000 0.998 2429 T CA 0.239 61.894 62.100 -0.742 0.000 1.019 2429 T CB 1.479 70.009 68.868 -0.564 0.000 1.061 2429 T HN 2.178 nan 8.240 nan 0.000 0.518 2430 A N 0.513 122.535 122.820 -1.331 0.000 1.883 2430 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 2430 A C 2.241 179.550 177.584 -0.458 0.000 1.186 2430 A CA 2.029 53.486 52.037 -0.968 0.000 0.624 2430 A CB -1.292 17.585 19.000 -0.204 0.000 0.822 2430 A HN 1.062 nan 8.150 nan 0.000 0.444 2431 E N -0.173 119.832 120.200 -0.324 0.000 2.130 2431 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 2431 E C 1.853 178.361 176.600 -0.154 0.000 0.998 2431 E CA 1.629 57.948 56.400 -0.135 0.000 0.806 2431 E CB -0.127 29.512 29.700 -0.102 0.000 0.738 2431 E HN 0.779 nan 8.360 nan 0.000 0.459 2432 E N -0.228 119.821 120.200 -0.251 0.000 2.076 2432 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 2432 E C 2.039 178.496 176.600 -0.238 0.000 0.979 2432 E CA 0.699 56.983 56.400 -0.193 0.000 0.807 2432 E CB -0.061 29.542 29.700 -0.161 0.000 0.761 2432 E HN 0.351 nan 8.360 nan 0.000 0.454 2433 A N 0.554 123.114 122.820 -0.433 0.000 1.898 2433 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 2433 A C 1.797 179.109 177.584 -0.455 0.000 1.181 2433 A CA 1.184 52.920 52.037 -0.503 0.000 0.620 2433 A CB -0.688 17.763 19.000 -0.914 0.000 0.819 2433 A HN 0.260 nan 8.150 nan 0.000 0.442 2434 Y N 0.432 120.535 120.300 -0.328 0.000 2.206 2434 Y HA -0.156 4.393 4.550 -0.001 0.000 0.292 2434 Y C 3.224 178.999 175.900 -0.209 0.000 1.123 2434 Y CA 1.759 59.676 58.100 -0.304 0.000 1.142 2434 Y CB -0.522 37.764 38.460 -0.291 0.000 1.006 2434 Y HN 0.493 nan 8.280 nan 0.000 0.518 2435 T N -1.424 113.136 114.554 0.011 0.000 2.777 2435 T HA -0.127 4.222 4.350 -0.001 0.000 0.266 2435 T C 1.671 176.350 174.700 -0.034 0.000 1.040 2435 T CA 0.996 63.095 62.100 -0.000 0.000 1.141 2435 T CB -0.498 68.369 68.868 -0.001 0.000 0.868 2435 T HN 0.117 nan 8.240 nan 0.000 0.444 2436 L N 2.614 123.797 121.223 -0.066 0.000 2.622 2436 L HA 0.155 4.494 4.340 -0.001 0.000 0.233 2436 L C 2.132 178.956 176.870 -0.077 0.000 1.156 2436 L CA 1.670 56.469 54.840 -0.067 0.000 0.866 2436 L CB -1.457 40.557 42.059 -0.075 0.000 0.980 2436 L HN 0.722 nan 8.230 nan 0.000 0.448 2437 T N -5.344 109.156 114.554 -0.091 0.000 3.170 2437 T HA 0.175 4.524 4.350 -0.001 0.000 0.288 2437 T C 0.576 175.233 174.700 -0.071 0.000 0.992 2437 T CA -0.311 61.733 62.100 -0.094 0.000 0.909 2437 T CB 0.138 68.925 68.868 -0.134 0.000 1.133 2437 T HN 0.298 nan 8.240 nan 0.000 0.530 2438 E N 0.871 121.044 120.200 -0.044 0.000 2.539 2438 E HA -0.229 4.120 4.350 -0.001 0.000 0.253 2438 E C 1.025 177.619 176.600 -0.010 0.000 1.145 2438 E CA 0.533 56.928 56.400 -0.008 0.000 0.738 2438 E CB -1.999 27.701 29.700 0.000 0.000 1.308 2438 E HN 1.076 nan 8.360 nan 0.000 0.409 2439 G N -0.307 108.427 108.800 -0.110 0.000 2.143 2439 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.248 2439 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.248 2439 G C 0.699 175.453 174.900 -0.243 0.000 0.991 2439 G CA 0.569 45.451 45.100 -0.364 0.000 0.689 2439 G HN 0.387 nan 8.290 nan 0.000 0.522 2440 R N -0.592 119.830 120.500 -0.130 0.000 2.206 2440 R HA 0.189 4.528 4.340 -0.001 0.000 0.198 2440 R C 2.199 178.453 176.300 -0.077 0.000 0.986 2440 R CA 0.750 56.810 56.100 -0.066 0.000 1.029 2440 R CB -0.147 30.127 30.300 -0.044 0.000 0.966 2440 R HN 0.829 nan 8.270 nan 0.000 0.487 2441 C N 0.485 119.702 119.300 -0.138 0.000 2.700 2441 C HA 0.386 4.845 4.460 -0.001 0.000 0.397 2441 C C 0.450 175.400 174.990 -0.067 0.000 1.301 2441 C CA -1.025 57.916 59.018 -0.128 0.000 2.219 2441 C CB -0.250 27.364 27.740 -0.211 0.000 2.699 2441 C HN 0.232 nan 8.230 nan 0.000 0.669 2442 L N 2.896 124.134 121.223 0.026 0.000 2.324 2442 L HA 0.476 4.815 4.340 -0.001 0.000 0.274 2442 L C -0.305 176.709 176.870 0.241 0.000 1.012 2442 L CA -0.096 54.828 54.840 0.139 0.000 0.859 2442 L CB 0.562 42.699 42.059 0.130 0.000 1.224 2442 L HN 0.781 nan 8.230 nan 0.000 0.429 2443 F N 3.280 123.245 119.950 0.024 0.000 2.470 2443 F HA 0.847 5.373 4.527 -0.001 0.000 0.329 2443 F C -0.179 175.688 175.800 0.111 0.000 1.072 2443 F CA -0.491 57.535 58.000 0.043 0.000 0.989 2443 F CB 1.685 40.501 39.000 -0.306 0.000 1.193 2443 F HN 0.415 nan 8.300 nan 0.000 0.481 2444 A N 2.730 124.949 122.820 -1.001 0.000 2.574 2444 A HA 0.717 5.037 4.320 -0.001 0.000 0.297 2444 A C -1.374 175.544 177.584 -1.110 0.000 1.062 2444 A CA -0.126 51.382 52.037 -0.882 0.000 0.686 2444 A CB 1.292 19.669 19.000 -1.038 0.000 1.285 2444 A HN 1.147 nan 8.150 nan 0.000 0.403 2445 S N -0.127 115.261 115.700 -0.519 0.000 2.618 2445 S HA 0.719 5.189 4.470 -0.001 0.000 0.277 2445 S C 0.794 175.342 174.600 -0.087 0.000 1.138 2445 S CA -0.003 58.076 58.200 -0.200 0.000 0.844 2445 S CB 1.312 64.676 63.200 0.274 0.000 1.127 2445 S HN 1.824 nan 8.310 nan 0.000 0.474 2446 G N 0.725 109.504 108.800 -0.036 0.000 2.396 2446 G HA2 0.204 4.163 3.960 -0.001 0.000 0.214 2446 G HA3 0.204 4.163 3.960 -0.001 0.000 0.214 2446 G C 0.345 