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 1mx5_1_B DATA FIRST_RESID 2022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK 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 2022 S HA 0.000 nan 4.470 nan 0.000 0.327 2022 S C 0.000 174.670 174.600 0.117 0.000 1.055 2022 S CA 0.000 58.291 58.200 0.151 0.000 1.107 2022 S CB 0.000 63.267 63.200 0.112 0.000 0.593 2023 P HA 0.100 nan 4.420 nan 0.000 0.257 2023 P C -2.614 174.569 177.300 -0.195 0.000 1.144 2023 P CA -0.119 62.890 63.100 -0.151 0.000 0.761 2023 P CB -0.419 31.232 31.700 -0.082 0.000 0.734 2024 P HA 0.192 nan 4.420 nan 0.000 0.286 2024 P C -0.801 176.483 177.300 -0.026 0.000 1.269 2024 P CA -0.042 62.893 63.100 -0.276 0.000 0.787 2024 P CB 0.851 32.201 31.700 -0.583 0.000 0.920 2025 V N 4.035 123.980 119.914 0.051 0.000 2.769 2025 V HA 0.555 4.675 4.120 0.000 0.000 0.312 2025 V C -0.163 175.950 176.094 0.031 0.000 1.061 2025 V CA -0.665 61.693 62.300 0.097 0.000 0.931 2025 V CB 2.528 34.394 31.823 0.070 0.000 1.010 2025 V HN 0.241 nan 8.190 nan 0.000 0.433 2026 V N 2.022 121.920 119.914 -0.027 0.000 2.808 2026 V HA 0.417 4.537 4.120 0.000 0.000 0.308 2026 V C -0.956 175.063 176.094 -0.124 0.000 1.099 2026 V CA -0.803 61.360 62.300 -0.228 0.000 0.920 2026 V CB 2.346 33.707 31.823 -0.769 0.000 1.014 2026 V HN 0.832 nan 8.190 nan 0.000 0.425 2027 D N 3.275 123.604 120.400 -0.118 0.000 2.325 2027 D HA 0.387 5.027 4.640 0.000 0.000 0.251 2027 D C 0.306 176.573 176.300 -0.055 0.000 1.196 2027 D CA 0.269 54.236 54.000 -0.054 0.000 0.866 2027 D CB 1.793 42.553 40.800 -0.066 0.000 1.101 2027 D HN 0.792 nan 8.370 nan 0.000 0.476 2028 T N -1.550 113.028 114.554 0.040 0.000 2.937 2028 T HA 0.245 4.595 4.350 0.000 0.000 0.283 2028 T C 1.548 176.192 174.700 -0.093 0.000 1.012 2028 T CA -0.772 61.371 62.100 0.072 0.000 0.997 2028 T CB 1.089 70.192 68.868 0.390 0.000 1.136 2028 T HN 0.006 nan 8.240 nan 0.000 0.551 2029 V N 1.035 120.826 119.914 -0.205 0.000 2.469 2029 V HA -0.125 3.995 4.120 0.000 0.000 0.251 2029 V C 1.897 177.686 176.094 -0.509 0.000 1.064 2029 V CA 1.588 63.657 62.300 -0.385 0.000 1.066 2029 V CB -1.082 30.423 31.823 -0.531 0.000 0.667 2029 V HN 0.861 nan 8.190 nan 0.000 0.461 2030 H N -0.544 118.379 119.070 -0.243 0.000 2.542 2030 H HA 0.521 5.077 4.556 0.000 0.000 0.283 2030 H C 0.884 175.380 175.328 -1.387 0.000 1.059 2030 H CA 0.885 56.558 56.048 -0.625 0.000 1.162 2030 H CB 0.592 30.057 29.762 -0.494 0.000 1.539 2030 H HN 0.495 nan 8.280 nan 0.000 0.543 2031 G N 0.728 109.065 108.800 -0.770 0.000 2.340 2031 G HA2 -0.075 3.885 3.960 0.000 0.000 0.527 2031 G HA3 -0.075 3.885 3.960 0.000 0.000 0.527 2031 G C -1.259 173.693 174.900 0.087 0.000 1.381 2031 G CA -1.200 43.465 45.100 -0.725 0.000 1.001 2031 G HN 0.057 nan 8.290 nan 0.000 0.626 2032 K N -0.453 120.119 120.400 0.288 0.000 2.270 2032 K HA 0.564 4.884 4.320 0.000 0.000 0.276 2032 K C 0.406 177.323 176.600 0.528 0.000 1.023 2032 K CA -0.375 56.119 56.287 0.345 0.000 0.955 2032 K CB 1.741 34.373 32.500 0.221 0.000 0.975 2032 K HN 1.099 nan 8.250 nan 0.000 0.471 2033 V N 0.561 120.693 119.914 0.364 0.000 2.735 2033 V HA 0.504 4.624 4.120 0.000 0.000 0.310 2033 V C -0.932 175.347 176.094 0.309 0.000 1.061 2033 V CA -1.141 61.355 62.300 0.328 0.000 0.913 2033 V CB 1.793 33.839 31.823 0.372 0.000 1.005 2033 V HN 0.593 nan 8.190 nan 0.000 0.428 2034 L N 4.210 125.585 121.223 0.254 0.000 2.313 2034 L HA 0.923 5.263 4.340 0.000 0.000 0.283 2034 L C 0.253 177.184 176.870 0.102 0.000 1.013 2034 L CA 0.553 55.499 54.840 0.176 0.000 0.816 2034 L CB 0.961 43.061 42.059 0.069 0.000 1.236 2034 L HN 1.065 nan 8.230 nan 0.000 0.419 2035 G N 4.965 113.694 108.800 -0.118 0.000 3.107 2035 G HA2 0.614 4.574 3.960 0.000 0.000 0.232 2035 G HA3 0.614 4.574 3.960 0.000 0.000 0.232 2035 G C -1.271 173.289 174.900 -0.566 0.000 1.339 2035 G CA -0.562 44.162 45.100 -0.627 0.000 1.033 2035 G HN 0.702 nan 8.290 nan 0.000 0.567 2036 K N -1.142 118.887 120.400 -0.618 0.000 2.435 2036 K HA 0.592 4.912 4.320 0.000 0.000 0.251 2036 K C -1.693 174.701 176.600 -0.344 0.000 0.954 2036 K CA -0.843 55.197 56.287 -0.412 0.000 0.820 2036 K CB 2.202 34.564 32.500 -0.230 0.000 1.292 2036 K HN 0.318 nan 8.250 nan 0.000 0.436 2037 F N 1.450 121.330 119.950 -0.117 0.000 2.404 2037 F HA 0.376 4.903 4.527 0.000 0.000 0.345 2037 F C -0.314 175.467 175.800 -0.032 0.000 1.110 2037 F CA -0.968 56.994 58.000 -0.064 0.000 1.130 2037 F CB 1.967 40.950 39.000 -0.028 0.000 1.129 2037 F HN 0.089 nan 8.300 nan 0.000 0.500 2038 V N 2.944 122.992 119.914 0.224 0.000 2.577 2038 V HA 0.296 4.416 4.120 0.000 0.000 0.303 2038 V C -0.506 175.659 176.094 0.119 0.000 1.042 2038 V CA -0.733 61.649 62.300 0.138 0.000 0.872 2038 V CB 1.889 33.784 31.823 0.120 0.000 0.998 2038 V HN 0.709 nan 8.190 nan 0.000 0.423 2039 S N 4.313 120.069 115.700 0.093 0.000 2.525 2039 S HA 0.724 5.194 4.470 0.000 0.000 0.290 2039 S C -0.561 174.097 174.600 0.098 0.000 1.152 2039 S CA -0.380 57.870 58.200 0.083 0.000 1.072 2039 S CB 1.494 64.735 63.200 0.069 0.000 1.027 2039 S HN 0.578 nan 8.310 nan 0.000 0.500 2040 L N 3.110 124.395 121.223 0.104 0.000 2.325 2040 L HA 0.453 4.793 4.340 0.000 0.000 0.278 2040 L C -0.242 176.773 176.870 0.243 0.000 1.023 2040 L CA -0.352 54.562 54.840 0.124 0.000 0.811 2040 L CB 0.704 42.761 42.059 -0.004 0.000 1.249 2040 L HN 0.709 nan 8.230 nan 0.000 0.431 2041 E N 3.601 123.939 120.200 0.230 0.000 3.326 2041 E HA 0.029 4.379 4.350 0.000 0.000 0.285 2041 E C 1.175 177.918 176.600 0.237 0.000 0.864 2041 E CA 0.970 57.502 56.400 0.221 0.000 0.984 2041 E CB -0.291 29.552 29.700 0.238 0.000 0.952 2041 E HN 0.990 nan 8.360 nan 0.000 0.525 2042 G N 2.489 111.344 108.800 0.091 0.000 2.343 2042 G HA2 -0.367 3.593 3.960 0.000 0.000 0.264 2042 G HA3 -0.367 3.593 3.960 0.000 0.000 0.264 2042 G C 0.045 174.834 174.900 -0.186 0.000 0.989 2042 G CA 0.544 45.608 45.100 -0.060 0.000 0.627 2042 G HN 0.453 nan 8.290 nan 0.000 0.549 2043 F N 1.032 120.950 119.950 -0.053 0.000 2.438 2043 F HA 0.621 5.148 4.527 0.000 0.000 0.356 2043 F C 1.483 177.250 175.800 -0.055 0.000 1.099 2043 F CA -0.002 57.955 58.000 -0.072 0.000 1.185 2043 F CB 1.376 40.318 39.000 -0.096 0.000 1.115 2043 F HN 0.108 nan 8.300 nan 0.000 0.526 2044 A N 2.284 125.130 122.820 0.043 0.000 1.874 2044 A HA -0.097 4.223 4.320 0.000 0.000 0.214 2044 A C 1.156 178.748 177.584 0.013 0.000 1.189 2044 A CA 0.470 52.512 52.037 0.009 0.000 0.615 2044 A CB -0.547 18.436 19.000 -0.028 0.000 0.830 2044 A HN 0.629 nan 8.150 nan 0.000 0.443 2045 Q N 1.803 121.631 119.800 0.046 0.000 2.244 2045 Q HA 0.194 4.534 4.340 0.000 0.000 0.276 2045 Q C -2.392 173.609 176.000 0.000 0.000 1.122 2045 Q CA -2.037 53.773 55.803 0.012 0.000 0.920 2045 Q CB 0.225 28.996 28.738 0.055 0.000 1.186 2045 Q HN 0.381 nan 8.270 nan 0.000 0.393 2046 P HA 0.077 nan 4.420 nan 0.000 0.278 2046 P C -0.958 176.353 177.300 0.018 0.000 1.238 2046 P CA -0.347 62.687 63.100 -0.110 0.000 0.794 2046 P CB 1.059 32.530 31.700 -0.381 0.000 0.955 2047 V N 2.518 122.510 119.914 0.131 0.000 2.406 2047 V HA 0.357 4.477 4.120 0.000 0.000 0.272 2047 V C 0.901 177.199 176.094 0.341 0.000 1.043 2047 V CA -0.582 61.847 62.300 0.214 0.000 0.915 2047 V CB 0.567 32.497 31.823 0.179 0.000 0.988 2047 V HN 0.725 nan 8.190 nan 0.000 0.466 2048 A N 7.250 130.303 122.820 0.388 0.000 2.302 2048 A HA 0.680 5.000 4.320 0.000 0.000 0.295 2048 A C -0.292 177.285 177.584 -0.013 0.000 1.235 2048 A CA -0.218 51.936 52.037 0.194 0.000 0.876 2048 A CB -0.196 18.987 19.000 0.304 0.000 1.133 2048 A HN 0.787 nan 8.150 nan 0.000 0.533 2049 I N 2.346 122.720 120.570 -0.328 0.000 2.377 2049 I HA 0.437 4.607 4.170 0.000 0.000 0.293 2049 I C -1.170 174.523 176.117 -0.705 0.000 0.987 2049 I CA -0.323 60.739 61.300 -0.396 0.000 1.185 2049 I CB 1.556 39.380 38.000 -0.293 0.000 1.341 2049 I HN 0.547 nan 8.210 nan 0.000 0.455 2050 F N 6.450 126.284 119.950 -0.193 0.000 2.499 2050 F HA 0.516 5.043 4.527 0.000 0.000 0.333 2050 F C -0.424 175.251 175.800 -0.209 0.000 1.138 2050 F CA -0.553 57.378 58.000 -0.115 0.000 0.945 2050 F CB 1.274 40.322 39.000 0.080 0.000 1.181 2050 F HN 0.085 nan 8.300 nan 0.000 0.435 2051 L N 2.708 123.868 121.223 -0.105 0.000 2.322 2051 L HA 0.731 5.071 4.340 0.000 0.000 0.281 2051 L C 0.662 177.467 176.870 -0.108 0.000 1.014 2051 L CA -1.037 53.708 54.840 -0.158 0.000 0.815 2051 L CB 1.640 43.476 42.059 -0.371 0.000 1.247 2051 L HN 0.890 nan 8.230 nan 0.000 0.421 2052 G N 3.698 112.461 108.800 -0.061 0.000 2.326 2052 G HA2 -0.228 3.732 3.960 0.000 0.000 0.286 2052 G HA3 -0.228 3.732 3.960 0.000 0.000 0.286 2052 G C -0.411 174.523 174.900 0.058 0.000 1.096 2052 G CA -0.427 44.608 45.100 -0.109 0.000 1.003 2052 G HN 0.493 nan 8.290 nan 0.000 0.503 2053 I N 2.194 122.831 120.570 0.110 0.000 2.331 2053 I HA 0.292 4.462 4.170 0.000 0.000 0.292 2053 I C -1.487 174.638 176.117 0.014 0.000 0.998 2053 I CA -2.459 58.862 61.300 0.034 0.000 1.267 2053 I CB 1.747 39.684 38.000 -0.105 0.000 1.386 2053 I HN 0.044 nan 8.210 nan 0.000 0.476 2054 P HA 0.053 nan 4.420 nan 0.000 0.276 2054 P C -0.337 176.785 177.300 -0.297 0.000 1.230 2054 P CA 0.043 62.908 63.100 -0.393 0.000 0.776 2054 P CB 0.660 32.176 31.700 -0.307 0.000 0.888 2055 F N 0.664 120.370 119.950 -0.406 0.000 2.746 2055 F HA 0.735 5.262 4.527 0.000 0.000 0.320 2055 F C -0.056 175.705 175.800 -0.065 0.000 1.097 2055 F CA -0.794 57.009 58.000 -0.328 0.000 1.195 2055 F CB 0.114 38.840 39.000 -0.457 0.000 1.056 2055 F HN 0.394 nan 8.300 nan 0.000 0.562 2056 A N 0.674 123.179 122.820 -0.525 0.000 2.602 2056 A HA 0.532 4.852 4.320 0.000 0.000 0.290 2056 A C -1.268 176.099 177.584 -0.361 0.000 1.114 2056 A CA -1.065 50.766 52.037 -0.344 0.000 0.683 2056 A CB 1.068 19.825 19.000 -0.405 0.000 1.281 2056 A HN 0.181 nan 8.150 nan 0.000 0.416 2057 K N 0.649 120.916 120.400 -0.222 0.000 2.270 2057 K HA 0.399 4.719 4.320 0.000 0.000 0.276 2057 K C -2.445 174.018 176.600 -0.229 0.000 1.023 2057 K CA -1.572 54.600 56.287 -0.192 0.000 0.955 2057 K CB 0.374 32.803 32.500 -0.117 0.000 0.975 2057 K HN 0.305 nan 8.250 nan 0.000 0.471 2058 P HA -0.027 nan 4.420 nan 0.000 0.258 2058 P C -2.385 174.816 177.300 -0.164 0.000 1.187 2058 P CA -0.770 62.210 63.100 -0.200 0.000 0.767 2058 P CB 0.189 31.806 31.700 -0.138 0.000 0.770 2059 P HA 0.020 nan 4.420 nan 0.000 0.231 2059 P C -0.641 176.569 177.300 -0.151 0.000 1.756 2059 P CA 0.539 63.541 63.100 -0.164 0.000 0.990 2059 P CB -0.051 31.548 31.700 -0.169 0.000 1.973 2060 L N -0.282 120.866 121.223 -0.125 0.000 2.352 2060 L HA 0.610 4.950 4.340 0.000 0.000 0.269 2060 L C 1.655 178.468 176.870 -0.095 0.000 1.034 2060 L CA -0.467 54.311 54.840 -0.102 0.000 0.806 2060 L CB 0.716 42.727 42.059 -0.080 0.000 1.244 2060 L HN 0.277 nan 8.230 nan 0.000 0.447 2061 G N 1.643 110.393 108.800 -0.083 0.000 2.660 2061 G HA2 -0.301 3.659 3.960 0.000 0.000 0.321 2061 G HA3 -0.301 3.659 3.960 0.000 0.000 0.321 2061 G C -1.558 173.294 174.900 -0.079 0.000 1.246 2061 G CA 0.442 45.500 45.100 -0.070 0.000 1.000 2061 G HN 0.588 nan 8.290 nan 0.000 0.550 2062 P HA 0.011 nan 4.420 nan 0.000 0.217 2062 P C 2.069 179.325 177.300 -0.073 0.000 1.148 2062 P CA 1.423 64.502 63.100 -0.035 0.000 0.828 2062 P CB -0.163 31.528 31.700 -0.014 0.000 0.783 2063 L N -1.663 119.500 121.223 -0.101 0.000 2.549 2063 L HA -0.054 4.286 4.340 0.000 0.000 0.229 2063 L C 1.603 178.332 176.870 -0.234 0.000 1.158 2063 L CA 0.152 54.907 54.840 -0.142 0.000 0.842 2063 L CB -0.554 41.431 42.059 -0.123 0.000 0.952 2063 L HN -0.010 nan 8.230 nan 0.000 0.452 2064 R N 0.523 120.862 120.500 -0.268 0.000 2.590 2064 R HA -0.015 4.325 4.340 0.000 0.000 0.274 2064 R C -0.184 175.794 176.300 -0.536 0.000 1.061 2064 R CA -0.204 55.607 56.100 -0.483 0.000 1.081 2064 R CB 0.264 30.221 30.300 -0.572 0.000 0.984 2064 R HN 0.043 nan 8.270 nan 0.000 0.448 2065 F N 0.098 119.678 119.950 -0.617 0.000 3.080 2065 F HA -0.260 4.267 4.527 0.000 0.000 0.292 2065 F C 0.016 174.819 175.800 -1.662 0.000 0.891 2065 F CA 1.488 58.789 58.000 -1.165 0.000 1.086 2065 F CB -2.457 36.333 39.000 -0.349 0.000 1.095 2065 F HN 0.657 nan 8.300 nan 0.000 0.633 2066 T N -3.402 110.399 114.554 -1.255 0.000 2.894 2066 T HA 0.736 5.086 4.350 0.000 0.000 0.309 2066 T C -3.027 171.450 174.700 -0.371 0.000 1.208 2066 T CA -2.422 59.212 62.100 -0.777 0.000 1.016 2066 T CB 3.259 71.948 68.868 -0.298 0.000 1.192 2066 T HN -0.244 nan 8.240 nan 0.000 0.491 2067 P HA 0.174 nan 4.420 nan 0.000 0.265 2067 P C -2.273 175.080 177.300 0.088 0.000 1.187 2067 P CA -0.612 62.609 63.100 0.203 0.000 0.766 2067 P CB -0.321 31.510 31.700 0.219 0.000 0.820 2068 P HA -0.032 nan 4.420 nan 0.000 0.266 2068 P C -0.732 176.606 177.300 0.063 0.000 1.195 2068 P CA 0.445 63.588 63.100 0.072 0.000 0.768 2068 P CB 0.738 32.528 31.700 0.150 0.000 0.838 2069 Q N 2.568 122.374 119.800 0.011 0.000 2.306 2069 Q HA 0.423 4.763 4.340 0.000 0.000 0.265 2069 Q C -2.370 173.641 176.000 0.018 0.000 1.022 2069 Q CA -2.284 53.530 55.803 0.018 0.000 0.853 2069 Q CB 1.025 29.756 28.738 -0.012 0.000 1.327 2069 Q HN 0.333 nan 8.270 nan 0.000 0.449 2070 P HA -0.067 nan 4.420 nan 0.000 0.264 2070 P C -0.956 176.308 177.300 -0.060 0.000 1.183 2070 P CA 0.412 63.550 63.100 0.064 0.000 0.763 2070 P CB 0.421 32.184 31.700 0.106 0.000 0.807 2071 A N 3.407 126.141 122.820 -0.142 0.000 2.366 2071 A HA 0.172 4.492 4.320 0.000 0.000 0.249 2071 A C 0.394 177.755 177.584 -0.372 0.000 1.084 2071 A CA -0.272 51.629 52.037 -0.228 0.000 0.794 2071 A CB 0.039 18.952 19.000 -0.146 0.000 1.034 2071 A HN 0.466 nan 8.150 nan 0.000 0.491 2072 E N 1.811 121.915 120.200 -0.160 0.000 2.301 2072 E HA 0.332 4.682 4.350 0.000 0.000 0.275 2072 E C -2.354 174.229 176.600 -0.029 0.000 1.030 2072 E CA -1.709 54.634 56.400 -0.095 0.000 0.852 2072 E CB 0.442 30.138 29.700 -0.007 0.000 1.060 2072 E HN 0.484 nan 8.360 nan 0.000 0.401 2073 P HA 0.133 nan 4.420 nan 0.000 0.275 2073 P C -0.894 176.380 177.300 -0.044 0.000 1.227 2073 P CA -0.365 62.632 63.100 -0.171 0.000 0.781 2073 P CB 0.269 31.891 31.700 -0.130 0.000 0.906 2074 W N 1.226 122.548 121.300 0.036 0.000 2.570 2074 W HA 0.569 5.229 4.660 0.000 0.000 0.337 2074 W C 0.833 177.307 176.519 -0.075 0.000 1.067 2074 W CA -0.649 56.694 57.345 -0.003 0.000 1.229 2074 W CB -0.288 29.197 29.460 0.041 0.000 1.355 2074 W HN 0.168 nan 8.180 nan 0.000 0.555 2075 S N 1.064 116.741 115.700 -0.037 0.000 2.338 2075 S HA -0.077 4.393 4.470 0.000 0.000 0.218 2075 S C 0.793 175.098 174.600 -0.492 0.000 1.032 2075 S CA 1.030 58.964 58.200 -0.443 0.000 0.999 2075 S CB -0.437 62.252 63.200 -0.852 0.000 0.905 2075 S HN 0.457 nan 8.310 nan 0.000 0.439 2076 F N 0.393 120.468 119.950 0.208 0.000 2.537 2076 F HA 0.439 4.966 4.527 0.000 0.000 0.232 2076 F C 0.447 176.415 175.800 0.280 0.000 1.007 2076 F CA -1.033 57.076 58.000 0.182 0.000 1.042 2076 F CB -0.497 38.577 39.000 0.123 0.000 2.119 2076 F HN -0.222 nan 8.300 nan 0.000 0.625 2077 V N 1.246 121.424 119.914 0.439 0.000 2.406 2077 V HA 0.163 4.283 4.120 0.000 0.000 0.272 2077 V C -0.121 176.116 176.094 0.238 0.000 1.043 2077 V CA -0.893 61.601 62.300 0.322 0.000 0.915 2077 V CB 0.811 32.758 31.823 0.207 0.000 0.988 2077 V HN 0.393 nan 8.190 nan 0.000 0.466 2078 K N 4.916 125.425 120.400 0.183 0.000 2.276 2078 K HA 0.191 4.511 4.320 0.000 0.000 0.285 2078 K C 0.181 176.759 176.600 -0.038 0.000 1.062 2078 K CA -0.510 55.706 56.287 -0.119 0.000 0.918 2078 K CB 0.388 32.456 32.500 -0.720 0.000 1.055 2078 K HN 0.657 nan 8.250 nan 0.000 0.477 2079 N N 3.330 122.000 118.700 -0.050 0.000 2.431 2079 N HA 0.059 4.799 4.740 0.000 0.000 0.265 2079 N C -1.248 174.223 175.510 -0.064 0.000 1.184 2079 N CA -0.007 53.021 53.050 -0.037 0.000 0.943 2079 N CB 1.101 39.559 38.487 -0.048 0.000 1.080 2079 N HN 0.600 nan 8.380 nan 0.000 0.477 2080 A N 3.039 125.848 122.820 -0.019 0.000 3.215 2080 A HA 0.261 4.581 4.320 0.000 0.000 0.320 2080 A C 0.709 178.233 177.584 -0.100 0.000 1.084 2080 A CA -0.509 51.511 52.037 -0.029 0.000 0.969 2080 A CB -0.535 18.537 19.000 0.120 0.000 1.064 2080 A HN 0.674 nan 8.150 nan 0.000 0.513 2081 T N -2.605 111.858 114.554 -0.150 0.000 3.145 2081 T HA 0.347 4.697 4.350 0.000 0.000 0.281 2081 T C 0.375 174.922 174.700 -0.255 0.000 1.003 2081 T CA 0.408 62.384 62.100 -0.208 0.000 0.901 2081 T CB -0.472 68.297 68.868 -0.166 0.000 1.112 2081 T HN 0.731 nan 8.240 nan 0.000 0.535 2082 S N 0.442 115.991 115.700 -0.252 0.000 2.526 2082 S HA 0.692 5.162 4.470 0.000 0.000 0.293 2082 S C -0.991 173.451 174.600 -0.264 0.000 1.092 2082 S CA -0.943 57.108 58.200 -0.248 0.000 0.980 2082 S CB 0.816 63.926 63.200 -0.149 0.000 1.048 2082 S HN 0.204 nan 8.310 nan 0.000 0.483 2083 Y N 2.885 123.120 120.300 -0.108 0.000 2.511 2083 Y HA 0.303 4.854 4.550 0.000 0.000 0.332 2083 Y C -1.475 174.317 175.900 -0.181 0.000 1.177 2083 Y CA -1.025 57.007 58.100 -0.113 0.000 1.422 2083 Y CB 0.125 38.540 38.460 -0.075 0.000 1.271 2083 Y HN 0.524 nan 8.280 nan 0.000 0.550 2084 P HA 0.215 nan 4.420 nan 0.000 0.276 2084 P C -2.721 174.496 177.300 -0.138 0.000 1.252 2084 P CA -1.710 61.233 63.100 -0.262 0.000 0.802 2084 P CB 0.694 32.185 31.700 -0.348 0.000 1.035 2085 P HA 0.243 nan 4.420 nan 0.000 0.274 2085 P C -0.074 177.173 177.300 -0.089 0.000 1.237 2085 P CA -0.199 62.833 63.100 -0.114 0.000 0.793 2085 P CB 0.266 31.895 31.700 -0.118 0.000 0.977 2086 M N -0.083 119.453 119.600 -0.106 0.000 2.342 2086 M HA 0.442 4.922 4.480 0.000 0.000 0.332 2086 M C -0.606 175.605 176.300 -0.150 0.000 1.166 2086 M CA -0.611 54.619 55.300 -0.117 0.000 1.086 2086 M CB 0.435 32.953 32.600 -0.137 0.000 1.541 2086 M HN 0.123 nan 8.290 nan 0.000 0.462 2087 c N 1.978 120.483 118.600 -0.159 0.000 2.641 2087 c HA 0.095 4.665 4.570 0.000 0.000 0.412 2087 c C 1.002 174.902 174.090 -0.317 0.000 1.312 2087 c CA -0.096 56.089 56.329 -0.240 0.000 1.838 2087 c CB -0.520 41.875 42.510 -0.191 0.000 2.682 2087 c HN 0.864 nan 8.230 nan 0.000 0.627 2088 T N 4.618 118.826 114.554 -0.577 0.000 2.891 2088 T HA 0.268 4.618 4.350 0.000 0.000 0.296 2088 T C 0.076 174.563 174.700 -0.355 0.000 1.025 2088 T CA 0.472 62.172 62.100 -0.666 0.000 1.149 2088 T CB -0.123 67.858 68.868 -1.478 0.000 1.007 2088 T HN 0.893 nan 8.240 nan 0.000 0.528 2089 Q N 0.933 120.664 119.800 -0.115 0.000 2.869 2089 Q HA 0.311 4.651 4.340 0.000 0.000 0.322 2089 Q C -1.650 174.390 176.000 0.067 0.000 0.832 2089 Q CA -1.131 54.706 55.803 0.056 0.000 0.791 2089 Q CB 0.797 29.549 28.738 0.023 0.000 1.412 2089 Q HN 0.370 nan 8.270 nan 0.000 0.483 2090 D N 1.301 121.756 120.400 0.093 0.000 2.349 2090 D HA 0.130 4.770 4.640 0.000 0.000 0.266 2090 D C -1.640 174.675 176.300 0.025 0.000 1.293 2090 D CA -1.536 52.507 54.000 0.072 