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 2h7c_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 0.000 174.689 174.600 0.148 0.000 1.055 2022 S CA 0.000 58.272 58.200 0.120 0.000 1.107 2022 S CB 0.000 63.254 63.200 0.090 0.000 0.593 2023 P HA 0.322 nan 4.420 nan 0.000 0.268 2023 P C -2.681 174.469 177.300 -0.249 0.000 1.208 2023 P CA -0.804 62.190 63.100 -0.178 0.000 0.777 2023 P CB -0.796 30.813 31.700 -0.152 0.000 0.875 2024 P HA 0.124 nan 4.420 nan 0.000 0.276 2024 P C -0.810 176.483 177.300 -0.011 0.000 1.235 2024 P CA -0.033 62.882 63.100 -0.308 0.000 0.772 2024 P CB 0.825 32.194 31.700 -0.550 0.000 0.871 2025 V N 4.551 124.520 119.914 0.091 0.000 2.483 2025 V HA 0.287 4.407 4.120 0.000 0.000 0.297 2025 V C 0.226 176.373 176.094 0.089 0.000 1.027 2025 V CA -0.681 61.700 62.300 0.135 0.000 0.855 2025 V CB 2.168 34.045 31.823 0.089 0.000 0.995 2025 V HN 0.300 nan 8.190 nan 0.000 0.424 2026 V N 3.319 123.267 119.914 0.056 0.000 2.555 2026 V HA 0.446 4.566 4.120 0.000 0.000 0.302 2026 V C -0.320 175.702 176.094 -0.121 0.000 1.038 2026 V CA -0.735 61.453 62.300 -0.187 0.000 0.887 2026 V CB 2.222 33.624 31.823 -0.701 0.000 0.991 2026 V HN 0.812 nan 8.190 nan 0.000 0.434 2027 D N 3.224 123.532 120.400 -0.153 0.000 2.347 2027 D HA 0.350 4.991 4.640 0.000 0.000 0.235 2027 D C 0.210 176.424 176.300 -0.143 0.000 1.149 2027 D CA 0.163 54.104 54.000 -0.098 0.000 0.850 2027 D CB 1.811 42.557 40.800 -0.091 0.000 1.061 2027 D HN 0.760 nan 8.370 nan 0.000 0.487 2028 T N -1.571 112.944 114.554 -0.064 0.000 2.937 2028 T HA 0.234 4.584 4.350 0.000 0.000 0.283 2028 T C 1.612 176.197 174.700 -0.191 0.000 1.012 2028 T CA -0.757 61.300 62.100 -0.073 0.000 0.997 2028 T CB 1.197 70.186 68.868 0.200 0.000 1.136 2028 T HN 0.009 nan 8.240 nan 0.000 0.551 2029 V N 1.162 120.897 119.914 -0.299 0.000 2.287 2029 V HA -0.167 3.953 4.120 0.000 0.000 0.248 2029 V C 2.422 178.279 176.094 -0.396 0.000 1.053 2029 V CA 1.804 63.874 62.300 -0.385 0.000 1.027 2029 V CB -1.115 30.380 31.823 -0.546 0.000 0.646 2029 V HN 0.868 nan 8.190 nan 0.000 0.447 2030 H N -0.187 118.690 119.070 -0.323 0.000 2.539 2030 H HA 0.457 5.014 4.556 0.000 0.000 0.267 2030 H C 0.950 175.519 175.328 -1.265 0.000 0.982 2030 H CA 0.834 56.497 56.048 -0.641 0.000 1.146 2030 H CB 0.258 29.682 29.762 -0.563 0.000 1.382 2030 H HN 0.543 nan 8.280 nan 0.000 0.577 2031 G N 0.075 108.376 108.800 -0.832 0.000 2.361 2031 G HA2 0.022 3.982 3.960 0.000 0.000 0.305 2031 G HA3 0.022 3.982 3.960 0.000 0.000 0.305 2031 G C -1.323 173.555 174.900 -0.036 0.000 1.367 2031 G CA -1.164 43.473 45.100 -0.771 0.000 0.951 2031 G HN 0.038 nan 8.290 nan 0.000 0.615 2032 K N -0.529 120.008 120.400 0.229 0.000 2.237 2032 K HA 0.578 4.898 4.320 0.000 0.000 0.270 2032 K C 0.275 177.192 176.600 0.529 0.000 1.015 2032 K CA -0.426 56.050 56.287 0.315 0.000 0.949 2032 K CB 1.826 34.455 32.500 0.215 0.000 0.976 2032 K HN 1.092 nan 8.250 nan 0.000 0.472 2033 V N 0.498 120.644 119.914 0.388 0.000 2.789 2033 V HA 0.482 4.602 4.120 0.000 0.000 0.311 2033 V C -0.980 175.326 176.094 0.353 0.000 1.073 2033 V CA -1.139 61.393 62.300 0.387 0.000 0.921 2033 V CB 1.777 33.878 31.823 0.463 0.000 1.009 2033 V HN 0.595 nan 8.190 nan 0.000 0.426 2034 L N 4.593 125.973 121.223 0.262 0.000 2.296 2034 L HA 0.915 5.255 4.340 0.000 0.000 0.286 2034 L C 0.335 177.240 176.870 0.059 0.000 1.023 2034 L CA 0.706 55.640 54.840 0.158 0.000 0.812 2034 L CB 0.937 43.032 42.059 0.060 0.000 1.223 2034 L HN 1.064 nan 8.230 nan 0.000 0.421 2035 G N 5.013 113.698 108.800 -0.192 0.000 3.122 2035 G HA2 0.618 4.578 3.960 0.000 0.000 0.180 2035 G HA3 0.618 4.578 3.960 0.000 0.000 0.180 2035 G C -1.225 173.317 174.900 -0.597 0.000 1.279 2035 G CA -0.518 44.155 45.100 -0.711 0.000 0.987 2035 G HN 0.712 nan 8.290 nan 0.000 0.589 2036 K N -1.162 118.830 120.400 -0.680 0.000 2.502 2036 K HA 0.572 4.893 4.320 0.000 0.000 0.257 2036 K C -1.753 174.617 176.600 -0.383 0.000 0.938 2036 K CA -0.821 55.197 56.287 -0.450 0.000 0.819 2036 K CB 1.968 34.313 32.500 -0.258 0.000 1.333 2036 K HN 0.301 nan 8.250 nan 0.000 0.434 2037 F N 1.392 121.275 119.950 -0.111 0.000 2.394 2037 F HA 0.437 4.964 4.527 0.001 0.000 0.340 2037 F C -0.235 175.551 175.800 -0.024 0.000 1.105 2037 F CA -0.892 57.077 58.000 -0.053 0.000 1.124 2037 F CB 1.963 40.953 39.000 -0.018 0.000 1.145 2037 F HN 0.089 nan 8.300 nan 0.000 0.505 2038 V N 2.668 122.719 119.914 0.228 0.000 2.623 2038 V HA 0.270 4.390 4.120 0.000 0.000 0.304 2038 V C -0.589 175.585 176.094 0.133 0.000 1.054 2038 V CA -0.791 61.597 62.300 0.146 0.000 0.882 2038 V CB 1.908 33.806 31.823 0.125 0.000 1.002 2038 V HN 0.737 nan 8.190 nan 0.000 0.424 2039 S N 4.564 120.327 115.700 0.106 0.000 2.554 2039 S HA 0.733 5.203 4.470 0.000 0.000 0.278 2039 S C -0.599 174.069 174.600 0.113 0.000 1.242 2039 S CA -0.382 57.875 58.200 0.095 0.000 1.051 2039 S CB 1.468 64.710 63.200 0.070 0.000 0.986 2039 S HN 0.547 nan 8.310 nan 0.000 0.502 2040 L N 2.870 124.176 121.223 0.139 0.000 2.341 2040 L HA 0.542 4.883 4.340 0.000 0.000 0.278 2040 L C -0.665 176.359 176.870 0.255 0.000 1.005 2040 L CA -0.576 54.372 54.840 0.180 0.000 0.818 2040 L CB 1.192 43.328 42.059 0.129 0.000 1.259 2040 L HN 0.468 nan 8.230 nan 0.000 0.418 2041 E N 3.350 123.680 120.200 0.217 0.000 2.652 2041 E HA 0.388 4.739 4.350 0.000 0.000 0.255 2041 E C 1.037 177.735 176.600 0.163 0.000 0.952 2041 E CA 1.498 57.999 56.400 0.168 0.000 0.947 2041 E CB 0.035 29.829 29.700 0.158 0.000 0.912 2041 E HN 0.854 nan 8.360 nan 0.000 0.489 2042 G N 1.927 110.716 108.800 -0.019 0.000 2.194 2042 G HA2 -0.251 3.710 3.960 0.000 0.000 0.236 2042 G HA3 -0.251 3.710 3.960 0.000 0.000 0.236 2042 G C -0.193 174.259 174.900 -0.746 0.000 0.987 2042 G CA -0.395 44.489 45.100 -0.361 0.000 0.635 2042 G HN 0.328 nan 8.290 nan 0.000 0.520 2043 F N 0.204 120.108 119.950 -0.077 0.000 2.507 2043 F HA 0.744 5.272 4.527 0.001 0.000 0.328 2043 F C 1.153 176.924 175.800 -0.049 0.000 1.136 2043 F CA -0.264 57.688 58.000 -0.079 0.000 0.930 2043 F CB 1.582 40.522 39.000 -0.100 0.000 1.166 2043 F HN 0.105 nan 8.300 nan 0.000 0.436 2044 A N 1.751 124.609 122.820 0.064 0.000 1.877 2044 A HA -0.154 4.166 4.320 0.000 0.000 0.216 2044 A C 1.245 178.845 177.584 0.026 0.000 1.186 2044 A CA 1.100 53.153 52.037 0.025 0.000 0.620 2044 A CB -0.487 18.510 19.000 -0.005 0.000 0.822 2044 A HN 0.676 nan 8.150 nan 0.000 0.443 2045 Q N 1.097 120.927 119.800 0.049 0.000 2.281 2045 Q HA 0.331 4.671 4.340 0.000 0.000 0.267 2045 Q C -2.658 173.351 176.000 0.014 0.000 1.053 2045 Q CA -2.056 53.754 55.803 0.011 0.000 0.905 2045 Q CB 0.216 28.976 28.738 0.036 0.000 1.195 2045 Q HN 0.239 nan 8.270 nan 0.000 0.398 2046 P HA 0.014 nan 4.420 nan 0.000 0.269 2046 P C -1.120 176.237 177.300 0.095 0.000 1.209 2046 P CA -0.283 62.799 63.100 -0.031 0.000 0.776 2046 P CB 0.747 32.307 31.700 -0.233 0.000 0.876 2047 V N 2.544 122.559 119.914 0.168 0.000 2.461 2047 V HA 0.405 4.525 4.120 0.000 0.000 0.275 2047 V C 0.567 176.851 176.094 0.316 0.000 1.047 2047 V CA -0.459 61.974 62.300 0.222 0.000 0.955 2047 V CB 0.700 32.629 31.823 0.178 0.000 0.988 2047 V HN 0.654 nan 8.190 nan 0.000 0.471 2048 A N 7.229 130.257 122.820 0.346 0.000 2.309 2048 A HA 0.718 5.039 4.320 0.000 0.000 0.290 2048 A C -0.373 177.222 177.584 0.019 0.000 1.206 2048 A CA -0.281 51.860 52.037 0.175 0.000 0.850 2048 A CB -0.035 19.160 19.000 0.326 0.000 1.118 2048 A HN 0.768 nan 8.150 nan 0.000 0.523 2049 I N 2.139 122.510 120.570 -0.332 0.000 2.433 2049 I HA 0.451 4.621 4.170 0.000 0.000 0.292 2049 I C -1.284 174.409 176.117 -0.706 0.000 1.001 2049 I CA -0.331 60.734 61.300 -0.392 0.000 1.119 2049 I CB 1.716 39.532 38.000 -0.307 0.000 1.289 2049 I HN 0.541 nan 8.210 nan 0.000 0.438 2050 F N 6.296 126.105 119.950 -0.235 0.000 2.499 2050 F HA 0.528 5.056 4.527 0.000 0.000 0.333 2050 F C -0.384 175.281 175.800 -0.226 0.000 1.138 2050 F CA -0.521 57.391 58.000 -0.147 0.000 0.945 2050 F CB 1.339 40.348 39.000 0.014 0.000 1.181 2050 F HN 0.091 nan 8.300 nan 0.000 0.435 2051 L N 2.431 123.583 121.223 -0.118 0.000 2.317 2051 L HA 0.714 5.054 4.340 0.000 0.000 0.281 2051 L C 0.796 177.604 176.870 -0.103 0.000 1.024 2051 L CA -1.012 53.727 54.840 -0.168 0.000 0.810 2051 L CB 1.713 43.534 42.059 -0.397 0.000 1.240 2051 L HN 0.887 nan 8.230 nan 0.000 0.427 2052 G N 3.288 112.055 108.800 -0.055 0.000 2.272 2052 G HA2 -0.246 3.714 3.960 0.000 0.000 0.280 2052 G HA3 -0.246 3.714 3.960 0.000 0.000 0.280 2052 G C -0.174 174.808 174.900 0.136 0.000 1.067 2052 G CA -0.346 44.716 45.100 -0.063 0.000 0.902 2052 G HN 0.483 nan 8.290 nan 0.000 0.500 2053 I N 2.104 122.746 120.570 0.119 0.000 2.352 2053 I HA 0.228 4.398 4.170 0.000 0.000 0.290 2053 I C -1.428 174.692 176.117 0.004 0.000 1.036 2053 I CA -2.157 59.171 61.300 0.047 0.000 1.336 2053 I CB 1.224 39.170 38.000 -0.090 0.000 1.407 2053 I HN 0.008 nan 8.210 nan 0.000 0.497 2054 P HA 0.036 nan 4.420 nan 0.000 0.276 2054 P C -0.183 176.960 177.300 -0.261 0.000 1.243 2054 P CA -0.051 62.813 63.100 -0.394 0.000 0.768 2054 P CB 0.548 32.042 31.700 -0.343 0.000 0.856 2055 F N 1.482 121.207 119.950 -0.376 0.000 2.678 2055 F HA 0.715 5.243 4.527 0.000 0.000 0.305 2055 F C 0.148 175.943 175.800 -0.008 0.000 1.090 2055 F CA -0.828 56.994 58.000 -0.296 0.000 1.272 2055 F CB 0.127 38.895 39.000 -0.387 0.000 1.060 2055 F HN 0.369 nan 8.300 nan 0.000 0.576 2056 A N 0.517 123.115 122.820 -0.369 0.000 2.599 2056 A HA 0.516 4.836 4.320 0.000 0.000 0.290 2056 A C -1.273 176.152 177.584 -0.266 0.000 1.101 2056 A CA -1.137 50.772 52.037 -0.214 0.000 0.674 2056 A CB 0.849 19.692 19.000 -0.262 0.000 1.277 2056 A HN 0.173 nan 8.150 nan 0.000 0.419 2057 K N 0.630 120.937 120.400 -0.155 0.000 2.298 2057 K HA 0.426 4.746 4.320 0.000 0.000 0.280 2057 K C -2.457 174.030 176.600 -0.188 0.000 1.032 2057 K CA -1.522 54.678 56.287 -0.145 0.000 0.958 2057 K CB 0.374 32.824 32.500 -0.083 0.000 0.978 2057 K HN 0.310 nan 8.250 nan 0.000 0.472 2058 P HA -0.031 nan 4.420 nan 0.000 0.260 2058 P C -2.401 174.816 177.300 -0.138 0.000 1.185 2058 P CA -0.768 62.227 63.100 -0.176 0.000 0.763 2058 P CB 0.217 31.844 31.700 -0.122 0.000 0.776 2059 P HA 0.052 nan 4.420 nan 0.000 0.231 2059 P C -0.640 176.582 177.300 -0.129 0.000 1.756 2059 P CA 0.451 63.471 63.100 -0.133 0.000 0.990 2059 P CB -0.003 31.620 31.700 -0.128 0.000 1.973 2060 L N -0.143 121.014 121.223 -0.110 0.000 2.358 2060 L HA 0.609 4.949 4.340 0.000 0.000 0.268 2060 L C 1.661 178.473 176.870 -0.097 0.000 1.032 2060 L CA -0.334 54.449 54.840 -0.095 0.000 0.805 2060 L CB 0.608 42.623 42.059 -0.073 0.000 1.253 2060 L HN 0.296 nan 8.230 nan 0.000 0.452 2061 G N 1.430 110.176 108.800 -0.090 0.000 2.629 2061 G HA2 -0.289 3.671 3.960 0.000 0.000 0.313 2061 G HA3 -0.289 3.671 3.960 0.000 0.000 0.313 2061 G C -1.305 173.534 174.900 -0.101 0.000 1.217 2061 G CA 0.328 45.378 45.100 -0.082 0.000 0.994 2061 G HN 0.620 nan 8.290 nan 0.000 0.549 2062 P HA 0.045 nan 4.420 nan 0.000 0.225 2062 P C 1.967 179.211 177.300 -0.093 0.000 1.148 2062 P CA 1.287 64.353 63.100 -0.056 0.000 0.779 2062 P CB -0.097 31.590 31.700 -0.022 0.000 0.780 2063 L N -1.069 120.084 121.223 -0.117 0.000 2.552 2063 L HA 0.069 4.410 4.340 0.000 0.000 0.227 2063 L C 1.799 178.523 176.870 -0.244 0.000 1.146 2063 L CA -0.058 54.694 54.840 -0.147 0.000 0.858 2063 L CB -0.475 41.514 42.059 -0.117 0.000 0.969 2063 L HN -0.059 nan 8.230 nan 0.000 0.451 2064 R N 0.607 120.923 120.500 -0.306 0.000 2.537 2064 R HA -0.012 4.328 4.340 0.000 0.000 0.280 2064 R C -0.190 175.733 176.300 -0.629 0.000 1.058 2064 R CA -0.181 55.588 56.100 -0.551 0.000 1.057 2064 R CB 0.254 30.124 30.300 -0.716 0.000 0.973 2064 R HN 0.048 nan 8.270 nan 0.000 0.438 2065 F N 0.073 119.654 119.950 -0.615 0.000 3.080 2065 F HA -0.266 4.261 4.527 0.001 0.000 0.292 2065 F C 0.084 174.870 175.800 -1.690 0.000 0.891 2065 F CA 1.377 58.645 58.000 -1.220 0.000 1.086 2065 F CB -2.667 36.084 39.000 -0.415 0.000 1.095 2065 F HN 0.660 nan 8.300 nan 0.000 0.633 2066 T N -3.677 110.182 114.554 -1.158 0.000 2.864 2066 T HA 0.792 5.143 4.350 0.000 0.000 0.299 2066 T C -2.996 171.553 174.700 -0.251 0.000 1.166 2066 T CA -2.433 59.258 62.100 -0.680 0.000 1.007 2066 T CB 3.350 72.067 68.868 -0.252 0.000 1.219 2066 T HN -0.247 nan 8.240 nan 0.000 0.506 2067 P HA 0.264 nan 4.420 nan 0.000 0.269 2067 P C -2.354 175.017 177.300 0.119 0.000 1.215 2067 P CA -0.940 62.306 63.100 0.244 0.000 0.780 2067 P CB -0.289 31.554 31.700 0.238 0.000 0.898 2068 P HA 0.073 nan 4.420 nan 0.000 0.271 2068 P C -0.791 176.561 177.300 0.086 0.000 1.216 2068 P CA 0.133 63.288 63.100 0.091 0.000 0.776 2068 P CB 0.857 32.644 31.700 0.147 0.000 0.881 2069 Q N 2.561 122.386 119.800 0.042 0.000 2.241 2069 Q HA 0.473 4.813 4.340 0.000 0.000 0.262 2069 Q C -2.313 173.721 176.000 0.057 0.000 1.014 2069 Q CA -2.191 53.640 55.803 0.047 0.000 0.885 2069 Q CB 0.440 29.187 28.738 0.015 0.000 1.311 2069 Q HN 0.354 nan 8.270 nan 0.000 0.461 2070 P HA -0.006 nan 4.420 nan 0.000 0.269 2070 P C -1.219 176.086 177.300 0.009 0.000 1.215 2070 P CA 0.131 63.295 63.100 0.108 0.000 0.780 2070 P CB 0.441 32.215 31.700 0.123 0.000 0.898 2071 A N 2.435 125.258 122.820 0.005 0.000 2.388 2071 A HA 0.180 4.500 4.320 0.000 0.000 0.257 2071 A C 0.342 177.762 177.584 -0.273 0.000 1.095 2071 A CA -0.309 51.682 52.037 -0.077 0.000 0.791 2071 A CB -0.109 18.936 19.000 0.074 0.000 1.029 2071 A HN 0.439 nan 8.150 nan 0.000 0.489 2072 E N 2.579 122.706 120.200 -0.121 0.000 2.373 2072 E HA 0.248 4.599 4.350 0.000 0.000 0.267 2072 E C -2.090 174.467 176.600 -0.073 0.000 1.032 2072 E CA -1.526 54.806 56.400 -0.112 0.000 0.889 2072 E CB 0.186 29.878 29.700 -0.014 0.000 0.984 2072 E HN 0.508 nan 8.360 nan 0.000 0.425 2073 P HA 0.144 nan 4.420 nan 0.000 0.272 2073 P C -0.774 176.549 177.300 0.038 0.000 1.230 2073 P CA -0.266 62.735 63.100 -0.164 0.000 0.788 2073 P CB 0.356 31.968 31.700 -0.146 0.000 0.949 2074 W N -0.160 121.152 121.300 0.020 0.000 2.882 2074 W HA 0.665 5.325 4.660 0.000 0.000 0.345 2074 W C -1.071 175.403 176.519 -0.074 0.000 1.125 2074 W CA -0.864 56.475 57.345 -0.010 0.000 1.167 2074 W CB 0.233 29.716 29.460 0.040 0.000 1.431 2074 W HN 0.135 nan 8.180 nan 0.000 0.543 2075 S N 1.676 117.402 115.700 0.043 0.000 2.672 2075 S HA 0.705 5.175 4.470 0.000 0.000 0.276 2075 S C -0.257 174.222 174.600 -0.201 0.000 1.207 2075 S CA -0.271 57.701 58.200 -0.380 0.000 1.002 2075 S CB 0.355 63.002 63.200 -0.921 0.000 0.998 2075 S HN 0.632 nan 8.310 nan 0.000 0.542 2076 F N -1.404 118.646 119.950 0.167 0.000 2.183 2076 F HA -0.264 4.264 4.527 0.000 0.000 0.318 2076 F C -0.133 175.813 175.800 0.243 0.000 0.129 2076 F CA -0.066 58.031 58.000 0.161 0.000 0.912 2076 F CB -1.106 37.969 39.000 0.125 0.000 4.135 2076 F HN 0.332 nan 8.300 nan 0.000 0.137 2077 V N 0.732 120.903 119.914 0.429 0.000 2.384 2077 V HA 0.344 4.464 4.120 0.000 0.000 0.287 2077 V C -0.047 176.175 176.094 0.214 0.000 1.020 2077 V CA -0.882 61.607 62.300 0.317 0.000 0.850 2077 V CB 1.427 33.376 31.823 0.210 0.000 0.987 2077 V HN 0.492 nan 8.190 nan 0.000 0.436 2078 K N 4.053 124.545 120.400 0.154 0.000 2.234 2078 K HA 0.215 4.535 4.320 0.000 0.000 0.282 2078 K C 0.083 176.668 176.600 -0.024 0.000 1.039 2078 K CA -0.486 55.732 56.287 -0.116 0.000 0.928 2078 K CB 0.554 32.692 32.500 -0.603 0.000 1.039 2078 K HN 0.688 nan 8.250 nan 0.000 0.470 2079 N N 3.126 121.795 118.700 -0.052 0.000 2.420 2079 N HA 0.083 4.823 4.740 0.000 0.000 0.262 2079 N C -1.253 174.219 175.510 -0.064 0.000 1.144 2079 N CA 0.017 53.042 53.050 -0.041 0.000 0.952 2079 N CB 1.150 39.603 38.487 -0.057 0.000 1.081 2079 N HN 0.619 nan 8.380 nan 0.000 0.480 2080 A N 2.980 125.785 122.820 -0.026 0.000 3.215 2080 A HA 0.246 4.566 4.320 0.000 0.000 0.320 2080 A C 0.800 178.310 177.584 -0.124 0.000 1.084 2080 A CA -0.490 51.528 52.037 -0.033 0.000 0.969 2080 A CB -0.499 18.579 19.000 0.130 0.000 1.064 2080 A HN 0.665 nan 8.150 nan 0.000 0.513 2081 T N -2.870 111.582 114.554 -0.170 0.000 3.091 2081 T HA 0.312 4.663 4.350 0.000 0.000 0.277 2081 T C 0.492 175.022 174.700 -0.283 0.000 0.996 2081 T CA 0.477 62.437 62.100 -0.233 0.000 0.897 2081 T CB -0.388 68.369 68.868 -0.186 0.000 1.109 2081 T HN 0.730 nan 8.240 nan 0.000 0.534 2082 S N 0.542 116.080 115.700 -0.269 0.000 2.513 2082 S HA 0.698 5.168 4.470 0.000 0.000 0.299 2082 S C -0.920 173.497 174.600 -0.305 0.000 1.087 2082 S CA -0.900 57.140 58.200 -0.267 0.000 1.012 2082 S CB 0.782 63.891 63.200 -0.153 0.000 1.044 2082 S HN 0.212 nan 8.310 nan 0.000 0.485 2083 Y N 2.963 123.198 120.300 -0.109 0.000 2.511 2083 Y HA 0.302 4.852 4.550 0.000 0.000 0.332 2083 Y C -1.362 174.426 175.900 -0.186 0.000 1.177 2083 Y CA -1.035 56.996 58.100 -0.116 0.000 1.422 2083 Y CB 0.147 38.558 38.460 -0.082 0.000 1.271 2083 Y HN 0.551 nan 8.280 nan 0.000 0.550 2084 P HA 0.240 nan 4.420 nan 0.000 0.276 2084 P C -2.705 174.484 177.300 -0.186 0.000 1.261 2084 P CA -1.703 61.198 63.100 -0.332 0.000 0.800 2084 P CB 0.752 32.131 31.700 -0.535 0.000 1.066 2085 P HA 0.237 nan 4.420 nan 0.000 0.274 2085 P C -0.175 177.069 177.300 -0.093 0.000 1.246 2085 P CA -0.141 62.880 63.100 -0.132 0.000 0.795 2085 P CB 0.215 31.838 31.700 -0.129 0.000 1.006 2086 M N -0.488 119.052 119.600 -0.099 0.000 2.423 2086 M HA 0.483 4.963 4.480 0.000 0.000 0.335 2086 M C -0.741 175.481 176.300 -0.130 0.000 1.177 2086 M CA -0.694 54.547 55.300 -0.098 0.000 1.038 2086 M CB 0.728 33.255 32.600 -0.121 0.000 1.641 2086 M HN 0.112 nan 8.290 nan 0.000 0.455 2087 c N 1.904 120.424 118.600 -0.133 0.000 2.641 2087 c HA 0.097 4.667 4.570 0.000 0.000 0.412 2087 c C 0.974 174.887 174.090 -0.294 0.000 1.312 2087 c CA -0.104 56.096 56.329 -0.214 0.000 1.838 2087 c CB -0.451 41.954 42.510 -0.175 0.000 2.682 2087 c HN 0.871 nan 8.230 nan 0.000 0.627 2088 T N 4.264 118.500 114.554 -0.531 0.000 2.905 2088 T HA 0.305 4.655 4.350 0.000 0.000 0.299 2088 T C -0.010 174.461 174.700 -0.381 0.000 1.024 2088 T CA 0.423 62.147 62.100 -0.625 0.000 1.151 2088 T CB -0.158 67.917 68.868 -1.322 0.000 0.987 2088 T HN 0.881 nan 8.240 nan 0.000 0.535 2089 Q N 0.976 120.691 119.800 -0.142 0.000 2.756 2089 Q HA 0.315 4.655 4.340 0.000 0.000 0.295 2089 Q C -1.630 174.400 176.000 0.050 0.000 0.903 2089 Q CA -1.187 54.634 55.803 0.031 0.000 0.768 2089 Q CB 0.886 29.630 28.738 0.010 0.000 1.472 2089 Q HN 0.390 nan 8.270 nan 0.000 0.416 2090 D N 1.248 121.704 120.400 0.093 0.000 2.502 2090 D HA 0.041 4.681 4.640 0.000 0.000 0.249 2090 D C -1.587 174.725 176.300 0.020 0.000 1.188 2090 D CA -1.042 52.999 54.000 0.069 0.000 0.890 2090 D CB 1.142 41.988 40.800 0.077 0.000 1.140 2090 D HN 0.268 nan 8.370 nan 0.000 0.505 2091 P