175.215 174.900 -0.049 0.000 1.166 2446 G CA 0.254 45.333 45.100 -0.034 0.000 0.793 2446 G HN 0.724 nan 8.290 nan 0.000 0.533 2447 S N 1.548 117.188 115.700 -0.101 0.000 2.617 2447 S HA 0.505 4.975 4.470 -0.001 0.000 0.283 2447 S C -2.476 171.944 174.600 -0.300 0.000 1.189 2447 S CA -1.008 57.072 58.200 -0.201 0.000 1.036 2447 S CB 2.170 65.209 63.200 -0.270 0.000 1.014 2447 S HN 0.116 nan 8.310 nan 0.000 0.522 2448 P HA 0.303 nan 4.420 nan 0.000 0.271 2448 P C -1.271 175.812 177.300 -0.363 0.000 1.216 2448 P CA -0.026 62.970 63.100 -0.173 0.000 0.776 2448 P CB 0.203 31.873 31.700 -0.051 0.000 0.881 2449 F N 0.466 120.506 119.950 0.150 0.000 2.569 2449 F HA 0.476 5.002 4.527 -0.001 0.000 0.312 2449 F C 1.110 176.998 175.800 0.147 0.000 1.109 2449 F CA -0.669 57.425 58.000 0.156 0.000 0.919 2449 F CB 2.210 41.342 39.000 0.219 0.000 1.211 2449 F HN 0.315 nan 8.300 nan 0.000 0.446 2450 G N 1.873 110.861 108.800 0.314 0.000 2.588 2450 G HA2 0.527 4.486 3.960 -0.001 0.000 0.281 2450 G HA3 0.527 4.486 3.960 -0.001 0.000 0.281 2450 G C -2.734 172.280 174.900 0.191 0.000 1.236 2450 G CA -1.474 43.749 45.100 0.205 0.000 0.969 2450 G HN 0.301 nan 8.290 nan 0.000 0.504 2451 P HA 0.203 nan 4.420 nan 0.000 0.269 2451 P C -0.588 176.743 177.300 0.052 0.000 1.211 2451 P CA -0.162 62.983 63.100 0.076 0.000 0.781 2451 P CB 0.768 32.491 31.700 0.038 0.000 0.877 2452 V N 2.418 122.331 119.914 -0.001 0.000 2.487 2452 V HA 0.362 4.481 4.120 -0.001 0.000 0.298 2452 V C 0.028 176.113 176.094 -0.015 0.000 1.028 2452 V CA -0.537 61.761 62.300 -0.004 0.000 0.860 2452 V CB 1.624 33.437 31.823 -0.017 0.000 0.991 2452 V HN 0.417 nan 8.190 nan 0.000 0.427 2453 K N 5.123 125.524 120.400 0.002 0.000 2.307 2453 K HA 0.645 4.964 4.320 -0.001 0.000 0.263 2453 K C -0.948 175.670 176.600 0.029 0.000 0.973 2453 K CA -0.606 55.676 56.287 -0.007 0.000 0.846 2453 K CB 1.277 33.767 32.500 -0.017 0.000 1.100 2453 K HN 0.604 nan 8.250 nan 0.000 0.438 2454 L N 2.469 123.726 121.223 0.056 0.000 2.456 2454 L HA 0.148 4.487 4.340 -0.001 0.000 0.257 2454 L C 1.850 178.743 176.870 0.039 0.000 1.162 2454 L CA -0.329 54.556 54.840 0.074 0.000 0.808 2454 L CB 1.072 43.214 42.059 0.137 0.000 1.136 2454 L HN 0.822 nan 8.230 nan 0.000 0.466 2455 T N -3.406 111.169 114.554 0.035 0.000 3.118 2455 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 2455 T C 0.613 175.324 174.700 0.019 0.000 1.166 2455 T CA 0.942 63.055 62.100 0.022 0.000 1.073 2455 T CB -0.545 68.334 68.868 0.019 0.000 0.884 2455 T HN 0.752 nan 8.240 nan 0.000 0.550 2456 D N -0.573 119.842 120.400 0.025 0.000 2.571 2456 D HA 0.284 4.923 4.640 -0.001 0.000 0.239 2456 D C 1.419 177.721 176.300 0.002 0.000 1.267 2456 D CA 0.063 54.074 54.000 0.017 0.000 0.823 2456 D CB -0.253 40.564 40.800 0.029 0.000 1.056 2456 D HN 0.445 nan 8.370 nan 0.000 0.494 2457 G N 1.300 110.095 108.800 -0.008 0.000 2.234 2457 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.260 2457 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.260 2457 G C 0.376 175.231 174.900 -0.075 0.000 0.987 2457 G CA -0.138 44.942 45.100 -0.034 0.000 0.625 2457 G HN 0.435 nan 8.290 nan 0.000 0.532 2458 R N 0.150 120.604 120.500 -0.077 0.000 2.442 2458 R HA 0.478 4.817 4.340 -0.001 0.000 0.291 2458 R C -0.026 176.080 176.300 -0.323 0.000 1.069 2458 R CA -0.087 55.882 56.100 -0.218 0.000 1.022 2458 R CB 1.313 31.534 30.300 -0.131 0.000 0.976 2458 R HN 0.112 nan 8.270 nan 0.000 0.443 2459 V N 5.127 124.744 119.914 -0.494 0.000 2.398 2459 V HA 0.379 4.498 4.120 -0.001 0.000 0.286 2459 V C -0.715 174.961 176.094 -0.697 0.000 1.026 2459 V CA -0.534 61.519 62.300 -0.413 0.000 0.868 2459 V CB 1.008 32.691 31.823 -0.233 0.000 0.982 2459 V HN 0.524 nan 8.190 nan 0.000 0.443 2460 F N 1.804 121.579 119.950 -0.292 0.000 2.460 2460 F HA 0.444 4.970 4.527 -0.001 0.000 0.341 2460 F C 0.662 176.270 175.800 -0.320 0.000 1.130 2460 F CA -0.528 57.205 58.000 -0.446 0.000 0.962 2460 F CB 1.965 40.271 39.000 -1.158 0.000 1.171 2460 F HN 0.331 nan 8.300 nan 0.000 0.436 2461 T N 5.678 120.254 114.554 0.037 0.000 2.747 2461 T HA 0.261 4.610 4.350 -0.001 0.000 0.301 2461 T C -2.456 172.395 174.700 0.252 0.000 0.952 2461 T CA -1.365 60.806 62.100 0.119 0.000 0.983 2461 T CB 0.412 69.336 68.868 0.095 0.000 0.930 2461 T HN 0.210 nan 8.240 nan 0.000 0.494 2462 P HA 0.284 nan 4.420 nan 0.000 0.275 2462 P C 0.216 177.739 177.300 0.371 0.000 1.228 2462 P CA -0.222 63.185 63.100 0.513 0.000 0.786 2462 P CB 0.909 33.029 31.700 0.700 0.000 0.927 2463 G N 1.529 110.527 108.800 0.329 0.000 2.437 2463 G HA2 0.353 4.312 3.960 -0.001 0.000 0.319 2463 G HA3 0.353 4.312 3.960 -0.001 0.000 0.319 2463 G C -1.014 174.004 174.900 0.196 0.000 1.158 2463 G CA -0.535 44.743 45.100 0.297 0.000 0.899 2463 G HN 0.564 nan 8.290 nan 0.000 0.502 2464 Q N 0.408 120.286 119.800 0.129 0.000 2.431 2464 Q HA 0.462 4.801 4.340 -0.001 0.000 0.249 2464 Q C 0.477 176.289 176.000 -0.314 0.000 1.025 2464 Q CA -0.674 55.127 55.803 -0.004 0.000 0.835 2464 Q CB 0.728 29.523 28.738 0.094 0.000 1.207 2464 Q HN 