0.000 0.926 2090 D CB 1.061 41.910 40.800 0.081 0.000 1.090 2090 D HN 0.219 nan 8.370 nan 0.000 0.502 2091 P HA -0.208 nan 4.420 nan 0.000 0.216 2091 P C 1.326 178.616 177.300 -0.016 0.000 1.157 2091 P CA 1.444 64.535 63.100 -0.014 0.000 0.880 2091 P CB 0.298 31.991 31.700 -0.012 0.000 0.791 2092 K N -0.543 119.854 120.400 -0.005 0.000 1.965 2092 K HA -0.146 4.174 4.320 0.000 0.000 0.214 2092 K C 2.120 178.710 176.600 -0.017 0.000 1.046 2092 K CA 1.724 58.005 56.287 -0.009 0.000 0.944 2092 K CB -0.874 31.625 32.500 -0.001 0.000 0.726 2092 K HN -0.058 nan 8.250 nan 0.000 0.441 2093 A N 0.653 123.467 122.820 -0.009 0.000 1.948 2093 A HA -0.154 4.166 4.320 0.000 0.000 0.220 2093 A C 2.316 179.877 177.584 -0.039 0.000 1.177 2093 A CA 2.241 54.266 52.037 -0.020 0.000 0.636 2093 A CB -1.343 17.660 19.000 0.004 0.000 0.815 2093 A HN 0.633 nan 8.150 nan 0.000 0.449 2094 G N -1.113 107.669 108.800 -0.030 0.000 2.418 2094 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 2094 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 2094 G C 1.636 176.494 174.900 -0.070 0.000 1.158 2094 G CA 1.100 46.172 45.100 -0.048 0.000 0.771 2094 G HN 0.657 nan 8.290 nan 0.000 0.545 2095 Q N -0.528 119.236 119.800 -0.061 0.000 2.046 2095 Q HA -0.052 4.288 4.340 0.000 0.000 0.200 2095 Q C 2.456 178.417 176.000 -0.065 0.000 0.975 2095 Q CA 1.159 56.922 55.803 -0.065 0.000 0.836 2095 Q CB -0.259 28.449 28.738 -0.050 0.000 0.896 2095 Q HN 0.350 nan 8.270 nan 0.000 0.428 2096 L N 0.827 122.016 121.223 -0.056 0.000 2.013 2096 L HA -0.199 4.141 4.340 0.000 0.000 0.212 2096 L C 2.185 179.001 176.870 -0.089 0.000 1.073 2096 L CA 1.710 56.519 54.840 -0.053 0.000 0.753 2096 L CB -0.881 41.148 42.059 -0.050 0.000 0.890 2096 L HN 0.436 nan 8.230 nan 0.000 0.432 2097 L N -1.231 119.907 121.223 -0.142 0.000 2.093 2097 L HA -0.139 4.201 4.340 0.000 0.000 0.208 2097 L C 2.634 179.374 176.870 -0.216 0.000 1.085 2097 L CA 2.032 56.715 54.840 -0.262 0.000 0.755 2097 L CB -0.878 41.017 42.059 -0.274 0.000 0.904 2097 L HN 0.429 nan 8.230 nan 0.000 0.435 2098 S N -0.990 114.625 115.700 -0.142 0.000 2.402 2098 S HA -0.164 4.306 4.470 0.000 0.000 0.229 2098 S C 1.837 176.372 174.600 -0.110 0.000 1.021 2098 S CA 1.364 59.477 58.200 -0.145 0.000 0.974 2098 S CB -0.220 62.891 63.200 -0.147 0.000 0.800 2098 S HN 0.637 nan 8.310 nan 0.000 0.484 2099 E N 0.301 120.465 120.200 -0.061 0.000 2.112 2099 E HA 0.008 4.358 4.350 0.000 0.000 0.190 2099 E C 1.984 178.634 176.600 0.082 0.000 0.979 2099 E CA 0.896 57.293 56.400 -0.006 0.000 0.814 2099 E CB -0.120 29.583 29.700 0.005 0.000 0.762 2099 E HN 0.474 nan 8.360 nan 0.000 0.460 2100 L N -0.255 121.032 121.223 0.107 0.000 2.179 2100 L HA -0.069 4.271 4.340 0.000 0.000 0.208 2100 L C 1.837 179.040 176.870 0.554 0.000 1.096 2100 L CA 0.584 55.596 54.840 0.287 0.000 0.779 2100 L CB -0.013 42.173 42.059 0.212 0.000 0.922 2100 L HN 0.102 nan 8.230 nan 0.000 0.443 2101 F N -0.881 119.069 119.950 -0.000 0.000 2.656 2101 F HA 0.125 4.652 4.527 0.000 0.000 0.291 2101 F C 1.718 177.241 175.800 -0.461 0.000 1.122 2101 F CA -0.431 57.452 58.000 -0.196 0.000 1.427 2101 F CB -0.692 38.194 39.000 -0.190 0.000 1.125 2101 F HN -0.152 nan 8.300 nan 0.000 0.583 2102 T N 1.727 116.169 114.554 -0.186 0.000 2.855 2102 T HA -0.039 4.311 4.350 0.000 0.000 0.322 2102 T C 1.162 175.716 174.700 -0.244 0.000 1.088 2102 T CA 0.276 62.165 62.100 -0.351 0.000 1.104 2102 T CB 0.302 69.027 68.868 -0.238 0.000 0.996 2102 T HN 0.428 nan 8.240 nan 0.000 0.549 2103 N N 2.300 120.812 118.700 -0.314 0.000 2.143 2103 N HA 0.054 4.795 4.740 0.000 0.000 0.222 2103 N C 0.236 175.645 175.510 -0.169 0.000 1.264 2103 N CA -0.501 52.411 53.050 -0.229 0.000 0.897 2103 N CB 0.262 38.584 38.487 -0.275 0.000 1.092 2103 N HN 0.683 nan 8.380 nan 0.000 0.516 2104 R N 0.308 120.721 120.500 -0.144 0.000 2.546 2104 R HA 0.362 4.702 4.340 0.000 0.000 0.266 2104 R C 1.017 177.289 176.300 -0.047 0.000 1.086 2104 R CA -0.783 55.270 56.100 -0.079 0.000 1.160 2104 R CB 1.497 31.754 30.300 -0.071 0.000 1.138 2104 R HN -0.186 nan 8.270 nan 0.000 0.567 2105 K N 0.366 120.759 120.400 -0.010 0.000 1.969 2105 K HA -0.181 4.139 4.320 0.000 0.000 0.216 2105 K C 0.228 176.830 176.600 0.004 0.000 1.048 2105 K CA 1.656 57.950 56.287 0.011 0.000 0.948 2105 K CB -0.036 32.480 32.500 0.027 0.000 0.726 2105 K HN 0.663 nan 8.250 nan 0.000 0.442 2106 E N 0.786 120.984 120.200 -0.004 0.000 2.214 2106 E HA 0.071 4.421 4.350 0.000 0.000 0.274 2106 E C -1.234 175.339 176.600 -0.045 0.000 0.977 2106 E CA -0.581 55.811 56.400 -0.014 0.000 0.827 2106 E CB 1.106 30.802 29.700 -0.006 0.000 1.130 2106 E HN 0.279 nan 8.360 nan 0.000 0.394 2107 N N 3.914 122.582 118.700 -0.053 0.000 2.520 2107 N HA 0.146 4.886 4.740 0.000 0.000 0.273 2107 N C -0.001 175.445 175.510 -0.107 0.000 1.155 2107 N CA -0.418 52.576 53.050 -0.093 0.000 0.967 2107 N CB 0.582 39.021 38.487 -0.079 0.000 1.092 2107 N HN 0.408 nan 8.380 nan 0.000 0.457 2108 I N 1.151 121.617 120.570 -0.172 0.000 2.440 2108 I HA 0.509 4.679 4.170 0.000 0.000 0.294 2108 I C -2.220 173.798 176.117 -0.164 0.000 0.995 2108 I CA -2.059 59.131 61.300 -0.184 0.000 1.306 2108 I CB 1.323 39.115 38.000 -0.347 0.000 1.407 2108 I HN 0.376 nan 8.210 nan 0.000 0.501 2109 P HA 0.343 nan 4.420 nan 0.000 0.276 2109 P C -1.092 176.147 177.300 -0.102 0.000 1.230 2109 P CA -0.165 62.882 63.100 -0.089 0.000 0.776 2109 P CB 1.688 33.354 31.700 -0.057 0.000 0.888 2110 L N 2.408 123.571 121.223 -0.101 0.000 2.333 2110 L HA 0.497 4.837 4.340 0.000 0.000 0.269 2110 L C 0.740 177.560 176.870 -0.083 0.000 1.010 2110 L CA -1.064 53.716 54.840 -0.100 0.000 0.818 2110 L CB 2.138 44.124 42.059 -0.123 0.000 1.306 2110 L HN 0.268 nan 8.230 nan 0.000 0.430 2111 K N 2.069 122.420 120.400 -0.082 0.000 2.118 2111 K HA 0.627 4.947 4.320 0.000 0.000 0.254 2111 K C -1.069 175.471 176.600 -0.101 0.000 0.961 2111 K CA -0.731 55.506 56.287 -0.083 0.000 0.876 2111 K CB 1.960 34.412 32.500 -0.079 0.000 1.077 2111 K HN 0.377 nan 8.250 nan 0.000 0.440 2112 L N 0.901 122.061 121.223 -0.105 0.000 2.334 2112 L HA 0.475 4.815 4.340 0.000 0.000 0.275 2112 L C 0.108 176.886 176.870 -0.154 0.000 1.036 2112 L CA -0.398 54.358 54.840 -0.139 0.000 0.807 2112 L CB 1.707 43.685 42.059 -0.135 0.000 1.231 2112 L HN 0.669 nan 8.230 nan 0.000 0.438 2113 S N 0.226 115.801 115.700 -0.208 0.000 2.622 2113 S HA 0.167 4.637 4.470 0.000 0.000 0.275 2113 S C -0.153 174.268 174.600 -0.298 0.000 1.112 2113 S CA -0.586 57.489 58.200 -0.208 0.000 0.837 2113 S CB 1.394 64.516 63.200 -0.130 0.000 1.082 2113 S HN 0.747 nan 8.310 nan 0.000 0.456 2114 E N 0.682 120.701 120.200 -0.301 0.000 2.371 2114 E HA 0.026 4.376 4.350 0.000 0.000 0.194 2114 E C -0.373 176.099 176.600 -0.213 0.000 1.012 2114 E CA 0.223 56.406 56.400 -0.362 0.000 0.860 2114 E CB 0.156 29.686 29.700 -0.284 0.000 0.811 2114 E HN 0.478 nan 8.360 nan 0.000 0.502 2115 D N 0.544 120.863 120.400 -0.135 0.000 2.619 2115 D HA 0.001 4.641 4.640 0.000 0.000 0.224 2115 D C 0.093 176.441 176.300 0.080 0.000 1.133 2115 D CA -0.284 53.688 54.000 -0.048 0.000 1.017 2115 D CB -0.183 40.614 40.800 -0.005 0.000 1.077 2115 D HN 0.179 nan 8.370 nan 0.000 0.503 2116 c N 1.257 119.858 118.600 0.002 0.000 3.525 2116 c HA 0.394 4.964 4.570 0.000 0.000 0.289 2116 c C 1.022 175.152 174.090 0.068 0.000 1.496 2116 c CA -0.658 55.737 56.329 0.109 0.000 1.804 2116 c CB -1.316 41.173 42.510 -0.036 0.000 2.708 2116 c HN 0.377 nan 8.230 nan 0.000 0.642 2117 L N 2.418 123.451 121.223 -0.316 0.000 2.416 2117 L HA 0.293 4.634 4.340 0.000 0.000 0.243 2117 L C -0.715 175.538 176.870 -1.028 0.000 1.373 2117 L CA 0.626 55.062 54.840 -0.673 0.000 1.227 2117 L CB -0.933 40.555 42.059 -0.952 0.000 1.428 2117 L HN 0.425 nan 8.230 nan 0.000 0.425 2118 Y N 1.247 121.495 120.300 -0.087 0.000 2.633 2118 Y HA 0.696 5.246 4.550 0.000 0.000 0.339 2118 Y C -0.112 175.939 175.900 0.252 0.000 1.045 2118 Y CA -1.341 56.777 58.100 0.031 0.000 1.098 2118 Y CB 1.825 40.255 38.460 -0.051 0.000 1.296 2118 Y HN 0.108 nan 8.280 nan 0.000 0.494 2119 L N -0.208 121.182 121.223 0.278 0.000 2.445 2119 L HA 0.723 5.063 4.340 0.000 0.000 0.262 2119 L C -1.528 175.385 176.870 0.071 0.000 0.974 2119 L CA -1.143 53.780 54.840 0.138 0.000 0.822 2119 L CB 1.785 43.819 42.059 -0.041 0.000 1.339 2119 L HN 0.384 nan 8.230 nan 0.000 0.409 2120 N N 2.612 121.390 118.700 0.130 0.000 2.399 2120 N HA 0.686 5.426 4.740 0.000 0.000 0.295 2120 N C -1.028 174.530 175.510 0.079 0.000 1.048 2120 N CA -0.193 52.908 53.050 0.084 0.000 0.886 2120 N CB 2.371 40.965 38.487 0.178 0.000 1.185 2120 N HN 0.696 nan 8.380 nan 0.000 0.487 2121 I N 1.985 122.532 120.570 -0.038 0.000 2.474 2121 I HA 0.314 4.484 4.170 0.000 0.000 0.294 2121 I C -1.004 175.085 176.117 -0.047 0.000 1.005 2121 I CA -0.772 60.562 61.300 0.056 0.000 1.113 2121 I CB 1.072 39.056 38.000 -0.026 0.000 1.289 2121 I HN 0.329 nan 8.210 nan 0.000 0.436 2122 Y N 3.316 123.771 120.300 0.258 0.000 2.363 2122 Y HA 0.356 4.906 4.550 0.000 0.000 0.325 2122 Y C 0.227 176.277 175.900 0.251 0.000 0.984 2122 Y CA -0.678 57.565 58.100 0.239 0.000 1.248 2122 Y CB 1.994 40.568 38.460 0.190 0.000 1.116 2122 Y HN 0.354 nan 8.280 nan 0.000 0.470 2123 T N 5.236 120.029 114.554 0.398 0.000 2.792 2123 T HA 0.345 4.695 4.350 0.000 0.000 0.280 2123 T C -2.106 172.765 174.700 0.286 0.000 0.990 2123 T CA -2.312 59.999 62.100 0.352 0.000 0.960 2123 T CB 1.326 70.453 68.868 0.431 0.000 0.939 2123 T HN 0.349 nan 8.240 nan 0.000 0.439 2124 P HA 0.253 nan 4.420 nan 0.000 0.245 2124 P C 0.436 177.820 177.300 0.140 0.000 1.203 2124 P CA -0.095 63.092 63.100 0.143 0.000 0.792 2124 P CB 0.111 31.860 31.700 0.082 0.000 0.997 2125 A N 1.082 124.002 122.820 0.167 0.000 2.448 2125 A HA 0.070 4.390 4.320 0.000 0.000 0.239 2125 A C 0.307 177.980 177.584 0.149 0.000 1.080 2125 A CA 0.125 52.248 52.037 0.144 0.000 0.779 2125 A CB -0.395 18.697 19.000 0.152 0.000 1.026 2125 A HN -0.012 nan 8.150 nan 0.000 0.499 2126 D N 1.596 122.061 120.400 0.109 0.000 2.393 2126 D HA 0.256 4.896 4.640 0.000 0.000 0.232 2126 D C 0.965 177.333 176.300 0.113 0.000 1.192 2126 D CA -0.094 53.966 54.000 0.100 0.000 0.882 2126 D CB 0.190 41.026 40.800 0.060 0.000 1.038 2126 D HN 0.432 nan 8.370 nan 0.000 0.499 2127 L N 2.713 124.032 121.223 0.160 0.000 2.450 2127 L HA -0.146 4.194 4.340 0.000 0.000 0.224 2127 L C 2.398 179.317 176.870 0.082 0.000 1.149 2127 L CA 1.225 56.139 54.840 0.123 0.000 0.816 2127 L CB -0.600 41.555 42.059 0.159 0.000 0.932 2127 L HN 0.456 nan 8.230 nan 0.000 0.449 2128 T N -2.900 111.706 114.554 0.087 0.000 2.857 2128 T HA -0.060 4.290 4.350 0.000 0.000 0.266 2128 T C 1.096 175.820 174.700 0.039 0.000 1.048 2128 T CA 0.502 62.638 62.100 0.060 0.000 1.139 2128 T CB 0.123 69.026 68.868 0.059 0.000 0.874 2128 T HN 0.169 nan 8.240 nan 0.000 0.455 2129 K N 0.618 121.042 120.400 0.039 0.000 2.502 2129 K HA 0.546 4.866 4.320 0.000 0.000 0.252 2129 K C -0.330 176.286 176.600 0.027 0.000 1.043 2129 K CA -0.903 55.401 56.287 0.028 0.000 0.999 2129 K CB 0.770 33.286 32.500 0.027 0.000 1.343 2129 K HN 0.111 nan 8.250 nan 0.000 0.513 2130 K N 1.356 121.768 120.400 0.020 0.000 2.156 2130 K HA 0.221 4.541 4.320 0.000 0.000 0.271 2130 K C -0.960 175.655 176.600 0.026 0.000 0.995 2130 K CA -0.384 55.914 56.287 0.018 0.000 0.890 2130 K CB 0.545 33.050 32.500 0.009 0.000 1.073 2130 K HN 0.490 nan 8.250 nan 0.000 0.454 2131 N N 2.892 121.612 118.700 0.034 0.000 2.357 2131 N HA 0.383 5.123 4.740 0.000 0.000 0.284 2131 N C -1.160 174.376 175.510 0.043 0.000 1.236 2131 N CA -0.826 52.250 53.050 0.043 0.000 0.774 2131 N CB 1.775 40.300 38.487 0.063 0.000 1.534 2131 N HN 0.433 nan 8.380 nan 0.000 0.478 2132 R N 1.521 122.045 120.500 0.039 0.000 2.638 2132 R HA 0.350 4.690 4.340 0.000 0.000 0.269 2132 R C -0.420 175.903 176.300 0.038 0.000 1.393 2132 R CA -0.282 55.839 56.100 0.035 0.000 1.531 2132 R CB 0.039 30.348 30.300 0.014 0.000 1.327 2132 R HN 0.534 nan 8.270 nan 0.000 0.709 2133 L N 2.305 123.563 121.223 0.059 0.000 2.464 2133 L HA 0.310 4.650 4.340 0.000 0.000 0.264 2133 L C -1.574 175.332 176.870 0.060 0.000 1.199 2133 L CA -1.590 53.286 54.840 0.059 0.000 0.818 2133 L CB 0.115 42.223 42.059 0.081 0.000 1.102 2133 L HN -0.054 nan 8.230 nan 0.000 0.473 2134 P HA 0.093 nan 4.420 nan 0.000 0.271 2134 P C -0.832 176.514 177.300 0.076 0.000 1.216 2134 P CA -0.159 62.968 63.100 0.045 0.000 0.771 2134 P CB 1.153 32.864 31.700 0.019 0.000 0.864 2135 V N 5.023 124.996 119.914 0.098 0.000 2.427 2135 V HA 0.377 4.497 4.120 0.000 0.000 0.286 2135 V C 0.668 176.846 176.094 0.140 0.000 1.034 2135 V CA -0.319 62.062 62.300 0.135 0.000 0.893 2135 V CB 1.033 32.947 31.823 0.152 0.000 0.982 2135 V HN 0.501 nan 8.190 nan 0.000 0.452 2136 M N 4.763 124.468 119.600 0.176 0.000 2.134 2136 M HA 0.487 4.967 4.480 0.000 0.000 0.310 2136 M C -1.191 175.390 176.300 0.469 0.000 0.966 2136 M CA -0.559 54.869 55.300 0.214 0.000 0.922 2136 M CB 2.014 34.618 32.600 0.007 0.000 1.537 2136 M HN 0.358 nan 8.290 nan 0.000 0.424 2137 V N 3.369 123.577 119.914 0.490 0.000 2.370 2137 V HA 0.318 4.439 4.120 0.000 0.000 0.279 2137 V C -0.668 175.698 176.094 0.453 0.000 1.029 2137 V CA -0.547 62.003 62.300 0.416 0.000 0.870 2137 V CB 1.389 33.337 31.823 0.207 0.000 0.984 2137 V HN 0.842 nan 8.190 nan 0.000 0.451 2138 W N 6.988 128.352 121.300 0.107 0.000 2.361 2138 W HA 0.582 5.243 4.660 0.000 0.000 0.309 2138 W C -1.179 175.227 176.519 -0.189 0.000 1.122 2138 W CA -0.834 56.331 57.345 -0.299 0.000 1.208 2138 W CB 1.284 30.584 29.460 -0.266 0.000 1.246 2138 W HN 0.445 nan 8.180 nan 0.000 0.490 2139 I N 8.268 128.125 120.570 -1.187 0.000 2.371 2139 I HA 0.030 4.200 4.170 0.000 0.000 0.282 2139 I C 1.000 176.388 176.117 -1.215 0.000 1.031 2139 I CA -0.778 59.997 61.300 -0.874 0.000 1.180 2139 I CB 0.499 38.118 38.000 -0.635 0.000 1.336 2139 I HN 0.387 nan 8.210 nan 0.000 0.467 2140 H N 4.646 123.265 119.070 -0.750 0.000 2.929 2140 H HA 0.254 4.810 4.556 0.000 0.000 0.358 2140 H C 0.044 175.352 175.328 -0.033 0.000 1.111 2140 H CA -0.164 55.679 56.048 -0.340 0.000 1.409 2140 H CB 0.838 30.666 29.762 0.111 0.000 1.373 2140 H HN 0.594 nan 8.280 nan 0.000 0.610 2141 G N -1.105 107.784 108.800 0.148 0.000 2.568 2141 G HA2 0.470 4.430 3.960 0.000 0.000 0.293 2141 G HA3 0.470 4.430 3.960 0.000 0.000 0.293 2141 G C 0.379 175.462 174.900 0.305 0.000 1.347 2141 G CA -0.673 44.529 45.100 0.170 0.000 1.039 2141 G HN 1.185 nan 8.290 nan 0.000 0.523 2142 G N -2.877 106.062 108.800 0.231 0.000 2.665 2142 G HA2 0.417 4.377 3.960 0.000 0.000 0.220 2142 G HA3 0.417 4.377 3.960 0.000 0.000 0.220 2142 G C 1.027 175.995 174.900 0.113 0.000 1.002 2142 G CA 0.780 45.987 45.100 0.179 0.000 0.893 2142 G HN 2.296 nan 8.290 nan 0.000 0.586 2143 G N 0.087 108.948 108.800 0.101 0.000 2.180 2143 G HA2 -0.225 3.736 3.960 0.000 0.000 0.263 2143 G HA3 -0.225 3.736 3.960 0.000 0.000 0.263 2143 G C 1.183 176.057 174.900 -0.043 0.000 0.989 2143 G CA 0.870 45.988 45.100 0.030 0.000 0.692 2143 G HN 1.712 nan 8.290 nan 0.000 0.526 2144 L N -3.545 117.685 121.223 0.011 0.000 5.081 2144 L HA -0.277 4.063 4.340 0.000 0.000 0.423 2144 L C 2.114 179.034 176.870 0.084 0.000 1.019 2144 L CA 1.677 56.528 54.840 0.019 0.000 1.223 2144 L CB -1.502 40.304 42.059 -0.422 0.000 1.940 2144 L HN 0.403 nan 8.230 nan 0.000 0.675 2145 M N -1.070 118.563 119.600 0.055 0.000 2.691 2145 M HA 0.286 4.766 4.480 0.000 0.000 0.261 2145 M C 0.983 177.348 176.300 0.109 0.000 1.227 2145 M CA 1.550 56.896 55.300 0.077 0.000 1.197 2145 M CB 0.127 32.751 32.600 0.039 0.000 1.294 2145 M HN 0.257 nan 8.290 nan 0.000 0.508 2146 V N -2.813 117.158 119.914 0.095 0.000 3.156 2146 V HA 1.043 5.164 4.120 0.000 0.000 0.311 2146 V C -0.198 175.969 176.094 0.123 0.000 1.208 2146 V CA -0.239 62.105 62.300 0.074 0.000 1.063 2146 V CB 1.203 33.050 31.823 0.039 0.000 1.098 2146 V HN 0.548 nan 8.190 nan 0.000 0.452 2147 G N -0.901 107.924 108.800 0.043 0.000 2.392 2147 G HA2 0.612 4.572 3.960 0.000 0.000 0.677 2147 G HA3 0.612 4.572 3.960 0.000 0.000 0.677 2147 G C -0.673 173.952 174.900 -0.458 0.000 1.334 2147 G CA -0.165 44.926 45.100 -0.014 0.000 0.961 2147 G HN 2.685 nan 8.290 nan 0.000 0.616 2148 A N -1.175 121.163 122.820 -0.804 0.000 2.608 2148 A HA 1.025 5.345 4.320 0.000 0.000 0.292 2148 A C 0.713 178.110 177.584 -0.312 0.000 1.066 2148 A CA 0.738 52.417 52.037 -0.595 0.000 0.676 2148 A CB 0.778 19.631 19.000 -0.245 0.000 1.277 2148 A HN 2.553 nan 8.150 nan 0.000 0.413 2149 A N 0.276 123.063 122.820 -0.056 0.000 1.930 2149 A HA 0.157 4.477 4.320 0.000 0.000 0.215 2149 A C 1.950 179.686 177.584 0.253 0.000 1.176 2149 A CA 2.228 54.401 52.037 0.226 0.000 0.632 2149 A CB -0.709 18.448 19.000 0.262 0.000 0.819 2149 A HN 1.194 nan 8.150 nan 0.000 0.445 2150 S N -0.001 115.773 115.700 0.122 0.000 2.469 2150 S HA -0.113 4.357 4.470 0.000 0.000 0.238 2150 S C 1.805 176.343 174.600 -0.103 0.000 0.998 2150 S CA 1.509 59.742 58.200 0.055 0.000 0.957 2150 S CB -0.492 62.666 63.200 -0.070 0.000 0.764 2150 S HN 0.678 nan 8.310 nan 0.000 0.514 2151 T N 0.927 115.415 114.554 -0.111 0.000 2.833 2151 T HA -0.072 4.278 4.350 0.000 0.000 0.269 2151 T C -0.084 174.275 174.700 -0.568 0.000 1.054 2151 T CA 1.094 62.982 62.100 -0.354 0.000 1.135 2151 T CB -0.253 68.351 68.868 -0.439 0.000 0.869 2151 T HN 0.410 nan 8.240 nan 0.000 0.466 2152 Y N 1.546 121.665 120.300 -0.301 0.000 2.353 2152 Y HA 0.476 5.026 4.550 0.000 0.000 0.340 2152 Y C -0.049 175.594 175.900 -0.427 0.000 0.972 2152 Y CA -2.421 55.314 58.100 -0.608 0.000 1.157 2152 Y CB 0.483 38.251 38.460 -1.155 0.000 1.157 2152 Y HN -0.106 nan 8.280 nan 0.000 0.495 2153 D N 2.176 122.401 120.400 -0.292 0.000 2.280 2153 D HA 0.238 4.878 4.640 0.000 0.000 0.243 2153 D C 0.836 176.886 176.300 -0.417 0.000 1.129 2153 D CA -0.211 53.626 54.000 -0.271 0.000 0.848 2153 D CB 1.561 42.297 40.800 -0.105 0.000 1.107 2153 D HN 0.838 nan 8.370 nan 0.000 0.471 2154 G N 3.581 111.736 108.800 -1.074 0.000 3.371 2154 G HA2 -0.016 3.945 3.960 0.000 0.000 0.248 2154 G HA3 -0.016 3.945 3.960 0.000 0.000 0.248 2154 G C 1.408 176.075 174.900 -0.389 0.000 1.161 2154 G CA -0.252 44.483 45.100 -0.609 0.000 0.796 2154 G HN 0.544 nan 8.290 nan 0.000 0.539 2155 L N 0.413 121.463 121.223 -0.289 0.000 1.970 2155 L HA -0.105 4.235 4.340 0.000 0.000 0.212 2155 L C 3.129 179.978 176.870 -0.035 0.000 1.071 2155 L CA 1.815 56.653 54.840 -0.003 0.000 0.751 2155 L CB -0.282 41.822 42.059 0.075 0.000 0.889 2155 L HN 0.330 nan 8.230 nan 0.000 0.432 2156 A N -0.311 122.494 122.820 -0.025 0.000 1.865 2156 A HA -0.283 4.037 4.320 0.000 0.000 0.217 2156 A C 2.117 179.662 177.584 -0.066 0.000 1.191 2156 A CA 2.025 54.056 52.037 -0.010 0.000 