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 2hrr_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 0.000 174.704 174.600 0.174 0.000 1.055 2022 S CA 0.000 58.284 58.200 0.140 0.000 1.107 2022 S CB 0.000 63.269 63.200 0.115 0.000 0.593 2023 P HA 0.273 nan 4.420 nan 0.000 0.266 2023 P C -2.524 174.654 177.300 -0.204 0.000 1.195 2023 P CA -0.773 62.227 63.100 -0.168 0.000 0.768 2023 P CB -0.065 31.554 31.700 -0.134 0.000 0.838 2024 P HA 0.088 nan 4.420 nan 0.000 0.276 2024 P C -1.039 176.248 177.300 -0.023 0.000 1.235 2024 P CA 0.118 63.072 63.100 -0.243 0.000 0.772 2024 P CB 0.780 32.206 31.700 -0.456 0.000 0.871 2025 V N 4.642 124.596 119.914 0.067 0.000 2.444 2025 V HA 0.258 4.390 4.120 0.020 0.000 0.294 2025 V C 0.347 176.478 176.094 0.062 0.000 1.022 2025 V CA -0.668 61.696 62.300 0.106 0.000 0.850 2025 V CB 2.102 33.970 31.823 0.075 0.000 0.992 2025 V HN 0.307 nan 8.190 nan 0.000 0.426 2026 V N 3.195 123.119 119.914 0.018 0.000 2.667 2026 V HA 0.490 4.622 4.120 0.020 0.000 0.308 2026 V C -0.344 175.678 176.094 -0.121 0.000 1.048 2026 V CA -0.709 61.465 62.300 -0.210 0.000 0.928 2026 V CB 2.252 33.617 31.823 -0.764 0.000 1.004 2026 V HN 0.787 nan 8.190 nan 0.000 0.444 2027 D N 2.509 122.822 120.400 -0.144 0.000 2.412 2027 D HA 0.398 5.050 4.640 0.020 0.000 0.224 2027 D C 0.027 176.264 176.300 -0.105 0.000 1.093 2027 D CA 0.101 54.056 54.000 -0.074 0.000 0.850 2027 D CB 1.794 42.554 40.800 -0.068 0.000 1.046 2027 D HN 0.801 nan 8.370 nan 0.000 0.507 2028 T N -1.388 113.148 114.554 -0.030 0.000 2.937 2028 T HA 0.258 4.621 4.350 0.020 0.000 0.283 2028 T C 1.680 176.284 174.700 -0.160 0.000 1.012 2028 T CA -0.702 61.371 62.100 -0.045 0.000 0.997 2028 T CB 1.200 70.189 68.868 0.203 0.000 1.136 2028 T HN -0.008 nan 8.240 nan 0.000 0.551 2029 V N 1.102 120.854 119.914 -0.270 0.000 2.324 2029 V HA -0.162 3.970 4.120 0.020 0.000 0.250 2029 V C 2.254 178.097 176.094 -0.418 0.000 1.060 2029 V CA 1.764 63.839 62.300 -0.376 0.000 1.042 2029 V CB -1.150 30.351 31.823 -0.535 0.000 0.650 2029 V HN 0.867 nan 8.190 nan 0.000 0.450 2030 H N -0.204 118.660 119.070 -0.343 0.000 2.539 2030 H HA 0.493 5.060 4.556 0.019 0.000 0.269 2030 H C 0.974 175.466 175.328 -1.392 0.000 0.980 2030 H CA 0.829 56.447 56.048 -0.715 0.000 1.152 2030 H CB 0.414 29.764 29.762 -0.688 0.000 1.407 2030 H HN 0.543 nan 8.280 nan 0.000 0.564 2031 G N 0.350 108.668 108.800 -0.803 0.000 2.361 2031 G HA2 -0.035 3.937 3.960 0.020 0.000 0.331 2031 G HA3 -0.035 3.937 3.960 0.020 0.000 0.331 2031 G C -1.330 173.649 174.900 0.131 0.000 1.324 2031 G CA -1.183 43.511 45.100 -0.677 0.000 0.984 2031 G HN 0.061 nan 8.290 nan 0.000 0.586 2032 K N -0.330 120.305 120.400 0.392 0.000 2.218 2032 K HA 0.591 4.923 4.320 0.020 0.000 0.276 2032 K C 0.306 177.227 176.600 0.535 0.000 1.022 2032 K CA -0.555 55.964 56.287 0.387 0.000 0.946 2032 K CB 1.937 34.581 32.500 0.240 0.000 1.000 2032 K HN 0.984 nan 8.250 nan 0.000 0.468 2033 V N 0.582 120.719 119.914 0.372 0.000 2.628 2033 V HA 0.485 4.617 4.120 0.020 0.000 0.306 2033 V C -0.732 175.551 176.094 0.316 0.000 1.045 2033 V CA -1.131 61.371 62.300 0.336 0.000 0.905 2033 V CB 1.691 33.762 31.823 0.413 0.000 0.997 2033 V HN 0.601 nan 8.190 nan 0.000 0.436 2034 L N 4.429 125.787 121.223 0.225 0.000 2.305 2034 L HA 0.892 5.244 4.340 0.020 0.000 0.284 2034 L C 0.289 177.162 176.870 0.005 0.000 1.013 2034 L CA 0.550 55.461 54.840 0.118 0.000 0.819 2034 L CB 0.918 42.997 42.059 0.034 0.000 1.227 2034 L HN 1.020 nan 8.230 nan 0.000 0.417 2035 G N 5.071 113.717 108.800 -0.257 0.000 2.990 2035 G HA2 0.617 4.589 3.960 0.020 0.000 0.208 2035 G HA3 0.617 4.589 3.960 0.020 0.000 0.208 2035 G C -1.149 173.387 174.900 -0.606 0.000 1.334 2035 G CA -0.500 44.158 45.100 -0.735 0.000 1.024 2035 G HN 0.729 nan 8.290 nan 0.000 0.574 2036 K N -1.500 118.497 120.400 -0.673 0.000 2.509 2036 K HA 0.621 4.954 4.320 0.020 0.000 0.266 2036 K C -1.773 174.558 176.600 -0.448 0.000 0.987 2036 K CA -0.880 55.124 56.287 -0.471 0.000 0.868 2036 K CB 1.925 34.268 32.500 -0.262 0.000 1.421 2036 K HN 0.308 nan 8.250 nan 0.000 0.444 2037 F N 0.899 120.782 119.950 -0.112 0.000 2.421 2037 F HA 0.490 5.026 4.527 0.014 0.000 0.337 2037 F C -0.446 175.337 175.800 -0.028 0.000 1.105 2037 F CA -0.998 56.967 58.000 -0.058 0.000 1.049 2037 F CB 2.242 41.226 39.000 -0.026 0.000 1.139 2037 F HN 0.071 nan 8.300 nan 0.000 0.479 2038 V N 2.604 122.659 119.914 0.236 0.000 2.524 2038 V HA 0.239 4.371 4.120 0.020 0.000 0.297 2038 V C -0.581 175.591 176.094 0.129 0.000 1.035 2038 V CA -0.746 61.641 62.300 0.145 0.000 0.867 2038 V CB 1.676 33.574 31.823 0.124 0.000 1.004 2038 V HN 0.746 nan 8.190 nan 0.000 0.426 2039 S N 4.588 120.346 115.700 0.097 0.000 2.554 2039 S HA 0.701 5.183 4.470 0.020 0.000 0.278 2039 S C -0.511 174.146 174.600 0.095 0.000 1.242 2039 S CA -0.346 57.902 58.200 0.080 0.000 1.051 2039 S CB 1.395 64.628 63.200 0.056 0.000 0.986 2039 S HN 0.536 nan 8.310 nan 0.000 0.502 2040 L N 2.873 124.163 121.223 0.111 0.000 2.322 2040 L HA 0.514 4.866 4.340 0.020 0.000 0.281 