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 2dqy_1_B DATA FIRST_RESID 2021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2021 S HA 0.000 nan 4.470 nan 0.000 0.327 2021 S C 0.000 174.666 174.600 0.110 0.000 1.055 2021 S CA 0.000 58.232 58.200 0.053 0.000 1.107 2021 S CB 0.000 63.205 63.200 0.009 0.000 0.593 2022 S N 2.876 118.683 115.700 0.180 0.000 2.532 2022 S HA 0.775 5.245 4.470 0.000 0.000 0.299 2022 S C -3.111 171.619 174.600 0.216 0.000 1.105 2022 S CA -1.350 56.947 58.200 0.163 0.000 1.018 2022 S CB 1.066 64.338 63.200 0.120 0.000 1.021 2022 S HN 0.331 nan 8.310 nan 0.000 0.483 2023 P HA 0.147 nan 4.420 nan 0.000 0.263 2023 P C -2.605 174.600 177.300 -0.158 0.000 1.175 2023 P CA -0.560 62.481 63.100 -0.098 0.000 0.761 2023 P CB -0.267 31.383 31.700 -0.082 0.000 0.794 2024 P HA 0.048 nan 4.420 nan 0.000 0.267 2024 P C -0.825 176.462 177.300 -0.022 0.000 1.209 2024 P CA 0.415 63.334 63.100 -0.302 0.000 0.763 2024 P CB 0.456 31.777 31.700 -0.632 0.000 0.816 2025 V N 5.378 125.341 119.914 0.082 0.000 2.357 2025 V HA 0.203 4.323 4.120 0.000 0.000 0.281 2025 V C 0.231 176.379 176.094 0.090 0.000 1.015 2025 V CA -0.559 61.817 62.300 0.127 0.000 0.827 2025 V CB 1.750 33.628 31.823 0.091 0.000 1.018 2025 V HN 0.235 nan 8.190 nan 0.000 0.432 2026 V N 2.870 122.824 119.914 0.066 0.000 2.837 2026 V HA 0.493 4.613 4.120 0.000 0.000 0.310 2026 V C -0.204 175.833 176.094 -0.095 0.000 1.059 2026 V CA -0.539 61.650 62.300 -0.185 0.000 1.004 2026 V CB 2.175 33.546 31.823 -0.753 0.000 1.045 2026 V HN 0.792 nan 8.190 nan 0.000 0.465 2027 D N 1.728 122.044 120.400 -0.140 0.000 2.381 2027 D HA 0.428 5.068 4.640 0.000 0.000 0.235 2027 D C -0.153 176.102 176.300 -0.076 0.000 1.068 2027 D CA -0.067 53.905 54.000 -0.048 0.000 0.832 2027 D CB 1.849 42.620 40.800 -0.048 0.000 1.101 2027 D HN 0.797 nan 8.370 nan 0.000 0.515 2028 T N -0.711 113.862 114.554 0.032 0.000 2.937 2028 T HA 0.285 4.635 4.350 0.000 0.000 0.283 2028 T C 1.651 176.292 174.700 -0.098 0.000 1.012 2028 T CA -0.660 61.455 62.100 0.026 0.000 0.997 2028 T CB 1.092 70.149 68.868 0.315 0.000 1.136 2028 T HN 0.022 nan 8.240 nan 0.000 0.551 2029 V N 1.089 120.874 119.914 -0.214 0.000 2.380 2029 V HA -0.165 3.955 4.120 0.000 0.000 0.251 2029 V C 2.383 178.249 176.094 -0.381 0.000 1.063 2029 V CA 1.775 63.875 62.300 -0.333 0.000 1.055 2029 V CB -1.130 30.405 31.823 -0.479 0.000 0.657 2029 V HN 0.865 nan 8.190 nan 0.000 0.455 2030 H N -0.245 118.659 119.070 -0.276 0.000 2.539 2030 H HA 0.451 5.007 4.556 0.000 0.000 0.267 2030 H C 1.007 175.592 175.328 -1.238 0.000 0.982 2030 H CA 0.893 56.553 56.048 -0.647 0.000 1.146 2030 H CB 0.418 29.791 29.762 -0.649 0.000 1.382 2030 H HN 0.538 nan 8.280 nan 0.000 0.577 2031 G N 0.362 108.774 108.800 -0.646 0.000 2.326 2031 G HA2 -0.053 3.907 3.960 0.000 0.000 0.413 2031 G HA3 -0.053 3.907 3.960 0.000 0.000 0.413 2031 G C -1.201 173.880 174.900 0.301 0.000 1.444 2031 G CA -1.174 43.611 45.100 -0.526 0.000 1.002 2031 G HN 0.039 nan 8.290 nan 0.000 0.649 2032 K N -0.525 120.111 120.400 0.393 0.000 2.436 2032 K HA 0.423 4.743 4.320 0.000 0.000 0.275 2032 K C 0.021 176.950 176.600 0.550 0.000 0.999 2032 K CA -0.082 56.442 56.287 0.394 0.000 0.980 2032 K CB 1.171 33.828 32.500 0.262 0.000 0.919 2032 K HN 0.371 nan 8.250 nan 0.000 0.484 2033 V N 3.957 124.094 119.914 0.373 0.000 2.604 2033 V HA 0.281 4.402 4.120 0.000 0.000 0.305 2033 V C -0.712 175.583 176.094 0.335 0.000 1.043 2033 V CA -1.034 61.474 62.300 0.346 0.000 0.888 2033 V CB 1.847 33.919 31.823 0.414 0.000 0.995 2033 V HN 0.558 nan 8.190 nan 0.000 0.429 2034 L N 3.926 125.298 121.223 0.248 0.000 2.313 2034 L HA 0.886 5.226 4.340 0.000 0.000 0.283 2034 L C 0.252 177.142 176.870 0.033 0.000 1.013 2034 L CA 0.442 55.367 54.840 0.142 0.000 0.816 2034 L CB 1.066 43.152 42.059 0.045 0.000 1.236 2034 L HN 0.803 nan 8.230 nan 0.000 0.419 2035 G N 4.684 113.327 108.800 -0.263 0.000 3.209 2035 G HA2 0.651 4.611 3.960 0.000 0.000 0.236 2035 G HA3 0.651 4.611 3.960 0.000 0.000 0.236 2035 G C -1.366 173.183 174.900 -0.585 0.000 1.329 2035 G CA -0.556 44.102 45.100 -0.737 0.000 1.015 2035 G HN 0.694 nan 8.290 nan 0.000 0.571 2036 K N -1.216 118.800 120.400 -0.640 0.000 2.477 2036 K HA 0.648 4.968 4.320 0.000 0.000 0.255 2036 K C -1.710 174.633 176.600 -0.428 0.000 0.952 2036 K CA -0.832 55.197 56.287 -0.430 0.000 0.826 2036 K CB 2.170 34.523 32.500 -0.245 0.000 1.331 2036 K HN 0.280 nan 8.250 nan 0.000 0.437 2037 F N 1.207 121.090 119.950 -0.111 0.000 2.385 2037 F HA 0.468 4.995 4.527 0.000 0.000 0.336 2037 F C -0.309 175.472 175.800 -0.032 0.000 1.100 2037 F CA -0.700 57.264 58.000 -0.060 0.000 1.116 2037 F CB 1.986 40.970 39.000 -0.027 0.000 1.166 2037 F HN 0.103 nan 8.300 nan 0.000 0.511 2038 V N 2.323 122.376 119.914 0.232 0.000 2.668 2038 V HA 0.278 4.398 4.120 0.000 0.000 0.304 2038 V C -0.803 175.368 176.094 0.127 0.000 1.071 2038 V CA -0.872 61.512 62.300 0.140 0.000 0.894 2038 V CB 1.921 33.808 31.823 0.108 0.000 1.008 2038 V HN 0.729 nan 8.190 nan 0.000 0.425 2039 S N 4.780 120.538 115.700 0.096 0.000 2.480 2039 S HA 0.642 5.112 4.470 0.000 0.000 0.286 2039 S C -0.512 174.137 174.600 0.081 0.000 1.180 2039 S CA -0.405 57.843 58.200 0.080 0.000 1.075 2039 S CB 1.432 64.672 63.200 0.066 0.000 0.996 2039 S HN 0.579 nan 8.310 nan 0.000 0.487 2040 L N 4.290 125.553 121.223 0.067 0.000 2.257 2040 L HA 0.357 4.697 4.340 0.000 0.000 0.290 2040 L C 0.241 177.241 176.870 0.215 0.000 1.044 2040 L CA -0.593 54.294 54.840 0.078 0.000 0.810 2040 L CB 0.355 42.343 42.059 -0.118 0.000 1.193 2040 L HN 0.743 nan 8.230 nan 0.000 0.425 2041 E N 4.179 124.496 120.200 0.194 0.000 2.608 2041 E HA 0.357 4.707 4.350 0.000 0.000 0.259 2041 E C 0.938 177.687 176.600 0.248 0.000 0.951 2041 E CA 0.632 57.144 56.400 0.186 0.000 0.945 2041 E CB 0.104 29.889 29.700 0.142 0.000 0.916 2041 E HN 0.936 nan 8.360 nan 0.000 0.477 2042 G N 2.343 111.219 108.800 0.128 0.000 2.213 2042 G HA2 -0.225 3.735 3.960 0.000 0.000 0.226 2042 G HA3 -0.225 3.735 3.960 0.000 0.000 0.226 2042 G C -0.272 174.448 174.900 -0.301 0.000 0.992 2042 G CA -0.096 44.967 45.100 -0.061 0.000 0.632 2042 G HN 0.421 nan 8.290 nan 0.000 0.511 2043 F N 0.452 120.365 119.950 -0.061 0.000 2.520 2043 F HA 0.800 5.327 4.527 0.000 0.000 0.322 2043 F C 1.138 176.912 175.800 -0.045 0.000 1.103 2043 F CA -0.224 57.732 58.000 -0.073 0.000 0.926 2043 F CB 1.751 40.692 39.000 -0.097 0.000 1.154 2043 F HN 0.125 nan 8.300 nan 0.000 0.453 2044 A N 1.493 124.371 122.820 0.097 0.000 1.824 2044 A HA -0.076 4.244 4.320 0.000 0.000 0.215 2044 A C 0.936 178.549 177.584 0.048 0.000 1.244 2044 A CA 0.648 52.712 52.037 0.045 0.000 0.604 2044 A CB -0.755 18.249 19.000 0.007 0.000 0.900 2044 A HN 0.667 nan 8.150 nan 0.000 0.455 2045 Q N 1.856 121.686 119.800 0.050 0.000 2.388 2045 Q HA 0.098 4.438 4.340 0.000 0.000 0.302 2045 Q C -2.243 173.781 176.000 0.040 0.000 1.149 2045 Q CA -1.431 54.387 55.803 0.025 0.000 1.014 2045 Q CB -0.049 28.719 28.738 0.050 0.000 1.072 2045 Q HN 0.415 nan 8.270 nan 0.000 0.395 2046 P HA 0.014 nan 4.420 nan 0.000 0.271 2046 P C -0.841 176.555 177.300 0.159 0.000 1.218 2046 P CA -0.231 62.894 63.100 0.040 0.000 0.780 2046 P CB 0.855 32.525 31.700 -0.051 0.000 0.901 2047 V N 2.082 122.109 119.914 0.190 0.000 2.546 2047 V HA 0.366 4.486 4.120 0.000 0.000 0.284 2047 V C 0.869 177.145 176.094 0.303 0.000 1.050 2047 V CA -0.488 61.952 62.300 0.234 0.000 0.981 2047 V CB 0.819 32.747 31.823 0.176 0.000 0.990 2047 V HN 0.740 nan 8.190 nan 0.000 0.474 2048 A N 6.684 129.675 122.820 0.285 0.000 2.302 2048 A HA 0.699 5.019 4.320 0.000 0.000 0.295 2048 A C -0.384 177.173 177.584 -0.045 0.000 1.235 2048 A CA -0.283 51.768 52.037 0.023 0.000 0.876 2048 A CB -0.134 18.943 19.000 0.129 0.000 1.133 2048 A HN 0.761 nan 8.150 nan 0.000 0.533 2049 I N 2.750 123.127 120.570 -0.322 0.000 2.362 2049 I HA 0.362 4.532 4.170 0.000 0.000 0.289 2049 I C -1.230 174.543 176.117 -0.572 0.000 0.994 2049 I CA -0.240 60.854 61.300 -0.344 0.000 1.158 2049 I CB 1.321 39.186 38.000 -0.225 0.000 1.315 2049 I HN 0.533 nan 8.210 nan 0.000 0.451 2050 F N 6.760 126.559 119.950 -0.252 0.000 2.449 2050 F HA 0.518 5.045 4.527 0.000 0.000 0.342 2050 F C -0.250 175.407 175.800 -0.240 0.000 1.127 2050 F CA -0.590 57.308 58.000 -0.169 0.000 0.975 2050 F CB 1.265 40.252 39.000 -0.022 0.000 1.146 2050 F HN 0.129 nan 8.300 nan 0.000 0.444 2051 L N 3.092 124.259 121.223 -0.093 0.000 2.298 2051 L HA 0.654 4.994 4.340 0.000 0.000 0.284 2051 L C 0.638 177.459 176.870 -0.081 0.000 1.013 2051 L CA -0.736 54.024 54.840 -0.134 0.000 0.824 2051 L CB 1.504 43.364 42.059 -0.332 0.000 1.221 2051 L HN 0.925 nan 8.230 nan 0.000 0.418 2052 G N 3.455 112.243 108.800 -0.020 0.000 2.140 2052 G HA2 -0.211 3.749 3.960 0.000 0.000 0.211 2052 G HA3 -0.211 3.749 3.960 0.000 0.000 0.211 2052 G C -0.063 174.924 174.900 0.146 0.000 1.013 2052 G CA -0.626 44.457 45.100 -0.028 0.000 0.705 2052 G HN 0.510 nan 8.290 nan 0.000 0.508 2053 I N 2.746 123.371 120.570 0.093 0.000 2.436 2053 I HA 0.196 4.366 4.170 0.000 0.000 0.289 2053 I C -1.320 174.812 176.117 0.024 0.000 1.083 2053 I CA -1.782 59.535 61.300 0.028 0.000 1.372 2053 I CB 0.870 38.800 38.000 -0.117 0.000 1.408 2053 I HN -0.002 nan 8.210 nan 0.000 0.516 2054 P HA 0.018 nan 4.420 nan 0.000 0.276 2054 P C -0.227 176.949 177.300 -0.208 0.000 1.235 2054 P CA -0.000 62.919 63.100 -0.301 0.000 0.772 2054 P CB 0.605 32.152 31.700 -0.255 0.000 0.871 2055 F N 1.306 121.047 119.950 -0.349 0.000 2.682 2055 F HA 0.736 5.263 4.527 0.000 0.000 0.308 2055 F C -0.004 175.783 175.800 -0.021 0.000 1.093 2055 F CA -0.841 57.001 58.000 -0.263 0.000 1.244 2055 F CB 0.213 38.989 39.000 -0.373 0.000 1.052 2055 F HN 0.381 nan 8.300 nan 0.000 0.573 2056 A N 0.699 123.211 122.820 -0.513 0.000 2.610 2056 A HA 0.499 4.819 4.320 0.000 0.000 0.291 2056 A C -1.317 176.055 177.584 -0.354 0.000 1.086 2056 A CA -1.113 50.711 52.037 -0.354 0.000 0.677 2056 A CB 0.939 19.648 19.000 -0.484 0.000 1.278 2056 A HN 0.200 nan 8.150 nan 0.000 0.414 2057 K N 1.087 121.361 120.400 -0.209 0.000 2.322 2057 K HA 0.402 4.722 4.320 0.000 0.000 0.283 2057 K C -2.412 174.063 176.600 -0.208 0.000 1.042 2057 K CA -1.526 54.655 56.287 -0.176 0.000 0.958 2057 K CB 0.292 32.730 32.500 -0.104 0.000 0.984 2057 K HN 0.317 nan 8.250 nan 0.000 0.473 2058 P HA -0.077 nan 4.420 nan 0.000 0.253 2058 P C -2.349 174.862 177.300 -0.148 0.000 1.159 2058 P CA -0.628 62.363 63.100 -0.182 0.000 0.779 2058 P CB 0.123 31.753 31.700 -0.117 0.000 0.745 2059 P HA -0.002 nan 4.420 nan 0.000 0.249 2059 P C -0.366 176.847 177.300 -0.144 0.000 1.686 2059 P CA 0.445 63.455 63.100 -0.151 0.000 0.873 2059 P CB -0.018 31.589 31.700 -0.155 0.000 1.828 2060 L N -0.728 120.425 121.223 -0.117 0.000 2.454 2060 L HA 0.519 4.859 4.340 0.000 0.000 0.256 2060 L C 1.746 178.560 176.870 -0.094 0.000 1.136 2060 L CA -0.063 54.719 54.840 -0.097 0.000 0.804 2060 L CB -0.123 41.892 42.059 -0.073 0.000 1.181 2060 L HN 0.240 nan 8.230 nan 0.000 0.469 2061 G N 1.184 109.937 108.800 -0.080 0.000 2.634 2061 G HA2 -0.286 3.674 3.960 0.000 0.000 0.309 2061 G HA3 -0.286 3.674 3.960 0.000 0.000 0.309 2061 G C -1.358 173.491 174.900 -0.085 0.000 1.265 2061 G CA 0.281 45.340 45.100 -0.069 0.000 0.998 2061 G HN 0.638 nan 8.290 nan 0.000 0.551 2062 P HA 0.028 nan 4.420 nan 0.000 0.225 2062 P C 1.974 179.228 177.300 -0.077 0.000 1.148 2062 P CA 1.210 64.285 63.100 -0.041 0.000 0.779 2062 P CB -0.047 31.648 31.700 -0.009 0.000 0.780 2063 L N -0.958 120.202 121.223 -0.105 0.000 2.552 2063 L HA 0.042 4.382 4.340 0.000 0.000 0.227 2063 L C 1.786 178.516 176.870 -0.234 0.000 1.146 2063 L CA -0.014 54.744 54.840 -0.137 0.000 0.858 2063 L CB -0.400 41.589 42.059 -0.116 0.000 0.969 2063 L HN -0.055 nan 8.230 nan 0.000 0.451 2064 R N 0.363 120.691 120.500 -0.287 0.000 2.543 2064 R HA -0.003 4.337 4.340 0.000 0.000 0.277 2064 R C -0.246 175.685 176.300 -0.616 0.000 1.074 2064 R CA -0.230 55.544 56.100 -0.543 0.000 1.076 2064 R CB 0.265 30.170 30.300 -0.658 0.000 0.993 2064 R HN 0.046 nan 8.270 nan 0.000 0.459 2065 F N 0.189 119.761 119.950 -0.630 0.000 3.071 2065 F HA -0.264 4.263 4.527 0.000 0.000 0.295 2065 F C -0.014 174.812 175.800 -1.624 0.000 0.919 2065 F CA 1.400 58.668 58.000 -1.220 0.000 1.050 2065 F CB -2.487 36.252 39.000 -0.435 0.000 1.040 2065 F HN 0.672 nan 8.300 nan 0.000 0.692 2066 T N -3.588 110.237 114.554 -1.216 0.000 2.868 2066 T HA 0.754 5.104 4.350 0.000 0.000 0.306 2066 T C -3.052 171.480 174.700 -0.280 0.000 1.224 2066 T CA -2.299 59.386 62.100 -0.693 0.000 1.012 2066 T CB 3.285 71.990 68.868 -0.272 0.000 1.221 2066 T HN -0.241 nan 8.240 nan 0.000 0.499 2067 P HA 0.254 nan 4.420 nan 0.000 0.269 2067 P C -2.398 174.957 177.300 0.091 0.000 1.217 2067 P CA -0.873 62.356 63.100 0.215 0.000 0.783 2067 P CB -0.233 31.604 31.700 0.228 0.000 0.898 2068 P HA 0.104 nan 4.420 nan 0.000 0.276 2068 P C -0.846 176.490 177.300 0.060 0.000 1.230 2068 P CA 0.101 63.236 63.100 0.059 0.000 0.776 2068 P CB 0.844 32.607 31.700 0.105 0.000 0.888 2069 Q N 3.036 122.844 119.800 0.013 0.000 2.248 2069 Q HA 0.450 4.791 4.340 0.000 0.000 0.263 2069 Q C -2.270 173.747 176.000 0.029 0.000 1.007 2069 Q CA -2.193 53.626 55.803 0.027 0.000 0.877 2069 Q CB 0.700 29.439 28.738 0.002 0.000 1.315 2069 Q HN 0.360 nan 8.270 nan 0.000 0.454 2070 P HA -0.053 nan 4.420 nan 0.000 0.268 2070 P C -1.219 176.068 177.300 -0.023 0.000 1.208 2070 P CA 0.227 63.384 63.100 0.096 0.000 0.777 2070 P CB 0.463 32.247 31.700 0.140 0.000 0.875 2071 A N 2.227 124.990 122.820 -0.094 0.000 2.332 2071 A HA 0.240 4.561 4.320 0.000 0.000 0.258 2071 A C 0.235 177.580 177.584 -0.399 0.000 1.087 2071 A CA -0.321 51.590 52.037 -0.211 0.000 0.802 2071 A CB 0.030 18.971 19.000 -0.099 0.000 1.042 2071 A HN 0.435 nan 8.150 nan 0.000 0.489 2072 E N 1.017 121.109 120.200 -0.180 0.000 2.313 2072 E HA 0.338 4.688 4.350 0.000 0.000 0.276 2072 E C -2.356 174.171 176.600 -0.122 0.000 1.031 2072 E CA -1.681 54.642 56.400 -0.128 0.000 0.857 2072 E CB 0.236 29.927 29.700 -0.014 0.000 1.040 2072 E HN 0.335 nan 8.360 nan 0.000 0.408 2073 P HA 0.068 nan 4.420 nan 0.000 0.271 2073 P C -0.807 176.455 177.300 -0.064 0.000 1.218 2073 P CA -0.156 62.787 63.100 -0.262 0.000 0.780 2073 P CB 0.249 31.846 31.700 -0.172 0.000 0.901 2074 W N 0.739 122.072 121.300 0.054 0.000 2.512 2074 W HA 0.570 5.230 4.660 0.000 0.000 0.335 2074 W C 0.701 177.215 176.519 -0.009 0.000 1.088 2074 W CA -0.564 56.809 57.345 0.047 0.000 1.236 2074 W CB -0.270 29.245 29.460 0.091 0.000 1.307 2074 W HN 0.155 nan 8.180 nan 0.000 0.567 2075 S N 0.710 116.497 115.700 0.145 0.000 2.414 2075 S HA 0.039 4.509 4.470 0.000 0.000 0.227 2075 S C 0.318 174.607 174.600 -0.518 0.000 1.022 2075 S CA 0.769 58.818 58.200 -0.252 0.000 0.958 2075 S CB -0.315 62.655 63.200 -0.384 0.000 0.797 2075 S HN 0.441 nan 8.310 nan 0.000 0.493 2076 F N -0.453 119.644 119.950 0.246 0.000 3.208 2076 F HA 0.483 5.010 4.527 0.000 0.000 0.286 2076 F C -0.027 175.949 175.800 0.294 0.000 1.532 2076 F CA -1.118 57.005 58.000 0.204 0.000 1.004 2076 F CB -0.160 38.916 39.000 0.127 0.000 1.777 2076 F HN -0.365 nan 8.300 nan 0.000 0.384 2077 V N 1.468 121.645 119.914 0.438 0.000 2.406 2077 V HA 0.240 4.360 4.120 0.000 0.000 0.272 2077 V C -0.250 175.932 176.094 0.147 0.000 1.043 2077 V CA -0.859 61.612 62.300 0.285 0.000 0.915 2077 V CB 0.891 32.831 31.823 0.195 0.000 0.988 2077 V HN 0.414 nan 8.190 nan 0.000 0.466 2078 K N 4.278 124.685 120.400 0.012 0.000 2.227 2078 K HA 0.303 4.623 4.320 0.000 0.000 0.280 2078 K C -0.218 176.318 176.600 -0.106 0.000 1.041 2078 K CA -0.573 55.571 56.287 -0.239 0.000 0.905 2078 K CB 0.482 32.464 32.500 -0.864 0.000 1.068 2078 K HN 0.596 nan 8.250 nan 0.000 0.470 2079 N N 2.886 121.528 118.700 -0.096 0.000 2.415 2079 N HA 0.116 4.857 4.740 0.000 0.000 0.250 2079 N C -0.797 174.664 175.510 -0.082 0.000 1.127 2079 N CA -0.067 52.943 53.050 -0.067 0.000 0.945 2079 N CB 1.472 39.916 38.487 -0.072 0.000 1.196 2079 N HN 0.572 nan 8.380 nan 0.000 0.499 2080 A N 1.736 124.541 122.820 -0.026 0.000 3.168 2080 A HA 0.222 4.543 4.320 0.000 0.000 0.260 2080 A C 0.761 178.282 177.584 -0.104 0.000 1.598 2080 A CA -0.445 51.580 52.037 -0.020 0.000 1.285 2080 A CB -0.737 18.355 19.000 0.154 0.000 1.149 2080 A HN 0.523 nan 8.150 nan 0.000 0.630 2081 T N -3.034 111.430 114.554 -0.151 0.000 3.200 2081 T HA 0.370 4.720 4.350 0.000 0.000 0.284 2081 T C 0.121 174.679 174.700 -0.236 0.000 1.009 2081 T CA -0.117 61.859 62.100 -0.206 0.000 0.907 2081 T CB 0.025 68.790 68.868 -0.172 0.000 1.120 2081 T HN 0.203 nan 8.240 nan 0.000 0.534 2082 S N 1.058 116.621 115.700 -0.230 0.000 2.614 2082 S HA 0.508 4.978 4.470 0.000 0.000 0.288 2082 S C -1.208 173.277 174.600 -0.192 0.000 1.137 2082 S CA -0.787 57.286 58.200 -0.212 0.000 0.992 2082 S CB 0.728 63.844 63.200 -0.140 0.000 1.026 2082 S HN 0.316 nan 8.310 nan 0.000 0.486 2083 Y N 4.305 124.542 120.300 -0.105 0.000 2.865 2083 Y HA 0.072 4.622 4.550 0.000 0.000 0.338 2083 Y C -1.434 174.360 175.900 -0.176 0.000 1.269 2083 Y CA -0.943 57.092 58.100 -0.108 0.000 1.585 2083 Y CB -0.285 38.131 38.460 -0.073 0.000 1.224 2083 Y HN 0.388 nan 8.280 nan 0.000 0.554 2084 P HA 0.145 nan 4.420 nan 0.000 0.274 2084 P C -2.609 174.584 177.300 -0.178 0.000 1.237 2084 P CA -1.462 61.445 63.100 -0.322 0.000 0.793 2084 P CB 0.713 32.131 31.700 -0.470 0.000 0.977 2085 P HA 0.143 nan 4.420 nan 0.000 0.271 2085 P C -0.123 177.128 177.300 -0.081 0.000 1.244 2085 P CA 0.178 63.203 63.100 -0.124 0.000 0.793 2085 P CB 0.186 31.814 31.700 -0.121 0.000 0.984 2086 M N -0.681 118.863 119.600 -0.093 0.000 2.472 2086 M HA 0.495 4.975 4.480 0.000 0.000 0.331 2086 M C -0.869 175.356 176.300 -0.126 0.000 1.170 2086 M CA -0.766 54.479 55.300 -0.092 0.000 1.009 2086 M CB 0.889 33.419 32.600 -0.117 0.000 1.672 2086 M HN 0.095 nan 8.290 nan 0.000 0.453 2087 c N 2.089 120.613 118.600 -0.126 0.000 2.563 2087 c HA 0.088 4.658 4.570 0.000 0.000 0.411 2087 c C 0.949 174.865 174.090 -0.290 0.000 1.386 2087 c CA -0.055 56.150 56.329 -0.207 0.000 1.703 2087 c CB -0.711 41.705 42.510 -0.157 0.000 2.596 2087 c HN 0.879 nan 8.230 nan 0.000 0.605 2088 T N 4.812 119.050 114.554 -0.528 0.000 2.867 2088 T HA 0.183 4.533 4.350 0.000 0.000 0.290 2088 T C 0.121 174.605 174.700 -0.360 0.000 1.025 2088 T CA 0.695 62.417 62.100 -0.629 0.000 1.146 2088 T CB -0.203 67.832 68.868 -1.389 0.000 1.024 2088 T HN 0.898 nan 8.240 nan 0.000 0.519 2089 Q N 1.064 120.786 119.800 -0.129 0.000 2.782 2089 Q HA 0.383 4.723 4.340 0.000 0.000 0.308 2089 Q C -1.586 174.448 176.000 0.058 0.000 0.883 2089 Q CA -1.172 54.656 55.803 0.043 0.000 0.755 2089 Q CB 0.833 29.585 28.738 0.023 0.000 1.454 2089 Q HN 