0.577 nan 8.270 nan 0.000 0.490 2465 G N 4.487 113.070 108.800 -0.362 0.000 2.985 2465 G HA2 0.026 3.986 3.960 -0.001 0.000 0.282 2465 G HA3 0.026 3.986 3.960 -0.001 0.000 0.282 2465 G C -0.471 174.310 174.900 -0.199 0.000 0.791 2465 G CA -0.240 44.572 45.100 -0.480 0.000 1.934 2465 G HN 0.571 nan 8.290 nan 0.000 0.563 2466 N N 1.210 119.841 118.700 -0.114 0.000 2.258 2466 N HA 0.037 4.776 4.740 -0.001 0.000 0.299 2466 N C 0.986 176.577 175.510 0.136 0.000 1.047 2466 N CA -0.657 52.433 53.050 0.067 0.000 0.814 2466 N CB 1.395 39.961 38.487 0.132 0.000 1.413 2466 N HN 0.249 nan 8.380 nan 0.000 0.478 2467 N N 2.050 120.881 118.700 0.218 0.000 2.635 2467 N HA -0.138 4.601 4.740 -0.001 0.000 0.191 2467 N C 1.333 176.978 175.510 0.223 0.000 1.155 2467 N CA 0.531 53.757 53.050 0.293 0.000 0.927 2467 N CB -0.143 38.586 38.487 0.403 0.000 0.976 2467 N HN 0.270 nan 8.380 nan 0.000 0.448 2468 V N -0.611 119.328 119.914 0.041 0.000 2.759 2468 V HA -0.148 3.971 4.120 -0.001 0.000 0.256 2468 V C 1.089 176.842 176.094 -0.570 0.000 1.080 2468 V CA 1.224 63.188 62.300 -0.560 0.000 1.101 2468 V CB -0.786 30.736 31.823 -0.502 0.000 0.698 2468 V HN 0.315 nan 8.190 nan 0.000 0.477 2469 Y N -0.900 119.228 120.300 -0.287 0.000 2.509 2469 Y HA -0.003 4.546 4.550 -0.001 0.000 0.293 2469 Y C 2.039 177.829 175.900 -0.182 0.000 1.133 2469 Y CA 1.071 59.039 58.100 -0.221 0.000 1.283 2469 Y CB 0.353 38.711 38.460 -0.169 0.000 1.001 2469 Y HN 0.253 nan 8.280 nan 0.000 0.555 2470 I N -1.836 118.721 120.570 -0.022 0.000 3.345 2470 I HA -0.118 4.051 4.170 -0.001 0.000 0.258 2470 I C 2.153 178.262 176.117 -0.013 0.000 1.134 2470 I CA 0.599 61.916 61.300 0.029 0.000 1.457 2470 I CB -1.503 36.605 38.000 0.180 0.000 1.425 2470 I HN 0.167 nan 8.210 nan 0.000 0.461 2471 F N 2.337 122.344 119.950 0.096 0.000 2.192 2471 F HA -0.040 4.486 4.527 -0.001 0.000 0.301 2471 F C -0.872 174.851 175.800 -0.128 0.000 1.079 2471 F CA 0.979 59.035 58.000 0.094 0.000 1.303 2471 F CB -2.769 36.428 39.000 0.329 0.000 1.024 2471 F HN 0.099 nan 8.300 nan 0.000 0.494 2472 P HA 0.030 nan 4.420 nan 0.000 0.214 2472 P C 2.148 179.288 177.300 -0.267 0.000 1.162 2472 P CA 2.181 65.054 63.100 -0.377 0.000 0.874 2472 P CB -0.414 31.037 31.700 -0.416 0.000 0.784 2473 G N -0.111 108.567 108.800 -0.203 0.000 2.421 2473 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 2473 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 2473 G C 1.642 176.460 174.900 -0.135 0.000 1.171 2473 G CA 0.855 45.871 45.100 -0.139 0.000 0.775 2473 G HN 0.122 nan 8.290 nan 0.000 0.543 2474 V N 1.680 121.503 119.914 -0.153 0.000 2.295 2474 V HA -0.159 3.960 4.120 -0.001 0.000 0.246 2474 V C 3.362 179.354 176.094 -0.170 0.000 1.049 2474 V CA 2.101 64.275 62.300 -0.210 0.000 1.024 2474 V CB -1.017 30.602 31.823 -0.341 0.000 0.648 2474 V HN 0.487 nan 8.190 nan 0.000 0.447 2475 A N -0.165 122.570 122.820 -0.143 0.000 1.917 2475 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 2475 A C 2.190 179.724 177.584 -0.085 0.000 1.182 2475 A CA 2.317 54.298 52.037 -0.094 0.000 0.633 2475 A CB -0.662 18.152 19.000 -0.311 0.000 0.819 2475 A HN 0.457 nan 8.150 nan 0.000 0.448 2476 L N -0.266 120.882 121.223 -0.125 0.000 2.012 2476 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 2476 L C 2.729 179.580 176.870 -0.032 0.000 1.073 2476 L CA 2.320 57.115 54.840 -0.074 0.000 0.748 2476 L CB -0.949 41.059 42.059 -0.084 0.000 0.891 2476 L HN 0.373 nan 8.230 nan 0.000 0.431 2477 A N -1.023 121.775 122.820 -0.036 0.000 1.851 2477 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 2477 A C 2.283 179.874 177.584 0.012 0.000 1.195 2477 A CA 2.424 54.462 52.037 0.001 0.000 0.622 2477 A CB -1.321 17.667 19.000 -0.021 0.000 0.831 2477 A HN 0.313 nan 8.150 nan 0.000 0.444 2478 V N 0.129 120.034 119.914 -0.014 0.000 2.332 2478 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 2478 V C 2.436 178.556 176.094 0.044 0.000 1.055 2478 V CA 2.159 64.466 62.300 0.011 0.000 1.038 2478 V CB -0.691 31.139 31.823 0.013 0.000 0.651 2478 V HN 0.567 nan 8.190 nan 0.000 0.450 2479 I N -0.667 119.930 120.570 0.044 0.000 2.202 2479 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 2479 I C 2.273 178.432 176.117 0.071 0.000 1.091 2479 I CA 1.522 62.854 61.300 0.053 0.000 1.368 2479 I CB -0.284 37.737 38.000 0.036 0.000 1.058 2479 I HN 0.243 nan 8.210 nan 0.000 0.410 2480 L N -0.257 121.011 121.223 0.076 0.000 2.131 2480 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 2480 L C 2.206 179.216 176.870 0.233 0.000 1.092 2480 L CA 0.921 55.846 54.840 0.141 0.000 0.759 2480 L CB -0.515 41.614 42.059 0.115 0.000 0.903 2480 L HN 0.409 nan 8.230 nan 0.000 0.435 2481 C N -0.320 119.062 119.300 0.136 0.000 2.697 2481 C HA 0.120 4.579 4.460 -0.001 0.000 0.267 2481 C C 1.081 176.115 174.990 0.074 0.000 1.278 2481 C CA -0.328 58.708 59.018 0.031 0.000 1.708 2481 C CB -1.744 25.892 27.740 -0.172 0.000 1.860 2481 C HN 0.633 nan 8.230 nan 0.000 0.589 2482 N N 0.387 119.160 118.700 0.121 0.000 2.740 2482 N HA -0.142 4.597 4.740 -0.001 