HA -0.114 nan 4.420 nan 0.000 0.216 2091 P C 1.060 178.346 177.300 -0.024 0.000 1.153 2091 P CA 1.353 64.441 63.100 -0.020 0.000 0.848 2091 P CB 0.304 31.992 31.700 -0.020 0.000 0.787 2092 K N -0.364 120.028 120.400 -0.013 0.000 2.031 2092 K HA 0.004 4.324 4.320 0.000 0.000 0.205 2092 K C 2.234 178.819 176.600 -0.025 0.000 1.049 2092 K CA 1.408 57.684 56.287 -0.018 0.000 0.939 2092 K CB -0.747 31.747 32.500 -0.010 0.000 0.717 2092 K HN 0.010 nan 8.250 nan 0.000 0.438 2093 A N 1.510 124.321 122.820 -0.015 0.000 1.902 2093 A HA -0.101 4.219 4.320 0.000 0.000 0.217 2093 A C 2.453 180.012 177.584 -0.043 0.000 1.181 2093 A CA 1.974 53.997 52.037 -0.023 0.000 0.623 2093 A CB -1.287 17.716 19.000 0.005 0.000 0.818 2093 A HN 0.427 nan 8.150 nan 0.000 0.443 2094 G N -0.951 107.826 108.800 -0.038 0.000 2.418 2094 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 2094 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 2094 G C 1.641 176.489 174.900 -0.087 0.000 1.158 2094 G CA 1.160 46.223 45.100 -0.061 0.000 0.771 2094 G HN 0.635 nan 8.290 nan 0.000 0.545 2095 Q N -0.607 119.148 119.800 -0.075 0.000 2.119 2095 Q HA -0.008 4.332 4.340 0.000 0.000 0.201 2095 Q C 2.380 178.331 176.000 -0.083 0.000 0.972 2095 Q CA 0.980 56.734 55.803 -0.082 0.000 0.847 2095 Q CB -0.217 28.482 28.738 -0.065 0.000 0.903 2095 Q HN 0.386 nan 8.270 nan 0.000 0.433 2096 L N 0.363 121.542 121.223 -0.073 0.000 1.994 2096 L HA -0.143 4.197 4.340 0.000 0.000 0.208 2096 L C 2.098 178.897 176.870 -0.118 0.000 1.071 2096 L CA 1.586 56.383 54.840 -0.073 0.000 0.745 2096 L CB -0.841 41.180 42.059 -0.063 0.000 0.892 2096 L HN 0.417 nan 8.230 nan 0.000 0.431 2097 L N -1.014 120.111 121.223 -0.162 0.000 2.042 2097 L HA -0.188 4.152 4.340 0.000 0.000 0.210 2097 L C 2.693 179.404 176.870 -0.265 0.000 1.076 2097 L CA 2.131 56.798 54.840 -0.287 0.000 0.749 2097 L CB -1.006 40.900 42.059 -0.256 0.000 0.893 2097 L HN 0.472 nan 8.230 nan 0.000 0.432 2098 S N -0.665 114.927 115.700 -0.179 0.000 2.359 2098 S HA -0.241 4.230 4.470 0.000 0.000 0.224 2098 S C 2.152 176.666 174.600 -0.143 0.000 1.035 2098 S CA 1.662 59.753 58.200 -0.182 0.000 1.018 2098 S CB -0.376 62.716 63.200 -0.181 0.000 0.876 2098 S HN 0.680 nan 8.310 nan 0.000 0.448 2099 E N 0.831 120.973 120.200 -0.098 0.000 2.150 2099 E HA 0.005 4.355 4.350 0.000 0.000 0.193 2099 E C 2.013 178.634 176.600 0.035 0.000 0.985 2099 E CA 1.359 57.735 56.400 -0.040 0.000 0.814 2099 E CB -0.916 28.769 29.700 -0.025 0.000 0.752 2099 E HN 0.709 nan 8.360 nan 0.000 0.466 2100 L N -1.387 119.850 121.223 0.023 0.000 2.156 2100 L HA 0.055 4.395 4.340 0.000 0.000 0.208 2100 L C 2.122 179.236 176.870 0.407 0.000 1.095 2100 L CA 0.804 55.736 54.840 0.155 0.000 0.770 2100 L CB 0.033 42.099 42.059 0.012 0.000 0.914 2100 L HN 0.263 nan 8.230 nan 0.000 0.439 2101 F N -1.072 118.863 119.950 -0.026 0.000 2.717 2101 F HA 0.143 4.670 4.527 0.000 0.000 0.295 2101 F C 1.592 177.120 175.800 -0.454 0.000 1.117 2101 F CA -0.416 57.453 58.000 -0.219 0.000 1.361 2101 F CB -0.679 38.206 39.000 -0.191 0.000 1.112 2101 F HN -0.178 nan 8.300 nan 0.000 0.594 2102 T N 2.238 116.685 114.554 -0.179 0.000 2.940 2102 T HA -0.036 4.314 4.350 0.000 0.000 0.309 2102 T C 1.318 175.891 174.700 -0.211 0.000 1.056 2102 T CA 0.014 61.916 62.100 -0.330 0.000 1.137 2102 T CB 0.317 69.032 68.868 -0.254 0.000 0.976 2102 T HN 0.344 nan 8.240 nan 0.000 0.547 2103 N N 4.044 122.561 118.700 -0.304 0.000 2.236 2103 N HA 0.011 4.751 4.740 0.000 0.000 0.196 2103 N C 0.418 175.829 175.510 -0.165 0.000 1.114 2103 N CA -0.306 52.618 53.050 -0.210 0.000 0.859 2103 N CB 0.023 38.375 38.487 -0.225 0.000 0.982 2103 N HN 0.688 nan 8.380 nan 0.000 0.493 2104 R N 0.240 120.651 120.500 -0.149 0.000 2.528 2104 R HA 0.309 4.649 4.340 0.000 0.000 0.271 2104 R C 0.951 177.212 176.300 -0.066 0.000 1.056 2104 R CA -0.789 55.255 56.100 -0.093 0.000 1.117 2104 R CB 1.488 31.734 30.300 -0.090 0.000 1.085 2104 R HN -0.180 nan 8.270 nan 0.000 0.530 2105 K N 0.283 120.665 120.400 -0.031 0.000 2.044 2105 K HA -0.214 4.106 4.320 0.000 0.000 0.210 2105 K C 0.024 176.618 176.600 -0.010 0.000 1.049 2105 K CA 1.861 58.143 56.287 -0.008 0.000 0.927 2105 K CB 0.127 32.635 32.500 0.013 0.000 0.713 2105 K HN 0.707 nan 8.250 nan 0.000 0.443 2106 E N 0.508 120.694 120.200 -0.024 0.000 2.234 2106 E HA 0.103 4.453 4.350 0.000 0.000 0.266 2106 E C -1.548 175.011 176.600 -0.067 0.000 0.877 2106 E CA -0.798 55.583 56.400 -0.032 0.000 0.758 2106 E CB 1.200 30.888 29.700 -0.021 0.000 1.170 2106 E HN 0.093 nan 8.360 nan 0.000 0.415 2107 N N 2.820 121.476 118.700 -0.073 0.000 2.497 2107 N HA 0.095 4.836 4.740 0.000 0.000 0.268 2107 N C -0.502 174.932 175.510 -0.127 0.000 1.171 2107 N CA -0.217 52.763 53.050 -0.116 0.000 0.948 2107 N CB 0.702 39.130 38.487 -0.098 0.000 1.069 2107 N HN 0.368 nan 8.380 nan 0.000 0.460 2108 I N 1.525 121.980 120.570 -0.192 0.000 2.331 2108 I HA 0.610 4.780 4.170 0.000 0.000 0.292 2108 I C -2.093 173.918 176.117 -0.177 0.000 0.998 2108 I CA -2.304 58.879 61.300 -0.196 0.000 1.267 2108 I CB 0.468 38.269 38.000 -0.332 0.000 1.386 2108 I HN 0.560 nan 8.210 nan 0.000 0.476 2109 P HA 0.393 nan 4.420 nan 0.000 0.271 2109 P C -0.818 176.418 177.300 -0.107 0.000 1.216 2109 P CA -0.179 62.860 63.100 -0.100 0.000 0.776 2109 P CB 1.155 32.814 31.700 -0.069 0.000 0.881 2110 L N 1.546 122.705 121.223 -0.107 0.000 2.341 2110 L HA 0.437 4.777 4.340 0.000 0.000 0.267 2110 L C 0.680 177.498 176.870 -0.086 0.000 1.009 2110 L CA -1.136 53.644 54.840 -0.101 0.000 0.819 2110 L CB 2.128 44.114 42.059 -0.121 0.000 1.323 2110 L HN 0.149 nan 8.230 nan 0.000 0.425 2111 K N 1.693 122.043 120.400 -0.082 0.000 2.098 2111 K HA 0.626 4.947 4.320 0.000 0.000 0.261 2111 K C -0.378 176.163 176.600 -0.098 0.000 0.987 2111 K CA -0.665 55.573 56.287 -0.082 0.000 0.916 2111 K CB 1.597 34.050 32.500 -0.077 0.000 1.039 2111 K HN 0.404 nan 8.250 nan 0.000 0.455 2112 L N 1.089 122.252 121.223 -0.100 0.000 2.357 2112 L HA 0.625 4.965 4.340 0.000 0.000 0.273 2112 L C 0.420 177.204 176.870 -0.143 0.000 1.080 2112 L CA -0.255 54.507 54.840 -0.130 0.000 0.803 2112 L CB 1.662 43.646 42.059 -0.126 0.000 1.174 2112 L HN 0.720 nan 8.230 nan 0.000 0.443 2113 S N 0.326 115.912 115.700 -0.189 0.000 2.580 2113 S HA 0.162 4.632 4.470 0.000 0.000 0.281 2113 S C 0.053 174.498 174.600 -0.259 0.000 1.129 2113 S CA -0.623 57.465 58.200 -0.185 0.000 0.862 2113 S CB 1.430 64.559 63.200 -0.118 0.000 1.090 2113 S HN 0.753 nan 8.310 nan 0.000 0.451 2114 E N 1.018 121.056 120.200 -0.269 0.000 2.285 2114 E HA -0.044 4.306 4.350 0.000 0.000 0.194 2114 E C -0.272 176.216 176.600 -0.185 0.000 0.997 2114 E CA 0.456 56.663 56.400 -0.321 0.000 0.845 2114 E CB 0.110 29.667 29.700 -0.238 0.000 0.782 2114 E HN 0.522 nan 8.360 nan 0.000 0.491 2115 D N 0.473 120.808 120.400 -0.109 0.000 2.483 2115 D HA 0.002 4.642 4.640 0.000 0.000 0.220 2115 D C -0.014 176.343 176.300 0.094 0.000 1.173 2115 D CA -0.350 53.633 54.000 -0.028 0.000 0.964 2115 D CB 0.031 40.839 40.800 0.014 0.000 1.046 2115 D HN 0.148 nan 8.370 nan 0.000 0.517 2116 c N 2.565 121.183 118.600 0.029 0.000 3.626 2116 c HA 0.381 4.951 4.570 0.000 0.000 0.276 2116 c C 0.633 174.768 174.090 0.075 0.000 1.694 2116 c CA -0.705 55.711 56.329 0.143 0.000 1.785 2116 c CB -1.327 41.178 42.510 -0.007 0.000 3.152 2116 c HN 0.446 nan 8.230 nan 0.000 0.571 2117 L N 2.515 123.539 121.223 -0.331 0.000 2.384 2117 L HA 0.379 4.720 4.340 0.000 0.000 0.258 2117 L C -0.801 175.437 176.870 -1.054 0.000 1.266 2117 L CA 0.537 54.944 54.840 -0.721 0.000 1.162 2117 L CB -0.757 40.712 42.059 -0.984 0.000 1.375 2117 L HN 0.395 nan 8.230 nan 0.000 0.420 2118 Y N 1.824 122.040 120.300 -0.140 0.000 2.602 2118 Y HA 0.707 5.257 4.550 0.000 0.000 0.342 2118 Y C -0.153 175.899 175.900 0.255 0.000 1.029 2118 Y CA -1.294 56.814 58.100 0.014 0.000 1.080 2118 Y CB 1.946 40.382 38.460 -0.040 0.000 1.284 2118 Y HN 0.153 nan 8.280 nan 0.000 0.485 2119 L N -0.213 121.186 121.223 0.293 0.000 2.424 2119 L HA 0.743 5.083 4.340 0.000 0.000 0.258 2119 L C -1.434 175.487 176.870 0.084 0.000 0.995 2119 L CA -1.142 53.797 54.840 0.166 0.000 0.821 2119 L CB 1.753 43.813 42.059 0.002 0.000 1.383 2119 L HN 0.396 nan 8.230 nan 0.000 0.410 2120 N N 1.950 120.729 118.700 0.132 0.000 2.361 2120 N HA 0.737 5.478 4.740 0.000 0.000 0.302 2120 N C -1.143 174.408 175.510 0.067 0.000 1.074 2120 N CA -0.239 52.857 53.050 0.076 0.000 0.850 2120 N CB 2.525 41.117 38.487 0.175 0.000 1.228 2120 N HN 0.686 nan 8.380 nan 0.000 0.491 2121 I N 1.756 122.277 120.570 -0.083 0.000 2.498 2121 I HA 0.320 4.490 4.170 0.000 0.000 0.290 2121 I C -1.187 174.878 176.117 -0.087 0.000 1.032 2121 I CA -0.779 60.520 61.300 -0.002 0.000 1.073 2121 I CB 1.302 39.208 38.000 -0.157 0.000 1.251 2121 I HN 0.320 nan 8.210 nan 0.000 0.426 2122 Y N 3.259 123.688 120.300 0.215 0.000 2.376 2122 Y HA 0.404 4.954 4.550 0.000 0.000 0.326 2122 Y C 0.287 176.319 175.900 0.220 0.000 0.970 2122 Y CA -0.800 57.430 58.100 0.216 0.000 1.248 2122 Y CB 1.955 40.519 38.460 0.174 0.000 1.117 2122 Y HN 0.368 nan 8.280 nan 0.000 0.476 2123 T N 5.172 119.948 114.554 0.371 0.000 2.809 2123 T HA 0.350 4.700 4.350 0.000 0.000 0.284 2123 T C -2.161 172.703 174.700 0.274 0.000 0.992 2123 T CA -2.308 59.985 62.100 0.322 0.000 0.957 2123 T CB 1.319 70.413 68.868 0.376 0.000 0.942 2123 T HN 0.368 nan 8.240 nan 0.000 0.439 2124 P HA 0.268 nan 4.420 nan 0.000 0.255 2124 P C 0.288 177.671 177.300 0.138 0.000 1.248 2124 P CA -0.150 63.033 63.100 0.138 0.000 0.807 2124 P CB 0.074 31.811 31.700 0.063 0.000 1.150 2125 A N 1.061 123.979 122.820 0.164 0.000 2.407 2125 A HA 0.153 4.473 4.320 0.000 0.000 0.248 2125 A C 0.016 177.691 177.584 0.153 0.000 1.082 2125 A CA -0.093 52.028 52.037 0.140 0.000 0.785 2125 A CB -0.361 18.724 19.000 0.141 0.000 1.020 2125 A HN -0.001 nan 8.150 nan 0.000 0.489 2126 D N 2.085 122.552 120.400 0.111 0.000 2.374 2126 D HA 0.230 4.870 4.640 0.000 0.000 0.240 2126 D C 0.794 177.162 176.300 0.114 0.000 1.229 2126 D CA -0.068 53.994 54.000 0.103 0.000 0.895 2126 D CB -0.016 40.819 40.800 0.059 0.000 1.046 2126 D HN 0.400 nan 8.370 nan 0.000 0.498 2127 L N 2.822 124.142 121.223 0.162 0.000 2.549 2127 L HA -0.075 4.265 4.340 0.000 0.000 0.230 2127 L C 2.018 178.941 176.870 0.088 0.000 1.162 2127 L CA 1.133 56.051 54.840 0.131 0.000 0.834 2127 L CB -0.714 41.449 42.059 0.173 0.000 0.947 2127 L HN 0.533 nan 8.230 nan 0.000 0.452 2128 T N -4.046 110.560 114.554 0.086 0.000 3.129 2128 T HA 0.140 4.491 4.350 0.000 0.000 0.251 2128 T C 0.579 175.303 174.700 0.039 0.000 1.117 2128 T CA -0.094 62.041 62.100 0.060 0.000 1.034 2128 T CB 0.080 68.983 68.868 0.059 0.000 0.968 2128 T HN 0.211 nan 8.240 nan 0.000 0.526 2129 K N 0.358 120.782 120.400 0.040 0.000 2.480 2129 K HA 0.496 4.816 4.320 0.000 0.000 0.258 2129 K C -1.054 175.562 176.600 0.025 0.000 0.990 2129 K CA -1.064 55.240 56.287 0.028 0.000 0.857 2129 K CB 2.268 34.785 32.500 0.029 0.000 1.384 2129 K HN -0.034 nan 8.250 nan 0.000 0.446 2130 K N 1.799 122.209 120.400 0.016 0.000 2.249 2130 K HA 0.175 4.495 4.320 0.000 0.000 0.280 2130 K C -0.821 175.792 176.600 0.021 0.000 1.033 2130 K CA -0.111 56.184 56.287 0.012 0.000 0.946 2130 K CB 0.475 32.977 32.500 0.003 0.000 1.005 2130 K HN 0.495 nan 8.250 nan 0.000 0.469 2131 N N 3.082 121.798 118.700 0.027 0.000 2.329 2131 N HA 0.342 5.082 4.740 0.000 0.000 0.282 2131 N C -1.152 174.377 175.510 0.033 0.000 1.198 2131 N CA -0.796 52.276 53.050 0.036 0.000 0.790 2131 N CB 1.783 40.305 38.487 0.058 0.000 1.579 2131 N HN 0.427 nan 8.380 nan 0.000 0.475 2132 R N 1.686 122.204 120.500 0.029 0.000 2.638 2132 R HA 0.362 4.702 4.340 0.000 0.000 0.261 2132 R C -0.491 175.824 176.300 0.025 0.000 1.515 2132 R CA -0.271 55.842 56.100 0.022 0.000 1.623 2132 R CB 0.197 30.498 30.300 0.002 0.000 1.347 2132 R HN 0.529 nan 8.270 nan 0.000 0.705 2133 L N 2.347 123.598 121.223 0.046 0.000 2.453 2133 L HA 0.377 4.717 4.340 0.000 0.000 0.261 2133 L C -1.616 175.282 176.870 0.046 0.000 1.179 2133 L CA -1.707 53.161 54.840 0.048 0.000 0.813 2133 L CB 0.320 42.421 42.059 0.070 0.000 1.110 2133 L HN -0.039 nan 8.230 nan 0.000 0.466 2134 P HA 0.071 nan 4.420 nan 0.000 0.272 2134 P C -0.947 176.392 177.300 0.065 0.000 1.223 2134 P CA -0.145 62.974 63.100 0.031 0.000 0.784 2134 P CB 1.078 32.784 31.700 0.010 0.000 0.923 2135 V N 4.135 124.099 119.914 0.083 0.000 2.448 2135 V HA 0.377 4.497 4.120 0.000 0.000 0.295 2135 V C 0.491 176.665 176.094 0.134 0.000 1.025 2135 V CA -0.381 61.994 62.300 0.125 0.000 0.859 2135 V CB 1.280 33.191 31.823 0.145 0.000 0.988 2135 V HN 0.485 nan 8.190 nan 0.000 0.431 2136 M N 4.948 124.647 119.600 0.164 0.000 2.078 2136 M HA 0.487 4.967 4.480 0.000 0.000 0.320 2136 M C -1.113 175.476 176.300 0.483 0.000 0.969 2136 M CA -0.589 54.828 55.300 0.196 0.000 0.929 2136 M CB 1.910 34.482 32.600 -0.048 0.000 1.504 2136 M HN 0.362 nan 8.290 nan 0.000 0.419 2137 V N 3.760 123.977 119.914 0.505 0.000 2.333 2137 V HA 0.277 4.397 4.120 0.000 0.000 0.274 2137 V C -0.561 175.809 176.094 0.460 0.000 1.028 2137 V CA -0.595 61.960 62.300 0.425 0.000 0.851 2137 V CB 1.036 32.987 31.823 0.214 0.000 1.000 2137 V HN 0.834 nan 8.190 nan 0.000 0.456 2138 W N 7.103 128.463 121.300 0.099 0.000 2.351 2138 W HA 0.606 5.267 4.660 0.001 0.000 0.311 2138 W C -1.214 175.179 176.519 -0.209 0.000 1.168 2138 W CA -0.775 56.344 57.345 -0.376 0.000 1.200 2138 W CB 1.196 30.400 29.460 -0.427 0.000 1.221 2138 W HN 0.426 nan 8.180 nan 0.000 0.519 2139 I N 6.925 126.857 120.570 -1.064 0.000 2.382 2139 I HA 0.049 4.219 4.170 0.000 0.000 0.285 2139 I C 0.234 175.619 176.117 -1.219 0.000 1.007 2139 I CA -0.911 59.895 61.300 -0.824 0.000 1.142 2139 I CB 1.094 38.735 38.000 -0.598 0.000 1.289 2139 I HN 0.456 nan 8.210 nan 0.000 0.453 2140 H N 4.253 122.949 119.070 -0.623 0.000 2.690 2140 H HA 0.597 5.153 4.556 0.000 0.000 0.365 2140 H C 0.368 175.682 175.328 -0.024 0.000 1.142 2140 H CA -0.419 55.443 56.048 -0.311 0.000 1.417 2140 H CB 0.602 30.471 29.762 0.179 0.000 1.446 2140 H HN 0.583 nan 8.280 nan 0.000 0.599 2141 G N -1.056 107.909 108.800 0.276 0.000 2.568 2141 G HA2 0.482 4.442 3.960 0.000 0.000 0.293 2141 G HA3 0.482 4.442 3.960 0.000 0.000 0.293 2141 G C 0.314 175.486 174.900 0.453 0.000 1.347 2141 G CA -1.013 44.267 45.100 0.299 0.000 1.039 2141 G HN 1.494 nan 8.290 nan 0.000 0.523 2142 G N -2.732 106.265 108.800 0.329 0.000 2.223 2142 G HA2 0.408 4.369 3.960 0.000 0.000 0.200 2142 G HA3 0.408 4.369 3.960 0.000 0.000 0.200 2142 G C 1.011 176.016 174.900 0.175 0.000 1.061 2142 G CA 0.682 45.931 45.100 0.248 0.000 0.790 2142 G HN 2.301 nan 8.290 nan 0.000 0.498 2143 G N -0.010 108.883 108.800 0.156 0.000 2.212 2143 G HA2 -0.202 3.758 3.960 0.000 0.000 0.267 2143 G HA3 -0.202 3.758 3.960 0.000 0.000 0.267 2143 G C 1.198 176.099 174.900 0.001 0.000 1.002 2143 G CA 0.822 45.965 45.100 0.071 0.000 0.729 2143 G HN 1.787 nan 8.290 nan 0.000 0.517 2144 L N -3.554 117.702 121.223 0.055 0.000 4.696 2144 L HA -0.284 4.056 4.340 0.000 0.000 0.425 2144 L C 2.014 178.954 176.870 0.117 0.000 1.115 2144 L CA 1.666 56.527 54.840 0.035 0.000 0.996 2144 L CB -1.435 40.352 42.059 -0.453 0.000 2.077 2144 L HN 0.449 nan 8.230 nan 0.000 0.792 2145 M N -1.399 118.265 119.600 0.107 0.000 2.638 2145 M HA 0.317 4.797 4.480 0.000 0.000 0.256 2145 M C 0.813 177.194 176.300 0.135 0.000 1.282 2145 M CA 1.169 56.543 55.300 0.123 0.000 1.155 2145 M CB 0.550 33.198 32.600 0.080 0.000 1.345 2145 M HN 0.232 nan 8.290 nan 0.000 0.523 2146 V N -2.760 117.226 119.914 0.120 0.000 3.165 2146 V HA 1.052 5.172 4.120 0.000 0.000 0.309 2146 V C -0.252 175.898 176.094 0.092 0.000 1.267 2146 V CA -0.237 62.108 62.300 0.075 0.000 1.067 2146 V CB 1.246 33.094 31.823 0.042 0.000 1.082 2146 V HN 0.512 nan 8.190 nan 0.000 0.451 2147 G N -0.907 107.870 108.800 -0.038 0.000 2.392 2147 G HA2 0.617 4.577 3.960 0.000 0.000 0.677 2147 G HA3 0.617 4.577 3.960 0.000 0.000 0.677 2147 G C -0.658 173.896 174.900 -0.578 0.000 1.334 2147 G CA -0.180 44.784 45.100 -0.228 0.000 0.961 2147 G HN 2.723 nan 8.290 nan 0.000 0.616 2148 A N -1.184 121.139 122.820 -0.828 0.000 2.605 2148 A HA 1.018 5.338 4.320 0.000 0.000 0.294 2148 A C 0.739 178.210 177.584 -0.189 0.000 1.062 2148 A CA 0.754 52.498 52.037 -0.490 0.000 0.682 2148 A CB 0.862 19.729 19.000 -0.223 0.000 1.278 2148 A HN 2.560 nan 8.150 nan 0.000 0.410 2149 A N 0.531 123.414 122.820 0.104 0.000 1.929 2149 A HA 0.096 4.417 4.320 0.000 0.000 0.216 2149 A C 2.013 179.773 177.584 0.294 0.000 1.176 2149 A CA 2.372 54.620 52.037 0.351 0.000 0.628 2149 A CB -0.749 18.463 19.000 0.353 0.000 0.816 2149 A HN 1.213 nan 8.150 nan 0.000 0.444 2150 S N -0.127 115.656 115.700 0.138 0.000 2.469 2150 S HA -0.114 4.357 4.470 0.000 0.000 0.238 2150 S C 1.792 176.300 174.600 -0.155 0.000 0.998 2150 S CA 1.497 59.725 58.200 0.047 0.000 0.957 2150 S CB -0.505 62.662 63.200 -0.055 0.000 0.764 2150 S HN 0.687 nan 8.310 nan 0.000 0.514 2151 T N 0.869 115.288 114.554 -0.225 0.000 2.881 2151 T HA -0.065 4.286 4.350 0.000 0.000 0.270 2151 T C -0.092 174.167 174.700 -0.734 0.000 1.068 2151 T CA 1.033 62.823 62.100 -0.517 0.000 1.131 2151 T CB -0.241 68.209 68.868 -0.696 0.000 0.871 2151 T HN 0.424 nan 8.240 nan 0.000 0.479 2152 Y N 1.529 121.647 120.300 -0.304 0.000 2.353 2152 Y HA 0.447 4.997 4.550 0.000 0.000 0.340 2152 Y C -0.006 175.633 175.900 -0.434 0.000 0.972 2152 Y CA -2.178 55.561 58.100 -0.601 0.000 1.157 2152 Y CB 0.523 38.323 38.460 -1.099 0.000 1.157 2152 Y HN -0.119 nan 8.280 nan 0.000 0.495 2153 D N 2.374 122.594 120.400 -0.300 0.000 2.316 2153 D HA 0.182 4.822 4.640 0.000 0.000 0.245 2153 D C 0.961 177.008 176.300 -0.422 0.000 1.171 2153 D CA -0.084 53.763 54.000 -0.255 0.000 0.856 2153 D CB 1.586 42.325 40.800 -0.102 0.000 1.090 2153 D HN 0.860 nan 8.370 nan 0.000 0.476 2154 G N 3.244 111.371 108.800 -1.122 0.000 2.985 2154 G HA2 -0.107 3.853 3.960 0.000 0.000 0.209 2154 G HA3 -0.107 3.853 3.960 0.000 0.000 0.209 2154 G C 1.347 176.001 174.900 -0.410 0.000 1.165 2154 G CA -0.067 44.584 45.100 -0.747 0.000 0.776 2154 G HN 0.499 nan 8.290 nan 0.000 0.541 2155 L N 1.640 122.691 121.223 -0.286 0.000 1.990 2155 L HA -0.066 4.274 4.340 0.000 0.000 0.213 2155 L C 2.901 179.763 176.870 -0.014 0.000 1.072 2155 L CA 2.639 57.494 54.840 0.025 0.000 0.755 2155 L CB -0.664 41.459 42.059 0.106 0.000 0.889 2155 L HN 0.195 nan 8.230 nan 0.000 0.432 2156 A N -0.927 121.883 122.820 -0.016 0.000 1.873 2156 A HA -0.170 4.150 4.320 0.000 0.000 0.215 2156 A C 2.240 179.775 177.584 -0.082 0.000 1.186 2156 A CA 1.824 53.850 52.037 -0.019 0.000 0.616 2156 A CB -1.053 17.950 19.000 0.005 0.000 0.823 2156 A HN 0.517 nan 