0.377 nan 8.270 nan 0.000 0.452 2090 D N 2.317 122.771 120.400 0.091 0.000 2.348 2090 D HA 0.110 4.750 4.640 0.000 0.000 0.259 2090 D C -1.267 175.047 176.300 0.022 0.000 1.296 2090 D CA -1.890 52.151 54.000 0.068 0.000 0.931 2090 D CB 0.955 41.804 40.800 0.082 0.000 1.067 2090 D HN 0.271 nan 8.370 nan 0.000 0.503 2091 P HA -0.278 nan 4.420 nan 0.000 0.218 2091 P C 1.202 178.489 177.300 -0.021 0.000 1.154 2091 P CA 1.383 64.472 63.100 -0.019 0.000 0.872 2091 P CB 0.416 32.105 31.700 -0.018 0.000 0.790 2092 K N -0.265 120.129 120.400 -0.009 0.000 1.965 2092 K HA -0.091 4.229 4.320 0.000 0.000 0.214 2092 K C 2.439 179.027 176.600 -0.021 0.000 1.046 2092 K CA 1.610 57.889 56.287 -0.013 0.000 0.944 2092 K CB -0.749 31.748 32.500 -0.004 0.000 0.726 2092 K HN -0.010 nan 8.250 nan 0.000 0.441 2093 A N 0.928 123.741 122.820 -0.011 0.000 1.917 2093 A HA -0.163 4.157 4.320 0.000 0.000 0.219 2093 A C 2.315 179.875 177.584 -0.040 0.000 1.182 2093 A CA 2.272 54.297 52.037 -0.020 0.000 0.633 2093 A CB -1.330 17.674 19.000 0.008 0.000 0.819 2093 A HN 0.554 nan 8.150 nan 0.000 0.448 2094 G N -1.091 107.689 108.800 -0.033 0.000 2.480 2094 G HA2 -0.301 3.659 3.960 0.000 0.000 0.216 2094 G HA3 -0.301 3.659 3.960 0.000 0.000 0.216 2094 G C 1.649 176.500 174.900 -0.082 0.000 1.200 2094 G CA 1.159 46.225 45.100 -0.056 0.000 0.782 2094 G HN 0.630 nan 8.290 nan 0.000 0.554 2095 Q N -0.546 119.211 119.800 -0.071 0.000 2.124 2095 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 2095 Q C 2.449 178.402 176.000 -0.078 0.000 0.977 2095 Q CA 1.208 56.964 55.803 -0.078 0.000 0.850 2095 Q CB -0.251 28.450 28.738 -0.061 0.000 0.901 2095 Q HN 0.373 nan 8.270 nan 0.000 0.429 2096 L N 0.596 121.779 121.223 -0.067 0.000 1.990 2096 L HA -0.206 4.134 4.340 0.000 0.000 0.213 2096 L C 2.100 178.905 176.870 -0.108 0.000 1.072 2096 L CA 1.796 56.597 54.840 -0.065 0.000 0.755 2096 L CB -0.966 41.058 42.059 -0.057 0.000 0.889 2096 L HN 0.417 nan 8.230 nan 0.000 0.432 2097 L N -0.955 120.172 121.223 -0.159 0.000 2.046 2097 L HA -0.160 4.180 4.340 0.000 0.000 0.208 2097 L C 2.733 179.448 176.870 -0.259 0.000 1.077 2097 L CA 2.032 56.698 54.840 -0.290 0.000 0.747 2097 L CB -0.862 41.029 42.059 -0.281 0.000 0.896 2097 L HN 0.495 nan 8.230 nan 0.000 0.432 2098 S N -0.834 114.764 115.700 -0.170 0.000 2.400 2098 S HA -0.220 4.250 4.470 0.000 0.000 0.232 2098 S C 1.825 176.343 174.600 -0.136 0.000 1.025 2098 S CA 1.685 59.786 58.200 -0.164 0.000 0.993 2098 S CB -0.297 62.809 63.200 -0.157 0.000 0.808 2098 S HN 0.666 nan 8.310 nan 0.000 0.478 2099 E N 0.207 120.353 120.200 -0.091 0.000 2.158 2099 E HA 0.048 4.398 4.350 0.000 0.000 0.191 2099 E C 1.958 178.579 176.600 0.034 0.000 0.982 2099 E CA 0.779 57.157 56.400 -0.036 0.000 0.823 2099 E CB -0.127 29.562 29.700 -0.018 0.000 0.766 2099 E HN 0.475 nan 8.360 nan 0.000 0.468 2100 L N -0.196 121.045 121.223 0.030 0.000 2.313 2100 L HA -0.025 4.315 4.340 0.000 0.000 0.214 2100 L C 1.570 178.673 176.870 0.388 0.000 1.119 2100 L CA 0.386 55.327 54.840 0.168 0.000 0.809 2100 L CB 0.123 42.224 42.059 0.070 0.000 0.933 2100 L HN 0.119 nan 8.230 nan 0.000 0.449 2101 F N -1.126 118.776 119.950 -0.079 0.000 2.653 2101 F HA 0.142 4.669 4.527 0.000 0.000 0.288 2101 F C 1.686 177.147 175.800 -0.565 0.000 1.121 2101 F CA -0.394 57.420 58.000 -0.310 0.000 1.384 2101 F CB -0.629 38.185 39.000 -0.310 0.000 1.115 2101 F HN -0.194 nan 8.300 nan 0.000 0.599 2102 T N 2.407 116.807 114.554 -0.256 0.000 2.939 2102 T HA -0.095 4.255 4.350 0.000 0.000 0.312 2102 T C 1.213 175.736 174.700 -0.294 0.000 1.064 2102 T CA 0.411 62.287 62.100 -0.373 0.000 1.136 2102 T CB 0.238 68.967 68.868 -0.232 0.000 1.035 2102 T HN 0.410 nan 8.240 nan 0.000 0.538 2103 N N 3.831 122.308 118.700 -0.371 0.000 2.205 2103 N HA 0.031 4.771 4.740 0.000 0.000 0.201 2103 N C 0.465 175.860 175.510 -0.191 0.000 1.128 2103 N CA -0.418 52.467 53.050 -0.275 0.000 0.867 2103 N CB 0.082 38.377 38.487 -0.321 0.000 0.996 2103 N HN 0.753 nan 8.380 nan 0.000 0.503 2104 R N 1.026 121.427 120.500 -0.165 0.000 2.546 2104 R HA 0.311 4.652 4.340 0.000 0.000 0.266 2104 R C 1.119 177.382 176.300 -0.060 0.000 1.086 2104 R CA -0.681 55.362 56.100 -0.095 0.000 1.160 2104 R CB 1.038 31.292 30.300 -0.076 0.000 1.138 2104 R HN -0.088 nan 8.270 nan 0.000 0.567 2105 K N 0.586 120.972 120.400 -0.023 0.000 1.971 2105 K HA -0.238 4.082 4.320 0.000 0.000 0.221 2105 K C 0.043 176.641 176.600 -0.002 0.000 1.050 2105 K CA 1.737 58.025 56.287 0.001 0.000 0.967 2105 K CB -0.542 31.970 32.500 0.020 0.000 0.733 2105 K HN 0.787 nan 8.250 nan 0.000 0.445 2106 E N 1.290 121.487 120.200 -0.005 0.000 2.231 2106 E HA 0.117 4.468 4.350 0.000 0.000 0.277 2106 E C -0.874 175.700 176.600 -0.043 0.000 0.999 2106 E CA -0.981 55.411 56.400 -0.013 0.000 0.827 2106 E CB 0.955 30.654 29.700 -0.002 0.000 1.101 2106 E HN 0.250 nan 8.360 nan 0.000 0.393 2107 N N 3.726 122.395 118.700 -0.052 0.000 2.458 2107 N HA 0.061 4.801 4.740 0.000 0.000 0.270 2107 N C -0.552 174.895 175.510 -0.105 0.000 1.102 2107 N CA -0.527 52.470 53.050 -0.090 0.000 0.967 2107 N CB 0.529 38.971 38.487 -0.075 0.000 1.078 2107 N HN 0.482 nan 8.380 nan 0.000 0.471 2108 I N 5.813 126.279 120.570 -0.173 0.000 2.379 2108 I HA 0.177 4.347 4.170 0.000 0.000 0.290 2108 I C -1.789 174.220 176.117 -0.180 0.000 1.063 2108 I CA -2.252 58.925 61.300 -0.205 0.000 1.351 2108 I CB 0.365 38.094 38.000 -0.451 0.000 1.410 2108 I HN 0.343 nan 8.210 nan 0.000 0.505 2109 P HA 0.229 nan 4.420 nan 0.000 0.270 2109 P C -0.599 176.641 177.300 -0.100 0.000 1.242 2109 P CA -0.065 62.981 63.100 -0.091 0.000 0.768 2109 P CB 0.816 32.482 31.700 -0.058 0.000 0.820 2110 L N 2.942 124.098 121.223 -0.112 0.000 2.387 2110 L HA 0.500 4.840 4.340 0.000 0.000 0.266 2110 L C 0.898 177.716 176.870 -0.086 0.000 1.059 2110 L CA -1.022 53.754 54.840 -0.108 0.000 0.801 2110 L CB 0.746 42.727 42.059 -0.130 0.000 1.223 2110 L HN 0.190 nan 8.230 nan 0.000 0.456 2111 K N 0.859 121.208 120.400 -0.084 0.000 2.123 2111 K HA 0.637 4.957 4.320 0.000 0.000 0.248 2111 K C -1.145 175.396 176.600 -0.097 0.000 0.969 2111 K CA -0.313 55.925 56.287 -0.081 0.000 0.882 2111 K CB 1.266 33.719 32.500 -0.077 0.000 1.080 2111 K HN 0.361 nan 8.250 nan 0.000 0.441 2112 L N 1.495 122.658 121.223 -0.099 0.000 2.307 2112 L HA 0.582 4.922 4.340 0.000 0.000 0.284 2112 L C -0.399 176.384 176.870 -0.145 0.000 1.023 2112 L CA -0.552 54.210 54.840 -0.130 0.000 0.810 2112 L CB 1.761 43.745 42.059 -0.126 0.000 1.231 2112 L HN 0.594 nan 8.230 nan 0.000 0.423 2113 S N 1.027 116.615 115.700 -0.187 0.000 2.558 2113 S HA 0.196 4.666 4.470 0.000 0.000 0.277 2113 S C 0.193 174.640 174.600 -0.255 0.000 1.143 2113 S CA -0.623 57.466 58.200 -0.184 0.000 0.865 2113 S CB 1.506 64.638 63.200 -0.113 0.000 1.102 2113 S HN 0.758 nan 8.310 nan 0.000 0.454 2114 E N 1.088 121.121 120.200 -0.279 0.000 2.268 2114 E HA -0.082 4.269 4.350 0.000 0.000 0.195 2114 E C -0.213 176.273 176.600 -0.190 0.000 0.995 2114 E CA 0.633 56.832 56.400 -0.335 0.000 0.836 2114 E CB 0.017 29.568 29.700 -0.248 0.000 0.763 2114 E HN 0.557 nan 8.360 nan 0.000 0.491 2115 D N 0.448 120.784 120.400 -0.107 0.000 2.470 2115 D HA -0.007 4.633 4.640 0.000 0.000 0.226 2115 D C 0.144 176.518 176.300 0.124 0.000 1.196 2115 D CA -0.248 53.743 54.000 -0.014 0.000 0.979 2115 D CB -0.058 40.758 40.800 0.026 0.000 1.059 2115 D HN 0.181 nan 8.370 nan 0.000 0.515 2116 c N 1.970 120.605 118.600 0.059 0.000 3.911 2116 c HA 0.352 4.922 4.570 0.000 0.000 0.318 2116 c C 0.977 175.149 174.090 0.137 0.000 1.643 2116 c CA -0.641 55.794 56.329 0.177 0.000 1.845 2116 c CB -1.250 41.264 42.510 0.008 0.000 2.981 2116 c HN 0.424 nan 8.230 nan 0.000 0.656 2117 L N 2.561 123.627 121.223 -0.262 0.000 2.388 2117 L HA 0.260 4.600 4.340 0.000 0.000 0.252 2117 L C -0.677 175.655 176.870 -0.897 0.000 1.357 2117 L CA 0.761 55.241 54.840 -0.599 0.000 1.214 2117 L CB -0.982 40.531 42.059 -0.910 0.000 1.392 2117 L HN 0.418 nan 8.230 nan 0.000 0.432 2118 Y N 1.563 121.846 120.300 -0.028 0.000 2.662 2118 Y HA 0.723 5.273 4.550 0.000 0.000 0.335 2118 Y C -0.096 175.967 175.900 0.272 0.000 1.066 2118 Y CA -1.321 56.827 58.100 0.081 0.000 1.116 2118 Y CB 1.775 40.232 38.460 -0.006 0.000 1.308 2118 Y HN 0.132 nan 8.280 nan 0.000 0.502 2119 L N -0.378 121.012 121.223 0.277 0.000 2.424 2119 L HA 0.743 5.083 4.340 0.000 0.000 0.258 2119 L C -1.595 175.302 176.870 0.045 0.000 0.995 2119 L CA -1.100 53.810 54.840 0.118 0.000 0.821 2119 L CB 1.859 43.870 42.059 -0.079 0.000 1.383 2119 L HN 0.393 nan 8.230 nan 0.000 0.410 2120 N N 1.950 120.700 118.700 0.084 0.000 2.361 2120 N HA 0.734 5.474 4.740 0.000 0.000 0.302 2120 N C -1.127 174.370 175.510 -0.023 0.000 1.074 2120 N CA -0.218 52.846 53.050 0.024 0.000 0.850 2120 N CB 2.435 40.997 38.487 0.125 0.000 1.228 2120 N HN 0.699 nan 8.380 nan 0.000 0.491 2121 I N 1.633 122.108 120.570 -0.158 0.000 2.569 2121 I HA 0.341 4.511 4.170 0.000 0.000 0.296 2121 I C -1.062 174.934 176.117 -0.202 0.000 1.028 2121 I CA -0.795 60.452 61.300 -0.088 0.000 1.082 2121 I CB 1.339 39.209 38.000 -0.216 0.000 1.264 2121 I HN 0.346 nan 8.210 nan 0.000 0.429 2122 Y N 3.018 123.444 120.300 0.211 0.000 2.426 2122 Y HA 0.334 4.884 4.550 0.000 0.000 0.325 2122 Y C 0.221 176.249 175.900 0.214 0.000 0.989 2122 Y CA -0.664 57.560 58.100 0.208 0.000 1.284 2122 Y CB 1.962 40.524 38.460 0.169 0.000 1.104 2122 Y HN 0.366 nan 8.280 nan 0.000 0.481 2123 T N 5.060 119.828 114.554 0.357 0.000 2.770 2123 T HA 0.336 4.686 4.350 0.000 0.000 0.283 2123 T C -2.069 172.791 174.700 0.268 0.000 0.988 2123 T CA -2.325 59.965 62.100 0.315 0.000 0.957 2123 T CB 1.252 70.345 68.868 0.374 0.000 0.930 2123 T HN 0.348 nan 8.240 nan 0.000 0.443 2124 P HA 0.263 nan 4.420 nan 0.000 0.251 2124 P C 0.287 177.678 177.300 0.152 0.000 1.223 2124 P CA -0.134 63.057 63.100 0.151 0.000 0.796 2124 P CB 0.121 31.874 31.700 0.089 0.000 1.068 2125 A N 1.112 124.034 122.820 0.170 0.000 2.445 2125 A HA 0.114 4.435 4.320 0.000 0.000 0.242 2125 A C 0.055 177.736 177.584 0.161 0.000 1.075 2125 A CA -0.033 52.092 52.037 0.147 0.000 0.777 2125 A CB -0.442 18.644 19.000 0.143 0.000 1.013 2125 A HN -0.033 nan 8.150 nan 0.000 0.493 2126 D N 2.340 122.812 120.400 0.120 0.000 2.416 2126 D HA 0.217 4.858 4.640 0.000 0.000 0.240 2126 D C 1.025 177.397 176.300 0.121 0.000 1.250 2126 D CA -0.014 54.055 54.000 0.115 0.000 0.967 2126 D CB -0.240 40.600 40.800 0.067 0.000 1.059 2126 D HN 0.437 nan 8.370 nan 0.000 0.512 2127 L N 2.524 123.848 121.223 0.170 0.000 2.270 2127 L HA -0.229 4.111 4.340 0.000 0.000 0.217 2127 L C 2.481 179.408 176.870 0.095 0.000 1.107 2127 L CA 1.612 56.536 54.840 0.139 0.000 0.772 2127 L CB -0.857 41.313 42.059 0.185 0.000 0.902 2127 L HN 0.540 nan 8.230 nan 0.000 0.439 2128 T N -2.921 111.692 114.554 0.098 0.000 2.962 2128 T HA -0.088 4.262 4.350 0.000 0.000 0.270 2128 T C 0.824 175.551 174.700 0.045 0.000 1.088 2128 T CA 0.652 62.792 62.100 0.067 0.000 1.127 2128 T CB -0.025 68.879 68.868 0.059 0.000 0.883 2128 T HN 0.285 nan 8.240 nan 0.000 0.493 2129 K N 0.666 121.093 120.400 0.046 0.000 2.350 2129 K HA 0.429 4.749 4.320 0.000 0.000 0.241 2129 K C -0.809 175.810 176.600 0.032 0.000 0.994 2129 K CA -1.061 55.245 56.287 0.033 0.000 0.839 2129 K CB 1.948 34.466 32.500 0.030 0.000 1.244 2129 K HN -0.010 nan 8.250 nan 0.000 0.443 2130 K N 2.481 122.893 120.400 0.021 0.000 2.402 2130 K HA 0.033 4.353 4.320 0.000 0.000 0.285 2130 K C -0.897 175.718 176.600 0.025 0.000 1.054 2130 K CA 0.276 56.574 56.287 0.017 0.000 1.001 2130 K CB 0.155 32.659 32.500 0.007 0.000 0.946 2130 K HN 0.467 nan 8.250 nan 0.000 0.473 2131 N N 3.763 122.484 118.700 0.035 0.000 2.238 2131 N HA 0.349 5.089 4.740 0.000 0.000 0.302 2131 N C -1.016 174.520 175.510 0.043 0.000 1.072 2131 N CA -0.737 52.339 53.050 0.044 0.000 0.792 2131 N CB 1.730 40.256 38.487 0.065 0.000 1.425 2131 N HN 0.447 nan 8.380 nan 0.000 0.478 2132 R N 2.014 122.535 120.500 0.036 0.000 2.653 2132 R HA 0.365 4.705 4.340 0.000 0.000 0.269 2132 R C -0.396 175.922 176.300 0.029 0.000 1.603 2132 R CA -0.309 55.809 56.100 0.030 0.000 1.671 2132 R CB 0.267 30.573 30.300 0.009 0.000 1.300 2132 R HN 0.512 nan 8.270 nan 0.000 0.668 2133 L N 2.199 123.452 121.223 0.050 0.000 2.466 2133 L HA 0.429 4.769 4.340 0.000 0.000 0.257 2133 L C -1.619 175.276 176.870 0.042 0.000 1.189 2133 L CA -1.882 52.986 54.840 0.048 0.000 0.813 2133 L CB 0.250 42.351 42.059 0.071 0.000 1.118 2133 L HN -0.004 nan 8.230 nan 0.000 0.471 2134 P HA 0.064 nan 4.420 nan 0.000 0.269 2134 P C -0.874 176.460 177.300 0.058 0.000 1.209 2134 P CA -0.110 63.001 63.100 0.018 0.000 0.776 2134 P CB 1.035 32.732 31.700 -0.005 0.000 0.876 2135 V N 4.259 124.218 119.914 0.075 0.000 2.483 2135 V HA 0.417 4.537 4.120 0.000 0.000 0.295 2135 V C 0.588 176.765 176.094 0.140 0.000 1.035 2135 V CA -0.419 61.957 62.300 0.125 0.000 0.896 2135 V CB 1.258 33.170 31.823 0.147 0.000 0.986 2135 V HN 0.489 nan 8.190 nan 0.000 0.447 2136 M N 4.432 124.146 119.600 0.189 0.000 2.053 2136 M HA 0.445 4.925 4.480 0.000 0.000 0.297 2136 M C -1.174 175.433 176.300 0.512 0.000 0.921 2136 M CA -0.532 54.916 55.300 0.246 0.000 0.918 2136 M CB 1.926 34.555 32.600 0.048 0.000 1.499 2136 M HN 0.369 nan 8.290 nan 0.000 0.422 2137 V N 3.293 123.501 119.914 0.490 0.000 2.406 2137 V HA 0.267 4.387 4.120 0.000 0.000 0.272 2137 V C -0.521 175.837 176.094 0.440 0.000 1.043 2137 V CA -0.450 62.092 62.300 0.402 0.000 0.915 2137 V CB 0.919 32.865 31.823 0.204 0.000 0.988 2137 V HN 0.840 nan 8.190 nan 0.000 0.466 2138 W N 6.956 128.292 121.300 0.061 0.000 2.391 2138 W HA 0.606 5.267 4.660 0.000 0.000 0.311 2138 W C -1.260 175.120 176.519 -0.232 0.000 1.087 2138 W CA -0.965 56.160 57.345 -0.367 0.000 1.209 2138 W CB 1.316 30.546 29.460 -0.383 0.000 1.273 2138 W HN 0.432 nan 8.180 nan 0.000 0.482 2139 I N 7.279 127.174 120.570 -1.124 0.000 2.359 2139 I HA 0.029 4.199 4.170 0.000 0.000 0.284 2139 I C 0.441 175.787 176.117 -1.285 0.000 1.018 2139 I CA -0.818 59.957 61.300 -0.875 0.000 1.173 2139 I CB 0.823 38.452 38.000 -0.617 0.000 1.326 2139 I HN 0.462 nan 8.210 nan 0.000 0.462 2140 H N 4.599 123.238 119.070 -0.718 0.000 2.757 2140 H HA 0.551 5.107 4.556 0.000 0.000 0.370 2140 H C 0.338 175.622 175.328 -0.074 0.000 1.172 2140 H CA -0.397 55.408 56.048 -0.404 0.000 1.426 2140 H CB 0.525 30.315 29.762 0.048 0.000 1.438 2140 H HN 0.547 nan 8.280 nan 0.000 0.612 2141 G N -1.442 107.559 108.800 0.335 0.000 2.642 2141 G HA2 0.503 4.464 3.960 0.000 0.000 0.291 2141 G HA3 0.503 4.464 3.960 0.000 0.000 0.291 2141 G C 0.235 175.435 174.900 0.501 0.000 1.345 2141 G CA -1.070 44.238 45.100 0.346 0.000 1.043 2141 G HN 1.469 nan 8.290 nan 0.000 0.528 2142 G N -2.616 106.397 108.800 0.355 0.000 2.321 2142 G HA2 0.418 4.378 3.960 0.000 0.000 0.219 2142 G HA3 0.418 4.378 3.960 0.000 0.000 0.219 2142 G C 0.965 175.976 174.900 0.186 0.000 1.057 2142 G CA 0.697 45.953 45.100 0.260 0.000 0.849 2142 G HN 2.278 nan 8.290 nan 0.000 0.520 2143 G N 0.199 109.099 108.800 0.166 0.000 2.296 2143 G HA2 -0.182 3.778 3.960 0.000 0.000 0.282 2143 G HA3 -0.182 3.778 3.960 0.000 0.000 0.282 2143 G C 1.206 176.112 174.900 0.010 0.000 1.014 2143 G CA 0.738 45.883 45.100 0.076 0.000 0.812 2143 G HN 1.787 nan 8.290 nan 0.000 0.508 2144 L N -3.619 117.646 121.223 0.070 0.000 4.555 2144 L HA -0.292 4.048 4.340 0.000 0.000 0.431 2144 L C 2.025 178.978 176.870 0.138 0.000 1.136 2144 L CA 1.597 56.474 54.840 0.062 0.000 0.972 2144 L CB -1.339 40.451 42.059 -0.447 0.000 1.999 2144 L HN 0.461 nan 8.230 nan 0.000 0.900 2145 M N -1.232 118.448 119.600 0.133 0.000 2.470 2145 M HA 0.321 4.802 4.480 0.000 0.000 0.262 2145 M C 0.647 177.048 176.300 0.167 0.000 1.211 2145 M CA 1.015 56.411 55.300 0.160 0.000 1.125 2145 M CB 0.881 33.553 32.600 0.121 0.000 1.480 2145 M HN 0.224 nan 8.290 nan 0.000 0.541 2146 V N -2.630 117.367 119.914 0.138 0.000 3.159 2146 V HA 1.046 5.167 4.120 0.000 0.000 0.308 2146 V C -0.466 175.674 176.094 0.077 0.000 1.190 2146 V CA -0.268 62.081 62.300 0.082 0.000 1.037 2146 V CB 1.469 33.321 31.823 0.048 0.000 1.060 2146 V HN 0.459 nan 8.190 nan 0.000 0.437 2147 G N -0.229 108.533 108.800 -0.065 0.000 2.334 2147 G HA2 0.669 4.629 3.960 0.000 0.000 0.566 2147 G HA3 0.669 4.629 3.960 0.000 0.000 0.566 2147 G C -0.781 173.728 174.900 -0.653 0.000 1.413 2147 G CA -0.035 44.865 45.100 -0.333 0.000 0.993 2147 G HN 2.611 nan 8.290 nan 0.000 0.642 2148 A N -0.951 121.332 122.820 -0.895 0.000 2.612 2148 A HA 1.033 5.353 4.320 0.000 0.000 0.293 2148 A C 0.699 178.202 177.584 -0.135 0.000 1.075 2148 A CA 0.547 52.325 52.037 -0.432 0.000 0.680 2148 A CB 0.957 19.837 19.000 -0.200 0.000 1.279 2148 A HN 2.515 nan 8.150 nan 0.000 0.411 2149 A N 0.271 123.170 122.820 0.132 0.000 1.935 2149 A HA 0.172 4.492 4.320 0.000 0.000 0.214 2149 A C 1.945 179.693 177.584 0.274 0.000 1.178 2149 A CA 2.082 54.310 52.037 0.319 0.000 0.640 2149 A CB -0.754 18.439 19.000 0.322 0.000 0.825 2149 A HN 1.190 nan 8.150 nan 0.000 0.447 2150 S N 0.104 115.884 115.700 0.132 0.000 2.465 2150 S HA -0.135 4.335 4.470 0.000 0.000 0.241 2150 S C 1.818 176.343 174.600 -0.124 0.000 1.000 2150 S CA 1.607 59.819 58.200 0.019 0.000 0.964 2150 S CB -0.548 62.533 63.200 -0.198 0.000 0.763 2150 S HN 0.673 nan 8.310 nan 0.000 0.512 2151 T N 0.849 115.338 114.554 -0.108 0.000 2.788 2151 T HA -0.070 4.280 4.350 0.000 0.000 0.268 2151 T C -0.028 174.360 174.700 -0.521 0.000 1.044 2151 T CA 1.065 62.968 62.100 -0.328 0.000 1.139 2151 T CB -0.268 68.354 68.868 -0.410 0.000 0.867 2151 T HN 0.414 nan 8.240 nan 0.000 0.454 2152 Y N 1.858 121.968 120.300 -0.318 0.000 2.404 2152 Y HA 0.447 4.997 4.550 0.000 0.000 0.344 2152 Y C 0.104 175.716 175.900 -0.479 0.000 0.970 2152 Y CA -2.274 55.423 58.100 -0.672 0.000 1.180 2152 Y CB 0.281 38.021 38.460 -1.201 0.000 1.138 2152 Y HN -0.073 nan 8.280 nan 0.000 0.510 2153 D N 2.009 122.201 120.400 -0.347 0.000 2.277 2153 D HA 0.227 4.867 4.640 0.000 0.000 0.249 2153 D C 0.925 176.965 176.300 -0.435 0.000 1.134 2153 D CA -0.119 53.703 54.000 -0.297 0.000 0.863 2153 D CB 1.731 42.439 40.800 -0.153 0.000 1.143 2153 D HN 0.818 nan 8.370 nan 0.000 0.458 2154 G N 2.983 111.124 108.800 -1.098 0.000 3.088 2154 G HA2 -0.087 3.873 3.960 0.000 0.000 0.217 2154 G HA3 -0.087 3.873 3.960 0.000 0.000 0.217 2154 G C 1.337 175.964 174.900 -0.455 0.000 1.159 2154 G CA -0.092 44.570 45.100 -0.729 0.000 0.760 2154 G HN 0.482 nan 8.290 nan 0.000 0.550 2155 L N 1.791 122.780 121.223 -0.390 0.000 2.021 2155 L HA -0.104 4.236 4.340 0.000 0.000 0.215 2155 L C 2.850 179.674 176.870 -0.076 0.000 1.074 2155 L CA 2.609 57.417 54.840 -0.053 0.000 0.760 2155 L CB -0.697 41.380 42.059 0.030 0.000 0.889 2155 L HN 0.211 nan 8.230 nan 0.000 