0.000 0.248 2482 N C -0.412 175.191 175.510 0.154 0.000 1.062 2482 N CA 0.203 53.338 53.050 0.143 0.000 0.704 2482 N CB -1.029 37.579 38.487 0.202 0.000 0.968 2482 N HN 0.464 nan 8.380 nan 0.000 0.547 2483 T N -0.072 114.549 114.554 0.113 0.000 2.930 2483 T HA 0.095 4.444 4.350 -0.001 0.000 0.306 2483 T C 1.543 176.269 174.700 0.045 0.000 1.045 2483 T CA 0.112 62.289 62.100 0.129 0.000 1.134 2483 T CB 1.170 70.086 68.868 0.081 0.000 0.961 2483 T HN 0.223 nan 8.240 nan 0.000 0.545 2484 R N 0.655 121.161 120.500 0.011 0.000 2.175 2484 R HA 0.164 4.503 4.340 -0.001 0.000 0.202 2484 R C 0.022 176.043 176.300 -0.465 0.000 1.018 2484 R CA 0.471 56.448 56.100 -0.204 0.000 1.029 2484 R CB 0.297 30.474 30.300 -0.205 0.000 0.959 2484 R HN 0.646 nan 8.270 nan 0.000 0.480 2485 H N -1.214 117.914 119.070 0.096 0.000 2.980 2485 H HA 0.444 4.999 4.556 -0.001 0.000 0.367 2485 H C -1.162 174.248 175.328 0.137 0.000 1.206 2485 H CA -0.659 55.463 56.048 0.123 0.000 1.126 2485 H CB 2.125 31.949 29.762 0.103 0.000 1.838 2485 H HN -0.131 nan 8.280 nan 0.000 0.552 2486 I N 1.981 122.724 120.570 0.288 0.000 2.410 2486 I HA 0.305 4.474 4.170 -0.001 0.000 0.286 2486 I C -0.169 176.113 176.117 0.274 0.000 1.009 2486 I CA -0.657 60.779 61.300 0.226 0.000 1.111 2486 I CB 1.476 39.605 38.000 0.215 0.000 1.262 2486 I HN 0.574 nan 8.210 nan 0.000 0.443 2487 S N 2.814 118.650 115.700 0.226 0.000 2.646 2487 S HA 0.284 4.754 4.470 -0.001 0.000 0.276 2487 S C 0.630 175.404 174.600 0.290 0.000 1.222 2487 S CA -0.773 57.567 58.200 0.233 0.000 1.014 2487 S CB 1.721 65.036 63.200 0.191 0.000 0.991 2487 S HN 0.556 nan 8.310 nan 0.000 0.533 2488 D N 1.435 122.006 120.400 0.285 0.000 2.265 2488 D HA -0.076 4.564 4.640 -0.001 0.000 0.208 2488 D C 1.666 178.134 176.300 0.280 0.000 0.977 2488 D CA 1.138 55.340 54.000 0.338 0.000 0.871 2488 D CB -0.314 40.614 40.800 0.213 0.000 0.925 2488 D HN 0.569 nan 8.370 nan 0.000 0.485 2489 S N 0.114 115.926 115.700 0.186 0.000 2.419 2489 S HA -0.098 4.371 4.470 -0.001 0.000 0.233 2489 S C 2.315 176.850 174.600 -0.107 0.000 1.016 2489 S CA 0.330 58.591 58.200 0.101 0.000 0.974 2489 S CB 0.001 63.334 63.200 0.222 0.000 0.786 2489 S HN 0.148 nan 8.310 nan 0.000 0.492 2490 V N 0.844 120.697 119.914 -0.103 0.000 2.358 2490 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 2490 V C 1.798 177.622 176.094 -0.451 0.000 1.047 2490 V CA 1.593 63.670 62.300 -0.372 0.000 1.035 2490 V CB -0.889 30.677 31.823 -0.427 0.000 0.658 2490 V HN 0.446 nan 8.190 nan 0.000 0.452 2491 F N -0.582 119.306 119.950 -0.103 0.000 2.234 2491 F HA -0.082 4.445 4.527 -0.001 0.000 0.299 2491 F C 2.178 177.938 175.800 -0.067 0.000 1.087 2491 F CA 1.280 59.236 58.000 -0.073 0.000 1.340 2491 F CB -0.389 38.599 39.000 -0.020 0.000 1.031 2491 F HN 0.042 nan 8.300 nan 0.000 0.500 2492 L N 0.054 121.318 121.223 0.068 0.000 2.027 2492 L HA -0.215 4.125 4.340 -0.001 0.000 0.206 2492 L C 2.500 179.320 176.870 -0.085 0.000 1.074 2492 L CA 1.582 56.432 54.840 0.016 0.000 0.745 2492 L CB -0.246 41.820 42.059 0.011 0.000 0.898 2492 L HN 0.088 nan 8.230 nan 0.000 0.433 2493 E N 0.070 120.119 120.200 -0.252 0.000 2.150 2493 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 2493 E C 1.914 178.403 176.600 -0.186 0.000 0.985 2493 E CA 1.322 57.532 56.400 -0.317 0.000 0.814 2493 E CB -0.029 29.231 29.700 -0.733 0.000 0.752 2493 E HN 0.519 nan 8.360 nan 0.000 0.466 2494 A N 0.666 123.386 122.820 -0.166 0.000 1.898 2494 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 2494 A C 2.424 180.000 177.584 -0.013 0.000 1.181 2494 A CA 1.704 53.685 52.037 -0.093 0.000 0.620 2494 A CB -0.963 17.975 19.000 -0.103 0.000 0.819 2494 A HN 0.365 nan 8.150 nan 0.000 0.442 2495 A N 0.340 123.173 122.820 0.022 0.000 1.873 2495 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 2495 A C 2.097 179.697 177.584 0.028 0.000 1.193 2495 A CA 2.034 54.105 52.037 0.056 0.000 0.629 2495 A CB -0.571 18.474 19.000 0.076 0.000 0.826 2495 A HN 0.549 nan 8.150 nan 0.000 0.447 2496 K N -0.350 120.051 120.400 0.002 0.000 2.152 2496 K HA -0.052 4.267 4.320 -0.001 0.000 0.206 2496 K C 2.175 178.775 176.600 -0.001 0.000 1.048 2496 K CA 1.108 57.394 56.287 -0.002 0.000 0.933 2496 K CB -0.321 32.172 32.500 -0.012 0.000 0.721 2496 K HN 0.465 nan 8.250 nan 0.000 0.447 2497 A N 1.126 123.941 122.820 -0.009 0.000 1.968 2497 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 2497 A C 2.037 179.630 177.584 0.015 0.000 1.169 2497 A CA 0.893 52.929 52.037 -0.001 0.000 0.638 2497 A CB -0.301 18.690 19.000 -0.014 0.000 0.812 2497 A HN 0.219 nan 8.150 nan 0.000 0.446 2498 L N -0.735 120.502 121.223 0.024 0.000 2.007 2498 L HA -0.034 4.305 4.340 -0.001 0.000 0.205 2498 L C 2.533 179.416 176.870 0.022 0.000 1.073 2498 L CA 2.822 57.687 54.840 0.041 0.000 0.744 2498 L CB -1.104 40.993 42.059 0.064 0.000 0.898 2498 L HN 0.328 nan 8.230 nan 0.000 0.435 2499 T N -1.568 112.989 114.554 0.005 0.000 2.962 2499 T HA -0.117 4.232 4.350 -0.001 0.000 0.270 2499 T C 1.948 176.641 174.700 -0.012 0.000 1.088 2499 T CA 