8.150 nan 0.000 0.442 2157 L N -0.102 121.063 121.223 -0.097 0.000 2.017 2157 L HA -0.062 4.278 4.340 0.000 0.000 0.208 2157 L C 2.671 179.498 176.870 -0.073 0.000 1.073 2157 L CA 2.270 57.039 54.840 -0.118 0.000 0.745 2157 L CB -0.949 41.015 42.059 -0.158 0.000 0.894 2157 L HN 0.349 nan 8.230 nan 0.000 0.432 2158 A N -0.446 122.353 122.820 -0.035 0.000 1.883 2158 A HA -0.157 4.163 4.320 0.000 0.000 0.217 2158 A C 2.441 179.972 177.584 -0.088 0.000 1.186 2158 A CA 2.242 54.282 52.037 0.005 0.000 0.624 2158 A CB -1.262 17.801 19.000 0.105 0.000 0.822 2158 A HN 0.605 nan 8.150 nan 0.000 0.444 2159 A N -1.449 121.235 122.820 -0.226 0.000 1.872 2159 A HA -0.144 4.176 4.320 0.000 0.000 0.214 2159 A C 2.075 179.180 177.584 -0.799 0.000 1.187 2159 A CA 1.420 53.102 52.037 -0.590 0.000 0.614 2159 A CB -0.958 17.494 19.000 -0.912 0.000 0.826 2159 A HN 0.689 nan 8.150 nan 0.000 0.442 2160 H N -0.764 117.902 119.070 -0.673 0.000 2.387 2160 H HA -0.035 4.521 4.556 0.000 0.000 0.299 2160 H C 0.950 176.216 175.328 -0.103 0.000 1.090 2160 H CA 1.513 57.368 56.048 -0.321 0.000 1.332 2160 H CB 0.283 29.860 29.762 -0.309 0.000 1.386 2160 H HN 0.421 nan 8.280 nan 0.000 0.516 2161 E N 0.164 120.364 120.200 0.000 0.000 2.538 2161 E HA 0.002 4.353 4.350 0.000 0.000 0.207 2161 E C 0.026 176.635 176.600 0.015 0.000 1.002 2161 E CA -0.267 56.144 56.400 0.018 0.000 0.952 2161 E CB 0.079 29.785 29.700 0.010 0.000 1.031 2161 E HN 0.306 nan 8.360 nan 0.000 0.476 2162 N N 1.010 119.708 118.700 -0.003 0.000 2.714 2162 N HA -0.156 4.584 4.740 0.000 0.000 0.253 2162 N C -0.544 174.989 175.510 0.038 0.000 1.024 2162 N CA 0.881 53.943 53.050 0.020 0.000 0.726 2162 N CB -1.029 37.480 38.487 0.038 0.000 0.908 2162 N HN 0.075 nan 8.380 nan 0.000 0.542 2163 V N -2.881 117.058 119.914 0.041 0.000 2.914 2163 V HA 0.704 4.824 4.120 0.000 0.000 0.314 2163 V C 0.506 176.663 176.094 0.104 0.000 1.084 2163 V CA -0.915 61.422 62.300 0.061 0.000 0.963 2163 V CB 2.302 34.147 31.823 0.037 0.000 1.025 2163 V HN -0.110 nan 8.190 nan 0.000 0.432 2164 V N 3.860 123.853 119.914 0.132 0.000 2.455 2164 V HA 0.366 4.486 4.120 0.000 0.000 0.273 2164 V C 0.199 176.422 176.094 0.215 0.000 1.045 2164 V CA -0.123 62.289 62.300 0.187 0.000 0.976 2164 V CB 1.167 33.102 31.823 0.187 0.000 0.993 2164 V HN 0.748 nan 8.190 nan 0.000 0.475 2165 V N 6.160 126.242 119.914 0.281 0.000 2.435 2165 V HA 0.483 4.603 4.120 0.000 0.000 0.290 2165 V C -0.143 176.204 176.094 0.422 0.000 1.030 2165 V CA -0.509 61.998 62.300 0.346 0.000 0.881 2165 V CB 1.833 33.839 31.823 0.305 0.000 0.983 2165 V HN 0.591 nan 8.190 nan 0.000 0.445 2166 V N 3.970 124.122 119.914 0.397 0.000 2.444 2166 V HA 0.509 4.630 4.120 0.000 0.000 0.294 2166 V C 0.159 176.474 176.094 0.368 0.000 1.022 2166 V CA -0.507 61.994 62.300 0.336 0.000 0.850 2166 V CB 2.135 34.097 31.823 0.232 0.000 0.992 2166 V HN 1.004 nan 8.190 nan 0.000 0.426 2167 T N 3.657 118.437 114.554 0.377 0.000 2.771 2167 T HA 0.823 5.174 4.350 0.000 0.000 0.281 2167 T C -0.413 174.461 174.700 0.289 0.000 0.982 2167 T CA -0.507 61.824 62.100 0.384 0.000 0.978 2167 T CB 1.387 70.517 68.868 0.436 0.000 0.930 2167 T HN 0.656 nan 8.240 nan 0.000 0.447 2168 I N 0.028 120.747 120.570 0.248 0.000 2.797 2168 I HA 0.676 4.846 4.170 0.000 0.000 0.307 2168 I C -0.609 175.720 176.117 0.352 0.000 1.033 2168 I CA -1.288 60.140 61.300 0.213 0.000 1.071 2168 I CB 2.046 40.058 38.000 0.020 0.000 1.255 2168 I HN 0.553 nan 8.210 nan 0.000 0.445 2169 Q N 2.127 122.181 119.800 0.424 0.000 2.359 2169 Q HA 0.607 4.947 4.340 0.000 0.000 0.275 2169 Q C -1.890 174.400 176.000 0.483 0.000 1.082 2169 Q CA -0.835 55.209 55.803 0.401 0.000 0.849 2169 Q CB 2.796 31.710 28.738 0.294 0.000 1.377 2169 Q HN 0.732 nan 8.270 nan 0.000 0.452 2170 Y N -2.853 117.595 120.300 0.247 0.000 2.592 2170 Y HA 0.497 5.047 4.550 0.000 0.000 0.334 2170 Y C -0.989 174.997 175.900 0.144 0.000 1.136 2170 Y CA -1.421 56.794 58.100 0.191 0.000 1.042 2170 Y CB 0.736 39.263 38.460 0.112 0.000 1.325 2170 Y HN 0.417 nan 8.280 nan 0.000 0.457 2171 R N 2.214 122.818 120.500 0.173 0.000 2.583 2171 R HA 0.357 4.697 4.340 0.000 0.000 0.274 2171 R C -0.862 175.535 176.300 0.161 0.000 0.998 2171 R CA 0.244 56.406 56.100 0.102 0.000 1.081 2171 R CB 0.199 30.578 30.300 0.131 0.000 0.940 2171 R HN 0.687 nan 8.270 nan 0.000 0.413 2172 L N 1.332 122.671 121.223 0.193 0.000 2.303 2172 L HA 0.511 4.851 4.340 0.000 0.000 0.266 2172 L C 1.271 178.438 176.870 0.496 0.000 1.011 2172 L CA -0.537 54.510 54.840 0.345 0.000 0.818 2172 L CB 1.572 43.734 42.059 0.171 0.000 1.326 2172 L HN 0.895 nan 8.230 nan 0.000 0.435 2173 G N 0.592 109.684 108.800 0.487 0.000 2.614 2173 G HA2 -0.339 3.622 3.960 0.000 0.000 0.303 2173 G HA3 -0.339 3.622 3.960 0.000 0.000 0.303 2173 G C 0.839 176.001 174.900 0.437 0.000 1.270 2173 G CA 0.639 45.975 45.100 0.393 0.000 0.988 2173 G HN 0.658 nan 8.290 nan 0.000 0.551 2174 I N -0.431 120.329 120.570 0.317 0.000 2.151 2174 I HA -0.212 3.958 4.170 0.000 0.000 0.243 2174 I C 2.828 179.180 176.117 0.392 0.000 1.080 2174 I CA 2.432 63.860 61.300 0.213 0.000 1.339 2174 I CB -0.343 37.552 38.000 -0.175 0.000 1.039 2174 I HN 0.561 nan 8.210 nan 0.000 0.409 2175 W N 0.602 122.093 121.300 0.319 0.000 2.342 2175 W HA -0.096 4.565 4.660 0.001 0.000 0.297 2175 W C 2.360 179.033 176.519 0.257 0.000 1.213 2175 W CA 1.187 58.653 57.345 0.201 0.000 1.251 2175 W CB -0.818 28.653 29.460 0.018 0.000 1.136 2175 W HN 0.250 nan 8.180 nan 0.000 0.526 2176 G N -2.083 106.968 108.800 0.419 0.000 2.796 2176 G HA2 0.020 3.980 3.960 0.000 0.000 0.210 2176 G HA3 0.020 3.980 3.960 0.000 0.000 0.210 2176 G C 0.664 175.174 174.900 -0.649 0.000 1.146 2176 G CA 0.143 45.204 45.100 -0.065 0.000 0.779 2176 G HN 0.136 nan 8.290 nan 0.000 0.535 2177 F N -0.911 119.261 119.950 0.370 0.000 2.880 2177 F HA 0.412 4.939 4.527 0.000 0.000 0.328 2177 F C 0.158 176.038 175.800 0.132 0.000 1.146 2177 F CA -1.714 56.363 58.000 0.128 0.000 1.135 2177 F CB 0.199 39.205 39.000 0.010 0.000 1.151 2177 F HN -0.015 nan 8.300 nan 0.000 0.523 2178 F N 2.079 122.193 119.950 0.274 0.000 2.578 2178 F HA 0.343 4.870 4.527 0.000 0.000 0.381 2178 F C 0.502 176.336 175.800 0.057 0.000 1.069 2178 F CA 0.422 58.472 58.000 0.083 0.000 1.231 2178 F CB 0.458 39.342 39.000 -0.193 0.000 1.086 2178 F HN -0.075 nan 8.300 nan 0.000 0.564 2179 S N 3.564 118.801 115.700 -0.772 0.000 2.571 2179 S HA 0.322 4.793 4.470 0.000 0.000 0.284 2179 S C 0.397 174.576 174.600 -0.702 0.000 1.128 2179 S CA -0.101 57.756 58.200 -0.572 0.000 0.970 2179 S CB 1.405 64.421 63.200 -0.307 0.000 1.039 2179 S HN 0.807 nan 8.310 nan 0.000 0.485 2180 T N 0.812 115.106 114.554 -0.434 0.000 3.086 2180 T HA 0.371 4.722 4.350 0.000 0.000 0.250 2180 T C 1.457 176.076 174.700 -0.135 0.000 1.074 2180 T CA 0.588 62.534 62.100 -0.257 0.000 0.988 2180 T CB -0.077 68.756 68.868 -0.058 0.000 0.988 2180 T HN 1.732 nan 8.240 nan 0.000 0.530 2181 G N 2.171 110.886 108.800 -0.141 0.000 2.159 2181 G HA2 -0.186 3.774 3.960 0.000 0.000 0.256 2181 G HA3 -0.186 3.774 3.960 0.000 0.000 0.256 2181 G C -0.276 174.589 174.900 -0.058 0.000 0.977 2181 G CA 0.389 45.432 45.100 -0.095 0.000 0.652 2181 G HN 0.961 nan 8.290 nan 0.000 0.531 2182 D N -2.242 118.134 120.400 -0.040 0.000 2.812 2182 D HA 0.438 5.078 4.640 0.000 0.000 0.318 2182 D C 1.286 177.554 176.300 -0.054 0.000 1.234 2182 D CA -0.021 53.957 54.000 -0.038 0.000 0.989 2182 D CB -0.311 40.486 40.800 -0.006 0.000 1.442 2182 D HN 0.107 nan 8.370 nan 0.000 0.537 2183 E N -0.240 119.875 120.200 -0.143 0.000 2.333 2183 E HA -0.240 4.110 4.350 0.000 0.000 0.198 2183 E C 0.827 177.338 176.600 -0.149 0.000 1.007 2183 E CA 1.225 57.526 56.400 -0.166 0.000 0.845 2183 E CB -0.584 28.979 29.700 -0.228 0.000 0.766 2183 E HN 0.531 nan 8.360 nan 0.000 0.507 2184 H N 0.371 119.499 119.070 0.096 0.000 2.495 2184 H HA 0.155 4.711 4.556 0.001 0.000 0.287 2184 H C 0.400 175.844 175.328 0.194 0.000 1.033 2184 H CA 1.134 57.256 56.048 0.123 0.000 1.307 2184 H CB 0.456 30.275 29.762 0.096 0.000 1.401 2184 H HN 0.110 nan 8.280 nan 0.000 0.555 2185 S N -0.188 115.685 115.700 0.288 0.000 2.769 2185 S HA 0.193 4.663 4.470 0.000 0.000 0.150 2185 S C 0.816 175.550 174.600 0.222 0.000 1.034 2185 S CA -0.591 57.869 58.200 0.433 0.000 1.096 2185 S CB 0.245 63.655 63.200 0.349 0.000 1.567 2185 S HN 0.160 nan 8.310 nan 0.000 0.435 2186 R N 1.573 122.165 120.500 0.153 0.000 2.103 2186 R HA 0.130 4.470 4.340 0.000 0.000 0.242 2186 R C 1.420 177.497 176.300 -0.372 0.000 1.142 2186 R CA 1.415 57.438 56.100 -0.129 0.000 0.960 2186 R CB -0.253 29.969 30.300 -0.130 0.000 0.858 2186 R HN 0.875 nan 8.270 nan 0.000 0.439 2187 G N -0.648 107.629 108.800 -0.872 0.000 2.483 2187 G HA2 -0.206 3.754 3.960 0.000 0.000 0.521 2187 G HA3 -0.206 3.754 3.960 0.000 0.000 0.521 2187 G C -0.704 173.440 174.900 -1.260 0.000 1.278 2187 G CA -0.400 44.093 45.100 -1.012 0.000 0.965 2187 G HN 0.259 nan 8.290 nan 0.000 0.504 2188 N N -1.088 117.209 118.700 -0.671 0.000 2.725 2188 N HA -0.200 4.540 4.740 0.000 0.000 0.249 2188 N C 1.120 176.360 175.510 -0.449 0.000 1.103 2188 N CA 1.957 54.812 53.050 -0.325 0.000 0.707 2188 N CB -1.523 36.947 38.487 -0.028 0.000 1.043 2188 N HN 0.713 nan 8.380 nan 0.000 0.553 2189 W N 0.238 121.407 121.300 -0.218 0.000 2.342 2189 W HA -0.044 4.616 4.660 0.000 0.000 0.297 2189 W C 2.435 178.825 176.519 -0.215 0.000 1.213 2189 W CA 0.647 57.907 57.345 -0.141 0.000 1.251 2189 W CB -0.583 28.839 29.460 -0.063 0.000 1.136 2189 W HN 0.293 nan 8.180 nan 0.000 0.526 2190 G N -0.081 108.446 108.800 -0.456 0.000 2.422 2190 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 2190 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 2190 G C 1.245 176.098 174.900 -0.078 0.000 1.146 2190 G CA 1.223 46.169 45.100 -0.257 0.000 0.769 2190 G HN 0.305 nan 8.290 nan 0.000 0.547 2191 H N 0.207 119.290 119.070 0.022 0.000 2.395 2191 H HA 0.139 4.695 4.556 0.000 0.000 0.299 2191 H C 2.689 178.028 175.328 0.019 0.000 1.070 2191 H CA 0.585 56.635 56.048 0.003 0.000 1.356 2191 H CB -0.197 29.581 29.762 0.025 0.000 1.401 2191 H HN 0.273 nan 8.280 nan 0.000 0.524 2192 L N 0.541 121.865 121.223 0.168 0.000 2.201 2192 L HA -0.141 4.199 4.340 0.000 0.000 0.212 2192 L C 1.858 178.845 176.870 0.195 0.000 1.105 2192 L CA 0.857 55.801 54.840 0.173 0.000 0.775 2192 L CB -0.170 42.018 42.059 0.214 0.000 0.913 2192 L HN 0.110 nan 8.230 nan 0.000 0.440 2193 D N -0.155 120.376 120.400 0.219 0.000 2.149 2193 D HA -0.159 4.481 4.640 0.000 0.000 0.201 2193 D C 2.261 178.695 176.300 0.223 0.000 0.972 2193 D CA 0.990 55.185 54.000 0.327 0.000 0.835 2193 D CB -0.069 40.961 40.800 0.383 0.000 0.966 2193 D HN 0.408 nan 8.370 nan 0.000 0.476 2194 Q N 0.288 120.141 119.800 0.090 0.000 2.119 2194 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 2194 Q C 2.384 178.352 176.000 -0.053 0.000 0.972 2194 Q CA 0.737 56.505 55.803 -0.057 0.000 0.847 2194 Q CB 0.056 28.710 28.738 -0.140 0.000 0.903 2194 Q HN 0.120 nan 8.270 nan 0.000 0.433 2195 V N 0.989 120.920 119.914 0.029 0.000 2.343 2195 V HA -0.282 3.838 4.120 0.000 0.000 0.247 2195 V C 2.255 178.390 176.094 0.068 0.000 1.051 2195 V CA 1.820 64.153 62.300 0.054 0.000 1.036 2195 V CB -0.950 30.927 31.823 0.091 0.000 0.654 2195 V HN 0.417 nan 8.190 nan 0.000 0.451 2196 A N -0.086 122.805 122.820 0.119 0.000 1.933 2196 A HA -0.110 4.210 4.320 0.000 0.000 0.218 2196 A C 2.402 180.037 177.584 0.085 0.000 1.175 2196 A CA 2.051 54.207 52.037 0.197 0.000 0.628 2196 A CB -0.687 18.535 19.000 0.369 0.000 0.814 2196 A HN 0.570 nan 8.150 nan 0.000 0.444 2197 A N -0.357 122.268 122.820 -0.325 0.000 1.898 2197 A HA 0.022 4.343 4.320 0.000 0.000 0.216 2197 A C 2.128 179.637 177.584 -0.123 0.000 1.181 2197 A CA 1.367 52.986 52.037 -0.696 0.000 0.620 2197 A CB -0.534 17.790 19.000 -1.127 0.000 0.819 2197 A HN 0.462 nan 8.150 nan 0.000 0.442 2198 L N -1.304 119.886 121.223 -0.055 0.000 2.141 2198 L HA -0.131 4.209 4.340 0.000 0.000 0.209 2198 L C 2.722 179.650 176.870 0.097 0.000 1.094 2198 L CA 1.523 56.389 54.840 0.043 0.000 0.763 2198 L CB -0.334 41.749 42.059 0.041 0.000 0.908 2198 L HN 0.397 nan 8.230 nan 0.000 0.437 2199 R N -0.512 120.054 120.500 0.109 0.000 2.092 2199 R HA -0.226 4.114 4.340 0.000 0.000 0.231 2199 R C 2.133 178.520 176.300 0.145 0.000 1.119 2199 R CA 1.501 57.671 56.100 0.116 0.000 0.970 2199 R CB -0.500 29.878 30.300 0.131 0.000 0.864 2199 R HN 0.383 nan 8.270 nan 0.000 0.440 2200 W N -0.252 121.072 121.300 0.040 0.000 2.358 2200 W HA -0.176 4.484 4.660 0.000 0.000 0.303 2200 W C 1.659 178.202 176.519 0.040 0.000 1.208 2200 W CA 1.515 58.900 57.345 0.066 0.000 1.274 2200 W CB -0.271 29.259 29.460 0.117 0.000 1.138 2200 W HN -0.108 nan 8.180 nan 0.000 0.515 2201 V N 0.999 121.112 119.914 0.332 0.000 2.332 2201 V HA -0.367 3.753 4.120 0.000 0.000 0.248 2201 V C 2.575 178.676 176.094 0.011 0.000 1.055 2201 V CA 2.120 64.540 62.300 0.200 0.000 1.038 2201 V CB -1.029 30.922 31.823 0.213 0.000 0.651 2201 V HN 0.225 nan 8.190 nan 0.000 0.450 2202 Q N -0.100 119.711 119.800 0.019 0.000 2.061 2202 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 2202 Q C 2.000 177.946 176.000 -0.091 0.000 0.984 2202 Q CA 1.837 57.635 55.803 -0.008 0.000 0.846 2202 Q CB -0.588 28.156 28.738 0.011 0.000 0.902 2202 Q HN 0.670 nan 8.270 nan 0.000 0.421 2203 D N -0.455 119.843 120.400 -0.170 0.000 2.317 2203 D HA -0.028 4.612 4.640 0.000 0.000 0.211 2203 D C 1.033 177.108 176.300 -0.375 0.000 0.966 2203 D CA 0.549 54.399 54.000 -0.250 0.000 0.876 2203 D CB 0.077 40.716 40.800 -0.269 0.000 0.927 2203 D HN 0.312 nan 8.370 nan 0.000 0.519 2204 N N -0.330 118.060 118.700 -0.517 0.000 2.266 2204 N HA 0.023 4.764 4.740 0.000 0.000 0.217 2204 N C 1.505 176.906 175.510 -0.182 0.000 1.211 2204 N CA -0.203 52.519 53.050 -0.547 0.000 0.881 2204 N CB 0.890 38.602 38.487 -1.292 0.000 1.153 2204 N HN -0.020 nan 8.380 nan 0.000 0.489 2205 I N 2.666 123.178 120.570 -0.096 0.000 2.530 2205 I HA -0.155 4.015 4.170 0.000 0.000 0.257 2205 I C 2.170 178.385 176.117 0.163 0.000 1.179 2205 I CA 0.701 62.084 61.300 0.139 0.000 1.440 2205 I CB -0.171 37.897 38.000 0.113 0.000 1.087 2205 I HN 0.077 nan 8.210 nan 0.000 0.440 2206 A N -1.126 121.720 122.820 0.042 0.000 2.019 2206 A HA -0.158 4.163 4.320 0.000 0.000 0.219 2206 A C 2.406 179.984 177.584 -0.010 0.000 1.164 2206 A CA 1.833 53.879 52.037 0.016 0.000 0.644 2206 A CB -0.798 18.184 19.000 -0.029 0.000 0.805 2206 A HN 0.435 nan 8.150 nan 0.000 0.449 2207 S N -1.011 114.650 115.700 -0.066 0.000 2.474 2207 S HA 0.007 4.477 4.470 0.000 0.000 0.235 2207 S C 0.644 175.000 174.600 -0.407 0.000 0.997 2207 S CA 0.747 58.792 58.200 -0.258 0.000 0.949 2207 S CB -0.372 62.586 63.200 -0.404 0.000 0.766 2207 S HN 0.582 nan 8.310 nan 0.000 0.517 2208 F N 0.636 120.557 119.950 -0.049 0.000 2.647 2208 F HA 0.384 4.911 4.527 0.001 0.000 0.300 2208 F C 1.612 177.443 175.800 0.051 0.000 1.106 2208 F CA -0.121 57.870 58.000 -0.016 0.000 1.313 2208 F CB 0.069 39.053 39.000 -0.025 0.000 1.007 2208 F HN 0.212 nan 8.300 nan 0.000 0.536 2209 G N 0.338 109.223 108.800 0.142 0.000 2.143 2209 G HA2 -0.167 3.793 3.960 0.000 0.000 0.249 2209 G HA3 -0.167 3.793 3.960 0.000 0.000 0.249 2209 G C 0.533 175.506 174.900 0.122 0.000 0.981 2209 G CA -0.178 44.994 45.100 0.120 0.000 0.665 2209 G HN 0.754 nan 8.290 nan 0.000 0.528 2210 G N -0.653 108.230 108.800 0.139 0.000 2.434 2210 G HA2 0.523 4.483 3.960 0.000 0.000 0.330 2210 G HA3 0.523 4.483 3.960 0.000 0.000 0.330 2210 G C -0.450 174.493 174.900 0.071 0.000 1.155 2210 G CA -0.241 44.929 45.100 0.116 0.000 0.917 2210 G HN 0.476 nan 8.290 nan 0.000 0.493 2211 N N 1.258 119.989 118.700 0.052 0.000 2.485 2211 N HA 0.317 5.057 4.740 0.000 0.000 0.243 2211 N C -1.112 174.412 175.510 0.023 0.000 0.987 2211 N CA -2.472 50.588 53.050 0.017 0.000 0.940 2211 N CB 2.090 40.570 38.487 -0.011 0.000 1.122 2211 N HN 0.105 nan 8.380 nan 0.000 0.509 2212 P HA -0.019 nan 4.420 nan 0.000 0.225 2212 P C 0.881 178.223 177.300 0.069 0.000 1.148 2212 P CA 0.729 63.862 63.100 0.056 0.000 0.779 2212 P CB 0.163 31.877 31.700 0.024 0.000 0.780 2213 G N -0.727 108.034 108.800 -0.064 0.000 2.920 2213 G HA2 -0.009 3.952 3.960 0.000 0.000 0.208 2213 G HA3 -0.009 3.952 3.960 0.000 0.000 0.208 2213 G C 0.539 175.028 174.900 -0.685 0.000 1.159 2213 G CA 0.150 45.074 45.100 -0.292 0.000 0.784 2213 G HN 0.382 nan 8.290 nan 0.000 0.535 2214 S N 0.127 115.655 115.700 -0.285 0.000 2.293 2214 S HA 0.469 4.939 4.470 0.000 0.000 0.154 2214 S C -0.938 173.729 174.600 0.111 0.000 1.602 2214 S CA -0.439 57.660 58.200 -0.168 0.000 1.260 2214 S CB 0.410 63.538 63.200 -0.119 0.000 1.270 2214 S HN -0.061 nan 8.310 nan 0.000 0.416 2215 V N 3.477 123.641 119.914 0.416 0.000 2.398 2215 V HA 0.540 4.660 4.120 0.000 0.000 0.286 2215 V C 0.269 176.519 176.094 0.261 0.000 1.026 2215 V CA -0.393 62.086 62.300 0.298 0.000 0.868 2215 V CB 1.733 33.722 31.823 0.277 0.000 0.982 2215 V HN 0.679 nan 8.190 nan 0.000 0.443 2216 T N 6.452 121.112 114.554 0.177 0.000 2.794 2216 T HA 0.645 4.995 4.350 0.000 0.000 0.280 2216 T C -0.200 174.615 174.700 0.191 0.000 0.987 2216 T CA -0.191 62.001 62.100 0.154 0.000 0.993 2216 T CB 1.023 69.926 68.868 0.058 0.000 0.939 2216 T HN 0.629 nan 8.240 nan 0.000 0.449 2217 I N 1.517 122.177 120.570 0.149 0.000 2.404 2217 I HA 0.862 5.032 4.170 0.000 0.000 0.293 2217 I C -1.066 175.219 176.117 0.280 0.000 0.992 2217 I CA -1.126 60.252 61.300 0.131 0.000 1.149 2217 I CB 1.191 39.051 38.000 -0.233 0.000 1.315 2217 I HN 0.479 nan 8.210 nan 0.000 0.446 2218 F N 3.160 123.127 119.950 0.027 0.000 2.601 2218 F HA 1.016 5.544 4.527 0.001 0.000 0.309 2218 F C -0.421 175.286 175.800 -0.156 0.000 1.089 2218 F CA -1.611 56.435 58.000 0.077 0.000 0.940 2218 F CB 1.363 40.545 39.000 0.303 0.000 1.273 2218 F HN 0.808 nan 8.300 nan 0.000 0.450 2219 G N 0.978 109.570 108.800 -0.347 0.000 2.646 2219 G HA2 0.497 4.457 3.960 0.000 0.000 0.291 2219 G HA3 0.497 4.457 3.960 0.000 0.000 0.291 2219 G C -2.505 172.110 174.900 -0.476 0.000 1.445 2219 G CA -0.785 43.694 45.100 -1.035 0.000 0.814 2219 G HN 0.854 nan 8.290 nan 0.000 0.495 2220 E N 0.391 120.298 120.200 -0.489 0.000 2.238 2220 E HA 0.645 4.995 4.350 0.000 0.000 0.267 2220 E C 0.664 177.266 176.600 0.004 0.000 0.887 2220 E CA 0.251 56.621 56.400 -0.049 0.000 0.769 2220 E CB 2.109 31.894 29.700 0.142 0.000 1.187 2220 E HN 0.790 nan 8.360 nan 0.000 0.416 2221 S N 2.562 118.334 115.700 0.120 0.000 4.114 2221 S HA -0.383 4.087 4.470 0.000 0.000 0.618 2221 S C 1.418 176.122 174.600 0.172 0.000 1.937 2221 S CA 1.925 60.301 58.200 0.293 0.000 4.228 2221 S CB -1.593 61.870 63.200 0.438 0.000 0.216 