2040 L C -0.186 176.825 176.870 0.234 0.000 1.014 2040 L CA -0.654 54.273 54.840 0.145 0.000 0.815 2040 L CB 1.397 43.490 42.059 0.056 0.000 1.247 2040 L HN 0.538 nan 8.230 nan 0.000 0.421 2041 E N 3.225 123.543 120.200 0.197 0.000 2.585 2041 E HA 0.369 4.731 4.350 0.020 0.000 0.252 2041 E C 0.947 177.650 176.600 0.172 0.000 0.981 2041 E CA 1.582 58.078 56.400 0.160 0.000 0.943 2041 E CB -0.003 29.783 29.700 0.144 0.000 0.923 2041 E HN 0.804 nan 8.360 nan 0.000 0.486 2042 G N 3.298 112.112 108.800 0.025 0.000 2.184 2042 G HA2 -0.206 3.766 3.960 0.020 0.000 0.206 2042 G HA3 -0.206 3.766 3.960 0.020 0.000 0.206 2042 G C -0.275 174.210 174.900 -0.693 0.000 0.995 2042 G CA -0.176 44.752 45.100 -0.287 0.000 0.651 2042 G HN 0.348 nan 8.290 nan 0.000 0.511 2043 F N -0.114 119.788 119.950 -0.079 0.000 2.562 2043 F HA 0.733 5.271 4.527 0.017 0.000 0.319 2043 F C 1.067 176.835 175.800 -0.053 0.000 1.154 2043 F CA -0.255 57.697 58.000 -0.081 0.000 0.931 2043 F CB 1.570 40.506 39.000 -0.107 0.000 1.198 2043 F HN 0.099 nan 8.300 nan 0.000 0.444 2044 A N 1.521 124.381 122.820 0.067 0.000 1.898 2044 A HA -0.120 4.212 4.320 0.020 0.000 0.216 2044 A C 1.191 178.789 177.584 0.023 0.000 1.181 2044 A CA 1.039 53.091 52.037 0.026 0.000 0.620 2044 A CB -0.426 18.572 19.000 -0.004 0.000 0.819 2044 A HN 0.673 nan 8.150 nan 0.000 0.442 2045 Q N 1.022 120.852 119.800 0.050 0.000 2.286 2045 Q HA 0.344 4.696 4.340 0.020 0.000 0.267 2045 Q C -2.679 173.328 176.000 0.012 0.000 1.028 2045 Q CA -2.079 53.732 55.803 0.013 0.000 0.901 2045 Q CB 0.303 29.068 28.738 0.044 0.000 1.183 2045 Q HN 0.233 nan 8.270 nan 0.000 0.392 2046 P HA 0.068 nan 4.420 nan 0.000 0.272 2046 P C -1.158 176.207 177.300 0.108 0.000 1.223 2046 P CA -0.392 62.690 63.100 -0.031 0.000 0.784 2046 P CB 0.799 32.347 31.700 -0.253 0.000 0.923 2047 V N 1.883 121.903 119.914 0.176 0.000 2.465 2047 V HA 0.451 4.583 4.120 0.020 0.000 0.279 2047 V C 0.497 176.779 176.094 0.314 0.000 1.045 2047 V CA -0.613 61.821 62.300 0.224 0.000 0.938 2047 V CB 0.775 32.704 31.823 0.177 0.000 0.986 2047 V HN 0.645 nan 8.190 nan 0.000 0.467 2048 A N 7.021 130.036 122.820 0.325 0.000 2.309 2048 A HA 0.717 5.049 4.320 0.020 0.000 0.290 2048 A C -0.363 177.226 177.584 0.009 0.000 1.206 2048 A CA -0.243 51.875 52.037 0.135 0.000 0.850 2048 A CB -0.135 19.029 19.000 0.273 0.000 1.118 2048 A HN 0.775 nan 8.150 nan 0.000 0.523 2049 I N 2.438 122.822 120.570 -0.309 0.000 2.378 2049 I HA 0.416 4.598 4.170 0.020 0.000 0.291 2049 I C -1.244 174.502 176.117 -0.618 