0.623 2156 A CB -0.935 18.084 19.000 0.031 0.000 0.826 2156 A HN 0.464 nan 8.150 nan 0.000 0.444 2157 L N -0.404 120.763 121.223 -0.094 0.000 2.083 2157 L HA -0.054 4.286 4.340 0.000 0.000 0.209 2157 L C 2.671 179.500 176.870 -0.068 0.000 1.083 2157 L CA 2.070 56.837 54.840 -0.122 0.000 0.752 2157 L CB -0.756 41.189 42.059 -0.190 0.000 0.899 2157 L HN 0.373 nan 8.230 nan 0.000 0.433 2158 A N -0.428 122.371 122.820 -0.034 0.000 1.845 2158 A HA -0.124 4.196 4.320 0.000 0.000 0.215 2158 A C 2.456 179.998 177.584 -0.070 0.000 1.195 2158 A CA 2.097 54.141 52.037 0.012 0.000 0.616 2158 A CB -1.344 17.719 19.000 0.106 0.000 0.832 2158 A HN 0.549 nan 8.150 nan 0.000 0.443 2159 A N -1.248 121.450 122.820 -0.203 0.000 1.858 2159 A HA -0.205 4.115 4.320 0.000 0.000 0.216 2159 A C 2.099 179.355 177.584 -0.547 0.000 1.190 2159 A CA 1.642 53.385 52.037 -0.490 0.000 0.617 2159 A CB -1.123 17.307 19.000 -0.951 0.000 0.827 2159 A HN 0.690 nan 8.150 nan 0.000 0.443 2160 H N -0.582 118.168 119.070 -0.533 0.000 2.319 2160 H HA -0.076 4.480 4.556 0.000 0.000 0.299 2160 H C 1.062 176.323 175.328 -0.112 0.000 1.092 2160 H CA 1.705 57.577 56.048 -0.293 0.000 1.302 2160 H CB 0.170 29.714 29.762 -0.363 0.000 1.373 2160 H HN 0.434 nan 8.280 nan 0.000 0.497 2161 E N 0.176 120.382 120.200 0.009 0.000 2.501 2161 E HA -0.005 4.345 4.350 0.000 0.000 0.201 2161 E C 0.025 176.636 176.600 0.018 0.000 1.016 2161 E CA -0.266 56.144 56.400 0.016 0.000 0.920 2161 E CB -0.152 29.551 29.700 0.005 0.000 1.023 2161 E HN 0.385 nan 8.360 nan 0.000 0.474 2162 N N 0.919 119.624 118.700 0.008 0.000 2.714 2162 N HA -0.171 4.569 4.740 0.000 0.000 0.253 2162 N C -0.535 175.002 175.510 0.045 0.000 1.024 2162 N CA 0.570 53.637 53.050 0.029 0.000 0.726 2162 N CB -0.843 37.669 38.487 0.041 0.000 0.908 2162 N HN 0.009 nan 8.380 nan 0.000 0.542 2163 V N -2.689 117.254 119.914 0.050 0.000 2.914 2163 V HA 0.715 4.835 4.120 0.000 0.000 0.314 2163 V C 0.561 176.723 176.094 0.114 0.000 1.084 2163 V CA -0.943 61.399 62.300 0.069 0.000 0.963 2163 V CB 2.120 33.970 31.823 0.045 0.000 1.025 2163 V HN -0.108 nan 8.190 nan 0.000 0.432 2164 V N 2.970 122.971 119.914 0.145 0.000 2.461 2164 V HA 0.411 4.531 4.120 0.000 0.000 0.275 2164 V C 0.058 176.289 176.094 0.229 0.000 1.047 2164 V CA -0.153 62.270 62.300 0.205 0.000 0.955 2164 V CB 1.461 33.413 31.823 0.214 0.000 0.988 2164 V HN 0.739 nan 8.190 nan 0.000 0.471 2165 V N 6.271 126.362 119.914 0.296 0.000 2.417 2165 V HA 0.489 4.609 4.120 0.000 0.000 0.291 2165 V C -0.229 176.124 176.094 0.432 0.000 1.024 2165 V CA -0.443 62.070 62.300 0.355 0.000 0.861 2165 V CB 1.965 33.980 31.823 0.320 0.000 0.985 2165 V HN 0.600 nan 8.190 nan 0.000 0.436 2166 V N 3.990 124.147 119.914 0.405 0.000 2.540 2166 V HA 0.585 4.705 4.120 0.000 0.000 0.302 2166 V C 0.122 176.449 176.094 0.388 0.000 1.035 2166 V CA -0.540 61.970 62.300 0.350 0.000 0.873 2166 V CB 2.289 34.257 31.823 0.243 0.000 0.992 2166 V HN 0.980 nan 8.190 nan 0.000 0.428 2167 T N 3.289 118.071 114.554 0.380 0.000 2.770 2167 T HA 0.796 5.146 4.350 0.000 0.000 0.283 2167 T C -0.525 174.339 174.700 0.273 0.000 0.988 2167 T CA -0.502 61.830 62.100 0.387 0.000 0.957 2167 T CB 1.172 70.299 68.868 0.432 0.000 0.930 2167 T HN 0.677 nan 8.240 nan 0.000 0.443 2168 I N 0.321 121.026 120.570 0.225 0.000 2.648 2168 I HA 0.663 4.833 4.170 0.000 0.000 0.304 2168 I C -0.549 175.760 176.117 0.321 0.000 1.009 2168 I CA -1.197 60.208 61.300 0.175 0.000 1.114 2168 I CB 2.003 39.998 38.000 -0.009 0.000 1.293 2168 I HN 0.559 nan 8.210 nan 0.000 0.449 2169 Q N 2.775 122.800 119.800 0.375 0.000 2.297 2169 Q HA 0.600 4.940 4.340 0.000 0.000 0.269 2169 Q C -1.819 174.486 176.000 0.508 0.000 1.051 2169 Q CA -0.809 55.233 55.803 0.398 0.000 0.869 2169 Q CB 2.661 31.548 28.738 0.248 0.000 1.346 2169 Q HN 0.729 nan 8.270 nan 0.000 0.457 2170 Y N -2.763 117.696 120.300 0.264 0.000 2.609 2170 Y HA 0.519 5.069 4.550 0.000 0.000 0.336 2170 Y C -0.968 175.018 175.900 0.144 0.000 1.129 2170 Y CA -1.455 56.764 58.100 0.198 0.000 1.040 2170 Y CB 0.750 39.291 38.460 0.135 0.000 1.310 2170 Y HN 0.405 nan 8.280 nan 0.000 0.460 2171 R N 1.896 122.497 120.500 0.169 0.000 2.570 2171 R HA 0.410 4.750 4.340 0.000 0.000 0.277 2171 R C -0.921 175.448 176.300 0.113 0.000 1.039 2171 R CA 0.066 56.213 56.100 0.077 0.000 1.065 2171 R CB 0.256 30.611 30.300 0.092 0.000 0.964 2171 R HN 0.684 nan 8.270 nan 0.000 0.428 2172 L N 1.429 122.750 121.223 0.164 0.000 2.313 2172 L HA 0.469 4.809 4.340 0.000 0.000 0.268 2172 L C 1.339 178.495 176.870 0.477 0.000 1.010 2172 L CA -0.397 54.635 54.840 0.319 0.000 0.814 2172 L CB 1.570 43.723 42.059 0.157 0.000 1.304 2172 L HN 0.893 nan 8.230 nan 0.000 0.441 2173 G N 0.743 109.829 108.800 0.477 0.000 2.632 2173 G HA2 -0.355 3.605 3.960 0.000 0.000 0.322 2173 G HA3 -0.355 3.605 3.960 0.000 0.000 0.322 2173 G C 0.958 176.102 174.900 0.407 0.000 1.326 2173 G CA 0.752 46.064 45.100 0.354 0.000 0.986 2173 G HN 0.673 nan 8.290 nan 0.000 0.541 2174 I N -0.608 120.122 120.570 0.266 0.000 2.113 2174 I HA -0.268 3.902 4.170 0.000 0.000 0.242 2174 I C 2.859 179.181 176.117 0.342 0.000 1.064 2174 I CA 2.679 64.087 61.300 0.181 0.000 1.320 2174 I CB -0.360 37.498 38.000 -0.238 0.000 1.028 2174 I HN 0.565 nan 8.210 nan 0.000 0.406 2175 W N 0.504 121.959 121.300 0.259 0.000 2.338 2175 W HA -0.127 4.533 4.660 0.000 0.000 0.304 2175 W C 2.393 179.015 176.519 0.173 0.000 1.212 2175 W CA 1.403 58.791 57.345 0.071 0.000 1.264 2175 W CB -0.972 28.448 29.460 -0.066 0.000 1.142 2175 W HN 0.254 nan 8.180 nan 0.000 0.512 2176 G N -2.342 106.672 108.800 0.356 0.000 2.986 2176 G HA2 0.052 4.012 3.960 0.000 0.000 0.213 2176 G HA3 0.052 4.012 3.960 0.000 0.000 0.213 2176 G C 0.592 175.136 174.900 -0.592 0.000 1.156 2176 G CA 0.049 45.111 45.100 -0.063 0.000 0.763 2176 G HN 0.130 nan 8.290 nan 0.000 0.547 2177 F N -0.992 119.182 119.950 0.373 0.000 2.880 2177 F HA 0.409 4.936 4.527 0.000 0.000 0.328 2177 F C 0.138 176.005 175.800 0.111 0.000 1.146 2177 F CA -1.713 56.348 58.000 0.102 0.000 1.135 2177 F CB 0.205 39.196 39.000 -0.015 0.000 1.151 2177 F HN -0.011 nan 8.300 nan 0.000 0.523 2178 F N 2.007 122.151 119.950 0.323 0.000 2.543 2178 F HA 0.399 4.926 4.527 0.000 0.000 0.375 2178 F C 0.458 176.303 175.800 0.074 0.000 1.075 2178 F CA 0.277 58.360 58.000 0.139 0.000 1.225 2178 F CB 0.511 39.473 39.000 -0.063 0.000 1.099 2178 F HN -0.101 nan 8.300 nan 0.000 0.561 2179 S N 3.584 118.801 115.700 -0.804 0.000 2.557 2179 S HA 0.324 4.794 4.470 0.000 0.000 0.291 2179 S C 0.367 174.555 174.600 -0.687 0.000 1.116 2179 S CA -0.157 57.699 58.200 -0.574 0.000 0.992 2179 S CB 1.288 64.289 63.200 -0.333 0.000 1.028 2179 S HN 0.792 nan 8.310 nan 0.000 0.484 2180 T N 1.030 115.351 114.554 -0.388 0.000 3.107 2180 T HA 0.359 4.709 4.350 0.000 0.000 0.249 2180 T C 1.472 176.105 174.700 -0.112 0.000 1.096 2180 T CA 0.422 62.395 62.100 -0.212 0.000 1.012 2180 T CB -0.086 68.786 68.868 0.007 0.000 0.977 2180 T HN 1.621 nan 8.240 nan 0.000 0.527 2181 G N 2.282 111.003 108.800 -0.132 0.000 2.162 2181 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 2181 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 2181 G C -0.276 174.597 174.900 -0.046 0.000 0.976 2181 G CA 0.397 45.444 45.100 -0.089 0.000 0.655 2181 G HN 0.910 nan 8.290 nan 0.000 0.533 2182 D N -2.221 118.168 120.400 -0.018 0.000 2.798 2182 D HA 0.448 5.088 4.640 0.000 0.000 0.308 2182 D C 1.316 177.605 176.300 -0.018 0.000 1.187 2182 D CA -0.052 53.944 54.000 -0.007 0.000 1.033 2182 D CB -0.286 40.536 40.800 0.037 0.000 1.445 2182 D HN 0.109 nan 8.370 nan 0.000 0.550 2183 E N -0.099 120.043 120.200 -0.095 0.000 2.267 2183 E HA -0.267 4.083 4.350 0.000 0.000 0.197 2183 E C 1.075 177.615 176.600 -0.100 0.000 0.998 2183 E CA 1.347 57.674 56.400 -0.122 0.000 0.830 2183 E CB -0.669 28.915 29.700 -0.193 0.000 0.751 2183 E HN 0.542 nan 8.360 nan 0.000 0.491 2184 H N 0.501 119.634 119.070 0.103 0.000 2.423 2184 H HA 0.100 4.656 4.556 0.000 0.000 0.297 2184 H C 0.477 175.933 175.328 0.214 0.000 1.075 2184 H CA 1.404 57.531 56.048 0.132 0.000 1.342 2184 H CB 0.290 30.113 29.762 0.102 0.000 1.395 2184 H HN 0.119 nan 8.280 nan 0.000 0.530 2185 S N -0.397 115.495 115.700 0.320 0.000 2.548 2185 S HA 0.232 4.702 4.470 0.000 0.000 0.168 2185 S C 0.741 175.455 174.600 0.189 0.000 1.068 2185 S CA -0.607 57.869 58.200 0.461 0.000 1.129 2185 S CB 0.466 63.924 63.200 0.431 0.000 1.435 2185 S HN 0.174 nan 8.310 nan 0.000 0.410 2186 R N 1.787 122.336 120.500 0.082 0.000 2.081 2186 R HA 0.217 4.557 4.340 0.000 0.000 0.235 2186 R C 1.408 177.441 176.300 -0.445 0.000 1.131 2186 R CA 1.099 57.091 56.100 -0.181 0.000 0.960 2186 R CB -0.221 29.983 30.300 -0.160 0.000 0.856 2186 R HN 0.848 nan 8.270 nan 0.000 0.436 2187 G N -0.140 108.028 108.800 -1.053 0.000 2.549 2187 G HA2 -0.215 3.745 3.960 0.000 0.000 0.404 2187 G HA3 -0.215 3.745 3.960 0.000 0.000 0.404 2187 G C -0.700 173.504 174.900 -1.159 0.000 1.292 2187 G CA -0.411 43.977 45.100 -1.188 0.000 0.935 2187 G HN 0.266 nan 8.290 nan 0.000 0.512 2188 N N -1.229 117.091 118.700 -0.633 0.000 2.747 2188 N HA -0.189 4.551 4.740 0.000 0.000 0.249 2188 N C 1.113 176.421 175.510 -0.336 0.000 1.107 2188 N CA 1.919 54.806 53.050 -0.271 0.000 0.707 2188 N CB -1.609 36.866 38.487 -0.019 0.000 1.054 2188 N HN 0.715 nan 8.380 nan 0.000 0.555 2189 W N 0.358 121.534 121.300 -0.206 0.000 2.338 2189 W HA -0.069 4.591 4.660 0.000 0.000 0.304 2189 W C 2.473 178.871 176.519 -0.202 0.000 1.212 2189 W CA 0.724 57.983 57.345 -0.143 0.000 1.264 2189 W CB -0.628 28.777 29.460 -0.090 0.000 1.142 2189 W HN 0.304 nan 8.180 nan 0.000 0.512 2190 G N -0.121 108.464 108.800 -0.359 0.000 2.418 2190 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 2190 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 2190 G C 1.201 176.094 174.900 -0.011 0.000 1.158 2190 G CA 1.315 46.310 45.100 -0.174 0.000 0.771 2190 G HN 0.281 nan 8.290 nan 0.000 0.545 2191 H N 0.239 119.319 119.070 0.016 0.000 2.423 2191 H HA 0.104 4.660 4.556 0.000 0.000 0.297 2191 H C 2.687 178.023 175.328 0.012 0.000 1.075 2191 H CA 0.637 56.682 56.048 -0.005 0.000 1.342 2191 H CB -0.295 29.482 29.762 0.025 0.000 1.395 2191 H HN 0.270 nan 8.280 nan 0.000 0.530 2192 L N 0.390 121.718 121.223 0.175 0.000 2.141 2192 L HA -0.145 4.195 4.340 0.000 0.000 0.209 2192 L C 1.964 178.946 176.870 0.187 0.000 1.094 2192 L CA 0.941 55.886 54.840 0.175 0.000 0.763 2192 L CB -0.167 42.025 42.059 0.222 0.000 0.908 2192 L HN 0.132 nan 8.230 nan 0.000 0.437 2193 D N -0.200 120.328 120.400 0.213 0.000 2.117 2193 D HA -0.188 4.452 4.640 0.000 0.000 0.198 2193 D C 2.224 178.627 176.300 0.172 0.000 0.982 2193 D CA 1.048 55.233 54.000 0.309 0.000 0.828 2193 D CB -0.099 40.929 40.800 0.379 0.000 0.967 2193 D HN 0.343 nan 8.370 nan 0.000 0.464 2194 Q N 0.252 120.093 119.800 0.069 0.000 2.096 2194 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 2194 Q C 2.381 178.343 176.000 -0.063 0.000 0.982 2194 Q CA 0.976 56.736 55.803 -0.073 0.000 0.850 2194 Q CB 0.001 28.652 28.738 -0.144 0.000 0.901 2194 Q HN 0.118 nan 8.270 nan 0.000 0.422 2195 V N 0.554 120.477 119.914 0.016 0.000 2.295 2195 V HA -0.285 3.835 4.120 0.000 0.000 0.246 2195 V C 2.188 178.316 176.094 0.057 0.000 1.049 2195 V CA 1.792 64.116 62.300 0.040 0.000 1.024 2195 V CB -1.001 30.869 31.823 0.078 0.000 0.648 2195 V HN 0.441 nan 8.190 nan 0.000 0.447 2196 A N -0.029 122.855 122.820 0.107 0.000 1.933 2196 A HA -0.121 4.199 4.320 0.000 0.000 0.218 2196 A C 2.419 180.045 177.584 0.070 0.000 1.175 2196 A CA 2.085 54.230 52.037 0.180 0.000 0.628 2196 A CB -0.745 18.457 19.000 0.336 0.000 0.814 2196 A HN 0.573 nan 8.150 nan 0.000 0.444 2197 A N -0.322 122.317 122.820 -0.301 0.000 1.902 2197 A HA -0.036 4.284 4.320 0.000 0.000 0.217 2197 A C 2.165 179.664 177.584 -0.140 0.000 1.181 2197 A CA 1.491 53.113 52.037 -0.691 0.000 0.623 2197 A CB -0.569 17.843 19.000 -0.980 0.000 0.818 2197 A HN 0.470 nan 8.150 nan 0.000 0.443 2198 L N -1.480 119.706 121.223 -0.062 0.000 2.093 2198 L HA -0.147 4.193 4.340 0.000 0.000 0.208 2198 L C 2.750 179.671 176.870 0.085 0.000 1.085 2198 L CA 1.510 56.369 54.840 0.031 0.000 0.755 2198 L CB -0.354 41.721 42.059 0.026 0.000 0.904 2198 L HN 0.358 nan 8.230 nan 0.000 0.435 2199 R N -0.384 120.174 120.500 0.097 0.000 2.083 2199 R HA -0.255 4.085 4.340 0.000 0.000 0.237 2199 R C 2.086 178.476 176.300 0.149 0.000 1.137 2199 R CA 1.931 58.099 56.100 0.113 0.000 0.951 2199 R CB -0.677 29.705 30.300 0.136 0.000 0.851 2199 R HN 0.418 nan 8.270 nan 0.000 0.434 2200 W N -0.488 120.834 121.300 0.037 0.000 2.363 2200 W HA -0.168 4.492 4.660 0.000 0.000 0.296 2200 W C 1.632 178.174 176.519 0.039 0.000 1.212 2200 W CA 1.331 58.719 57.345 0.071 0.000 1.260 2200 W CB -0.125 29.405 29.460 0.116 0.000 1.131 2200 W HN -0.088 nan 8.180 nan 0.000 0.530 2201 V N 0.899 120.980 119.914 0.278 0.000 2.427 2201 V HA -0.312 3.808 4.120 0.000 0.000 0.248 2201 V C 2.458 178.528 176.094 -0.039 0.000 1.051 2201 V CA 1.930 64.312 62.300 0.138 0.000 1.048 2201 V CB -0.791 31.150 31.823 0.196 0.000 0.666 2201 V HN 0.185 nan 8.190 nan 0.000 0.456 2202 Q N -0.281 119.512 119.800 -0.012 0.000 2.224 2202 Q HA -0.161 4.179 4.340 0.000 0.000 0.203 2202 Q C 1.686 177.628 176.000 -0.097 0.000 0.970 2202 Q CA 1.285 57.072 55.803 -0.026 0.000 0.865 2202 Q CB -0.365 28.373 28.738 0.000 0.000 0.922 2202 Q HN 0.671 nan 8.270 nan 0.000 0.445 2203 D N -0.637 119.650 120.400 -0.188 0.000 2.346 2203 D HA 0.043 4.683 4.640 0.000 0.000 0.206 2203 D C 1.012 177.094 176.300 -0.363 0.000 1.001 2203 D CA 0.290 54.142 54.000 -0.246 0.000 0.871 2203 D CB 0.282 40.935 40.800 -0.244 0.000 0.943 2203 D HN 0.281 nan 8.370 nan 0.000 0.518 2204 N N -0.034 118.345 118.700 -0.535 0.000 2.325 2204 N HA 0.013 4.753 4.740 0.000 0.000 0.220 2204 N C 1.641 177.030 175.510 -0.202 0.000 1.176 2204 N CA -0.223 52.504 53.050 -0.537 0.000 0.861 2204 N CB 0.953 38.705 38.487 -1.226 0.000 1.230 2204 N HN -0.055 nan 8.380 nan 0.000 0.479 2205 I N 2.987 123.454 120.570 -0.171 0.000 2.236 2205 I HA -0.271 3.899 4.170 0.000 0.000 0.249 2205 I C 2.304 178.507 176.117 0.142 0.000 1.102 2205 I CA 0.917 62.255 61.300 0.063 0.000 1.365 2205 I CB -0.467 37.571 38.000 0.064 0.000 1.051 2205 I HN 0.110 nan 8.210 nan 0.000 0.420 2206 A N -0.892 121.957 122.820 0.047 0.000 1.892 2206 A HA -0.273 4.047 4.320 0.000 0.000 0.218 2206 A C 2.445 180.054 177.584 0.041 0.000 1.188 2206 A CA 2.408 54.468 52.037 0.037 0.000 0.631 2206 A CB -1.210 17.784 19.000 -0.009 0.000 0.822 2206 A HN 0.487 nan 8.150 nan 0.000 0.447 2207 S N -1.007 114.700 115.700 0.010 0.000 2.440 2207 S HA -0.107 4.363 4.470 0.000 0.000 0.238 2207 S C 0.882 175.353 174.600 -0.214 0.000 1.010 2207 S CA 1.217 59.347 58.200 -0.115 0.000 0.972 2207 S CB -0.437 62.642 63.200 -0.202 0.000 0.774 2207 S HN 0.537 nan 8.310 nan 0.000 0.501 2208 F N 0.880 120.814 119.950 -0.025 0.000 2.660 2208 F HA 0.372 4.900 4.527 0.000 0.000 0.297 2208 F C 1.687 177.536 175.800 0.081 0.000 1.132 2208 F CA -0.117 57.896 58.000 0.022 0.000 1.372 2208 F CB -0.235 38.779 39.000 0.024 0.000 1.003 2208 F HN 0.245 nan 8.300 nan 0.000 0.524 2209 G N 0.146 109.044 108.800 0.163 0.000 2.162 2209 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 2209 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 2209 G C 0.643 175.625 174.900 0.137 0.000 0.976 2209 G CA -0.089 45.093 45.100 0.137 0.000 0.655 2209 G HN 0.763 nan 8.290 nan 0.000 0.533 2210 G N -0.482 108.413 108.800 0.158 0.000 2.389 2210 G HA2 0.502 4.462 3.960 0.000 0.000 0.317 2210 G HA3 0.502 4.462 3.960 0.000 0.000 0.317 2210 G C -0.294 174.658 174.900 0.087 0.000 1.137 2210 G CA -0.010 45.169 45.100 0.130 0.000 0.870 2210 G HN 0.555 nan 8.290 nan 0.000 0.496 2211 N N 1.997 120.738 118.700 0.068 0.000 2.437 2211 N HA 0.272 5.012 4.740 0.000 0.000 0.243 2211 N C -1.052 174.489 175.510 0.051 0.000 1.041 2211 N CA -2.413 50.660 53.050 0.039 0.000 0.940 2211 N CB 1.821 40.315 38.487 0.012 0.000 1.133 2211 N HN 0.114 nan 8.380 nan 0.000 0.506 2212 P HA -0.021 nan 4.420 nan 0.000 0.225 2212 P C 0.892 178.264 177.300 0.120 0.000 1.148 2212 P CA 0.733 63.879 63.100 0.077 0.000 0.779 2212 P CB 0.116 31.837 31.700 0.036 0.000 0.780 2213 G N -0.897 107.907 108.800 0.007 0.000 2.920 2213 G HA2 -0.005 3.955 3.960 0.000 0.000 0.208 2213 G HA3 -0.005 3.955 3.960 0.000 0.000 0.208 2213 G C 0.422 175.015 174.900 -0.511 0.000 1.159 2213 G CA 0.151 45.150 45.100 -0.169 0.000 0.784 2213 G HN 0.356 nan 8.290 nan 0.000 0.535 2214 S N -0.103 115.524 115.700 -0.120 0.000 2.383 2214 S HA 0.512 4.982 4.470 0.000 0.000 0.196 2214 S C -1.164 173.559 174.600 0.206 0.000 1.364 2214 S CA -0.416 57.766 58.200 -0.031 0.000 1.212 2214 S CB 0.767 63.924 63.200 -0.072 0.000 1.171 2214 S HN -0.049 nan 8.310 nan 0.000 0.456 2215 V N 3.937 124.130 119.914 0.463 0.000 2.487 2215 V HA 0.590 4.710 4.120 0.000 0.000 0.298 2215 V C -0.059 176.161 176.094 0.210 0.000 1.028 2215 V CA -0.484 61.971 62.300 0.258 0.000 0.860 2215 V CB 2.143 34.084 31.823 0.198 0.000 0.991 2215 V HN 0.732 nan 8.190 nan 0.000 0.427 2216 T N 6.262 120.914 114.554 0.164 0.000 2.792 2216 T HA 0.613 4.963 4.350 0.000 0.000 0.280 2216 T C -0.208 174.609 174.700 0.196 0.000 0.990 2216 T CA -0.191 62.001 62.100 0.154 0.000 0.960 2216 T CB 0.910 69.818 68.868 0.066 0.000 0.939 2216 T HN 0.616 nan 8.240 nan 0.000 0.439 2217 I N 1.630 122.289 120.570 0.148 0.000 2.392 2217 I HA 0.901 5.071 4.170 0.000 0.000 0.295 2217 I C -0.935 175.353 176.117 0.285 0.000 0.985 2217 I CA -1.020 60.352 61.300 0.121 0.000 1.221 2217 I CB 1.099 38.937 38.000 -0.271 0.000 1.366 2217 I HN 0.538 nan 8.210 nan 0.000 0.467 2218 F N 2.817 122.763 119.950 -0.006 0.000 2.665 2218 F HA 0.967 5.494 4.527 0.000 0.000 0.308 2218 F C -0.594 175.100 175.800 -0.176 0.000 1.112 2218 F CA -1.142 56.887 58.000 0.047 0.000 0.972 2218 F CB 1.162 40.322 39.000 0.266 0.000 1.295 2218 F HN 0.879 nan 8.300 nan 0.000 0.440 2219 G N 1.392 109.922 108.800 -0.450 0.000 2.576 2219 G HA2 0.548 4.508 3.960 0.000 0.000 0.290 2219 G HA3 0.548 4.508 3.960 0.000 0.000 0.290 2219 G C -2.355 172.269 174.900 -0.460 0.000 1.442 2219 G CA -0.635 43.717 45.100 -1.248 0.000 0.792 2219 G HN 1.118 nan 8.290 nan 0.000 0.491 2220 E N -0.648 119.332 120.200 -0.368 0.000 2.299 2220 E HA 0.786 5.136 4.350 0.000 0.000 0.265 2220 E C 0.690 177.310 176.600 0.034 0.000 0.911 2220 E CA 0.140 56.544 56.400 0.006 0.000 0.789 2220 E CB 1.899 31.691 29.700 0.152 0.000 1.246 2220 E HN 1.297 nan 8.360 nan 0.000 0.427 2221 S N 1.111 116.895 115.700 0.141 0.000 4.116 2221 S HA -0.378 4.092 4.470 0.000 0.000 0.623 2221 S C 1.503 176.205 174.600 0.170 0.000 1.933 2221 S CA 2.061 