2221 S HN 0.963 nan 8.310 nan 0.000 0.528 2222 A N 0.917 123.832 122.820 0.158 0.000 2.076 2222 A HA 0.152 4.472 4.320 0.000 0.000 0.220 2222 A C 2.307 179.866 177.584 -0.041 0.000 1.160 2222 A CA 2.342 54.413 52.037 0.057 0.000 0.653 2222 A CB -1.400 17.643 19.000 0.071 0.000 0.801 2222 A HN 1.496 nan 8.150 nan 0.000 0.455 2223 G N -0.796 107.946 108.800 -0.098 0.000 2.430 2223 G HA2 0.138 4.099 3.960 0.000 0.000 0.216 2223 G HA3 0.138 4.099 3.960 0.000 0.000 0.216 2223 G C 1.422 176.166 174.900 -0.260 0.000 1.146 2223 G CA 1.030 45.949 45.100 -0.301 0.000 0.793 2223 G HN 0.626 nan 8.290 nan 0.000 0.537 2224 G N 0.328 109.049 108.800 -0.133 0.000 2.403 2224 G HA2 -0.119 3.841 3.960 0.000 0.000 0.216 2224 G HA3 -0.119 3.841 3.960 0.000 0.000 0.216 2224 G C 1.528 176.399 174.900 -0.047 0.000 1.154 2224 G CA 1.032 46.097 45.100 -0.058 0.000 0.784 2224 G HN 0.412 nan 8.290 nan 0.000 0.538 2225 E N 1.051 121.227 120.200 -0.040 0.000 2.110 2225 E HA -0.105 4.245 4.350 0.000 0.000 0.193 2225 E C 2.545 179.078 176.600 -0.112 0.000 0.988 2225 E CA 1.193 57.557 56.400 -0.060 0.000 0.804 2225 E CB -0.221 29.450 29.700 -0.047 0.000 0.745 2225 E HN 0.334 nan 8.360 nan 0.000 0.458 2226 S N 0.211 115.839 115.700 -0.120 0.000 2.368 2226 S HA -0.127 4.343 4.470 0.000 0.000 0.225 2226 S C 2.144 176.603 174.600 -0.235 0.000 1.030 2226 S CA 1.167 59.273 58.200 -0.156 0.000 0.999 2226 S CB -0.265 62.813 63.200 -0.202 0.000 0.844 2226 S HN 0.137 nan 8.310 nan 0.000 0.459 2227 V N 1.262 121.037 119.914 -0.232 0.000 2.287 2227 V HA -0.178 3.942 4.120 0.000 0.000 0.248 2227 V C 2.601 178.539 176.094 -0.260 0.000 1.053 2227 V CA 2.035 64.171 62.300 -0.273 0.000 1.027 2227 V CB -0.829 30.887 31.823 -0.179 0.000 0.646 2227 V HN 0.545 nan 8.190 nan 0.000 0.447 2228 S N -0.638 114.976 115.700 -0.144 0.000 2.370 2228 S HA -0.179 4.291 4.470 0.000 0.000 0.226 2228 S C 1.970 176.460 174.600 -0.183 0.000 1.033 2228 S CA 1.900 60.033 58.200 -0.111 0.000 1.011 2228 S CB -0.199 62.984 63.200 -0.028 0.000 0.852 2228 S HN 0.334 nan 8.310 nan 0.000 0.457 2229 V N 2.012 121.793 119.914 -0.221 0.000 2.343 2229 V HA -0.132 3.988 4.120 0.000 0.000 0.247 2229 V C 2.349 178.318 176.094 -0.209 0.000 1.051 2229 V CA 1.806 63.947 62.300 -0.265 0.000 1.036 2229 V CB -0.658 30.886 31.823 -0.465 0.000 0.654 2229 V HN 0.481 nan 8.190 nan 0.000 0.451 2230 L N -0.551 120.549 121.223 -0.205 0.000 2.131 2230 L HA -0.143 4.197 4.340 0.000 0.000 0.210 2230 L C 2.436 179.402 176.870 0.160 0.000 1.092 2230 L CA 0.932 55.727 54.840 -0.074 0.000 0.759 2230 L CB -0.664 41.253 42.059 -0.237 0.000 0.903 2230 L HN 0.195 nan 8.230 nan 0.000 0.435 2231 V N 0.152 120.093 119.914 0.045 0.000 2.490 2231 V HA -0.251 3.869 4.120 0.000 0.000 0.250 2231 V C 2.066 178.119 176.094 -0.069 0.000 1.061 2231 V CA 1.512 63.917 62.300 0.175 0.000 1.064 2231 V CB -0.283 31.431 31.823 -0.181 0.000 0.670 2231 V HN 0.399 nan 8.190 nan 0.000 0.461 2232 L N -0.759 120.389 121.223 -0.124 0.000 2.592 2232 L HA 0.179 4.519 4.340 0.000 0.000 0.227 2232 L C 1.011 177.797 176.870 -0.140 0.000 1.127 2232 L CA 0.167 54.931 54.840 -0.127 0.000 0.884 2232 L CB 0.151 42.138 42.059 -0.120 0.000 1.065 2232 L HN 0.190 nan 8.230 nan 0.000 0.457 2233 S N 0.496 116.126 115.700 -0.116 0.000 2.462 2233 S HA 0.340 4.810 4.470 0.000 0.000 0.294 2233 S C -1.488 173.158 174.600 0.076 0.000 1.144 2233 S CA -1.565 56.623 58.200 -0.020 0.000 1.088 2233 S CB 1.236 64.450 63.200 0.023 0.000 1.009 2233 S HN -0.068 nan 8.310 nan 0.000 0.484 2234 P HA -0.029 nan 4.420 nan 0.000 0.226 2234 P C 1.241 178.631 177.300 0.149 0.000 1.153 2234 P CA 0.695 63.870 63.100 0.126 0.000 0.777 2234 P CB 0.072 31.805 31.700 0.054 0.000 0.794 2235 L N -0.794 120.504 121.223 0.125 0.000 2.376 2235 L HA 0.027 4.367 4.340 0.000 0.000 0.219 2235 L C 2.253 179.197 176.870 0.123 0.000 1.133 2235 L CA 1.032 55.935 54.840 0.105 0.000 0.816 2235 L CB -0.667 41.444 42.059 0.086 0.000 0.933 2235 L HN -0.055 nan 8.230 nan 0.000 0.449 2236 A N -0.402 122.544 122.820 0.210 0.000 2.423 2236 A HA 0.216 4.537 4.320 0.000 0.000 0.246 2236 A C 2.268 179.806 177.584 -0.078 0.000 1.278 2236 A CA 0.691 52.856 52.037 0.213 0.000 0.903 2236 A CB -0.279 18.982 19.000 0.434 0.000 0.997 2236 A HN 0.217 nan 8.150 nan 0.000 0.510 2237 K N 1.424 121.745 120.400 -0.132 0.000 2.044 2237 K HA -0.252 4.068 4.320 0.000 0.000 0.224 2237 K C 0.992 177.255 176.600 -0.562 0.000 1.056 2237 K CA 2.309 58.347 56.287 -0.414 0.000 0.962 2237 K CB -1.070 31.379 32.500 -0.085 0.000 0.730 2237 K HN 0.635 nan 8.250 nan 0.000 0.453 2238 N N 0.167 118.679 118.700 -0.314 0.000 2.380 2238 N HA 0.252 4.992 4.740 0.000 0.000 0.255 2238 N C 0.635 175.986 175.510 -0.266 0.000 1.158 2238 N CA 0.105 52.976 53.050 -0.299 0.000 0.878 2238 N CB 0.694 39.096 38.487 -0.143 0.000 1.138 2238 N HN 0.415 nan 8.380 nan 0.000 0.509 2239 L N -0.327 120.741 121.223 -0.258 0.000 2.585 2239 L HA 0.281 4.621 4.340 0.000 0.000 0.226 2239 L C -0.222 176.650 176.870 0.003 0.000 1.113 2239 L CA 0.288 55.098 54.840 -0.050 0.000 0.876 2239 L CB -0.115 42.006 42.059 0.104 0.000 1.072 2239 L HN 0.037 nan 8.230 nan 0.000 0.468 2240 F N -4.101 115.566 119.950 -0.472 0.000 2.713 2240 F HA 0.442 4.969 4.527 0.000 0.000 0.311 2240 F C 0.042 175.396 175.800 -0.742 0.000 1.141 2240 F CA -1.146 56.564 58.000 -0.483 0.000 0.939 2240 F CB 0.848 39.731 39.000 -0.195 0.000 1.325 2240 F HN -0.101 nan 8.300 nan 0.000 0.453 2241 H N -0.916 118.188 119.070 0.057 0.000 3.233 2241 H HA 0.550 5.106 4.556 0.001 0.000 0.263 2241 H C -0.699 174.626 175.328 -0.006 0.000 1.168 2241 H CA -0.458 55.554 56.048 -0.059 0.000 1.159 2241 H CB 0.706 30.427 29.762 -0.069 0.000 1.593 2241 H HN 0.469 nan 8.280 nan 0.000 0.580 2242 R N 0.346 120.966 120.500 0.199 0.000 2.629 2242 R HA 0.759 5.099 4.340 0.000 0.000 0.266 2242 R C -1.561 174.911 176.300 0.287 0.000 1.051 2242 R CA -0.438 55.736 56.100 0.123 0.000 0.895 2242 R CB 1.996 32.195 30.300 -0.168 0.000 1.246 2242 R HN 0.171 nan 8.270 nan 0.000 0.459 2243 A N 2.458 125.486 122.820 0.346 0.000 2.475 2243 A HA 0.847 5.167 4.320 0.000 0.000 0.301 2243 A C -1.238 176.572 177.584 0.376 0.000 1.059 2243 A CA -0.656 51.507 52.037 0.209 0.000 0.710 2243 A CB 1.184 20.089 19.000 -0.158 0.000 1.288 2243 A HN 0.584 nan 8.150 nan 0.000 0.408 2244 I N 1.348 122.073 120.570 0.257 0.000 2.512 2244 I HA 0.315 4.485 4.170 0.000 0.000 0.287 2244 I C -0.352 175.896 176.117 0.218 0.000 1.069 2244 I CA -0.262 61.136 61.300 0.163 0.000 1.056 2244 I CB 2.333 40.339 38.000 0.010 0.000 1.229 2244 I HN 0.480 nan 8.210 nan 0.000 0.429 2245 S N 5.149 120.956 115.700 0.178 0.000 2.474 2245 S HA 0.371 4.841 4.470 0.000 0.000 0.321 2245 S C -0.512 174.136 174.600 0.080 0.000 1.080 2245 S CA -0.629 57.640 58.200 0.116 0.000 1.106 2245 S CB 0.976 64.237 63.200 0.102 0.000 0.984 2245 S HN 0.479 nan 8.310 nan 0.000 0.464 2246 E N 1.792 122.088 120.200 0.160 0.000 2.092 2246 E HA 0.353 4.704 4.350 0.000 0.000 0.271 2246 E C -0.431 176.244 176.600 0.126 0.000 0.919 2246 E CA -0.559 55.979 56.400 0.229 0.000 0.760 2246 E CB 1.055 30.987 29.700 0.387 0.000 1.106 2246 E HN 0.605 nan 8.360 nan 0.000 0.408 2247 S N 2.048 117.796 115.700 0.081 0.000 3.608 2247 S HA -0.131 4.339 4.470 0.000 0.000 0.382 2247 S C 0.053 174.823 174.600 0.284 0.000 0.945 2247 S CA 0.549 58.801 58.200 0.087 0.000 1.256 2247 S CB -1.109 62.072 63.200 -0.031 0.000 0.913 2247 S HN 0.954 nan 8.310 nan 0.000 0.518 2248 G N -0.903 108.057 108.800 0.267 0.000 2.169 2248 G HA2 0.505 4.465 3.960 0.000 0.000 0.286 2248 G HA3 0.505 4.465 3.960 0.000 0.000 0.286 2248 G C -0.836 174.111 174.900 0.079 0.000 1.742 2248 G CA 0.076 45.328 45.100 0.253 0.000 0.904 2248 G HN 1.524 nan 8.290 nan 0.000 0.735 2249 V N -0.668 119.255 119.914 0.015 0.000 3.182 2249 V HA 0.933 5.053 4.120 0.000 0.000 0.308 2249 V C 1.294 177.341 176.094 -0.080 0.000 1.240 2249 V CA -0.051 62.228 62.300 -0.035 0.000 1.063 2249 V CB 1.216 33.002 31.823 -0.061 0.000 1.076 2249 V HN 2.149 nan 8.190 nan 0.000 0.446 2250 A N -0.275 122.489 122.820 -0.094 0.000 2.225 2250 A HA 0.183 4.503 4.320 0.000 0.000 0.215 2250 A C 1.504 179.007 177.584 -0.136 0.000 1.164 2250 A CA 1.437 53.400 52.037 -0.124 0.000 0.710 2250 A CB -0.733 18.186 19.000 -0.134 0.000 0.780 2250 A HN 0.819 nan 8.150 nan 0.000 0.473 2251 L N -0.414 120.726 121.223 -0.137 0.000 2.607 2251 L HA 0.059 4.399 4.340 0.000 0.000 0.228 2251 L C 0.174 176.919 176.870 -0.208 0.000 1.123 2251 L CA 0.014 54.758 54.840 -0.161 0.000 0.890 2251 L CB -0.044 41.931 42.059 -0.139 0.000 1.103 2251 L HN 0.097 nan 8.230 nan 0.000 0.468 2252 T N 0.433 114.859 114.554 -0.212 0.000 2.978 2252 T HA 0.009 4.360 4.350 0.000 0.000 0.278 2252 T C 1.514 176.049 174.700 -0.275 0.000 0.945 2252 T CA 0.260 62.181 62.100 -0.297 0.000 1.070 2252 T CB 0.691 69.382 68.868 -0.295 0.000 0.948 2252 T HN 0.389 nan 8.240 nan 0.000 0.617 2253 S N 3.018 118.539 115.700 -0.298 0.000 2.392 2253 S HA -0.157 4.313 4.470 0.000 0.000 0.232 2253 S C 2.149 176.605 174.600 -0.239 0.000 1.041 2253 S CA 1.416 59.452 58.200 -0.273 0.000 1.026 2253 S CB -0.662 62.342 63.200 -0.328 0.000 0.845 2253 S HN 0.479 nan 8.310 nan 0.000 0.465 2254 V N 1.004 120.767 119.914 -0.251 0.000 2.720 2254 V HA 0.040 4.160 4.120 0.000 0.000 0.256 2254 V C 1.911 177.908 176.094 -0.162 0.000 1.082 2254 V CA 1.691 63.875 62.300 -0.193 0.000 1.101 2254 V CB -0.509 31.206 31.823 -0.180 0.000 0.693 2254 V HN 0.649 nan 8.190 nan 0.000 0.479 2255 L N -0.600 120.520 121.223 -0.172 0.000 2.607 2255 L HA 0.235 4.575 4.340 0.000 0.000 0.228 2255 L C 0.064 176.836 176.870 -0.164 0.000 1.123 2255 L CA -0.059 54.682 54.840 -0.165 0.000 0.890 2255 L CB 0.613 42.587 42.059 -0.142 0.000 1.103 2255 L HN 0.077 nan 8.230 nan 0.000 0.468 2256 V N 0.377 120.199 119.914 -0.154 0.000 2.444 2256 V HA 0.435 4.556 4.120 0.000 0.000 0.294 2256 V C 0.328 176.348 176.094 -0.124 0.000 1.022 2256 V CA -0.842 61.377 62.300 -0.134 0.000 0.850 2256 V CB 1.252 32.993 31.823 -0.137 0.000 0.992 2256 V HN 0.114 nan 8.190 nan 0.000 0.426 2257 K N 2.475 122.813 120.400 -0.104 0.000 2.262 2257 K HA 0.792 5.112 4.320 0.000 0.000 0.282 2257 K C -0.036 176.515 176.600 -0.081 0.000 1.066 2257 K CA -0.133 56.101 56.287 -0.088 0.000 0.901 2257 K CB 0.839 33.292 32.500 -0.079 0.000 1.089 2257 K HN 0.986 nan 8.250 nan 0.000 0.476 2258 K N 0.565 120.919 120.400 -0.077 0.000 2.156 2258 K HA 0.900 5.220 4.320 0.000 0.000 0.254 2258 K C 0.953 177.523 176.600 -0.050 0.000 0.950 2258 K CA 0.018 56.264 56.287 -0.068 0.000 0.849 2258 K CB 0.877 33.330 32.500 -0.078 0.000 1.100 2258 K HN 2.347 nan 8.250 nan 0.000 0.434 2259 G N 0.369 109.143 108.800 -0.044 0.000 2.568 2259 G HA2 -0.144 3.816 3.960 0.000 0.000 0.222 2259 G HA3 -0.144 3.816 3.960 0.000 0.000 0.222 2259 G C -0.547 174.332 174.900 -0.035 0.000 1.321 2259 G CA 0.123 45.204 45.100 -0.032 0.000 0.893 2259 G HN 1.225 nan 8.290 nan 0.000 0.569 2260 D N 0.193 120.577 120.400 -0.027 0.000 2.343 2260 D HA 0.392 5.033 4.640 0.000 0.000 0.255 2260 D C 1.662 177.940 176.300 -0.037 0.000 1.187 2260 D CA 0.641 54.623 54.000 -0.030 0.000 0.875 2260 D CB 1.257 42.045 40.800 -0.019 0.000 1.136 2260 D HN 1.275 nan 8.370 nan 0.000 0.469 2261 V N 1.906 121.786 119.914 -0.055 0.000 3.647 2261 V HA 0.160 4.280 4.120 0.000 0.000 0.279 2261 V C 1.927 177.974 176.094 -0.079 0.000 1.314 2261 V CA 0.189 62.446 62.300 -0.072 0.000 1.125 2261 V CB -0.223 31.537 31.823 -0.105 0.000 0.907 2261 V HN 0.329 nan 8.190 nan 0.000 0.434 2262 K N 2.266 122.631 120.400 -0.059 0.000 2.032 2262 K HA -0.039 4.281 4.320 0.000 0.000 0.209 2262 K C -0.176 176.410 176.600 -0.024 0.000 1.048 2262 K CA 2.442 58.702 56.287 -0.046 0.000 0.927 2262 K CB -1.588 30.898 32.500 -0.023 0.000 0.712 2262 K HN 0.446 nan 8.250 nan 0.000 0.441 2263 P HA -0.163 nan 4.420 nan 0.000 0.216 2263 P C 1.213 178.525 177.300 0.020 0.000 1.153 2263 P CA 1.018 64.122 63.100 0.006 0.000 0.858 2263 P CB -0.008 31.696 31.700 0.006 0.000 0.789 2264 L N -0.480 120.752 121.223 0.015 0.000 2.056 2264 L HA -0.031 4.309 4.340 0.000 0.000 0.207 2264 L C 2.192 179.105 176.870 0.072 0.000 1.078 2264 L CA 1.933 56.802 54.840 0.050 0.000 0.749 2264 L CB -1.562 40.522 42.059 0.043 0.000 0.901 2264 L HN -0.131 nan 8.230 nan 0.000 0.433 2265 A N -0.787 122.032 122.820 -0.002 0.000 1.902 2265 A HA -0.226 4.094 4.320 0.000 0.000 0.217 2265 A C 2.191 179.876 177.584 0.167 0.000 1.181 2265 A CA 1.863 53.916 52.037 0.026 0.000 0.623 2265 A CB -0.612 18.251 19.000 -0.230 0.000 0.818 2265 A HN 0.610 nan 8.150 nan 0.000 0.443 2266 E N -0.917 119.334 120.200 0.085 0.000 2.106 2266 E HA -0.233 4.117 4.350 0.000 0.000 0.192 2266 E C 2.255 178.900 176.600 0.076 0.000 0.984 2266 E CA 1.203 57.650 56.400 0.079 0.000 0.806 2266 E CB -0.142 29.585 29.700 0.044 0.000 0.750 2266 E HN 0.828 nan 8.360 nan 0.000 0.458 2267 Q N 0.852 120.697 119.800 0.074 0.000 2.084 2267 Q HA -0.173 4.168 4.340 0.000 0.000 0.202 2267 Q C 2.130 178.173 176.000 0.072 0.000 0.978 2267 Q CA 1.178 57.016 55.803 0.059 0.000 0.844 2267 Q CB -0.006 28.766 28.738 0.056 0.000 0.898 2267 Q HN 0.287 nan 8.270 nan 0.000 0.426 2268 I N 0.650 121.299 120.570 0.132 0.000 2.252 2268 I HA -0.247 3.923 4.170 0.000 0.000 0.245 2268 I C 2.462 178.616 176.117 0.062 0.000 1.102 2268 I CA 0.938 62.321 61.300 0.139 0.000 1.385 2268 I CB -0.418 37.750 38.000 0.281 0.000 1.064 2268 I HN 0.300 nan 8.210 nan 0.000 0.414 2269 A N 1.074 123.944 122.820 0.082 0.000 1.877 2269 A HA -0.170 4.150 4.320 0.000 0.000 0.216 2269 A C 2.302 179.889 177.584 0.005 0.000 1.186 2269 A CA 1.475 53.523 52.037 0.019 0.000 0.620 2269 A CB -0.814 18.221 19.000 0.058 0.000 0.822 2269 A HN 0.361 nan 8.150 nan 0.000 0.443 2270 I N -0.369 120.213 120.570 0.020 0.000 2.226 2270 I HA -0.229 3.942 4.170 0.000 0.000 0.245 2270 I C 2.486 178.601 176.117 -0.004 0.000 1.100 2270 I CA 1.781 63.086 61.300 0.007 0.000 1.374 2270 I CB -0.602 37.405 38.000 0.012 0.000 1.057 2270 I HN 0.256 nan 8.210 nan 0.000 0.413 2271 T N 0.625 115.176 114.554 -0.005 0.000 2.833 2271 T HA -0.101 4.249 4.350 0.000 0.000 0.269 2271 T C 1.794 176.479 174.700 -0.025 0.000 1.054 2271 T CA 1.343 63.432 62.100 -0.018 0.000 1.135 2271 T CB -0.186 68.666 68.868 -0.026 0.000 0.869 2271 T HN 0.480 nan 8.240 nan 0.000 0.466 2272 A N 0.238 123.040 122.820 -0.030 0.000 2.208 2272 A HA 0.524 4.845 4.320 0.000 0.000 0.209 2272 A C 1.847 179.409 177.584 -0.038 0.000 1.161 2272 A CA 0.778 52.788 52.037 -0.044 0.000 0.782 2272 A CB -0.502 18.453 19.000 -0.075 0.000 0.816 2272 A HN 0.722 nan 8.150 nan 0.000 0.477 2273 G N -1.985 106.799 108.800 -0.027 0.000 2.130 2273 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 2273 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 2273 G C 0.048 174.935 174.900 -0.022 0.000 0.999 2273 G CA -0.054 45.033 45.100 -0.022 0.000 0.686 2273 G HN 0.573 nan 8.290 nan 0.000 0.515 2274 c N 0.612 119.199 118.600 -0.022 0.000 2.365 2274 c HA 0.675 5.245 4.570 0.000 0.000 0.349 2274 c C 1.020 175.109 174.090 -0.001 0.000 1.191 2274 c CA -0.815 55.503 56.329 -0.018 0.000 2.114 2274 c CB 1.306 43.797 42.510 -0.032 0.000 2.367 2274 c HN 0.495 nan 8.230 nan 0.000 0.530 2275 K N 0.716 121.119 120.400 0.005 0.000 2.168 2275 K HA 0.309 4.630 4.320 0.000 0.000 0.258 2275 K C 0.786 177.398 176.600 0.020 0.000 1.010 2275 K CA 0.178 56.472 56.287 0.012 0.000 0.929 2275 K CB 0.588 33.096 32.500 0.013 0.000 0.998 2275 K HN 0.864 nan 8.250 nan 0.000 0.479 2276 T N -2.500 112.066 114.554 0.021 0.000 3.228 2276 T HA 0.053 4.403 4.350 0.000 0.000 0.278 2276 T C 1.081 175.794 174.700 0.021 0.000 1.014 2276 T CA -0.358 61.759 62.100 0.028 0.000 0.904 2276 T CB -0.007 68.878 68.868 0.029 0.000 1.110 2276 T HN 0.451 nan 8.240 nan 0.000 0.541 2277 T N 2.766 117.329 114.554 0.015 0.000 2.624 2277 T HA -0.069 4.281 4.350 0.000 0.000 0.268 2277 T C 1.208 175.911 174.700 0.005 0.000 1.041 2277 T CA 2.055 64.160 62.100 0.009 0.000 1.159 2277 T CB -0.526 68.345 68.868 0.005 0.000 0.863 2277 T HN 0.857 nan 8.240 nan 0.000 0.434 2278 T N -2.409 112.145 114.554 -0.000 0.000 2.812 2278 T HA 0.514 4.864 4.350 0.000 0.000 0.294 2278 T C 0.950 175.644 174.700 -0.009 0.000 1.159 2278 T CA -0.410 61.683 62.100 -0.012 0.000 1.008 2278 T CB 1.761 70.599 68.868 -0.049 0.000 1.289 2278 T HN -0.142 nan 8.240 nan 0.000 0.514 2279 S N 0.275 115.970 115.700 -0.008 0.000 2.368 2279 S HA 0.017 4.487 4.470 0.000 0.000 0.224 2279 S C 2.462 177.044 174.600 -0.030 0.000 1.029 2279 S CA 1.229 59.451 58.200 0.036 0.000 0.988 2279 S CB -0.935 62.359 63.200 0.156 0.000 0.838 2279 S HN 0.929 nan 8.310 nan 0.000 0.462 2280 A N 1.046 123.690 122.820 -0.294 0.000 1.933 2280 A HA -0.043 4.278 4.320 0.000 0.000 0.218 2280 A C 2.316 179.866 177.584 -0.057 0.000 1.175 2280 A CA 1.377 53.230 52.037 -0.306 0.000 0.628 2280 A CB -0.818 17.847 19.000 -0.557 0.000 0.814 2280 A HN 0.341 nan 8.150 nan 0.000 0.444 2281 V N -0.106 119.785 119.914 -0.039 0.000 2.307 2281 V HA -0.315 3.805 4.120 0.000 0.000 0.245 2281 V C 2.647 178.784 176.094 0.071 0.000 1.045 2281 V CA 2.244 64.566 62.300 0.036 0.000 1.024 2281 V CB -0.672 31.161 31.823 0.016 0.000 0.651 2281 V HN 0.585 nan 8.190 nan 0.000 0.449 2282 M N -0.624 119.010 119.600 0.058 0.000 2.080 2282 M HA -0.188 4.292 4.480 0.000 0.000 0.260 2282 M C 2.194 178.520 176.300 0.043 0.000 1.068 2282 M CA 1.809 57.148 55.300 0.065 0.000 1.109 2282 M CB -0.584 32.093 32.600 0.129 0.000 1.342 2282 M HN 0.245 nan 8.290 nan 0.000 0.405 2283 V N -0.665 119.311 119.914 0.102 0.000 2.358 2283 V HA -0.280 3.840 4.120 0.000 0.000 0.246 2283 V C 2.280 178.448 176.094 0.123 0.000 1.047 2283 V CA 2.331 64.688 62.300 0.096 0.000 1.035 2283 V CB -1.079 30.858 31.823 0.191 0.000 0.658 2283 V HN 0.495 nan 8.190 nan 0.000 0.452 2284 H N -0.570 118.524 119.070 0.039 0.000 2.353 2284 H HA -0.208 4.349 4.556 0.000 0.000 0.300 2284 H C 2.340 177.677 175.328 0.015 0.000 1.090 2284 H CA 2.254 58.319 56.048 0.029 0.000 1.327 2284 H CB -0.651 29.115 29.762 0.007 0.000 1.383 2284 H HN 0.453 nan 8.280 nan 0.000 0.508 2285 c N -0.081 118.452 118.600 -0.111 0.000 2.453 2285 c HA -0.057 4.513 4.570 0.000 0.000 0.277 2285 c C 2.797 176.800 174.090 -0.145 0.000 1.262 2285 c CA 0.959 57.190 56.329 -0.164 0.000 1.718 2285 c CB -1.434 41.040 42.510 -0.060 0.000 2.031 2285 c HN 0.669 nan 8.230 nan 0.000 0.480 2286 L N 0.357 121.516 121.223 -0.106 0.000 2.131 2286 L HA -0.112 4.228 4.340 0.000 0.000 0.210 2286 L C 2.964 179.827 176.870 -0.012 0.000 1.092 2286 L CA 1.405 56.188 54.840 -0.094 0.000 0.759 2286 L CB -0.677 41.242 42.059 -0.233 0.000 0.903 2286 L HN 0.364 nan 8.230 nan 0.000 0.435 2287 R N -0.228 