1.400 63.483 62.100 -0.028 0.000 1.127 2499 T CB -0.507 68.335 68.868 -0.044 0.000 0.883 2499 T HN 0.674 nan 8.240 nan 0.000 0.493 2500 S N 0.236 115.937 115.700 0.002 0.000 2.515 2500 S HA -0.001 4.468 4.470 -0.001 0.000 0.231 2500 S C 1.840 176.447 174.600 0.011 0.000 0.987 2500 S CA 0.402 58.606 58.200 0.006 0.000 0.936 2500 S CB -0.364 62.842 63.200 0.010 0.000 0.766 2500 S HN 0.696 nan 8.310 nan 0.000 0.528 2501 Q N 0.117 119.926 119.800 0.015 0.000 2.408 2501 Q HA 0.339 4.678 4.340 -0.001 0.000 0.205 2501 Q C 0.045 176.059 176.000 0.023 0.000 0.919 2501 Q CA -0.092 55.725 55.803 0.024 0.000 0.932 2501 Q CB 0.052 28.812 28.738 0.037 0.000 1.058 2501 Q HN 0.522 nan 8.270 nan 0.000 0.517 2502 L N 2.859 124.089 121.223 0.011 0.000 2.462 2502 L HA 0.049 4.388 4.340 -0.001 0.000 0.272 2502 L C 0.683 177.560 176.870 0.013 0.000 1.166 2502 L CA -0.123 54.722 54.840 0.009 0.000 0.880 2502 L CB 0.601 42.650 42.059 -0.016 0.000 1.142 2502 L HN 0.176 nan 8.230 nan 0.000 0.473 2503 T N -1.282 113.284 114.554 0.020 0.000 2.874 2503 T HA 0.135 4.484 4.350 -0.001 0.000 0.281 2503 T C 0.794 175.505 174.700 0.019 0.000 0.994 2503 T CA -0.923 61.188 62.100 0.019 0.000 1.015 2503 T CB 1.304 70.184 68.868 0.021 0.000 1.028 2503 T HN 0.496 nan 8.240 nan 0.000 0.523 2504 D N 0.655 121.065 120.400 0.017 0.000 2.178 2504 D HA -0.076 4.563 4.640 -0.001 0.000 0.202 2504 D C 1.815 178.128 176.300 0.022 0.000 0.974 2504 D CA 1.167 55.179 54.000 0.019 0.000 0.841 2504 D CB 0.037 40.847 40.800 0.017 0.000 0.953 2504 D HN 0.684 nan 8.370 nan 0.000 0.478 2505 E N 1.178 121.389 120.200 0.020 0.000 2.110 2505 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 2505 E C 1.841 178.457 176.600 0.025 0.000 0.988 2505 E CA 0.767 57.178 56.400 0.019 0.000 0.804 2505 E CB -0.197 29.512 29.700 0.015 0.000 0.745 2505 E HN 0.435 nan 8.360 nan 0.000 0.458 2506 E N 0.194 120.413 120.200 0.031 0.000 2.285 2506 E HA -0.040 4.309 4.350 -0.001 0.000 0.194 2506 E C 1.957 178.588 176.600 0.051 0.000 0.997 2506 E CA 0.173 56.599 56.400 0.043 0.000 0.845 2506 E CB 0.015 29.744 29.700 0.047 0.000 0.782 2506 E HN 0.230 nan 8.360 nan 0.000 0.491 2507 L N 0.694 121.943 121.223 0.043 0.000 2.072 2507 L HA -0.092 4.247 4.340 -0.001 0.000 0.205 2507 L C 2.431 179.344 176.870 0.072 0.000 1.079 2507 L CA 0.866 55.736 54.840 0.050 0.000 0.752 2507 L CB -0.213 41.868 42.059 0.036 0.000 0.906 2507 L HN 0.125 nan 8.230 nan 0.000 0.436 2508 A N -0.614 122.239 122.820 0.055 0.000 1.908 2508 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 2508 A C 2.066 179.686 177.584 0.059 0.000 1.181 2508 A CA 1.789 53.858 52.037 0.054 0.000 0.627 2508 A CB -0.551 18.463 19.000 0.024 0.000 0.818 2508 A HN 0.581 nan 8.150 nan 0.000 0.445 2509 Q N -2.051 117.778 119.800 0.048 0.000 2.234 2509 Q HA 0.059 4.399 4.340 -0.001 0.000 0.206 2509 Q C 1.265 177.344 176.000 0.133 0.000 0.980 2509 Q CA 0.932 56.758 55.803 0.038 0.000 0.869 2509 Q CB -0.155 28.608 28.738 0.042 0.000 0.912 2509 Q HN 0.986 nan 8.270 nan 0.000 0.436 2510 G N 0.432 109.346 108.800 0.191 0.000 2.159 2510 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.170 2510 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.170 2510 G C -0.327 174.723 174.900 0.250 0.000 1.007 2510 G CA -0.574 44.708 45.100 0.303 0.000 0.672 2510 G HN 0.113 nan 8.290 nan 0.000 0.507 2511 R N 0.099 120.698 120.500 0.165 0.000 2.267 2511 R HA 0.526 4.865 4.340 -0.001 0.000 0.319 2511 R C 1.201 177.525 176.300 0.039 0.000 1.067 2511 R CA -0.339 55.840 56.100 0.131 0.000 0.936 2511 R CB 0.509 30.878 30.300 0.115 0.000 1.006 2511 R HN 0.251 nan 8.270 nan 0.000 0.452 2512 L N 3.504 124.700 121.223 -0.045 0.000 2.607 2512 L HA 0.228 4.567 4.340 -0.001 0.000 0.228 2512 L C -0.539 175.910 176.870 -0.701 0.000 1.123 2512 L CA 0.150 54.797 54.840 -0.322 0.000 0.890 2512 L CB 0.097 41.926 42.059 -0.383 0.000 1.103 2512 L HN 0.585 nan 8.230 nan 0.000 0.468 2513 Y N -1.838 118.406 120.300 -0.093 0.000 2.597 2513 Y HA 0.415 4.964 4.550 -0.001 0.000 0.340 2513 Y C -2.462 173.385 175.900 -0.089 0.000 1.097 2513 Y CA -2.585 55.379 58.100 -0.226 0.000 1.037 2513 Y CB 1.123 39.262 38.460 -0.534 0.000 1.305 2513 Y HN -0.226 nan 8.280 nan 0.000 0.463 2514 P HA 0.103 nan 4.420 nan 0.000 0.269 2514 P C -2.607 174.848 177.300 0.257 0.000 1.215 2514 P CA -0.937 62.260 63.100 0.161 0.000 0.780 2514 P CB 0.065 31.870 31.700 0.175 0.000 0.898 2515 P HA -0.040 nan 4.420 nan 0.000 0.265 2515 P C 0.701 178.105 177.300 0.174 0.000 1.187 2515 P CA 0.011 63.213 63.100 0.170 0.000 0.766 2515 P CB 0.305 32.067 31.700 0.104 0.000 0.820 2516 L N 3.989 125.296 121.223 0.140 0.000 2.201 2516 L HA -0.109 4.230 4.340 -0.001 0.000 0.212 2516 L C 2.081 178.936 176.870 -0.025 0.000 1.105 2516 L CA 1.748 56.595 54.840 0.012 0.000 0.775 2516 L CB -1.552 40.505 42.059 -0.003 0.000 0.913 2516 L HN 0.425 nan 8.230 nan 0.000 0.440 2517 A N -0.875 121.955 122.820 0.017 0.000 2.070 2517 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 2517 A C 1.833 179.414 177.584 -0.005 0.000 1.159 