60.444 58.200 0.306 0.000 4.224 2221 S CB -1.829 61.621 63.200 0.417 0.000 0.208 2221 S HN 1.479 nan 8.310 nan 0.000 0.527 2222 A N 0.816 123.716 122.820 0.133 0.000 1.972 2222 A HA 0.163 4.483 4.320 0.000 0.000 0.219 2222 A C 2.403 179.947 177.584 -0.066 0.000 1.169 2222 A CA 2.390 54.446 52.037 0.032 0.000 0.635 2222 A CB -1.451 17.571 19.000 0.036 0.000 0.810 2222 A HN 1.578 nan 8.150 nan 0.000 0.446 2223 G N -0.837 107.878 108.800 -0.141 0.000 2.443 2223 G HA2 0.107 4.067 3.960 0.000 0.000 0.219 2223 G HA3 0.107 4.067 3.960 0.000 0.000 0.219 2223 G C 1.395 176.123 174.900 -0.287 0.000 1.131 2223 G CA 1.139 46.036 45.100 -0.337 0.000 0.775 2223 G HN 0.659 nan 8.290 nan 0.000 0.547 2224 G N 0.300 109.011 108.800 -0.149 0.000 2.394 2224 G HA2 -0.121 3.839 3.960 0.000 0.000 0.215 2224 G HA3 -0.121 3.839 3.960 0.000 0.000 0.215 2224 G C 1.521 176.387 174.900 -0.057 0.000 1.165 2224 G CA 0.982 46.041 45.100 -0.069 0.000 0.784 2224 G HN 0.433 nan 8.290 nan 0.000 0.535 2225 E N 0.968 121.138 120.200 -0.050 0.000 2.150 2225 E HA -0.092 4.258 4.350 0.000 0.000 0.193 2225 E C 2.487 179.005 176.600 -0.137 0.000 0.985 2225 E CA 1.107 57.465 56.400 -0.070 0.000 0.814 2225 E CB -0.143 29.523 29.700 -0.056 0.000 0.752 2225 E HN 0.344 nan 8.360 nan 0.000 0.466 2226 S N 0.274 115.879 115.700 -0.159 0.000 2.348 2226 S HA -0.125 4.345 4.470 0.000 0.000 0.221 2226 S C 2.149 176.572 174.600 -0.295 0.000 1.033 2226 S CA 1.178 59.238 58.200 -0.232 0.000 1.010 2226 S CB -0.327 62.719 63.200 -0.257 0.000 0.891 2226 S HN 0.140 nan 8.310 nan 0.000 0.442 2227 V N 1.434 121.184 119.914 -0.274 0.000 2.324 2227 V HA -0.199 3.921 4.120 0.000 0.000 0.250 2227 V C 2.612 178.521 176.094 -0.308 0.000 1.060 2227 V CA 2.060 64.171 62.300 -0.315 0.000 1.042 2227 V CB -0.822 30.882 31.823 -0.199 0.000 0.650 2227 V HN 0.536 nan 8.190 nan 0.000 0.450 2228 S N -0.677 114.916 115.700 -0.179 0.000 2.356 2228 S HA -0.170 4.301 4.470 0.000 0.000 0.223 2228 S C 1.971 176.442 174.600 -0.214 0.000 1.032 2228 S CA 1.870 59.986 58.200 -0.140 0.000 1.005 2228 S CB -0.177 62.997 63.200 -0.044 0.000 0.867 2228 S HN 0.341 nan 8.310 nan 0.000 0.449 2229 V N 2.052 121.818 119.914 -0.246 0.000 2.343 2229 V HA -0.131 3.989 4.120 0.000 0.000 0.247 2229 V C 2.354 178.312 176.094 -0.226 0.000 1.051 2229 V CA 1.730 63.863 62.300 -0.279 0.000 1.036 2229 V CB -0.646 30.895 31.823 -0.469 0.000 0.654 2229 V HN 0.469 nan 8.190 nan 0.000 0.451 2230 L N -0.482 120.595 121.223 -0.243 0.000 2.141 2230 L HA -0.118 4.222 4.340 0.000 0.000 0.209 2230 L C 2.334 179.293 176.870 0.149 0.000 1.094 2230 L CA 0.919 55.690 54.840 -0.116 0.000 0.763 2230 L CB -0.500 41.380 42.059 -0.298 0.000 0.908 2230 L HN 0.201 nan 8.230 nan 0.000 0.437 2231 V N -0.009 119.909 119.914 0.007 0.000 3.078 2231 V HA -0.201 3.920 4.120 0.000 0.000 0.265 2231 V C 1.942 178.076 176.094 0.068 0.000 1.122 2231 V CA 1.243 63.681 62.300 0.230 0.000 1.141 2231 V CB -0.177 31.445 31.823 -0.336 0.000 0.735 2231 V HN 0.399 nan 8.190 nan 0.000 0.498 2232 L N -1.357 119.819 121.223 -0.079 0.000 2.609 2232 L HA 0.237 4.577 4.340 0.000 0.000 0.230 2232 L C 1.200 177.998 176.870 -0.119 0.000 1.087 2232 L CA 0.164 54.922 54.840 -0.137 0.000 0.874 2232 L CB 0.330 42.296 42.059 -0.156 0.000 1.114 2232 L HN 0.221 nan 8.230 nan 0.000 0.488 2233 S N 1.400 117.070 115.700 -0.049 0.000 2.523 2233 S HA 0.224 4.694 4.470 0.000 0.000 0.275 2233 S C -1.371 173.260 174.600 0.052 0.000 1.281 2233 S CA -1.348 56.855 58.200 0.006 0.000 1.050 2233 S CB 0.956 64.181 63.200 0.041 0.000 0.937 2233 S HN -0.020 nan 8.310 nan 0.000 0.492 2234 P HA 0.006 nan 4.420 nan 0.000 0.229 2234 P C 1.391 178.766 177.300 0.126 0.000 1.160 2234 P CA 0.526 63.661 63.100 0.058 0.000 0.777 2234 P CB 0.099 31.808 31.700 0.015 0.000 0.814 2235 L N -0.329 120.963 121.223 0.115 0.000 2.141 2235 L HA -0.034 4.306 4.340 0.000 0.000 0.209 2235 L C 2.341 179.284 176.870 0.123 0.000 1.094 2235 L CA 1.396 56.297 54.840 0.102 0.000 0.763 2235 L CB -0.793 41.316 42.059 0.084 0.000 0.908 2235 L HN -0.044 nan 8.230 nan 0.000 0.437 2236 A N -1.227 121.713 122.820 0.200 0.000 2.307 2236 A HA 0.015 4.335 4.320 0.000 0.000 0.218 2236 A C 1.858 179.397 177.584 -0.073 0.000 1.228 2236 A CA -0.069 52.070 52.037 0.171 0.000 0.857 2236 A CB -0.137 19.063 19.000 0.333 0.000 0.897 2236 A HN 0.098 nan 8.150 nan 0.000 0.495 2237 K N 1.376 121.816 120.400 0.067 0.000 2.031 2237 K HA -0.215 4.105 4.320 0.000 0.000 0.228 2237 K C 0.261 176.637 176.600 -0.374 0.000 1.050 2237 K CA 1.912 58.184 56.287 -0.026 0.000 0.980 2237 K CB -0.336 32.212 32.500 0.080 0.000 0.738 2237 K HN 0.622 nan 8.250 nan 0.000 0.451 2238 N N 0.608 119.170 118.700 -0.231 0.000 2.321 2238 N HA 0.089 4.829 4.740 0.000 0.000 0.242 2238 N C 1.045 176.394 175.510 -0.267 0.000 1.141 2238 N CA 0.075 52.977 53.050 -0.248 0.000 0.864 2238 N CB 0.508 38.937 38.487 -0.097 0.000 1.100 2238 N HN 0.170 nan 8.380 nan 0.000 0.510 2239 L N -0.268 120.780 121.223 -0.292 0.000 2.554 2239 L HA 0.262 4.602 4.340 0.000 0.000 0.225 2239 L C -0.192 176.623 176.870 -0.091 0.000 1.104 2239 L CA 0.327 55.100 54.840 -0.111 0.000 0.866 2239 L CB -0.085 42.005 42.059 0.053 0.000 1.047 2239 L HN 0.056 nan 8.230 nan 0.000 0.468 2240 F N -4.568 115.087 119.950 -0.491 0.000 2.686 2240 F HA 0.465 4.992 4.527 0.000 0.000 0.311 2240 F C 0.353 175.723 175.800 -0.715 0.000 1.128 2240 F CA -1.024 56.671 58.000 -0.509 0.000 0.946 2240 F CB 0.770 39.617 39.000 -0.255 0.000 1.336 2240 F HN -0.153 nan 8.300 nan 0.000 0.457 2241 H N -0.231 118.854 119.070 0.025 0.000 3.170 2241 H HA 0.455 5.011 4.556 0.000 0.000 0.264 2241 H C -0.348 174.980 175.328 0.001 0.000 1.113 2241 H CA -0.066 55.939 56.048 -0.071 0.000 1.194 2241 H CB 0.790 30.509 29.762 -0.071 0.000 1.553 2241 H HN 0.500 nan 8.280 nan 0.000 0.538 2242 R N 0.178 120.805 120.500 0.211 0.000 2.710 2242 R HA 0.694 5.034 4.340 0.000 0.000 0.270 2242 R C -1.370 175.132 176.300 0.336 0.000 1.021 2242 R CA -0.495 55.708 56.100 0.172 0.000 0.889 2242 R CB 2.241 32.469 30.300 -0.120 0.000 1.243 2242 R HN 0.148 nan 8.270 nan 0.000 0.464 2243 A N 1.850 124.917 122.820 0.412 0.000 2.455 2243 A HA 0.787 5.107 4.320 0.000 0.000 0.300 2243 A C -1.280 176.543 177.584 0.399 0.000 1.040 2243 A CA -0.596 51.587 52.037 0.243 0.000 0.697 2243 A CB 1.057 19.974 19.000 -0.139 0.000 1.265 2243 A HN 0.582 nan 8.150 nan 0.000 0.407 2244 I N 1.663 122.388 120.570 0.259 0.000 2.468 2244 I HA 0.313 4.483 4.170 0.000 0.000 0.285 2244 I C -0.224 176.023 176.117 0.217 0.000 1.039 2244 I CA -0.237 61.149 61.300 0.143 0.000 1.074 2244 I CB 2.269 40.261 38.000 -0.013 0.000 1.228 2244 I HN 0.491 nan 8.210 nan 0.000 0.436 2245 S N 5.247 121.044 115.700 0.162 0.000 2.438 2245 S HA 0.350 4.820 4.470 0.000 0.000 0.316 2245 S C -0.428 174.229 174.600 0.095 0.000 1.084 2245 S CA -0.629 57.639 58.200 0.113 0.000 1.107 2245 S CB 0.885 64.147 63.200 0.103 0.000 0.981 2245 S HN 0.476 nan 8.310 nan 0.000 0.466 2246 E N 1.751 122.057 120.200 0.177 0.000 2.115 2246 E HA 0.311 4.661 4.350 0.000 0.000 0.282 2246 E C -0.258 176.419 176.600 0.128 0.000 0.987 2246 E CA -0.452 56.089 56.400 0.234 0.000 0.797 2246 E CB 0.928 30.849 29.700 0.369 0.000 1.086 2246 E HN 0.623 nan 8.360 nan 0.000 0.397 2247 S N 2.032 117.782 115.700 0.083 0.000 3.550 2247 S HA -0.165 4.305 4.470 0.000 0.000 0.372 2247 S C 0.019 174.828 174.600 0.348 0.000 0.966 2247 S CA 0.621 58.881 58.200 0.100 0.000 1.229 2247 S CB -1.062 62.108 63.200 -0.050 0.000 0.917 2247 S HN 0.909 nan 8.310 nan 0.000 0.496 2248 G N -0.897 108.079 108.800 0.294 0.000 2.219 2248 G HA2 0.502 4.462 3.960 0.000 0.000 0.304 2248 G HA3 0.502 4.462 3.960 0.000 0.000 0.304 2248 G C -0.918 174.031 174.900 0.082 0.000 1.712 2248 G CA 0.039 45.296 45.100 0.262 0.000 0.905 2248 G HN 1.433 nan 8.290 nan 0.000 0.706 2249 V N -0.610 119.313 119.914 0.015 0.000 3.181 2249 V HA 0.911 5.031 4.120 0.000 0.000 0.308 2249 V C 1.286 177.334 176.094 -0.077 0.000 1.214 2249 V CA -0.066 62.216 62.300 -0.030 0.000 1.053 2249 V CB 1.235 33.030 31.823 -0.047 0.000 1.069 2249 V HN 2.158 nan 8.190 nan 0.000 0.441 2250 A N 0.257 123.024 122.820 -0.089 0.000 2.186 2250 A HA 0.088 4.408 4.320 0.000 0.000 0.219 2250 A C 1.475 178.985 177.584 -0.123 0.000 1.159 2250 A CA 1.684 53.651 52.037 -0.116 0.000 0.680 2250 A CB -0.720 18.203 19.000 -0.128 0.000 0.787 2250 A HN 0.847 nan 8.150 nan 0.000 0.467 2251 L N -0.177 120.972 121.223 -0.122 0.000 2.653 2251 L HA 0.067 4.407 4.340 0.000 0.000 0.231 2251 L C 0.075 176.833 176.870 -0.187 0.000 1.153 2251 L CA -0.032 54.724 54.840 -0.139 0.000 0.933 2251 L CB 0.023 42.015 42.059 -0.113 0.000 1.175 2251 L HN 0.103 nan 8.230 nan 0.000 0.473 2252 T N 0.071 114.502 114.554 -0.205 0.000 3.414 2252 T HA 0.011 4.361 4.350 0.000 0.000 0.304 2252 T C 1.514 176.054 174.700 -0.266 0.000 1.241 2252 T CA 0.195 62.118 62.100 -0.295 0.000 1.076 2252 T CB 0.556 69.232 68.868 -0.319 0.000 1.134 2252 T HN 0.400 nan 8.240 nan 0.000 0.759 2253 S N 2.161 117.698 115.700 -0.272 0.000 2.434 2253 S HA -0.182 4.288 4.470 0.000 0.000 0.243 2253 S C 2.108 176.569 174.600 -0.232 0.000 1.045 2253 S CA 1.492 59.541 58.200 -0.252 0.000 1.019 2253 S CB -0.665 62.357 63.200 -0.296 0.000 0.811 2253 S HN 0.492 nan 8.310 nan 0.000 0.485 2254 V N 1.258 121.023 119.914 -0.247 0.000 2.407 2254 V HA -0.004 4.116 4.120 0.000 0.000 0.248 2254 V C 2.175 178.167 176.094 -0.170 0.000 1.055 2254 V CA 1.882 64.062 62.300 -0.201 0.000 1.049 2254 V CB -0.458 31.249 31.823 -0.194 0.000 0.662 2254 V HN 0.668 nan 8.190 nan 0.000 0.455 2255 L N -0.303 120.815 121.223 -0.176 0.000 2.341 2255 L HA 0.116 4.456 4.340 0.000 0.000 0.214 2255 L C 0.561 177.331 176.870 -0.167 0.000 1.115 2255 L CA 0.219 54.956 54.840 -0.172 0.000 0.820 2255 L CB 0.077 42.047 42.059 -0.147 0.000 0.944 2255 L HN 0.132 nan 8.230 nan 0.000 0.452 2256 V N 1.405 121.229 119.914 -0.150 0.000 2.357 2256 V HA 0.225 4.345 4.120 0.000 0.000 0.284 2256 V C -0.051 175.969 176.094 -0.122 0.000 1.018 2256 V CA -0.901 61.323 62.300 -0.127 0.000 0.841 2256 V CB 1.458 33.209 31.823 -0.120 0.000 0.991 2256 V HN 0.043 nan 8.190 nan 0.000 0.437 2257 K N 4.745 125.081 120.400 -0.108 0.000 2.316 2257 K HA 0.335 4.655 4.320 0.000 0.000 0.289 2257 K C -0.122 176.427 176.600 -0.084 0.000 1.070 2257 K CA -0.621 55.609 56.287 -0.095 0.000 0.928 2257 K CB 1.191 33.638 32.500 -0.090 0.000 1.039 2257 K HN 0.653 nan 8.250 nan 0.000 0.480 2258 K N 0.654 121.005 120.400 -0.081 0.000 2.098 2258 K HA 0.698 5.018 4.320 0.000 0.000 0.258 2258 K C 0.697 177.263 176.600 -0.056 0.000 0.973 2258 K CA -0.488 55.756 56.287 -0.071 0.000 0.898 2258 K CB 0.678 33.131 32.500 -0.079 0.000 1.057 2258 K HN 0.626 nan 8.250 nan 0.000 0.447 2259 G N 0.687 109.457 108.800 -0.050 0.000 2.593 2259 G HA2 -0.253 3.707 3.960 0.000 0.000 0.237 2259 G HA3 -0.253 3.707 3.960 0.000 0.000 0.237 2259 G C -1.218 173.656 174.900 -0.043 0.000 1.312 2259 G CA 0.008 45.084 45.100 -0.040 0.000 0.896 2259 G HN 0.983 nan 8.290 nan 0.000 0.574 2260 D N -0.081 120.297 120.400 -0.036 0.000 2.343 2260 D HA 0.403 5.043 4.640 0.000 0.000 0.255 2260 D C 1.608 177.880 176.300 -0.047 0.000 1.187 2260 D CA 0.622 54.599 54.000 -0.039 0.000 0.875 2260 D CB 1.251 42.035 40.800 -0.028 0.000 1.136 2260 D HN 1.255 nan 8.370 nan 0.000 0.469 2261 V N 1.738 121.612 119.914 -0.067 0.000 3.647 2261 V HA 0.200 4.320 4.120 0.000 0.000 0.279 2261 V C 1.904 177.941 176.094 -0.094 0.000 1.314 2261 V CA -0.004 62.245 62.300 -0.085 0.000 1.125 2261 V CB -0.114 31.636 31.823 -0.121 0.000 0.907 2261 V HN 0.300 nan 8.190 nan 0.000 0.434 2262 K N 2.036 122.392 120.400 -0.073 0.000 2.074 2262 K HA -0.034 4.286 4.320 0.000 0.000 0.209 2262 K C -0.248 176.330 176.600 -0.036 0.000 1.048 2262 K CA 2.232 58.483 56.287 -0.060 0.000 0.926 2262 K CB -1.580 30.900 32.500 -0.032 0.000 0.713 2262 K HN 0.452 nan 8.250 nan 0.000 0.444 2263 P HA -0.164 nan 4.420 nan 0.000 0.215 2263 P C 1.190 178.496 177.300 0.009 0.000 1.157 2263 P CA 0.991 64.089 63.100 -0.004 0.000 0.868 2263 P CB 0.021 31.719 31.700 -0.004 0.000 0.788 2264 L N -0.888 120.335 121.223 0.001 0.000 2.156 2264 L HA 0.004 4.344 4.340 0.000 0.000 0.208 2264 L C 2.113 179.016 176.870 0.054 0.000 1.095 2264 L CA 1.622 56.483 54.840 0.035 0.000 0.770 2264 L CB -1.463 40.614 42.059 0.030 0.000 0.914 2264 L HN -0.147 nan 8.230 nan 0.000 0.439 2265 A N -0.567 122.238 122.820 -0.025 0.000 1.858 2265 A HA -0.216 4.104 4.320 0.000 0.000 0.216 2265 A C 2.166 179.861 177.584 0.185 0.000 1.190 2265 A CA 1.800 53.831 52.037 -0.010 0.000 0.617 2265 A CB -0.630 18.221 19.000 -0.249 0.000 0.827 2265 A HN 0.572 nan 8.150 nan 0.000 0.443 2266 E N -0.789 119.463 120.200 0.088 0.000 2.110 2266 E HA -0.262 4.088 4.350 0.000 0.000 0.193 2266 E C 2.252 178.895 176.600 0.073 0.000 0.988 2266 E CA 1.317 57.764 56.400 0.078 0.000 0.804 2266 E CB -0.177 29.546 29.700 0.040 0.000 0.745 2266 E HN 0.811 nan 8.360 nan 0.000 0.458 2267 Q N 0.758 120.599 119.800 0.069 0.000 2.119 2267 Q HA -0.161 4.179 4.340 0.000 0.000 0.201 2267 Q C 2.140 178.182 176.000 0.070 0.000 0.972 2267 Q CA 1.024 56.860 55.803 0.055 0.000 0.847 2267 Q CB 0.036 28.804 28.738 0.049 0.000 0.903 2267 Q HN 0.311 nan 8.270 nan 0.000 0.433 2268 I N 0.512 121.160 120.570 0.129 0.000 2.252 2268 I HA -0.224 3.946 4.170 0.000 0.000 0.245 2268 I C 2.439 178.588 176.117 0.053 0.000 1.102 2268 I CA 0.874 62.256 61.300 0.136 0.000 1.385 2268 I CB -0.401 37.765 38.000 0.276 0.000 1.064 2268 I HN 0.262 nan 8.210 nan 0.000 0.414 2269 A N 1.180 124.039 122.820 0.064 0.000 1.877 2269 A HA -0.167 4.153 4.320 0.000 0.000 0.216 2269 A C 2.301 179.879 177.584 -0.009 0.000 1.186 2269 A CA 1.453 53.486 52.037 -0.008 0.000 0.620 2269 A CB -0.781 18.235 19.000 0.027 0.000 0.822 2269 A HN 0.358 nan 8.150 nan 0.000 0.443 2270 I N -0.455 120.122 120.570 0.011 0.000 2.179 2270 I HA -0.223 3.947 4.170 0.000 0.000 0.242 2270 I C 2.512 178.624 176.117 -0.008 0.000 1.088 2270 I CA 1.790 63.091 61.300 0.001 0.000 1.357 2270 I CB -0.782 37.222 38.000 0.007 0.000 1.051 2270 I HN 0.250 nan 8.210 nan 0.000 0.409 2271 T N 0.811 115.361 114.554 -0.006 0.000 2.803 2271 T HA -0.129 4.221 4.350 0.000 0.000 0.269 2271 T C 1.736 176.422 174.700 -0.023 0.000 1.052 2271 T CA 1.432 63.522 62.100 -0.017 0.000 1.136 2271 T CB -0.213 68.643 68.868 -0.020 0.000 0.864 2271 T HN 0.487 nan 8.240 nan 0.000 0.467 2272 A N 0.259 123.061 122.820 -0.030 0.000 2.251 2272 A HA 0.531 4.851 4.320 0.000 0.000 0.209 2272 A C 1.697 179.258 177.584 -0.039 0.000 1.187 2272 A CA 0.607 52.618 52.037 -0.043 0.000 0.823 2272 A CB -0.596 18.359 19.000 -0.074 0.000 0.846 2272 A HN 0.727 nan 8.150 nan 0.000 0.486 2273 G N -1.588 107.194 108.800 -0.029 0.000 2.204 2273 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 2273 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 2273 G C -0.035 174.849 174.900 -0.027 0.000 1.062 2273 G CA 0.029 45.114 45.100 -0.024 0.000 0.798 2273 G HN 0.603 nan 8.290 nan 0.000 0.496 2274 c N 0.041 118.624 118.600 -0.029 0.000 2.529 2274 c HA 0.695 5.265 4.570 0.000 0.000 0.329 2274 c C 0.839 174.922 174.090 -0.013 0.000 1.194 2274 c CA -1.008 55.304 56.329 -0.029 0.000 1.779 2274 c CB 1.579 44.058 42.510 -0.051 0.000 2.322 2274 c HN 0.550 nan 8.230 nan 0.000 0.500 2275 K N 0.733 121.129 120.400 -0.006 0.000 2.202 2275 K HA 0.344 4.665 4.320 0.000 0.000 0.264 2275 K C 0.707 177.310 176.600 0.005 0.000 1.010 2275 K CA 0.126 56.413 56.287 0.001 0.000 0.940 2275 K CB 0.532 33.034 32.500 0.003 0.000 0.983 2275 K HN 0.849 nan 8.250 nan 0.000 0.475 2276 T N -2.399 112.161 114.554 0.009 0.000 3.215 2276 T HA 0.045 4.396 4.350 0.000 0.000 0.271 2276 T C 1.123 175.828 174.700 0.009 0.000 1.012 2276 T CA -0.388 61.721 62.100 0.016 0.000 0.899 2276 T CB -0.043 68.837 68.868 0.020 0.000 1.089 2276 T HN 0.435 nan 8.240 nan 0.000 0.552 2277 T N 2.888 117.444 114.554 0.002 0.000 2.620 2277 T HA -0.093 4.257 4.350 0.000 0.000 0.267 2277 T C 1.200 175.894 174.700 -0.009 0.000 1.044 2277 T CA 2.115 64.213 62.100 -0.003 0.000 1.161 2277 T CB -0.494 68.370 68.868 -0.006 0.000 0.862 2277 T HN 0.863 nan 8.240 nan 0.000 0.438 2278 T N -2.748 111.794 114.554 -0.020 0.000 2.787 2278 T HA 0.508 4.858 4.350 0.000 0.000 0.297 2278 T C 0.940 175.611 174.700 -0.049 0.000 1.221 2278 T CA -0.314 61.763 62.100 -0.038 0.000 1.006 2278 T CB 1.625 70.449 68.868 -0.072 0.000 1.328 2278 T HN -0.165 nan 8.240 nan 0.000 0.509 2279 S N 0.257 115.917 115.700 -0.066 0.000 2.359 2279 S HA -0.055 4.415 4.470 0.000 0.000 0.224 2279 S C 2.477 177.003 174.600 -0.123 0.000 1.035 2279 S CA 1.617 59.795 58.200 -0.037 0.000 1.018 2279 S CB -1.036 62.204 63.200 0.068 0.000 0.876 2279 S HN 0.944 nan 8.310 nan 0.000 0.448 2280 A N 0.911 123.476 122.820 -0.424 0.000 1.908 2280 A HA -0.082 4.238 4.320 0.000 0.000 0.218 2280 A C 2.336 179.869 177.584 -0.084 0.000 1.181 2280 A CA 1.638 53.464 52.037 -0.351 0.000 0.627 2280 A CB -0.949 17.757 19.000 -0.490 0.000 0.818 2280 A HN 0.351 nan 8.150 nan 0.000 0.445 2281 V N -0.063 119.808 119.914 -0.070 0.000 2.295 2281 V HA -0.341 3.779 4.120 0.000 0.000 0.246 2281 V C 2.668 178.782 176.094 0.034 0.000 1.049 2281 V CA 2.352 64.656 62.300 0.007 0.000 1.024 2281 V CB -0.675 31.145 31.823 -0.006 0.000 0.648 2281 V HN 0.596 nan 8.190 nan 0.000 0.447 2282 M N -0.764 118.845 119.600 0.016 0.000 2.065 2282 M HA -0.175 4.305 4.480 0.000 0.000 0.259 2282 M C 2.219 178.493 176.300 -0.043 0.000 1.069 2282 M CA 1.863 57.167 55.300 0.007 0.000 1.110 2282 M CB -0.663 31.984 32.600 0.080 0.000 1.328 2282 M HN 0.247 nan 8.290 nan 0.000 0.405 2283 V N -0.213 119.708 119.914 0.013 0.000 2.231 2283 V HA -0.344 3.776 4.120 0.000 0.000 0.248 2283 V C 2.323 178.434 176.094 0.029 0.000 1.054 2283 V CA 2.616 64.910 62.300 -0.010 0.000 1.015 2283 V CB -1.242 30.652 31.823 0.120 0.000 0.638 2283 V HN 0.496 nan 8.190 nan 0.000 0.444 2284 H N -0.674 118.393 119.070 -0.004 0.000 2.353 2284 H HA -0.245 4.312 4.556 0.000 0.000 0.298 2284 H C 2.373 177.696 175.328 -0.008 0.000 1.103 2284 H CA 2.325 58.376 56.048 0.004 0.000 1.293 2284 H CB -0.693 29.065 29.762 -0.006 0.000 1.372 2284 H HN 0.507 nan 8.280 nan 0.000 0.501 2285 c N -0.159 118.372 118.600 -0.115 0.000 2.436 2285 c HA -0.082 4.488 4.570 0.000 0.000 0.277 2285 c C 2.851 176.846 174.090 -0.159 0.000 1.241 2285 c CA 1.010 57.245 56.329 -0.157 0.000 1.721 2285 c CB -1.445 41.025 42.510 -0.067 0.000 2.043 2285 c HN 0.669 nan 8.230 nan 0.000 0.472 2286 L N 0.415 121.551 121.223 -0.145 0.000 2.127 2286 L HA -0.157 4.183 4.340 0.000 0.000 0.211 2286 L C 2.990 179.859 176.870 -0.002 0.000 1.089 2286 L CA 1.611 56.378 54.840 -0.122 0.000 0.757 2286 L CB -0.660 41.210 42.059 -0.315 