120.277 120.500 0.009 0.000 2.189 2287 R HA -0.124 4.216 4.340 0.000 0.000 0.223 2287 R C 2.001 178.221 176.300 -0.133 0.000 1.092 2287 R CA 0.866 56.928 56.100 -0.063 0.000 0.989 2287 R CB -0.066 30.224 30.300 -0.017 0.000 0.876 2287 R HN 0.568 nan 8.270 nan 0.000 0.457 2288 Q N 0.092 119.791 119.800 -0.169 0.000 2.398 2288 Q HA 0.045 4.386 4.340 0.000 0.000 0.204 2288 Q C 0.029 175.968 176.000 -0.102 0.000 0.932 2288 Q CA 0.344 56.055 55.803 -0.153 0.000 0.916 2288 Q CB 0.347 28.962 28.738 -0.204 0.000 1.024 2288 Q HN -0.018 nan 8.270 nan 0.000 0.504 2289 K N 2.385 122.726 120.400 -0.098 0.000 2.355 2289 K HA 0.055 4.376 4.320 0.000 0.000 0.270 2289 K C 0.529 177.103 176.600 -0.043 0.000 1.003 2289 K CA 0.219 56.463 56.287 -0.071 0.000 0.957 2289 K CB 0.528 32.977 32.500 -0.085 0.000 0.939 2289 K HN 0.152 nan 8.250 nan 0.000 0.482 2290 T N -2.325 112.221 114.554 -0.013 0.000 2.788 2290 T HA 0.046 4.396 4.350 0.000 0.000 0.287 2290 T C 1.341 176.090 174.700 0.081 0.000 1.007 2290 T CA -0.537 61.575 62.100 0.020 0.000 1.005 2290 T CB 1.073 69.951 68.868 0.016 0.000 1.012 2290 T HN 0.635 nan 8.240 nan 0.000 0.530 2291 E N 0.078 120.352 120.200 0.124 0.000 2.058 2291 E HA -0.231 4.120 4.350 0.000 0.000 0.194 2291 E C 2.204 178.947 176.600 0.238 0.000 0.997 2291 E CA 1.650 58.200 56.400 0.250 0.000 0.801 2291 E CB -0.242 29.531 29.700 0.122 0.000 0.746 2291 E HN 0.720 nan 8.360 nan 0.000 0.450 2292 E N 0.318 120.591 120.200 0.121 0.000 2.118 2292 E HA -0.228 4.122 4.350 0.000 0.000 0.195 2292 E C 1.750 178.405 176.600 0.093 0.000 0.992 2292 E CA 1.744 58.201 56.400 0.096 0.000 0.804 2292 E CB -0.257 29.472 29.700 0.049 0.000 0.741 2292 E HN 0.533 nan 8.360 nan 0.000 0.458 2293 E N -0.301 119.938 120.200 0.065 0.000 2.106 2293 E HA -0.060 4.290 4.350 0.000 0.000 0.192 2293 E C 2.365 178.978 176.600 0.022 0.000 0.984 2293 E CA 1.319 57.736 56.400 0.029 0.000 0.806 2293 E CB -0.167 29.533 29.700 -0.001 0.000 0.750 2293 E HN 0.401 nan 8.360 nan 0.000 0.458 2294 L N 0.457 121.698 121.223 0.031 0.000 2.156 2294 L HA -0.122 4.218 4.340 0.000 0.000 0.208 2294 L C 2.408 179.311 176.870 0.055 0.000 1.095 2294 L CA 0.208 54.993 54.840 -0.092 0.000 0.770 2294 L CB -0.195 41.636 42.059 -0.380 0.000 0.914 2294 L HN 0.205 nan 8.230 nan 0.000 0.439 2295 L N 0.063 121.452 121.223 0.277 0.000 2.109 2295 L HA -0.149 4.192 4.340 0.000 0.000 0.207 2295 L C 2.312 179.278 176.870 0.160 0.000 1.086 2295 L CA 1.713 56.746 54.840 0.323 0.000 0.760 2295 L CB -0.435 41.789 42.059 0.275 0.000 0.910 2295 L HN 0.196 nan 8.230 nan 0.000 0.437 2296 E N -1.281 118.977 120.200 0.096 0.000 2.150 2296 E HA -0.159 4.191 4.350 0.000 0.000 0.193 2296 E C 1.871 178.486 176.600 0.025 0.000 0.985 2296 E CA 1.520 57.950 56.400 0.049 0.000 0.814 2296 E CB -0.164 29.553 29.700 0.029 0.000 0.752 2296 E HN 0.507 nan 8.360 nan 0.000 0.466 2297 T N 0.559 115.124 114.554 0.018 0.000 2.777 2297 T HA -0.117 4.233 4.350 0.000 0.000 0.266 2297 T C 2.028 176.726 174.700 -0.003 0.000 1.040 2297 T CA 1.536 63.630 62.100 -0.010 0.000 1.141 2297 T CB -0.348 68.504 68.868 -0.027 0.000 0.868 2297 T HN 0.157 nan 8.240 nan 0.000 0.444 2298 T N 2.440 117.042 114.554 0.080 0.000 2.684 2298 T HA -0.061 4.289 4.350 0.000 0.000 0.267 2298 T C 1.853 176.572 174.700 0.031 0.000 1.036 2298 T CA 0.930 63.132 62.100 0.170 0.000 1.148 2298 T CB -0.421 68.641 68.868 0.324 0.000 0.863 2298 T HN 0.085 nan 8.240 nan 0.000 0.436 2299 L N 0.947 122.194 121.223 0.040 0.000 2.046 2299 L HA -0.007 4.333 4.340 0.000 0.000 0.208 2299 L C 2.370 179.202 176.870 -0.064 0.000 1.077 2299 L CA 1.671 56.513 54.840 0.003 0.000 0.747 2299 L CB -0.633 41.440 42.059 0.023 0.000 0.896 2299 L HN 0.188 nan 8.230 nan 0.000 0.432 2300 K N -1.264 119.092 120.400 -0.073 0.000 2.147 2300 K HA -0.119 4.201 4.320 0.000 0.000 0.205 2300 K C 1.984 178.481 176.600 -0.171 0.000 1.049 2300 K CA 0.996 57.226 56.287 -0.094 0.000 0.936 2300 K CB -0.165 32.292 32.500 -0.071 0.000 0.722 2300 K HN 0.216 nan 8.250 nan 0.000 0.446 2301 M N 1.262 120.683 119.600 -0.299 0.000 2.394 2301 M HA -0.102 4.378 4.480 0.000 0.000 0.264 2301 M C 0.580 176.554 176.300 -0.543 0.000 1.073 2301 M CA 1.169 56.135 55.300 -0.556 0.000 1.111 2301 M CB -0.693 31.207 32.600 -1.167 0.000 1.401 2301 M HN 0.245 nan 8.290 nan 0.000 0.448 2302 K N -0.279 119.907 120.400 -0.356 0.000 3.125 2302 K HA -0.189 4.132 4.320 0.000 0.000 0.268 2302 K C -0.921 175.622 176.600 -0.096 0.000 1.078 2302 K CA 0.235 56.420 56.287 -0.169 0.000 0.775 2302 K CB -2.850 29.584 32.500 -0.110 0.000 1.253 2302 K HN 0.187 nan 8.250 nan 0.000 0.486 2303 F N 0.630 120.605 119.950 0.041 0.000 2.545 2303 F HA 0.117 4.645 4.527 0.000 0.000 0.348 2303 F C 2.095 177.918 175.800 0.039 0.000 1.163 2303 F CA 0.550 58.577 58.000 0.045 0.000 1.331 2303 F CB 0.315 39.354 39.000 0.065 0.000 1.138 2303 F HN 0.221 nan 8.300 nan 0.000 0.602 2304 L N 0.901 122.278 121.223 0.256 0.000 4.560 2304 L HA -0.278 4.062 4.340 0.000 0.000 0.415 2304 L C -0.439 176.491 176.870 0.101 0.000 1.123 2304 L CA 0.076 55.003 54.840 0.145 0.000 0.991 2304 L CB -1.785 40.350 42.059 0.126 0.000 2.127 2304 L HN 0.570 nan 8.230 nan 0.000 0.765 2305 S N 0.015 115.773 115.700 0.096 0.000 2.526 2305 S HA 0.632 5.102 4.470 0.000 0.000 0.293 2305 S C -0.446 174.194 174.600 0.066 0.000 1.092 2305 S CA -0.605 57.634 58.200 0.064 0.000 0.980 2305 S CB 2.668 65.889 63.200 0.035 0.000 1.048 2305 S HN 0.189 nan 8.310 nan 0.000 0.483 2306 L N 3.503 124.768 121.223 0.069 0.000 2.325 2306 L HA 0.324 4.664 4.340 0.000 0.000 0.284 2306 L C -0.285 176.589 176.870 0.007 0.000 1.089 2306 L CA -0.099 54.776 54.840 0.058 0.000 0.836 2306 L CB 0.108 42.215 42.059 0.080 0.000 1.184 2306 L HN 0.526 nan 8.230 nan 0.000 0.444 2307 D N 4.722 125.120 120.400 -0.002 0.000 2.342 2307 D HA 0.055 4.696 4.640 0.000 0.000 0.260 2307 D C 0.649 176.924 176.300 -0.042 0.000 1.278 2307 D CA 0.170 54.156 54.000 -0.024 0.000 0.910 2307 D CB 0.589 41.374 40.800 -0.025 0.000 1.079 2307 D HN 0.579 nan 8.370 nan 0.000 0.496 2308 L N 2.753 123.951 121.223 -0.042 0.000 2.653 2308 L HA 0.184 4.524 4.340 0.000 0.000 0.232 2308 L C 0.969 177.821 176.870 -0.030 0.000 1.169 2308 L CA -0.011 54.802 54.840 -0.046 0.000 0.951 2308 L CB -0.271 41.760 42.059 -0.047 0.000 1.181 2308 L HN 0.342 nan 8.230 nan 0.000 0.460 2309 Q N 0.154 119.936 119.800 -0.031 0.000 2.365 2309 Q HA 0.557 4.897 4.340 0.000 0.000 0.269 2309 Q C 0.276 176.263 176.000 -0.023 0.000 1.061 2309 Q CA 0.197 55.988 55.803 -0.019 0.000 0.816 2309 Q CB 2.415 31.142 28.738 -0.018 0.000 1.325 2309 Q HN 0.211 nan 8.270 nan 0.000 0.446 2310 G N 2.705 111.501 108.800 -0.007 0.000 2.593 2310 G HA2 -0.260 3.701 3.960 0.000 0.000 0.237 2310 G HA3 -0.260 3.701 3.960 0.000 0.000 0.237 2310 G C -0.888 174.006 174.900 -0.011 0.000 1.312 2310 G CA -0.167 44.931 45.100 -0.004 0.000 0.896 2310 G HN 0.716 nan 8.290 nan 0.000 0.574 2311 D N 1.150 121.539 120.400 -0.020 0.000 2.339 2311 D HA 0.433 5.073 4.640 0.000 0.000 0.256 2311 D C -0.651 175.542 176.300 -0.178 0.000 1.214 2311 D CA -1.645 52.328 54.000 -0.046 0.000 0.877 2311 D CB 1.185 41.975 40.800 -0.017 0.000 1.111 2311 D HN 0.013 nan 8.370 nan 0.000 0.478 2312 P HA -0.096 nan 4.420 nan 0.000 0.218 2312 P C 1.042 178.117 177.300 -0.376 0.000 1.148 2312 P CA 1.011 63.825 63.100 -0.475 0.000 0.822 2312 P CB 0.242 31.360 31.700 -0.971 0.000 0.784 2313 R N -0.370 119.815 120.500 -0.525 0.000 2.237 2313 R HA -0.071 4.270 4.340 0.000 0.000 0.219 2313 R C 1.789 178.014 176.300 -0.126 0.000 1.080 2313 R CA 1.315 57.154 56.100 -0.436 0.000 0.995 2313 R CB -0.387 29.606 30.300 -0.513 0.000 0.875 2313 R HN 0.366 nan 8.270 nan 0.000 0.462 2314 E N -0.373 119.768 120.200 -0.099 0.000 2.481 2314 E HA 0.069 4.420 4.350 0.000 0.000 0.198 2314 E C 0.206 176.799 176.600 -0.011 0.000 1.027 2314 E CA -0.029 56.350 56.400 -0.036 0.000 0.900 2314 E CB 0.170 29.851 29.700 -0.032 0.000 0.993 2314 E HN 0.288 nan 8.360 nan 0.000 0.482 2315 S N 0.849 116.539 115.700 -0.016 0.000 2.586 2315 S HA 0.421 4.891 4.470 0.000 0.000 0.274 2315 S C 0.018 174.649 174.600 0.051 0.000 1.281 2315 S CA -0.786 57.421 58.200 0.010 0.000 1.035 2315 S CB 1.026 64.221 63.200 -0.009 0.000 0.962 2315 S HN 0.214 nan 8.310 nan 0.000 0.512 2316 Q N 1.913 121.768 119.800 0.093 0.000 2.771 2316 Q HA 0.271 4.612 4.340 0.000 0.000 0.247 2316 Q C -2.085 174.064 176.000 0.248 0.000 0.986 2316 Q CA -1.627 54.263 55.803 0.145 0.000 0.713 2316 Q CB 1.775 30.623 28.738 0.184 0.000 1.241 2316 Q HN 0.631 nan 8.270 nan 0.000 0.488 2317 P HA -0.033 nan 4.420 nan 0.000 0.226 2317 P C 0.025 177.450 177.300 0.209 0.000 1.153 2317 P CA 0.690 63.917 63.100 0.212 0.000 0.777 2317 P CB 0.845 32.614 31.700 0.114 0.000 0.794 2318 L N -1.138 120.116 121.223 0.053 0.000 2.465 2318 L HA 0.441 4.781 4.340 0.000 0.000 0.257 2318 L C -0.382 176.314 176.870 -0.291 0.000 0.988 2318 L CA -1.084 53.657 54.840 -0.165 0.000 0.827 2318 L CB 2.464 44.451 42.059 -0.119 0.000 1.397 2318 L HN -0.293 nan 8.230 nan 0.000 0.410 2319 L N 1.192 122.155 121.223 -0.432 0.000 2.287 2319 L HA 0.776 5.116 4.340 0.000 0.000 0.287 2319 L C 0.275 176.978 176.870 -0.277 0.000 1.022 2319 L CA -0.111 54.556 54.840 -0.287 0.000 0.814 2319 L CB 1.503 43.416 42.059 -0.243 0.000 1.217 2319 L HN 0.834 nan 8.230 nan 0.000 0.420 2320 G N 1.545 110.191 108.800 -0.255 0.000 3.085 2320 G HA2 0.366 4.326 3.960 0.000 0.000 0.264 2320 G HA3 0.366 4.326 3.960 0.000 0.000 0.264 2320 G C -0.810 173.946 174.900 -0.239 0.000 1.206 2320 G CA -0.323 44.488 45.100 -0.482 0.000 0.809 2320 G HN 0.347 nan 8.290 nan 0.000 0.592 2321 T N 0.638 115.086 114.554 -0.175 0.000 2.940 2321 T HA 0.435 4.785 4.350 0.000 0.000 0.309 2321 T C 0.424 175.114 174.700 -0.016 0.000 1.056 2321 T CA 0.387 62.520 62.100 0.054 0.000 1.137 2321 T CB 0.944 69.849 68.868 0.062 0.000 0.976 2321 T HN 1.297 nan 8.240 nan 0.000 0.547 2322 V N -0.105 119.805 119.914 -0.006 0.000 3.141 2322 V HA 0.611 4.731 4.120 0.000 0.000 0.312 2322 V C -0.655 175.400 176.094 -0.066 0.000 1.157 2322 V CA -1.398 60.867 62.300 -0.058 0.000 1.041 2322 V CB 1.835 33.609 31.823 -0.083 0.000 1.071 2322 V HN 0.612 nan 8.190 nan 0.000 0.441 2323 I N 3.718 124.244 120.570 -0.073 0.000 2.260 2323 I HA 0.252 4.422 4.170 0.000 0.000 0.297 2323 I C 0.998 177.070 176.117 -0.075 0.000 1.143 2323 I CA 0.059 61.316 61.300 -0.070 0.000 1.271 2323 I CB -0.197 37.765 38.000 -0.062 0.000 1.461 2323 I HN 0.970 nan 8.210 nan 0.000 0.530 2324 D N 3.846 124.195 120.400 -0.085 0.000 2.249 2324 D HA -0.025 4.615 4.640 0.000 0.000 0.205 2324 D C 1.425 177.683 176.300 -0.069 0.000 0.962 2324 D CA 1.167 55.108 54.000 -0.098 0.000 0.860 2324 D CB 0.442 41.154 40.800 -0.146 0.000 0.955 2324 D HN 0.654 nan 8.370 nan 0.000 0.505 2325 G N -0.188 108.580 108.800 -0.053 0.000 2.195 2325 G HA2 -0.256 3.704 3.960 0.000 0.000 0.224 2325 G HA3 -0.256 3.704 3.960 0.000 0.000 0.224 2325 G C 0.967 175.853 174.900 -0.024 0.000 0.990 2325 G CA 0.529 45.608 45.100 -0.036 0.000 0.639 2325 G HN 0.230 nan 8.290 nan 0.000 0.514 2326 M N -1.110 118.475 119.600 -0.026 0.000 3.058 2326 M HA 0.462 4.942 4.480 0.000 0.000 0.242 2326 M C 2.247 178.546 176.300 -0.002 0.000 1.512 2326 M CA 1.087 56.385 55.300 -0.005 0.000 1.274 2326 M CB -1.224 31.380 32.600 0.007 0.000 1.179 2326 M HN 0.244 nan 8.290 nan 0.000 0.573 2327 L N 0.679 121.892 121.223 -0.017 0.000 2.049 2327 L HA 0.158 4.498 4.340 0.000 0.000 0.203 2327 L C 0.347 177.196 176.870 -0.036 0.000 1.074 2327 L CA 1.472 56.303 54.840 -0.015 0.000 0.749 2327 L CB 0.114 42.160 42.059 -0.022 0.000 0.907 2327 L HN 0.115 nan 8.230 nan 0.000 0.439 2328 L N 0.169 121.361 121.223 -0.052 0.000 2.349 2328 L HA 0.254 4.594 4.340 0.000 0.000 0.278 2328 L C 0.386 177.228 176.870 -0.046 0.000 0.996 2328 L CA -0.395 54.410 54.840 -0.058 0.000 0.825 2328 L CB 1.889 43.901 42.059 -0.080 0.000 1.243 2328 L HN 0.142 nan 8.230 nan 0.000 0.412 2329 L N 1.817 123.019 121.223 -0.036 0.000 2.375 2329 L HA 0.194 4.535 4.340 0.000 0.000 0.215 2329 L C 0.550 177.402 176.870 -0.030 0.000 1.108 2329 L CA 0.756 55.578 54.840 -0.029 0.000 0.830 2329 L CB -0.194 41.853 42.059 -0.020 0.000 0.959 2329 L HN 0.596 nan 8.230 nan 0.000 0.457 2330 K N -0.751 119.629 120.400 -0.033 0.000 2.499 2330 K HA 0.339 4.659 4.320 0.000 0.000 0.277 2330 K C -0.440 176.135 176.600 -0.042 0.000 1.025 2330 K CA -0.687 55.581 56.287 -0.032 0.000 0.900 2330 K CB 1.548 34.035 32.500 -0.021 0.000 1.494 2330 K HN -0.147 nan 8.250 nan 0.000 0.442 2331 T N -1.464 113.064 114.554 -0.043 0.000 2.900 2331 T HA 0.086 4.436 4.350 0.000 0.000 0.307 2331 T C -2.025 172.643 174.700 -0.054 0.000 1.065 2331 T CA -1.043 61.023 62.100 -0.056 0.000 1.105 2331 T CB 0.586 69.420 68.868 -0.056 0.000 0.979 2331 T HN 0.162 nan 8.240 nan 0.000 0.544 2332 P HA -0.088 nan 4.420 nan 0.000 0.216 2332 P C 1.284 178.552 177.300 -0.054 0.000 1.150 2332 P CA 1.083 64.138 63.100 -0.076 0.000 0.843 2332 P CB 0.044 31.681 31.700 -0.104 0.000 0.787 2333 E N -0.291 119.877 120.200 -0.053 0.000 2.077 2333 E HA -0.192 4.158 4.350 0.000 0.000 0.193 2333 E C 1.933 178.530 176.600 -0.004 0.000 0.989 2333 E CA 1.221 57.601 56.400 -0.033 0.000 0.800 2333 E CB -0.657 29.017 29.700 -0.043 0.000 0.746 2333 E HN 0.422 nan 8.360 nan 0.000 0.452 2334 E N 0.232 120.427 120.200 -0.008 0.000 2.107 2334 E HA -0.100 4.250 4.350 0.000 0.000 0.191 2334 E C 2.060 178.679 176.600 0.032 0.000 0.982 2334 E CA 0.626 57.031 56.400 0.007 0.000 0.809 2334 E CB -0.080 29.617 29.700 -0.005 0.000 0.756 2334 E HN 0.226 nan 8.360 nan 0.000 0.459 2335 L N 0.874 122.119 121.223 0.036 0.000 2.131 2335 L HA -0.219 4.122 4.340 0.000 0.000 0.210 2335 L C 2.428 179.420 176.870 0.203 0.000 1.092 2335 L CA 1.134 56.026 54.840 0.088 0.000 0.759 2335 L CB -0.328 41.769 42.059 0.064 0.000 0.903 2335 L HN 0.154 nan 8.230 nan 0.000 0.435 2336 Q N -0.327 119.567 119.800 0.156 0.000 2.123 2336 Q HA -0.108 4.232 4.340 0.000 0.000 0.199 2336 Q C 2.488 178.621 176.000 0.222 0.000 0.966 2336 Q CA 1.293 57.245 55.803 0.249 0.000 0.845 2336 Q CB -0.161 28.626 28.738 0.081 0.000 0.907 2336 Q HN 0.551 nan 8.270 nan 0.000 0.439 2337 A N 1.664 124.552 122.820 0.113 0.000 1.898 2337 A HA -0.187 4.133 4.320 0.000 0.000 0.216 2337 A C 1.582 179.198 177.584 0.053 0.000 1.181 2337 A CA 1.256 53.336 52.037 0.072 0.000 0.620 2337 A CB -0.279 18.745 19.000 0.040 0.000 0.819 2337 A HN 0.312 nan 8.150 nan 0.000 0.442 2338 E N -0.477 119.751 120.200 0.046 0.000 2.494 2338 E HA 0.056 4.406 4.350 0.000 0.000 0.193 2338 E C -0.241 176.334 176.600 -0.042 0.000 1.074 2338 E CA -0.243 56.158 56.400 0.003 0.000 0.867 2338 E CB -0.129 29.571 29.700 -0.001 0.000 0.924 2338 E HN 0.448 nan 8.360 nan 0.000 0.502 2339 R N 1.354 121.849 120.500 -0.008 0.000 3.266 2339 R HA -0.201 4.140 4.340 0.000 0.000 0.245 2339 R C -0.377 175.607 176.300 -0.528 0.000 0.941 2339 R CA 0.284 56.236 56.100 -0.246 0.000 0.638 2339 R CB -1.811 28.351 30.300 -0.230 0.000 1.019 2339 R HN 0.097 nan 8.270 nan 0.000 0.462 2340 N N 1.228 119.775 118.700 -0.254 0.000 2.609 2340 N HA 0.412 5.152 4.740 0.000 0.000 0.234 2340 N C -1.154 174.314 175.510 -0.069 0.000 1.001 2340 N CA -0.556 52.369 53.050 -0.208 0.000 0.926 2340 N CB 0.465 38.911 38.487 -0.068 0.000 1.130 2340 N HN 0.234 nan 8.380 nan 0.000 0.510 2341 F N -0.852 119.030 119.950 -0.113 0.000 2.878 2341 F HA 0.318 4.846 4.527 0.000 0.000 0.322 2341 F C -1.115 174.601 175.800 -0.140 0.000 1.154 2341 F CA -1.245 56.631 58.000 -0.207 0.000 0.896 2341 F CB 0.462 39.386 39.000 -0.125 0.000 1.313 2341 F HN 0.063 nan 8.300 nan 0.000 0.451 2342 H N 0.931 120.176 119.070 0.292 0.000 3.138 2342 H HA 0.215 4.771 4.556 0.000 0.000 0.275 2342 H C 0.665 176.149 175.328 0.262 0.000 0.997 2342 H CA 0.528 56.649 56.048 0.123 0.000 1.460 2342 H CB 0.211 29.950 29.762 -0.039 0.000 1.524 2342 H HN 0.718 nan 8.280 nan 0.000 0.532 2343 T N 0.387 115.054 114.554 0.188 0.000 3.467 2343 T HA 0.310 4.660 4.350 0.000 0.000 0.232 2343 T C 0.813 175.616 174.700 0.171 0.000 0.876 2343 T CA -0.721 61.443 62.100 0.107 0.000 0.939 2343 T CB -1.426 67.397 68.868 -0.075 0.000 1.165 2343 T HN 0.346 nan 8.240 nan 0.000 0.615 2344 V N -2.262 117.812 119.914 0.267 0.000 3.036 2344 V HA 0.605 4.725 4.120 0.000 0.000 0.308 2344 V C -2.718 173.589 176.094 0.355 0.000 1.070 2344 V CA -3.123 59.295 62.300 0.197 0.000 1.056 2344 V CB 0.375 32.251 31.823 0.088 0.000 1.084 2344 V HN 0.077 nan 8.190 nan 0.000 0.471 2345 P HA 0.145 nan 4.420 nan 0.000 0.265 2345 P C -1.345 176.290 177.300 0.559 0.000 1.193 2345 P CA 0.651 63.959 63.100 0.346 0.000 0.765 2345 P CB -0.106 31.611 31.700 0.028 0.000 0.823 2346 Y N 3.426 123.976 120.300 0.416 0.000 2.354 2346 Y HA 0.474 5.024 4.550 0.000 0.000 0.330 2346 Y C -0.763 175.145 175.900 0.013 0.000 1.011 2346 Y CA -1.415 56.764 58.100 0.132 0.000 1.099 2346 Y CB 1.437 39.629 38.460 -0.447 0.000 1.179 2346 Y HN 0.214 nan 8.280 nan 0.000 0.442 2347 M N 7.941 127.499 119.600 -0.070 0.000 2.149 2347 M HA 0.558 5.039 4.480 0.000 0.000 0.342 2347 M C -2.160 173.870 176.300 -0.451 0.000 1.068 2347 M CA -0.636 54.384 55.300 -0.467 0.000 0.991 2347 M CB 0.835 32.810 32.600 -1.041 0.000 1.596 2347 M HN 0.425 nan 8.290 nan 0.000 0.439 2348 V N 4.731 124.335 119.914 -0.516 0.000 2.448 2348 V HA 0.885 5.005 4.120 0.000 0.000 0.295 2348 V C 0.275 176.035 176.094 -0.556 0.000 1.025 2348 V CA -0.540 61.426 62.300 -0.557 0.000 0.859 2348 V CB 1.477 32.880 31.823 -0.700 0.000 0.988 2348 V HN 1.007 nan 8.190 nan 0.000 0.431 2349 G N 4.003 112.402 108.800 -0.669 0.000 2.672 2349 G HA2 0.895 4.856 3.960 0.000 0.000 0.292 2349 G HA3 0.895 4.856 3.960 0.000 0.000 0.292 2349 G C -1.271 173.265 174.900 -0.606 0.000 1.375 2349 G CA -0.671 43.650 45.100 -1.297 0.000 0.890 2349 G HN 0.919 nan 8.290 nan 0.000 0.476 2350 I N -2.305 118.020 120.570 -0.408 0.000 3.191 2350 I HA 0.664 4.834 4.170 0.000 0.000 0.313 2350 I C -1.378 174.839 176.117 0.167 0.000 1.193 2350 I CA -1.408 59.865 61.300 -0.045 0.000 0.968 2350 I CB 2.520 40.508 38.000 -0.020 0.000 1.262 2350 I HN 0.231 nan 8.210 nan 0.000 0.456 2351 N N 1.754 120.564 118.700 0.183 0.000 2.466 2351 N HA 0.316 5.056 4.740 0.000 0.000 0.294 2351 N C 0.293 175.930 175.510 0.212 0.000 1.129 2351 N CA -0.769 52.452 53.050 0.285 0.000 0.931 2351 N CB 1.813 40.467 38.487 0.279 0.000 1.193 2351 N HN 0.614 nan 8.380 nan 0.000 0.500 2352 K N 0.597 121.130 120.400 0.222 0.000 2.074 2352 K HA -0.113 4.208 4.320 0.000 0.000 0.209 2352 K C -0.100 176.593 176.600 0.155 0.000 1.048 2352 K CA 1.814 58.200 56.287 0.165 0.000 0.926 2352 K CB 0.111 32.693 32.500 0.137 0.000 0.713 2352 K HN 0.576 nan 8.250 nan 0.000 0.444 