0.433 2156 A N -0.857 121.924 122.820 -0.066 0.000 1.841 2156 A HA -0.183 4.137 4.320 0.000 0.000 0.214 2156 A C 2.245 179.775 177.584 -0.090 0.000 1.195 2156 A CA 1.818 53.821 52.037 -0.057 0.000 0.611 2156 A CB -1.191 17.820 19.000 0.018 0.000 0.835 2156 A HN 0.500 nan 8.150 nan 0.000 0.443 2157 L N -0.006 121.170 121.223 -0.079 0.000 2.043 2157 L HA -0.143 4.197 4.340 0.000 0.000 0.212 2157 L C 2.645 179.490 176.870 -0.042 0.000 1.075 2157 L CA 2.391 57.181 54.840 -0.083 0.000 0.752 2157 L CB -0.929 41.055 42.059 -0.125 0.000 0.891 2157 L HN 0.379 nan 8.230 nan 0.000 0.432 2158 A N -0.662 122.147 122.820 -0.018 0.000 1.883 2158 A HA -0.110 4.210 4.320 0.000 0.000 0.217 2158 A C 2.423 179.983 177.584 -0.041 0.000 1.186 2158 A CA 2.154 54.208 52.037 0.030 0.000 0.624 2158 A CB -1.172 17.900 19.000 0.120 0.000 0.822 2158 A HN 0.605 nan 8.150 nan 0.000 0.444 2159 A N -1.682 121.025 122.820 -0.188 0.000 1.855 2159 A HA -0.105 4.215 4.320 0.000 0.000 0.213 2159 A C 2.079 179.408 177.584 -0.424 0.000 1.195 2159 A CA 1.319 53.090 52.037 -0.443 0.000 0.610 2159 A CB -0.963 17.466 19.000 -0.951 0.000 0.837 2159 A HN 0.633 nan 8.150 nan 0.000 0.444 2160 H N -0.487 118.311 119.070 -0.453 0.000 2.387 2160 H HA -0.067 4.489 4.556 0.000 0.000 0.299 2160 H C 0.876 176.199 175.328 -0.008 0.000 1.099 2160 H CA 1.678 57.646 56.048 -0.133 0.000 1.315 2160 H CB 0.302 29.893 29.762 -0.285 0.000 1.380 2160 H HN 0.420 nan 8.280 nan 0.000 0.513 2161 E N 0.006 120.245 120.200 0.065 0.000 2.583 2161 E HA 0.007 4.357 4.350 0.000 0.000 0.213 2161 E C -0.078 176.551 176.600 0.048 0.000 0.989 2161 E CA -0.308 56.126 56.400 0.057 0.000 0.991 2161 E CB 0.070 29.793 29.700 0.039 0.000 1.040 2161 E HN 0.309 nan 8.360 nan 0.000 0.481 2162 N N 1.119 119.845 118.700 0.044 0.000 2.642 2162 N HA -0.163 4.577 4.740 0.000 0.000 0.269 2162 N C -0.722 174.822 175.510 0.058 0.000 1.073 2162 N CA 0.921 54.004 53.050 0.054 0.000 0.748 2162 N CB -0.877 37.647 38.487 0.062 0.000 0.894 2162 N HN 0.040 nan 8.380 nan 0.000 0.548 2163 V N -2.266 117.687 119.914 0.065 0.000 3.087 2163 V HA 0.625 4.745 4.120 0.000 0.000 0.306 2163 V C 0.263 176.428 176.094 0.118 0.000 1.187 2163 V CA -1.047 61.299 62.300 0.077 0.000 0.999 2163 V CB 2.198 34.053 31.823 0.054 0.000 1.049 2163 V HN -0.099 nan 8.190 nan 0.000 0.431 2164 V N 3.228 123.227 119.914 0.141 0.000 2.427 2164 V HA 0.365 4.485 4.120 0.000 0.000 0.268 2164 V C 0.257 176.486 176.094 0.226 0.000 1.046 2164 V CA -0.210 62.206 62.300 0.193 0.000 0.970 2164 V CB 1.063 33.000 31.823 0.191 0.000 1.001 2164 V HN 0.722 nan 8.190 nan 0.000 0.476 2165 V N 6.247 126.336 119.914 0.292 0.000 2.407 2165 V HA 0.416 4.536 4.120 0.000 0.000 0.278 2165 V C -0.020 176.332 176.094 0.429 0.000 1.037 2165 V CA -0.440 62.078 62.300 0.365 0.000 0.900 2165 V CB 1.712 33.740 31.823 0.342 0.000 0.983 2165 V HN 0.603 nan 8.190 nan 0.000 0.459 2166 V N 4.252 124.405 119.914 0.399 0.000 2.407 2166 V HA 0.460 4.580 4.120 0.000 0.000 0.291 2166 V C 0.209 176.517 176.094 0.357 0.000 1.018 2166 V CA -0.502 61.991 62.300 0.322 0.000 0.842 2166 V CB 2.099 34.054 31.823 0.220 0.000 0.996 2166 V HN 0.997 nan 8.190 nan 0.000 0.426 2167 T N 3.889 118.659 114.554 0.360 0.000 2.756 2167 T HA 0.761 5.112 4.350 0.000 0.000 0.290 2167 T C -0.327 174.526 174.700 0.255 0.000 0.985 2167 T CA -0.462 61.860 62.100 0.369 0.000 0.955 2167 T CB 0.911 70.035 68.868 0.426 0.000 0.930 2167 T HN 0.614 nan 8.240 nan 0.000 0.451 2168 I N 0.454 121.138 120.570 0.189 0.000 2.947 2168 I HA 0.681 4.851 4.170 0.000 0.000 0.314 2168 I C -0.487 175.788 176.117 0.262 0.000 1.028 2168 I CA -1.273 60.107 61.300 0.134 0.000 1.077 2168 I CB 1.720 39.684 38.000 -0.061 0.000 1.274 2168 I HN 0.528 nan 8.210 nan 0.000 0.485 2169 Q N 1.448 121.447 119.800 0.332 0.000 2.458 2169 Q HA 0.581 4.921 4.340 0.000 0.000 0.282 2169 Q C -1.939 174.315 176.000 0.424 0.000 1.106 2169 Q CA -0.820 55.189 55.803 0.343 0.000 0.814 2169 Q CB 2.919 31.825 28.738 0.279 0.000 1.425 2169 Q HN 0.733 nan 8.270 nan 0.000 0.437 2170 Y N -2.783 117.647 120.300 0.216 0.000 2.558 2170 Y HA 0.505 5.055 4.550 0.000 0.000 0.333 2170 Y C -0.938 175.042 175.900 0.134 0.000 1.125 2170 Y CA -1.402 56.799 58.100 0.168 0.000 1.039 2170 Y CB 0.785 39.295 38.460 0.083 0.000 1.331 2170 Y HN 0.428 nan 8.280 nan 0.000 0.456 2171 R N 2.360 122.965 120.500 0.174 0.000 2.566 2171 R HA 0.263 4.603 4.340 0.000 0.000 0.273 2171 R C -0.864 175.541 176.300 0.175 0.000 0.981 2171 R CA 0.393 56.559 56.100 0.109 0.000 1.091 2171 R CB 0.159 30.530 30.300 0.118 0.000 0.924 2171 R HN 0.696 nan 8.270 nan 0.000 0.411 2172 L N 1.386 122.742 121.223 0.221 0.000 2.286 2172 L HA 0.478 4.819 4.340 0.000 0.000 0.265 2172 L C 1.342 178.535 176.870 0.539 0.000 1.012 2172 L CA -0.376 54.694 54.840 0.383 0.000 0.818 2172 L CB 1.571 43.762 42.059 0.219 0.000 1.337 2172 L HN 0.902 nan 8.230 nan 0.000 0.438 2173 G N 0.621 109.751 108.800 0.550 0.000 2.627 2173 G HA2 -0.344 3.616 3.960 0.000 0.000 0.312 2173 G HA3 -0.344 3.616 3.960 0.000 0.000 0.312 2173 G C 0.897 176.089 174.900 0.486 0.000 1.299 2173 G CA 0.690 46.071 45.100 0.468 0.000 0.989 2173 G HN 0.653 nan 8.290 nan 0.000 0.547 2174 I N -0.625 120.148 120.570 0.338 0.000 2.118 2174 I HA -0.226 3.944 4.170 0.000 0.000 0.241 2174 I C 2.844 179.168 176.117 0.345 0.000 1.070 2174 I CA 2.518 63.951 61.300 0.222 0.000 1.327 2174 I CB -0.387 37.492 38.000 -0.201 0.000 1.034 2174 I HN 0.570 nan 8.210 nan 0.000 0.405 2175 W N 0.669 122.129 121.300 0.266 0.000 2.331 2175 W HA -0.147 4.513 4.660 0.000 0.000 0.291 2175 W C 2.196 178.803 176.519 0.147 0.000 1.214 2175 W CA 1.368 58.759 57.345 0.076 0.000 1.228 2175 W CB -0.811 28.633 29.460 -0.027 0.000 1.135 2175 W HN 0.277 nan 8.180 nan 0.000 0.537 2176 G N -2.960 106.064 108.800 0.374 0.000 3.192 2176 G HA2 0.174 4.134 3.960 0.000 0.000 0.239 2176 G HA3 0.174 4.134 3.960 0.000 0.000 0.239 2176 G C 0.361 174.854 174.900 -0.678 0.000 1.084 2176 G CA -0.091 44.984 45.100 -0.042 0.000 0.784 2176 G HN 0.100 nan 8.290 nan 0.000 0.540 2177 F N -0.811 119.385 119.950 0.410 0.000 2.936 2177 F HA 0.387 4.914 4.527 0.000 0.000 0.334 2177 F C 0.012 175.907 175.800 0.159 0.000 1.170 2177 F CA -1.645 56.442 58.000 0.145 0.000 1.104 2177 F CB 0.230 39.254 39.000 0.041 0.000 1.216 2177 F HN 0.021 nan 8.300 nan 0.000 0.518 2178 F N 2.340 122.502 119.950 0.352 0.000 2.502 2178 F HA 0.450 4.977 4.527 0.000 0.000 0.371 2178 F C 0.371 176.272 175.800 0.169 0.000 1.083 2178 F CA -0.031 58.095 58.000 0.210 0.000 1.174 2178 F CB 0.450 39.511 39.000 0.102 0.000 1.096 2178 F HN -0.084 nan 8.300 nan 0.000 0.545 2179 S N 3.711 119.043 115.700 -0.614 0.000 2.521 2179 S HA 0.354 4.824 4.470 0.000 0.000 0.295 2179 S C 0.467 174.692 174.600 -0.624 0.000 1.098 2179 S CA -0.082 57.838 58.200 -0.466 0.000 0.999 2179 S CB 1.325 64.363 63.200 -0.270 0.000 1.034 2179 S HN 0.795 nan 8.310 nan 0.000 0.483 2180 T N 0.956 115.286 114.554 -0.372 0.000 3.122 2180 T HA 0.395 4.745 4.350 0.000 0.000 0.250 2180 T C 1.485 176.118 174.700 -0.111 0.000 1.067 2180 T CA 0.527 62.488 62.100 -0.233 0.000 0.966 2180 T CB -0.155 68.696 68.868 -0.028 0.000 1.002 2180 T HN 1.687 nan 8.240 nan 0.000 0.542 2181 G N 2.057 110.785 108.800 -0.119 0.000 2.205 2181 G HA2 -0.240 3.721 3.960 0.000 0.000 0.261 2181 G HA3 -0.240 3.721 3.960 0.000 0.000 0.261 2181 G C -0.201 174.674 174.900 -0.041 0.000 0.980 2181 G CA 0.380 45.433 45.100 -0.078 0.000 0.632 2181 G HN 0.888 nan 8.290 nan 0.000 0.533 2182 D N -1.163 119.231 120.400 -0.009 0.000 2.758 2182 D HA 0.476 5.116 4.640 0.000 0.000 0.279 2182 D C 1.361 177.651 176.300 -0.017 0.000 1.111 2182 D CA -0.067 53.930 54.000 -0.006 0.000 1.109 2182 D CB -0.222 40.598 40.800 0.034 0.000 1.428 2182 D HN 0.139 nan 8.370 nan 0.000 0.586 2183 E N -0.248 119.889 120.200 -0.105 0.000 2.333 2183 E HA -0.230 4.120 4.350 0.000 0.000 0.198 2183 E C 0.821 177.356 176.600 -0.109 0.000 1.007 2183 E CA 1.123 57.449 56.400 -0.125 0.000 0.845 2183 E CB -0.604 28.978 29.700 -0.196 0.000 0.766 2183 E HN 0.502 nan 8.360 nan 0.000 0.507 2184 H N 0.373 119.506 119.070 0.105 0.000 2.546 2184 H HA 0.163 4.719 4.556 0.000 0.000 0.277 2184 H C 0.359 175.808 175.328 0.201 0.000 1.004 2184 H CA 1.055 57.179 56.048 0.127 0.000 1.231 2184 H CB 0.463 30.282 29.762 0.094 0.000 1.382 2184 H HN 0.131 nan 8.280 nan 0.000 0.580 2185 S N -0.402 115.494 115.700 0.326 0.000 2.949 2185 S HA 0.102 4.573 4.470 0.000 0.000 0.136 2185 S C 0.948 175.746 174.600 0.330 0.000 0.855 2185 S CA -0.535 57.975 58.200 0.516 0.000 0.869 2185 S CB -0.172 63.319 63.200 0.486 0.000 1.577 2185 S HN 0.205 nan 8.310 nan 0.000 0.602 2186 R N 1.229 121.842 120.500 0.188 0.000 2.134 2186 R HA 0.033 4.373 4.340 0.000 0.000 0.248 2186 R C 1.490 177.568 176.300 -0.370 0.000 1.143 2186 R CA 1.714 57.753 56.100 -0.101 0.000 0.957 2186 R CB -0.392 29.839 30.300 -0.114 0.000 0.867 2186 R HN 0.906 nan 8.270 nan 0.000 0.441 2187 G N -1.016 107.182 108.800 -1.004 0.000 2.466 2187 G HA2 -0.212 3.749 3.960 0.000 0.000 0.316 2187 G HA3 -0.212 3.749 3.960 0.000 0.000 0.316 2187 G C -0.562 173.540 174.900 -1.330 0.000 1.270 2187 G CA -0.319 44.013 45.100 -1.281 0.000 0.982 2187 G HN 0.253 nan 8.290 nan 0.000 0.506 2188 N N -1.078 117.214 118.700 -0.680 0.000 2.741 2188 N HA -0.206 4.535 4.740 0.000 0.000 0.251 2188 N C 1.242 176.535 175.510 -0.362 0.000 1.112 2188 N CA 2.009 54.905 53.050 -0.256 0.000 0.750 2188 N CB -1.600 36.863 38.487 -0.040 0.000 1.119 2188 N HN 0.712 nan 8.380 nan 0.000 0.561 2189 W N 0.535 121.746 121.300 -0.147 0.000 2.304 2189 W HA -0.170 4.490 4.660 0.000 0.000 0.315 2189 W C 2.502 178.908 176.519 -0.188 0.000 1.233 2189 W CA 0.891 58.167 57.345 -0.115 0.000 1.261 2189 W CB -0.797 28.616 29.460 -0.078 0.000 1.150 2189 W HN 0.291 nan 8.180 nan 0.000 0.494 2190 G N -0.081 108.492 108.800 -0.377 0.000 2.446 2190 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 2190 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 2190 G C 1.223 176.070 174.900 -0.089 0.000 1.168 2190 G CA 1.453 46.397 45.100 -0.259 0.000 0.771 2190 G HN 0.305 nan 8.290 nan 0.000 0.551 2191 H N 0.391 119.467 119.070 0.010 0.000 2.387 2191 H HA 0.056 4.612 4.556 0.000 0.000 0.299 2191 H C 2.731 178.062 175.328 0.005 0.000 1.090 2191 H CA 0.952 56.992 56.048 -0.013 0.000 1.332 2191 H CB -0.270 29.500 29.762 0.013 0.000 1.386 2191 H HN 0.287 nan 8.280 nan 0.000 0.516 2192 L N 0.369 121.689 121.223 0.163 0.000 2.141 2192 L HA -0.141 4.200 4.340 0.000 0.000 0.209 2192 L C 2.034 179.019 176.870 0.192 0.000 1.094 2192 L CA 0.842 55.783 54.840 0.168 0.000 0.763 2192 L CB -0.216 41.967 42.059 0.208 0.000 0.908 2192 L HN 0.098 nan 8.230 nan 0.000 0.437 2193 D N 0.017 120.546 120.400 0.215 0.000 2.117 2193 D HA -0.176 4.465 4.640 0.000 0.000 0.198 2193 D C 2.296 178.747 176.300 0.251 0.000 0.982 2193 D CA 1.102 55.301 54.000 0.332 0.000 0.828 2193 D CB -0.115 40.910 40.800 0.376 0.000 0.967 2193 D HN 0.431 nan 8.370 nan 0.000 0.464 2194 Q N 0.299 120.155 119.800 0.094 0.000 2.084 2194 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 2194 Q C 2.421 178.393 176.000 -0.046 0.000 0.978 2194 Q CA 0.850 56.618 55.803 -0.058 0.000 0.844 2194 Q CB -0.029 28.613 28.738 -0.159 0.000 0.898 2194 Q HN 0.144 nan 8.270 nan 0.000 0.426 2195 V N 1.172 121.106 119.914 0.032 0.000 2.343 2195 V HA -0.276 3.844 4.120 0.000 0.000 0.247 2195 V C 2.310 178.455 176.094 0.085 0.000 1.051 2195 V CA 1.779 64.114 62.300 0.058 0.000 1.036 2195 V CB -0.999 30.878 31.823 0.090 0.000 0.654 2195 V HN 0.411 nan 8.190 nan 0.000 0.451 2196 A N 0.093 122.999 122.820 0.143 0.000 1.908 2196 A HA -0.146 4.174 4.320 0.000 0.000 0.218 2196 A C 2.424 180.094 177.584 0.144 0.000 1.181 2196 A CA 2.149 54.326 52.037 0.234 0.000 0.627 2196 A CB -0.791 18.450 19.000 0.400 0.000 0.818 2196 A HN 0.579 nan 8.150 nan 0.000 0.445 2197 A N -0.476 122.195 122.820 -0.249 0.000 1.933 2197 A HA -0.007 4.313 4.320 0.000 0.000 0.218 2197 A C 2.155 179.668 177.584 -0.118 0.000 1.175 2197 A CA 1.421 53.046 52.037 -0.688 0.000 0.628 2197 A CB -0.528 17.785 19.000 -1.144 0.000 0.814 2197 A HN 0.478 nan 8.150 nan 0.000 0.444 2198 L N -1.001 120.203 121.223 -0.032 0.000 2.093 2198 L HA -0.160 4.181 4.340 0.000 0.000 0.208 2198 L C 2.852 179.797 176.870 0.126 0.000 1.085 2198 L CA 1.062 55.941 54.840 0.066 0.000 0.755 2198 L CB -0.427 41.672 42.059 0.067 0.000 0.904 2198 L HN 0.361 nan 8.230 nan 0.000 0.435 2199 R N -1.012 119.571 120.500 0.137 0.000 2.096 2199 R HA -0.224 4.116 4.340 0.000 0.000 0.235 2199 R C 2.040 178.434 176.300 0.157 0.000 1.127 2199 R CA 1.789 57.970 56.100 0.136 0.000 0.968 2199 R CB -0.642 29.744 30.300 0.144 0.000 0.861 2199 R HN 0.438 nan 8.270 nan 0.000 0.440 2200 W N 1.495 122.831 121.300 0.060 0.000 2.338 2200 W HA -0.220 4.440 4.660 0.000 0.000 0.304 2200 W C 1.906 178.457 176.519 0.054 0.000 1.212 2200 W CA 1.322 58.717 57.345 0.083 0.000 1.264 2200 W CB -0.167 29.370 29.460 0.128 0.000 1.142 2200 W HN -0.241 nan 8.180 nan 0.000 0.512 2201 V N 1.008 121.123 119.914 0.335 0.000 2.332 2201 V HA -0.359 3.761 4.120 0.000 0.000 0.248 2201 V C 2.482 178.579 176.094 0.005 0.000 1.055 2201 V CA 2.129 64.547 62.300 0.197 0.000 1.038 2201 V CB -1.091 30.871 31.823 0.232 0.000 0.651 2201 V HN 0.224 nan 8.190 nan 0.000 0.450 2202 Q N -0.254 119.562 119.800 0.028 0.000 2.291 2202 Q HA -0.158 4.182 4.340 0.000 0.000 0.206 2202 Q C 1.382 177.333 176.000 -0.082 0.000 0.976 2202 Q CA 1.188 56.993 55.803 0.004 0.000 0.875 2202 Q CB -0.331 28.427 28.738 0.033 0.000 0.927 2202 Q HN 0.669 nan 8.270 nan 0.000 0.450 2203 D N -0.835 119.454 120.400 -0.186 0.000 2.395 2203 D HA 0.110 4.750 4.640 0.000 0.000 0.213 2203 D C 0.736 176.794 176.300 -0.404 0.000 1.110 2203 D CA 0.055 53.900 54.000 -0.259 0.000 0.835 2203 D CB 0.437 41.082 40.800 -0.258 0.000 0.965 2203 D HN 0.226 nan 8.370 nan 0.000 0.505 2204 N N -0.222 118.177 118.700 -0.503 0.000 2.072 2204 N HA -0.016 4.724 4.740 0.000 0.000 0.246 2204 N C 1.514 176.930 175.510 -0.156 0.000 1.215 2204 N CA -0.220 52.506 53.050 -0.540 0.000 0.799 2204 N CB 0.844 38.492 38.487 -1.399 0.000 1.407 2204 N HN -0.066 nan 8.380 nan 0.000 0.489 2205 I N 3.071 123.576 120.570 -0.109 0.000 2.300 2205 I HA -0.196 3.974 4.170 0.000 0.000 0.252 2205 I C 2.175 178.409 176.117 0.195 0.000 1.119 2205 I CA 1.006 62.395 61.300 0.149 0.000 1.384 2205 I CB -0.360 37.709 38.000 0.116 0.000 1.062 2205 I HN 0.163 nan 8.210 nan 0.000 0.426 2206 A N -1.326 121.533 122.820 0.065 0.000 2.076 2206 A HA -0.170 4.150 4.320 0.000 0.000 0.220 2206 A C 2.364 179.960 177.584 0.019 0.000 1.160 2206 A CA 1.928 53.986 52.037 0.036 0.000 0.653 2206 A CB -0.765 18.227 19.000 -0.014 0.000 0.801 2206 A HN 0.447 nan 8.150 nan 0.000 0.455 2207 S N -1.513 114.183 115.700 -0.007 0.000 2.593 2207 S HA 0.198 4.668 4.470 0.000 0.000 0.217 2207 S C 0.163 174.540 174.600 -0.373 0.000 0.966 2207 S CA 0.156 58.236 58.200 -0.200 0.000 0.914 2207 S CB -0.290 62.710 63.200 -0.333 0.000 0.776 2207 S HN 0.551 nan 8.310 nan 0.000 0.523 2208 F N 0.616 120.555 119.950 -0.018 0.000 2.791 2208 F HA 0.371 4.899 4.527 0.000 0.000 0.308 2208 F C 1.443 177.284 175.800 0.069 0.000 1.138 2208 F CA -0.425 57.583 58.000 0.015 0.000 1.294 2208 F CB 0.261 39.258 39.000 -0.005 0.000 0.975 2208 F HN 0.164 nan 8.300 nan 0.000 0.512 2209 G N 0.633 109.528 108.800 0.158 0.000 2.168 2209 G HA2 -0.186 3.774 3.960 0.000 0.000 0.257 2209 G HA3 -0.186 3.774 3.960 0.000 0.000 0.257 2209 G C 0.544 175.522 174.900 0.130 0.000 0.997 2209 G CA 0.002 45.178 45.100 0.127 0.000 0.708 2209 G HN 0.779 nan 8.290 nan 0.000 0.520 2210 G N -0.674 108.216 108.800 0.149 0.000 2.389 2210 G HA2 0.517 4.477 3.960 0.000 0.000 0.328 2210 G HA3 0.517 4.477 3.960 0.000 0.000 0.328 2210 G C -0.360 174.587 174.900 0.078 0.000 1.133 2210 G CA -0.221 44.953 45.100 0.124 0.000 0.891 2210 G HN 0.515 nan 8.290 nan 0.000 0.485 2211 N N 2.042 120.773 118.700 0.051 0.000 2.437 2211 N HA 0.277 5.017 4.740 0.000 0.000 0.243 2211 N C -1.023 174.495 175.510 0.012 0.000 1.041 2211 N CA -2.454 50.604 53.050 0.013 0.000 0.940 2211 N CB 1.841 40.316 38.487 -0.019 0.000 1.133 2211 N HN 0.126 nan 8.380 nan 0.000 0.506 2212 P HA -0.040 nan 4.420 nan 0.000 0.226 2212 P C 0.882 178.219 177.300 0.063 0.000 1.146 2212 P CA 0.768 63.903 63.100 0.058 0.000 0.773 2212 P CB 0.130 31.851 31.700 0.034 0.000 0.772 2213 G N -0.850 107.911 108.800 -0.065 0.000 2.880 2213 G HA2 -0.025 3.935 3.960 0.000 0.000 0.209 2213 G HA3 -0.025 3.935 3.960 0.000 0.000 0.209 2213 G C 0.672 175.092 174.900 -0.800 0.000 1.157 2213 G CA 0.150 45.103 45.100 -0.246 0.000 0.779 2213 G HN 0.338 nan 8.290 nan 0.000 0.539 2214 S N 0.337 115.767 115.700 -0.451 0.000 2.112 2214 S HA 0.482 4.952 4.470 0.000 0.000 0.151 2214 S C -0.777 173.796 174.600 -0.045 0.000 1.723 2214 S CA -0.422 57.549 58.200 -0.382 0.000 1.263 2214 S CB 0.339 63.420 63.200 -0.197 0.000 1.194 2214 S HN -0.051 nan 8.310 nan 0.000 0.419 2215 V N 3.288 123.353 119.914 0.251 0.000 2.370 2215 V HA 0.502 4.623 4.120 0.000 0.000 0.283 2215 V C 0.244 176.533 176.094 0.324 0.000 1.023 2215 V CA -0.428 62.059 62.300 0.312 0.000 0.857 2215 V CB 1.638 33.668 31.823 0.346 0.000 0.985 2215 V HN 0.602 nan 8.190 nan 0.000 0.443 2216 T N 6.539 121.214 114.554 0.202 0.000 2.779 2216 T HA 0.621 4.971 4.350 0.000 0.000 0.280 2216 T C -0.126 174.705 174.700 0.218 0.000 0.987 2216 T CA -0.182 62.020 62.100 0.170 0.000 0.966 2216 T CB 0.926 69.815 68.868 0.034 0.000 0.933 2216 T HN 0.618 nan 8.240 nan 0.000 0.442 2217 I N 1.512 122.196 120.570 0.191 0.000 2.437 2217 I HA 0.898 5.068 4.170 0.000 0.000 0.298 2217 I C -0.928 175.388 176.117 0.331 0.000 0.984 2217 I CA -1.058 60.346 61.300 0.173 0.000 1.214 2217 I CB 1.123 39.004 38.000 -0.198 0.000 1.365 2217 I HN 0.528 nan 8.210 nan 0.000 0.469 2218 F N 2.682 122.649 119.950 0.029 0.000 2.665 2218 F HA 0.964 5.491 4.527 0.000 0.000 0.308 2218 F C -0.574 175.156 175.800 -0.117 0.000 1.112 2218 F CA -1.230 56.817 58.000 0.079 0.000 0.972 2218 F CB 1.129 40.293 39.000 0.273 0.000 1.295 2218 F HN 0.845 nan 8.300 nan 0.000 0.440 2219 G N 0.993 109.585 108.800 -0.347 0.000 2.660 2219 G HA2 0.518 4.478 3.960 0.000 0.000 0.290 2219 G HA3 0.518 4.478 3.960 0.000 0.000 0.290 2219 G C -2.464 172.141 174.900 -0.493 0.000 1.432 2219 G CA -0.786 43.638 45.100 -1.128 0.000 0.807 2219 G HN 0.858 nan 8.290 nan 0.000 0.485 2220 E N 0.157 120.062 120.200 -0.491 0.000 2.227 2220 E HA 0.625 4.975 4.350 0.000 0.000 0.268 2220 E C 0.672 177.293 176.600 0.034 0.000 0.907 2220 E CA 0.225 56.624 56.400 -0.002 0.000 0.786 2220 E CB 2.128 31.960 29.700 0.221 0.000 1.191 2220 E HN 0.735 nan 8.360 nan 0.000 0.411 2221 S N 2.198 117.983 115.700 