2517 A CA 1.827 53.866 52.037 0.003 0.000 0.656 2517 A CB -0.770 18.241 19.000 0.018 0.000 0.800 2517 A HN 0.692 nan 8.150 nan 0.000 0.453 2518 N N -1.040 117.666 118.700 0.011 0.000 2.230 2518 N HA 0.140 4.879 4.740 -0.001 0.000 0.202 2518 N C 1.133 176.637 175.510 -0.010 0.000 1.119 2518 N CA -0.052 53.005 53.050 0.010 0.000 0.851 2518 N CB 0.126 38.638 38.487 0.040 0.000 0.990 2518 N HN 0.362 nan 8.380 nan 0.000 0.497 2519 I N 1.729 122.263 120.570 -0.059 0.000 2.290 2519 I HA -0.371 3.799 4.170 -0.001 0.000 0.253 2519 I C 1.808 177.859 176.117 -0.110 0.000 1.112 2519 I CA 1.828 63.046 61.300 -0.138 0.000 1.377 2519 I CB 0.093 37.927 38.000 -0.277 0.000 1.060 2519 I HN 0.160 nan 8.210 nan 0.000 0.428 2520 Q N 0.325 120.077 119.800 -0.080 0.000 2.020 2520 Q HA -0.198 4.142 4.340 -0.001 0.000 0.198 2520 Q C 2.132 178.105 176.000 -0.046 0.000 0.974 2520 Q CA 2.025 57.787 55.803 -0.068 0.000 0.829 2520 Q CB -0.479 28.227 28.738 -0.053 0.000 0.894 2520 Q HN 0.759 nan 8.270 nan 0.000 0.433 2521 E N 0.180 120.363 120.200 -0.027 0.000 2.106 2521 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 2521 E C 1.886 178.484 176.600 -0.003 0.000 0.984 2521 E CA 1.422 57.814 56.400 -0.014 0.000 0.806 2521 E CB -0.299 29.399 29.700 -0.004 0.000 0.750 2521 E HN 0.117 nan 8.360 nan 0.000 0.458 2522 V N 1.470 121.389 119.914 0.008 0.000 2.407 2522 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 2522 V C 2.385 178.487 176.094 0.013 0.000 1.055 2522 V CA 1.981 64.302 62.300 0.036 0.000 1.049 2522 V CB -0.326 31.556 31.823 0.098 0.000 0.662 2522 V HN 0.299 nan 8.190 nan 0.000 0.455 2523 S N -0.126 115.557 115.700 -0.029 0.000 2.355 2523 S HA -0.085 4.384 4.470 -0.001 0.000 0.222 2523 S C 1.945 176.514 174.600 -0.051 0.000 1.031 2523 S CA 1.168 59.331 58.200 -0.063 0.000 0.993 2523 S CB -0.223 62.906 63.200 -0.118 0.000 0.859 2523 S HN 0.371 nan 8.310 nan 0.000 0.453 2524 I N 2.970 123.515 120.570 -0.041 0.000 2.127 2524 I HA -0.175 3.994 4.170 -0.001 0.000 0.241 2524 I C 1.986 178.095 176.117 -0.013 0.000 1.075 2524 I CA 1.330 62.612 61.300 -0.030 0.000 1.334 2524 I CB -1.728 36.257 38.000 -0.025 0.000 1.040 2524 I HN 0.260 nan 8.210 nan 0.000 0.405 2525 N N 0.991 119.688 118.700 -0.004 0.000 2.137 2525 N HA -0.159 4.581 4.740 -0.001 0.000 0.190 2525 N C 1.951 177.465 175.510 0.007 0.000 1.017 2525 N CA 1.228 54.283 53.050 0.008 0.000 0.859 2525 N CB -0.308 38.187 38.487 0.014 0.000 1.002 2525 N HN 0.413 nan 8.380 nan 0.000 0.428 2526 I N 0.679 121.247 120.570 -0.003 0.000 2.353 2526 I HA -0.177 3.993 4.170 -0.001 0.000 0.248 2526 I C 2.246 178.349 176.117 -0.023 0.000 1.119 2526 I CA 0.677 61.969 61.300 -0.014 0.000 1.417 2526 I CB -0.226 37.761 38.000 -0.022 0.000 1.078 2526 I HN 0.055 nan 8.210 nan 0.000 0.421 2527 A N 1.311 124.116 122.820 -0.025 0.000 1.877 2527 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 2527 A C 2.285 179.885 177.584 0.026 0.000 1.186 2527 A CA 1.423 53.449 52.037 -0.018 0.000 0.620 2527 A CB -0.769 18.215 19.000 -0.028 0.000 0.822 2527 A HN 0.339 nan 8.150 nan 0.000 0.443 2528 I N -0.446 120.146 120.570 0.036 0.000 2.127 2528 I HA -0.288 3.881 4.170 -0.001 0.000 0.241 2528 I C 2.407 178.570 176.117 0.076 0.000 1.075 2528 I CA 1.494 62.836 61.300 0.069 0.000 1.334 2528 I CB -0.347 37.685 38.000 0.054 0.000 1.040 2528 I HN 0.193 nan 8.210 nan 0.000 0.405 2529 K N 0.557 120.987 120.400 0.050 0.000 2.103 2529 K HA -0.119 4.200 4.320 -0.001 0.000 0.207 2529 K C 2.074 178.719 176.600 0.075 0.000 1.048 2529 K CA 1.172 57.492 56.287 0.055 0.000 0.930 2529 K CB -0.538 31.977 32.500 0.025 0.000 0.716 2529 K HN 0.256 nan 8.250 nan 0.000 0.444 2530 V N 1.514 121.452 119.914 0.041 0.000 2.591 2530 V HA -0.174 3.946 4.120 -0.001 0.000 0.249 2530 V C 2.576 178.740 176.094 0.115 0.000 1.053 2530 V CA 2.082 64.408 62.300 0.044 0.000 1.068 2530 V CB -0.848 30.942 31.823 -0.055 0.000 0.689 2530 V HN 0.507 nan 8.190 nan 0.000 0.462 2531 T N -1.696 112.928 114.554 0.116 0.000 2.857 2531 T HA -0.174 4.175 4.350 -0.001 0.000 0.266 2531 T C 1.621 176.462 174.700 0.235 0.000 1.048 2531 T CA 1.462 63.659 62.100 0.162 0.000 1.139 2531 T CB -0.316 68.696 68.868 0.239 0.000 0.874 2531 T HN 0.572 nan 8.240 nan 0.000 0.455 2532 E N -0.023 120.297 120.200 0.201 0.000 2.110 2532 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 2532 E C 1.882 178.585 176.600 0.172 0.000 0.988 2532 E CA 1.200 57.708 56.400 0.180 0.000 0.804 2532 E CB -0.315 29.459 29.700 0.124 0.000 0.745 2532 E HN 0.677 nan 8.360 nan 0.000 0.458 2533 Y N 1.501 121.831 120.300 0.049 0.000 2.163 2533 Y HA -0.168 4.381 4.550 -0.001 0.000 0.288 2533 Y C 1.987 177.893 175.900 0.009 0.000 1.136 2533 Y CA 1.280 59.393 58.100 0.022 0.000 1.147 2533 Y CB -0.136 38.322 38.460 -0.003 0.000 0.987 2533 Y HN -0.081 nan 8.280 nan 0.000 0.509 2534 L N -1.267 119.989 121.223 0.054 0.000 2.046 2534 L HA -0.274 4.065 4.340 -0.001 0.000 0.208 2534 L C 2.183 178.937 176.870 -0.193 0.000 1.077 2534 L CA 1.705 56.487 54.840 -0.096 0.000 0.747 2534 L CB -0.880 41.123 