2353 Q N 0.155 120.056 119.800 0.168 0.000 2.943 2353 Q HA 0.113 4.453 4.340 0.000 0.000 0.327 2353 Q C -0.202 175.904 176.000 0.177 0.000 0.937 2353 Q CA -0.307 55.597 55.803 0.169 0.000 0.914 2353 Q CB 1.370 30.206 28.738 0.162 0.000 1.339 2353 Q HN 0.151 nan 8.270 nan 0.000 0.417 2354 E N 0.191 120.481 120.200 0.150 0.000 2.171 2354 E HA -0.188 4.162 4.350 0.000 0.000 0.197 2354 E C 0.453 177.136 176.600 0.138 0.000 0.997 2354 E CA 1.327 57.769 56.400 0.070 0.000 0.810 2354 E CB 0.132 29.783 29.700 -0.082 0.000 0.738 2354 E HN 0.442 nan 8.360 nan 0.000 0.467 2355 F N 0.102 120.072 119.950 0.033 0.000 2.772 2355 F HA 0.302 4.829 4.527 0.000 0.000 0.302 2355 F C 1.649 177.471 175.800 0.038 0.000 1.136 2355 F CA -0.238 57.760 58.000 -0.003 0.000 1.322 2355 F CB 0.586 39.544 39.000 -0.069 0.000 0.967 2355 F HN -0.086 nan 8.300 nan 0.000 0.513 2356 G N -0.152 108.737 108.800 0.147 0.000 2.421 2356 G HA2 -0.237 3.724 3.960 0.000 0.000 0.217 2356 G HA3 -0.237 3.724 3.960 0.000 0.000 0.217 2356 G C 0.999 176.037 174.900 0.232 0.000 1.143 2356 G CA 1.265 46.474 45.100 0.182 0.000 0.784 2356 G HN 0.643 nan 8.290 nan 0.000 0.541 2357 W N -1.845 119.413 121.300 -0.070 0.000 4.873 2357 W HA 0.191 4.852 4.660 0.001 0.000 0.154 2357 W C 1.641 178.103 176.519 -0.096 0.000 0.964 2357 W CA 0.185 57.490 57.345 -0.066 0.000 1.703 2357 W CB -0.631 28.832 29.460 0.005 0.000 0.507 2357 W HN -0.024 nan 8.180 nan 0.000 1.065 2358 L N 2.104 123.370 121.223 0.072 0.000 1.978 2358 L HA -0.177 4.163 4.340 0.000 0.000 0.218 2358 L C 2.112 178.778 176.870 -0.340 0.000 1.075 2358 L CA 2.970 57.719 54.840 -0.152 0.000 0.767 2358 L CB -1.116 41.095 42.059 0.253 0.000 0.890 2358 L HN 0.228 nan 8.230 nan 0.000 0.434 2359 I N 0.107 120.496 120.570 -0.303 0.000 2.142 2359 I HA -0.199 3.971 4.170 0.000 0.000 0.240 2359 I C -0.365 175.437 176.117 -0.525 0.000 1.078 2359 I CA 1.566 62.638 61.300 -0.381 0.000 1.343 2359 I CB -1.868 35.879 38.000 -0.422 0.000 1.046 2359 I HN 0.326 nan 8.210 nan 0.000 0.405 2360 P HA -0.172 nan 4.420 nan 0.000 0.218 2360 P C 1.137 178.252 177.300 -0.310 0.000 1.149 2360 P CA 1.333 64.091 63.100 -0.568 0.000 0.817 2360 P CB -0.085 31.217 31.700 -0.663 0.000 0.785 2364 M N 0.034 119.598 119.600 -0.060 0.000 2.431 2364 M HA 0.209 4.689 4.480 0.000 0.000 0.237 2364 M C 0.520 176.857 176.300 0.062 0.000 1.130 2364 M CA 0.133 55.454 55.300 0.036 0.000 1.002 2364 M CB 0.538 33.204 32.600 0.110 0.000 1.524 2364 M HN 0.192 nan 8.290 nan 0.000 0.482 2365 S N 0.393 116.104 115.700 0.019 0.000 3.682 2365 S HA -0.202 4.268 4.470 0.000 0.000 0.354 2365 S C -0.198 174.447 174.600 0.076 0.000 1.034 2365 S CA 0.324 58.539 58.200 0.026 0.000 1.084 2365 S CB -2.108 61.098 63.200 0.010 0.000 0.903 2365 S HN 0.582 nan 8.310 nan 0.000 0.470 2366 Y N 3.001 123.298 120.300 -0.005 0.000 2.610 2366 Y HA 0.252 4.802 4.550 0.001 0.000 0.332 2366 Y C -1.369 174.568 175.900 0.061 0.000 1.201 2366 Y CA -1.058 57.080 58.100 0.063 0.000 1.465 2366 Y CB 0.596 39.119 38.460 0.105 0.000 1.283 2366 Y HN 0.113 nan 8.280 nan 0.000 0.563 2367 P HA 0.147 nan 4.420 nan 0.000 0.225 2367 P C -1.384 175.897 177.300 -0.032 0.000 1.813 2367 P CA 0.079 63.105 63.100 -0.123 0.000 1.013 2367 P CB -0.030 31.565 31.700 -0.175 0.000 1.961 2368 L N 0.818 122.125 121.223 0.139 0.000 2.406 2368 L HA 0.472 4.812 4.340 0.000 0.000 0.272 2368 L C 0.596 177.560 176.870 0.157 0.000 0.980 2368 L CA 0.084 55.045 54.840 0.201 0.000 0.831 2368 L CB 2.251 44.567 42.059 0.428 0.000 1.253 2368 L HN -0.021 nan 8.230 nan 0.000 0.406 2369 S N 1.747 117.511 115.700 0.106 0.000 2.800 2369 S HA 0.231 4.701 4.470 0.000 0.000 0.266 2369 S C 0.792 175.438 174.600 0.077 0.000 1.029 2369 S CA -0.163 58.093 58.200 0.093 0.000 1.302 2369 S CB 0.143 63.385 63.200 0.070 0.000 1.212 2369 S HN 0.698 nan 8.310 nan 0.000 0.683 2370 E N 1.054 121.295 120.200 0.069 0.000 2.045 2370 E HA 0.281 4.631 4.350 0.000 0.000 0.190 2370 E C 1.719 178.356 176.600 0.062 0.000 0.968 2370 E CA 1.356 57.789 56.400 0.055 0.000 0.813 2370 E CB -0.124 29.599 29.700 0.038 0.000 0.780 2370 E HN 0.609 nan 8.360 nan 0.000 0.455 2371 G N 0.899 109.743 108.800 0.073 0.000 2.391 2371 G HA2 -0.179 3.781 3.960 0.000 0.000 0.204 2371 G HA3 -0.179 3.781 3.960 0.000 0.000 0.204 2371 G C 0.134 175.074 174.900 0.067 0.000 1.012 2371 G CA 0.176 45.322 45.100 0.077 0.000 0.651 2371 G HN 0.244 nan 8.290 nan 0.000 0.494 2372 Q N 0.535 120.365 119.800 0.050 0.000 2.316 2372 Q HA 0.800 5.140 4.340 0.000 0.000 0.264 2372 Q C -1.464 174.552 176.000 0.027 0.000 0.987 2372 Q CA -0.930 54.897 55.803 0.040 0.000 0.852 2372 Q CB 2.749 31.506 28.738 0.031 0.000 1.287 2372 Q HN 0.686 nan 8.270 nan 0.000 0.448 2373 L N 3.087 124.322 121.223 0.020 0.000 2.409 2373 L HA 0.369 4.709 4.340 0.000 0.000 0.272 2373 L C -1.122 175.739 176.870 -0.015 0.000 0.980 2373 L CA -0.240 54.589 54.840 -0.018 0.000 0.826 2373 L CB 1.825 43.852 42.059 -0.054 0.000 1.268 2373 L HN 0.774 nan 8.230 nan 0.000 0.407 2374 D N 3.162 123.547 120.400 -0.025 0.000 2.312 2374 D HA 0.115 4.755 4.640 0.000 0.000 0.248 2374 D C 0.105 176.392 176.300 -0.021 0.000 1.086 2374 D CA -0.484 53.510 54.000 -0.011 0.000 0.948 2374 D CB 1.214 42.010 40.800 -0.007 0.000 1.162 2374 D HN 0.652 nan 8.370 nan 0.000 0.446 2375 Q N 0.167 119.970 119.800 0.005 0.000 2.124 2375 Q HA -0.182 4.159 4.340 0.000 0.000 0.202 2375 Q C 2.029 178.035 176.000 0.010 0.000 0.977 2375 Q CA 1.210 57.024 55.803 0.019 0.000 0.850 2375 Q CB -0.031 28.732 28.738 0.041 0.000 0.901 2375 Q HN 0.533 nan 8.270 nan 0.000 0.429 2376 K N 0.353 120.756 120.400 0.005 0.000 2.032 2376 K HA -0.159 4.161 4.320 0.000 0.000 0.209 2376 K C 1.981 178.578 176.600 -0.004 0.000 1.048 2376 K CA 1.775 58.066 56.287 0.006 0.000 0.927 2376 K CB 0.008 32.509 32.500 0.003 0.000 0.712 2376 K HN 0.092 nan 8.250 nan 0.000 0.441 2377 T N 0.670 115.206 114.554 -0.030 0.000 2.788 2377 T HA -0.103 4.248 4.350 0.000 0.000 0.268 2377 T C 1.847 176.483 174.700 -0.107 0.000 1.044 2377 T CA 1.188 63.255 62.100 -0.055 0.000 1.139 2377 T CB -0.301 68.525 68.868 -0.070 0.000 0.867 2377 T HN 0.421 nan 8.240 nan 0.000 0.454 2378 A N 1.836 124.558 122.820 -0.164 0.000 1.883 2378 A HA -0.099 4.221 4.320 0.000 0.000 0.217 2378 A C 2.358 179.945 177.584 0.004 0.000 1.186 2378 A CA 1.632 53.485 52.037 -0.306 0.000 0.624 2378 A CB -0.717 18.158 19.000 -0.208 0.000 0.822 2378 A HN 0.462 nan 8.150 nan 0.000 0.444 2379 M N -0.373 119.276 119.600 0.082 0.000 2.117 2379 M HA -0.138 4.342 4.480 0.000 0.000 0.262 2379 M C 2.405 178.819 176.300 0.191 0.000 1.065 2379 M CA 1.779 57.173 55.300 0.158 0.000 1.114 2379 M CB -0.568 32.093 32.600 0.102 0.000 1.361 2379 M HN 0.415 nan 8.290 nan 0.000 0.408 2380 S N 1.034 116.809 115.700 0.127 0.000 2.368 2380 S HA -0.055 4.415 4.470 0.000 0.000 0.225 2380 S C 1.911 176.628 174.600 0.195 0.000 1.030 2380 S CA 1.109 59.405 58.200 0.160 0.000 0.999 2380 S CB -0.381 62.869 63.200 0.083 0.000 0.844 2380 S HN 0.391 nan 8.310 nan 0.000 0.459 2381 L N 0.575 121.874 121.223 0.126 0.000 2.093 2381 L HA -0.074 4.266 4.340 0.000 0.000 0.208 2381 L C 2.340 179.421 176.870 0.353 0.000 1.085 2381 L CA 0.694 55.628 54.840 0.157 0.000 0.755 2381 L CB -0.411 41.684 42.059 0.061 0.000 0.904 2381 L HN 0.270 nan 8.230 nan 0.000 0.435 2382 L N -0.682 120.815 121.223 0.456 0.000 2.093 2382 L HA -0.240 4.101 4.340 0.000 0.000 0.208 2382 L C 2.171 179.279 176.870 0.396 0.000 1.085 2382 L CA 1.678 56.789 54.840 0.452 0.000 0.755 2382 L CB -0.632 41.699 42.059 0.453 0.000 0.904 2382 L HN 0.358 nan 8.230 nan 0.000 0.435 2383 W N 0.199 121.610 121.300 0.186 0.000 2.379 2383 W HA -0.206 4.454 4.660 0.000 0.000 0.307 2383 W C 1.950 178.567 176.519 0.162 0.000 1.200 2383 W CA 0.746 58.191 57.345 0.166 0.000 1.297 2383 W CB 0.105 29.628 29.460 0.106 0.000 1.140 2383 W HN 0.016 nan 8.180 nan 0.000 0.507 2384 K N 0.618 121.036 120.400 0.030 0.000 2.280 2384 K HA -0.071 4.250 4.320 0.000 0.000 0.202 2384 K C 1.711 178.282 176.600 -0.049 0.000 1.047 2384 K CA 1.115 57.331 56.287 -0.118 0.000 0.942 2384 K CB -0.584 31.890 32.500 -0.043 0.000 0.739 2384 K HN 0.039 nan 8.250 nan 0.000 0.457 2385 S N 0.639 116.384 115.700 0.074 0.000 2.631 2385 S HA -0.014 4.456 4.470 0.000 0.000 0.217 2385 S C 1.221 175.835 174.600 0.023 0.000 0.958 2385 S CA -0.320 57.944 58.200 0.106 0.000 0.920 2385 S CB -0.303 63.008 63.200 0.184 0.000 0.776 2385 S HN 0.284 nan 8.310 nan 0.000 0.517 2386 Y N 4.002 124.213 120.300 -0.148 0.000 2.096 2386 Y HA -0.220 4.330 4.550 0.001 0.000 0.278 2386 Y C -0.728 175.094 175.900 -0.130 0.000 1.192 2386 Y CA 2.199 60.198 58.100 -0.168 0.000 1.143 2386 Y CB -1.200 37.026 38.460 -0.390 0.000 0.963 2386 Y HN 0.262 nan 8.280 nan 0.000 0.505 2387 P HA -0.197 nan 4.420 nan 0.000 0.219 2387 P C 1.459 178.666 177.300 -0.154 0.000 1.146 2387 P CA 1.862 64.926 63.100 -0.060 0.000 0.808 2387 P CB -0.157 31.550 31.700 0.011 0.000 0.779 2388 L N -0.831 120.304 121.223 -0.147 0.000 2.202 2388 L HA -0.012 4.328 4.340 0.000 0.000 0.205 2388 L C 2.463 179.151 176.870 -0.304 0.000 1.083 2388 L CA 1.029 55.753 54.840 -0.194 0.000 0.790 2388 L CB -0.417 41.556 42.059 -0.143 0.000 0.942 2388 L HN -0.099 nan 8.230 nan 0.000 0.452 2389 V N -6.758 112.969 119.914 -0.311 0.000 3.612 2389 V HA 0.158 4.279 4.120 0.000 0.000 0.268 2389 V C 1.081 176.977 176.094 -0.330 0.000 1.365 2389 V CA -0.417 61.690 62.300 -0.323 0.000 1.044 2389 V CB 0.061 31.719 31.823 -0.275 0.000 0.820 2389 V HN 0.429 nan 8.190 nan 0.000 0.444 2390 C N 1.273 120.177 119.300 -0.660 0.000 4.454 2390 C HA -0.153 4.307 4.460 0.000 0.000 0.301 2390 C C 0.436 175.273 174.990 -0.256 0.000 1.366 2390 C CA 0.192 58.653 59.018 -0.928 0.000 2.016 2390 C CB -3.010 24.359 27.740 -0.619 0.000 1.253 2390 C HN 0.677 nan 8.230 nan 0.000 0.770 2391 I N 1.179 121.780 120.570 0.053 0.000 2.328 2391 I HA 0.486 4.656 4.170 0.000 0.000 0.287 2391 I C 1.005 177.456 176.117 0.556 0.000 1.012 2391 I CA 0.052 61.583 61.300 0.385 0.000 1.195 2391 I CB 0.969 39.178 38.000 0.349 0.000 1.350 2391 I HN 0.477 nan 8.210 nan 0.000 0.464 2392 A N 5.847 128.974 122.820 0.513 0.000 2.586 2392 A HA -0.062 4.259 4.320 0.000 0.000 0.231 2392 A C 1.542 179.322 177.584 0.327 0.000 1.055 2392 A CA 0.227 52.543 52.037 0.465 0.000 0.756 2392 A CB 0.164 19.334 19.000 0.283 0.000 0.988 2392 A HN 0.915 nan 8.150 nan 0.000 0.509 2393 K N 0.749 121.230 120.400 0.136 0.000 2.152 2393 K HA -0.207 4.113 4.320 0.000 0.000 0.206 2393 K C 1.720 178.258 176.600 -0.103 0.000 1.048 2393 K CA 2.022 58.173 56.287 -0.227 0.000 0.933 2393 K CB -0.109 31.858 32.500 -0.888 0.000 0.721 2393 K HN 0.909 nan 8.250 nan 0.000 0.447 2394 E N 0.146 120.322 120.200 -0.040 0.000 2.338 2394 E HA -0.163 4.187 4.350 0.000 0.000 0.197 2394 E C 1.472 178.085 176.600 0.021 0.000 1.007 2394 E CA 0.782 57.170 56.400 -0.020 0.000 0.849 2394 E CB -0.078 29.619 29.700 -0.005 0.000 0.774 2394 E HN 0.350 nan 8.360 nan 0.000 0.506 2395 L N 0.507 121.770 121.223 0.067 0.000 2.585 2395 L HA 0.094 4.434 4.340 0.000 0.000 0.226 2395 L C 1.972 178.905 176.870 0.105 0.000 1.113 2395 L CA -0.352 54.531 54.840 0.073 0.000 0.876 2395 L CB -0.067 42.043 42.059 0.085 0.000 1.072 2395 L HN 0.115 nan 8.230 nan 0.000 0.468 2396 I N 1.029 121.677 120.570 0.130 0.000 2.163 2396 I HA -0.172 3.998 4.170 0.000 0.000 0.243 2396 I C 0.048 176.248 176.117 0.138 0.000 1.085 2396 I CA 1.825 63.227 61.300 0.169 0.000 1.347 2396 I CB -2.318 35.782 38.000 0.168 0.000 1.044 2396 I HN 0.150 nan 8.210 nan 0.000 0.408 2397 P HA -0.178 nan 4.420 nan 0.000 0.214 2397 P C 1.589 178.942 177.300 0.087 0.000 1.163 2397 P CA 1.627 64.772 63.100 0.075 0.000 0.889 2397 P CB -0.062 31.662 31.700 0.039 0.000 0.790 2398 E N -0.291 119.958 120.200 0.081 0.000 2.038 2398 E HA -0.205 4.146 4.350 0.000 0.000 0.195 2398 E C 2.167 178.868 176.600 0.167 0.000 1.000 2398 E CA 1.391 57.851 56.400 0.099 0.000 0.803 2398 E CB -0.850 28.894 29.700 0.073 0.000 0.750 2398 E HN 0.135 nan 8.360 nan 0.000 0.448 2399 A N 1.145 124.079 122.820 0.190 0.000 1.892 2399 A HA -0.237 4.083 4.320 0.000 0.000 0.218 2399 A C 2.440 180.174 177.584 0.250 0.000 1.188 2399 A CA 2.292 54.481 52.037 0.253 0.000 0.631 2399 A CB -1.097 18.069 19.000 0.275 0.000 0.822 2399 A HN 0.232 nan 8.150 nan 0.000 0.447 2400 T N -0.727 113.958 114.554 0.219 0.000 2.737 2400 T HA -0.111 4.240 4.350 0.000 0.000 0.265 2400 T C 1.927 176.727 174.700 0.167 0.000 1.038 2400 T CA 1.640 63.874 62.100 0.224 0.000 1.144 2400 T CB -0.246 68.744 68.868 0.203 0.000 0.866 2400 T HN 0.606 nan 8.240 nan 0.000 0.434 2401 E N 1.448 121.711 120.200 0.104 0.000 2.110 2401 E HA -0.132 4.218 4.350 0.000 0.000 0.193 2401 E C 2.074 178.672 176.600 -0.003 0.000 0.988 2401 E CA 1.299 57.729 56.400 0.050 0.000 0.804 2401 E CB -0.212 29.506 29.700 0.030 0.000 0.745 2401 E HN 0.262 nan 8.360 nan 0.000 0.458 2402 K N -0.834 119.535 120.400 -0.051 0.000 2.063 2402 K HA -0.164 4.157 4.320 0.000 0.000 0.208 2402 K C 1.803 178.238 176.600 -0.274 0.000 1.048 2402 K CA 1.670 57.787 56.287 -0.284 0.000 0.928 2402 K CB -0.580 31.504 32.500 -0.693 0.000 0.713 2402 K HN 0.260 nan 8.250 nan 0.000 0.442 2403 Y N -0.384 119.821 120.300 -0.159 0.000 2.347 2403 Y HA 0.159 4.709 4.550 0.001 0.000 0.294 2403 Y C 1.697 177.601 175.900 0.007 0.000 1.117 2403 Y CA 0.899 58.962 58.100 -0.061 0.000 1.184 2403 Y CB 0.323 38.806 38.460 0.039 0.000 1.047 2403 Y HN -0.062 nan 8.280 nan 0.000 0.546 2404 L N -2.085 119.250 121.223 0.187 0.000 2.556 2404 L HA 0.240 4.580 4.340 0.000 0.000 0.226 2404 L C 2.243 179.153 176.870 0.067 0.000 1.089 2404 L CA 0.650 55.573 54.840 0.137 0.000 0.864 2404 L CB -0.584 41.574 42.059 0.165 0.000 1.067 2404 L HN 0.168 nan 8.230 nan 0.000 0.477 2405 G N 0.408 109.230 108.800 0.037 0.000 2.586 2405 G HA2 -0.122 3.838 3.960 0.000 0.000 0.215 2405 G HA3 -0.122 3.838 3.960 0.000 0.000 0.215 2405 G C 1.279 176.175 174.900 -0.006 0.000 1.128 2405 G CA 0.629 45.736 45.100 0.011 0.000 0.774 2405 G HN 0.469 nan 8.290 nan 0.000 0.543 2406 G N -1.131 107.661 108.800 -0.013 0.000 3.314 2406 G HA2 0.396 4.356 3.960 0.000 0.000 0.238 2406 G HA3 0.396 4.356 3.960 0.000 0.000 0.238 2406 G C 0.129 175.027 174.900 -0.003 0.000 1.184 2406 G CA 0.673 45.761 45.100 -0.020 0.000 0.806 2406 G HN 0.505 nan 8.290 nan 0.000 0.536 2407 T N -1.523 113.038 114.554 0.011 0.000 3.128 2407 T HA 0.191 4.541 4.350 0.000 0.000 0.363 2407 T C -1.420 173.294 174.700 0.024 0.000 1.610 2407 T CA -0.544 61.566 62.100 0.017 0.000 1.126 2407 T CB 1.696 70.578 68.868 0.023 0.000 1.416 2407 T HN -0.129 nan 8.240 nan 0.000 0.480 2408 D N 1.812 122.224 120.400 0.021 0.000 2.342 2408 D HA 0.085 4.725 4.640 0.000 0.000 0.221 2408 D C -0.098 176.217 176.300 0.025 0.000 1.101 2408 D CA -0.158 53.855 54.000 0.022 0.000 0.837 2408 D CB 0.389 41.198 40.800 0.016 0.000 0.938 2408 D HN 0.536 nan 8.370 nan 0.000 0.508 2409 D N 0.987 121.405 120.400 0.029 0.000 2.383 2409 D HA -0.044 4.596 4.640 0.000 0.000 0.245 2409 D C 1.530 177.854 176.300 0.040 0.000 1.263 2409 D CA 0.120 54.139 54.000 0.032 0.000 0.936 2409 D CB 0.931 41.751 40.800 0.033 0.000 1.053 2409 D HN 0.100 nan 8.370 nan 0.000 0.507 2410 T N 0.239 114.814 114.554 0.035 0.000 2.802 2410 T HA -0.183 4.167 4.350 0.000 0.000 0.269 2410 T C 1.927 176.657 174.700 0.050 0.000 1.062 2410 T CA 1.015 63.138 62.100 0.038 0.000 1.133 2410 T CB -0.185 68.699 68.868 0.028 0.000 0.852 2410 T HN 0.227 nan 8.240 nan 0.000 0.485 2411 V N 1.381 121.325 119.914 0.051 0.000 2.488 2411 V HA -0.042 4.078 4.120 0.000 0.000 0.246 2411 V C 2.703 178.843 176.094 0.077 0.000 1.046 2411 V CA 1.488 63.824 62.300 0.061 0.000 1.053 2411 V CB -0.485 31.368 31.823 0.051 0.000 0.679 2411 V HN 0.491 nan 8.190 nan 0.000 0.458 2412 K N 0.098 120.540 120.400 0.070 0.000 2.155 2412 K HA -0.086 4.234 4.320 0.000 0.000 0.203 2412 K C 2.204 178.868 176.600 0.108 0.000 1.052 2412 K CA 0.904 57.239 56.287 0.081 0.000 0.948 2412 K CB -0.129 32.409 32.500 0.063 0.000 0.728 2412 K HN 0.393 nan 8.250 nan 0.000 0.448 2413 K N 1.194 121.655 120.400 0.102 0.000 2.097 2413 K HA -0.144 4.177 4.320 0.000 0.000 0.206 2413 K C 2.169 178.876 176.600 0.180 0.000 1.049 2413 K CA 0.996 57.361 56.287 0.129 0.000 0.933 2413 K CB 0.006 32.561 32.500 0.091 0.000 0.717 2413 K HN 0.018 nan 8.250 nan 0.000 0.442 2414 K N 1.680 122.170 120.400 0.150 0.000 2.026 2414 K HA -0.207 4.113 4.320 0.000 0.000 0.208 2414 K C 1.176 177.930 176.600 0.257 0.000 1.048 2414 K CA 1.857 58.258 56.287 0.191 0.000 0.929 2414 K CB -0.142 32.441 32.500 0.138 0.000 0.713 2414 K HN 0.078 nan 8.250 nan 0.000 0.439 2415 D N 1.037 121.556 120.400 0.198 0.000 2.178 2415 D HA -0.088 4.552 4.640 0.000 0.000 0.202 2415 D C 2.127 178.555 176.300 0.213 0.000 0.974 2415 D CA 0.790 54.906 54.000 0.192 0.000 0.841 2415 D CB 0.025 40.912 40.800 0.144 0.000 0.953 2415 D HN 0.256 nan 8.370 nan 0.000 0.478 2416 L N -0.130 121.228 121.223 0.226 0.000 2.217 2416 L HA -0.098 4.243 4.340 0.000 0.000 0.211 2416 L C 2.272 179.318 176.870 0.293 0.000 1.107 2416 L CA 0.320 55.319 54.840 0.265 0.000 0.783 2416 L CB -0.264 41.944 42.059 0.249 0.000 0.919 2416 L HN -0.047 nan 8.230 nan 0.000 0.442 2417 F N 0.729 120.762 119.950 0.138 0.000 2.206 2417 F HA -0.143 4.384 4.527 0.000 0.000 0.298 2417 F C 2.095 177.921 175.800 0.045 0.000 1.090 2417 F CA 1.343 59.396 58.000 0.089 0.000 1.323 2417 F CB -0.066 39.003 39.000 0.115 0.000 1.028 2417 F HN -0.122 nan 8.300 nan 0.000 0.492 2418 L N -0.304 120.997 121.223 0.130 0.000 2.141 2418 L HA -0.169 4.171 4.340 0.000 0.000 0.209 2418 L C 1.962 178.828 176.870 -0.007 0.000 1.094 2418 L CA 1.053 55.934 54.840 0.068 0.000 0.763 2418 L CB -0.797 41.404 42.059 0.237 0.000 0.908 2418 L HN 0.048 nan 8.230 nan 0.000 0.437 2419 D N 0.220 120.655 120.400 0.058 0.000 2.144 2419 D HA -0.151 4.489 4.640 0.000 0.000 0.200 2419 D C 2.065 178.341 176.300 -0.040 0.000 0.978 2419 D CA 0.924 54.985 54.000 0.102 0.000 0.833 2419 D CB -0.119 40.827 40.800 0.242 0.000 0.961 2419 D HN 0.144 nan 8.370 nan 0.000 0.470 2420 L N 1.050 122.092 121.223 -0.302 0.000 2.012 2420 L HA -0.149 4.191 4.340 0.000 0.000 0.210 2420 L C 1.871 178.392 176.870 -0.581 0.000 1.073 2420 L CA 1.607 55.989 54.840 -0.764 0.000 0.748 2420 L CB -0.919 40.590 42.059 -0.918 0.000 0.891 2420 L HN -0.061 nan 8.230 nan 0.000 0.431 2421 I N 0.608 120.785 120.570 -0.656 0.000 2.226 2421 I HA -0.230 3.940 4.170 0.000 0.000 0.245 2421 I C 2.758 178.571 176.117 -0.507 0.000 1.100 2421 I CA 1.461 62.309 61.300 -0.753 0.000 1.374 2421 I CB -1.949 35.295 38.000 -1.261 0.000 1.057 2421 I HN 0.405 nan 8.210 nan 0.000 0.413 2422 A N 0.622 123.291 122.820 -0.251 0.000 