0.000 0.899 2286 L HN 0.401 nan 8.230 nan 0.000 0.434 2287 R N -0.553 119.946 120.500 -0.002 0.000 2.148 2287 R HA -0.102 4.238 4.340 0.000 0.000 0.223 2287 R C 1.990 178.221 176.300 -0.115 0.000 1.088 2287 R CA 0.663 56.742 56.100 -0.034 0.000 0.985 2287 R CB -0.071 30.218 30.300 -0.018 0.000 0.880 2287 R HN 0.405 nan 8.270 nan 0.000 0.451 2288 Q N 0.686 120.379 119.800 -0.179 0.000 2.472 2288 Q HA 0.043 4.383 4.340 0.000 0.000 0.208 2288 Q C 0.048 175.991 176.000 -0.095 0.000 0.958 2288 Q CA 0.717 56.426 55.803 -0.158 0.000 0.932 2288 Q CB 0.206 28.818 28.738 -0.211 0.000 1.007 2288 Q HN 0.046 nan 8.270 nan 0.000 0.508 2289 K N 1.895 122.245 120.400 -0.084 0.000 2.185 2289 K HA 0.153 4.473 4.320 0.000 0.000 0.271 2289 K C 0.551 177.136 176.600 -0.026 0.000 1.013 2289 K CA -0.071 56.182 56.287 -0.055 0.000 0.943 2289 K CB 0.758 33.218 32.500 -0.067 0.000 0.998 2289 K HN 0.144 nan 8.250 nan 0.000 0.468 2290 T N -2.169 112.384 114.554 -0.002 0.000 2.860 2290 T HA 0.027 4.377 4.350 0.000 0.000 0.299 2290 T C 1.306 176.058 174.700 0.086 0.000 1.045 2290 T CA -0.397 61.719 62.100 0.026 0.000 1.071 2290 T CB 0.998 69.878 68.868 0.021 0.000 0.985 2290 T HN 0.634 nan 8.240 nan 0.000 0.537 2291 E N 0.581 120.857 120.200 0.125 0.000 2.097 2291 E HA -0.247 4.103 4.350 0.000 0.000 0.196 2291 E C 1.685 178.448 176.600 0.271 0.000 1.000 2291 E CA 1.783 58.342 56.400 0.264 0.000 0.804 2291 E CB -0.076 29.695 29.700 0.119 0.000 0.740 2291 E HN 0.833 nan 8.360 nan 0.000 0.454 2292 E N 0.711 120.992 120.200 0.135 0.000 2.106 2292 E HA -0.168 4.182 4.350 0.000 0.000 0.192 2292 E C 1.884 178.545 176.600 0.101 0.000 0.984 2292 E CA 1.355 57.820 56.400 0.108 0.000 0.806 2292 E CB -0.107 29.625 29.700 0.054 0.000 0.750 2292 E HN 0.413 nan 8.360 nan 0.000 0.458 2293 E N 0.488 120.731 120.200 0.073 0.000 2.106 2293 E HA -0.100 4.251 4.350 0.000 0.000 0.192 2293 E C 2.069 178.689 176.600 0.033 0.000 0.984 2293 E CA 0.685 57.108 56.400 0.037 0.000 0.806 2293 E CB -0.136 29.568 29.700 0.007 0.000 0.750 2293 E HN 0.257 nan 8.360 nan 0.000 0.458 2294 L N 0.638 121.886 121.223 0.041 0.000 2.093 2294 L HA -0.138 4.203 4.340 0.000 0.000 0.208 2294 L C 2.524 179.421 176.870 0.046 0.000 1.085 2294 L CA 0.336 55.130 54.840 -0.077 0.000 0.755 2294 L CB -0.265 41.592 42.059 -0.337 0.000 0.904 2294 L HN 0.185 nan 8.230 nan 0.000 0.435 2295 L N -0.041 121.363 121.223 0.302 0.000 2.093 2295 L HA -0.162 4.178 4.340 0.000 0.000 0.208 2295 L C 2.307 179.284 176.870 0.178 0.000 1.085 2295 L CA 1.721 56.781 54.840 0.367 0.000 0.755 2295 L CB -0.540 41.713 42.059 0.323 0.000 0.904 2295 L HN 0.181 nan 8.230 nan 0.000 0.435 2296 E N -1.166 119.101 120.200 0.112 0.000 2.110 2296 E HA -0.193 4.157 4.350 0.000 0.000 0.193 2296 E C 1.863 178.487 176.600 0.040 0.000 0.988 2296 E CA 1.641 58.079 56.400 0.062 0.000 0.804 2296 E CB 0.013 29.737 29.700 0.039 0.000 0.745 2296 E HN 0.563 nan 8.360 nan 0.000 0.458 2297 T N 0.110 114.683 114.554 0.032 0.000 2.746 2297 T HA -0.134 4.216 4.350 0.000 0.000 0.267 2297 T C 1.908 176.626 174.700 0.030 0.000 1.039 2297 T CA 1.628 63.733 62.100 0.008 0.000 1.142 2297 T CB -0.398 68.459 68.868 -0.017 0.000 0.866 2297 T HN 0.192 nan 8.240 nan 0.000 0.444 2298 T N 2.523 117.138 114.554 0.101 0.000 2.652 2298 T HA -0.068 4.282 4.350 0.000 0.000 0.267 2298 T C 1.869 176.626 174.700 0.095 0.000 1.039 2298 T CA 0.929 63.155 62.100 0.209 0.000 1.153 2298 T CB -0.512 68.547 68.868 0.318 0.000 0.863 2298 T HN 0.075 nan 8.240 nan 0.000 0.428 2299 L N 1.064 122.336 121.223 0.081 0.000 2.127 2299 L HA -0.061 4.279 4.340 0.000 0.000 0.211 2299 L C 2.340 179.187 176.870 -0.038 0.000 1.089 2299 L CA 1.614 56.473 54.840 0.032 0.000 0.757 2299 L CB -0.691 41.392 42.059 0.040 0.000 0.899 2299 L HN 0.229 nan 8.230 nan 0.000 0.434 2300 K N -1.355 119.014 120.400 -0.052 0.000 2.057 2300 K HA -0.117 4.203 4.320 0.000 0.000 0.206 2300 K C 1.949 178.446 176.600 -0.172 0.000 1.050 2300 K CA 1.100 57.336 56.287 -0.085 0.000 0.935 2300 K CB -0.179 32.284 32.500 -0.062 0.000 0.715 2300 K HN 0.200 nan 8.250 nan 0.000 0.439 2301 M N 1.105 120.530 119.600 -0.293 0.000 2.446 2301 M HA -0.095 4.385 4.480 0.000 0.000 0.263 2301 M C 0.001 175.922 176.300 -0.631 0.000 1.066 2301 M CA 1.165 56.111 55.300 -0.589 0.000 1.087 2301 M CB -0.805 31.087 32.600 -1.181 0.000 1.406 2301 M HN 0.093 nan 8.290 nan 0.000 0.459 2302 K N 0.628 120.795 120.400 -0.388 0.000 3.451 2302 K HA -0.185 4.135 4.320 0.000 0.000 0.273 2302 K C -0.543 175.952 176.600 -0.175 0.000 0.944 2302 K CA 0.178 56.340 56.287 -0.208 0.000 0.734 2302 K CB -2.180 30.240 32.500 -0.133 0.000 1.437 2302 K HN 0.193 nan 8.250 nan 0.000 0.454 2303 F N 0.228 120.197 119.950 0.030 0.000 2.399 2303 F HA 0.165 4.692 4.527 0.000 0.000 0.313 2303 F C 2.049 177.866 175.800 0.028 0.000 1.202 2303 F CA -0.250 57.769 58.000 0.031 0.000 1.192 2303 F CB 0.370 39.398 39.000 0.046 0.000 1.256 2303 F HN 0.146 nan 8.300 nan 0.000 0.558 2304 L N -0.037 121.340 121.223 0.256 0.000 4.367 2304 L HA -0.291 4.049 4.340 0.000 0.000 0.424 2304 L C -0.452 176.482 176.870 0.106 0.000 1.152 2304 L CA 0.182 55.109 54.840 0.145 0.000 0.974 2304 L CB -2.190 39.940 42.059 0.118 0.000 2.012 2304 L HN 0.456 nan 8.230 nan 0.000 0.922 2305 S N 0.000 115.757 115.700 0.095 0.000 2.521 2305 S HA 0.630 5.100 4.470 0.000 0.000 0.295 2305 S C -0.338 174.288 174.600 0.044 0.000 1.098 2305 S CA -0.681 57.554 58.200 0.058 0.000 0.999 2305 S CB 2.464 65.678 63.200 0.024 0.000 1.034 2305 S HN 0.202 nan 8.310 nan 0.000 0.483 2306 L N 3.691 124.930 121.223 0.027 0.000 2.530 2306 L HA 0.240 4.580 4.340 0.000 0.000 0.273 2306 L C -0.209 176.619 176.870 -0.069 0.000 1.141 2306 L CA 0.186 54.998 54.840 -0.047 0.000 0.905 2306 L CB -0.127 41.792 42.059 -0.233 0.000 1.202 2306 L HN 0.528 nan 8.230 nan 0.000 0.473 2307 D N 4.721 125.088 120.400 -0.055 0.000 2.393 2307 D HA 0.090 4.730 4.640 0.000 0.000 0.232 2307 D C 0.858 177.116 176.300 -0.070 0.000 1.192 2307 D CA 0.066 54.032 54.000 -0.056 0.000 0.882 2307 D CB 0.539 41.311 40.800 -0.047 0.000 1.038 2307 D HN 0.630 nan 8.370 nan 0.000 0.499 2308 L N 2.170 123.353 121.223 -0.066 0.000 2.554 2308 L HA 0.076 4.416 4.340 0.000 0.000 0.226 2308 L C 0.758 177.610 176.870 -0.030 0.000 1.137 2308 L CA 0.401 55.207 54.840 -0.057 0.000 0.863 2308 L CB -0.145 41.880 42.059 -0.057 0.000 0.985 2308 L HN 0.305 nan 8.230 nan 0.000 0.451 2309 Q N -0.211 119.571 119.800 -0.030 0.000 2.365 2309 Q HA 0.633 4.973 4.340 0.000 0.000 0.269 2309 Q C -0.056 175.933 176.000 -0.019 0.000 1.061 2309 Q CA -0.394 55.399 55.803 -0.016 0.000 0.816 2309 Q CB 2.387 31.115 28.738 -0.015 0.000 1.325 2309 Q HN 0.122 nan 8.270 nan 0.000 0.446 2310 G N 1.793 110.590 108.800 -0.006 0.000 2.705 2310 G HA2 -0.197 3.763 3.960 0.000 0.000 0.686 2310 G HA3 -0.197 3.763 3.960 0.000 0.000 0.686 2310 G C -0.927 173.966 174.900 -0.012 0.000 1.285 2310 G CA -0.700 44.395 45.100 -0.008 0.000 0.800 2310 G HN 0.768 nan 8.290 nan 0.000 0.611 2311 D N 1.764 122.162 120.400 -0.004 0.000 2.531 2311 D HA 0.123 4.764 4.640 0.000 0.000 0.239 2311 D C -0.563 175.670 176.300 -0.113 0.000 1.144 2311 D CA -0.565 53.429 54.000 -0.010 0.000 0.869 2311 D CB 1.037 41.843 40.800 0.008 0.000 1.160 2311 D HN 0.053 nan 8.370 nan 0.000 0.484 2312 P HA -0.070 nan 4.420 nan 0.000 0.218 2312 P C 1.000 178.091 177.300 -0.349 0.000 1.149 2312 P CA 0.984 63.850 63.100 -0.390 0.000 0.817 2312 P CB 0.210 31.416 31.700 -0.825 0.000 0.785 2313 R N 0.222 120.443 120.500 -0.465 0.000 2.285 2313 R HA -0.064 4.276 4.340 0.000 0.000 0.213 2313 R C 1.166 177.385 176.300 -0.134 0.000 1.068 2313 R CA 0.879 56.727 56.100 -0.421 0.000 1.004 2313 R CB -0.421 29.602 30.300 -0.462 0.000 0.873 2313 R HN 0.465 nan 8.270 nan 0.000 0.467 2314 E N 0.503 120.645 120.200 -0.098 0.000 2.939 2314 E HA 0.098 4.448 4.350 0.000 0.000 0.215 2314 E C -0.942 175.643 176.600 -0.024 0.000 1.025 2314 E CA -0.439 55.936 56.400 -0.041 0.000 1.259 2314 E CB 0.792 30.472 29.700 -0.033 0.000 1.228 2314 E HN -0.014 nan 8.360 nan 0.000 0.443 2315 S N 0.780 116.471 115.700 -0.016 0.000 2.605 2315 S HA 0.311 4.781 4.470 0.000 0.000 0.308 2315 S C -0.360 174.264 174.600 0.041 0.000 1.113 2315 S CA -0.985 57.215 58.200 0.001 0.000 1.049 2315 S CB 1.620 64.806 63.200 -0.023 0.000 1.001 2315 S HN 0.154 nan 8.310 nan 0.000 0.480 2316 Q N 3.462 123.313 119.800 0.085 0.000 2.465 2316 Q HA 0.291 4.631 4.340 0.000 0.000 0.237 2316 Q C -1.853 174.303 176.000 0.259 0.000 1.051 2316 Q CA -2.051 53.840 55.803 0.147 0.000 0.874 2316 Q CB 1.571 30.427 28.738 0.196 0.000 1.207 2316 Q HN 0.602 nan 8.270 nan 0.000 0.508 2317 P HA -0.020 nan 4.420 nan 0.000 0.233 2317 P C -0.041 177.400 177.300 0.235 0.000 1.167 2317 P CA 0.689 63.924 63.100 0.224 0.000 0.770 2317 P CB 0.798 32.565 31.700 0.112 0.000 0.837 2318 L N -1.345 119.921 121.223 0.070 0.000 2.491 2318 L HA 0.459 4.799 4.340 0.000 0.000 0.254 2318 L C -0.471 176.222 176.870 -0.295 0.000 1.048 2318 L CA -1.132 53.586 54.840 -0.204 0.000 0.855 2318 L CB 2.177 44.138 42.059 -0.162 0.000 1.466 2318 L HN -0.337 nan 8.230 nan 0.000 0.409 2319 L N 1.108 122.077 121.223 -0.424 0.000 2.324 2319 L HA 0.630 4.970 4.340 0.000 0.000 0.274 2319 L C 0.238 176.922 176.870 -0.310 0.000 1.012 2319 L CA -0.182 54.497 54.840 -0.269 0.000 0.859 2319 L CB 1.239 43.170 42.059 -0.212 0.000 1.224 2319 L HN 0.771 nan 8.230 nan 0.000 0.429 2320 G N 1.510 110.135 108.800 -0.293 0.000 3.122 2320 G HA2 0.419 4.379 3.960 0.000 0.000 0.180 2320 G HA3 0.419 4.379 3.960 0.000 0.000 0.180 2320 G C -0.411 174.301 174.900 -0.313 0.000 1.279 2320 G CA -0.316 44.502 45.100 -0.470 0.000 0.987 2320 G HN 0.301 nan 8.290 nan 0.000 0.589 2321 T N 0.296 114.724 114.554 -0.211 0.000 2.926 2321 T HA 0.435 4.785 4.350 0.000 0.000 0.307 2321 T C 0.368 175.056 174.700 -0.019 0.000 1.059 2321 T CA 0.258 62.376 62.100 0.031 0.000 1.122 2321 T CB 1.062 70.001 68.868 0.119 0.000 0.972 2321 T HN 1.034 nan 8.240 nan 0.000 0.545 2322 V N -0.001 119.914 119.914 0.001 0.000 3.141 2322 V HA 0.620 4.740 4.120 0.000 0.000 0.312 2322 V C -0.773 175.290 176.094 -0.053 0.000 1.157 2322 V CA -1.321 60.947 62.300 -0.053 0.000 1.041 2322 V CB 1.822 33.592 31.823 -0.087 0.000 1.071 2322 V HN 0.598 nan 8.190 nan 0.000 0.441 2323 I N 3.655 124.186 120.570 -0.064 0.000 2.241 2323 I HA 0.259 4.429 4.170 0.000 0.000 0.294 2323 I C 1.137 177.214 176.117 -0.068 0.000 1.145 2323 I CA 0.019 61.284 61.300 -0.059 0.000 1.261 2323 I CB -0.380 37.588 38.000 -0.054 0.000 1.475 2323 I HN 0.973 nan 8.210 nan 0.000 0.533 2324 D N 4.027 124.381 120.400 -0.076 0.000 2.194 2324 D HA -0.075 4.565 4.640 0.000 0.000 0.204 2324 D C 1.369 177.629 176.300 -0.065 0.000 0.964 2324 D CA 1.227 55.169 54.000 -0.096 0.000 0.846 2324 D CB 0.395 41.111 40.800 -0.142 0.000 0.962 2324 D HN 0.653 nan 8.370 nan 0.000 0.490 2325 G N -0.098 108.674 108.800 -0.046 0.000 2.159 2325 G HA2 -0.222 3.738 3.960 0.000 0.000 0.227 2325 G HA3 -0.222 3.738 3.960 0.000 0.000 0.227 2325 G C 0.861 175.752 174.900 -0.016 0.000 0.986 2325 G CA 0.529 45.611 45.100 -0.029 0.000 0.651 2325 G HN 0.287 nan 8.290 nan 0.000 0.523 2326 M N -1.614 117.977 119.600 -0.015 0.000 2.504 2326 M HA 0.425 4.905 4.480 0.000 0.000 0.222 2326 M C 2.043 178.350 176.300 0.011 0.000 1.566 2326 M CA 0.923 56.227 55.300 0.007 0.000 1.099 2326 M CB -0.656 31.955 32.600 0.020 0.000 1.428 2326 M HN 0.240 nan 8.290 nan 0.000 0.556 2327 L N 0.487 121.710 121.223 0.001 0.000 2.200 2327 L HA 0.311 4.651 4.340 0.000 0.000 0.200 2327 L C 0.102 176.961 176.870 -0.017 0.000 1.072 2327 L CA 1.169 56.012 54.840 0.004 0.000 0.787 2327 L CB 0.450 42.514 42.059 0.009 0.000 0.957 2327 L HN 0.073 nan 8.230 nan 0.000 0.459 2328 L N 0.232 121.437 121.223 -0.030 0.000 2.376 2328 L HA 0.283 4.623 4.340 0.000 0.000 0.275 2328 L C 0.117 176.966 176.870 -0.034 0.000 0.987 2328 L CA -0.354 54.462 54.840 -0.040 0.000 0.828 2328 L CB 2.038 44.064 42.059 -0.056 0.000 1.249 2328 L HN 0.085 nan 8.230 nan 0.000 0.409 2329 L N 1.961 123.168 121.223 -0.027 0.000 2.477 2329 L HA 0.238 4.578 4.340 0.000 0.000 0.220 2329 L C 0.592 177.447 176.870 -0.025 0.000 1.106 2329 L CA 0.706 55.532 54.840 -0.023 0.000 0.851 2329 L CB 0.038 42.088 42.059 -0.016 0.000 0.994 2329 L HN 0.576 nan 8.230 nan 0.000 0.462 2330 K N -0.995 119.388 120.400 -0.028 0.000 2.430 2330 K HA 0.375 4.695 4.320 0.000 0.000 0.268 2330 K C -0.444 176.134 176.600 -0.038 0.000 1.043 2330 K CA -0.697 55.574 56.287 -0.028 0.000 0.899 2330 K CB 1.618 34.107 32.500 -0.018 0.000 1.472 2330 K HN -0.167 nan 8.250 nan 0.000 0.451 2331 T N -1.392 113.139 114.554 -0.039 0.000 2.898 2331 T HA 0.118 4.468 4.350 0.000 0.000 0.301 2331 T C -2.062 172.607 174.700 -0.051 0.000 1.049 2331 T CA -1.235 60.834 62.100 -0.051 0.000 1.095 2331 T CB 0.773 69.610 68.868 -0.052 0.000 0.976 2331 T HN 0.158 nan 8.240 nan 0.000 0.539 2332 P HA -0.113 nan 4.420 nan 0.000 0.217 2332 P C 1.243 178.510 177.300 -0.056 0.000 1.148 2332 P CA 1.078 64.133 63.100 -0.076 0.000 0.828 2332 P CB 0.089 31.730 31.700 -0.099 0.000 0.783 2333 E N -0.059 120.112 120.200 -0.049 0.000 2.017 2333 E HA -0.194 4.156 4.350 0.000 0.000 0.193 2333 E C 1.942 178.540 176.600 -0.003 0.000 0.997 2333 E CA 1.330 57.713 56.400 -0.028 0.000 0.804 2333 E CB -0.925 28.755 29.700 -0.034 0.000 0.757 2333 E HN 0.396 nan 8.360 nan 0.000 0.448 2334 E N 0.273 120.469 120.200 -0.007 0.000 2.209 2334 E HA -0.173 4.177 4.350 0.000 0.000 0.196 2334 E C 1.950 178.566 176.600 0.028 0.000 0.993 2334 E CA 0.732 57.137 56.400 0.007 0.000 0.819 2334 E CB -0.164 29.534 29.700 -0.004 0.000 0.745 2334 E HN 0.241 nan 8.360 nan 0.000 0.477 2335 L N 0.583 121.821 121.223 0.026 0.000 2.313 2335 L HA -0.138 4.202 4.340 0.000 0.000 0.214 2335 L C 2.292 179.261 176.870 0.166 0.000 1.119 2335 L CA 0.744 55.623 54.840 0.065 0.000 0.809 2335 L CB -0.172 41.901 42.059 0.024 0.000 0.933 2335 L HN 0.157 nan 8.230 nan 0.000 0.449 2336 Q N -0.190 119.685 119.800 0.126 0.000 2.089 2336 Q HA -0.065 4.275 4.340 0.000 0.000 0.195 2336 Q C 2.539 178.686 176.000 0.245 0.000 0.963 2336 Q CA 1.184 57.124 55.803 0.228 0.000 0.834 2336 Q CB -0.169 28.627 28.738 0.095 0.000 0.906 2336 Q HN 0.497 nan 8.270 nan 0.000 0.452 2337 A N 2.139 125.035 122.820 0.126 0.000 1.873 2337 A HA -0.269 4.052 4.320 0.000 0.000 0.218 2337 A C 1.741 179.365 177.584 0.068 0.000 1.193 2337 A CA 1.816 53.904 52.037 0.085 0.000 0.629 2337 A CB -0.699 18.331 19.000 0.050 0.000 0.826 2337 A HN 0.389 nan 8.150 nan 0.000 0.447 2338 E N -0.549 119.687 120.200 0.060 0.000 2.501 2338 E HA -0.113 4.237 4.350 0.000 0.000 0.203 2338 E C 0.021 176.607 176.600 -0.024 0.000 1.072 2338 E CA 0.275 56.687 56.400 0.020 0.000 0.885 2338 E CB -0.318 29.393 29.700 0.018 0.000 0.813 2338 E HN 0.472 nan 8.360 nan 0.000 0.556 2339 R N 1.004 121.500 120.500 -0.007 0.000 3.358 2339 R HA -0.213 4.127 4.340 0.000 0.000 0.248 2339 R C -0.410 175.660 176.300 -0.383 0.000 0.981 2339 R CA 0.643 56.616 56.100 -0.212 0.000 0.662 2339 R CB -1.925 28.279 30.300 -0.161 0.000 1.037 2339 R HN 0.187 nan 8.270 nan 0.000 0.460 2340 N N 0.862 119.421 118.700 -0.234 0.000 2.696 2340 N HA 0.431 5.171 4.740 0.000 0.000 0.246 2340 N C -0.788 174.700 175.510 -0.038 0.000 1.057 2340 N CA -0.650 52.297 53.050 -0.170 0.000 0.867 2340 N CB 0.612 39.070 38.487 -0.048 0.000 1.141 2340 N HN 0.206 nan 8.380 nan 0.000 0.517 2341 F N -1.407 118.481 119.950 -0.103 0.000 3.410 2341 F HA 0.358 4.885 4.527 0.000 0.000 0.328 2341 F C -1.188 174.512 175.800 -0.168 0.000 1.099 2341 F CA -1.251 56.626 58.000 -0.206 0.000 0.841 2341 F CB 0.492 39.413 39.000 -0.133 0.000 1.527 2341 F HN 0.025 nan 8.300 nan 0.000 0.478 2342 H N 1.088 120.427 119.070 0.448 0.000 3.086 2342 H HA 0.250 4.806 4.556 0.000 0.000 0.265 2342 H C 0.140 175.680 175.328 0.352 0.000 1.092 2342 H CA 0.488 56.677 56.048 0.236 0.000 1.487 2342 H CB -0.046 29.782 29.762 0.109 0.000 1.514 2342 H HN 0.643 nan 8.280 nan 0.000 0.497 2343 T N 1.080 115.774 114.554 0.234 0.000 4.313 2343 T HA 0.346 4.696 4.350 0.000 0.000 0.272 2343 T C 0.724 175.533 174.700 0.181 0.000 1.298 2343 T CA -0.733 61.457 62.100 0.150 0.000 1.124 2343 T CB -1.324 67.526 68.868 -0.029 0.000 1.352 2343 T HN 0.350 nan 8.240 nan 0.000 1.013 2344 V N -1.753 118.354 119.914 0.322 0.000 2.960 2344 V HA 0.752 4.872 4.120 0.000 0.000 0.315 2344 V C -3.127 173.207 176.094 0.399 0.000 1.087 2344 V CA -3.658 58.787 62.300 0.243 0.000 0.982 2344 V CB 1.770 33.672 31.823 0.132 0.000 1.039 2344 V HN 0.081 nan 8.190 nan 0.000 0.437 2345 P HA 0.126 nan 4.420 nan 0.000 0.260 2345 P C -1.433 176.255 177.300 0.647 0.000 1.185 2345 P CA 0.778 64.120 63.100 0.403 0.000 0.763 2345 P CB -0.305 31.400 31.700 0.010 0.000 0.776 2346 Y N 3.983 124.555 120.300 0.454 0.000 2.376 2346 Y HA 0.543 5.093 4.550 0.000 0.000 0.340 2346 Y C -0.471 175.443 175.900 0.023 0.000 0.965 2346 Y CA -1.536 56.621 58.100 0.096 0.000 1.078 2346 Y CB 1.493 39.572 38.460 -0.635 0.000 1.193 2346 Y HN 0.195 nan 8.280 nan 0.000 0.452 2347 M N 7.986 127.509 119.600 -0.128 0.000 2.125 2347 M HA 0.501 4.981 4.480 0.000 0.000 0.321 2347 M C -2.225 173.777 176.300 -0.496 0.000 0.983 2347 M CA -0.713 54.306 55.300 -0.469 0.000 0.934 2347 M CB 0.828 32.845 32.600 -0.972 0.000 1.542 2347 M HN 0.423 nan 8.290 nan 0.000 0.424 2348 V N 4.671 124.270 119.914 -0.524 0.000 2.409 2348 V HA 0.872 4.992 4.120 0.000 0.000 0.291 2348 V C 0.317 176.117 176.094 -0.490 0.000 1.020 2348 V CA -0.547 61.435 62.300 -0.531 0.000 0.848 2348 V CB 1.278 32.713 31.823 -0.647 0.000 0.990 2348 V HN 0.984 nan 8.190 nan 0.000 0.430 2349 G N 4.063 112.463 108.800 -0.668 0.000 2.642 2349 G HA2 0.898 4.858 3.960 0.000 0.000 0.293 2349 G HA3 0.898 4.858 3.960 0.000 0.000 0.293 2349 G C -1.157 173.290 174.900 -0.756 0.000 1.341 2349 G CA -0.698 43.596 45.100 -1.343 0.000 0.916 2349 G HN 0.879 nan 8.290 nan 0.000 0.474 2350 I N -2.552 117.708 120.570 -0.516 0.000 3.264 2350 I HA 0.620 4.790 4.170 0.000 0.000 0.315 2350 I C -0.958 175.221 176.117 0.103 0.000 1.154 2350 I CA -1.438 59.793 61.300 -0.115 0.000 0.962 2350 I CB 2.414 40.384 38.000 -0.049 0.000 1.265 2350 I HN 0.438 nan 8.210 nan 0.000 0.463 2351 N N 0.971 119.761 118.700 0.150 0.000 2.404 2351 N HA 0.269 5.009 4.740 0.000 0.000 0.297 2351 N C 0.022 175.648 175.510 0.193 0.000 1.163 2351 N CA -0.842 52.370 53.050 0.269 0.000 0.864 2351 N CB 2.081 40.741 38.487 0.288 0.000 1.247 2351 N HN 0.513 nan 8.380 nan 0.000 0.510 2352 K N 0.714 121.235 120.400 0.203 0.000 2.059 2352 K HA -0.177 4.143 4.320 0.000 0.000 0.212 2352 K C -0.078 176.608 176.600 0.143 0.000 1.050 2352 K CA 1.898 58.273 56.287 0.148 0.000 0.927 2352 K CB 0.086 32.656 32.500 0.117 0.000 0.714 2352 K