0.142 0.000 4.054 2221 S HA -0.394 4.076 4.470 0.000 0.000 0.618 2221 S C 1.468 176.177 174.600 0.182 0.000 2.026 2221 S CA 1.954 60.341 58.200 0.313 0.000 4.205 2221 S CB -1.553 61.920 63.200 0.456 0.000 0.233 2221 S HN 0.942 nan 8.310 nan 0.000 0.612 2222 A N 0.824 123.746 122.820 0.170 0.000 1.986 2222 A HA 0.020 4.340 4.320 0.000 0.000 0.220 2222 A C 2.479 180.040 177.584 -0.038 0.000 1.171 2222 A CA 2.721 54.797 52.037 0.065 0.000 0.640 2222 A CB -1.629 17.425 19.000 0.090 0.000 0.811 2222 A HN 1.645 nan 8.150 nan 0.000 0.451 2223 G N -0.892 107.847 108.800 -0.102 0.000 2.422 2223 G HA2 0.062 4.022 3.960 0.000 0.000 0.218 2223 G HA3 0.062 4.022 3.960 0.000 0.000 0.218 2223 G C 1.448 176.199 174.900 -0.248 0.000 1.140 2223 G CA 1.204 46.119 45.100 -0.309 0.000 0.775 2223 G HN 0.701 nan 8.290 nan 0.000 0.545 2224 G N 0.238 108.967 108.800 -0.118 0.000 2.394 2224 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 2224 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 2224 G C 1.552 176.440 174.900 -0.021 0.000 1.165 2224 G CA 1.027 46.105 45.100 -0.036 0.000 0.784 2224 G HN 0.410 nan 8.290 nan 0.000 0.535 2225 E N 1.037 121.228 120.200 -0.015 0.000 2.110 2225 E HA -0.104 4.246 4.350 0.000 0.000 0.193 2225 E C 2.547 179.106 176.600 -0.069 0.000 0.988 2225 E CA 1.206 57.588 56.400 -0.030 0.000 0.804 2225 E CB -0.200 29.483 29.700 -0.028 0.000 0.745 2225 E HN 0.343 nan 8.360 nan 0.000 0.458 2226 S N 0.167 115.817 115.700 -0.084 0.000 2.355 2226 S HA -0.115 4.355 4.470 0.000 0.000 0.222 2226 S C 2.167 176.654 174.600 -0.188 0.000 1.031 2226 S CA 1.147 59.285 58.200 -0.103 0.000 0.993 2226 S CB -0.293 62.792 63.200 -0.192 0.000 0.859 2226 S HN 0.138 nan 8.310 nan 0.000 0.453 2227 V N 1.512 121.309 119.914 -0.196 0.000 2.392 2227 V HA -0.184 3.936 4.120 0.000 0.000 0.249 2227 V C 2.592 178.561 176.094 -0.209 0.000 1.059 2227 V CA 2.038 64.200 62.300 -0.229 0.000 1.051 2227 V CB -0.805 30.939 31.823 -0.132 0.000 0.658 2227 V HN 0.558 nan 8.190 nan 0.000 0.455 2228 S N -0.719 114.929 115.700 -0.087 0.000 2.383 2228 S HA -0.135 4.335 4.470 0.000 0.000 0.227 2228 S C 1.919 176.445 174.600 -0.123 0.000 1.026 2228 S CA 1.670 59.846 58.200 -0.040 0.000 0.981 2228 S CB -0.085 63.146 63.200 0.053 0.000 0.818 2228 S HN 0.356 nan 8.310 nan 0.000 0.472 2229 V N 2.057 121.866 119.914 -0.176 0.000 2.379 2229 V HA -0.066 4.054 4.120 0.000 0.000 0.245 2229 V C 2.362 178.330 176.094 -0.210 0.000 1.044 2229 V CA 1.513 63.669 62.300 -0.240 0.000 1.036 2229 V CB -0.663 30.899 31.823 -0.436 0.000 0.664 2229 V HN 0.466 nan 8.190 nan 0.000 0.453 2230 L N -0.297 120.795 121.223 -0.218 0.000 2.131 2230 L HA -0.149 4.191 4.340 0.000 0.000 0.210 2230 L C 2.439 179.312 176.870 0.004 0.000 1.092 2230 L CA 1.002 55.747 54.840 -0.158 0.000 0.759 2230 L CB -0.609 41.248 42.059 -0.336 0.000 0.903 2230 L HN 0.218 nan 8.230 nan 0.000 0.435 2231 V N 0.105 119.987 119.914 -0.053 0.000 2.515 2231 V HA -0.248 3.872 4.120 0.000 0.000 0.250 2231 V C 2.170 178.327 176.094 0.106 0.000 1.058 2231 V CA 1.498 63.863 62.300 0.108 0.000 1.064 2231 V CB -0.269 31.446 31.823 -0.181 0.000 0.675 2231 V HN 0.393 nan 8.190 nan 0.000 0.461 2232 L N -0.903 120.287 121.223 -0.056 0.000 2.375 2232 L HA 0.134 4.474 4.340 0.000 0.000 0.215 2232 L C 1.380 178.073 176.870 -0.295 0.000 1.108 2232 L CA 0.238 54.949 54.840 -0.214 0.000 0.830 2232 L CB -0.143 41.803 42.059 -0.188 0.000 0.959 2232 L HN 0.197 nan 8.230 nan 0.000 0.457 2233 S N 0.230 115.867 115.700 -0.106 0.000 2.548 2233 S HA 0.173 4.643 4.470 0.000 0.000 0.277 2233 S C -1.583 173.095 174.600 0.131 0.000 1.315 2233 S CA -1.228 56.943 58.200 -0.048 0.000 1.050 2233 S CB 1.138 64.323 63.200 -0.025 0.000 0.918 2233 S HN -0.100 nan 8.310 nan 0.000 0.497 2234 P HA 0.033 nan 4.420 nan 0.000 0.222 2234 P C 1.168 178.600 177.300 0.221 0.000 1.153 2234 P CA 0.740 64.036 63.100 0.327 0.000 0.798 2234 P CB 0.078 31.898 31.700 0.201 0.000 0.796 2235 L N -1.041 120.265 121.223 0.140 0.000 2.141 2235 L HA -0.108 4.233 4.340 0.000 0.000 0.209 2235 L C 2.263 179.214 176.870 0.135 0.000 1.094 2235 L CA 1.473 56.382 54.840 0.114 0.000 0.763 2235 L CB -1.138 40.974 42.059 0.088 0.000 0.908 2235 L HN -0.043 nan 8.230 nan 0.000 0.437 2236 A N -0.351 122.578 122.820 0.182 0.000 2.167 2236 A HA -0.078 4.242 4.320 0.000 0.000 0.214 2236 A C 1.228 178.953 177.584 0.236 0.000 1.151 2236 A CA 0.030 52.223 52.037 0.260 0.000 0.735 2236 A CB -0.293 18.918 19.000 0.352 0.000 0.802 2236 A HN 0.224 nan 8.150 nan 0.000 0.467 2237 K N 1.141 121.635 120.400 0.156 0.000 2.511 2237 K HA -0.082 4.238 4.320 0.000 0.000 0.280 2237 K C -0.232 176.342 176.600 -0.043 0.000 1.008 2237 K CA 0.625 56.924 56.287 0.019 0.000 1.050 2237 K CB -0.039 32.459 32.500 -0.004 0.000 0.889 2237 K HN 0.459 nan 8.250 nan 0.000 0.484 2238 N N 2.231 120.851 118.700 -0.132 0.000 2.878 2238 N HA -0.219 4.521 4.740 0.000 0.000 0.247 2238 N C 0.271 175.681 175.510 -0.167 0.000 1.021 2238 N CA 1.045 54.001 53.050 -0.157 0.000 0.873 2238 N CB -1.084 37.345 38.487 -0.098 0.000 1.128 2238 N HN 0.594 nan 8.380 nan 0.000 0.571 2239 L N -0.854 120.297 121.223 -0.119 0.000 2.590 2239 L HA 0.251 4.591 4.340 0.000 0.000 0.227 2239 L C 0.289 177.222 176.870 0.106 0.000 1.099 2239 L CA 0.259 55.133 54.840 0.056 0.000 0.872 2239 L CB 0.082 42.259 42.059 0.196 0.000 1.088 2239 L HN 0.179 nan 8.230 nan 0.000 0.479 2240 F N -4.180 115.586 119.950 -0.306 0.000 2.668 2240 F HA 0.438 4.966 4.527 0.000 0.000 0.309 2240 F C 0.010 175.469 175.800 -0.568 0.000 1.117 2240 F CA -1.135 56.676 58.000 -0.314 0.000 0.951 2240 F CB 0.759 39.695 39.000 -0.105 0.000 1.323 2240 F HN -0.080 nan 8.300 nan 0.000 0.451 2241 H N -0.565 118.505 119.070 0.000 0.000 2.893 2241 H HA 0.554 5.110 4.556 0.000 0.000 0.270 2241 H C -0.611 174.670 175.328 -0.079 0.000 1.095 2241 H CA -0.525 55.449 56.048 -0.123 0.000 1.186 2241 H CB 0.518 30.234 29.762 -0.078 0.000 1.562 2241 H HN 0.499 nan 8.280 nan 0.000 0.536 2242 R N 0.218 120.826 120.500 0.179 0.000 2.629 2242 R HA 0.750 5.090 4.340 0.000 0.000 0.266 2242 R C -1.585 174.892 176.300 0.295 0.000 1.051 2242 R CA -0.667 55.498 56.100 0.107 0.000 0.895 2242 R CB 2.165 32.352 30.300 -0.188 0.000 1.246 2242 R HN 0.162 nan 8.270 nan 0.000 0.459 2243 A N 2.773 125.793 122.820 0.333 0.000 2.449 2243 A HA 0.821 5.141 4.320 0.000 0.000 0.302 2243 A C -1.129 176.705 177.584 0.417 0.000 1.048 2243 A CA -0.650 51.534 52.037 0.246 0.000 0.708 2243 A CB 1.213 20.172 19.000 -0.068 0.000 1.274 2243 A HN 0.591 nan 8.150 nan 0.000 0.410 2244 I N 1.251 122.000 120.570 0.299 0.000 2.499 2244 I HA 0.360 4.530 4.170 0.000 0.000 0.288 2244 I C -0.296 175.955 176.117 0.224 0.000 1.048 2244 I CA -0.332 61.078 61.300 0.184 0.000 1.062 2244 I CB 2.425 40.424 38.000 -0.002 0.000 1.238 2244 I HN 0.493 nan 8.210 nan 0.000 0.426 2245 S N 4.897 120.680 115.700 0.138 0.000 2.456 2245 S HA 0.366 4.836 4.470 0.000 0.000 0.316 2245 S C -0.544 174.112 174.600 0.094 0.000 1.089 2245 S CA -0.653 57.610 58.200 0.105 0.000 1.101 2245 S CB 1.114 64.353 63.200 0.066 0.000 0.995 2245 S HN 0.481 nan 8.310 nan 0.000 0.468 2246 E N 1.890 122.194 120.200 0.173 0.000 2.063 2246 E HA 0.338 4.689 4.350 0.000 0.000 0.265 2246 E C -0.583 176.105 176.600 0.147 0.000 0.919 2246 E CA -0.500 56.042 56.400 0.236 0.000 0.756 2246 E CB 0.956 30.877 29.700 0.368 0.000 1.120 2246 E HN 0.650 nan 8.360 nan 0.000 0.414 2247 S N 1.976 117.743 115.700 0.112 0.000 3.667 2247 S HA -0.114 4.356 4.470 0.000 0.000 0.405 2247 S C 0.038 174.882 174.600 0.407 0.000 0.913 2247 S CA 0.494 58.793 58.200 0.166 0.000 1.288 2247 S CB -1.089 62.110 63.200 -0.002 0.000 0.905 2247 S HN 0.968 nan 8.310 nan 0.000 0.550 2248 G N -0.859 108.136 108.800 0.325 0.000 2.146 2248 G HA2 0.497 4.458 3.960 0.000 0.000 0.261 2248 G HA3 0.497 4.458 3.960 0.000 0.000 0.261 2248 G C -0.767 174.185 174.900 0.087 0.000 1.745 2248 G CA 0.116 45.365 45.100 0.249 0.000 0.905 2248 G HN 1.556 nan 8.290 nan 0.000 0.746 2249 V N -0.701 119.227 119.914 0.022 0.000 3.105 2249 V HA 0.953 5.073 4.120 0.000 0.000 0.311 2249 V C 1.318 177.388 176.094 -0.041 0.000 1.287 2249 V CA -0.036 62.264 62.300 -0.001 0.000 1.066 2249 V CB 1.159 32.974 31.823 -0.012 0.000 1.105 2249 V HN 2.103 nan 8.190 nan 0.000 0.462 2250 A N -0.707 122.090 122.820 -0.039 0.000 2.209 2250 A HA 0.294 4.614 4.320 0.000 0.000 0.212 2250 A C 1.529 179.064 177.584 -0.082 0.000 1.158 2250 A CA 1.045 53.038 52.037 -0.073 0.000 0.742 2250 A CB -0.700 18.255 19.000 -0.075 0.000 0.790 2250 A HN 0.782 nan 8.150 nan 0.000 0.472 2251 L N -0.389 120.788 121.223 -0.076 0.000 2.607 2251 L HA 0.056 4.396 4.340 0.000 0.000 0.228 2251 L C 0.310 177.101 176.870 -0.131 0.000 1.123 2251 L CA 0.105 54.893 54.840 -0.087 0.000 0.890 2251 L CB 0.060 42.081 42.059 -0.064 0.000 1.103 2251 L HN 0.105 nan 8.230 nan 0.000 0.468 2252 T N -0.009 114.451 114.554 -0.157 0.000 4.104 2252 T HA 0.042 4.392 4.350 0.000 0.000 0.285 2252 T C 1.481 176.052 174.700 -0.215 0.000 1.346 2252 T CA -0.009 61.949 62.100 -0.237 0.000 1.158 2252 T CB 0.349 69.062 68.868 -0.258 0.000 1.290 2252 T HN 0.195 nan 8.240 nan 0.000 0.975 2253 S N 1.930 117.509 115.700 -0.202 0.000 2.426 2253 S HA -0.204 4.266 4.470 0.000 0.000 0.253 2253 S C 2.299 176.781 174.600 -0.196 0.000 1.104 2253 S CA 1.530 59.615 58.200 -0.191 0.000 1.158 2253 S CB -0.688 62.387 63.200 -0.209 0.000 1.043 2253 S HN 0.595 nan 8.310 nan 0.000 0.443 2254 V N 1.105 120.885 119.914 -0.223 0.000 2.736 2254 V HA -0.176 3.945 4.120 0.000 0.000 0.262 2254 V C 1.460 177.453 176.094 -0.169 0.000 1.114 2254 V CA 1.773 63.956 62.300 -0.196 0.000 1.133 2254 V CB -0.404 31.297 31.823 -0.205 0.000 0.703 2254 V HN 0.498 nan 8.190 nan 0.000 0.495 2255 L N -1.354 119.767 121.223 -0.170 0.000 2.609 2255 L HA 0.255 4.595 4.340 0.000 0.000 0.230 2255 L C 0.340 177.113 176.870 -0.162 0.000 1.087 2255 L CA -0.079 54.660 54.840 -0.167 0.000 0.874 2255 L CB 0.931 42.904 42.059 -0.144 0.000 1.114 2255 L HN 0.026 nan 8.230 nan 0.000 0.488 2256 V N 1.895 121.722 119.914 -0.145 0.000 2.328 2256 V HA 0.257 4.377 4.120 0.000 0.000 0.278 2256 V C -0.204 175.818 176.094 -0.121 0.000 1.021 2256 V CA -0.838 61.387 62.300 -0.125 0.000 0.838 2256 V CB 1.302 33.053 31.823 -0.119 0.000 0.999 2256 V HN 0.036 nan 8.190 nan 0.000 0.447 2257 K N 4.985 125.319 120.400 -0.110 0.000 2.312 2257 K HA 0.477 4.797 4.320 0.000 0.000 0.287 2257 K C -0.283 176.263 176.600 -0.090 0.000 1.062 2257 K CA -0.163 56.063 56.287 -0.100 0.000 0.934 2257 K CB 1.157 33.599 32.500 -0.097 0.000 1.027 2257 K HN 0.564 nan 8.250 nan 0.000 0.478 2258 K N 0.370 120.720 120.400 -0.084 0.000 2.281 2258 K HA 0.678 4.998 4.320 0.000 0.000 0.242 2258 K C 0.252 176.814 176.600 -0.063 0.000 0.971 2258 K CA -0.520 55.722 56.287 -0.075 0.000 0.834 2258 K CB 1.762 34.215 32.500 -0.078 0.000 1.181 2258 K HN 0.707 nan 8.250 nan 0.000 0.435 2259 G N 1.209 109.976 108.800 -0.056 0.000 2.545 2259 G HA2 -0.229 3.732 3.960 0.000 0.000 0.216 2259 G HA3 -0.229 3.732 3.960 0.000 0.000 0.216 2259 G C -1.344 173.528 174.900 -0.048 0.000 1.314 2259 G CA -0.433 44.639 45.100 -0.046 0.000 0.906 2259 G HN 0.664 nan 8.290 nan 0.000 0.563 2260 D N 0.335 120.711 120.400 -0.040 0.000 2.316 2260 D HA 0.442 5.082 4.640 0.000 0.000 0.245 2260 D C 1.729 177.998 176.300 -0.051 0.000 1.171 2260 D CA 0.465 54.440 54.000 -0.043 0.000 0.856 2260 D CB 1.273 42.054 40.800 -0.031 0.000 1.090 2260 D HN 1.180 nan 8.370 nan 0.000 0.476 2261 V N 2.151 122.022 119.914 -0.071 0.000 3.406 2261 V HA 0.065 4.185 4.120 0.000 0.000 0.263 2261 V C 2.095 178.130 176.094 -0.099 0.000 1.172 2261 V CA 0.412 62.658 62.300 -0.091 0.000 1.140 2261 V CB -0.394 31.354 31.823 -0.126 0.000 0.784 2261 V HN 0.285 nan 8.190 nan 0.000 0.467 2262 K N 2.096 122.448 120.400 -0.079 0.000 2.059 2262 K HA -0.115 4.205 4.320 0.000 0.000 0.212 2262 K C -0.130 176.444 176.600 -0.044 0.000 1.050 2262 K CA 2.554 58.802 56.287 -0.065 0.000 0.927 2262 K CB -1.700 30.779 32.500 -0.036 0.000 0.714 2262 K HN 0.453 nan 8.250 nan 0.000 0.447 2263 P HA -0.144 nan 4.420 nan 0.000 0.217 2263 P C 1.400 178.699 177.300 -0.001 0.000 1.150 2263 P CA 0.969 64.063 63.100 -0.010 0.000 0.832 2263 P CB 0.034 31.728 31.700 -0.009 0.000 0.787 2264 L N -1.023 120.192 121.223 -0.015 0.000 2.056 2264 L HA -0.153 4.187 4.340 0.000 0.000 0.207 2264 L C 2.176 179.060 176.870 0.024 0.000 1.078 2264 L CA 1.687 56.534 54.840 0.012 0.000 0.749 2264 L CB -0.856 41.197 42.059 -0.010 0.000 0.901 2264 L HN -0.043 nan 8.230 nan 0.000 0.433 2265 A N 0.013 122.796 122.820 -0.062 0.000 1.865 2265 A HA -0.285 4.035 4.320 0.000 0.000 0.217 2265 A C 1.995 179.658 177.584 0.132 0.000 1.191 2265 A CA 2.026 54.030 52.037 -0.056 0.000 0.623 2265 A CB -0.652 18.192 19.000 -0.261 0.000 0.826 2265 A HN 0.555 nan 8.150 nan 0.000 0.444 2266 E N -0.954 119.284 120.200 0.063 0.000 2.118 2266 E HA -0.264 4.087 4.350 0.000 0.000 0.195 2266 E C 2.268 178.908 176.600 0.067 0.000 0.992 2266 E CA 1.331 57.770 56.400 0.065 0.000 0.804 2266 E CB -0.166 29.554 29.700 0.032 0.000 0.741 2266 E HN 0.787 nan 8.360 nan 0.000 0.458 2267 Q N 0.482 120.321 119.800 0.065 0.000 2.119 2267 Q HA -0.156 4.184 4.340 0.000 0.000 0.201 2267 Q C 2.152 178.198 176.000 0.077 0.000 0.972 2267 Q CA 0.972 56.811 55.803 0.060 0.000 0.847 2267 Q CB 0.077 28.851 28.738 0.060 0.000 0.903 2267 Q HN 0.324 nan 8.270 nan 0.000 0.433 2268 I N 0.246 120.894 120.570 0.131 0.000 2.202 2268 I HA -0.239 3.932 4.170 0.000 0.000 0.242 2268 I C 2.464 178.627 176.117 0.078 0.000 1.091 2268 I CA 0.826 62.213 61.300 0.146 0.000 1.368 2268 I CB -0.530 37.637 38.000 0.278 0.000 1.058 2268 I HN 0.218 nan 8.210 nan 0.000 0.410 2269 A N 1.562 124.439 122.820 0.096 0.000 1.884 2269 A HA -0.239 4.081 4.320 0.000 0.000 0.219 2269 A C 2.294 179.882 177.584 0.007 0.000 1.197 2269 A CA 1.934 53.988 52.037 0.029 0.000 0.637 2269 A CB -1.031 18.005 19.000 0.060 0.000 0.827 2269 A HN 0.396 nan 8.150 nan 0.000 0.450 2270 I N -0.608 119.974 120.570 0.021 0.000 2.142 2270 I HA -0.238 3.932 4.170 0.000 0.000 0.240 2270 I C 2.519 178.635 176.117 -0.002 0.000 1.078 2270 I CA 1.845 63.150 61.300 0.008 0.000 1.343 2270 I CB -0.896 37.111 38.000 0.011 0.000 1.046 2270 I HN 0.259 nan 8.210 nan 0.000 0.405 2271 T N 0.728 115.283 114.554 0.001 0.000 2.849 2271 T HA -0.128 4.222 4.350 0.000 0.000 0.270 2271 T C 1.663 176.352 174.700 -0.019 0.000 1.066 2271 T CA 1.371 63.464 62.100 -0.012 0.000 1.130 2271 T CB -0.232 68.627 68.868 -0.015 0.000 0.864 2271 T HN 0.506 nan 8.240 nan 0.000 0.481 2272 A N 0.263 123.069 122.820 -0.022 0.000 2.275 2272 A HA 0.559 4.879 4.320 0.000 0.000 0.212 2272 A C 1.690 179.254 177.584 -0.033 0.000 1.201 2272 A CA 0.492 52.507 52.037 -0.038 0.000 0.843 2272 A CB -0.502 18.457 19.000 -0.067 0.000 0.873 2272 A HN 0.682 nan 8.150 nan 0.000 0.492 2273 G N -1.332 107.454 108.800 -0.023 0.000 2.212 2273 G HA2 -0.229 3.731 3.960 0.000 0.000 0.255 2273 G HA3 -0.229 3.731 3.960 0.000 0.000 0.255 2273 G C 0.045 174.932 174.900 -0.021 0.000 1.062 2273 G CA 0.138 45.227 45.100 -0.019 0.000 0.815 2273 G HN 0.595 nan 8.290 nan 0.000 0.497 2274 c N -0.564 118.023 118.600 -0.021 0.000 2.486 2274 c HA 0.761 5.331 4.570 0.000 0.000 0.348 2274 c C 0.928 175.014 174.090 -0.006 0.000 1.203 2274 c CA -0.901 55.415 56.329 -0.021 0.000 1.911 2274 c CB 1.695 44.181 42.510 -0.039 0.000 2.340 2274 c HN 0.593 nan 8.230 nan 0.000 0.511 2275 K N 0.311 120.710 120.400 -0.000 0.000 2.102 2275 K HA 0.431 4.751 4.320 0.000 0.000 0.244 2275 K C 0.609 177.216 176.600 0.011 0.000 1.021 2275 K CA 0.123 56.413 56.287 0.006 0.000 0.913 2275 K CB 0.589 33.094 32.500 0.008 0.000 1.062 2275 K HN 0.859 nan 8.250 nan 0.000 0.485 2276 T N -3.038 111.524 114.554 0.012 0.000 3.393 2276 T HA 0.077 4.427 4.350 0.000 0.000 0.298 2276 T C 0.905 175.611 174.700 0.010 0.000 1.004 2276 T CA -0.456 61.654 62.100 0.018 0.000 0.956 2276 T CB 0.114 68.995 68.868 0.022 0.000 1.182 2276 T HN 0.432 nan 8.240 nan 0.000 0.497 2277 T N 2.958 117.514 114.554 0.004 0.000 2.653 2277 T HA -0.048 4.302 4.350 0.000 0.000 0.268 2277 T C 1.162 175.856 174.700 -0.009 0.000 1.035 2277 T CA 2.076 64.174 62.100 -0.003 0.000 1.154 2277 T CB -0.412 68.452 68.868 -0.007 0.000 0.862 2277 T HN 0.881 nan 8.240 nan 0.000 0.441 2278 T N -2.588 111.955 114.554 -0.018 0.000 2.821 2278 T HA 0.503 4.853 4.350 0.000 0.000 0.306 2278 T C 0.909 175.586 174.700 -0.038 0.000 1.313 2278 T CA -0.357 61.722 62.100 -0.034 0.000 1.012 2278 T CB 1.686 70.511 68.868 -0.072 0.000 1.298 2278 T HN -0.164 nan 8.240 nan 0.000 0.502 2279 S N 0.742 116.418 115.700 -0.039 0.000 2.359 2279 S HA -0.142 4.328 4.470 0.000 0.000 0.222 2279 S C 2.550 177.114 174.600 -0.060 0.000 1.038 2279 S CA 1.877 60.078 58.200 0.000 0.000 1.051 2279 S CB -1.154 62.102 63.200 0.094 0.000 0.944 2279 S HN 1.033 nan 8.310 nan 0.000 0.433 2280 A N 1.134 123.765 122.820 -0.315 0.000 1.903 2280 A HA -0.152 4.168 4.320 0.000 0.000 0.219 2280 A C 2.377 179.921 177.584 -0.067 0.000 1.191 2280 A CA 2.089 53.957 52.037 -0.282 0.000 0.638 2280 A CB -1.211 17.506 19.000 -0.471 0.000 0.823 2280 A HN 0.357 nan 8.150 nan 0.000 0.451 2281 V N -0.081 119.797 119.914 -0.061 0.000 2.287 2281 V HA -0.369 3.751 4.120 0.000 0.000 0.248 2281 V C 2.674 178.794 176.094 0.044 0.000 1.053 2281 V CA 2.380 64.686 62.300 0.011 0.000 1.027 2281 V CB -0.745 31.076 31.823 -0.004 0.000 0.646 2281 V HN 0.593 nan 8.190 nan 0.000 0.447 2282 M N -0.547 119.069 119.600 0.027 0.000 2.065 2282 M HA -0.180 4.300 4.480 0.000 0.000 0.259 2282 M C 2.241 178.517 176.300 -0.040 0.000 1.069 2282 M CA 1.864 57.178 55.300 0.023 0.000 1.110 2282 M CB -0.667 31.995 32.600 0.103 0.000 1.328 2282 M HN 0.278 nan 8.290 nan 0.000 0.405 2283 V N -0.475 119.443 119.914 0.006 0.000 2.332 2283 V HA -0.301 3.819 4.120 0.000 0.000 0.248 2283 V C 2.280 178.380 176.094 0.009 0.000 1.055 2283 V CA 2.452 64.716 62.300 -0.059 0.000 1.038 2283 V CB -1.235 30.638 31.823 0.085 0.000 0.651 2283 V HN 0.497 nan 8.190 nan 0.000 0.450 2284 H N -0.609 118.447 119.070 -0.023 0.000 2.353 2284 H HA -0.198 4.359 4.556 0.000 0.000 0.300 2284 H C 2.353 177.672 175.328 -0.014 0.000 1.090 2284 H CA 2.181 58.226 56.048 -0.005 0.000 1.327 2284 H CB -0.632 29.122 29.762 -0.012 0.000 1.383 2284 H HN 0.450 nan 8.280 nan 0.000 0.508 2285 c N -0.044 118.501 118.600 -0.092 0.000 2.432 2285 c HA -0.078 4.492 4.570 0.000 0.000 0.277 2285 c C 2.786 176.782 174.090 -0.156 0.000 1.249 2285 c CA 1.028 57.268 56.329 -0.148 0.000 1.725 2285 c CB -1.438 41.036 42.510 -0.061 0.000 2.028 2285 c HN 0.664 nan 8.230 nan 0.000 0.477 2286 L N 0.351 121.483 121.223 -0.151 0.000 2.131 2286 L HA -0.097 4.243 4.340 0.000 0.000 0.210 2286 L C 2.934 