1.902 2422 A HA -0.218 4.102 4.320 0.000 0.000 0.217 2422 A C 1.993 179.587 177.584 0.016 0.000 1.181 2422 A CA 1.954 54.018 52.037 0.045 0.000 0.623 2422 A CB -0.578 18.510 19.000 0.147 0.000 0.818 2422 A HN 0.355 nan 8.150 nan 0.000 0.443 2423 D N -0.378 119.979 120.400 -0.072 0.000 2.117 2423 D HA -0.085 4.555 4.640 0.000 0.000 0.198 2423 D C 2.068 178.194 176.300 -0.290 0.000 0.982 2423 D CA 1.398 55.364 54.000 -0.056 0.000 0.828 2423 D CB -0.366 40.519 40.800 0.141 0.000 0.967 2423 D HN 0.227 nan 8.370 nan 0.000 0.464 2424 V N 0.750 120.328 119.914 -0.560 0.000 2.358 2424 V HA -0.191 3.929 4.120 0.000 0.000 0.246 2424 V C 2.426 178.225 176.094 -0.491 0.000 1.047 2424 V CA 1.268 63.147 62.300 -0.702 0.000 1.035 2424 V CB -0.318 30.991 31.823 -0.856 0.000 0.658 2424 V HN 0.190 nan 8.190 nan 0.000 0.452 2425 M N -1.657 117.641 119.600 -0.503 0.000 2.193 2425 M HA 0.024 4.504 4.480 0.000 0.000 0.265 2425 M C 1.856 177.633 176.300 -0.871 0.000 1.071 2425 M CA 2.113 56.971 55.300 -0.737 0.000 1.140 2425 M CB -0.120 31.920 32.600 -0.933 0.000 1.369 2425 M HN 0.349 nan 8.290 nan 0.000 0.423 2426 F N -1.811 118.057 119.950 -0.137 0.000 2.495 2426 F HA 0.346 4.874 4.527 0.001 0.000 0.272 2426 F C 2.398 178.144 175.800 -0.090 0.000 0.919 2426 F CA 0.226 58.174 58.000 -0.088 0.000 1.178 2426 F CB -1.258 37.727 39.000 -0.024 0.000 1.030 2426 F HN 0.033 nan 8.300 nan 0.000 0.777 2427 G N 0.932 109.809 108.800 0.129 0.000 2.514 2427 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 2427 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 2427 G C 1.699 176.600 174.900 0.002 0.000 1.198 2427 G CA 1.799 46.930 45.100 0.051 0.000 0.780 2427 G HN 0.180 nan 8.290 nan 0.000 0.565 2428 V N 2.059 121.969 119.914 -0.007 0.000 2.307 2428 V HA -0.087 4.033 4.120 0.000 0.000 0.245 2428 V C 0.326 176.403 176.094 -0.027 0.000 1.045 2428 V CA 2.184 64.494 62.300 0.016 0.000 1.024 2428 V CB -1.022 30.826 31.823 0.042 0.000 0.651 2428 V HN 0.286 nan 8.190 nan 0.000 0.449 2429 P HA -0.095 nan 4.420 nan 0.000 0.216 2429 P C 1.975 179.218 177.300 -0.095 0.000 1.150 2429 P CA 1.604 64.644 63.100 -0.100 0.000 0.837 2429 P CB -0.035 31.570 31.700 -0.158 0.000 0.786 2430 S N -0.946 114.698 115.700 -0.093 0.000 2.368 2430 S HA -0.091 4.379 4.470 0.000 0.000 0.224 2430 S C 1.952 176.436 174.600 -0.194 0.000 1.029 2430 S CA 1.103 59.216 58.200 -0.145 0.000 0.988 2430 S CB -1.082 62.035 63.200 -0.140 0.000 0.838 2430 S HN -0.040 nan 8.310 nan 0.000 0.462 2431 V N 2.054 121.880 119.914 -0.148 0.000 2.427 2431 V HA -0.120 4.000 4.120 0.000 0.000 0.248 2431 V C 2.017 178.074 176.094 -0.062 0.000 1.051 2431 V CA 1.340 63.555 62.300 -0.142 0.000 1.048 2431 V CB -0.628 31.163 31.823 -0.052 0.000 0.666 2431 V HN 0.448 nan 8.190 nan 0.000 0.456 2432 I N -0.452 120.099 120.570 -0.030 0.000 2.226 2432 I HA -0.204 3.966 4.170 0.000 0.000 0.245 2432 I C 2.391 178.498 176.117 -0.017 0.000 1.100 2432 I CA 1.206 62.508 61.300 0.003 0.000 1.374 2432 I CB -0.371 37.632 38.000 0.003 0.000 1.057 2432 I HN 0.149 nan 8.210 nan 0.000 0.413 2433 V N 1.016 120.887 119.914 -0.072 0.000 2.295 2433 V HA -0.292 3.828 4.120 0.000 0.000 0.246 2433 V C 2.711 178.759 176.094 -0.076 0.000 1.049 2433 V CA 2.038 64.285 62.300 -0.087 0.000 1.024 2433 V CB -0.901 30.844 31.823 -0.130 0.000 0.648 2433 V HN 0.492 nan 8.190 nan 0.000 0.447 2434 A N -0.198 122.520 122.820 -0.170 0.000 1.902 2434 A HA -0.232 4.088 4.320 0.000 0.000 0.217 2434 A C 2.356 180.002 177.584 0.102 0.000 1.181 2434 A CA 1.853 53.778 52.037 -0.188 0.000 0.623 2434 A CB -0.508 18.161 19.000 -0.551 0.000 0.818 2434 A HN 0.500 nan 8.150 nan 0.000 0.443 2435 R N -0.301 120.300 120.500 0.168 0.000 2.091 2435 R HA -0.104 4.236 4.340 0.000 0.000 0.238 2435 R C 1.975 178.394 176.300 0.198 0.000 1.136 2435 R CA 1.496 57.759 56.100 0.271 0.000 0.959 2435 R CB -0.371 30.054 30.300 0.208 0.000 0.856 2435 R HN 0.572 nan 8.270 nan 0.000 0.437 2436 N N -0.205 118.591 118.700 0.159 0.000 2.244 2436 N HA -0.164 4.576 4.740 0.000 0.000 0.183 2436 N C 1.672 177.363 175.510 0.301 0.000 1.016 2436 N CA 1.112 54.274 53.050 0.187 0.000 0.866 2436 N CB -0.102 38.464 38.487 0.132 0.000 0.980 2436 N HN 0.320 nan 8.380 nan 0.000 0.430 2437 H N 1.506 120.688 119.070 0.187 0.000 2.357 2437 H HA 0.044 4.601 4.556 0.000 0.000 0.301 2437 H C 2.292 177.788 175.328 0.279 0.000 1.082 2437 H CA 1.470 57.699 56.048 0.302 0.000 1.342 2437 H CB 0.095 30.000 29.762 0.238 0.000 1.389 2437 H HN 0.041 nan 8.280 nan 0.000 0.511 2438 R N 0.424 121.101 120.500 0.294 0.000 2.083 2438 R HA -0.139 4.202 4.340 0.000 0.000 0.237 2438 R C 1.071 177.437 176.300 0.110 0.000 1.137 2438 R CA 2.025 58.243 56.100 0.197 0.000 0.951 2438 R CB -0.201 30.235 30.300 0.227 0.000 0.851 2438 R HN 0.369 nan 8.270 nan 0.000 0.434 2439 D N 0.248 120.721 120.400 0.122 0.000 2.309 2439 D HA -0.088 4.553 4.640 0.000 0.000 0.212 2439 D C 1.224 177.548 176.300 0.040 0.000 0.968 2439 D CA 1.149 55.194 54.000 0.075 0.000 0.882 2439 D CB 0.056 40.907 40.800 0.086 0.000 0.918 2439 D HN 0.421 nan 8.370 nan 0.000 0.503 2440 A N -0.418 122.426 122.820 0.041 0.000 2.251 2440 A HA 0.433 4.753 4.320 0.000 0.000 0.209 2440 A C 1.792 179.319 177.584 -0.096 0.000 1.187 2440 A CA 0.882 52.873 52.037 -0.075 0.000 0.823 2440 A CB -0.074 18.813 19.000 -0.188 0.000 0.846 2440 A HN 0.218 nan 8.150 nan 0.000 0.486 2441 G N -2.115 106.660 108.800 -0.041 0.000 2.157 2441 G HA2 0.102 4.062 3.960 0.000 0.000 0.248 2441 G HA3 0.102 4.062 3.960 0.000 0.000 0.248 2441 G C 0.341 175.227 174.900 -0.023 0.000 0.979 2441 G CA 0.246 45.327 45.100 -0.032 0.000 0.650 2441 G HN 1.573 nan 8.290 nan 0.000 0.529 2442 A N 0.388 123.184 122.820 -0.040 0.000 2.310 2442 A HA 0.794 5.114 4.320 0.000 0.000 0.299 2442 A C -1.991 175.681 177.584 0.147 0.000 1.147 2442 A CA -1.419 50.629 52.037 0.018 0.000 0.818 2442 A CB 0.776 19.700 19.000 -0.128 0.000 1.096 2442 A HN 0.097 nan 8.150 nan 0.000 0.495 2443 P HA 0.197 nan 4.420 nan 0.000 0.264 2443 P C -0.438 177.018 177.300 0.260 0.000 1.193 2443 P CA 0.747 63.946 63.100 0.165 0.000 0.763 2443 P CB 0.659 32.484 31.700 0.209 0.000 0.810 2444 T N 3.047 117.636 114.554 0.059 0.000 2.900 2444 T HA 0.594 4.944 4.350 0.000 0.000 0.295 2444 T C -1.101 173.441 174.700 -0.264 0.000 1.044 2444 T CA -0.282 61.871 62.100 0.089 0.000 0.995 2444 T CB 0.887 69.885 68.868 0.217 0.000 1.072 2444 T HN 0.126 nan 8.240 nan 0.000 0.473 2445 Y N 0.734 121.007 120.300 -0.045 0.000 2.534 2445 Y HA 0.692 5.242 4.550 0.000 0.000 0.345 2445 Y C -0.174 175.674 175.900 -0.086 0.000 1.031 2445 Y CA -1.110 56.925 58.100 -0.108 0.000 1.022 2445 Y CB 2.106 40.225 38.460 -0.568 0.000 1.292 2445 Y HN 0.361 nan 8.280 nan 0.000 0.459 2446 M N 2.962 122.776 119.600 0.357 0.000 2.593 2446 M HA 0.545 5.025 4.480 0.000 0.000 0.290 2446 M C -1.636 174.970 176.300 0.510 0.000 1.244 2446 M CA -0.991 54.406 55.300 0.160 0.000 0.857 2446 M CB 3.346 35.826 32.600 -0.199 0.000 1.738 2446 M HN 0.775 nan 8.290 nan 0.000 0.461 2447 Y N -1.455 119.000 120.300 0.260 0.000 2.638 2447 Y HA 0.738 5.288 4.550 0.001 0.000 0.335 2447 Y C -1.635 174.376 175.900 0.185 0.000 1.155 2447 Y CA -0.967 57.244 58.100 0.186 0.000 1.046 2447 Y CB 1.603 40.102 38.460 0.064 0.000 1.303 2447 Y HN 0.699 nan 8.280 nan 0.000 0.460 2448 E N 2.533 123.033 120.200 0.501 0.000 2.244 2448 E HA 0.338 4.688 4.350 0.000 0.000 0.260 2448 E C -2.233 174.651 176.600 0.473 0.000 0.884 2448 E CA -0.827 55.807 56.400 0.391 0.000 0.777 2448 E CB 1.407 31.280 29.700 0.288 0.000 1.197 2448 E HN 0.638 nan 8.360 nan 0.000 0.416 2449 F N 3.795 123.972 119.950 0.378 0.000 2.404 2449 F HA 0.278 4.805 4.527 0.000 0.000 0.345 2449 F C -0.392 175.524 175.800 0.193 0.000 1.110 2449 F CA -0.164 57.984 58.000 0.247 0.000 1.130 2449 F CB 1.161 40.306 39.000 0.243 0.000 1.129 2449 F HN 0.444 nan 8.300 nan 0.000 0.500 2450 Q N 7.073 126.648 119.800 -0.376 0.000 2.589 2450 Q HA 0.296 4.636 4.340 0.000 0.000 0.245 2450 Q C -2.370 173.455 176.000 -0.292 0.000 0.931 2450 Q CA -0.597 55.093 55.803 -0.188 0.000 0.730 2450 Q CB 1.069 29.781 28.738 -0.045 0.000 1.315 2450 Q HN 0.816 nan 8.270 nan 0.000 0.469 2451 Y N 1.012 121.074 120.300 -0.397 0.000 2.565 2451 Y HA 0.389 4.939 4.550 0.000 0.000 0.330 2451 Y C -1.956 173.952 175.900 0.013 0.000 1.150 2451 Y CA -0.826 57.122 58.100 -0.253 0.000 1.055 2451 Y CB 1.606 39.812 38.460 -0.425 0.000 1.337 2451 Y HN 0.560 nan 8.280 nan 0.000 0.457 2452 R N 6.453 126.621 120.500 -0.553 0.000 2.275 2452 R HA 0.480 4.820 4.340 0.000 0.000 0.326 2452 R C -2.797 173.296 176.300 -0.344 0.000 0.973 2452 R CA -2.025 53.897 56.100 -0.296 0.000 0.854 2452 R CB 0.963 31.085 30.300 -0.296 0.000 1.156 2452 R HN 0.397 nan 8.270 nan 0.000 0.487 2453 P HA -0.006 nan 4.420 nan 0.000 0.271 2453 P C 0.174 177.288 177.300 -0.310 0.000 1.218 2453 P CA -0.045 63.042 63.100 -0.022 0.000 0.780 2453 P CB 1.471 33.239 31.700 0.113 0.000 0.901 2454 S N 1.006 116.387 115.700 -0.532 0.000 2.515 2454 S HA -0.075 4.395 4.470 0.000 0.000 0.231 2454 S C 1.246 175.451 174.600 -0.657 0.000 0.987 2454 S CA 0.493 58.332 58.200 -0.601 0.000 0.936 2454 S CB -1.140 61.660 63.200 -0.668 0.000 0.766 2454 S HN 0.399 nan 8.310 nan 0.000 0.528 2455 F N 2.386 122.087 119.950 -0.415 0.000 2.797 2455 F HA 0.313 4.840 4.527 0.000 0.000 0.302 2455 F C 1.326 176.835 175.800 -0.485 0.000 1.130 2455 F CA -0.470 57.201 58.000 -0.547 0.000 1.387 2455 F CB -0.438 37.949 39.000 -1.022 0.000 1.107 2455 F HN 0.028 nan 8.300 nan 0.000 0.577 2456 S N 0.146 115.691 115.700 -0.259 0.000 2.569 2456 S HA -0.006 4.464 4.470 0.000 0.000 0.274 2456 S C 0.563 175.100 174.600 -0.105 0.000 1.353 2456 S CA -0.526 57.593 58.200 -0.135 0.000 1.023 2456 S CB 0.755 63.854 63.200 -0.168 0.000 0.876 2456 S HN 0.269 nan 8.310 nan 0.000 0.540 2457 S N 0.449 116.102 115.700 -0.079 0.000 2.562 2457 S HA 0.026 4.496 4.470 0.000 0.000 0.281 2457 S C 0.800 175.294 174.600 -0.176 0.000 1.333 2457 S CA -0.631 57.528 58.200 -0.068 0.000 1.052 2457 S CB 0.195 63.418 63.200 0.038 0.000 0.884 2457 S HN 0.611 nan 8.310 nan 0.000 0.506 2458 D N 3.800 124.141 120.400 -0.098 0.000 2.263 2458 D HA -0.078 4.562 4.640 0.000 0.000 0.208 2458 D C 1.410 177.635 176.300 -0.126 0.000 0.971 2458 D CA 1.241 55.176 54.000 -0.108 0.000 0.867 2458 D CB -0.021 40.746 40.800 -0.055 0.000 0.929 2458 D HN 0.639 nan 8.370 nan 0.000 0.492 2459 M N 0.063 119.601 119.600 -0.103 0.000 2.595 2459 M HA -0.007 4.474 4.480 0.000 0.000 0.248 2459 M C 0.919 177.043 176.300 -0.294 0.000 1.119 2459 M CA 0.326 55.605 55.300 -0.035 0.000 1.079 2459 M CB 0.263 32.996 32.600 0.221 0.000 1.472 2459 M HN -0.258 nan 8.290 nan 0.000 0.501 2460 K N 2.955 122.893 120.400 -0.770 0.000 2.211 2460 K HA 0.276 4.596 4.320 0.000 0.000 0.275 2460 K C -2.301 173.929 176.600 -0.616 0.000 1.024 2460 K CA -1.841 53.648 56.287 -1.330 0.000 0.887 2460 K CB 1.004 32.518 32.500 -1.643 0.000 1.084 2460 K HN -0.124 nan 8.250 nan 0.000 0.463 2461 P HA -0.015 nan 4.420 nan 0.000 0.267 2461 P C -0.533 176.647 177.300 -0.201 0.000 1.200 2461 P CA 0.039 63.008 63.100 -0.217 0.000 0.772 2461 P CB 0.788 32.423 31.700 -0.108 0.000 0.855 2462 K N 0.523 120.835 120.400 -0.148 0.000 2.280 2462 K HA -0.081 4.239 4.320 0.000 0.000 0.202 2462 K C 1.761 178.297 176.600 -0.107 0.000 1.047 2462 K CA 1.833 58.039 56.287 -0.136 0.000 0.942 2462 K CB -0.597 31.834 32.500 -0.116 0.000 0.739 2462 K HN 0.630 nan 8.250 nan 0.000 0.457 2463 T N -1.444 113.065 114.554 -0.075 0.000 3.072 2463 T HA 0.007 4.357 4.350 0.000 0.000 0.266 2463 T C 0.875 175.561 174.700 -0.023 0.000 1.127 2463 T CA 0.056 62.132 62.100 -0.040 0.000 1.107 2463 T CB -0.165 68.697 68.868 -0.010 0.000 0.910 2463 T HN -0.186 nan 8.240 nan 0.000 0.513 2464 V N 2.775 122.667 119.914 -0.036 0.000 2.405 2464 V HA 0.365 4.485 4.120 0.000 0.000 0.264 2464 V C 0.058 176.151 176.094 -0.000 0.000 1.048 2464 V CA -0.474 61.832 62.300 0.009 0.000 0.966 2464 V CB -0.018 31.817 31.823 0.021 0.000 1.015 2464 V HN 0.452 nan 8.190 nan 0.000 0.477 2465 I N 3.837 124.424 120.570 0.029 0.000 2.436 2465 I HA 0.618 4.789 4.170 0.000 0.000 0.289 2465 I C 0.934 177.110 176.117 0.098 0.000 1.010 2465 I CA -0.547 60.764 61.300 0.019 0.000 1.098 2465 I CB 1.735 39.719 38.000 -0.027 0.000 1.266 2465 I HN 0.770 nan 8.210 nan 0.000 0.434 2466 G N 3.625 112.524 108.800 0.165 0.000 2.289 2466 G HA2 -0.231 3.729 3.960 0.000 0.000 0.280 2466 G HA3 -0.231 3.729 3.960 0.000 0.000 0.280 2466 G C -0.273 174.787 174.900 0.266 0.000 1.089 2466 G CA -0.033 45.240 45.100 0.288 0.000 0.939 2466 G HN 0.742 nan 8.290 nan 0.000 0.499 2467 D N -0.775 119.777 120.400 0.254 0.000 2.371 2467 D HA 0.355 4.995 4.640 0.000 0.000 0.242 2467 D C 0.940 177.406 176.300 0.277 0.000 1.218 2467 D CA -0.465 53.692 54.000 0.261 0.000 0.945 2467 D CB 0.369 41.344 40.800 0.292 0.000 1.137 2467 D HN 0.365 nan 8.370 nan 0.000 0.464 2468 H N -0.303 118.852 119.070 0.141 0.000 3.070 2468 H HA 0.294 4.850 4.556 0.001 0.000 0.313 2468 H C 1.340 176.782 175.328 0.188 0.000 0.997 2468 H CA 1.766 57.862 56.048 0.080 0.000 1.438 2468 H CB 0.068 29.852 29.762 0.037 0.000 1.455 2468 H HN 0.583 nan 8.280 nan 0.000 0.575 2469 G N 4.328 112.956 108.800 -0.287 0.000 2.176 2469 G HA2 -0.328 3.632 3.960 0.000 0.000 0.253 2469 G HA3 -0.328 3.632 3.960 0.000 0.000 0.253 2469 G C 1.192 175.965 174.900 -0.212 0.000 0.979 2469 G CA 0.491 45.334 45.100 -0.429 0.000 0.641 2469 G HN 0.652 nan 8.290 nan 0.000 0.530 2470 D N 0.927 121.360 120.400 0.055 0.000 2.218 2470 D HA -0.049 4.591 4.640 0.000 0.000 0.204 2470 D C 2.417 178.699 176.300 -0.031 0.000 0.976 2470 D CA 1.331 55.472 54.000 0.235 0.000 0.853 2470 D CB -0.081 40.971 40.800 0.420 0.000 0.939 2470 D HN 0.735 nan 8.370 nan 0.000 0.481 2471 E N 1.286 121.155 120.200 -0.551 0.000 2.347 2471 E HA -0.131 4.219 4.350 0.000 0.000 0.196 2471 E C 2.158 178.420 176.600 -0.564 0.000 1.008 2471 E CA 0.219 55.944 56.400 -1.126 0.000 0.852 2471 E CB -0.613 28.383 29.700 -1.173 0.000 0.783 2471 E HN 0.323 nan 8.360 nan 0.000 0.505 2472 L N -0.230 120.741 121.223 -0.421 0.000 2.079 2472 L HA -0.142 4.198 4.340 0.000 0.000 0.210 2472 L C 2.516 179.169 176.870 -0.363 0.000 1.081 2472 L CA 1.493 56.089 54.840 -0.407 0.000 0.752 2472 L CB -0.633 41.057 42.059 -0.615 0.000 0.896 2472 L HN 0.022 nan 8.230 nan 0.000 0.433 2473 F N -0.555 119.328 119.950 -0.112 0.000 2.293 2473 F HA -0.175 4.353 4.527 0.000 0.000 0.300 2473 F C 2.626 178.385 175.800 -0.068 0.000 1.086 2473 F CA 1.144 59.106 58.000 -0.063 0.000 1.375 2473 F CB -0.392 38.672 39.000 0.106 0.000 1.045 2473 F HN -0.015 nan 8.300 nan 0.000 0.516 2474 S N -0.233 115.478 115.700 0.017 0.000 2.348 2474 S HA -0.094 4.377 4.470 0.000 0.000 0.219 2474 S C 2.291 176.731 174.600 -0.266 0.000 1.033 2474 S CA 0.928 59.078 58.200 -0.083 0.000 0.974 2474 S CB -0.498 62.634 63.200 -0.113 0.000 0.868 2474 S HN 0.091 nan 8.310 nan 0.000 0.459 2475 V N 0.974 120.605 119.914 -0.472 0.000 2.324 2475 V HA -0.162 3.959 4.120 0.000 0.000 0.250 2475 V C 1.465 177.173 176.094 -0.644 0.000 1.060 2475 V CA 1.700 63.575 62.300 -0.708 0.000 1.042 2475 V CB -0.697 30.649 31.823 -0.795 0.000 0.650 2475 V HN 0.458 nan 8.190 nan 0.000 0.450 2476 F N 0.398 120.151 119.950 -0.328 0.000 2.664 2476 F HA 0.440 4.967 4.527 0.000 0.000 0.301 2476 F C 1.661 177.354 175.800 -0.179 0.000 1.126 2476 F CA 0.476 58.311 58.000 -0.275 0.000 1.373 2476 F CB -0.338 38.452 39.000 -0.350 0.000 1.042 2476 F HN 0.252 nan 8.300 nan 0.000 0.535 2477 G N 0.905 109.689 108.800 -0.028 0.000 2.356 2477 G HA2 -0.322 3.638 3.960 0.000 0.000 0.296 2477 G HA3 -0.322 3.638 3.960 0.000 0.000 0.296 2477 G C 1.298 176.279 174.900 0.135 0.000 1.022 2477 G CA 0.340 45.512 45.100 0.121 0.000 0.961 2477 G HN 0.583 nan 8.290 nan 0.000 0.510 2478 A N 0.130 122.949 122.820 -0.001 0.000 1.948 2478 A HA 0.060 4.381 4.320 0.000 0.000 0.220 2478 A C 0.673 178.105 177.584 -0.253 0.000 1.177 2478 A CA 2.161 54.069 52.037 -0.216 0.000 0.636 2478 A CB -0.801 17.958 19.000 -0.402 0.000 0.815 2478 A HN 0.484 nan 8.150 nan 0.000 0.449 2479 P HA -0.117 nan 4.420 nan 0.000 0.221 2479 P C 0.518 177.580 177.300 -0.397 0.000 1.145 2479 P CA 0.945 63.958 63.100 -0.145 0.000 0.795 2479 P CB -0.147 31.336 31.700 -0.363 0.000 0.775 2480 F N -2.640 117.328 119.950 0.030 0.000 2.727 2480 F HA 0.202 4.730 4.527 0.000 0.000 0.302 2480 F C 1.746 177.581 175.800 0.058 0.000 1.097 2480 F CA 0.385 58.423 58.000 0.064 0.000 1.330 2480 F CB -0.237 38.804 39.000 0.067 0.000 1.084 2480 F HN -0.172 nan 8.300 nan 0.000 0.578 2481 L N -1.516 119.776 121.223 0.115 0.000 2.624 2481 L HA 0.232 4.572 4.340 0.000 0.000 0.222 2481 L C 0.731 177.614 176.870 0.022 0.000 1.046 2481 L CA 0.187 55.068 54.840 0.068 0.000 0.872 2481 L CB 0.124 42.199 42.059 0.027 0.000 1.190 2481 L HN -0.223 nan 8.230 nan 0.000 0.487 2482 K N 0.511 120.892 120.400 -0.033 0.000 2.132 2482 K HA 0.414 4.734 4.320 0.000 0.000 0.241 2482 K C -0.505 176.179 176.600 0.140 0.000 1.000 2482 K CA -0.543 55.756 56.287 0.021 0.000 0.911 2482 K CB 1.381 33.819 32.500 -0.103 0.000 1.093 2482 K HN -0.047 nan 8.250 nan 0.000 0.460 2483 E N -0.851 119.450 120.200 0.167 0.000 2.232 2483 E HA 0.348 4.698 4.350 0.000 0.000 0.264 2483 E C 0.155 176.821 176.600 0.110 0.000 0.973 2483 E CA -0.475 55.997 56.400 0.120 0.000 0.849 2483 E CB 1.477 31.216 29.700 0.065 0.000 1.198 2483 E HN 0.789 nan 8.360 nan 0.000 0.407 2484 G N 0.188 109.000 108.800 0.019 0.000 2.141 2484 G HA2 -0.245 3.716 3.960 0.000 0.000 0.242 2484 G HA3 -0.245 3.716 3.960 0.000 0.000 0.242 2484 G C 0.137 174.945 174.900 -0.154 0.000 0.982 2484 G CA -0.019 45.041 45.100 -0.067 0.000 0.662 2484 G HN 0.682 nan 8.290 nan 0.000 0.527 2485 A N 0.482 123.234 122.820 -0.114 0.000 2.363 2485 A HA 0.778 5.098 4.320 0.000 0.000 0.270 2485 A C 1.000 178.516 177.584 -0.113 0.000 1.121 2485 A CA 0.834 52.771 52.037 -0.167 0.000 0.800 2485 A CB 0.486 19.451 19.000 -0.058 0.000 1.052 2485 A HN 1.920 nan 8.150 nan 0.000 0.493 2486 S N 1.252 116.889 115.700 -0.105 0.000 2.608 2486 S HA 0.180 4.651 4.470 0.000 0.000 0.261 2486 S C 0.923 175.494 174.600 -0.049 0.000 1.314 2486 S CA 0.389 58.552 58.200 -0.063 0.000 0.992 2486 S CB 0.793 63.967 63.200 -0.042 0.000 0.935 2486 S HN 0.771 nan 8.310 nan 0.000 0.564 2487 E N 0.675 120.856 120.200 -0.032 0.000 2.118 2487 E HA -0.211 4.139 4.350 0.000 0.000 0.195 2487 E C 1.904 178.489 176.600 -0.024 0.000 0.992 2487 E CA 1.983 58.368 56.400 -0.024 0.000 0.804 2487 E CB -0.403 29.291 29.700 -0.011 0.000 0.741 2487 E HN 0.857 nan 8.360 nan 0.000 0.458 2488 E N 0.201 120.393 120.200 -0.014 0.000 2.058 2488 E HA -0.276 4.074 4.350 0.000 0.000 