HN 0.552 nan 8.250 nan 0.000 0.447 2353 Q N 0.111 120.006 119.800 0.158 0.000 2.798 2353 Q HA 0.124 4.464 4.340 0.000 0.000 0.250 2353 Q C -0.245 175.856 176.000 0.170 0.000 1.006 2353 Q CA -0.347 55.553 55.803 0.162 0.000 0.759 2353 Q CB 1.603 30.436 28.738 0.158 0.000 1.201 2353 Q HN 0.115 nan 8.270 nan 0.000 0.486 2354 E N 0.573 120.858 120.200 0.142 0.000 2.153 2354 E HA -0.138 4.212 4.350 0.000 0.000 0.194 2354 E C 0.458 177.141 176.600 0.138 0.000 0.988 2354 E CA 1.182 57.614 56.400 0.054 0.000 0.811 2354 E CB 0.195 29.817 29.700 -0.129 0.000 0.746 2354 E HN 0.498 nan 8.360 nan 0.000 0.466 2355 F N 0.524 120.484 119.950 0.016 0.000 2.668 2355 F HA 0.240 4.767 4.527 0.000 0.000 0.297 2355 F C 1.722 177.542 175.800 0.034 0.000 1.124 2355 F CA -0.303 57.685 58.000 -0.019 0.000 1.353 2355 F CB 0.376 39.331 39.000 -0.076 0.000 0.992 2355 F HN -0.051 nan 8.300 nan 0.000 0.524 2356 G N 0.906 109.796 108.800 0.150 0.000 2.587 2356 G HA2 -0.338 3.622 3.960 0.000 0.000 0.217 2356 G HA3 -0.338 3.622 3.960 0.000 0.000 0.217 2356 G C 1.045 176.057 174.900 0.188 0.000 1.240 2356 G CA 1.706 46.910 45.100 0.174 0.000 0.794 2356 G HN 0.599 nan 8.290 nan 0.000 0.580 2357 W N -0.785 120.493 121.300 -0.037 0.000 5.029 2357 W HA 0.381 5.041 4.660 0.000 0.000 0.184 2357 W C 2.065 178.528 176.519 -0.092 0.000 1.092 2357 W CA 0.236 57.550 57.345 -0.052 0.000 2.098 2357 W CB -0.647 28.819 29.460 0.011 0.000 0.777 2357 W HN 0.131 nan 8.180 nan 0.000 1.010 2358 L N 1.740 122.903 121.223 -0.100 0.000 2.017 2358 L HA -0.347 3.993 4.340 0.000 0.000 0.234 2358 L C 2.291 178.897 176.870 -0.439 0.000 1.097 2358 L CA 3.434 58.064 54.840 -0.350 0.000 0.816 2358 L CB -0.960 41.186 42.059 0.145 0.000 0.914 2358 L HN 0.215 nan 8.230 nan 0.000 0.444 2359 I N -0.269 120.090 120.570 -0.352 0.000 2.113 2359 I HA -0.209 3.961 4.170 0.000 0.000 0.238 2359 I C -0.428 175.348 176.117 -0.568 0.000 1.070 2359 I CA 1.611 62.662 61.300 -0.415 0.000 1.332 2359 I CB -1.996 35.756 38.000 -0.414 0.000 1.044 2359 I HN 0.354 nan 8.210 nan 0.000 0.402 2360 P HA -0.179 nan 4.420 nan 0.000 0.218 2360 P C 1.155 178.283 177.300 -0.287 0.000 1.148 2360 P CA 1.360 64.042 63.100 -0.697 0.000 0.822 2360 P CB -0.095 31.083 31.700 -0.870 0.000 0.784 2364 M N 0.007 119.599 119.600 -0.013 0.000 2.494 2364 M HA 0.200 4.680 4.480 0.000 0.000 0.232 2364 M C 0.462 176.833 176.300 0.119 0.000 1.137 2364 M CA 0.182 55.545 55.300 0.105 0.000 1.012 2364 M CB 0.430 33.179 32.600 0.248 0.000 1.567 2364 M HN 0.207 nan 8.290 nan 0.000 0.486 2365 S N 0.372 116.112 115.700 0.067 0.000 3.706 2365 S HA -0.181 4.289 4.470 0.000 0.000 0.363 2365 S C -0.420 174.228 174.600 0.080 0.000 0.999 2365 S CA 0.322 58.553 58.200 0.052 0.000 1.143 2365 S CB -1.955 61.254 63.200 0.015 0.000 0.902 2365 S HN 0.460 nan 8.310 nan 0.000 0.476 2366 Y N 2.113 122.417 120.300 0.006 0.000 2.465 2366 Y HA 0.253 4.804 4.550 0.000 0.000 0.331 2366 Y C -1.301 174.633 175.900 0.056 0.000 1.102 2366 Y CA -1.343 56.795 58.100 0.063 0.000 1.358 2366 Y CB 0.488 39.010 38.460 0.103 0.000 1.213 2366 Y HN 0.137 nan 8.280 nan 0.000 0.525 2367 P HA 0.067 nan 4.420 nan 0.000 0.241 2367 P C -0.670 176.689 177.300 0.099 0.000 1.760 2367 P CA 0.220 63.355 63.100 0.058 0.000 1.081 2367 P CB 0.039 31.737 31.700 -0.003 0.000 1.975 2368 L N 1.337 122.640 121.223 0.134 0.000 3.289 2368 L HA 0.158 4.498 4.340 0.000 0.000 0.291 2368 L C 2.193 179.125 176.870 0.103 0.000 1.279 2368 L CA 0.385 55.303 54.840 0.129 0.000 1.025 2368 L CB -0.316 41.856 42.059 0.188 0.000 1.413 2368 L HN 0.129 nan 8.230 nan 0.000 0.593 2369 S N 0.218 115.968 115.700 0.083 0.000 2.392 2369 S HA -0.240 4.230 4.470 0.000 0.000 0.232 2369 S C 1.843 176.479 174.600 0.061 0.000 1.041 2369 S CA 1.876 60.118 58.200 0.070 0.000 1.026 2369 S CB 0.058 63.291 63.200 0.054 0.000 0.845 2369 S HN 0.529 nan 8.310 nan 0.000 0.465 2370 E N 0.164 120.395 120.200 0.052 0.000 2.153 2370 E HA -0.046 4.304 4.350 0.000 0.000 0.194 2370 E C 1.718 178.348 176.600 0.050 0.000 0.988 2370 E CA 0.854 57.279 56.400 0.043 0.000 0.811 2370 E CB -0.700 29.020 29.700 0.033 0.000 0.746 2370 E HN 0.789 nan 8.360 nan 0.000 0.466 2371 G N 1.272 110.111 108.800 0.065 0.000 2.148 2371 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 2371 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 2371 G C 0.239 175.179 174.900 0.067 0.000 0.981 2371 G CA 0.880 46.025 45.100 0.074 0.000 0.670 2371 G HN 0.340 nan 8.290 nan 0.000 0.528 2372 Q N -1.943 117.890 119.800 0.055 0.000 2.991 2372 Q HA 0.914 5.255 4.340 0.000 0.000 0.322 2372 Q C -1.197 174.822 176.000 0.031 0.000 0.978 2372 Q CA -1.164 54.667 55.803 0.046 0.000 0.787 2372 Q CB 2.188 30.947 28.738 0.034 0.000 1.492 2372 Q HN 0.564 nan 8.270 nan 0.000 0.498 2373 L N 1.782 123.017 121.223 0.019 0.000 3.481 2373 L HA 0.165 4.505 4.340 0.000 0.000 0.267 2373 L C -1.884 174.983 176.870 -0.005 0.000 0.972 2373 L CA -0.207 54.623 54.840 -0.015 0.000 1.150 2373 L CB 1.543 43.570 42.059 -0.052 0.000 1.902 2373 L HN 0.803 nan 8.230 nan 0.000 0.561 2374 D N 2.500 122.893 120.400 -0.012 0.000 2.466 2374 D HA 0.182 4.822 4.640 0.000 0.000 0.262 2374 D C 0.453 176.755 176.300 0.003 0.000 1.177 2374 D CA -0.346 53.656 54.000 0.004 0.000 1.035 2374 D CB 1.162 41.965 40.800 0.006 0.000 1.105 2374 D HN 0.590 nan 8.370 nan 0.000 0.551 2375 Q N 0.367 120.180 119.800 0.021 0.000 2.002 2375 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 2375 Q C 2.029 178.047 176.000 0.029 0.000 0.988 2375 Q CA 2.130 57.955 55.803 0.036 0.000 0.843 2375 Q CB -0.069 28.693 28.738 0.039 0.000 0.908 2375 Q HN 0.491 nan 8.270 nan 0.000 0.420 2376 K N -0.923 119.489 120.400 0.020 0.000 2.020 2376 K HA -0.149 4.171 4.320 0.000 0.000 0.212 2376 K C 2.204 178.811 176.600 0.012 0.000 1.050 2376 K CA 1.859 58.158 56.287 0.020 0.000 0.929 2376 K CB -0.437 32.071 32.500 0.014 0.000 0.714 2376 K HN 0.275 nan 8.250 nan 0.000 0.443 2377 T N 1.047 115.594 114.554 -0.012 0.000 2.803 2377 T HA -0.162 4.188 4.350 0.000 0.000 0.269 2377 T C 1.898 176.542 174.700 -0.093 0.000 1.052 2377 T CA 1.294 63.371 62.100 -0.039 0.000 1.136 2377 T CB -0.237 68.599 68.868 -0.053 0.000 0.864 2377 T HN 0.361 nan 8.240 nan 0.000 0.467 2378 A N 1.502 124.256 122.820 -0.110 0.000 1.873 2378 A HA -0.032 4.288 4.320 0.000 0.000 0.215 2378 A C 2.329 179.945 177.584 0.054 0.000 1.186 2378 A CA 1.454 53.374 52.037 -0.194 0.000 0.616 2378 A CB -0.622 18.352 19.000 -0.044 0.000 0.823 2378 A HN 0.463 nan 8.150 nan 0.000 0.442 2379 M N -0.887 118.780 119.600 0.112 0.000 2.117 2379 M HA -0.124 4.356 4.480 0.000 0.000 0.262 2379 M C 2.532 178.954 176.300 0.204 0.000 1.065 2379 M CA 1.731 57.138 55.300 0.178 0.000 1.114 2379 M CB -0.415 32.256 32.600 0.119 0.000 1.361 2379 M HN 0.491 nan 8.290 nan 0.000 0.408 2380 S N 0.808 116.590 115.700 0.137 0.000 2.368 2380 S HA -0.091 4.379 4.470 0.000 0.000 0.225 2380 S C 1.843 176.567 174.600 0.206 0.000 1.030 2380 S CA 1.076 59.375 58.200 0.165 0.000 0.999 2380 S CB -0.198 63.056 63.200 0.090 0.000 0.844 2380 S HN 0.421 nan 8.310 nan 0.000 0.459 2381 L N 0.562 121.864 121.223 0.132 0.000 2.093 2381 L HA -0.025 4.315 4.340 0.000 0.000 0.208 2381 L C 2.367 179.456 176.870 0.364 0.000 1.085 2381 L CA 0.840 55.776 54.840 0.160 0.000 0.755 2381 L CB -0.319 41.738 42.059 -0.004 0.000 0.904 2381 L HN 0.370 nan 8.230 nan 0.000 0.435 2382 L N -0.693 120.814 121.223 0.473 0.000 2.083 2382 L HA -0.272 4.068 4.340 0.000 0.000 0.209 2382 L C 2.126 179.236 176.870 0.400 0.000 1.083 2382 L CA 1.783 56.916 54.840 0.489 0.000 0.752 2382 L CB -0.710 41.637 42.059 0.479 0.000 0.899 2382 L HN 0.377 nan 8.230 nan 0.000 0.433 2383 W N 0.394 121.813 121.300 0.199 0.000 2.378 2383 W HA -0.222 4.438 4.660 0.000 0.000 0.313 2383 W C 2.051 178.676 176.519 0.177 0.000 1.197 2383 W CA 0.940 58.394 57.345 0.181 0.000 1.304 2383 W CB 0.034 29.564 29.460 0.118 0.000 1.148 2383 W HN 0.036 nan 8.180 nan 0.000 0.494 2384 K N 0.686 121.106 120.400 0.033 0.000 2.211 2384 K HA -0.117 4.203 4.320 0.000 0.000 0.204 2384 K C 1.726 178.278 176.600 -0.081 0.000 1.047 2384 K CA 1.408 57.624 56.287 -0.118 0.000 0.935 2384 K CB -0.889 31.590 32.500 -0.034 0.000 0.728 2384 K HN 0.068 nan 8.250 nan 0.000 0.452 2385 S N 0.764 116.490 115.700 0.044 0.000 2.660 2385 S HA -0.036 4.434 4.470 0.000 0.000 0.223 2385 S C 1.275 175.859 174.600 -0.026 0.000 0.963 2385 S CA -0.216 58.031 58.200 0.077 0.000 0.932 2385 S CB -0.359 62.947 63.200 0.178 0.000 0.775 2385 S HN 0.292 nan 8.310 nan 0.000 0.531 2386 Y N 3.956 124.126 120.300 -0.218 0.000 2.062 2386 Y HA -0.202 4.349 4.550 0.000 0.000 0.276 2386 Y C -0.761 175.023 175.900 -0.193 0.000 1.189 2386 Y CA 2.055 59.992 58.100 -0.270 0.000 1.130 2386 Y CB -1.239 36.860 38.460 -0.601 0.000 0.959 2386 Y HN 0.250 nan 8.280 nan 0.000 0.499 2387 P HA -0.190 nan 4.420 nan 0.000 0.223 2387 P C 1.359 178.561 177.300 -0.164 0.000 1.144 2387 P CA 1.710 64.759 63.100 -0.084 0.000 0.783 2387 P CB -0.103 31.594 31.700 -0.004 0.000 0.771 2388 L N -0.955 120.165 121.223 -0.171 0.000 2.316 2388 L HA 0.022 4.362 4.340 0.000 0.000 0.207 2388 L C 2.334 179.016 176.870 -0.313 0.000 1.070 2388 L CA 0.767 55.490 54.840 -0.194 0.000 0.820 2388 L CB -0.100 41.890 42.059 -0.115 0.000 0.992 2388 L HN -0.127 nan 8.230 nan 0.000 0.466 2389 V N -6.777 112.927 119.914 -0.350 0.000 3.612 2389 V HA 0.153 4.273 4.120 0.000 0.000 0.268 2389 V C 1.098 176.941 176.094 -0.419 0.000 1.365 2389 V CA -0.460 61.613 62.300 -0.378 0.000 1.044 2389 V CB 0.009 31.628 31.823 -0.340 0.000 0.820 2389 V HN 0.401 nan 8.190 nan 0.000 0.444 2390 C N 1.470 120.358 119.300 -0.687 0.000 4.350 2390 C HA -0.167 4.293 4.460 0.000 0.000 0.302 2390 C C 0.591 175.360 174.990 -0.367 0.000 1.390 2390 C CA 0.172 58.593 59.018 -0.996 0.000 2.016 2390 C CB -2.886 24.451 27.740 -0.672 0.000 1.271 2390 C HN 0.677 nan 8.230 nan 0.000 0.760 2391 I N 1.472 122.023 120.570 -0.031 0.000 2.291 2391 I HA 0.401 4.571 4.170 0.000 0.000 0.292 2391 I C 1.117 177.599 176.117 0.608 0.000 1.064 2391 I CA 0.150 61.685 61.300 0.393 0.000 1.269 2391 I CB 0.758 38.989 38.000 0.385 0.000 1.418 2391 I HN 0.528 nan 8.210 nan 0.000 0.485 2392 A N 6.185 129.341 122.820 0.561 0.000 2.587 2392 A HA -0.071 4.249 4.320 0.000 0.000 0.235 2392 A C 1.608 179.415 177.584 0.371 0.000 1.044 2392 A CA 0.171 52.514 52.037 0.511 0.000 0.754 2392 A CB 0.110 19.299 19.000 0.315 0.000 0.968 2392 A HN 0.920 nan 8.150 nan 0.000 0.509 2393 K N 1.193 121.685 120.400 0.154 0.000 2.173 2393 K HA -0.241 4.079 4.320 0.000 0.000 0.207 2393 K C 1.681 178.216 176.600 -0.108 0.000 1.046 2393 K CA 2.216 58.323 56.287 -0.301 0.000 0.929 2393 K CB -0.099 31.818 32.500 -0.971 0.000 0.720 2393 K HN 0.928 nan 8.250 nan 0.000 0.453 2394 E N -0.018 120.165 120.200 -0.028 0.000 2.347 2394 E HA -0.147 4.203 4.350 0.000 0.000 0.196 2394 E C 1.453 178.080 176.600 0.045 0.000 1.008 2394 E CA 0.717 57.116 56.400 -0.003 0.000 0.852 2394 E CB -0.018 29.687 29.700 0.009 0.000 0.783 2394 E HN 0.362 nan 8.360 nan 0.000 0.505 2395 L N 0.338 121.623 121.223 0.103 0.000 2.638 2395 L HA 0.123 4.463 4.340 0.000 0.000 0.232 2395 L C 2.003 178.960 176.870 0.146 0.000 1.099 2395 L CA -0.365 54.543 54.840 0.113 0.000 0.883 2395 L CB 0.002 42.148 42.059 0.146 0.000 1.136 2395 L HN 0.075 nan 8.230 nan 0.000 0.492 2396 I N 1.232 121.904 120.570 0.170 0.000 2.185 2396 I HA -0.200 3.970 4.170 0.000 0.000 0.246 2396 I C -0.046 176.169 176.117 0.164 0.000 1.088 2396 I CA 2.053 63.475 61.300 0.204 0.000 1.347 2396 I CB -2.025 36.093 38.000 0.196 0.000 1.041 2396 I HN 0.180 nan 8.210 nan 0.000 0.415 2397 P HA -0.140 nan 4.420 nan 0.000 0.214 2397 P C 1.581 178.942 177.300 0.102 0.000 1.162 2397 P CA 1.391 64.545 63.100 0.091 0.000 0.879 2397 P CB -0.033 31.699 31.700 0.054 0.000 0.786 2398 E N -0.236 120.022 120.200 0.096 0.000 2.097 2398 E HA -0.221 4.129 4.350 0.000 0.000 0.196 2398 E C 2.076 178.785 176.600 0.182 0.000 1.000 2398 E CA 1.435 57.904 56.400 0.116 0.000 0.804 2398 E CB -0.709 29.044 29.700 0.089 0.000 0.740 2398 E HN 0.147 nan 8.360 nan 0.000 0.454 2399 A N 0.984 123.924 122.820 0.201 0.000 1.851 2399 A HA -0.214 4.106 4.320 0.000 0.000 0.216 2399 A C 2.456 180.173 177.584 0.221 0.000 1.195 2399 A CA 2.193 54.373 52.037 0.238 0.000 0.622 2399 A CB -1.135 18.047 19.000 0.304 0.000 0.831 2399 A HN 0.224 nan 8.150 nan 0.000 0.444 2400 T N -0.441 114.239 114.554 0.210 0.000 2.759 2400 T HA -0.141 4.209 4.350 0.000 0.000 0.269 2400 T C 1.879 176.675 174.700 0.160 0.000 1.042 2400 T CA 1.760 63.987 62.100 0.211 0.000 1.140 2400 T CB -0.222 68.762 68.868 0.194 0.000 0.864 2400 T HN 0.628 nan 8.240 nan 0.000 0.455 2401 E N 1.634 121.899 120.200 0.107 0.000 2.047 2401 E HA -0.106 4.244 4.350 0.000 0.000 0.191 2401 E C 2.103 178.702 176.600 -0.001 0.000 0.987 2401 E CA 1.305 57.737 56.400 0.053 0.000 0.799 2401 E CB -0.277 29.446 29.700 0.038 0.000 0.752 2401 E HN 0.248 nan 8.360 nan 0.000 0.449 2402 K N -0.677 119.687 120.400 -0.059 0.000 2.103 2402 K HA -0.171 4.149 4.320 0.000 0.000 0.207 2402 K C 1.765 178.190 176.600 -0.290 0.000 1.048 2402 K CA 1.676 57.786 56.287 -0.294 0.000 0.930 2402 K CB -0.638 31.408 32.500 -0.757 0.000 0.716 2402 K HN 0.291 nan 8.250 nan 0.000 0.444 2403 Y N -0.561 119.632 120.300 -0.179 0.000 2.389 2403 Y HA 0.207 4.757 4.550 0.000 0.000 0.292 2403 Y C 1.718 177.615 175.900 -0.004 0.000 1.117 2403 Y CA 0.771 58.823 58.100 -0.079 0.000 1.195 2403 Y CB 0.414 38.878 38.460 0.007 0.000 1.076 2403 Y HN -0.079 nan 8.280 nan 0.000 0.548 2404 L N -2.287 119.038 121.223 0.169 0.000 2.575 2404 L HA 0.261 4.601 4.340 0.000 0.000 0.228 2404 L C 2.165 179.074 176.870 0.065 0.000 1.075 2404 L CA 0.662 55.578 54.840 0.128 0.000 0.867 2404 L CB -0.581 41.574 42.059 0.158 0.000 1.097 2404 L HN 0.145 nan 8.230 nan 0.000 0.485 2405 G N 0.346 109.170 108.800 0.039 0.000 2.740 2405 G HA2 -0.079 3.881 3.960 0.000 0.000 0.208 2405 G HA3 -0.079 3.881 3.960 0.000 0.000 0.208 2405 G C 1.316 176.217 174.900 0.001 0.000 1.148 2405 G CA 0.696 45.807 45.100 0.018 0.000 0.795 2405 G HN 0.470 nan 8.290 nan 0.000 0.526 2406 G N -1.358 107.441 108.800 -0.002 0.000 2.662 2406 G HA2 0.272 4.232 3.960 0.000 0.000 0.212 2406 G HA3 0.272 4.232 3.960 0.000 0.000 0.212 2406 G C 0.565 175.466 174.900 0.002 0.000 1.141 2406 G CA 0.892 45.984 45.100 -0.012 0.000 0.797 2406 G HN 0.454 nan 8.290 nan 0.000 0.531 2407 T N -0.518 114.046 114.554 0.018 0.000 2.906 2407 T HA 0.407 4.757 4.350 0.000 0.000 0.295 2407 T C -0.565 174.151 174.700 0.027 0.000 1.061 2407 T CA -0.658 61.456 62.100 0.022 0.000 1.000 2407 T CB 1.863 70.749 68.868 0.030 0.000 1.103 2407 T HN -0.033 nan 8.240 nan 0.000 0.486 2408 D N 1.579 121.993 120.400 0.023 0.000 2.349 2408 D HA 0.057 4.697 4.640 0.000 0.000 0.214 2408 D C -0.182 176.133 176.300 0.026 0.000 1.063 2408 D CA -0.088 53.925 54.000 0.022 0.000 0.847 2408 D CB 0.444 41.254 40.800 0.017 0.000 0.933 2408 D HN 0.486 nan 8.370 nan 0.000 0.513 2409 D N 2.003 122.421 120.400 0.030 0.000 2.352 2409 D HA -0.016 4.624 4.640 0.000 0.000 0.245 2409 D C 1.598 177.922 176.300 0.041 0.000 1.224 2409 D CA 0.047 54.066 54.000 0.033 0.000 0.879 2409 D CB 1.160 41.980 40.800 0.033 0.000 1.057 2409 D HN 0.005 nan 8.370 nan 0.000 0.491 2410 T N 0.344 114.920 114.554 0.037 0.000 2.849 2410 T HA -0.150 4.200 4.350 0.000 0.000 0.270 2410 T C 1.883 176.614 174.700 0.052 0.000 1.066 2410 T CA 0.889 63.013 62.100 0.040 0.000 1.130 2410 T CB -0.134 68.752 68.868 0.030 0.000 0.864 2410 T HN 0.214 nan 8.240 nan 0.000 0.481 2411 V N 1.304 121.250 119.914 0.052 0.000 2.488 2411 V HA -0.026 4.094 4.120 0.000 0.000 0.246 2411 V C 2.744 178.886 176.094 0.080 0.000 1.046 2411 V CA 1.416 63.754 62.300 0.063 0.000 1.053 2411 V CB -0.460 31.394 31.823 0.052 0.000 0.679 2411 V HN 0.487 nan 8.190 nan 0.000 0.458 2412 K N 0.136 120.580 120.400 0.073 0.000 2.103 2412 K HA -0.108 4.212 4.320 0.000 0.000 0.204 2412 K C 2.234 178.902 176.600 0.113 0.000 1.052 2412 K CA 1.019 57.356 56.287 0.085 0.000 0.945 2412 K CB -0.149 32.390 32.500 0.065 0.000 0.722 2412 K HN 0.383 nan 8.250 nan 0.000 0.443 2413 K N 1.077 121.540 120.400 0.105 0.000 2.057 2413 K HA -0.144 4.176 4.320 0.000 0.000 0.207 2413 K C 2.177 178.887 176.600 0.184 0.000 1.049 2413 K CA 1.001 57.368 56.287 0.133 0.000 0.931 2413 K CB 0.010 32.567 32.500 0.095 0.000 0.714 2413 K HN -0.029 nan 8.250 nan 0.000 0.440 2414 K N 1.416 121.907 120.400 0.151 0.000 2.097 2414 K HA -0.179 4.141 4.320 0.000 0.000 0.206 2414 K C 1.230 177.988 176.600 0.264 0.000 1.049 2414 K CA 1.642 58.042 56.287 0.189 0.000 0.933 2414 K CB -0.029 32.549 32.500 0.129 0.000 0.717 2414 K HN 0.113 nan 8.250 nan 0.000 0.442 2415 D N 0.795 121.317 120.400 0.204 0.000 2.149 2415 D HA -0.075 4.565 4.640 0.000 0.000 0.201 2415 D C 2.035 178.467 176.300 0.221 0.000 0.972 2415 D CA 0.617 54.737 54.000 0.199 0.000 0.835 2415 D CB 0.041 40.929 40.800 0.146 0.000 0.966 2415 D HN 0.211 nan 8.370 nan 0.000 0.476 2416 L N 0.004 121.363 121.223 0.227 0.000 2.275 2416 L HA -0.110 4.230 4.340 0.000 0.000 0.215 2416 L C 2.225 179.273 176.870 0.297 0.000 1.119 2416 L CA 0.354 55.350 54.840 0.261 0.000 0.790 2416 L CB -0.248 41.954 42.059 0.238 0.000 0.919 2416 L HN -0.033 nan 8.230 nan 0.000 0.443 2417 F N 0.551 120.586 119.950 0.141 0.000 2.206 2417 F HA -0.114 4.413 4.527 0.000 0.000 0.298 2417 F C 2.046 177.881 175.800 0.059 0.000 1.090 2417 F CA 1.265 59.321 58.000 0.094 0.000 1.323 2417 F CB -0.016 39.055 39.000 0.117 0.000 1.028 2417 F HN -0.121 nan 8.300 nan 0.000 0.492 2418 L N -0.301 121.009 121.223 0.144 0.000 2.291 2418 L HA -0.125 4.215 4.340 0.000 0.000 0.214 2418 L C 1.749 178.637 176.870 0.030 0.000 1.120 2418 L CA 0.911 55.816 54.840 0.108 0.000 0.799 2418 L CB -0.728 41.503 42.059 0.286 0.000 0.925 2418 L HN 0.038 nan 8.230 nan 0.000 0.446 2419 D N 0.220 120.669 120.400 0.081 0.000 2.103 2419 D HA -0.153 4.487 4.640 0.000 0.000 0.199 2419 D C 1.983 178.300 176.300 0.028 0.000 0.978 2419 D CA 0.875 54.959 54.000 0.139 0.000 0.829 2419 D CB -0.096 40.867 40.800 0.271 0.000 0.981 2419 D HN 0.106 nan 8.370 nan 0.000 0.464 2420 L N 0.733 121.815 121.223 -0.236 0.000 2.012 2420 L HA -0.133 4.207 4.340 0.000 0.000 0.210 2420 L C 1.767 178.313 176.870 -0.540 0.000 1.073 2420 L CA 1.660 56.052 54.840 -0.747 0.000 0.748 2420 L CB -0.854 40.593 42.059 -1.020 0.000 0.891 2420 L HN -0.013 nan 8.230 nan 0.000 0.431 2421 I N 0.641 120.830 120.570 -0.636 0.000 2.226 2421 I HA -0.236 3.934 4.170 0.000 0.000 0.245 2421 I C 2.768 178.579 176.117 -0.510 0.000 1.100 2421 I CA 1.444 62.290 61.300 -0.756 0.000 1.374 2421 I CB -2.011 35.203 38.000 -1.310 0.000 1.057 2421 I HN 0.417 nan 8.210 nan 0.000 0.413 2422 A N 0.822 