179.815 176.870 0.018 0.000 1.092 2286 L CA 1.375 56.142 54.840 -0.122 0.000 0.759 2286 L CB -0.660 41.188 42.059 -0.351 0.000 0.903 2286 L HN 0.361 nan 8.230 nan 0.000 0.435 2287 R N -0.398 120.119 120.500 0.029 0.000 2.237 2287 R HA -0.115 4.225 4.340 0.000 0.000 0.219 2287 R C 2.061 178.303 176.300 -0.097 0.000 1.080 2287 R CA 0.639 56.738 56.100 -0.001 0.000 0.995 2287 R CB -0.052 30.252 30.300 0.006 0.000 0.875 2287 R HN 0.451 nan 8.270 nan 0.000 0.462 2288 Q N 0.585 120.292 119.800 -0.155 0.000 2.269 2288 Q HA 0.052 4.392 4.340 0.000 0.000 0.201 2288 Q C 0.385 176.335 176.000 -0.083 0.000 0.946 2288 Q CA 0.705 56.420 55.803 -0.146 0.000 0.877 2288 Q CB 0.126 28.746 28.738 -0.198 0.000 0.963 2288 Q HN 0.036 nan 8.270 nan 0.000 0.472 2289 K N 2.213 122.570 120.400 -0.072 0.000 2.380 2289 K HA 0.050 4.370 4.320 0.000 0.000 0.267 2289 K C 0.615 177.207 176.600 -0.014 0.000 0.990 2289 K CA 0.192 56.453 56.287 -0.044 0.000 0.946 2289 K CB 0.117 32.585 32.500 -0.053 0.000 0.937 2289 K HN 0.241 nan 8.250 nan 0.000 0.491 2290 T N -2.596 111.964 114.554 0.010 0.000 2.899 2290 T HA 0.083 4.433 4.350 0.000 0.000 0.284 2290 T C 1.292 176.054 174.700 0.104 0.000 1.004 2290 T CA -0.674 61.448 62.100 0.038 0.000 1.043 2290 T CB 1.334 70.220 68.868 0.029 0.000 1.013 2290 T HN 0.612 nan 8.240 nan 0.000 0.518 2291 E N 0.245 120.530 120.200 0.142 0.000 2.114 2291 E HA -0.297 4.053 4.350 0.000 0.000 0.199 2291 E C 1.746 178.511 176.600 0.275 0.000 1.008 2291 E CA 1.822 58.386 56.400 0.273 0.000 0.810 2291 E CB -0.084 29.677 29.700 0.103 0.000 0.739 2291 E HN 0.804 nan 8.360 nan 0.000 0.456 2292 E N 0.901 121.183 120.200 0.137 0.000 2.072 2292 E HA -0.183 4.167 4.350 0.000 0.000 0.191 2292 E C 1.770 178.437 176.600 0.110 0.000 0.985 2292 E CA 1.728 58.194 56.400 0.110 0.000 0.801 2292 E CB -0.085 29.648 29.700 0.055 0.000 0.750 2292 E HN 0.387 nan 8.360 nan 0.000 0.452 2293 E N 0.017 120.266 120.200 0.081 0.000 2.077 2293 E HA -0.152 4.199 4.350 0.000 0.000 0.193 2293 E C 2.201 178.828 176.600 0.045 0.000 0.989 2293 E CA 1.158 57.586 56.400 0.046 0.000 0.800 2293 E CB -0.188 29.521 29.700 0.015 0.000 0.746 2293 E HN 0.321 nan 8.360 nan 0.000 0.452 2294 L N 0.609 121.867 121.223 0.058 0.000 2.291 2294 L HA -0.128 4.212 4.340 0.000 0.000 0.214 2294 L C 2.449 179.364 176.870 0.075 0.000 1.120 2294 L CA 0.148 54.954 54.840 -0.058 0.000 0.799 2294 L CB -0.198 41.667 42.059 -0.323 0.000 0.925 2294 L HN 0.169 nan 8.230 nan 0.000 0.446 2295 L N -0.155 121.256 121.223 0.313 0.000 2.109 2295 L HA -0.133 4.208 4.340 0.000 0.000 0.207 2295 L C 2.393 179.370 176.870 0.178 0.000 1.086 2295 L CA 1.665 56.729 54.840 0.374 0.000 0.760 2295 L CB -0.371 41.865 42.059 0.295 0.000 0.910 2295 L HN 0.188 nan 8.230 nan 0.000 0.437 2296 E N -1.047 119.218 120.200 0.107 0.000 2.072 2296 E HA -0.172 4.179 4.350 0.000 0.000 0.191 2296 E C 1.904 178.521 176.600 0.027 0.000 0.985 2296 E CA 1.663 58.096 56.400 0.054 0.000 0.801 2296 E CB -0.326 29.394 29.700 0.033 0.000 0.750 2296 E HN 0.522 nan 8.360 nan 0.000 0.452 2297 T N 1.126 115.691 114.554 0.018 0.000 2.665 2297 T HA -0.175 4.175 4.350 0.000 0.000 0.268 2297 T C 2.072 176.760 174.700 -0.019 0.000 1.035 2297 T CA 1.899 63.991 62.100 -0.013 0.000 1.151 2297 T CB -0.593 68.259 68.868 -0.028 0.000 0.862 2297 T HN 0.193 nan 8.240 nan 0.000 0.438 2298 T N 2.796 117.380 114.554 0.050 0.000 2.635 2298 T HA -0.068 4.282 4.350 0.000 0.000 0.267 2298 T C 2.000 176.693 174.700 -0.013 0.000 1.040 2298 T CA 1.180 63.349 62.100 0.115 0.000 1.156 2298 T CB -0.624 68.407 68.868 0.271 0.000 0.863 2298 T HN 0.290 nan 8.240 nan 0.000 0.430 2299 L N 0.344 121.577 121.223 0.016 0.000 2.046 2299 L HA -0.107 4.233 4.340 0.000 0.000 0.208 2299 L C 2.725 179.538 176.870 -0.095 0.000 1.077 2299 L CA 1.434 56.261 54.840 -0.021 0.000 0.747 2299 L CB -0.567 41.498 42.059 0.011 0.000 0.896 2299 L HN 0.228 nan 8.230 nan 0.000 0.432 2300 K N -0.249 120.093 120.400 -0.097 0.000 2.032 2300 K HA -0.148 4.173 4.320 0.000 0.000 0.209 2300 K C 2.021 178.496 176.600 -0.209 0.000 1.048 2300 K CA 1.261 57.478 56.287 -0.116 0.000 0.927 2300 K CB -0.136 32.315 32.500 -0.082 0.000 0.712 2300 K HN 0.205 nan 8.250 nan 0.000 0.441 2301 M N 1.199 120.586 119.600 -0.355 0.000 2.629 2301 M HA -0.070 4.410 4.480 0.000 0.000 0.257 2301 M C -0.177 175.672 176.300 -0.752 0.000 1.071 2301 M CA 0.948 55.858 55.300 -0.650 0.000 1.077 2301 M CB -0.786 31.116 32.600 -1.164 0.000 1.423 2301 M HN 0.076 nan 8.290 nan 0.000 0.508 2302 K N 1.124 121.252 120.400 -0.453 0.000 4.075 2302 K HA -0.190 4.130 4.320 0.000 0.000 0.278 2302 K C -0.506 175.993 176.600 -0.170 0.000 0.862 2302 K CA 0.336 56.480 56.287 -0.239 0.000 0.762 2302 K CB -1.740 30.683 32.500 -0.129 0.000 1.660 2302 K HN 0.217 nan 8.250 nan 0.000 0.437 2303 F N 0.404 120.379 119.950 0.042 0.000 2.348 2303 F HA 0.250 4.777 4.527 0.000 0.000 0.308 2303 F C 2.141 177.966 175.800 0.042 0.000 1.175 2303 F CA -0.871 57.155 58.000 0.043 0.000 1.080 2303 F CB 0.445 39.481 39.000 0.060 0.000 1.341 2303 F HN 0.154 nan 8.300 nan 0.000 0.518 2304 L N -0.072 121.310 121.223 0.265 0.000 4.555 2304 L HA -0.289 4.051 4.340 0.000 0.000 0.431 2304 L C -0.548 176.395 176.870 0.122 0.000 1.136 2304 L CA 0.244 55.177 54.840 0.155 0.000 0.972 2304 L CB -1.983 40.156 42.059 0.133 0.000 1.999 2304 L HN 0.483 nan 8.230 nan 0.000 0.900 2305 S N -0.036 115.736 115.700 0.120 0.000 2.614 2305 S HA 0.577 5.047 4.470 0.000 0.000 0.288 2305 S C -0.429 174.217 174.600 0.076 0.000 1.137 2305 S CA -0.623 57.629 58.200 0.087 0.000 0.992 2305 S CB 2.579 65.810 63.200 0.052 0.000 1.026 2305 S HN 0.205 nan 8.310 nan 0.000 0.486 2306 L N 3.618 124.883 121.223 0.071 0.000 2.361 2306 L HA 0.331 4.671 4.340 0.000 0.000 0.278 2306 L C -0.083 176.769 176.870 -0.031 0.000 1.113 2306 L CA 0.011 54.863 54.840 0.021 0.000 0.849 2306 L CB 0.240 42.282 42.059 -0.027 0.000 1.155 2306 L HN 0.561 nan 8.230 nan 0.000 0.452 2307 D N 3.525 123.908 120.400 -0.028 0.000 2.390 2307 D HA 0.072 4.713 4.640 0.000 0.000 0.249 2307 D C 0.837 177.098 176.300 -0.064 0.000 1.144 2307 D CA 0.266 54.242 54.000 -0.041 0.000 0.880 2307 D CB 0.903 41.681 40.800 -0.036 0.000 1.182 2307 D HN 0.575 nan 8.370 nan 0.000 0.451 2308 L N 2.042 123.232 121.223 -0.055 0.000 2.253 2308 L HA 0.037 4.377 4.340 0.000 0.000 0.205 2308 L C 1.461 178.313 176.870 -0.031 0.000 1.078 2308 L CA 0.232 55.040 54.840 -0.053 0.000 0.805 2308 L CB -0.370 41.662 42.059 -0.045 0.000 0.963 2308 L HN 0.540 nan 8.230 nan 0.000 0.459 2309 Q N 0.432 120.218 119.800 -0.024 0.000 2.364 2309 Q HA 0.517 4.857 4.340 0.000 0.000 0.204 2309 Q C 0.452 176.443 176.000 -0.016 0.000 1.002 2309 Q CA 0.186 55.983 55.803 -0.008 0.000 1.012 2309 Q CB 0.922 29.657 28.738 -0.004 0.000 1.188 2309 Q HN 0.128 nan 8.270 nan 0.000 0.522 2310 G N 0.524 109.323 108.800 -0.001 0.000 2.645 2310 G HA2 -0.255 3.705 3.960 0.000 0.000 0.239 2310 G HA3 -0.255 3.705 3.960 0.000 0.000 0.239 2310 G C -1.053 173.842 174.900 -0.008 0.000 1.331 2310 G CA 0.064 45.161 45.100 -0.006 0.000 0.890 2310 G HN 0.825 nan 8.290 nan 0.000 0.572 2311 D N 0.883 121.266 120.400 -0.028 0.000 2.313 2311 D HA 0.452 5.092 4.640 0.000 0.000 0.239 2311 D C -1.000 175.193 176.300 -0.178 0.000 1.142 2311 D CA -1.679 52.288 54.000 -0.053 0.000 0.847 2311 D CB 1.417 42.198 40.800 -0.030 0.000 1.082 2311 D HN -0.009 nan 8.370 nan 0.000 0.480 2312 P HA -0.094 nan 4.420 nan 0.000 0.218 2312 P C 0.760 177.816 177.300 -0.407 0.000 1.146 2312 P CA 1.007 63.791 63.100 -0.526 0.000 0.813 2312 P CB 0.248 31.240 31.700 -1.180 0.000 0.778 2313 R N -0.653 119.555 120.500 -0.488 0.000 2.313 2313 R HA 0.065 4.405 4.340 0.000 0.000 0.199 2313 R C 1.261 177.498 176.300 -0.103 0.000 0.958 2313 R CA 0.558 56.456 56.100 -0.337 0.000 1.047 2313 R CB -0.136 29.888 30.300 -0.461 0.000 0.955 2313 R HN 0.349 nan 8.270 nan 0.000 0.481 2314 E N -0.566 119.580 120.200 -0.091 0.000 2.601 2314 E HA 0.119 4.469 4.350 0.000 0.000 0.219 2314 E C -0.407 176.185 176.600 -0.013 0.000 0.964 2314 E CA -0.073 56.305 56.400 -0.036 0.000 1.050 2314 E CB 1.104 30.782 29.700 -0.036 0.000 1.068 2314 E HN -0.021 nan 8.360 nan 0.000 0.496 2315 S N 2.413 118.099 115.700 -0.023 0.000 3.530 2315 S HA 0.074 4.544 4.470 0.000 0.000 0.279 2315 S C -0.018 174.610 174.600 0.046 0.000 1.280 2315 S CA -0.218 57.984 58.200 0.004 0.000 0.946 2315 S CB 0.039 63.226 63.200 -0.022 0.000 1.501 2315 S HN 0.161 nan 8.310 nan 0.000 0.498 2316 Q N 3.692 123.541 119.800 0.082 0.000 2.239 2316 Q HA 0.112 4.452 4.340 0.000 0.000 0.286 2316 Q C -1.836 174.269 176.000 0.175 0.000 1.102 2316 Q CA -1.012 54.858 55.803 0.112 0.000 0.936 2316 Q CB 0.493 29.325 28.738 0.157 0.000 1.127 2316 Q HN 0.214 nan 8.270 nan 0.000 0.380 2317 P HA -0.052 nan 4.420 nan 0.000 0.210 2317 P C -1.052 176.280 177.300 0.053 0.000 1.189 2317 P CA 1.119 64.262 63.100 0.072 0.000 0.920 2317 P CB 0.163 31.852 31.700 -0.018 0.000 0.782 2318 L N -6.240 114.880 121.223 -0.171 0.000 2.847 2318 L HA 0.348 4.688 4.340 0.000 0.000 0.261 2318 L C -0.799 175.815 176.870 -0.427 0.000 0.926 2318 L CA -0.737 53.821 54.840 -0.469 0.000 1.010 2318 L CB -0.381 41.535 42.059 -0.238 0.000 1.538 2318 L HN -0.273 nan 8.230 nan 0.000 0.465 2319 L N 2.524 123.414 121.223 -0.554 0.000 2.654 2319 L HA 0.381 4.721 4.340 0.000 0.000 0.309 2319 L C 1.209 177.911 176.870 -0.280 0.000 1.267 2319 L CA 1.911 56.586 54.840 -0.275 0.000 0.866 2319 L CB -0.209 41.778 42.059 -0.119 0.000 1.108 2319 L HN 1.073 nan 8.230 nan 0.000 0.516 2320 G N 0.573 109.234 108.800 -0.231 0.000 2.753 2320 G HA2 0.378 4.338 3.960 0.000 0.000 0.303 2320 G HA3 0.378 4.338 3.960 0.000 0.000 0.303 2320 G C -1.128 173.654 174.900 -0.197 0.000 1.242 2320 G CA -0.542 44.312 45.100 -0.411 0.000 0.810 2320 G HN 0.420 nan 8.290 nan 0.000 0.515 2321 T N 0.774 115.249 114.554 -0.132 0.000 2.902 2321 T HA 0.433 4.783 4.350 0.000 0.000 0.301 2321 T C 0.661 175.353 174.700 -0.014 0.000 1.012 2321 T CA 0.504 62.654 62.100 0.083 0.000 1.151 2321 T CB 0.744 69.643 68.868 0.052 0.000 0.946 2321 T HN 1.326 nan 8.240 nan 0.000 0.542 2322 V N 0.461 120.370 119.914 -0.009 0.000 3.164 2322 V HA 0.628 4.748 4.120 0.000 0.000 0.313 2322 V C -0.402 175.643 176.094 -0.081 0.000 1.188 2322 V CA -1.274 60.987 62.300 -0.066 0.000 1.058 2322 V CB 1.708 33.478 31.823 -0.088 0.000 1.110 2322 V HN 0.598 nan 8.190 nan 0.000 0.453 2323 I N 3.110 123.628 120.570 -0.088 0.000 2.318 2323 I HA 0.246 4.417 4.170 0.000 0.000 0.285 2323 I C 0.996 177.061 176.117 -0.087 0.000 1.127 2323 I CA -0.097 61.150 61.300 -0.088 0.000 1.243 2323 I CB -0.398 37.554 38.000 -0.080 0.000 1.498 2323 I HN 0.941 nan 8.210 nan 0.000 0.535 2324 D N 2.928 123.268 120.400 -0.099 0.000 2.218 2324 D HA -0.137 4.503 4.640 0.000 0.000 0.204 2324 D C 1.545 177.802 176.300 -0.071 0.000 0.976 2324 D CA 1.324 55.263 54.000 -0.103 0.000 0.853 2324 D CB 0.189 40.905 40.800 -0.141 0.000 0.939 2324 D HN 0.625 nan 8.370 nan 0.000 0.481 2325 G N -0.609 108.153 108.800 -0.063 0.000 2.194 2325 G HA2 -0.280 3.680 3.960 0.000 0.000 0.236 2325 G HA3 -0.280 3.680 3.960 0.000 0.000 0.236 2325 G C 0.976 175.857 174.900 -0.032 0.000 0.987 2325 G CA 0.580 45.653 45.100 -0.045 0.000 0.635 2325 G HN 0.263 nan 8.290 nan 0.000 0.520 2326 M N -1.142 118.438 119.600 -0.033 0.000 2.940 2326 M HA 0.441 4.921 4.480 0.000 0.000 0.248 2326 M C 2.310 178.603 176.300 -0.011 0.000 1.379 2326 M CA 1.125 56.419 55.300 -0.009 0.000 1.262 2326 M CB -1.120 31.483 32.600 0.005 0.000 1.201 2326 M HN 0.236 nan 8.290 nan 0.000 0.553 2327 L N 0.535 121.740 121.223 -0.030 0.000 2.068 2327 L HA 0.174 4.515 4.340 0.000 0.000 0.204 2327 L C 0.285 177.111 176.870 -0.074 0.000 1.076 2327 L CA 1.251 56.068 54.840 -0.038 0.000 0.753 2327 L CB 0.274 42.304 42.059 -0.049 0.000 0.910 2327 L HN 0.101 nan 8.230 nan 0.000 0.439 2328 L N 0.105 121.273 121.223 -0.092 0.000 2.349 2328 L HA 0.247 4.587 4.340 0.000 0.000 0.278 2328 L C 0.410 177.224 176.870 -0.093 0.000 0.996 2328 L CA -0.407 54.365 54.840 -0.114 0.000 0.825 2328 L CB 1.899 43.878 42.059 -0.133 0.000 1.243 2328 L HN 0.098 nan 8.230 nan 0.000 0.412 2329 L N 2.828 123.994 121.223 -0.094 0.000 2.395 2329 L HA 0.050 4.390 4.340 0.000 0.000 0.218 2329 L C 0.523 177.348 176.870 -0.074 0.000 1.130 2329 L CA 0.894 55.690 54.840 -0.074 0.000 0.826 2329 L CB -0.388 41.630 42.059 -0.069 0.000 0.941 2329 L HN 0.649 nan 8.230 nan 0.000 0.451 2330 K N -2.106 118.241 120.400 -0.088 0.000 2.735 2330 K HA 0.278 4.598 4.320 0.000 0.000 0.295 2330 K C -0.507 176.039 176.600 -0.089 0.000 1.052 2330 K CA -0.757 55.482 56.287 -0.079 0.000 0.853 2330 K CB 0.422 32.881 32.500 -0.068 0.000 1.535 2330 K HN -0.149 nan 8.250 nan 0.000 0.383 2331 T N -1.501 113.005 114.554 -0.079 0.000 2.939 2331 T HA 0.061 4.411 4.350 0.000 0.000 0.319 2331 T C -1.805 172.844 174.700 -0.085 0.000 1.082 2331 T CA -0.552 61.499 62.100 -0.081 0.000 1.133 2331 T CB 0.218 69.044 68.868 -0.071 0.000 1.019 2331 T HN 0.323 nan 8.240 nan 0.000 0.548 2332 P HA -0.150 nan 4.420 nan 0.000 0.216 2332 P C 1.423 178.687 177.300 -0.060 0.000 1.157 2332 P CA 1.350 64.400 63.100 -0.083 0.000 0.880 2332 P CB 0.021 31.672 31.700 -0.081 0.000 0.791 2333 E N 0.017 120.186 120.200 -0.051 0.000 2.065 2333 E HA -0.234 4.117 4.350 0.000 0.000 0.201 2333 E C 1.922 178.502 176.600 -0.032 0.000 1.016 2333 E CA 1.621 58.001 56.400 -0.033 0.000 0.818 2333 E CB -1.044 28.637 29.700 -0.031 0.000 0.749 2333 E HN 0.467 nan 8.360 nan 0.000 0.453 2334 E N 0.427 120.601 120.200 -0.043 0.000 2.051 2334 E HA -0.170 4.180 4.350 0.000 0.000 0.192 2334 E C 2.265 178.835 176.600 -0.050 0.000 0.991 2334 E CA 1.032 57.407 56.400 -0.041 0.000 0.799 2334 E CB -0.294 29.377 29.700 -0.048 0.000 0.748 2334 E HN 0.197 nan 8.360 nan 0.000 0.449 2335 L N 1.341 122.521 121.223 -0.073 0.000 1.989 2335 L HA -0.268 4.072 4.340 0.000 0.000 0.211 2335 L C 2.880 179.707 176.870 -0.071 0.000 1.071 2335 L CA 1.776 56.555 54.840 -0.102 0.000 0.749 2335 L CB -0.793 41.175 42.059 -0.152 0.000 0.890 2335 L HN 0.238 nan 8.230 nan 0.000 0.431 2336 Q N 0.340 120.116 119.800 -0.040 0.000 2.439 2336 Q HA -0.107 4.233 4.340 0.000 0.000 0.211 2336 Q C 1.577 177.585 176.000 0.012 0.000 0.978 2336 Q CA 1.157 56.962 55.803 0.004 0.000 0.897 2336 Q CB -0.317 28.439 28.738 0.029 0.000 0.956 2336 Q HN 0.445 nan 8.270 nan 0.000 0.483 2337 A N 1.350 124.168 122.820 -0.003 0.000 2.310 2337 A HA 0.020 4.340 4.320 0.000 0.000 0.230 2337 A C 0.161 177.748 177.584 0.004 0.000 1.294 2337 A CA -0.005 52.035 52.037 0.004 0.000 0.898 2337 A CB -0.075 18.924 19.000 -0.002 0.000 0.917 2337 A HN 0.418 nan 8.150 nan 0.000 0.491 2338 E N -0.451 119.753 120.200 0.007 0.000 2.314 2338 E HA 0.478 4.828 4.350 0.000 0.000 0.272 2338 E C -0.966 175.656 176.600 0.037 0.000 0.884 2338 E CA -0.747 55.663 56.400 0.016 0.000 0.753 2338 E CB 1.160 30.864 29.700 0.007 0.000 1.213 2338 E HN 0.078 nan 8.360 nan 0.000 0.432 2339 R N 2.104 122.628 120.500 0.041 0.000 2.633 2339 R HA 0.291 4.631 4.340 0.000 0.000 0.348 2339 R C -0.735 175.603 176.300 0.063 0.000 1.100 2339 R CA -0.055 56.072 56.100 0.045 0.000 1.068 2339 R CB -0.028 30.286 30.300 0.023 0.000 1.351 2339 R HN 0.312 nan 8.270 nan 0.000 0.575 2340 N N 0.446 119.202 118.700 0.093 0.000 2.990 2340 N HA 0.292 5.032 4.740 0.000 0.000 0.288 2340 N C -1.407 174.237 175.510 0.224 0.000 1.624 2340 N CA -0.256 52.858 53.050 0.107 0.000 0.961 2340 N CB 0.492 39.024 38.487 0.076 0.000 1.259 2340 N HN 0.010 nan 8.380 nan 0.000 0.489 2341 F N -0.614 119.339 119.950 0.006 0.000 2.817 2341 F HA 0.285 4.812 4.527 0.000 0.000 0.317 2341 F C -0.879 174.957 175.800 0.060 0.000 1.168 2341 F CA -1.040 56.974 58.000 0.024 0.000 0.911 2341 F CB 1.134 40.145 39.000 0.019 0.000 1.337 2341 F HN 0.137 nan 8.300 nan 0.000 0.464 2342 H N 1.647 120.159 119.070 -0.931 0.000 2.899 2342 H HA 0.430 4.986 4.556 0.000 0.000 0.303 2342 H C -0.696 174.496 175.328 -0.226 0.000 1.042 2342 H CA 0.309 56.012 56.048 -0.575 0.000 1.479 2342 H CB 0.688 29.994 29.762 -0.760 0.000 1.493 2342 H HN 0.637 nan 8.280 nan 0.000 0.534 2343 T N 2.592 117.128 114.554 -0.029 0.000 2.888 2343 T HA 0.532 4.883 4.350 0.000 0.000 0.284 2343 T C -0.057 174.567 174.700 -0.127 0.000 1.017 2343 T CA -0.690 61.371 62.100 -0.065 0.000 1.022 2343 T CB 1.690 70.522 68.868 -0.060 0.000 1.013 2343 T HN 0.436 nan 8.240 nan 0.000 0.465 2344 V N -1.687 118.221 119.914 -0.011 0.000 3.159 2344 V HA 0.761 4.881 4.120 0.000 0.000 0.308 2344 V C -3.274 172.971 176.094 0.250 0.000 1.190 2344 V CA -3.328 58.973 62.300 0.001 0.000 1.037 2344 V CB 1.412 33.124 31.823 -0.185 0.000 1.060 2344 V HN 0.655 nan 8.190 nan 0.000 0.437 2345 P HA 0.162 nan 4.420 nan 0.000 0.263 2345 P C -1.455 176.176 177.300 0.551 0.000 1.195 2345 P CA 0.705 64.017 63.100 0.354 0.000 0.762 2345 P CB -0.211 31.504 31.700 0.026 0.000 0.799 2346 Y N 3.757 124.254 120.300 0.329 0.000 2.361 2346 Y HA 0.530 5.080 4.550 0.000 0.000 0.337 2346 Y C -0.527 175.340 175.900 -0.056 0.000 0.965 2346 Y CA -1.444 56.655 58.100 -0.003 0.000 1.091 2346 Y CB 1.492 39.487 38.460 -0.775 0.000 1.182 2346 Y HN 0.193 nan 8.280 nan 0.000 0.450 2347 M N 7.900 127.427 119.600 -0.122 0.000 2.078 2347 M HA 0.460 4.941 4.480 0.000 0.000 0.320 2347 M C -2.162 173.847 176.300 -0.485 0.000 0.969 2347 M CA -0.738 54.256 55.300 -0.510 0.000 0.929 2347 M CB 0.859 32.820 32.600 -1.065 0.000 1.504 2347 M HN 0.416 nan 8.290 nan 0.000 0.419 2348 V N 4.569 124.158 119.914 -0.542 0.000 2.409 2348 V HA 0.862 4.983 4.120 0.000 0.000 0.291 2348 V C 0.344 176.127 176.094 -0.519 0.000 1.020 2348 V CA -0.548 61.428 62.300 -0.540 0.000 0.848 2348 V CB 1.342 32.767 31.823 -0.663 0.000 0.990 2348 V HN 0.980 nan 8.190 nan 0.000 0.430 2349 G N 4.019 112.446 108.800 -0.621 0.000 2.680 2349 G HA2 0.907 4.867 3.960 0.000 0.000 0.290 2349 G HA3 0.907 4.867 3.960 0.000 0.000 0.290 2349 G C -1.147 173.379 174.900 -0.623 0.000 1.355 2349 G CA -0.692 43.666 45.100 -1.238 0.000 0.903 2349 G HN 0.882 nan 8.290 nan 0.000 0.474 2350 I N -2.642 117.650 120.570 -0.463 0.000 3.264 2350 I HA 0.685 4.855 4.170 0.000 0.000 0.315 2350 I C -1.419 174.764 176.117 0.110 0.000 1.154 2350 I CA -1.423 59.823 61.300 -0.090 0.000 0.962 2350 I CB 2.484 40.453 38.000 -0.053 0.000 1.265 2350 I HN 0.253 nan 8.210 nan 0.000 0.463 2351 N N 1.352 120.136 118.700 0.139 0.000 2.384 2351 N HA 0.342 5.082 4.740 0.000 0.000 0.301 2351 N C 0.187 175.802 175.510 0.175 0.000 1.133 2351 N CA -0.814 52.384 53.050 0.245 0.000 0.853 2351 N CB 1.858 40.498 38.487 0.255 0.000 1.241 2351 N HN 0.593 nan 8.380 nan 0.000 0.502 2352 K N 0.603 121.116 120.400 0.189 0.000 2.059 2352 K HA -0.138 4.182 4.320 0.000 0.000 0.212 2352 K C -0.214 176.464 176.600 