0.194 2488 E C 2.077 178.638 176.600 -0.064 0.000 0.997 2488 E CA 1.480 57.871 56.400 -0.015 0.000 0.801 2488 E CB -0.209 29.513 29.700 0.038 0.000 0.746 2488 E HN 0.407 nan 8.360 nan 0.000 0.450 2489 E N 0.100 120.283 120.200 -0.028 0.000 2.110 2489 E HA -0.174 4.176 4.350 0.000 0.000 0.193 2489 E C 2.181 178.726 176.600 -0.092 0.000 0.988 2489 E CA 1.086 57.445 56.400 -0.068 0.000 0.804 2489 E CB -0.052 29.672 29.700 0.040 0.000 0.745 2489 E HN 0.380 nan 8.360 nan 0.000 0.458 2490 I N 0.362 120.871 120.570 -0.101 0.000 2.179 2490 I HA -0.284 3.887 4.170 0.000 0.000 0.242 2490 I C 2.574 178.681 176.117 -0.017 0.000 1.088 2490 I CA 1.161 62.369 61.300 -0.154 0.000 1.357 2490 I CB -0.206 37.701 38.000 -0.154 0.000 1.051 2490 I HN 0.048 nan 8.210 nan 0.000 0.409 2491 R N 0.149 120.641 120.500 -0.013 0.000 2.096 2491 R HA -0.168 4.172 4.340 0.000 0.000 0.235 2491 R C 2.256 178.538 176.300 -0.030 0.000 1.127 2491 R CA 1.115 57.219 56.100 0.007 0.000 0.968 2491 R CB -0.416 29.878 30.300 -0.011 0.000 0.861 2491 R HN 0.234 nan 8.270 nan 0.000 0.440 2492 L N 0.385 121.550 121.223 -0.097 0.000 2.046 2492 L HA -0.154 4.186 4.340 0.000 0.000 0.208 2492 L C 2.288 179.115 176.870 -0.073 0.000 1.077 2492 L CA 1.867 56.622 54.840 -0.142 0.000 0.747 2492 L CB -0.667 41.189 42.059 -0.339 0.000 0.896 2492 L HN 0.035 nan 8.230 nan 0.000 0.432 2493 S N -0.786 114.896 115.700 -0.030 0.000 2.356 2493 S HA -0.224 4.247 4.470 0.000 0.000 0.223 2493 S C 2.077 176.691 174.600 0.024 0.000 1.032 2493 S CA 1.554 59.763 58.200 0.015 0.000 1.005 2493 S CB -0.228 63.040 63.200 0.113 0.000 0.867 2493 S HN 0.537 nan 8.310 nan 0.000 0.449 2494 K N 0.456 120.918 120.400 0.104 0.000 2.063 2494 K HA -0.141 4.179 4.320 0.000 0.000 0.208 2494 K C 2.336 178.915 176.600 -0.035 0.000 1.048 2494 K CA 1.789 58.108 56.287 0.053 0.000 0.928 2494 K CB -0.310 32.264 32.500 0.124 0.000 0.713 2494 K HN 0.471 nan 8.250 nan 0.000 0.442 2495 M N 0.814 120.376 119.600 -0.064 0.000 2.099 2495 M HA -0.162 4.318 4.480 0.000 0.000 0.262 2495 M C 2.000 178.231 176.300 -0.115 0.000 1.067 2495 M CA 1.513 56.717 55.300 -0.161 0.000 1.124 2495 M CB 0.060 32.573 32.600 -0.144 0.000 1.353 2495 M HN -0.047 nan 8.290 nan 0.000 0.410 2496 V N 1.063 120.949 119.914 -0.046 0.000 2.295 2496 V HA -0.322 3.798 4.120 0.000 0.000 0.246 2496 V C 2.442 178.469 176.094 -0.111 0.000 1.049 2496 V CA 2.023 64.276 62.300 -0.078 0.000 1.024 2496 V CB -0.649 30.963 31.823 -0.351 0.000 0.648 2496 V HN 0.558 nan 8.190 nan 0.000 0.447 2497 M N -0.559 118.946 119.600 -0.157 0.000 2.117 2497 M HA -0.220 4.260 4.480 0.000 0.000 0.262 2497 M C 2.345 178.667 176.300 0.036 0.000 1.065 2497 M CA 1.876 57.103 55.300 -0.122 0.000 1.114 2497 M CB -0.523 31.983 32.600 -0.157 0.000 1.361 2497 M HN 0.228 nan 8.290 nan 0.000 0.408 2498 K N 0.431 120.842 120.400 0.019 0.000 2.057 2498 K HA -0.117 4.203 4.320 0.000 0.000 0.207 2498 K C 1.772 178.475 176.600 0.173 0.000 1.049 2498 K CA 1.425 57.733 56.287 0.035 0.000 0.931 2498 K CB -0.119 32.339 32.500 -0.070 0.000 0.714 2498 K HN 0.197 nan 8.250 nan 0.000 0.440 2499 F N -0.383 119.703 119.950 0.228 0.000 2.075 2499 F HA -0.260 4.267 4.527 0.001 0.000 0.297 2499 F C 2.336 178.345 175.800 0.348 0.000 1.113 2499 F CA 0.739 58.941 58.000 0.336 0.000 1.218 2499 F CB -0.182 39.165 39.000 0.579 0.000 0.984 2499 F HN 0.246 nan 8.300 nan 0.000 0.472 2500 W N -0.041 121.371 121.300 0.186 0.000 2.358 2500 W HA -0.233 4.427 4.660 0.000 0.000 0.303 2500 W C 2.555 179.086 176.519 0.019 0.000 1.208 2500 W CA 0.935 58.299 57.345 0.032 0.000 1.274 2500 W CB -0.475 28.929 29.460 -0.094 0.000 1.138 2500 W HN -0.008 nan 8.180 nan 0.000 0.515 2501 A N 0.217 123.179 122.820 0.236 0.000 1.968 2501 A HA -0.171 4.149 4.320 0.000 0.000 0.217 2501 A C 1.670 179.311 177.584 0.095 0.000 1.169 2501 A CA 1.469 53.568 52.037 0.104 0.000 0.638 2501 A CB -0.811 18.226 19.000 0.062 0.000 0.812 2501 A HN 0.205 nan 8.150 nan 0.000 0.446 2502 N N -0.825 117.960 118.700 0.142 0.000 2.188 2502 N HA -0.113 4.627 4.740 0.000 0.000 0.184 2502 N C 1.340 176.889 175.510 0.066 0.000 1.018 2502 N CA 1.240 54.352 53.050 0.105 0.000 0.858 2502 N CB -0.558 38.023 38.487 0.156 0.000 0.989 2502 N HN 0.507 nan 8.380 nan 0.000 0.426 2503 F N 1.673 121.568 119.950 -0.093 0.000 2.134 2503 F HA -0.056 4.471 4.527 0.000 0.000 0.299 2503 F C 2.155 177.878 175.800 -0.128 0.000 1.097 2503 F CA 1.180 59.058 58.000 -0.203 0.000 1.264 2503 F CB -0.444 38.344 39.000 -0.353 0.000 1.001 2503 F HN 0.030 nan 8.300 nan 0.000 0.479 2504 A N 1.231 124.032 122.820 -0.031 0.000 1.933 2504 A HA -0.205 4.115 4.320 0.000 0.000 0.218 2504 A C 2.287 179.801 177.584 -0.116 0.000 1.175 2504 A CA 1.894 53.876 52.037 -0.093 0.000 0.628 2504 A CB -0.718 18.260 19.000 -0.037 0.000 0.814 2504 A HN 0.584 nan 8.150 nan 0.000 0.444 2505 R N -1.888 118.564 120.500 -0.081 0.000 2.223 2505 R HA 0.156 4.496 4.340 0.000 0.000 0.198 2505 R C 0.484 176.723 176.300 -0.101 0.000 0.984 2505 R CA 1.072 57.127 56.100 -0.074 0.000 1.018 2505 R CB -0.147 30.134 30.300 -0.031 0.000 0.945 2505 R HN 0.367 nan 8.270 nan 0.000 0.479 2506 N N -0.023 118.597 118.700 -0.132 0.000 2.210 2506 N HA 0.095 4.835 4.740 0.000 0.000 0.203 2506 N C 0.684 176.075 175.510 -0.198 0.000 1.175 2506 N CA 0.850 53.826 53.050 -0.124 0.000 0.894 2506 N CB 1.544 39.997 38.487 -0.057 0.000 1.041 2506 N HN 0.432 nan 8.380 nan 0.000 0.506 2507 G N 1.470 110.014 108.800 -0.426 0.000 2.153 2507 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 2507 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 2507 G C -0.114 174.602 174.900 -0.306 0.000 0.994 2507 G CA 0.321 45.045 45.100 -0.626 0.000 0.698 2507 G HN 0.457 nan 8.290 nan 0.000 0.521 2508 N N -0.521 118.061 118.700 -0.196 0.000 2.425 2508 N HA 0.389 5.129 4.740 0.000 0.000 0.289 2508 N C -1.769 173.653 175.510 -0.148 0.000 1.074 2508 N CA -1.288 51.677 53.050 -0.141 0.000 0.905 2508 N CB 2.381 40.879 38.487 0.018 0.000 1.586 2508 N HN -0.052 nan 8.380 nan 0.000 0.490 2509 P HA -0.028 nan 4.420 nan 0.000 0.225 2509 P C -0.184 177.239 177.300 0.206 0.000 1.156 2509 P CA 0.371 63.397 63.100 -0.123 0.000 0.787 2509 P CB 0.349 31.675 31.700 -0.623 0.000 0.802 2510 N N 0.941 119.715 118.700 0.124 0.000 2.345 2510 N HA 0.205 4.945 4.740 0.000 0.000 0.243 2510 N C 0.877 176.522 175.510 0.224 0.000 1.246 2510 N CA 1.266 54.483 53.050 0.277 0.000 0.863 2510 N CB 0.357 38.983 38.487 0.232 0.000 1.096 2510 N HN 0.169 nan 8.380 nan 0.000 0.446 2511 G N 0.014 108.947 108.800 0.222 0.000 2.576 2511 G HA2 0.156 4.116 3.960 0.000 0.000 0.290 2511 G HA3 0.156 4.116 3.960 0.000 0.000 0.290 2511 G C -1.306 173.656 174.900 0.104 0.000 1.442 2511 G CA -0.663 44.516 45.100 0.130 0.000 0.792 2511 G HN 0.492 nan 8.290 nan 0.000 0.491 2512 E N -0.488 119.755 120.200 0.071 0.000 2.414 2512 E HA 0.389 4.739 4.350 0.000 0.000 0.263 2512 E C 1.366 177.985 176.600 0.032 0.000 1.000 2512 E CA 1.278 57.711 56.400 0.056 0.000 0.914 2512 E CB 0.300 30.025 29.700 0.042 0.000 0.948 2512 E HN 1.766 nan 8.360 nan 0.000 0.444 2513 G N 3.526 112.346 108.800 0.033 0.000 2.162 2513 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 2513 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 2513 G C -0.073 174.816 174.900 -0.017 0.000 0.976 2513 G CA 0.393 45.498 45.100 0.009 0.000 0.655 2513 G HN 0.420 nan 8.290 nan 0.000 0.533 2514 L N 0.115 121.338 121.223 -0.000 0.000 2.354 2514 L HA 0.549 4.889 4.340 0.000 0.000 0.269 2514 L C -1.983 174.972 176.870 0.141 0.000 1.005 2514 L CA -2.443 52.364 54.840 -0.054 0.000 0.819 2514 L CB 1.838 43.748 42.059 -0.250 0.000 1.311 2514 L HN -0.153 nan 8.230 nan 0.000 0.423 2515 P HA -0.009 nan 4.420 nan 0.000 0.267 2515 P C -0.730 176.822 177.300 0.420 0.000 1.200 2515 P CA -0.081 63.189 63.100 0.283 0.000 0.772 2515 P CB 0.256 32.109 31.700 0.256 0.000 0.855 2516 H N 2.555 121.774 119.070 0.248 0.000 2.803 2516 H HA 0.026 4.583 4.556 0.000 0.000 0.330 2516 H C -0.912 174.604 175.328 0.312 0.000 1.057 2516 H CA -0.041 56.172 56.048 0.275 0.000 1.458 2516 H CB 0.424 30.299 29.762 0.189 0.000 1.470 2516 H HN 0.434 nan 8.280 nan 0.000 0.560 2517 W N 9.679 130.707 121.300 -0.453 0.000 2.299 2517 W HA 0.284 4.944 4.660 0.000 0.000 0.319 2517 W C -2.679 173.623 176.519 -0.361 0.000 1.008 2517 W CA -3.103 54.048 57.345 -0.322 0.000 1.384 2517 W CB 0.891 30.139 29.460 -0.353 0.000 1.220 2517 W HN 0.511 nan 8.180 nan 0.000 0.402 2518 P HA 0.035 nan 4.420 nan 0.000 0.271 2518 P C -0.237 177.238 177.300 0.292 0.000 1.218 2518 P CA 0.178 63.415 63.100 0.228 0.000 0.780 2518 P CB 1.429 33.280 31.700 0.252 0.000 0.901 2519 E N 1.605 121.855 120.200 0.083 0.000 2.383 2519 E HA -0.026 4.324 4.350 0.000 0.000 0.264 2519 E C -0.921 175.630 176.600 -0.081 0.000 1.050 2519 E CA -0.514 55.696 56.400 -0.317 0.000 0.896 2519 E CB 0.222 29.728 29.700 -0.324 0.000 0.982 2519 E HN 0.368 nan 8.360 nan 0.000 0.424 2520 Y N 5.689 125.843 120.300 -0.243 0.000 2.594 2520 Y HA 0.088 4.638 4.550 0.000 0.000 0.344 2520 Y C -0.405 175.466 175.900 -0.048 0.000 1.185 2520 Y CA -0.331 57.738 58.100 -0.051 0.000 1.565 2520 Y CB -0.615 37.829 38.460 -0.027 0.000 1.415 2520 Y HN 0.497 nan 8.280 nan 0.000 0.488 2521 N N 0.762 119.314 118.700 -0.248 0.000 3.040 2521 N HA 0.128 4.869 4.740 0.000 0.000 0.339 2521 N C 0.666 176.012 175.510 -0.275 0.000 1.387 2521 N CA -0.401 52.532 53.050 -0.194 0.000 0.745 2521 N CB 0.172 38.604 38.487 -0.091 0.000 1.237 2521 N HN 0.220 nan 8.380 nan 0.000 0.565 2522 Q N -0.203 119.508 119.800 -0.148 0.000 2.291 2522 Q HA -0.023 4.318 4.340 0.000 0.000 0.206 2522 Q C 0.899 176.823 176.000 -0.127 0.000 0.976 2522 Q CA 1.313 57.041 55.803 -0.125 0.000 0.875 2522 Q CB -0.381 28.321 28.738 -0.060 0.000 0.927 2522 Q HN 0.632 nan 8.270 nan 0.000 0.450 2523 K N 0.496 120.828 120.400 -0.114 0.000 2.418 2523 K HA -0.000 4.320 4.320 0.000 0.000 0.195 2523 K C -0.085 176.460 176.600 -0.091 0.000 1.035 2523 K CA -0.037 56.211 56.287 -0.066 0.000 1.003 2523 K CB 0.300 32.789 32.500 -0.019 0.000 0.793 2523 K HN 0.183 nan 8.250 nan 0.000 0.494 2524 E N 0.197 120.233 120.200 -0.274 0.000 2.297 2524 E HA -0.159 4.192 4.350 0.000 0.000 0.228 2524 E C -0.007 176.642 176.600 0.081 0.000 1.213 2524 E CA 0.108 56.257 56.400 -0.419 0.000 0.712 2524 E CB -1.620 27.949 29.700 -0.219 0.000 1.202 2524 E HN 0.511 nan 8.360 nan 0.000 0.376 2525 G N 0.653 109.523 108.800 0.118 0.000 2.467 2525 G HA2 0.433 4.394 3.960 0.000 0.000 0.257 2525 G HA3 0.433 4.394 3.960 0.000 0.000 0.257 2525 G C -0.334 174.863 174.900 0.494 0.000 1.227 2525 G CA 0.038 45.293 45.100 0.258 0.000 0.835 2525 G HN 0.318 nan 8.290 nan 0.000 0.556 2526 Y N -0.425 120.020 120.300 0.242 0.000 2.670 2526 Y HA 0.698 5.248 4.550 0.001 0.000 0.334 2526 Y C -1.549 174.351 175.900 0.000 0.000 1.185 2526 Y CA -1.797 56.448 58.100 0.242 0.000 1.053 2526 Y CB 1.515 40.099 38.460 0.206 0.000 1.298 2526 Y HN 0.551 nan 8.280 nan 0.000 0.459 2527 L N 2.498 123.563 121.223 -0.263 0.000 2.295 2527 L HA 0.469 4.809 4.340 0.000 0.000 0.285 2527 L C -0.795 175.910 176.870 -0.276 0.000 1.035 2527 L CA -0.469 53.993 54.840 -0.631 0.000 0.806 2527 L CB 1.707 42.826 42.059 -1.567 0.000 1.214 2527 L HN 0.765 nan 8.230 nan 0.000 0.426 2528 Q N 5.965 125.611 119.800 -0.256 0.000 2.390 2528 Q HA 0.450 4.790 4.340 0.000 0.000 0.249 2528 Q C -0.976 174.968 176.000 -0.093 0.000 0.996 2528 Q CA -0.117 55.648 55.803 -0.063 0.000 0.899 2528 Q CB 1.338 30.034 28.738 -0.071 0.000 1.216 2528 Q HN 0.571 nan 8.270 nan 0.000 0.465 2529 I N 1.921 122.462 120.570 -0.048 0.000 2.331 2529 I HA 0.650 4.820 4.170 0.000 0.000 0.292 2529 I C 0.689 176.661 176.117 -0.242 0.000 0.998 2529 I CA -0.225 61.021 61.300 -0.089 0.000 1.267 2529 I CB 1.393 39.406 38.000 0.021 0.000 1.386 2529 I HN 0.744 nan 8.210 nan 0.000 0.476 2530 G N 3.236 111.898 108.800 -0.230 0.000 2.393 2530 G HA2 0.375 4.336 3.960 0.000 0.000 0.264 2530 G HA3 0.375 4.336 3.960 0.000 0.000 0.264 2530 G C 0.258 175.056 174.900 -0.170 0.000 1.221 2530 G CA 0.099 45.033 45.100 -0.276 0.000 0.912 2530 G HN 0.544 nan 8.290 nan 0.000 0.483 2531 A N -0.372 122.433 122.820 -0.025 0.000 1.908 2531 A HA 0.083 4.403 4.320 0.000 0.000 0.218 2531 A C 1.251 178.820 177.584 -0.025 0.000 1.181 2531 A CA 2.292 54.330 52.037 0.001 0.000 0.627 2531 A CB -0.468 18.602 19.000 0.117 0.000 0.818 2531 A HN 0.858 nan 8.150 nan 0.000 0.445 2532 N N 0.222 118.910 118.700 -0.020 0.000 2.621 2532 N HA 0.282 5.022 4.740 0.000 0.000 0.237 2532 N C -1.314 174.177 175.510 -0.032 0.000 0.997 2532 N CA -0.032 53.007 53.050 -0.019 0.000 0.918 2532 N CB 0.487 38.969 38.487 -0.009 0.000 1.122 2532 N HN 0.068 nan 8.380 nan 0.000 0.510 2533 T N 3.468 118.005 114.554 -0.028 0.000 2.780 2533 T HA 0.377 4.727 4.350 0.000 0.000 0.294 2533 T C -0.455 174.231 174.700 -0.024 0.000 0.949 2533 T CA -0.255 61.826 62.100 -0.031 0.000 1.074 2533 T CB 0.493 69.368 68.868 0.012 0.000 0.910 2533 T HN 0.612 nan 8.240 nan 0.000 0.501 2534 Q N 1.333 121.093 119.800 -0.067 0.000 2.472 2534 Q HA 0.730 5.070 4.340 0.000 0.000 0.281 2534 Q C -1.368 174.543 176.000 -0.148 0.000 0.997 2534 Q CA -1.374 54.389 55.803 -0.065 0.000 0.828 2534 Q CB 1.458 30.171 28.738 -0.042 0.000 1.443 2534 Q HN 0.595 nan 8.270 nan 0.000 0.390 2535 A N 0.870 123.620 122.820 -0.116 0.000 2.332 2535 A HA 0.852 5.172 4.320 0.000 0.000 0.258 2535 A C -0.303 177.138 177.584 -0.239 0.000 1.087 2535 A CA 0.494 52.422 52.037 -0.182 0.000 0.802 2535 A CB 0.555 19.539 19.000 -0.027 0.000 1.042 2535 A HN 1.091 nan 8.150 nan 0.000 0.489 2536 A N 0.390 122.962 122.820 -0.413 0.000 2.529 2536 A HA 0.755 5.075 4.320 0.000 0.000 0.296 2536 A C -1.027 176.419 177.584 -0.230 0.000 1.205 2536 A CA -0.605 51.212 52.037 -0.367 0.000 0.671 2536 A CB 0.924 19.608 19.000 -0.526 0.000 1.301 2536 A HN 0.855 nan 8.150 nan 0.000 0.450 2537 Q N -0.310 119.533 119.800 0.072 0.000 2.456 2537 Q HA 0.591 4.931 4.340 0.000 0.000 0.284 2537 Q C -1.451 174.782 176.000 0.389 0.000 1.061 2537 Q CA -0.999 54.969 55.803 0.275 0.000 0.799 2537 Q CB 2.141 30.959 28.738 0.133 0.000 1.445 2537 Q HN 0.644 nan 8.270 nan 0.000 0.411 2538 K N 0.683 121.276 120.400 0.322 0.000 3.181 2538 K HA -0.190 4.131 4.320 0.000 0.000 0.269 2538 K C -0.631 176.052 176.600 0.139 0.000 1.097 2538 K CA -0.023 56.385 56.287 0.203 0.000 0.783 2538 K CB -1.368 31.215 32.500 0.138 0.000 1.267 2538 K HN 0.505 nan 8.250 nan 0.000 0.484 2539 L N 1.835 123.042 121.223 -0.027 0.000 2.559 2539 L HA -0.041 4.299 4.340 0.000 0.000 0.274 2539 L C 0.661 177.471 176.870 -0.099 0.000 1.205 2539 L CA 0.978 55.611 54.840 -0.345 0.000 0.907 2539 L CB 0.203 41.713 42.059 -0.916 0.000 1.153 2539 L HN 0.277 nan 8.230 nan 0.000 0.490 2540 K N 2.751 123.131 120.400 -0.033 0.000 3.048 2540 K HA -0.309 4.011 4.320 0.000 0.000 0.274 2540 K C 0.918 177.568 176.600 0.082 0.000 1.098 2540 K CA 1.308 57.621 56.287 0.044 0.000 0.807 2540 K CB -1.677 30.849 32.500 0.042 0.000 1.217 2540 K HN 0.908 nan 8.250 nan 0.000 0.477 2541 D N 0.816 121.261 120.400 0.076 0.000 2.106 2541 D HA -0.128 4.512 4.640 0.000 0.000 0.191 2541 D C 1.783 178.138 176.300 0.092 0.000 0.997 2541 D CA 1.769 55.822 54.000 0.087 0.000 0.834 2541 D CB 0.145 40.992 40.800 0.078 0.000 0.956 2541 D HN 0.412 nan 8.370 nan 0.000 0.448 2542 K N -0.062 120.382 120.400 0.074 0.000 2.147 2542 K HA -0.135 4.186 4.320 0.000 0.000 0.205 2542 K C 2.024 178.689 176.600 0.109 0.000 1.049 2542 K CA 0.979 57.302 56.287 0.061 0.000 0.936 2542 K CB 0.009 32.513 32.500 0.007 0.000 0.722 2542 K HN 0.136 nan 8.250 nan 0.000 0.446 2543 E N 0.480 120.775 120.200 0.159 0.000 2.072 2543 E HA -0.119 4.231 4.350 0.000 0.000 0.191 2543 E C 1.981 178.831 176.600 0.417 0.000 0.985 2543 E CA 0.778 57.374 56.400 0.325 0.000 0.801 2543 E CB -0.163 29.767 29.700 0.383 0.000 0.750 2543 E HN -0.031 nan 8.360 nan 0.000 0.452 2544 V N 1.078 121.159 119.914 0.279 0.000 2.343 2544 V HA -0.294 3.827 4.120 0.000 0.000 0.247 2544 V C 2.196 178.414 176.094 0.206 0.000 1.051 2544 V CA 1.839 64.287 62.300 0.247 0.000 1.036 2544 V CB -0.868 31.049 31.823 0.158 0.000 0.654 2544 V HN 0.355 nan 8.190 nan 0.000 0.451 2545 A N -0.180 122.734 122.820 0.156 0.000 1.865 2545 A HA -0.260 4.060 4.320 0.000 0.000 0.217 2545 A C 2.124 179.757 177.584 0.081 0.000 1.191 2545 A CA 2.172 54.272 52.037 0.105 0.000 0.623 2545 A CB -0.811 18.239 19.000 0.085 0.000 0.826 2545 A HN 0.513 nan 8.150 nan 0.000 0.444 2546 F N -0.732 119.176 119.950 -0.069 0.000 2.065 2546 F HA -0.227 4.300 4.527 0.001 0.000 0.298 2546 F C 2.050 177.675 175.800 -0.291 0.000 1.112 2546 F CA 1.916 59.777 58.000 -0.231 0.000 1.212 2546 F CB -0.721 38.048 39.000 -0.385 0.000 0.975 2546 F HN 0.400 nan 8.300 nan 0.000 0.476 2547 W N 0.374 121.557 121.300 -0.194 0.000 2.381 2547 W HA -0.148 4.512 4.660 0.000 0.000 0.301 2547 W C 2.629 178.999 176.519 -0.248 0.000 1.205 2547 W CA 1.711 58.821 57.345 -0.392 0.000 1.285 2547 W CB -1.050 28.366 29.460 -0.073 0.000 1.133 2547 W HN -0.123 nan 8.180 nan 0.000 0.521 2548 T N -0.084 114.566 114.554 0.160 0.000 2.788 2548 T HA -0.265 4.086 4.350 0.000 0.000 0.268 2548 T C 1.403 176.129 174.700 0.043 0.000 1.044 2548 T CA 1.793 63.987 62.100 0.156 0.000 1.139 2548 T CB -0.534 68.407 68.868 0.121 0.000 0.867 2548 T HN 0.151 nan 8.240 nan 0.000 0.454 2549 N N 0.634 119.286 118.700 -0.081 0.000 2.171 2549 N HA -0.027 4.713 4.740 0.000 0.000 0.184 2549 N C 1.694 177.082 175.510 -0.203 0.000 1.021 2549 N CA 0.642 53.618 53.050 -0.123 0.000 0.854 2549 N CB -0.398 38.004 38.487 -0.142 0.000 0.994 2549 N HN 0.166 nan 8.380 nan 0.000 0.426 2550 L N -0.334 120.625 121.223 -0.440 0.000 2.027 2550 L HA 0.091 4.431 4.340 0.000 0.000 0.206 2550 L C 1.553 178.298 176.870 -0.209 0.000 1.074 2550 L CA 1.601 56.144 54.840 -0.495 0.000 0.745 2550 L CB -0.803 40.664 42.059 -0.986 0.000 0.898 2550 L HN 0.230 nan 8.230 nan 0.000 0.433 2551 F N -0.984 118.947 119.950 -0.031 0.000 2.546 2551 F HA -0.076 4.451 4.527 0.000 0.000 0.298 2551 F C 2.241 178.040 175.800 -0.001 0.000 1.120 2551 F CA 0.313 58.324 58.000 0.019 0.000 1.456 2551 F CB -0.298 38.727 39.000 0.041 0.000 1.088 2551 F HN 0.220 nan 8.300 nan 0.000 0.572 2552 A N -0.112 122.791 122.820 0.139 0.000 2.072 2552 A HA 0.001 4.321 4.320 0.000 0.000 0.216 2552 A C 1.311 178.927 177.584 0.054 0.000 1.156 2552 A CA 0.152 52.238 52.037 0.081 0.000 0.701 2552 A CB -0.188 18.838 19.000 0.043 0.000 0.816 2552 A HN 0.142 nan 8.150 nan 0.000 0.458 2553 K N 0.000 120.421 120.400 0.036 0.000 2.780 2553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 2553 K CA 0.000 56.301 56.287 0.024 0.000 0.838 2553 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543