123.490 122.820 -0.252 0.000 1.883 2422 A HA -0.223 4.097 4.320 0.000 0.000 0.217 2422 A C 1.997 179.604 177.584 0.038 0.000 1.186 2422 A CA 2.032 54.101 52.037 0.054 0.000 0.624 2422 A CB -0.646 18.444 19.000 0.151 0.000 0.822 2422 A HN 0.364 nan 8.150 nan 0.000 0.444 2423 D N -0.373 120.011 120.400 -0.027 0.000 2.144 2423 D HA -0.092 4.548 4.640 0.000 0.000 0.199 2423 D C 2.008 178.159 176.300 -0.248 0.000 0.984 2423 D CA 1.376 55.370 54.000 -0.009 0.000 0.834 2423 D CB -0.397 40.532 40.800 0.214 0.000 0.955 2423 D HN 0.229 nan 8.370 nan 0.000 0.465 2424 V N 0.675 120.287 119.914 -0.503 0.000 2.548 2424 V HA -0.162 3.958 4.120 0.000 0.000 0.249 2424 V C 2.336 178.136 176.094 -0.489 0.000 1.055 2424 V CA 1.205 63.099 62.300 -0.676 0.000 1.065 2424 V CB -0.258 31.062 31.823 -0.838 0.000 0.681 2424 V HN 0.199 nan 8.190 nan 0.000 0.462 2425 M N -2.015 117.288 119.600 -0.495 0.000 2.357 2425 M HA 0.112 4.592 4.480 0.000 0.000 0.266 2425 M C 1.677 177.430 176.300 -0.911 0.000 1.095 2425 M CA 1.862 56.706 55.300 -0.759 0.000 1.156 2425 M CB 0.027 32.041 32.600 -0.976 0.000 1.365 2425 M HN 0.347 nan 8.290 nan 0.000 0.447 2426 F N -1.676 118.199 119.950 -0.125 0.000 2.421 2426 F HA 0.366 4.893 4.527 0.000 0.000 0.270 2426 F C 2.366 178.117 175.800 -0.080 0.000 0.894 2426 F CA 0.177 58.131 58.000 -0.077 0.000 1.128 2426 F CB -1.258 37.733 39.000 -0.015 0.000 1.011 2426 F HN 0.014 nan 8.300 nan 0.000 0.788 2427 G N 1.118 110.006 108.800 0.145 0.000 2.586 2427 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 2427 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 2427 G C 1.706 176.615 174.900 0.016 0.000 1.216 2427 G CA 1.946 47.084 45.100 0.063 0.000 0.786 2427 G HN 0.170 nan 8.290 nan 0.000 0.583 2428 V N 2.246 122.166 119.914 0.010 0.000 2.261 2428 V HA -0.114 4.006 4.120 0.000 0.000 0.246 2428 V C 0.503 176.585 176.094 -0.019 0.000 1.047 2428 V CA 2.405 64.719 62.300 0.023 0.000 1.015 2428 V CB -1.179 30.661 31.823 0.027 0.000 0.642 2428 V HN 0.288 nan 8.190 nan 0.000 0.446 2429 P HA -0.140 nan 4.420 nan 0.000 0.215 2429 P C 2.052 179.305 177.300 -0.079 0.000 1.157 2429 P CA 2.061 65.108 63.100 -0.090 0.000 0.874 2429 P CB -0.120 31.489 31.700 -0.152 0.000 0.790 2430 S N -0.712 114.942 115.700 -0.076 0.000 2.353 2430 S HA -0.143 4.327 4.470 0.000 0.000 0.222 2430 S C 2.040 176.542 174.600 -0.163 0.000 1.035 2430 S CA 1.493 59.619 58.200 -0.123 0.000 1.025 2430 S CB -1.394 61.732 63.200 -0.124 0.000 0.902 2430 S HN -0.056 nan 8.310 nan 0.000 0.440 2431 V N 2.061 121.901 119.914 -0.124 0.000 2.343 2431 V HA -0.175 3.945 4.120 0.000 0.000 0.247 2431 V C 2.069 178.138 176.094 -0.041 0.000 1.051 2431 V CA 1.553 63.785 62.300 -0.112 0.000 1.036 2431 V CB -0.666 31.140 31.823 -0.028 0.000 0.654 2431 V HN 0.448 nan 8.190 nan 0.000 0.451 2432 I N -0.591 119.975 120.570 -0.007 0.000 2.208 2432 I HA -0.227 3.943 4.170 0.000 0.000 0.245 2432 I C 2.372 178.497 176.117 0.014 0.000 1.097 2432 I CA 1.234 62.550 61.300 0.028 0.000 1.363 2432 I CB -0.406 37.610 38.000 0.027 0.000 1.051 2432 I HN 0.161 nan 8.210 nan 0.000 0.413 2433 V N 1.093 120.984 119.914 -0.038 0.000 2.255 2433 V HA -0.337 3.783 4.120 0.000 0.000 0.247 2433 V C 2.766 178.850 176.094 -0.018 0.000 1.051 2433 V CA 2.130 64.405 62.300 -0.042 0.000 1.018 2433 V CB -1.102 30.667 31.823 -0.090 0.000 0.641 2433 V HN 0.512 nan 8.190 nan 0.000 0.445 2434 A N -0.052 122.685 122.820 -0.139 0.000 1.873 2434 A HA -0.306 4.014 4.320 0.000 0.000 0.218 2434 A C 2.341 179.994 177.584 0.114 0.000 1.193 2434 A CA 2.384 54.315 52.037 -0.176 0.000 0.629 2434 A CB -0.627 18.000 19.000 -0.620 0.000 0.826 2434 A HN 0.534 nan 8.150 nan 0.000 0.447 2435 R N -0.566 120.043 120.500 0.182 0.000 2.096 2435 R HA -0.185 4.155 4.340 0.000 0.000 0.240 2435 R C 2.105 178.537 176.300 0.220 0.000 1.139 2435 R CA 1.941 58.216 56.100 0.292 0.000 0.952 2435 R CB -0.528 29.906 30.300 0.223 0.000 0.854 2435 R HN 0.726 nan 8.270 nan 0.000 0.436 2436 N N -0.751 118.060 118.700 0.186 0.000 2.142 2436 N HA -0.185 4.555 4.740 0.000 0.000 0.186 2436 N C 1.754 177.457 175.510 0.322 0.000 1.023 2436 N CA 1.116 54.293 53.050 0.211 0.000 0.852 2436 N CB -0.181 38.410 38.487 0.173 0.000 0.998 2436 N HN 0.268 nan 8.380 nan 0.000 0.424 2437 H N 1.254 120.470 119.070 0.242 0.000 2.352 2437 H HA -0.033 4.523 4.556 0.000 0.000 0.299 2437 H C 2.198 177.712 175.328 0.310 0.000 1.097 2437 H CA 1.607 57.875 56.048 0.367 0.000 1.311 2437 H CB 0.073 30.011 29.762 0.294 0.000 1.377 2437 H HN 0.059 nan 8.280 nan 0.000 0.504 2438 R N 0.274 120.926 120.500 0.252 0.000 2.070 2438 R HA -0.134 4.206 4.340 0.000 0.000 0.232 2438 R C 1.226 177.573 176.300 0.079 0.000 1.138 2438 R CA 2.044 58.242 56.100 0.164 0.000 0.936 2438 R CB -0.248 30.200 30.300 0.247 0.000 0.839 2438 R HN 0.366 nan 8.270 nan 0.000 0.429 2439 D N 0.262 120.725 120.400 0.105 0.000 2.351 2439 D HA -0.090 4.550 4.640 0.000 0.000 0.216 2439 D C 1.234 177.548 176.300 0.023 0.000 0.968 2439 D CA 1.128 55.165 54.000 0.061 0.000 0.899 2439 D CB 0.048 40.894 40.800 0.076 0.000 0.907 2439 D HN 0.440 nan 8.370 nan 0.000 0.514 2440 A N -0.434 122.395 122.820 0.014 0.000 2.251 2440 A HA 0.430 4.750 4.320 0.000 0.000 0.209 2440 A C 1.825 179.330 177.584 -0.132 0.000 1.187 2440 A CA 0.932 52.912 52.037 -0.096 0.000 0.823 2440 A CB -0.005 18.876 19.000 -0.198 0.000 0.846 2440 A HN 0.231 nan 8.150 nan 0.000 0.486 2441 G N -2.270 106.478 108.800 -0.086 0.000 2.176 2441 G HA2 0.131 4.091 3.960 0.000 0.000 0.232 2441 G HA3 0.131 4.091 3.960 0.000 0.000 0.232 2441 G C 0.339 175.192 174.900 -0.079 0.000 0.986 2441 G CA 0.200 45.256 45.100 -0.074 0.000 0.643 2441 G HN 1.533 nan 8.290 nan 0.000 0.522 2442 A N 0.282 123.012 122.820 -0.151 0.000 2.303 2442 A HA 0.826 5.146 4.320 0.000 0.000 0.317 2442 A C -2.169 175.421 177.584 0.010 0.000 1.149 2442 A CA -1.441 50.528 52.037 -0.113 0.000 0.822 2442 A CB 0.842 19.668 19.000 -0.289 0.000 1.131 2442 A HN 0.088 nan 8.150 nan 0.000 0.493 2443 P HA 0.264 nan 4.420 nan 0.000 0.267 2443 P C -0.505 176.996 177.300 0.336 0.000 1.205 2443 P CA 0.619 63.831 63.100 0.187 0.000 0.765 2443 P CB 0.835 32.672 31.700 0.228 0.000 0.828 2444 T N 2.860 117.513 114.554 0.165 0.000 2.900 2444 T HA 0.589 4.939 4.350 0.000 0.000 0.295 2444 T C -1.134 173.491 174.700 -0.124 0.000 1.044 2444 T CA -0.265 61.964 62.100 0.215 0.000 0.995 2444 T CB 0.857 69.916 68.868 0.318 0.000 1.072 2444 T HN 0.133 nan 8.240 nan 0.000 0.473 2445 Y N 0.677 120.987 120.300 0.016 0.000 2.562 2445 Y HA 0.714 5.264 4.550 0.000 0.000 0.345 2445 Y C -0.155 175.745 175.900 -0.000 0.000 1.045 2445 Y CA -1.102 56.985 58.100 -0.022 0.000 1.028 2445 Y CB 2.187 40.357 38.460 -0.484 0.000 1.297 2445 Y HN 0.370 nan 8.280 nan 0.000 0.463 2446 M N 2.376 122.268 119.600 0.487 0.000 2.631 2446 M HA 0.539 5.019 4.480 0.000 0.000 0.288 2446 M C -1.718 174.930 176.300 0.581 0.000 1.260 2446 M CA -0.968 54.488 55.300 0.260 0.000 0.842 2446 M CB 3.534 36.068 32.600 -0.110 0.000 1.743 2446 M HN 0.768 nan 8.290 nan 0.000 0.461 2447 Y N -1.542 118.903 120.300 0.242 0.000 2.656 2447 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 2447 Y C -1.702 174.287 175.900 0.148 0.000 1.179 2447 Y CA -0.952 57.236 58.100 0.148 0.000 1.050 2447 Y CB 1.553 40.035 38.460 0.036 0.000 1.308 2447 Y HN 0.687 nan 8.280 nan 0.000 0.456 2448 E N 2.560 123.022 120.200 0.435 0.000 2.316 2448 E HA 0.288 4.638 4.350 0.000 0.000 0.254 2448 E C -2.179 174.681 176.600 0.434 0.000 0.902 2448 E CA -0.763 55.834 56.400 0.328 0.000 0.801 2448 E CB 1.156 30.993 29.700 0.229 0.000 1.270 2448 E HN 0.624 nan 8.360 nan 0.000 0.414 2449 F N 3.801 123.980 119.950 0.381 0.000 2.438 2449 F HA 0.228 4.755 4.527 0.000 0.000 0.356 2449 F C -0.250 175.670 175.800 0.201 0.000 1.099 2449 F CA 0.045 58.202 58.000 0.262 0.000 1.185 2449 F CB 0.942 40.107 39.000 0.276 0.000 1.115 2449 F HN 0.426 nan 8.300 nan 0.000 0.526 2450 Q N 7.179 126.743 119.800 -0.393 0.000 2.695 2450 Q HA 0.296 4.636 4.340 0.000 0.000 0.246 2450 Q C -2.293 173.503 176.000 -0.341 0.000 0.961 2450 Q CA -0.600 55.063 55.803 -0.233 0.000 0.708 2450 Q CB 0.940 29.646 28.738 -0.054 0.000 1.282 2450 Q HN 0.822 nan 8.270 nan 0.000 0.482 2451 Y N 0.878 120.853 120.300 -0.542 0.000 2.604 2451 Y HA 0.398 4.948 4.550 0.000 0.000 0.331 2451 Y C -1.902 173.967 175.900 -0.051 0.000 1.158 2451 Y CA -0.919 56.973 58.100 -0.347 0.000 1.056 2451 Y CB 1.584 39.724 38.460 -0.533 0.000 1.330 2451 Y HN 0.531 nan 8.280 nan 0.000 0.457 2452 R N 6.166 126.334 120.500 -0.554 0.000 2.247 2452 R HA 0.470 4.810 4.340 0.000 0.000 0.329 2452 R C -2.769 173.342 176.300 -0.316 0.000 1.014 2452 R CA -2.060 53.859 56.100 -0.302 0.000 0.907 2452 R CB 0.834 30.946 30.300 -0.314 0.000 1.146 2452 R HN 0.382 nan 8.270 nan 0.000 0.499 2453 P HA -0.039 nan 4.420 nan 0.000 0.268 2453 P C 0.159 177.298 177.300 -0.269 0.000 1.205 2453 P CA 0.120 63.252 63.100 0.055 0.000 0.771 2453 P CB 1.380 33.131 31.700 0.084 0.000 0.858 2454 S N 1.195 116.591 115.700 -0.506 0.000 2.515 2454 S HA -0.072 4.398 4.470 0.000 0.000 0.231 2454 S C 1.121 175.287 174.600 -0.723 0.000 0.987 2454 S CA 0.442 58.251 58.200 -0.650 0.000 0.936 2454 S CB -1.077 61.677 63.200 -0.743 0.000 0.766 2454 S HN 0.375 nan 8.310 nan 0.000 0.528 2455 F N 2.152 121.876 119.950 -0.378 0.000 2.765 2455 F HA 0.380 4.907 4.527 0.000 0.000 0.302 2455 F C 1.191 176.736 175.800 -0.425 0.000 1.111 2455 F CA -0.587 57.151 58.000 -0.436 0.000 1.359 2455 F CB -0.589 38.032 39.000 -0.632 0.000 1.097 2455 F HN -0.005 nan 8.300 nan 0.000 0.577 2456 S N 0.356 115.902 115.700 -0.257 0.000 2.563 2456 S HA -0.008 4.462 4.470 0.000 0.000 0.284 2456 S C 0.616 175.150 174.600 -0.112 0.000 1.331 2456 S CA -0.461 57.652 58.200 -0.146 0.000 1.047 2456 S CB 0.666 63.768 63.200 -0.163 0.000 0.859 2456 S HN 0.296 nan 8.310 nan 0.000 0.514 2457 S N 0.949 116.618 115.700 -0.051 0.000 2.552 2457 S HA -0.021 4.449 4.470 0.000 0.000 0.289 2457 S C 0.874 175.342 174.600 -0.219 0.000 1.304 2457 S CA -0.562 57.603 58.200 -0.057 0.000 1.063 2457 S CB 0.135 63.406 63.200 0.119 0.000 0.848 2457 S HN 0.622 nan 8.310 nan 0.000 0.499 2458 D N 4.096 124.417 120.400 -0.132 0.000 2.351 2458 D HA -0.092 4.548 4.640 0.000 0.000 0.216 2458 D C 1.421 177.604 176.300 -0.195 0.000 0.968 2458 D CA 1.204 55.113 54.000 -0.152 0.000 0.899 2458 D CB 0.009 40.758 40.800 -0.084 0.000 0.907 2458 D HN 0.654 nan 8.370 nan 0.000 0.514 2459 M N 0.043 119.513 119.600 -0.216 0.000 2.541 2459 M HA -0.013 4.467 4.480 0.000 0.000 0.252 2459 M C 1.056 177.001 176.300 -0.593 0.000 1.125 2459 M CA 0.292 55.482 55.300 -0.182 0.000 1.091 2459 M CB 0.278 32.968 32.600 0.151 0.000 1.420 2459 M HN -0.244 nan 8.290 nan 0.000 0.486 2460 K N 3.380 123.085 120.400 -1.157 0.000 2.312 2460 K HA 0.221 4.541 4.320 0.000 0.000 0.287 2460 K C -2.346 173.833 176.600 -0.702 0.000 1.062 2460 K CA -1.695 53.617 56.287 -1.626 0.000 0.934 2460 K CB 0.780 32.328 32.500 -1.586 0.000 1.027 2460 K HN -0.107 nan 8.250 nan 0.000 0.478 2461 P HA -0.079 nan 4.420 nan 0.000 0.265 2461 P C -0.300 176.878 177.300 -0.202 0.000 1.193 2461 P CA 0.188 63.145 63.100 -0.238 0.000 0.765 2461 P CB 0.595 32.222 31.700 -0.121 0.000 0.823 2462 K N 1.222 121.524 120.400 -0.163 0.000 2.519 2462 K HA -0.078 4.242 4.320 0.000 0.000 0.196 2462 K C 0.944 177.475 176.600 -0.115 0.000 1.041 2462 K CA 1.465 57.663 56.287 -0.148 0.000 0.954 2462 K CB -0.874 31.546 32.500 -0.133 0.000 0.774 2462 K HN 0.443 nan 8.250 nan 0.000 0.480 2463 T N -1.434 113.070 114.554 -0.084 0.000 3.067 2463 T HA 0.108 4.458 4.350 0.000 0.000 0.257 2463 T C 0.807 175.489 174.700 -0.029 0.000 1.105 2463 T CA -0.304 61.766 62.100 -0.050 0.000 1.104 2463 T CB -0.100 68.754 68.868 -0.023 0.000 0.925 2463 T HN -0.018 nan 8.240 nan 0.000 0.498 2464 V N 3.108 123.004 119.914 -0.029 0.000 2.421 2464 V HA 0.283 4.403 4.120 0.000 0.000 0.271 2464 V C 0.083 176.182 176.094 0.009 0.000 1.031 2464 V CA -0.188 62.124 62.300 0.021 0.000 1.032 2464 V CB -0.435 31.416 31.823 0.047 0.000 1.009 2464 V HN 0.460 nan 8.190 nan 0.000 0.477 2465 I N 4.134 124.721 120.570 0.029 0.000 2.389 2465 I HA 0.605 4.775 4.170 0.000 0.000 0.288 2465 I C 0.927 177.093 176.117 0.083 0.000 0.999 2465 I CA -0.441 60.865 61.300 0.011 0.000 1.129 2465 I CB 1.569 39.551 38.000 -0.030 0.000 1.288 2465 I HN 0.801 nan 8.210 nan 0.000 0.444 2466 G N 3.757 112.643 108.800 0.143 0.000 2.291 2466 G HA2 -0.213 3.747 3.960 0.000 0.000 0.271 2466 G HA3 -0.213 3.747 3.960 0.000 0.000 0.271 2466 G C -0.273 174.783 174.900 0.261 0.000 1.099 2466 G CA -0.278 44.980 45.100 0.264 0.000 0.919 2466 G HN 0.695 nan 8.290 nan 0.000 0.496 2467 D N -0.708 119.848 120.400 0.260 0.000 2.384 2467 D HA 0.336 4.976 4.640 0.000 0.000 0.244 2467 D C 0.950 177.415 176.300 0.276 0.000 1.251 2467 D CA -0.433 53.728 54.000 0.267 0.000 0.961 2467 D CB 0.374 41.361 40.800 0.312 0.000 1.116 2467 D HN 0.359 nan 8.370 nan 0.000 0.484 2468 H N -0.556 118.598 119.070 0.140 0.000 3.070 2468 H HA 0.313 4.869 4.556 0.000 0.000 0.313 2468 H C 1.234 176.646 175.328 0.141 0.000 0.997 2468 H CA 1.620 57.712 56.048 0.073 0.000 1.438 2468 H CB -0.022 29.770 29.762 0.050 0.000 1.455 2468 H HN 0.552 nan 8.280 nan 0.000 0.575 2469 G N 4.264 112.858 108.800 -0.345 0.000 2.176 2469 G HA2 -0.316 3.644 3.960 0.000 0.000 0.253 2469 G HA3 -0.316 3.644 3.960 0.000 0.000 0.253 2469 G C 1.127 175.859 174.900 -0.281 0.000 0.979 2469 G CA 0.479 45.233 45.100 -0.577 0.000 0.641 2469 G HN 0.643 nan 8.290 nan 0.000 0.530 2470 D N 0.718 121.145 120.400 0.044 0.000 2.264 2470 D HA -0.002 4.638 4.640 0.000 0.000 0.208 2470 D C 2.408 178.744 176.300 0.059 0.000 0.966 2470 D CA 1.292 55.474 54.000 0.303 0.000 0.864 2470 D CB 0.051 41.140 40.800 0.482 0.000 0.933 2470 D HN 0.698 nan 8.370 nan 0.000 0.499 2471 E N 0.828 120.709 120.200 -0.533 0.000 2.285 2471 E HA -0.100 4.250 4.350 0.000 0.000 0.194 2471 E C 2.093 178.328 176.600 -0.609 0.000 0.997 2471 E CA 0.176 55.859 56.400 -1.196 0.000 0.845 2471 E CB -0.655 28.340 29.700 -1.175 0.000 0.782 2471 E HN 0.313 nan 8.360 nan 0.000 0.491 2472 L N -0.031 120.900 121.223 -0.486 0.000 2.081 2472 L HA -0.173 4.167 4.340 0.000 0.000 0.212 2472 L C 2.450 179.027 176.870 -0.487 0.000 1.080 2472 L CA 1.618 56.160 54.840 -0.497 0.000 0.754 2472 L CB -0.634 40.981 42.059 -0.739 0.000 0.893 2472 L HN 0.035 nan 8.230 nan 0.000 0.433 2473 F N -0.928 118.919 119.950 -0.171 0.000 2.365 2473 F HA -0.144 4.383 4.527 0.000 0.000 0.300 2473 F C 2.560 178.283 175.800 -0.128 0.000 1.090 2473 F CA 0.942 58.854 58.000 -0.148 0.000 1.408 2473 F CB -0.452 38.531 39.000 -0.028 0.000 1.060 2473 F HN -0.020 nan 8.300 nan 0.000 0.534 2474 S N -0.303 115.371 115.700 -0.043 0.000 2.371 2474 S HA -0.066 4.405 4.470 0.000 0.000 0.221 2474 S C 2.262 176.688 174.600 -0.289 0.000 1.036 2474 S CA 0.748 58.877 58.200 -0.117 0.000 0.965 2474 S CB -0.416 62.696 63.200 -0.147 0.000 0.845 2474 S HN 0.108 nan 8.310 nan 0.000 0.475 2475 V N 0.802 120.425 119.914 -0.485 0.000 2.407 2475 V HA -0.101 4.019 4.120 0.000 0.000 0.248 2475 V C 1.219 176.928 176.094 -0.641 0.000 1.055 2475 V CA 1.597 63.474 62.300 -0.705 0.000 1.049 2475 V CB -0.627 30.724 31.823 -0.787 0.000 0.662 2475 V HN 0.455 nan 8.190 nan 0.000 0.455 2476 F N 0.162 119.906 119.950 -0.343 0.000 2.668 2476 F HA 0.479 5.006 4.527 0.000 0.000 0.297 2476 F C 1.618 177.303 175.800 -0.191 0.000 1.124 2476 F CA 0.432 58.260 58.000 -0.286 0.000 1.353 2476 F CB -0.007 38.777 39.000 -0.360 0.000 0.992 2476 F HN 0.221 nan 8.300 nan 0.000 0.524 2477 G N 0.768 109.555 108.800 -0.021 0.000 2.283 2477 G HA2 -0.349 3.611 3.960 0.000 0.000 0.280 2477 G HA3 -0.349 3.611 3.960 0.000 0.000 0.280 2477 G C 1.364 176.327 174.900 0.106 0.000 1.029 2477 G CA 0.378 45.566 45.100 0.146 0.000 0.840 2477 G HN 0.591 nan 8.290 nan 0.000 0.505 2478 A N 0.392 123.173 122.820 -0.065 0.000 1.927 2478 A HA -0.003 4.317 4.320 0.000 0.000 0.220 2478 A C 0.686 178.091 177.584 -0.299 0.000 1.185 2478 A CA 2.361 54.214 52.037 -0.306 0.000 0.639 2478 A CB -1.019 17.619 19.000 -0.603 0.000 0.820 2478 A HN 0.489 nan 8.150 nan 0.000 0.451 2479 P HA -0.130 nan 4.420 nan 0.000 0.220 2479 P C 0.619 177.651 177.300 -0.447 0.000 1.144 2479 P CA 1.049 64.029 63.100 -0.201 0.000 0.800 2479 P CB -0.152 31.288 31.700 -0.434 0.000 0.772 2480 F N -2.721 117.241 119.950 0.021 0.000 2.749 2480 F HA 0.197 4.724 4.527 0.000 0.000 0.300 2480 F C 1.838 177.673 175.800 0.057 0.000 1.103 2480 F CA 0.426 58.462 58.000 0.059 0.000 1.342 2480 F CB -0.232 38.803 39.000 0.059 0.000 1.098 2480 F HN -0.181 nan 8.300 nan 0.000 0.586 2481 L N -1.573 119.721 121.223 0.118 0.000 2.653 2481 L HA 0.208 4.548 4.340 0.000 0.000 0.230 2481 L C 1.080 177.974 176.870 0.039 0.000 1.055 2481 L CA 0.224 55.110 54.840 0.077 0.000 0.880 2481 L CB 0.137 42.219 42.059 0.038 0.000 1.195 2481 L HN -0.171 nan 8.230 nan 0.000 0.492 2482 K N 0.401 120.801 120.400 0.001 0.000 2.646 2482 K HA 0.306 4.626 4.320 0.000 0.000 0.270 2482 K C -0.285 176.403 176.600 0.146 0.000 1.026 2482 K CA -0.447 55.876 56.287 0.058 0.000 1.043 2482 K CB 0.951 33.448 32.500 -0.005 0.000 1.383 2482 K HN -0.108 nan 8.250 nan 0.000 0.513 2483 E N -1.612 118.711 120.200 0.206 0.000 2.336 2483 E HA 0.361 4.711 4.350 0.000 0.000 0.267 2483 E C -0.138 176.519 176.600 0.094 0.000 0.906 2483 E CA -0.276 56.202 56.400 0.130 0.000 0.781 2483 E CB 1.630 31.373 29.700 0.071 0.000 1.261 2483 E HN 0.635 nan 8.360 nan 0.000 0.436 2484 G N 1.184 109.988 108.800 0.007 0.000 2.195 2484 G HA2 -0.283 3.677 3.960 0.000 0.000 0.246 2484 G HA3 -0.283 3.677 3.960 0.000 0.000 0.246 2484 G C 0.353 175.165 174.900 -0.145 0.000 0.984 2484 G CA 0.046 45.097 45.100 -0.083 0.000 0.633 2484 G HN 0.882 nan 8.290 nan 0.000 0.525 2485 A N 0.715 123.476 122.820 -0.100 0.000 2.540 2485 A HA 0.592 4.913 4.320 0.000 0.000 0.239 2485 A C 1.169 178.697 177.584 -0.092 0.000 1.061 2485 A CA 1.197 53.164 52.037 -0.117 0.000 0.758 2485 A CB 0.128 19.125 19.000 -0.004 0.000 0.991 2485 A HN 2.009 nan 8.150 nan 0.000 0.502 2486 S N 1.213 116.863 115.700 -0.083 0.000 2.661 2486 S HA 0.278 4.748 4.470 0.000 0.000 0.265 2486 S C 0.994 175.574 174.600 -0.033 0.000 1.225 2486 S CA 0.355 58.525 58.200 -0.050 0.000 0.986 2486 S CB 0.710 63.888 63.200 -0.036 0.000 1.008 2486 S HN 0.786 nan 8.310 nan 0.000 0.565 2487 E N 0.727 120.917 120.200 -0.018 0.000 2.051 2487 E HA -0.202 4.148 4.350 0.000 0.000 0.192 2487 E C 1.953 178.551 176.600 -0.004 0.000 0.991 2487 E CA 2.007 58.402 56.400 -0.008 0.000 0.799 2487 E CB -0.608 29.093 29.700 0.002 0.000 0.748 2487 E HN 0.844 nan 8.360 nan 0.000 0.449 2488 E N 0.292 120.496 120.200 0.007 0.000 2.070 2488 E HA -0.310 4.040 4.350 