0.131 0.000 1.050 2352 K CA 1.861 58.230 56.287 0.138 0.000 0.927 2352 K CB 0.059 32.629 32.500 0.116 0.000 0.714 2352 K HN 0.605 nan 8.250 nan 0.000 0.447 2353 Q N 0.183 120.070 119.800 0.144 0.000 2.798 2353 Q HA 0.126 4.466 4.340 0.000 0.000 0.250 2353 Q C -0.193 175.895 176.000 0.147 0.000 1.006 2353 Q CA -0.371 55.519 55.803 0.145 0.000 0.759 2353 Q CB 1.562 30.384 28.738 0.140 0.000 1.201 2353 Q HN 0.106 nan 8.270 nan 0.000 0.486 2354 E N 0.565 120.833 120.200 0.113 0.000 2.118 2354 E HA -0.149 4.201 4.350 0.000 0.000 0.195 2354 E C 0.389 177.055 176.600 0.109 0.000 0.992 2354 E CA 1.220 57.625 56.400 0.009 0.000 0.804 2354 E CB 0.161 29.712 29.700 -0.248 0.000 0.741 2354 E HN 0.494 nan 8.360 nan 0.000 0.458 2355 F N 0.424 120.374 119.950 -0.001 0.000 2.819 2355 F HA 0.257 4.785 4.527 0.000 0.000 0.294 2355 F C 1.637 177.444 175.800 0.011 0.000 1.166 2355 F CA -0.339 57.641 58.000 -0.033 0.000 1.374 2355 F CB 0.374 39.325 39.000 -0.082 0.000 0.956 2355 F HN -0.060 nan 8.300 nan 0.000 0.509 2356 G N 0.522 109.363 108.800 0.068 0.000 2.453 2356 G HA2 -0.304 3.657 3.960 0.000 0.000 0.215 2356 G HA3 -0.304 3.657 3.960 0.000 0.000 0.215 2356 G C 1.044 176.010 174.900 0.111 0.000 1.201 2356 G CA 1.453 46.615 45.100 0.103 0.000 0.784 2356 G HN 0.643 nan 8.290 nan 0.000 0.545 2357 W N -1.340 119.891 121.300 -0.116 0.000 5.194 2357 W HA 0.335 4.995 4.660 0.000 0.000 0.169 2357 W C 1.762 178.200 176.519 -0.135 0.000 1.110 2357 W CA 0.162 57.437 57.345 -0.117 0.000 1.861 2357 W CB -0.529 28.913 29.460 -0.031 0.000 0.573 2357 W HN 0.073 nan 8.180 nan 0.000 1.069 2358 L N 2.134 123.260 121.223 -0.161 0.000 1.952 2358 L HA -0.246 4.094 4.340 0.000 0.000 0.231 2358 L C 2.249 178.850 176.870 -0.447 0.000 1.088 2358 L CA 3.105 57.729 54.840 -0.360 0.000 0.802 2358 L CB -1.362 40.773 42.059 0.126 0.000 0.903 2358 L HN 0.206 nan 8.230 nan 0.000 0.439 2359 I N -0.760 119.636 120.570 -0.290 0.000 2.118 2359 I HA -0.273 3.897 4.170 0.000 0.000 0.241 2359 I C -0.273 175.570 176.117 -0.456 0.000 1.070 2359 I CA 1.693 62.829 61.300 -0.274 0.000 1.327 2359 I CB -1.801 36.129 38.000 -0.116 0.000 1.034 2359 I HN 0.305 nan 8.210 nan 0.000 0.405 2360 P HA -0.206 nan 4.420 nan 0.000 0.216 2360 P C 1.154 178.239 177.300 -0.359 0.000 1.157 2360 P CA 1.317 63.893 63.100 -0.873 0.000 0.880 2360 P CB -0.092 30.977 31.700 -1.051 0.000 0.791 2364 M N 0.734 120.341 119.600 0.013 0.000 2.700 2364 M HA 0.003 4.483 4.480 0.000 0.000 0.249 2364 M C 0.334 176.718 176.300 0.140 0.000 1.082 2364 M CA 0.760 56.139 55.300 0.131 0.000 1.077 2364 M CB -0.178 32.594 32.600 0.286 0.000 1.477 2364 M HN 0.358 nan 8.290 nan 0.000 0.529 2365 S N -0.490 115.260 115.700 0.083 0.000 3.783 2365 S HA -0.169 4.301 4.470 0.000 0.000 0.360 2365 S C -0.311 174.364 174.600 0.125 0.000 1.006 2365 S CA 0.112 58.354 58.200 0.070 0.000 1.115 2365 S CB -2.225 60.998 63.200 0.037 0.000 0.893 2365 S HN 0.450 nan 8.310 nan 0.000 0.475 2366 Y N 1.248 121.555 120.300 0.011 0.000 2.578 2366 Y HA 0.211 4.761 4.550 0.000 0.000 0.339 2366 Y C -0.901 175.038 175.900 0.064 0.000 1.231 2366 Y CA -0.922 57.220 58.100 0.070 0.000 1.461 2366 Y CB 0.241 38.764 38.460 0.106 0.000 1.323 2366 Y HN 0.071 nan 8.280 nan 0.000 0.590 2367 P HA -0.052 nan 4.420 nan 0.000 0.239 2367 P C 0.824 178.189 177.300 0.108 0.000 1.184 2367 P CA 0.946 64.077 63.100 0.052 0.000 0.760 2367 P CB 0.061 31.750 31.700 -0.018 0.000 0.884 2368 L N -1.270 120.073 121.223 0.200 0.000 2.651 2368 L HA -0.117 4.223 4.340 0.000 0.000 0.236 2368 L C 1.722 178.668 176.870 0.126 0.000 1.173 2368 L CA 0.549 55.499 54.840 0.182 0.000 0.843 2368 L CB -1.229 40.981 42.059 0.250 0.000 0.964 2368 L HN 0.006 nan 8.230 nan 0.000 0.454 2369 S N -0.061 115.702 115.700 0.104 0.000 2.461 2369 S HA -0.206 4.264 4.470 0.000 0.000 0.249 2369 S C 1.824 176.466 174.600 0.070 0.000 1.012 2369 S CA 1.255 59.504 58.200 0.083 0.000 0.982 2369 S CB -0.195 63.044 63.200 0.065 0.000 0.764 2369 S HN 0.524 nan 8.310 nan 0.000 0.506 2370 E N -0.034 120.204 120.200 0.064 0.000 2.107 2370 E HA 0.035 4.385 4.350 0.000 0.000 0.191 2370 E C 1.976 178.608 176.600 0.055 0.000 0.982 2370 E CA 0.959 57.390 56.400 0.051 0.000 0.809 2370 E CB -0.308 29.416 29.700 0.041 0.000 0.756 2370 E HN 0.612 nan 8.360 nan 0.000 0.459 2371 G N 0.624 109.466 108.800 0.069 0.000 2.307 2371 G HA2 -0.185 3.775 3.960 0.000 0.000 0.210 2371 G HA3 -0.185 3.775 3.960 0.000 0.000 0.210 2371 G C 0.357 175.300 174.900 0.072 0.000 1.005 2371 G CA 0.377 45.519 45.100 0.070 0.000 0.634 2371 G HN 0.282 nan 8.290 nan 0.000 0.496 2372 Q N -0.338 119.500 119.800 0.062 0.000 2.683 2372 Q HA 0.909 5.249 4.340 0.000 0.000 0.302 2372 Q C -1.619 174.407 176.000 0.044 0.000 1.042 2372 Q CA -1.114 54.724 55.803 0.059 0.000 0.773 2372 Q CB 2.134 30.899 28.738 0.045 0.000 1.508 2372 Q HN 0.922 nan 8.270 nan 0.000 0.459 2373 L N 1.028 122.271 121.223 0.033 0.000 2.556 2373 L HA 0.477 4.817 4.340 0.000 0.000 0.257 2373 L C -2.037 174.830 176.870 -0.006 0.000 0.955 2373 L CA -0.170 54.664 54.840 -0.010 0.000 0.850 2373 L CB 2.241 44.265 42.059 -0.058 0.000 1.398 2373 L HN 0.906 nan 8.230 nan 0.000 0.412 2374 D N 2.482 122.868 120.400 -0.024 0.000 2.350 2374 D HA 0.233 4.873 4.640 0.000 0.000 0.238 2374 D C 0.035 176.327 176.300 -0.012 0.000 0.989 2374 D CA -0.497 53.499 54.000 -0.005 0.000 0.921 2374 D CB 1.441 42.241 40.800 -0.000 0.000 1.297 2374 D HN 0.507 nan 8.370 nan 0.000 0.490 2375 Q N 0.857 120.665 119.800 0.014 0.000 2.156 2375 Q HA -0.230 4.110 4.340 0.000 0.000 0.211 2375 Q C 1.673 177.682 176.000 0.015 0.000 0.995 2375 Q CA 1.893 57.712 55.803 0.027 0.000 0.877 2375 Q CB -0.228 28.531 28.738 0.035 0.000 0.920 2375 Q HN 0.587 nan 8.270 nan 0.000 0.416 2376 K N -0.479 119.925 120.400 0.006 0.000 2.001 2376 K HA -0.060 4.260 4.320 0.000 0.000 0.208 2376 K C 2.214 178.810 176.600 -0.007 0.000 1.048 2376 K CA 1.611 57.901 56.287 0.004 0.000 0.932 2376 K CB -0.195 32.307 32.500 0.003 0.000 0.715 2376 K HN 0.131 nan 8.250 nan 0.000 0.437 2377 T N 1.174 115.711 114.554 -0.029 0.000 2.962 2377 T HA -0.076 4.274 4.350 0.000 0.000 0.270 2377 T C 1.872 176.503 174.700 -0.115 0.000 1.088 2377 T CA 1.036 63.105 62.100 -0.051 0.000 1.127 2377 T CB -0.172 68.661 68.868 -0.059 0.000 0.883 2377 T HN 0.309 nan 8.240 nan 0.000 0.493 2378 A N 2.002 124.733 122.820 -0.149 0.000 1.845 2378 A HA -0.034 4.286 4.320 0.000 0.000 0.215 2378 A C 2.304 179.863 177.584 -0.041 0.000 1.195 2378 A CA 1.418 53.288 52.037 -0.279 0.000 0.616 2378 A CB -0.731 18.193 19.000 -0.126 0.000 0.832 2378 A HN 0.424 nan 8.150 nan 0.000 0.443 2379 M N -0.263 119.376 119.600 0.065 0.000 2.267 2379 M HA -0.146 4.334 4.480 0.000 0.000 0.263 2379 M C 2.444 178.849 176.300 0.176 0.000 1.063 2379 M CA 1.571 56.957 55.300 0.144 0.000 1.090 2379 M CB -0.374 32.282 32.600 0.093 0.000 1.392 2379 M HN 0.596 nan 8.290 nan 0.000 0.422 2380 S N 0.935 116.703 115.700 0.114 0.000 2.335 2380 S HA -0.072 4.398 4.470 0.000 0.000 0.217 2380 S C 1.795 176.519 174.600 0.206 0.000 1.032 2380 S CA 0.937 59.228 58.200 0.152 0.000 0.985 2380 S CB -0.185 63.059 63.200 0.072 0.000 0.896 2380 S HN 0.432 nan 8.310 nan 0.000 0.445 2381 L N 0.859 122.153 121.223 0.118 0.000 2.042 2381 L HA -0.100 4.241 4.340 0.000 0.000 0.210 2381 L C 2.542 179.639 176.870 0.378 0.000 1.076 2381 L CA 1.104 56.047 54.840 0.173 0.000 0.749 2381 L CB -0.485 41.624 42.059 0.083 0.000 0.893 2381 L HN 0.375 nan 8.230 nan 0.000 0.432 2382 L N -0.728 120.795 121.223 0.500 0.000 2.127 2382 L HA -0.278 4.062 4.340 0.000 0.000 0.211 2382 L C 2.117 179.246 176.870 0.433 0.000 1.089 2382 L CA 1.781 56.932 54.840 0.518 0.000 0.757 2382 L CB -0.641 41.735 42.059 0.528 0.000 0.899 2382 L HN 0.370 nan 8.230 nan 0.000 0.434 2383 W N 0.591 122.009 121.300 0.198 0.000 2.408 2383 W HA -0.235 4.425 4.660 0.000 0.000 0.311 2383 W C 2.122 178.738 176.519 0.160 0.000 1.190 2383 W CA 1.282 58.727 57.345 0.166 0.000 1.321 2383 W CB 0.010 29.529 29.460 0.099 0.000 1.143 2383 W HN 0.075 nan 8.180 nan 0.000 0.501 2384 K N 0.422 120.832 120.400 0.017 0.000 2.360 2384 K HA -0.089 4.232 4.320 0.000 0.000 0.201 2384 K C 1.568 178.117 176.600 -0.083 0.000 1.046 2384 K CA 1.339 57.536 56.287 -0.151 0.000 0.945 2384 K CB -0.274 32.189 32.500 -0.061 0.000 0.750 2384 K HN -0.089 nan 8.250 nan 0.000 0.464 2385 S N 0.508 116.234 115.700 0.044 0.000 2.710 2385 S HA 0.009 4.480 4.470 0.000 0.000 0.224 2385 S C 0.872 175.478 174.600 0.010 0.000 0.948 2385 S CA -0.329 57.920 58.200 0.081 0.000 0.949 2385 S CB -0.287 63.038 63.200 0.208 0.000 0.778 2385 S HN 0.308 nan 8.310 nan 0.000 0.498 2386 Y N 3.975 124.164 120.300 -0.185 0.000 2.114 2386 Y HA -0.125 4.425 4.550 0.000 0.000 0.282 2386 Y C -0.841 174.957 175.900 -0.170 0.000 1.165 2386 Y CA 1.592 59.556 58.100 -0.227 0.000 1.148 2386 Y CB -1.050 37.110 38.460 -0.500 0.000 0.972 2386 Y HN 0.247 nan 8.280 nan 0.000 0.504 2387 P HA -0.139 nan 4.420 nan 0.000 0.236 2387 P C 0.910 178.111 177.300 -0.165 0.000 1.172 2387 P CA 1.516 64.552 63.100 -0.107 0.000 0.759 2387 P CB -0.038 31.651 31.700 -0.017 0.000 0.843 2388 L N -1.146 119.964 121.223 -0.188 0.000 2.547 2388 L HA 0.064 4.404 4.340 0.000 0.000 0.218 2388 L C 2.325 179.016 176.870 -0.299 0.000 1.048 2388 L CA 0.428 55.140 54.840 -0.215 0.000 0.859 2388 L CB 0.017 41.977 42.059 -0.166 0.000 1.128 2388 L HN -0.193 nan 8.230 nan 0.000 0.483 2389 V N -5.746 113.990 119.914 -0.298 0.000 3.523 2389 V HA 0.139 4.259 4.120 0.000 0.000 0.255 2389 V C 1.062 176.982 176.094 -0.291 0.000 1.226 2389 V CA -0.505 61.625 62.300 -0.283 0.000 1.092 2389 V CB -0.060 31.628 31.823 -0.225 0.000 0.817 2389 V HN 0.438 nan 8.190 nan 0.000 0.458 2390 C N 1.665 120.632 119.300 -0.555 0.000 3.896 2390 C HA -0.158 4.302 4.460 0.000 0.000 0.300 2390 C C 0.419 175.108 174.990 -0.502 0.000 1.322 2390 C CA 0.140 58.591 59.018 -0.946 0.000 2.130 2390 C CB -2.895 24.436 27.740 -0.683 0.000 1.363 2390 C HN 0.651 nan 8.230 nan 0.000 0.642 2391 I N 1.289 121.797 120.570 -0.103 0.000 2.330 2391 I HA 0.486 4.656 4.170 0.000 0.000 0.289 2391 I C 0.988 177.428 176.117 0.539 0.000 1.001 2391 I CA -0.066 61.405 61.300 0.285 0.000 1.193 2391 I CB 1.142 39.398 38.000 0.428 0.000 1.345 2391 I HN 0.547 nan 8.210 nan 0.000 0.461 2392 A N 5.831 128.899 122.820 0.413 0.000 2.587 2392 A HA -0.054 4.266 4.320 0.000 0.000 0.233 2392 A C 1.458 179.232 177.584 0.318 0.000 1.049 2392 A CA 0.182 52.457 52.037 0.397 0.000 0.754 2392 A CB 0.129 19.247 19.000 0.197 0.000 0.977 2392 A HN 0.922 nan 8.150 nan 0.000 0.509 2393 K N 0.756 121.209 120.400 0.088 0.000 2.280 2393 K HA -0.171 4.149 4.320 0.000 0.000 0.202 2393 K C 1.640 178.139 176.600 -0.169 0.000 1.047 2393 K CA 1.807 57.865 56.287 -0.382 0.000 0.942 2393 K CB -0.025 31.758 32.500 -1.195 0.000 0.739 2393 K HN 0.900 nan 8.250 nan 0.000 0.457 2394 E N 0.141 120.306 120.200 -0.058 0.000 2.285 2394 E HA -0.141 4.209 4.350 0.000 0.000 0.194 2394 E C 1.633 178.255 176.600 0.037 0.000 0.997 2394 E CA 0.613 56.999 56.400 -0.024 0.000 0.845 2394 E CB -0.061 29.633 29.700 -0.009 0.000 0.782 2394 E HN 0.334 nan 8.360 nan 0.000 0.491 2395 L N 0.548 121.832 121.223 0.101 0.000 2.416 2395 L HA 0.023 4.363 4.340 0.000 0.000 0.216 2395 L C 2.316 179.293 176.870 0.178 0.000 1.098 2395 L CA -0.183 54.746 54.840 0.148 0.000 0.840 2395 L CB -0.209 41.987 42.059 0.229 0.000 0.981 2395 L HN 0.076 nan 8.230 nan 0.000 0.462 2396 I N 0.902 121.584 120.570 0.186 0.000 2.113 2396 I HA -0.246 3.924 4.170 0.000 0.000 0.242 2396 I C 0.027 176.245 176.117 0.168 0.000 1.057 2396 I CA 2.231 63.658 61.300 0.212 0.000 1.314 2396 I CB -2.395 35.709 38.000 0.173 0.000 1.022 2396 I HN 0.173 nan 8.210 nan 0.000 0.408 2397 P HA -0.192 nan 4.420 nan 0.000 0.213 2397 P C 1.790 179.154 177.300 0.108 0.000 1.170 2397 P CA 1.589 64.742 63.100 0.088 0.000 0.902 2397 P CB -0.044 31.686 31.700 0.049 0.000 0.789 2398 E N -0.638 119.627 120.200 0.108 0.000 2.049 2398 E HA -0.261 4.089 4.350 0.000 0.000 0.198 2398 E C 1.970 178.677 176.600 0.178 0.000 1.007 2398 E CA 1.491 57.966 56.400 0.126 0.000 0.809 2398 E CB -0.621 29.145 29.700 0.110 0.000 0.749 2398 E HN 0.039 nan 8.360 nan 0.000 0.450 2399 A N 0.229 123.166 122.820 0.195 0.000 1.865 2399 A HA -0.231 4.089 4.320 0.000 0.000 0.217 2399 A C 2.417 180.113 177.584 0.187 0.000 1.191 2399 A CA 2.396 54.545 52.037 0.187 0.000 0.623 2399 A CB -1.212 17.952 19.000 0.274 0.000 0.826 2399 A HN 0.384 nan 8.150 nan 0.000 0.444 2400 T N -0.359 114.320 114.554 0.209 0.000 2.665 2400 T HA -0.195 4.155 4.350 0.000 0.000 0.268 2400 T C 1.903 176.711 174.700 0.179 0.000 1.035 2400 T CA 1.838 64.070 62.100 0.220 0.000 1.151 2400 T CB -0.321 68.663 68.868 0.192 0.000 0.862 2400 T HN 0.603 nan 8.240 nan 0.000 0.438 2401 E N 1.350 121.625 120.200 0.124 0.000 2.077 2401 E HA -0.131 4.220 4.350 0.000 0.000 0.193 2401 E C 2.080 178.702 176.600 0.038 0.000 0.989 2401 E CA 1.351 57.797 56.400 0.077 0.000 0.800 2401 E CB -0.288 29.446 29.700 0.057 0.000 0.746 2401 E HN 0.280 nan 8.360 nan 0.000 0.452 2402 K N -1.147 119.253 120.400 0.001 0.000 2.211 2402 K HA -0.139 4.182 4.320 0.000 0.000 0.204 2402 K C 1.418 177.937 176.600 -0.135 0.000 1.047 2402 K CA 1.357 57.529 56.287 -0.191 0.000 0.935 2402 K CB -0.327 31.798 32.500 -0.624 0.000 0.728 2402 K HN 0.247 nan 8.250 nan 0.000 0.452 2403 Y N -0.858 119.368 120.300 -0.123 0.000 2.382 2403 Y HA 0.228 4.778 4.550 0.000 0.000 0.292 2403 Y C 1.559 177.477 175.900 0.030 0.000 1.151 2403 Y CA 0.573 58.654 58.100 -0.030 0.000 1.198 2403 Y CB 0.232 38.731 38.460 0.066 0.000 1.195 2403 Y HN -0.142 nan 8.280 nan 0.000 0.530 2404 L N -1.093 120.268 121.223 0.230 0.000 2.509 2404 L HA 0.185 4.525 4.340 0.000 0.000 0.222 2404 L C 2.200 179.122 176.870 0.088 0.000 1.123 2404 L CA 0.686 55.623 54.840 0.162 0.000 0.856 2404 L CB -0.735 41.433 42.059 0.183 0.000 0.985 2404 L HN 0.252 nan 8.230 nan 0.000 0.456 2405 G N 0.619 109.456 108.800 0.062 0.000 2.564 2405 G HA2 -0.077 3.883 3.960 0.000 0.000 0.216 2405 G HA3 -0.077 3.883 3.960 0.000 0.000 0.216 2405 G C 1.109 176.016 174.900 0.013 0.000 1.124 2405 G CA 0.609 45.727 45.100 0.029 0.000 0.764 2405 G HN 0.455 nan 8.290 nan 0.000 0.550 2406 G N 0.419 109.226 108.800 0.012 0.000 2.820 2406 G HA2 0.296 4.256 3.960 0.000 0.000 0.158 2406 G HA3 0.296 4.256 3.960 0.000 0.000 0.158 2406 G C 0.843 175.752 174.900 0.014 0.000 1.715 2406 G CA 0.641 45.742 45.100 0.002 0.000 1.057 2406 G HN 0.582 nan 8.290 nan 0.000 0.525 2407 T N -0.779 113.785 114.554 0.017 0.000 2.906 2407 T HA 0.051 4.401 4.350 0.000 0.000 0.329 2407 T C 0.312 175.028 174.700 0.027 0.000 1.091 2407 T CA 0.594 62.707 62.100 0.021 0.000 1.127 2407 T CB 0.672 69.555 68.868 0.023 0.000 1.035 2407 T HN 0.370 nan 8.240 nan 0.000 0.547 2408 D N -0.436 119.978 120.400 0.023 0.000 2.340 2408 D HA 0.000 4.640 4.640 0.000 0.000 0.220 2408 D C 0.282 176.599 176.300 0.028 0.000 1.039 2408 D CA 0.045 54.059 54.000 0.025 0.000 0.866 2408 D CB 0.018 40.829 40.800 0.018 0.000 0.913 2408 D HN 0.637 nan 8.370 nan 0.000 0.523 2409 D N 1.990 122.408 120.400 0.031 0.000 2.363 2409 D HA -0.051 4.589 4.640 0.000 0.000 0.263 2409 D C 1.642 177.968 176.300 0.042 0.000 1.258 2409 D CA 0.204 54.224 54.000 0.033 0.000 0.907 2409 D CB 1.138 41.958 40.800 0.034 0.000 1.107 2409 D HN 0.059 nan 8.370 nan 0.000 0.495 2410 T N 0.653 115.229 114.554 0.037 0.000 2.720 2410 T HA -0.177 4.173 4.350 0.000 0.000 0.268 2410 T C 1.980 176.712 174.700 0.053 0.000 1.037 2410 T CA 1.252 63.377 62.100 0.040 0.000 1.144 2410 T CB -0.371 68.515 68.868 0.031 0.000 0.864 2410 T HN 0.232 nan 8.240 nan 0.000 0.444 2411 V N 1.797 121.742 119.914 0.052 0.000 2.427 2411 V HA -0.112 4.008 4.120 0.000 0.000 0.248 2411 V C 2.760 178.902 176.094 0.079 0.000 1.051 2411 V CA 1.851 64.188 62.300 0.063 0.000 1.048 2411 V CB -0.628 31.226 31.823 0.051 0.000 0.666 2411 V HN 0.536 nan 8.190 nan 0.000 0.456 2412 K N 0.112 120.556 120.400 0.073 0.000 2.103 2412 K HA -0.097 4.223 4.320 0.000 0.000 0.204 2412 K C 2.218 178.888 176.600 0.116 0.000 1.052 2412 K CA 0.966 57.303 56.287 0.085 0.000 0.945 2412 K CB -0.183 32.356 32.500 0.064 0.000 0.722 2412 K HN 0.406 nan 8.250 nan 0.000 0.443 2413 K N 1.262 121.728 120.400 0.111 0.000 2.103 2413 K HA -0.168 4.152 4.320 0.000 0.000 0.207 2413 K C 2.160 178.886 176.600 0.210 0.000 1.048 2413 K CA 1.095 57.469 56.287 0.144 0.000 0.930 2413 K CB -0.031 32.531 32.500 0.102 0.000 0.716 2413 K HN 0.038 nan 8.250 nan 0.000 0.444 2414 K N 1.505 122.011 120.400 0.177 0.000 2.097 2414 K HA -0.196 4.124 4.320 0.000 0.000 0.206 2414 K C 0.912 177.689 176.600 0.295 0.000 1.049 2414 K CA 1.965 58.393 56.287 0.234 0.000 0.933 2414 K CB 0.012 32.611 32.500 0.165 0.000 0.717 2414 K HN 0.037 nan 8.250 nan 0.000 0.442 2415 D N 0.703 121.234 120.400 0.218 0.000 2.162 2415 D HA -0.039 4.601 4.640 0.000 0.000 0.203 2415 D C 1.935 178.370 176.300 0.225 0.000 0.967 2415 D CA 0.698 54.817 54.000 0.199 0.000 0.840 2415 D CB 0.021 40.905 40.800 0.141 0.000 0.972 2415 D HN 0.173 nan 8.370 nan 0.000 0.482 2416 L N -0.398 120.969 121.223 0.240 0.000 2.217 2416 L HA -0.044 4.296 4.340 0.000 0.000 0.211 2416 L C 2.026 179.119 176.870 0.371 0.000 1.107 2416 L CA 0.370 55.377 54.840 0.277 0.000 0.783 2416 L CB -0.222 41.980 42.059 0.238 0.000 0.919 2416 L HN 0.012 nan 8.230 nan 0.000 0.442 2417 F N 0.856 120.932 119.950 0.210 0.000 2.146 2417 F HA -0.178 4.349 4.527 0.000 0.000 0.298 2417 F C 2.117 178.029 175.800 0.185 0.000 1.096 2417 F CA 1.434 59.548 58.000 0.189 0.000 1.275 2417 F CB -0.182 38.927 39.000 0.181 0.000 1.008 2417 F HN -0.126 nan 8.300 nan 0.000 0.480 2418 L N -0.138 121.208 121.223 0.204 0.000 2.191 2418 L HA -0.201 4.139 4.340 0.000 0.000 0.212 2418 L C 1.966 178.906 176.870 0.117 0.000 1.103 2418 L CA 1.187 56.132 54.840 0.175 0.000 0.769 2418 L CB -0.739 41.477 42.059 0.262 0.000 0.908 2418 L HN 0.108 nan 8.230 nan 0.000 0.438 2419 D N -0.226 120.271 120.400 0.163 0.000 2.183 2419 D HA -0.132 4.508 4.640 0.000 0.000 0.203 2419 D C 2.170 178.560 176.300 0.150 0.000 0.969 2419 D CA 0.607 54.735 54.000 0.213 0.000 0.842 2419 D CB 0.083 41.067 40.800 0.307 0.000 0.957 2419 D HN 0.132 nan 8.370 nan 0.000 0.484 2420 L N 1.439 122.641 121.223 -0.036 0.000 1.970 2420 L HA -0.168 4.172 4.340 0.000 0.000 0.212 2420 L C 2.248 178.839 176.870 -0.464 0.000 1.071 2420 L CA 1.499 56.037 54.840 -0.504 0.000 0.751 2420 L CB -0.963 40.801 42.059 -0.492 0.000 0.889 2420 L HN -0.013 nan 8.230 nan 0.000 0.432 2421 I N 0.262 120.505 120.570 -0.545 0.000 2.142 2421 I HA -0.287 3.883 4.170 0.000 0.000 0.240 2421 I C 2.780 178.619 176.117 -0.464 0.000 1.078 2421 I CA 1.315 62.221 61.300 -0.656 0.000 1.343 2421 I CB -0.680 36.675 38.000 -1.075 0.000 1.046 2421 I HN 0.316 nan 8.210 nan 0.000 0.405 2422 A N 0.406 123.098 122.820 -0.213 0.000 1.986 2422 A HA -0.277 4.043 4.320 0.000 0.000 0.220 2422 A C 1.946 179.561 177.584 0.051 0.000 1.171 2422 A CA 2.282 54.368 52.037 0.081 0.000 0.640 2422 A CB -0.613 18.498 19.000 0.186 0.000 0.811 2422 A HN 0.407 nan 8.150 nan 0.000 0.451 2423 D N -0.566 119.789 120.400 -0.074 0.000 2.123 2423 D HA -0.054 4.586 4.640 0.000 0.000 0.200 2423 D C 2.086 178.166 176.300 -0.367 0.000 0.976 2423 D CA 1.440 55.379 54.000 -0.101 0.000 0.831 2423 D CB -0.247 40.591 40.800 0.064 0.000 0.974 2423 D HN 0.254 nan 8.370 nan 0.000 0.469 2424 V N 0.994 120.525 119.914 -0.638 0.000 2.548 2424 V HA -0.163 3.958 4.120 0.000 0.000 0.249 2424 V C 2.400 178.179 176.094 -0.524 0.000 1.055 2424 V CA 1.109 62.944 62.300 -0.774 0.000 1.065 2424 V CB -0.335 30.944 31.823 -0.907 0.000 0.681 2424 V HN 0.201 nan 8.190 nan 0.000 0.462 2425 M N -1.669 117.615 119.600 -0.526 0.000 2.287 2425 M HA 0.109 4.589 4.480 0.000 0.000 0.266 2425 M C 1.768 177.520 176.300 -0.914 0.000 1.079 2425 M CA 1.910 56.748 55.300 -0.770 0.000 1.146 2425 M CB -0.038 31.949 32.600 -1.021 0.000 1.374 2425 M HN 0.392 nan 8.290 nan 0.000 0.435 2426 F N -1.543 118.315 119.950 -0.153 0.000 2.421 2426 F HA 0.361 4.888 4.527 0.000 0.000 0.270 2426 F C 2.349 178.084 175.800 -0.107 0.000 0.894 2426 F CA 0.147 58.090 58.000 -0.095 0.000 1.128 2426 F CB -1.346 37.640 39.000 -0.023 0.000 1.011 2426 F HN 0.032 nan 8.300 nan 0.000 0.788 2427 G N 1.529 110.396 108.800 0.110 0.000 2.777 2427 G HA2 -0.261 3.700 3.960 0.000 0.000 0.217 2427 G HA3 -0.261 3.700 3.960 0.000 0.000 0.217 2427 G C 1.671 176.550 174.900 -0.035 0.000 1.295 2427 G CA 2.313 47.428 45.100 0.024 0.000 0.800 2427 G HN 0.161 nan 8.290 nan 0.000 0.637 2428 V N 2.330 122.202 119.914 -0.069 0.000 2.287 2428 V HA -0.139 3.981 4.120 0.000 0.000 0.248 2428 V C 0.438 176.488 176.094 -0.073 0.000 1.053 2428 V CA 2.400 64.664 62.300 -0.060 0.000 1.027 2428 V CB -1.536 30.222 31.823 -0.109 0.000 0.646 2428 V HN 0.319 nan 8.190 nan 0.000 0.447 2429 P HA -0.117 nan 4.420 nan 0.000 0.215 2429 P C 2.073 179.325 177.300 -0.081 0.000 1.157 2429 P CA 1.996 65.039 63.100 -0.096 0.000 0.874 2429 P CB -0.128 31.487 31.700 -0.142 0.000 0.790 2430 S N -0.703 114.944 115.700 -0.087 0.000 2.359 2430 S HA -0.128 4.343 4.470 0.000 0.000 0.224 2430 S C 2.030 176.523 174.600 -0.180 0.000 1.035 2430 S CA 1.426 59.548 58.200 -0.129 0.000 1.018 2430 S CB -1.348 61.775 63.200 -0.129 0.000 0.876 2430 S HN -0.055 nan 8.310 nan 0.000 0.448 2431 V N 2.192 122.013 119.914 -0.156 0.000 2.343 2431 V HA -0.163 3.957 4.120 0.000 0.000 0.247 2431 V C 2.073 178.128 176.094 -0.064 0.000 1.051 2431 V CA 1.496 63.700 62.300 -0.161 0.000 1.036 2431 V CB -0.725 31.051 31.823 -0.079 0.000 0.654 2431 V HN 0.448 nan 8.190 nan 0.000 0.451 2432 I N -0.290 120.265 120.570 -0.025 0.000 2.163 2432 I HA -0.241 3.930 4.170 0.000 0.000 0.243 2432 I C 2.390 178.519 176.117 0.021 0.000 1.085 2432 I CA 1.393 62.703 61.300 0.017 0.000 1.347 2432 I CB -0.520 37.487 38.000 0.012 0.000 1.044 2432 I HN 0.159 nan 8.210 nan 0.000 0.408 2433 V N 1.076 120.981 119.914 -0.015 0.000 2.295 2433 V HA -0.300 3.820 4.120 0.000 0.000 0.246 2433 V C 2.753 178.865 176.094 0.030 0.000 1.049 2433 V CA 2.017 64.325 62.300 0.015 0.000 1.024 2433 V CB -1.052 30.762 31.823 -0.015 0.000 0.648 2433 V HN 0.507 nan 8.190 nan 0.000 0.447 2434 A N -0.044 122.720 122.820 -0.093 0.000 1.908 2434 A HA -0.248 4.073 4.320 0.000 0.000 0.218 2434 A C 2.376 180.051 177.584 0.151 0.000 1.181 2434 A CA 1.992 53.952 52.037 -0.128 0.000 0.627 2434 A CB -0.500 18.183 19.000 -0.528 0.000 0.818 2434 A HN 0.521 nan 8.150 nan 0.000 0.445 2435 R N -0.350 120.276 120.500 0.211 0.000 2.070 2435 R HA -0.111 4.229 4.340 0.000 0.000 0.233 2435 R C 2.001 178.412 176.300 0.184 0.000 1.137 2435 R CA 1.487 57.759 56.100 0.287 0.000 0.945 2435 R CB -0.445 29.985 30.300 0.216 0.000 0.845 2435 R HN 0.541 nan 8.270 nan 0.000 0.430 2436 N N 0.187 118.974 118.700 0.145 0.000 2.149 2436 N HA -0.199 4.541 4.740 0.000 0.000 0.188 2436 N C 1.733 177.332 175.510 0.148 0.000 1.019 2436 N CA 1.368 54.491 53.050 0.122 0.000 0.857 2436 N CB -0.351 38.197 38.487 0.101 0.000 0.997 2436 N HN 0.357 nan 8.380 nan 0.000 0.426 2437 H N 1.244 120.388 119.070 0.122 0.000 2.423 2437 H HA 0.039 4.595 4.556 0.000 0.000 0.297 2437 H C 2.288 177.693 175.328 0.129 0.000 1.075 2437 H CA 1.451 57.593 56.048 0.155 0.000 1.342 2437 H CB 0.156 30.061 29.762 0.238 0.000 1.395 2437 H HN 0.105 nan 8.280 nan 0.000 0.530 2438 R N 0.308 120.923 120.500 0.192 0.000 2.064 2438 R HA -0.116 4.224 4.340 0.000 0.000 0.228 2438 R C 1.324 177.645 176.300 0.036 0.000 1.144 2438 R CA 1.839 58.011 56.100 0.119 0.000 0.932 2438 R CB -0.189 30.213 30.300 0.171 0.000 0.833 2438 R HN 0.379 nan 8.270 nan 0.000 0.429 2439 D N 0.623 121.052 120.400 0.049 0.000 2.265 2439 D HA -0.151 4.489 4.640 0.000 0.000 0.208 2439 D C 1.580 177.881 176.300 0.003 0.000 0.977 2439 D CA 1.247 55.261 54.000 0.023 0.000 0.871 2439 D CB -0.106 40.715 40.800 0.034 0.000 0.925 2439 D HN 0.444 nan 8.370 nan 0.000 0.485 2440 A N 0.067 122.876 122.820 -0.017 0.000 2.014 2440 A HA 0.251 4.571 4.320 0.000 0.000 0.218 2440 A C 1.899 179.449 177.584 -0.057 0.000 1.163 2440 A CA 1.640 53.652 52.037 -0.041 0.000 0.652 2440 A CB -0.143 18.805 19.000 -0.086 0.000 0.808 2440 A HN 0.321 nan 8.150 nan 0.000 0.449 2441 G N -2.943 105.815 108.800 -0.070 0.000 2.141 2441 G HA2 0.300 4.260 3.960 0.000 0.000 0.164 2441 G HA3 0.300 4.260 3.960 0.000 0.000 0.164 2441 G C 0.067 174.928 174.900 -0.065 0.000 1.009 2441 G CA 0.105 45.175 45.100 -0.050 0.000 0.677 2441 G HN 1.528 nan 8.290 nan 0.000 0.508 2442 A N -0.087 122.653 122.820 -0.135 0.000 2.355 2442 A HA 0.913 5.233 4.320 0.000 0.000 0.324 2442 A C -2.655 174.965 177.584 0.060 0.000 1.117 2442 A CA -1.784 50.197 52.037 -0.094 0.000 0.785 2442 A CB 1.385 20.205 19.000 -0.300 0.000 1.254 2442 A HN 0.028 nan 8.150 nan 0.000 0.453 2443 P HA 0.124 nan 4.420 nan 0.000 0.257 2443 P C -0.469 176.988 177.300 0.262 0.000 1.189 2443 P CA 0.984 64.183 63.100 0.165 0.000 0.780 2443 P CB 0.300 32.144 31.700 0.241 0.000 0.772 2444 T N 3.713 118.306 114.554 0.065 0.000 2.885 2444 T HA 0.569 4.919 4.350 0.000 0.000 0.285 2444 T C -0.823 173.718 174.700 -0.266 0.000 1.019 2444 T CA -0.219 61.938 62.100 0.095 0.000 1.010 2444 T CB 0.774 69.787 68.868 0.241 0.000 1.022 2444 T HN 0.113 nan 8.240 nan 0.000 0.466 2445 Y N 0.922 121.190 120.300 -0.053 0.000 2.470 2445 Y HA 0.626 5.176 4.550 0.000 0.000 0.341 2445 Y C -0.138 175.697 175.900 -0.108 0.000 1.021 2445 Y CA -1.038 56.989 58.100 -0.123 0.000 1.025 2445 Y CB 1.991 40.112 38.460 -0.565 0.000 1.266 2445 Y HN 0.384 nan 8.280 nan 0.000 0.448 2446 M N 3.381 123.178 119.600 0.327 0.000 2.619 2446 M HA 0.571 5.051 4.480 0.000 0.000 0.297 2446 M C -1.573 175.034 176.300 0.511 0.000 1.229 2446 M CA -0.997 54.385 55.300 0.138 0.000 0.860 2446 M CB 3.262 35.718 32.600 -0.240 0.000 1.741 2446 M HN 0.766 nan 8.290 nan 0.000 0.462 2447 Y N -1.457 119.006 120.300 0.271 0.000 2.638 2447 Y HA 0.691 5.241 4.550 0.000 0.000 0.335 2447 Y C -1.561 174.449 175.900 0.183 0.000 1.155 2447 Y CA -1.022 57.218 58.100 0.233 0.000 1.046 2447 Y CB 1.518 40.072 38.460 0.158 0.000 1.303 2447 Y HN 0.695 nan 8.280 nan 0.000 0.460 2448 E N 2.443 122.920 120.200 0.462 0.000 2.460 2448 E HA 0.264 4.614 4.350 0.000 0.000 0.249 2448 E C -2.068 174.782 176.600 0.417 0.000 0.962 2448 E CA -0.747 55.858 56.400 0.342 0.000 0.787 2448 E CB 0.841 30.684 29.700 0.238 0.000 1.341 2448 E HN 0.628 nan 8.360 nan 0.000 0.407 2449 F N 3.524 123.710 119.950 0.393 0.000 2.541 2449 F HA 0.092 4.620 4.527 0.000 0.000 0.378 2449 F C 0.058 175.975 175.800 0.195 0.000 1.068 2449 F CA 0.595 58.750 58.000 0.259 0.000 1.199 2449 F CB 0.711 39.873 39.000 0.269 0.000 1.091 2449 F HN 0.467 nan 8.300 nan 0.000 0.555 2450 Q N 7.226 126.858 119.800 -0.280 0.000 2.771 2450 Q HA 0.248 4.588 4.340 0.000 0.000 0.247 2450 Q C -2.164 173.690 176.000 -0.243 0.000 0.986 2450 Q CA -0.582 55.136 55.803 -0.141 0.000 0.713 2450 Q CB 0.790 29.506 28.738 -0.038 0.000 1.241 2450 Q HN 0.794 nan 8.270 nan 0.000 0.488 2451 Y N 0.694 120.745 120.300 -0.416 0.000 2.565 2451 Y HA 0.339 4.889 4.550 0.000 0.000 0.330 2451 Y C -1.893 173.999 175.900 -0.014 0.000 1.150 2451 Y CA -0.859 57.063 58.100 -0.297 0.000 1.055 2451 Y CB 1.460 39.600 38.460 -0.534 0.000 1.337 2451 Y HN 0.453 nan 8.280 nan 0.000 0.457 2452 R N 7.032 127.178 120.500 -0.590 0.000 2.247 2452 R HA 0.454 4.794 4.340 0.000 0.000 0.329 2452 R C -2.714 173.341 176.300 -0.408 0.000 1.014 2452 R CA -2.028 53.876 56.100 -0.327 0.000 0.907 2452 R CB 0.767 30.886 30.300 -0.302 0.000 1.146 2452 R HN 0.420 nan 8.270 nan 0.000 0.499 2453 P HA -0.054 nan 4.420 nan 0.000 0.267 2453 P C 0.199 177.294 177.300 -0.340 0.000 1.200 2453 P CA 0.163 63.236 63.100 -0.046 0.000 0.772 2453 P CB 1.288 33.009 31.700 0.034 0.000 0.855 2454 S N 1.045 116.399 115.700 -0.576 0.000 2.481 2454 S HA -0.064 4.407 4.470 0.000 0.000 0.231 2454 S C 1.201 175.389 174.600 -0.687 0.000 0.996 2454 S CA 0.370 58.182 58.200 -0.647 0.000 0.942 2454 S CB -1.067 61.689 63.200 -0.739 0.000 0.768 2454 S HN 0.393 nan 8.310 nan 0.000 0.520 2455 F N 2.409 122.112 119.950 -0.412 0.000 2.773 2455 F HA 0.379 4.906 4.527 0.000 0.000 0.304 2455 F C 1.348 176.892 175.800 -0.426 0.000 1.129 2455 F CA -0.528 57.184 58.000 -0.481 0.000 1.378 2455 F CB -0.538 37.990 39.000 -0.788 0.000 1.095 2455 F HN 0.034 nan 8.300 nan 0.000 0.565 2456 S N -0.078 115.479 115.700 -0.240 0.000 2.598 2456 S HA 0.077 4.548 4.470 0.000 0.000 0.256 2456 S C 0.608 175.150 174.600 -0.097 0.000 1.350 2456 S CA -0.590 57.537 58.200 -0.121 0.000 0.984 2456 S CB 0.736 63.843 63.200 -0.157 0.000 0.930 2456 S HN 0.313 nan 8.310 nan 0.000 0.577 2457 S N -0.190 115.443 115.700 -0.111 0.000 2.593 2457 S HA 0.073 4.543 4.470 0.000 0.000 0.269 2457 S C 0.714 175.168 174.600 -0.242 0.000 1.334 2457 S CA -0.529 57.593 58.200 -0.130 0.000 1.015 2457 S CB 0.211 63.349 63.200 -0.103 0.000 0.912 2457 S HN 0.628 nan 8.310 nan 0.000 0.541 2458 D N 2.533 122.843 120.400 -0.150 0.000 2.224 2458 D HA -0.036 4.604 4.640 0.000 0.000 0.205 2458 D C 1.293 177.475 176.300 -0.196 0.000 0.965 2458 D CA 1.144 55.054 54.000 -0.150 0.000 0.852 2458 D CB -0.001 40.752 40.800 -0.078 0.000 0.947 2458 D HN 0.623 nan 8.370 nan 0.000 0.494 2459 M N 0.523 119.999 119.600 -0.207 0.000 2.563 2459 M HA 0.031 4.511 4.480 0.000 0.000 0.231 2459 M C 0.780 176.728 176.300 -0.587 0.000 1.136 2459 M CA 0.251 55.443 55.300 -0.181 0.000 1.026 2459 M CB 0.148 32.815 32.600 0.111 0.000 1.597 2459 M HN -0.260 nan 8.290 nan 0.000 0.495 2460 K N 3.398 123.224 120.400 -0.957 0.000 2.248 2460 K HA 0.279 4.599 4.320 0.000 0.000 0.281 2460 K C -2.303 173.932 176.600 -0.607 0.000 1.054 2460 K CA -1.775 53.701 56.287 -1.352 0.000 0.903 2460 K CB 0.958 32.720 32.500 -1.231 0.000 1.077 2460 K HN -0.088 nan 8.250 nan 0.000 0.474 2461 P HA -0.050 nan 4.420 nan 0.000 0.265 2461 P C -0.138 177.055 177.300 -0.177 0.000 1.187 2461 P CA -0.082 62.895 63.100 -0.206 0.000 0.766 2461 P CB 0.719 32.361 31.700 -0.097 0.000 0.820 2462 K N 1.500 121.816 120.400 -0.140 0.000 2.281 2462 K HA -0.097 4.223 4.320 0.000 0.000 0.203 2462 K C 1.880 178.420 176.600 -0.100 0.000 1.046 2462 K CA 1.938 58.149 56.287 -0.127 0.000 0.938 2462 K CB -1.031 31.406 32.500 -0.106 0.000 0.737 2462 K HN 0.677 nan 8.250 nan 0.000 0.458 2463 T N -1.134 113.377 114.554 -0.072 0.000 2.770 2463 T HA -0.045 4.305 4.350 0.000 0.000 0.263 2463 T C 1.212 175.895 174.700 -0.030 0.000 1.039 2463 T CA 0.247 62.322 62.100 -0.041 0.000 1.142 2463 T CB -0.542 68.318 68.868 -0.012 0.000 0.868 2463 T HN -0.130 nan 8.240 nan 0.000 0.435 2464 V N 3.070 122.970 119.914 -0.024 0.000 2.441 2464 V HA 0.197 4.317 4.120 0.000 0.000 0.279 2464 V C 0.185 176.277 176.094 -0.003 0.000 0.990 2464 V CA 0.411 62.719 62.300 0.014 0.000 1.116 2464 V CB -1.005 30.847 31.823 0.048 0.000 0.977 2464 V HN 0.467 nan 8.190 nan 0.000 0.470 2465 I N 4.260 124.839 120.570 0.015 0.000 2.410 2465 I HA 0.602 4.772 4.170 0.000 0.000 0.286 2465 I C 0.815 176.974 176.117 0.070 0.000 1.009 2465 I CA -0.262 61.037 61.300 -0.002 0.000 1.111 2465 I CB 1.652 39.618 38.000 -0.056 0.000 1.262 2465 I HN 0.787 nan 8.210 nan 0.000 0.443 2466 G N 3.893 112.776 108.800 0.138 0.000 2.270 2466 G HA2 -0.206 3.754 3.960 0.000 0.000 0.224 2466 G HA3 -0.206 3.754 3.960 0.000 0.000 0.224 2466 G C -0.356 174.694 174.900 0.249 0.000 1.079 2466 G CA -0.287 44.961 45.100 0.247 0.000 0.807 2466 G HN 0.671 nan 8.290 nan 0.000 0.492 2467 D N -0.712 119.836 120.400 0.246 0.000 2.398 2467 D HA 0.367 5.007 4.640 0.000 0.000 0.247 2467 D C 0.884 177.349 176.300 0.274 0.000 1.227 2467 D CA -0.439 53.715 54.000 0.257 0.000 0.980 2467 D CB 0.356 41.336 40.800 0.299 0.000 1.106 2467 D HN 0.309 nan 8.370 nan 0.000 0.493 2468 H N -0.462 118.694 119.070 0.143 0.000 3.145 2468 H HA 0.306 4.862 4.556 0.000 0.000 0.288 2468 H C 1.259 176.719 175.328 0.219 0.000 0.969 2468 H CA 1.694 57.801 56.048 0.098 0.000 1.444 2468 H CB -0.187 29.613 29.762 0.065 0.000 1.500 2468 H HN 0.586 nan 8.280 nan 0.000 0.552 2469 G N 4.285 112.932 108.800 -0.255 0.000 2.176 2469 G HA2 -0.319 3.641 3.960 0.000 0.000 0.253 2469 G HA3 -0.319 3.641 3.960 0.000 0.000 0.253 2469 G C 1.216 176.033 174.900 -0.138 0.000 0.979 2469 G CA 0.424 45.311 45.100 -0.354 0.000 0.641 2469 G HN 0.628 nan 8.290 nan 0.000 0.530 2470 D N 0.953 121.413 120.400 0.101 0.000 2.221 2470 D HA -0.052 4.588 4.640 0.000 0.000 0.204 2470 D C 2.416 178.724 176.300 0.013 0.000 0.982 2470 D CA 1.422 55.596 54.000 0.290 0.000 0.857 2470 D CB 0.004 41.073 40.800 0.448 0.000 0.934 2470 D HN 0.729 nan 8.370 nan 0.000 0.475 2471 E N 0.912 120.758 120.200 -0.591 0.000 2.358 2471 E HA -0.102 4.248 4.350 0.000 0.000 0.195 2471 E C 2.129 178.389 176.600 -0.566 0.000 1.010 2471 E CA 0.125 55.773 56.400 -1.253 0.000 0.856 2471 E CB -0.723 28.141 29.700 -1.393 0.000 0.795 2471 E HN 0.322 nan 8.360 nan 0.000 0.504 2472 L N -0.127 120.853 121.223 -0.406 0.000 2.189 2472 L HA -0.138 4.202 4.340 0.000 0.000 0.214 2472 L C 2.159 178.792 176.870 -0.396 0.000 1.097 2472 L CA 1.282 55.884 54.840 -0.397 0.000 0.764 2472 L CB -0.498 41.186 42.059 -0.625 0.000 0.900 2472 L HN 0.036 nan 8.230 nan 0.000 0.436 2473 F N -1.231 118.642 119.950 -0.128 0.000 2.293 2473 F HA -0.097 4.431 4.527 0.000 0.000 0.297 2473 F C 2.585 178.335 175.800 -0.083 0.000 1.089 2473 F CA 0.867 58.812 58.000 -0.092 0.000 1.377 2473 F CB -0.337 38.696 39.000 0.056 0.000 1.051 2473 F HN -0.055 nan 8.300 nan 0.000 0.511 2474 S N -0.125 115.601 115.700 0.044 0.000 2.362 2474 S HA -0.088 4.382 4.470 0.000 0.000 0.221 2474 S C 2.254 176.711 174.600 -0.238 0.000 1.032 2474 S CA 0.930 59.101 58.200 -0.048 0.000 0.973 2474 S CB -0.497 62.683 63.200 -0.035 0.000 0.849 2474 S HN 0.108 nan 8.310 nan 0.000 0.465 2475 V N 0.683 120.334 119.914 -0.439 0.000 2.392 2475 V HA -0.103 4.017 4.120 0.000 0.000 0.249 2475 V C 1.188 176.907 176.094 -0.625 0.000 1.059 2475 V CA 1.560 63.443 62.300 -0.694 0.000 1.051 2475 V CB -0.673 30.691 31.823 -0.765 0.000 0.658 2475 V HN 0.455 nan 8.190 nan 0.000 0.455 2476 F N 0.243 120.009 119.950 -0.307 0.000 2.750 2476 F HA 0.491 5.018 4.527 0.000 0.000 0.297 2476 F C 1.608 177.314 175.800 -0.156 0.000 1.138 2476 F CA 0.272 58.118 58.000 -0.257 0.000 1.346 2476 F CB -0.090 38.703 39.000 -0.347 0.000 0.965 2476 F HN 0.204 nan 8.300 nan 0.000 0.514 2477 G N 1.045 109.857 108.800 0.020 0.000 2.421 2477 G HA2 -0.320 3.640 3.960 0.000 0.000 0.300 2477 G HA3 -0.320 3.640 3.960 0.000 0.000 0.300 2477 G C 1.311 176.304 174.900 0.154 0.000 0.974 2477 G CA 0.414 45.639 45.100 0.210 0.000 1.062 2477 G HN 0.599 nan 8.290 nan 0.000 0.514 2478 A N 0.181 122.987 122.820 -0.023 0.000 1.940 2478 A HA 0.053 4.373 4.320 0.000 0.000 0.219 2478 A C 0.701 178.092 177.584 -0.321 0.000 1.176 2478 A CA 2.122 54.012 52.037 -0.245 0.000 0.631 2478 A CB -0.787 17.971 19.000 -0.403 0.000 0.814 2478 A HN 0.488 nan 8.150 nan 0.000 0.446 2479 P HA -0.122 nan 4.420 nan 0.000 0.221 2479 P C 0.506 177.593 177.300 -0.355 0.000 1.145 2479 P CA 0.919 63.915 63.100 -0.174 0.000 0.795 2479 P CB -0.156 31.327 31.700 -0.361 0.000 0.775 2480 F N -2.435 117.521 119.950 0.010 0.000 2.732 2480 F HA 0.194 4.721 4.527 0.000 0.000 0.303 2480 F C 1.677 177.500 175.800 0.039 0.000 1.110 2480 F CA 0.419 58.447 58.000 0.047 0.000 1.355 2480 F CB -0.280 38.747 39.000 0.046 0.000 1.081 2480 F HN -0.148 nan 8.300 nan 0.000 0.565 2481 L N -1.825 119.456 121.223 0.098 0.000 2.758 2481 L HA 0.220 4.561 4.340 0.000 0.000 0.234 2481 L C 0.982 177.864 176.870 0.021 0.000 1.049 2481 L CA 0.090 54.963 54.840 0.056 0.000 0.908 2481 L CB 0.132 42.197 42.059 0.010 0.000 1.362 2481 L HN -0.216 nan 8.230 nan 0.000 0.499 2482 K N 0.568 120.953 120.400 -0.026 0.000 2.520 2482 K HA 0.426 4.746 4.320 0.000 0.000 0.256 2482 K C -0.539 176.134 176.600 0.122 0.000 1.033 2482 K CA -0.486 55.821 56.287 0.033 0.000 1.007 2482 K CB 0.850 33.335 32.500 -0.024 0.000 1.330 2482 K HN -0.059 nan 8.250 nan 0.000 0.507 2483 E N -1.470 118.829 120.200 0.165 0.000 2.336 2483 E HA 0.366 4.716 4.350 0.000 0.000 0.267 2483 E C -0.098 176.564 176.600 0.102 0.000 0.906 2483 E CA -0.386 56.084 56.400 0.117 0.000 0.781 2483 E CB 1.855 31.596 29.700 0.068 0.000 1.261 2483 E HN 0.768 nan 8.360 nan 0.000 0.436 2484 G N 0.688 109.507 108.800 0.031 0.000 2.194 2484 G HA2 -0.286 3.675 3.960 0.000 0.000 0.236 2484 G HA3 -0.286 3.675 3.960 0.000 0.000 0.236 2484 G C 0.362 175.197 174.900 -0.109 0.000 0.987 2484 G CA -0.133 44.941 45.100 -0.044 0.000 0.635 2484 G HN 0.763 nan 8.290 nan 0.000 0.520 2485 A N 0.909 123.684 122.820 -0.074 0.000 2.524 2485 A HA 0.600 4.920 4.320 0.000 0.000 0.250 2485 A C 1.149 178.677 177.584 -0.094 0.000 1.078 2485 A CA 1.132 53.091 52.037 -0.130 0.000 0.761 2485 A CB 0.095 19.118 19.000 0.039 0.000 1.012 2485 A HN 2.031 nan 8.150 nan 0.000 0.500 2486 S N 1.492 117.132 115.700 -0.101 0.000 2.600 2486 S HA 0.178 4.649 4.470 0.000 0.000 0.265 2486 S C 0.917 175.489 174.600 -0.047 0.000 1.325 2486 S CA 0.367 58.530 58.200 -0.061 0.000 1.002 2486 S CB 0.820 63.991 63.200 -0.049 0.000 0.921 2486 S HN 0.775 nan 8.310 nan 0.000 0.554 2487 E N 0.420 120.601 120.200 -0.031 0.000 2.267 2487 E HA -0.180 4.170 4.350 0.000 0.000 0.197 2487 E C 1.750 178.335 176.600 -0.024 0.000 0.998 2487 E CA 1.678 58.065 56.400 -0.022 0.000 0.830 2487 E CB -0.294 29.401 29.700 -0.008 0.000 0.751 2487 E HN 0.812 nan 8.360 nan 0.000 0.491 2488 E N 0.010 120.199 120.200 -0.018 0.000 2.047 