42.059 -0.092 0.000 0.896 2534 L HN 0.259 nan 8.230 nan 0.000 0.432 2535 Y N -0.291 119.952 120.300 -0.094 0.000 2.163 2535 Y HA -0.236 4.313 4.550 -0.001 0.000 0.288 2535 Y C 2.634 178.441 175.900 -0.156 0.000 1.136 2535 Y CA 1.046 59.070 58.100 -0.127 0.000 1.147 2535 Y CB -0.327 38.075 38.460 -0.096 0.000 0.987 2535 Y HN 0.132 nan 8.280 nan 0.000 0.509 2536 A N -0.238 122.590 122.820 0.013 0.000 2.178 2536 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 2536 A C 1.375 178.864 177.584 -0.158 0.000 1.157 2536 A CA 1.562 53.556 52.037 -0.071 0.000 0.689 2536 A CB -0.405 18.552 19.000 -0.073 0.000 0.787 2536 A HN 0.477 nan 8.150 nan 0.000 0.465 2537 N N -0.732 117.824 118.700 -0.240 0.000 2.235 2537 N HA 0.154 4.893 4.740 -0.001 0.000 0.231 2537 N C -0.589 174.821 175.510 -0.167 0.000 1.177 2537 N CA -0.029 52.871 53.050 -0.250 0.000 0.874 2537 N CB 0.524 38.747 38.487 -0.441 0.000 1.097 2537 N HN 0.160 nan 8.380 nan 0.000 0.518 2541 F N 0.514 120.416 119.950 -0.080 0.000 2.825 2541 F HA 0.321 4.847 4.527 -0.001 0.000 0.322 2541 F C 1.115 177.012 175.800 0.162 0.000 1.127 2541 F CA -0.294 57.736 58.000 0.051 0.000 1.164 2541 F CB 0.852 39.875 39.000 0.038 0.000 1.101 2541 F HN 0.530 nan 8.300 nan 0.000 0.529 2542 R N 2.592 123.260 120.500 0.280 0.000 2.272 2542 R HA 0.107 4.446 4.340 -0.001 0.000 0.334 2542 R C -1.019 175.487 176.300 0.343 0.000 1.117 2542 R CA -0.158 56.135 56.100 0.321 0.000 0.966 2542 R CB -0.657 29.809 30.300 0.277 0.000 1.049 2542 R HN 0.423 nan 8.270 nan 0.000 0.477 2543 Y N 3.794 124.174 120.300 0.133 0.000 2.352 2543 Y HA 0.678 5.227 4.550 -0.001 0.000 0.326 2543 Y C -2.041 173.889 175.900 0.051 0.000 1.166 2543 Y CA -2.369 55.777 58.100 0.076 0.000 1.182 2543 Y CB 0.475 38.976 38.460 0.068 0.000 1.216 2543 Y HN 0.406 nan 8.280 nan 0.000 0.474 2544 P HA 0.104 nan 4.420 nan 0.000 0.276 2544 P C -1.188 176.058 177.300 -0.090 0.000 1.252 2544 P CA -0.590 62.503 63.100 -0.012 0.000 0.802 2544 P CB 1.220 32.885 31.700 -0.059 0.000 1.035 2545 E N 2.311 122.428 120.200 -0.140 0.000 2.351 2545 E HA 0.093 4.442 4.350 -0.001 0.000 0.266 2545 E C -1.651 174.671 176.600 -0.464 0.000 1.031 2545 E CA -1.665 54.475 56.400 -0.432 0.000 0.911 2545 E CB 0.110 29.522 29.700 -0.480 0.000 0.986 2545 E HN 0.262 nan 8.360 nan 0.000 0.446 2546 P HA -0.051 nan 4.420 nan 0.000 0.268 2546 P C 0.163 177.260 177.300 -0.339 0.000 1.204 2546 P CA 0.045 62.861 63.100 -0.474 0.000 0.768 2546 P CB 1.217 32.470 31.700 -0.745 0.000 0.842 2547 E N 1.448 121.528 120.200 -0.199 0.000 2.046 2547 E HA -0.145 4.205 4.350 -0.001 0.000 0.190 2547 E C 0.037 176.575 176.600 -0.103 0.000 0.982 2547 E CA 1.293 57.609 56.400 -0.140 0.000 0.800 2547 E CB -0.030 29.616 29.700 -0.089 0.000 0.756 2547 E HN 0.476 nan 8.360 nan 0.000 0.449 2548 D N 0.147 120.509 120.400 -0.063 0.000 2.477 2548 D HA 0.109 4.748 4.640 -0.001 0.000 0.239 2548 D C 0.424 176.744 176.300 0.033 0.000 1.102 2548 D CA -0.263 53.729 54.000 -0.014 0.000 0.901 2548 D CB 0.689 41.494 40.800 0.008 0.000 1.026 2548 D HN -0.253 nan 8.370 nan 0.000 0.515 2549 K N 1.924 122.339 120.400 0.024 0.000 2.113 2549 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 2549 K C 1.815 178.512 176.600 0.162 0.000 1.047 2549 K CA 1.474 57.830 56.287 0.115 0.000 0.928 2549 K CB -0.256 32.302 32.500 0.098 0.000 0.716 2549 K HN 0.441 nan 8.250 nan 0.000 0.446 2550 A N 0.948 123.823 122.820 0.092 0.000 1.858 2550 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 2550 A C 2.135 179.762 177.584 0.071 0.000 1.190 2550 A CA 1.909 53.989 52.037 0.070 0.000 0.617 2550 A CB -0.493 18.532 19.000 0.042 0.000 0.827 2550 A HN 0.300 nan 8.150 nan 0.000 0.443 2551 K N -1.947 118.496 120.400 0.073 0.000 2.147 2551 K HA -0.192 4.127 4.320 -0.001 0.000 0.205 2551 K C 1.882 178.541 176.600 0.098 0.000 1.049 2551 K CA 1.553 57.878 56.287 0.063 0.000 0.936 2551 K CB -0.330 32.201 32.500 0.053 0.000 0.722 2551 K HN 0.552 nan 8.250 nan 0.000 0.446 2552 Y N 0.924 121.226 120.300 0.003 0.000 2.133 2552 Y HA -0.219 4.330 4.550 -0.001 0.000 0.287 2552 Y C 1.851 177.765 175.900 0.023 0.000 1.134 2552 Y CA 1.459 59.566 58.100 0.013 0.000 1.133 2552 Y CB -0.519 37.953 38.460 0.020 0.000 0.987 2552 Y HN -0.184 nan 8.280 nan 0.000 0.502 2553 V N 1.113 120.988 119.914 -0.066 0.000 2.237 2553 V HA -0.331 3.788 4.120 -0.001 0.000 0.245 2553 V C 2.292 178.312 176.094 -0.124 0.000 1.046 2553 V CA 2.497 64.703 62.300 -0.156 0.000 1.007 2553 V CB -0.672 31.143 31.823 -0.013 0.000 0.638 2553 V HN 0.351 nan 8.190 nan 0.000 0.445 2554 K N -0.233 120.134 120.400 -0.055 0.000 2.160 2554 K HA -0.271 4.048 4.320 -0.001 0.000 0.206 2554 K C 2.146 178.710 176.600 -0.061 0.000 1.047 2554 K CA 1.825 58.084 56.287 -0.046 0.000 0.930 2554 K CB -0.206 32.281 32.500 -0.022 0.000 0.720 2554 K HN 0.540 nan 8.250 nan 0.000 0.450 2555 E N 0.883 121.041 120.200 -0.070 0.000 2.204 2555 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 2555 E C 1.154 177.700 176.600 -0.089 0.000 0.989 2555 E CA 0.778 57.139 56.400 -0.066 0.000 0.824 