0.000 0.000 0.197 2488 E C 2.115 178.704 176.600 -0.020 0.000 1.004 2488 E CA 1.687 58.095 56.400 0.014 0.000 0.805 2488 E CB -0.255 29.482 29.700 0.062 0.000 0.744 2488 E HN 0.440 nan 8.360 nan 0.000 0.451 2489 E N 0.143 120.353 120.200 0.017 0.000 2.051 2489 E HA -0.181 4.169 4.350 0.000 0.000 0.192 2489 E C 2.256 178.821 176.600 -0.058 0.000 0.991 2489 E CA 1.392 57.786 56.400 -0.009 0.000 0.799 2489 E CB -0.127 29.625 29.700 0.088 0.000 0.748 2489 E HN 0.392 nan 8.360 nan 0.000 0.449 2490 I N 0.590 121.114 120.570 -0.077 0.000 2.194 2490 I HA -0.337 3.833 4.170 0.000 0.000 0.246 2490 I C 2.619 178.741 176.117 0.009 0.000 1.093 2490 I CA 1.312 62.529 61.300 -0.140 0.000 1.355 2490 I CB -0.283 37.639 38.000 -0.130 0.000 1.046 2490 I HN 0.091 nan 8.210 nan 0.000 0.413 2491 R N 0.091 120.595 120.500 0.007 0.000 2.081 2491 R HA -0.175 4.165 4.340 0.000 0.000 0.235 2491 R C 2.303 178.595 176.300 -0.013 0.000 1.131 2491 R CA 1.213 57.325 56.100 0.020 0.000 0.960 2491 R CB -0.533 29.766 30.300 -0.001 0.000 0.856 2491 R HN 0.218 nan 8.270 nan 0.000 0.436 2492 L N 0.649 121.825 121.223 -0.078 0.000 2.042 2492 L HA -0.194 4.146 4.340 0.000 0.000 0.210 2492 L C 2.316 179.154 176.870 -0.054 0.000 1.076 2492 L CA 1.899 56.665 54.840 -0.123 0.000 0.749 2492 L CB -0.747 41.111 42.059 -0.335 0.000 0.893 2492 L HN 0.057 nan 8.230 nan 0.000 0.432 2493 S N -0.981 114.712 115.700 -0.012 0.000 2.356 2493 S HA -0.210 4.260 4.470 0.000 0.000 0.223 2493 S C 2.052 176.665 174.600 0.023 0.000 1.032 2493 S CA 1.442 59.658 58.200 0.027 0.000 1.005 2493 S CB -0.192 63.094 63.200 0.144 0.000 0.867 2493 S HN 0.533 nan 8.310 nan 0.000 0.449 2494 K N 0.492 120.948 120.400 0.093 0.000 2.044 2494 K HA -0.177 4.143 4.320 0.000 0.000 0.210 2494 K C 2.337 178.907 176.600 -0.050 0.000 1.049 2494 K CA 1.883 58.181 56.287 0.019 0.000 0.927 2494 K CB -0.356 32.194 32.500 0.084 0.000 0.713 2494 K HN 0.463 nan 8.250 nan 0.000 0.443 2495 M N 0.901 120.465 119.600 -0.060 0.000 2.059 2495 M HA -0.199 4.281 4.480 0.000 0.000 0.259 2495 M C 2.105 178.363 176.300 -0.071 0.000 1.072 2495 M CA 1.656 56.873 55.300 -0.139 0.000 1.117 2495 M CB -0.069 32.474 32.600 -0.094 0.000 1.320 2495 M HN -0.042 nan 8.290 nan 0.000 0.408 2496 V N 1.059 120.976 119.914 0.006 0.000 2.287 2496 V HA -0.358 3.762 4.120 0.000 0.000 0.248 2496 V C 2.464 178.524 176.094 -0.058 0.000 1.053 2496 V CA 2.297 64.584 62.300 -0.021 0.000 1.027 2496 V CB -0.732 30.877 31.823 -0.357 0.000 0.646 2496 V HN 0.585 nan 8.190 nan 0.000 0.447 2497 M N -0.636 118.874 119.600 -0.149 0.000 2.108 2497 M HA -0.244 4.236 4.480 0.000 0.000 0.261 2497 M C 2.350 178.674 176.300 0.041 0.000 1.066 2497 M CA 2.011 57.239 55.300 -0.120 0.000 1.107 2497 M CB -0.544 31.951 32.600 -0.176 0.000 1.356 2497 M HN 0.264 nan 8.290 nan 0.000 0.406 2498 K N 0.421 120.832 120.400 0.019 0.000 2.025 2498 K HA -0.108 4.212 4.320 0.000 0.000 0.207 2498 K C 1.784 178.479 176.600 0.158 0.000 1.049 2498 K CA 1.427 57.730 56.287 0.026 0.000 0.933 2498 K CB -0.169 32.281 32.500 -0.084 0.000 0.714 2498 K HN 0.173 nan 8.250 nan 0.000 0.438 2499 F N -0.290 119.791 119.950 0.219 0.000 2.091 2499 F HA -0.288 4.239 4.527 0.000 0.000 0.299 2499 F C 2.325 178.300 175.800 0.292 0.000 1.103 2499 F CA 0.802 58.983 58.000 0.303 0.000 1.228 2499 F CB -0.121 39.200 39.000 0.536 0.000 0.984 2499 F HN 0.281 nan 8.300 nan 0.000 0.477 2500 W N -0.088 121.302 121.300 0.150 0.000 2.378 2500 W HA -0.198 4.462 4.660 0.000 0.000 0.313 2500 W C 2.638 179.152 176.519 -0.009 0.000 1.197 2500 W CA 0.993 58.339 57.345 0.002 0.000 1.304 2500 W CB -0.639 28.752 29.460 -0.114 0.000 1.148 2500 W HN -0.030 nan 8.180 nan 0.000 0.494 2501 A N 0.693 123.637 122.820 0.207 0.000 1.933 2501 A HA -0.235 4.085 4.320 0.000 0.000 0.218 2501 A C 1.670 179.296 177.584 0.071 0.000 1.175 2501 A CA 1.926 54.013 52.037 0.083 0.000 0.628 2501 A CB -1.000 18.031 19.000 0.052 0.000 0.814 2501 A HN 0.263 nan 8.150 nan 0.000 0.444 2502 N N -0.939 117.825 118.700 0.106 0.000 2.120 2502 N HA -0.135 4.605 4.740 0.000 0.000 0.188 2502 N C 1.361 176.890 175.510 0.032 0.000 1.024 2502 N CA 1.395 54.489 53.050 0.072 0.000 0.852 2502 N CB -0.617 37.938 38.487 0.115 0.000 1.003 2502 N HN 0.519 nan 8.380 nan 0.000 0.424 2503 F N 1.659 121.532 119.950 -0.129 0.000 2.102 2503 F HA -0.105 4.422 4.527 0.000 0.000 0.298 2503 F C 2.181 177.893 175.800 -0.146 0.000 1.105 2503 F CA 1.350 59.211 58.000 -0.232 0.000 1.239 2503 F CB -0.530 38.235 39.000 -0.391 0.000 0.991 2503 F HN 0.045 nan 8.300 nan 0.000 0.474 2504 A N 0.286 123.072 122.820 -0.058 0.000 1.940 2504 A HA -0.189 4.131 4.320 0.000 0.000 0.219 2504 A C 2.354 179.865 177.584 -0.121 0.000 1.176 2504 A CA 1.753 53.728 52.037 -0.103 0.000 0.631 2504 A CB -0.649 18.327 19.000 -0.040 0.000 0.814 2504 A HN 0.460 nan 8.150 nan 0.000 0.446 2505 R N -0.724 119.722 120.500 -0.089 0.000 2.062 2505 R HA -0.007 4.333 4.340 0.000 0.000 0.229 2505 R C 0.737 176.970 176.300 -0.111 0.000 1.128 2505 R CA 1.419 57.474 56.100 -0.074 0.000 0.960 2505 R CB -0.105 30.175 30.300 -0.033 0.000 0.855 2505 R HN 0.540 nan 8.270 nan 0.000 0.432 2506 N N -1.298 117.314 118.700 -0.147 0.000 2.171 2506 N HA 0.081 4.821 4.740 0.000 0.000 0.212 2506 N C 0.485 175.850 175.510 -0.242 0.000 1.184 2506 N CA 0.763 53.724 53.050 -0.147 0.000 0.888 2506 N CB 1.820 40.261 38.487 -0.076 0.000 1.038 2506 N HN 0.306 nan 8.380 nan 0.000 0.517 2507 G N 1.759 110.257 108.800 -0.503 0.000 2.179 2507 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 2507 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 2507 G C -0.180 174.446 174.900 -0.457 0.000 1.010 2507 G CA 0.299 44.913 45.100 -0.810 0.000 0.736 2507 G HN 0.466 nan 8.290 nan 0.000 0.513 2508 N N -0.685 117.830 118.700 -0.308 0.000 2.455 2508 N HA 0.374 5.115 4.740 0.000 0.000 0.285 2508 N C -1.975 173.429 175.510 -0.176 0.000 1.080 2508 N CA -1.250 51.685 53.050 -0.191 0.000 0.932 2508 N CB 2.324 40.795 38.487 -0.027 0.000 1.610 2508 N HN -0.061 nan 8.380 nan 0.000 0.493 2509 P HA 0.008 nan 4.420 nan 0.000 0.231 2509 P C -0.213 177.210 177.300 0.204 0.000 1.168 2509 P CA 0.296 63.306 63.100 -0.151 0.000 0.779 2509 P CB 0.408 31.705 31.700 -0.673 0.000 0.844 2510 N N 0.910 119.684 118.700 0.124 0.000 2.441 2510 N HA 0.263 5.003 4.740 0.000 0.000 0.251 2510 N C 0.896 176.531 175.510 0.209 0.000 1.242 2510 N CA 1.143 54.360 53.050 0.279 0.000 0.898 2510 N CB 0.471 39.111 38.487 0.255 0.000 1.100 2510 N HN 0.148 nan 8.380 nan 0.000 0.443 2511 G N -0.173 108.748 108.800 0.202 0.000 2.576 2511 G HA2 0.177 4.137 3.960 0.000 0.000 0.290 2511 G HA3 0.177 4.137 3.960 0.000 0.000 0.290 2511 G C -1.392 173.561 174.900 0.090 0.000 1.442 2511 G CA -0.693 44.474 45.100 0.112 0.000 0.792 2511 G HN 0.504 nan 8.290 nan 0.000 0.491 2512 E N -0.480 119.755 120.200 0.059 0.000 2.414 2512 E HA 0.410 4.760 4.350 0.000 0.000 0.263 2512 E C 1.352 177.966 176.600 0.024 0.000 1.000 2512 E CA 1.325 57.753 56.400 0.047 0.000 0.914 2512 E CB 0.280 30.001 29.700 0.035 0.000 0.948 2512 E HN 1.912 nan 8.360 nan 0.000 0.444 2513 G N 3.650 112.468 108.800 0.030 0.000 2.162 2513 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 2513 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 2513 G C -0.112 174.779 174.900 -0.016 0.000 0.976 2513 G CA 0.360 45.466 45.100 0.009 0.000 0.655 2513 G HN 0.435 nan 8.290 nan 0.000 0.533 2514 L N 1.602 122.824 121.223 -0.003 0.000 2.346 2514 L HA 0.510 4.850 4.340 0.000 0.000 0.276 2514 L C -1.634 175.332 176.870 0.159 0.000 1.006 2514 L CA -2.412 52.393 54.840 -0.059 0.000 0.817 2514 L CB 1.875 43.771 42.059 -0.272 0.000 1.272 2514 L HN -0.084 nan 8.230 nan 0.000 0.421 2515 P HA -0.070 nan 4.420 nan 0.000 0.264 2515 P C -0.745 176.821 177.300 0.444 0.000 1.183 2515 P CA -0.035 63.245 63.100 0.299 0.000 0.763 2515 P CB 0.370 32.223 31.700 0.255 0.000 0.807 2516 H N 2.956 122.185 119.070 0.264 0.000 2.964 2516 H HA 0.090 4.646 4.556 0.000 0.000 0.328 2516 H C -0.910 174.611 175.328 0.321 0.000 1.030 2516 H CA 0.358 56.579 56.048 0.288 0.000 1.445 2516 H CB 0.170 30.049 29.762 0.196 0.000 1.449 2516 H HN 0.415 nan 8.280 nan 0.000 0.581 2517 W N 9.831 130.823 121.300 -0.514 0.000 2.338 2517 W HA 0.307 4.967 4.660 0.000 0.000 0.315 2517 W C -2.793 173.478 176.519 -0.414 0.000 1.005 2517 W CA -3.236 53.894 57.345 -0.359 0.000 1.380 2517 W CB 0.768 30.034 29.460 -0.322 0.000 1.235 2517 W HN 0.578 nan 8.180 nan 0.000 0.409 2518 P HA -0.014 nan 4.420 nan 0.000 0.269 2518 P C -0.292 177.181 177.300 0.288 0.000 1.209 2518 P CA 0.290 63.515 63.100 0.208 0.000 0.776 2518 P CB 1.198 33.037 31.700 0.231 0.000 0.876 2519 E N 2.083 122.330 120.200 0.077 0.000 2.344 2519 E HA -0.036 4.314 4.350 0.000 0.000 0.270 2519 E C -0.809 175.713 176.600 -0.131 0.000 1.021 2519 E CA -0.543 55.637 56.400 -0.367 0.000 0.887 2519 E CB 0.124 29.634 29.700 -0.316 0.000 0.997 2519 E HN 0.366 nan 8.360 nan 0.000 0.429 2520 Y N 6.460 126.601 120.300 -0.265 0.000 2.601 2520 Y HA 0.001 4.551 4.550 0.000 0.000 0.350 2520 Y C -0.309 175.564 175.900 -0.045 0.000 1.230 2520 Y CA -0.054 58.021 58.100 -0.042 0.000 1.733 2520 Y CB -0.594 37.872 38.460 0.011 0.000 1.497 2520 Y HN 0.533 nan 8.280 nan 0.000 0.472 2521 N N 0.850 119.415 118.700 -0.225 0.000 2.909 2521 N HA 0.110 4.850 4.740 0.000 0.000 0.326 2521 N C 0.645 175.996 175.510 -0.265 0.000 1.368 2521 N CA -0.364 52.583 53.050 -0.171 0.000 0.797 2521 N CB 0.121 38.558 38.487 -0.084 0.000 1.150 2521 N HN 0.267 nan 8.380 nan 0.000 0.550 2522 Q N -0.247 119.468 119.800 -0.141 0.000 2.291 2522 Q HA 0.005 4.345 4.340 0.000 0.000 0.205 2522 Q C 0.929 176.851 176.000 -0.130 0.000 0.970 2522 Q CA 1.158 56.889 55.803 -0.120 0.000 0.876 2522 Q CB -0.303 28.402 28.738 -0.055 0.000 0.935 2522 Q HN 0.614 nan 8.270 nan 0.000 0.455 2523 K N 0.597 120.923 120.400 -0.125 0.000 2.432 2523 K HA -0.019 4.301 4.320 0.000 0.000 0.196 2523 K C -0.042 176.489 176.600 -0.115 0.000 1.038 2523 K CA 0.006 56.245 56.287 -0.080 0.000 0.986 2523 K CB 0.282 32.761 32.500 -0.034 0.000 0.782 2523 K HN 0.184 nan 8.250 nan 0.000 0.485 2524 E N 0.041 120.057 120.200 -0.307 0.000 2.320 2524 E HA -0.145 4.205 4.350 0.000 0.000 0.234 2524 E C -0.089 176.514 176.600 0.004 0.000 1.183 2524 E CA 0.095 56.213 56.400 -0.470 0.000 0.713 2524 E CB -1.590 27.976 29.700 -0.224 0.000 1.226 2524 E HN 0.504 nan 8.360 nan 0.000 0.382 2525 G N 0.773 109.597 108.800 0.040 0.000 2.432 2525 G HA2 0.428 4.388 3.960 0.000 0.000 0.257 2525 G HA3 0.428 4.388 3.960 0.000 0.000 0.257 2525 G C -0.361 174.787 174.900 0.413 0.000 1.238 2525 G CA 0.007 45.216 45.100 0.181 0.000 0.838 2525 G HN 0.299 nan 8.290 nan 0.000 0.547 2526 Y N 0.034 120.456 120.300 0.203 0.000 2.625 2526 Y HA 0.689 5.239 4.550 0.000 0.000 0.338 2526 Y C -1.426 174.431 175.900 -0.072 0.000 1.123 2526 Y CA -1.891 56.331 58.100 0.204 0.000 1.046 2526 Y CB 1.589 40.179 38.460 0.218 0.000 1.299 2526 Y HN 0.532 nan 8.280 nan 0.000 0.464 2527 L N 2.809 123.812 121.223 -0.368 0.000 2.275 2527 L HA 0.444 4.784 4.340 0.000 0.000 0.288 2527 L C -0.754 175.942 176.870 -0.291 0.000 1.046 2527 L CA -0.410 54.007 54.840 -0.706 0.000 0.805 2527 L CB 1.460 42.485 42.059 -1.723 0.000 1.193 2527 L HN 0.761 nan 8.230 nan 0.000 0.426 2528 Q N 6.547 126.204 119.800 -0.238 0.000 2.456 2528 Q HA 0.398 4.738 4.340 0.000 0.000 0.234 2528 Q C -0.863 175.097 176.000 -0.067 0.000 1.061 2528 Q CA -0.132 55.649 55.803 -0.037 0.000 0.896 2528 Q CB 0.947 29.658 28.738 -0.045 0.000 1.233 2528 Q HN 0.601 nan 8.270 nan 0.000 0.506 2529 I N 1.854 122.411 120.570 -0.022 0.000 2.371 2529 I HA 0.554 4.725 4.170 0.000 0.000 0.290 2529 I C 0.769 176.806 176.117 -0.133 0.000 1.028 2529 I CA -0.105 61.178 61.300 -0.029 0.000 1.345 2529 I CB 1.037 39.081 38.000 0.073 0.000 1.407 2529 I HN 0.687 nan 8.210 nan 0.000 0.501 2530 G N 3.262 111.978 108.800 -0.140 0.000 2.435 2530 G HA2 0.412 4.372 3.960 0.000 0.000 0.296 2530 G HA3 0.412 4.372 3.960 0.000 0.000 0.296 2530 G C 0.289 175.118 174.900 -0.118 0.000 1.240 2530 G CA 0.050 45.034 45.100 -0.195 0.000 0.872 2530 G HN 0.537 nan 8.290 nan 0.000 0.480 2531 A N -0.374 122.457 122.820 0.018 0.000 1.917 2531 A HA 0.045 4.365 4.320 0.000 0.000 0.219 2531 A C 1.200 178.787 177.584 0.006 0.000 1.182 2531 A CA 2.391 54.460 52.037 0.053 0.000 0.633 2531 A CB -0.556 18.538 19.000 0.157 0.000 0.819 2531 A HN 1.148 nan 8.150 nan 0.000 0.448 2532 N N -0.369 118.334 118.700 0.005 0.000 2.479 2532 N HA 0.347 5.087 4.740 0.000 0.000 0.261 2532 N C -1.434 174.070 175.510 -0.010 0.000 0.979 2532 N CA -0.082 52.968 53.050 0.001 0.000 0.930 2532 N CB 1.111 39.601 38.487 0.006 0.000 1.172 2532 N HN -0.012 nan 8.380 nan 0.000 0.499 2533 T N 3.348 117.901 114.554 -0.002 0.000 2.758 2533 T HA 0.524 4.874 4.350 0.000 0.000 0.285 2533 T C -0.949 173.752 174.700 0.000 0.000 0.981 2533 T CA -0.426 61.673 62.100 -0.003 0.000 0.965 2533 T CB 0.899 69.793 68.868 0.043 0.000 0.927 2533 T HN 0.612 nan 8.240 nan 0.000 0.448 2534 Q N 1.320 121.095 119.800 -0.043 0.000 2.435 2534 Q HA 0.750 5.090 4.340 0.000 0.000 0.282 2534 Q C -0.985 174.937 176.000 -0.130 0.000 1.020 2534 Q CA -1.064 54.711 55.803 -0.047 0.000 0.820 2534 Q CB 1.248 29.969 28.738 -0.029 0.000 1.436 2534 Q HN 0.697 nan 8.270 nan 0.000 0.395 2535 A N 0.798 123.553 122.820 -0.109 0.000 2.386 2535 A HA 0.840 5.160 4.320 0.000 0.000 0.248 2535 A C -0.306 177.132 177.584 -0.243 0.000 1.082 2535 A CA 0.559 52.484 52.037 -0.186 0.000 0.789 2535 A CB 0.205 19.178 19.000 -0.046 0.000 1.025 2535 A HN 1.012 nan 8.150 nan 0.000 0.490 2536 A N 0.805 123.356 122.820 -0.448 0.000 2.529 2536 A HA 0.760 5.080 4.320 0.000 0.000 0.296 2536 A C -0.786 176.567 177.584 -0.384 0.000 1.205 2536 A CA -0.580 51.196 52.037 -0.435 0.000 0.671 2536 A CB 0.981 19.644 19.000 -0.561 0.000 1.301 2536 A HN 0.849 nan 8.150 nan 0.000 0.450 2537 Q N -0.079 119.688 119.800 -0.056 0.000 2.544 2537 Q HA 0.526 4.866 4.340 0.000 0.000 0.291 2537 Q C -1.321 174.912 176.000 0.388 0.000 1.068 2537 Q CA -1.190 54.732 55.803 0.198 0.000 0.785 2537 Q CB 1.608 30.402 28.738 0.092 0.000 1.481 2537 Q HN 0.540 nan 8.270 nan 0.000 0.430 2538 K N 0.909 121.494 120.400 0.307 0.000 3.939 2538 K HA -0.185 4.135 4.320 0.000 0.000 0.281 2538 K C -0.989 175.720 176.600 0.182 0.000 0.981 2538 K CA 0.191 56.603 56.287 0.208 0.000 0.833 2538 K CB -1.554 31.029 32.500 0.137 0.000 1.501 2538 K HN 0.550 nan 8.250 nan 0.000 0.445 2539 L N 2.221 123.465 121.223 0.035 0.000 2.410 2539 L HA 0.116 4.456 4.340 0.000 0.000 0.273 2539 L C 0.835 177.656 176.870 -0.083 0.000 1.152 2539 L CA 0.501 55.158 54.840 -0.304 0.000 0.855 2539 L CB 0.441 42.016 42.059 -0.808 0.000 1.129 2539 L HN 0.377 nan 8.230 nan 0.000 0.463 2540 K N 2.867 123.243 120.400 -0.040 0.000 2.914 2540 K HA -0.319 4.002 4.320 0.000 0.000 0.253 2540 K C 1.079 177.725 176.600 0.077 0.000 0.986 2540 K CA 1.283 57.593 56.287 0.039 0.000 0.730 2540 K CB -1.419 31.106 32.500 0.042 0.000 1.228 2540 K HN 0.964 nan 8.250 nan 0.000 0.483 2541 D N 1.034 121.477 120.400 0.072 0.000 2.116 2541 D HA -0.178 4.462 4.640 0.000 0.000 0.193 2541 D C 1.411 177.764 176.300 0.087 0.000 0.998 2541 D CA 1.442 55.493 54.000 0.086 0.000 0.836 2541 D CB 0.286 41.135 40.800 0.081 0.000 0.951 2541 D HN 0.476 nan 8.370 nan 0.000 0.449 2542 K N 0.033 120.475 120.400 0.070 0.000 2.057 2542 K HA -0.128 4.192 4.320 0.000 0.000 0.206 2542 K C 2.227 178.886 176.600 0.099 0.000 1.050 2542 K CA 0.929 57.250 56.287 0.057 0.000 0.935 2542 K CB -0.024 32.481 32.500 0.008 0.000 0.715 2542 K HN 0.067 nan 8.250 nan 0.000 0.439 2543 E N 0.820 121.100 120.200 0.133 0.000 2.058 2543 E HA -0.164 4.186 4.350 0.000 0.000 0.194 2543 E C 2.034 178.868 176.600 0.392 0.000 0.997 2543 E CA 1.112 57.679 56.400 0.278 0.000 0.801 2543 E CB -0.430 29.477 29.700 0.345 0.000 0.746 2543 E HN -0.020 nan 8.360 nan 0.000 0.450 2544 V N 1.160 121.240 119.914 0.278 0.000 2.282 2544 V HA -0.343 3.777 4.120 0.000 0.000 0.249 2544 V C 2.241 178.461 176.094 0.210 0.000 1.057 2544 V CA 1.998 64.447 62.300 0.248 0.000 1.032 2544 V CB -1.000 30.918 31.823 0.159 0.000 0.645 2544 V HN 0.390 nan 8.190 nan 0.000 0.447 2545 A N -0.434 122.479 122.820 0.155 0.000 1.883 2545 A HA -0.268 4.052 4.320 0.000 0.000 0.217 2545 A C 2.124 179.754 177.584 0.075 0.000 1.186 2545 A CA 2.218 54.317 52.037 0.103 0.000 0.624 2545 A CB -0.761 18.288 19.000 0.082 0.000 0.822 2545 A HN 0.551 nan 8.150 nan 0.000 0.444 2546 F N -0.890 119.016 119.950 -0.074 0.000 2.102 2546 F HA -0.178 4.349 4.527 0.000 0.000 0.298 2546 F C 1.988 177.610 175.800 -0.295 0.000 1.105 2546 F CA 1.762 59.620 58.000 -0.236 0.000 1.239 2546 F CB -0.545 38.216 39.000 -0.398 0.000 0.991 2546 F HN 0.388 nan 8.300 nan 0.000 0.474 2547 W N 0.327 121.521 121.300 -0.177 0.000 2.418 2547 W HA -0.108 4.552 4.660 0.000 0.000 0.292 2547 W C 2.584 178.912 176.519 -0.319 0.000 1.213 2547 W CA 1.516 58.610 57.345 -0.419 0.000 1.283 2547 W CB -1.012 28.366 29.460 -0.137 0.000 1.119 2547 W HN -0.163 nan 8.180 nan 0.000 0.542 2548 T N 0.076 114.700 114.554 0.116 0.000 2.759 2548 T HA -0.273 4.077 4.350 0.000 0.000 0.269 2548 T C 1.392 176.105 174.700 0.021 0.000 1.042 2548 T CA 1.850 64.022 62.100 0.120 0.000 1.140 2548 T CB -0.484 68.445 68.868 0.102 0.000 0.864 2548 T HN 0.185 nan 8.240 nan 0.000 0.455 2549 N N 0.739 119.372 118.700 -0.111 0.000 2.135 2549 N HA -0.035 4.705 4.740 0.000 0.000 0.186 2549 N C 1.763 177.140 175.510 -0.222 0.000 1.027 2549 N CA 0.678 53.637 53.050 -0.152 0.000 0.849 2549 N CB -0.464 37.911 38.487 -0.187 0.000 1.002 2549 N HN 0.174 nan 8.380 nan 0.000 0.425 2550 L N -0.143 120.792 121.223 -0.480 0.000 2.042 2550 L HA 0.011 4.351 4.340 0.000 0.000 0.210 2550 L C 1.503 178.264 176.870 -0.181 0.000 1.076 2550 L CA 1.706 56.245 54.840 -0.502 0.000 0.749 2550 L CB -0.919 40.567 42.059 -0.955 0.000 0.893 2550 L HN 0.291 nan 8.230 nan 0.000 0.432 2551 F N -0.953 118.984 119.950 -0.022 0.000 2.661 2551 F HA 0.068 4.595 4.527 0.000 0.000 0.298 2551 F C 2.232 178.035 175.800 0.004 0.000 1.137 2551 F CA 0.155 58.169 58.000 0.024 0.000 1.454 2551 F CB -0.276 38.753 39.000 0.049 0.000 1.103 2551 F HN 0.210 nan 8.300 nan 0.000 0.577 2552 A N 0.192 123.098 122.820 0.143 0.000 2.239 2552 A HA -0.007 4.313 4.320 0.000 0.000 0.209 2552 A C 0.982 178.602 177.584 0.061 0.000 1.171 2552 A CA 0.413 52.499 52.037 0.082 0.000 0.768 2552 A CB -0.380 18.642 19.000 0.037 0.000 0.790 2552 A HN 0.216 nan 8.150 nan 0.000 0.478 2553 K N 0.000 120.442 120.400 0.071 0.000 2.780 2553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 2553 K CA 0.000 56.320 56.287 0.054 0.000 0.838 2553 K CB 0.000 32.519 32.500 0.031 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543