2488 E HA -0.202 4.148 4.350 0.000 0.000 0.191 2488 E C 1.897 178.461 176.600 -0.061 0.000 0.987 2488 E CA 1.071 57.460 56.400 -0.018 0.000 0.799 2488 E CB -0.048 29.669 29.700 0.028 0.000 0.752 2488 E HN 0.382 nan 8.360 nan 0.000 0.449 2489 E N 0.221 120.398 120.200 -0.038 0.000 2.072 2489 E HA -0.144 4.206 4.350 0.000 0.000 0.191 2489 E C 2.191 178.732 176.600 -0.098 0.000 0.985 2489 E CA 0.743 57.103 56.400 -0.067 0.000 0.801 2489 E CB 0.006 29.713 29.700 0.013 0.000 0.750 2489 E HN 0.299 nan 8.360 nan 0.000 0.452 2490 I N 0.491 120.989 120.570 -0.120 0.000 2.335 2490 I HA -0.279 3.891 4.170 0.000 0.000 0.251 2490 I C 2.710 178.791 176.117 -0.060 0.000 1.129 2490 I CA 0.973 62.143 61.300 -0.217 0.000 1.402 2490 I CB -0.235 37.662 38.000 -0.172 0.000 1.069 2490 I HN 0.067 nan 8.210 nan 0.000 0.424 2491 R N 0.804 121.287 120.500 -0.028 0.000 2.062 2491 R HA -0.140 4.200 4.340 0.000 0.000 0.226 2491 R C 2.370 178.663 176.300 -0.013 0.000 1.125 2491 R CA 0.988 57.094 56.100 0.010 0.000 0.966 2491 R CB -0.185 30.111 30.300 -0.006 0.000 0.861 2491 R HN 0.168 nan 8.270 nan 0.000 0.433 2492 L N 0.686 121.858 121.223 -0.085 0.000 2.013 2492 L HA -0.204 4.136 4.340 0.000 0.000 0.212 2492 L C 2.295 179.138 176.870 -0.044 0.000 1.073 2492 L CA 2.332 57.099 54.840 -0.121 0.000 0.753 2492 L CB -0.982 40.883 42.059 -0.324 0.000 0.890 2492 L HN 0.185 nan 8.230 nan 0.000 0.432 2493 S N -0.852 114.836 115.700 -0.020 0.000 2.365 2493 S HA -0.276 4.194 4.470 0.000 0.000 0.225 2493 S C 2.106 176.750 174.600 0.074 0.000 1.039 2493 S CA 1.810 60.032 58.200 0.038 0.000 1.033 2493 S CB -0.301 62.950 63.200 0.084 0.000 0.887 2493 S HN 0.555 nan 8.310 nan 0.000 0.447 2494 K N 0.224 120.712 120.400 0.147 0.000 2.113 2494 K HA -0.157 4.163 4.320 0.000 0.000 0.208 2494 K C 2.311 178.923 176.600 0.021 0.000 1.047 2494 K CA 1.789 58.138 56.287 0.103 0.000 0.928 2494 K CB -0.296 32.299 32.500 0.159 0.000 0.716 2494 K HN 0.514 nan 8.250 nan 0.000 0.446 2495 M N 0.710 120.315 119.600 0.008 0.000 2.064 2495 M HA -0.179 4.301 4.480 0.000 0.000 0.260 2495 M C 2.054 178.383 176.300 0.048 0.000 1.073 2495 M CA 1.560 56.841 55.300 -0.032 0.000 1.124 2495 M CB -0.055 32.551 32.600 0.010 0.000 1.326 2495 M HN -0.077 nan 8.290 nan 0.000 0.410 2496 V N 1.339 121.302 119.914 0.082 0.000 2.278 2496 V HA -0.377 3.743 4.120 0.000 0.000 0.251 2496 V C 2.496 178.576 176.094 -0.022 0.000 1.062 2496 V CA 2.420 64.731 62.300 0.020 0.000 1.038 2496 V CB -0.815 30.816 31.823 -0.319 0.000 0.646 2496 V HN 0.595 nan 8.190 nan 0.000 0.447 2497 M N -1.135 118.405 119.600 -0.101 0.000 2.108 2497 M HA -0.188 4.292 4.480 0.000 0.000 0.261 2497 M C 2.387 178.733 176.300 0.077 0.000 1.066 2497 M CA 1.676 56.936 55.300 -0.067 0.000 1.107 2497 M CB -0.565 31.975 32.600 -0.100 0.000 1.356 2497 M HN 0.209 nan 8.290 nan 0.000 0.406 2498 K N 0.339 120.767 120.400 0.047 0.000 2.009 2498 K HA -0.113 4.207 4.320 0.000 0.000 0.210 2498 K C 1.811 178.486 176.600 0.126 0.000 1.049 2498 K CA 1.724 58.022 56.287 0.017 0.000 0.929 2498 K CB -0.671 31.750 32.500 -0.132 0.000 0.714 2498 K HN 0.314 nan 8.250 nan 0.000 0.440 2499 F N -0.306 119.785 119.950 0.235 0.000 2.046 2499 F HA -0.271 4.257 4.527 0.000 0.000 0.297 2499 F C 2.649 178.642 175.800 0.323 0.000 1.123 2499 F CA 1.039 59.236 58.000 0.329 0.000 1.199 2499 F CB -0.393 38.962 39.000 0.591 0.000 0.972 2499 F HN 0.227 nan 8.300 nan 0.000 0.474 2500 W N 0.226 121.634 121.300 0.179 0.000 2.317 2500 W HA -0.315 4.346 4.660 0.000 0.000 0.318 2500 W C 2.652 179.174 176.519 0.005 0.000 1.227 2500 W CA 1.013 58.371 57.345 0.022 0.000 1.269 2500 W CB -0.777 28.627 29.460 -0.094 0.000 1.155 2500 W HN 0.059 nan 8.180 nan 0.000 0.484 2501 A N 0.644 123.602 122.820 0.231 0.000 1.883 2501 A HA -0.256 4.065 4.320 0.000 0.000 0.217 2501 A C 1.746 179.379 177.584 0.080 0.000 1.186 2501 A CA 2.020 54.115 52.037 0.097 0.000 0.624 2501 A CB -1.197 17.845 19.000 0.069 0.000 0.822 2501 A HN 0.284 nan 8.150 nan 0.000 0.444 2502 N N -1.003 117.764 118.700 0.113 0.000 2.094 2502 N HA -0.171 4.569 4.740 0.000 0.000 0.191 2502 N C 1.432 176.974 175.510 0.054 0.000 1.023 2502 N CA 1.606 54.704 53.050 0.079 0.000 0.857 2502 N CB -0.616 37.936 38.487 0.109 0.000 1.013 2502 N HN 0.522 nan 8.380 nan 0.000 0.426 2503 F N 1.725 121.616 119.950 -0.098 0.000 2.102 2503 F HA -0.098 4.429 4.527 0.000 0.000 0.298 2503 F C 2.252 177.973 175.800 -0.133 0.000 1.105 2503 F CA 1.365 59.244 58.000 -0.201 0.000 1.239 2503 F CB -0.674 38.111 39.000 -0.358 0.000 0.991 2503 F HN 0.042 nan 8.300 nan 0.000 0.474 2504 A N 0.483 123.246 122.820 -0.094 0.000 1.948 2504 A HA -0.216 4.104 4.320 0.000 0.000 0.220 2504 A C 2.352 179.843 177.584 -0.155 0.000 1.177 2504 A CA 1.909 53.857 52.037 -0.148 0.000 0.636 2504 A CB -0.677 18.280 19.000 -0.072 0.000 0.815 2504 A HN 0.479 nan 8.150 nan 0.000 0.449 2505 R N -0.539 119.896 120.500 -0.108 0.000 2.065 2505 R HA -0.020 4.320 4.340 0.000 0.000 0.224 2505 R C 1.162 177.388 176.300 -0.123 0.000 1.161 2505 R CA 1.406 57.453 56.100 -0.089 0.000 0.923 2505 R CB -0.355 29.921 30.300 -0.040 0.000 0.822 2505 R HN 0.536 nan 8.270 nan 0.000 0.437 2506 N N -0.368 118.262 118.700 -0.117 0.000 2.336 2506 N HA 0.053 4.793 4.740 0.000 0.000 0.189 2506 N C 0.662 176.065 175.510 -0.179 0.000 1.113 2506 N CA 0.888 53.872 53.050 -0.109 0.000 0.858 2506 N CB 1.253 39.714 38.487 -0.043 0.000 0.970 2506 N HN 0.503 nan 8.380 nan 0.000 0.471 2507 G N 1.408 109.972 108.800 -0.393 0.000 2.160 2507 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 2507 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 2507 G C -0.191 174.549 174.900 -0.267 0.000 1.008 2507 G CA 0.112 44.820 45.100 -0.653 0.000 0.724 2507 G HN 0.485 nan 8.290 nan 0.000 0.514 2508 N N -0.444 118.190 118.700 -0.111 0.000 2.519 2508 N HA 0.355 5.095 4.740 0.000 0.000 0.291 2508 N C -1.402 174.068 175.510 -0.067 0.000 1.107 2508 N CA -1.245 51.781 53.050 -0.040 0.000 0.904 2508 N CB 2.288 40.808 38.487 0.055 0.000 1.500 2508 N HN -0.054 nan 8.380 nan 0.000 0.510 2509 P HA -0.106 nan 4.420 nan 0.000 0.218 2509 P C -0.004 177.471 177.300 0.293 0.000 1.149 2509 P CA 0.739 63.789 63.100 -0.083 0.000 0.817 2509 P CB 0.313 31.574 31.700 -0.733 0.000 0.785 2510 N N 0.751 119.567 118.700 0.194 0.000 2.344 2510 N HA 0.245 4.986 4.740 0.000 0.000 0.236 2510 N C 0.894 176.509 175.510 0.176 0.000 1.279 2510 N CA 1.295 54.518 53.050 0.288 0.000 0.882 2510 N CB 0.183 38.829 38.487 0.265 0.000 1.110 2510 N HN 0.164 nan 8.380 nan 0.000 0.436 2511 G N -0.136 108.750 108.800 0.143 0.000 2.498 2511 G HA2 0.154 4.114 3.960 0.000 0.000 0.301 2511 G HA3 0.154 4.114 3.960 0.000 0.000 0.301 2511 G C -1.249 173.680 174.900 0.048 0.000 1.577 2511 G CA -0.820 44.323 45.100 0.071 0.000 0.868 2511 G HN 0.592 nan 8.290 nan 0.000 0.599 2512 E N 0.057 120.283 120.200 0.044 0.000 2.465 2512 E HA 0.407 4.757 4.350 0.000 0.000 0.260 2512 E C 1.100 177.703 176.600 0.004 0.000 0.980 2512 E CA 0.398 56.818 56.400 0.034 0.000 0.927 2512 E CB 0.892 30.610 29.700 0.030 0.000 0.934 2512 E HN 2.102 nan 8.360 nan 0.000 0.459 2513 G N 2.846 111.648 108.800 0.003 0.000 2.184 2513 G HA2 -0.187 3.773 3.960 0.000 0.000 0.206 2513 G HA3 -0.187 3.773 3.960 0.000 0.000 0.206 2513 G C -0.164 174.702 174.900 -0.056 0.000 0.995 2513 G CA -0.075 45.013 45.100 -0.020 0.000 0.651 2513 G HN 0.442 nan 8.290 nan 0.000 0.511 2514 L N 0.163 121.353 121.223 -0.055 0.000 2.409 2514 L HA 0.579 4.919 4.340 0.000 0.000 0.262 2514 L C -2.181 174.748 176.870 0.098 0.000 0.992 2514 L CA -2.397 52.373 54.840 -0.116 0.000 0.817 2514 L CB 1.972 43.738 42.059 -0.487 0.000 1.350 2514 L HN -0.145 nan 8.230 nan 0.000 0.411 2515 P HA -0.020 nan 4.420 nan 0.000 0.270 2515 P C -0.975 176.560 177.300 0.392 0.000 1.221 2515 P CA -0.095 63.161 63.100 0.260 0.000 0.788 2515 P CB 0.252 32.091 31.700 0.232 0.000 0.904 2516 H N 1.064 120.270 119.070 0.227 0.000 2.722 2516 H HA 0.195 4.752 4.556 0.000 0.000 0.328 2516 H C -1.082 174.436 175.328 0.317 0.000 1.067 2516 H CA -0.094 56.114 56.048 0.268 0.000 1.447 2516 H CB 0.206 30.078 29.762 0.183 0.000 1.469 2516 H HN 0.340 nan 8.280 nan 0.000 0.544 2517 W N 9.945 131.042 121.300 -0.338 0.000 2.278 2517 W HA 0.305 4.965 4.660 0.000 0.000 0.317 2517 W C -2.768 173.540 176.519 -0.351 0.000 1.030 2517 W CA -3.155 54.040 57.345 -0.251 0.000 1.334 2517 W CB 0.845 30.195 29.460 -0.182 0.000 1.215 2517 W HN 0.582 nan 8.180 nan 0.000 0.405 2518 P HA 0.031 nan 4.420 nan 0.000 0.272 2518 P C -0.451 177.049 177.300 0.334 0.000 1.223 2518 P CA 0.184 63.397 63.100 0.189 0.000 0.784 2518 P CB 1.348 33.172 31.700 0.206 0.000 0.923 2519 E N 1.413 121.688 120.200 0.124 0.000 2.289 2519 E HA 0.019 4.369 4.350 0.000 0.000 0.278 2519 E C -0.729 175.830 176.600 -0.067 0.000 1.032 2519 E CA -0.658 55.595 56.400 -0.245 0.000 0.854 2519 E CB 0.217 29.749 29.700 -0.281 0.000 1.046 2519 E HN 0.352 nan 8.360 nan 0.000 0.409 2520 Y N 6.322 126.502 120.300 -0.200 0.000 2.619 2520 Y HA -0.038 4.512 4.550 0.000 0.000 0.339 2520 Y C -0.040 175.835 175.900 -0.043 0.000 1.224 2520 Y CA -0.039 58.039 58.100 -0.037 0.000 1.946 2520 Y CB -0.864 37.587 38.460 -0.015 0.000 1.957 2520 Y HN 0.508 nan 8.280 nan 0.000 0.421 2521 N N -0.203 118.369 118.700 -0.213 0.000 2.718 2521 N HA 0.052 4.792 4.740 0.000 0.000 0.298 2521 N C 0.933 176.288 175.510 -0.259 0.000 1.369 2521 N CA -0.072 52.871 53.050 -0.178 0.000 0.839 2521 N CB 0.005 38.441 38.487 -0.085 0.000 1.108 2521 N HN 0.180 nan 8.380 nan 0.000 0.489 2522 Q N -0.338 119.376 119.800 -0.145 0.000 2.119 2522 Q HA -0.015 4.325 4.340 0.000 0.000 0.201 2522 Q C 1.474 177.394 176.000 -0.133 0.000 0.972 2522 Q CA 1.447 57.174 55.803 -0.126 0.000 0.847 2522 Q CB -0.493 28.207 28.738 -0.062 0.000 0.903 2522 Q HN 0.504 nan 8.270 nan 0.000 0.433 2523 K N 0.977 121.315 120.400 -0.104 0.000 2.362 2523 K HA -0.077 4.243 4.320 0.000 0.000 0.200 2523 K C 0.172 176.716 176.600 -0.092 0.000 1.046 2523 K CA 0.263 56.514 56.287 -0.061 0.000 0.952 2523 K CB 0.090 32.582 32.500 -0.014 0.000 0.753 2523 K HN 0.251 nan 8.250 nan 0.000 0.466 2524 E N -0.836 119.206 120.200 -0.263 0.000 2.476 2524 E HA -0.162 4.188 4.350 0.000 0.000 0.251 2524 E C -0.039 176.590 176.600 0.048 0.000 1.130 2524 E CA 0.211 56.340 56.400 -0.453 0.000 0.736 2524 E CB -1.851 27.688 29.700 -0.269 0.000 1.298 2524 E HN 0.477 nan 8.360 nan 0.000 0.400 2525 G N 0.799 109.654 108.800 0.092 0.000 2.442 2525 G HA2 0.376 4.336 3.960 0.000 0.000 0.249 2525 G HA3 0.376 4.336 3.960 0.000 0.000 0.249 2525 G C -0.344 174.813 174.900 0.428 0.000 1.263 2525 G CA 0.118 45.349 45.100 0.217 0.000 0.846 2525 G HN 0.297 nan 8.290 nan 0.000 0.555 2526 Y N 0.389 120.823 120.300 0.223 0.000 2.597 2526 Y HA 0.679 5.229 4.550 0.000 0.000 0.340 2526 Y C -1.309 174.594 175.900 0.006 0.000 1.097 2526 Y CA -1.901 56.338 58.100 0.232 0.000 1.037 2526 Y CB 1.589 40.177 38.460 0.215 0.000 1.305 2526 Y HN 0.533 nan 8.280 nan 0.000 0.463 2527 L N 2.881 123.952 121.223 -0.253 0.000 2.292 2527 L HA 0.434 4.774 4.340 0.000 0.000 0.284 2527 L C -0.535 176.134 176.870 -0.335 0.000 1.065 2527 L CA -0.190 54.255 54.840 -0.660 0.000 0.806 2527 L CB 1.489 42.554 42.059 -1.656 0.000 1.175 2527 L HN 0.803 nan 8.230 nan 0.000 0.431 2528 Q N 5.564 125.180 119.800 -0.307 0.000 2.421 2528 Q HA 0.413 4.753 4.340 0.000 0.000 0.242 2528 Q C -0.857 175.064 176.000 -0.132 0.000 1.024 2528 Q CA -0.165 55.579 55.803 -0.099 0.000 0.891 2528 Q CB 0.900 29.579 28.738 -0.098 0.000 1.222 2528 Q HN 0.607 nan 8.270 nan 0.000 0.483 2529 I N 1.736 122.253 120.570 -0.089 0.000 2.472 2529 I HA 0.597 4.767 4.170 0.000 0.000 0.290 2529 I C 0.860 176.836 176.117 -0.235 0.000 1.016 2529 I CA 0.016 61.236 61.300 -0.133 0.000 1.348 2529 I CB 1.265 39.242 38.000 -0.038 0.000 1.417 2529 I HN 0.730 nan 8.210 nan 0.000 0.521 2530 G N 3.066 111.711 108.800 -0.258 0.000 2.351 2530 G HA2 0.270 4.230 3.960 0.000 0.000 0.279 2530 G HA3 0.270 4.230 3.960 0.000 0.000 0.279 2530 G C 0.210 175.001 174.900 -0.181 0.000 1.297 2530 G CA -0.083 44.834 45.100 -0.304 0.000 0.886 2530 G HN 0.615 nan 8.290 nan 0.000 0.493 2531 A N -0.673 122.132 122.820 -0.025 0.000 1.978 2531 A HA 0.095 4.415 4.320 0.000 0.000 0.220 2531 A C 1.029 178.599 177.584 -0.023 0.000 1.170 2531 A CA 1.776 53.821 52.037 0.013 0.000 0.636 2531 A CB -0.328 18.749 19.000 0.129 0.000 0.810 2531 A HN 0.477 nan 8.150 nan 0.000 0.448 2532 N N 0.693 119.376 118.700 -0.028 0.000 2.626 2532 N HA 0.251 4.991 4.740 0.000 0.000 0.242 2532 N C -1.399 174.082 175.510 -0.048 0.000 1.005 2532 N CA 0.066 53.099 53.050 -0.029 0.000 0.905 2532 N CB 1.252 39.727 38.487 -0.020 0.000 1.128 2532 N HN 0.092 nan 8.380 nan 0.000 0.512 2533 T N 3.218 117.746 114.554 -0.043 0.000 2.743 2533 T HA 0.351 4.701 4.350 0.000 0.000 0.293 2533 T C 0.090 174.762 174.700 -0.047 0.000 0.945 2533 T CA -0.488 61.579 62.100 -0.055 0.000 1.030 2533 T CB 0.859 69.719 68.868 -0.013 0.000 0.912 2533 T HN 0.414 nan 8.240 nan 0.000 0.483 2534 Q N 1.722 121.465 119.800 -0.095 0.000 2.527 2534 Q HA 0.617 4.957 4.340 0.000 0.000 0.280 2534 Q C -1.261 174.637 176.000 -0.170 0.000 0.977 2534 Q CA -1.085 54.667 55.803 -0.085 0.000 0.837 2534 Q CB 1.295 30.003 28.738 -0.051 0.000 1.454 2534 Q HN 0.585 nan 8.270 nan 0.000 0.387 2535 A N 1.078 123.814 122.820 -0.140 0.000 2.387 2535 A HA 0.817 5.138 4.320 0.000 0.000 0.251 2535 A C 0.008 177.419 177.584 -0.289 0.000 1.113 2535 A CA 0.690 52.598 52.037 -0.215 0.000 0.794 2535 A CB -0.034 18.928 19.000 -0.063 0.000 1.069 2535 A HN 1.511 nan 8.150 nan 0.000 0.506 2536 A N -0.936 121.623 122.820 -0.435 0.000 2.467 2536 A HA 0.674 4.995 4.320 0.000 0.000 0.301 2536 A C -1.128 176.304 177.584 -0.252 0.000 1.126 2536 A CA -0.579 51.207 52.037 -0.419 0.000 0.632 2536 A CB 0.668 19.265 19.000 -0.673 0.000 1.331 2536 A HN 0.858 nan 8.150 nan 0.000 0.482 2537 Q N 0.040 119.868 119.800 0.047 0.000 2.495 2537 Q HA 0.527 4.867 4.340 0.000 0.000 0.287 2537 Q C -1.365 174.875 176.000 0.400 0.000 1.078 2537 Q CA -1.178 54.777 55.803 0.253 0.000 0.793 2537 Q CB 1.828 30.638 28.738 0.121 0.000 1.459 2537 Q HN 0.647 nan 8.270 nan 0.000 0.422 2538 K N 1.277 121.858 120.400 0.301 0.000 5.163 2538 K HA -0.219 4.101 4.320 0.000 0.000 0.320 2538 K C -0.705 175.997 176.600 0.171 0.000 0.822 2538 K CA 0.048 56.461 56.287 0.211 0.000 0.981 2538 K CB -1.091 31.486 32.500 0.129 0.000 1.877 2538 K HN 0.384 nan 8.250 nan 0.000 0.400 2539 L N 3.008 124.245 121.223 0.022 0.000 2.319 2539 L HA 0.099 4.439 4.340 0.000 0.000 0.280 2539 L C 0.617 177.427 176.870 -0.101 0.000 1.099 2539 L CA 0.331 54.990 54.840 -0.301 0.000 0.828 2539 L CB 0.636 42.197 42.059 -0.829 0.000 1.150 2539 L HN 0.411 nan 8.230 nan 0.000 0.442 2540 K N 2.772 123.142 120.400 -0.050 0.000 3.048 2540 K HA -0.301 4.019 4.320 0.000 0.000 0.274 2540 K C 1.008 177.647 176.600 0.064 0.000 1.098 2540 K CA 1.237 57.538 56.287 0.022 0.000 0.807 2540 K CB -1.404 31.104 32.500 0.012 0.000 1.217 2540 K HN 0.960 nan 8.250 nan 0.000 0.477 2541 D N 1.082 121.522 120.400 0.065 0.000 2.116 2541 D HA -0.167 4.473 4.640 0.000 0.000 0.193 2541 D C 1.485 177.837 176.300 0.087 0.000 0.998 2541 D CA 1.682 55.731 54.000 0.082 0.000 0.836 2541 D CB 0.285 41.133 40.800 0.080 0.000 0.951 2541 D HN 0.482 nan 8.370 nan 0.000 0.449 2542 K N 0.315 120.759 120.400 0.074 0.000 2.009 2542 K HA -0.177 4.143 4.320 0.000 0.000 0.210 2542 K C 2.228 178.902 176.600 0.124 0.000 1.049 2542 K CA 1.414 57.742 56.287 0.067 0.000 0.929 2542 K CB -0.079 32.432 32.500 0.018 0.000 0.714 2542 K HN 0.029 nan 8.250 nan 0.000 0.440 2543 E N 0.564 120.861 120.200 0.161 0.000 2.033 2543 E HA -0.188 4.162 4.350 0.000 0.000 0.199 2543 E C 2.046 178.890 176.600 0.407 0.000 1.011 2543 E CA 1.392 57.995 56.400 0.338 0.000 0.815 2543 E CB -0.590 29.329 29.700 0.365 0.000 0.755 2543 E HN 0.019 nan 8.360 nan 0.000 0.451 2544 V N 1.256 121.320 119.914 0.249 0.000 2.250 2544 V HA -0.367 3.753 4.120 0.000 0.000 0.250 2544 V C 2.241 178.439 176.094 0.172 0.000 1.060 2544 V CA 2.129 64.543 62.300 0.189 0.000 1.030 2544 V CB -1.141 30.751 31.823 0.115 0.000 0.643 2544 V HN 0.402 nan 8.190 nan 0.000 0.445 2545 A N -0.195 122.711 122.820 0.143 0.000 1.859 2545 A HA -0.289 4.031 4.320 0.000 0.000 0.217 2545 A C 2.116 179.754 177.584 0.090 0.000 1.198 2545 A CA 2.379 54.478 52.037 0.103 0.000 0.629 2545 A CB -0.871 18.184 19.000 0.092 0.000 0.830 2545 A HN 0.548 nan 8.150 nan 0.000 0.446 2546 F N -0.723 119.205 119.950 -0.037 0.000 2.025 2546 F HA -0.251 4.276 4.527 0.000 0.000 0.297 2546 F C 2.086 177.767 175.800 -0.198 0.000 1.132 2546 F CA 2.140 60.044 58.000 -0.160 0.000 1.191 2546 F CB -0.864 37.964 39.000 -0.288 0.000 0.963 2546 F HN 0.389 nan 8.300 nan 0.000 0.481 2547 W N 0.650 121.807 121.300 -0.239 0.000 2.350 2547 W HA -0.193 4.467 4.660 0.000 0.000 0.289 2547 W C 2.587 178.832 176.519 -0.456 0.000 1.215 2547 W CA 1.747 58.769 57.345 -0.538 0.000 1.236 2547 W CB -1.120 28.096 29.460 -0.407 0.000 1.130 2547 W HN -0.029 nan 8.180 nan 0.000 0.541 2548 T N -0.097 114.445 114.554 -0.019 0.000 2.746 2548 T HA -0.209 4.141 4.350 0.000 0.000 0.267 2548 T C 1.265 175.955 174.700 -0.016 0.000 1.039 2548 T CA 1.817 63.930 62.100 0.022 0.000 1.142 2548 T CB -0.528 68.365 68.868 0.042 0.000 0.866 2548 T HN 0.321 nan 8.240 nan 0.000 0.444 2549 N N 0.844 119.476 118.700 -0.114 0.000 2.062 2549 N HA -0.039 4.702 4.740 0.000 0.000 0.191 2549 N C 1.819 177.244 175.510 -0.142 0.000 1.042 2549 N CA 0.769 53.748 53.050 -0.118 0.000 0.845 2549 N CB -0.280 38.121 38.487 -0.145 0.000 1.024 2549 N HN 0.096 nan 8.380 nan 0.000 0.424 2550 L N 1.098 122.111 121.223 -0.351 0.000 1.990 2550 L HA -0.153 4.187 4.340 0.000 0.000 0.213 2550 L C 1.776 178.694 176.870 0.080 0.000 1.072 2550 L CA 1.684 56.358 54.840 -0.277 0.000 0.755 2550 L CB -0.865 40.789 42.059 -0.675 0.000 0.889 2550 L HN 0.230 nan 8.230 nan 0.000 0.432 2551 F N -0.647 119.270 119.950 -0.055 0.000 2.333 2551 F HA -0.139 4.388 4.527 0.000 0.000 0.300 2551 F C 2.068 177.865 175.800 -0.005 0.000 1.083 2551 F CA 0.168 58.178 58.000 0.016 0.000 1.395 2551 F CB -0.217 38.813 39.000 0.049 0.000 1.056 2551 F HN 0.288 nan 8.300 nan 0.000 0.529 2552 A N 0.841 123.757 122.820 0.160 0.000 2.268 2552 A HA 0.085 4.405 4.320 0.000 0.000 0.221 2552 A C 0.544 178.157 177.584 0.049 0.000 1.287 2552 A CA 0.013 52.097 52.037 0.078 0.000 0.902 2552 A CB -0.810 18.219 19.000 0.047 0.000 0.877 2552 A HN 0.363 nan 8.150 nan 0.000 0.487 2553 K N 0.000 120.439 120.400 0.065 0.000 2.780 2553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 2553 K CA 0.000 56.314 56.287 0.045 0.000 0.838 2553 K CB 0.000 32.518 32.500 0.030 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543