2555 E CB 0.261 29.935 29.700 -0.043 0.000 0.756 2555 E HN 0.188 nan 8.360 nan 0.000 0.477 2556 R N 0.424 120.839 120.500 -0.142 0.000 2.466 2556 R HA 0.079 4.418 4.340 -0.001 0.000 0.279 2556 R C 0.008 176.272 176.300 -0.060 0.000 0.976 2556 R CA 0.204 56.230 56.100 -0.123 0.000 1.081 2556 R CB 0.786 30.949 30.300 -0.229 0.000 1.215 2556 R HN 0.055 nan 8.270 nan 0.000 0.546 2557 T N -2.334 112.193 114.554 -0.045 0.000 2.856 2557 T HA 0.125 4.474 4.350 -0.001 0.000 0.292 2557 T C -0.263 174.469 174.700 0.054 0.000 0.980 2557 T CA -0.782 61.320 62.100 0.004 0.000 1.091 2557 T CB 1.285 70.143 68.868 -0.017 0.000 0.936 2557 T HN 0.248 nan 8.240 nan 0.000 0.503 2558 W N 3.744 124.988 121.300 -0.093 0.000 2.190 2558 W HA 0.399 5.058 4.660 -0.001 0.000 0.330 2558 W C 0.131 176.593 176.519 -0.095 0.000 1.299 2558 W CA -0.775 56.516 57.345 -0.090 0.000 1.215 2558 W CB 0.516 29.910 29.460 -0.110 0.000 1.147 2558 W HN 0.715 nan 8.180 nan 0.000 0.563 2559 R N 3.184 123.205 120.500 -0.798 0.000 2.711 2559 R HA 0.235 4.574 4.340 -0.001 0.000 0.284 2559 R C 0.998 176.507 176.300 -1.318 0.000 0.968 2559 R CA -0.122 55.528 56.100 -0.750 0.000 0.924 2559 R CB 1.737 31.770 30.300 -0.446 0.000 1.162 2559 R HN 0.607 nan 8.270 nan 0.000 0.465 2560 S N 0.300 115.528 115.700 -0.786 0.000 2.603 2560 S HA -0.022 4.447 4.470 -0.001 0.000 0.220 2560 S C 0.277 174.586 174.600 -0.484 0.000 0.967 2560 S CA -0.132 57.696 58.200 -0.620 0.000 0.920 2560 S CB 0.021 63.110 63.200 -0.185 0.000 0.773 2560 S HN 0.506 nan 8.310 nan 0.000 0.529 2561 E N 1.604 121.545 120.200 -0.432 0.000 2.384 2561 E HA 0.079 4.428 4.350 -0.001 0.000 0.266 2561 E C -0.707 175.741 176.600 -0.253 0.000 1.012 2561 E CA -0.357 55.844 56.400 -0.332 0.000 0.901 2561 E CB 0.168 29.735 29.700 -0.221 0.000 0.967 2561 E HN 0.553 nan 8.360 nan 0.000 0.435 2562 Y N 1.358 121.577 120.300 -0.134 0.000 2.717 2562 Y HA -0.066 4.484 4.550 -0.001 0.000 0.330 2562 Y C 0.921 176.763 175.900 -0.098 0.000 1.217 2562 Y CA 0.008 58.040 58.100 -0.114 0.000 1.506 2562 Y CB 0.571 38.965 38.460 -0.109 0.000 1.268 2562 Y HN 0.295 nan 8.280 nan 0.000 0.561 2563 D N 1.599 122.063 120.400 0.106 0.000 2.225 2563 D HA 0.044 4.684 4.640 -0.001 0.000 0.249 2563 D C -0.374 175.955 176.300 0.049 0.000 1.052 2563 D CA -0.290 53.737 54.000 0.045 0.000 0.909 2563 D CB 1.778 42.601 40.800 0.037 0.000 1.186 2563 D HN 0.373 nan 8.370 nan 0.000 0.431 2564 S N 1.184 116.908 115.700 0.040 0.000 2.531 2564 S HA 0.126 4.595 4.470 -0.001 0.000 0.279 2564 S C 0.939 175.572 174.600 0.056 0.000 1.305 2564 S CA -0.422 57.805 58.200 0.044 0.000 1.058 2564 S CB 0.161 63.384 63.200 0.039 0.000 0.899 2564 S HN 0.348 nan 8.310 nan 0.000 0.493 2565 L N 5.091 126.357 121.223 0.073 0.000 2.741 2565 L HA 0.334 4.673 4.340 -0.001 0.000 0.237 2565 L C -0.069 176.842 176.870 0.067 0.000 1.178 2565 L CA -0.131 54.760 54.840 0.085 0.000 0.973 2565 L CB -0.035 42.106 42.059 0.138 0.000 1.255 2565 L HN 0.514 nan 8.230 nan 0.000 0.498 2566 L N 2.088 123.345 121.223 0.056 0.000 2.397 2566 L HA 0.230 4.569 4.340 -0.001 0.000 0.271 2566 L C -1.434 175.460 176.870 0.040 0.000 1.148 2566 L CA -1.537 53.328 54.840 0.042 0.000 0.825 2566 L CB 0.324 42.406 42.059 0.039 0.000 1.117 2566 L HN 0.001 nan 8.230 nan 0.000 0.456 2567 P HA 0.005 nan 4.420 nan 0.000 0.272 2567 P C -0.907 176.423 177.300 0.048 0.000 1.230 2567 P CA -0.471 62.648 63.100 0.030 0.000 0.788 2567 P CB 0.737 32.440 31.700 0.006 0.000 0.949 2568 D N 1.546 121.991 120.400 0.076 0.000 2.455 2568 D HA 0.131 4.770 4.640 -0.001 0.000 0.234 2568 D C -0.446 175.954 176.300 0.167 0.000 1.224 2568 D CA 0.020 54.106 54.000 0.144 0.000 0.999 2568 D CB -0.158 40.754 40.800 0.186 0.000 1.072 2568 D HN -0.041 nan 8.370 nan 0.000 0.514 2569 V N 5.310 125.291 119.914 0.111 0.000 2.481 2569 V HA 0.447 4.566 4.120 -0.001 0.000 0.286 2569 V C -0.286 175.895 176.094 0.145 0.000 1.042 2569 V CA -0.376 61.931 62.300 0.012 0.000 0.928 2569 V CB 0.789 32.600 31.823 -0.020 0.000 0.986 2569 V HN 0.415 nan 8.190 nan 0.000 0.462 2570 Y N 1.257 121.546 120.300 -0.017 0.000 2.662 2570 Y HA 0.606 5.155 4.550 -0.001 0.000 0.334 2570 Y C -0.838 175.076 175.900 0.023 0.000 1.185 2570 Y CA -1.253 56.858 58.100 0.019 0.000 1.074 2570 Y CB 1.126 39.621 38.460 0.059 0.000 1.330 2570 Y HN 0.428 nan 8.280 nan 0.000 0.458 2571 E N 1.573 121.920 120.200 0.245 0.000 2.313 2571 E HA 0.119 4.468 4.350 -0.001 0.000 0.276 2571 E C -1.495 175.346 176.600 0.402 0.000 1.031 2571 E CA -0.184 56.333 56.400 0.195 0.000 0.857 2571 E CB 0.772 30.559 29.700 0.144 0.000 1.040 2571 E HN 0.678 nan 8.360 nan 0.000 0.408 2572 W N 4.666 126.016 121.300 0.084 0.000 2.365 2572 W HA 0.287 4.947 4.660 -0.001 0.000 0.316 2572 W C -1.340 175.217 176.519 0.064 0.000 1.164 2572 W CA -2.076 55.327 57.345 0.097 0.000 1.204 2572 W CB -0.078 29.409 29.460 0.045 0.000 1.213 2572 W HN 0.402 nan 8.180 nan 0.000 0.539 2573 P HA 0.000 nan 4.420 nan 0.000 0.216 2573 P CA 0.000 63.148 63.100 0.080 0.000 0.800 2573 P CB 0.000 31.709 31.700 0.015 0.000 0.726