0.000 0.992 2049 I CA -0.297 60.786 61.300 -0.363 0.000 1.154 2049 I CB 1.553 39.378 38.000 -0.292 0.000 1.315 2049 I HN 0.522 nan 8.210 nan 0.000 0.448 2050 F N 6.439 126.259 119.950 -0.216 0.000 2.477 2050 F HA 0.549 5.092 4.527 0.027 0.000 0.335 2050 F C -0.264 175.405 175.800 -0.218 0.000 1.130 2050 F CA -0.567 57.358 58.000 -0.125 0.000 0.948 2050 F CB 1.302 40.353 39.000 0.085 0.000 1.154 2050 F HN 0.112 nan 8.300 nan 0.000 0.439 2051 L N 2.380 123.533 121.223 -0.117 0.000 2.329 2051 L HA 0.681 5.033 4.340 0.020 0.000 0.279 2051 L C 0.718 177.511 176.870 -0.128 0.000 1.014 2051 L CA -1.081 53.645 54.840 -0.191 0.000 0.814 2051 L CB 1.703 43.504 42.059 -0.430 0.000 1.257 2051 L HN 0.879 nan 8.230 nan 0.000 0.424 2052 G N 3.557 112.302 108.800 -0.091 0.000 2.351 2052 G HA2 -0.251 3.721 3.960 0.020 0.000 0.297 2052 G HA3 -0.251 3.721 3.960 0.020 0.000 0.297 2052 G C -0.333 174.630 174.900 0.105 0.000 1.054 2052 G CA -0.252 44.780 45.100 -0.113 0.000 1.123 2052 G HN 0.474 nan 8.290 nan 0.000 0.512 2053 I N 2.236 122.887 120.570 0.135 0.000 2.325 2053 I HA 0.265 4.447 4.170 0.020 0.000 0.291 2053 I C -1.450 174.688 176.117 0.035 0.000 1.019 2053 I CA -2.412 58.930 61.300 0.069 0.000 1.302 2053 I CB 1.578 39.556 38.000 -0.036 0.000 1.401 2053 I HN 0.046 nan 8.210 nan 0.000 0.485 2054 P HA 0.021 nan 4.420 nan 0.000 0.271 2054 P C -0.261 176.908 177.300 -0.218 0.000 1.216 2054 P CA 0.047 62.945 63.100 -0.337 0.000 0.771 2054 P CB 0.555 32.100 31.700 -0.259 0.000 0.864 2055 F N 0.971 120.711 119.950 -0.349 0.000 2.706 2055 F HA 0.746 5.284 4.527 0.019 0.000 0.313 2055 F C -0.025 175.768 175.800 -0.011 0.000 1.096 2055 F CA -0.971 56.841 58.000 -0.313 0.000 1.219 2055 F CB 0.094 38.806 39.000 -0.480 0.000 1.051 2055 F HN 0.407 nan 8.300 nan 0.000 0.568 2056 A N 0.567 123.175 122.820 -0.353 0.000 2.599 2056 A HA 0.510 4.842 4.320 0.020 0.000 0.290 2056 A C -1.308 176.111 177.584 -0.274 0.000 1.101 2056 A CA -1.115 50.791 52.037 -0.218 0.000 0.674 2056 A CB 0.905 19.736 19.000 -0.281 0.000 1.277 2056 A HN 0.203 nan 8.150 nan 0.000 0.419 2057 K N 0.679 120.980 120.400 -0.164 0.000 2.270 2057 K HA 0.429 4.761 4.320 0.020 0.000 0.276 2057 K C -2.424 174.060 176.600 -0.194 0.000 1.023 2057 K CA -1.463 54.733 56.287 -0.152 0.000 0.955 2057 K CB 0.360 32.806 32.500 -0.090 0.000 0.975 2057 K HN 0.327 nan 8.250 nan 0.000 0.471 2058 P HA -0.021 nan 4.420 nan 0.000 0.258 2058 P C -2.389 174.823 177.300 -0.147 0.000 1.187 2058 P CA -0.812 62.179 63.100 -0.182 0.000 0.767 2058 P CB 0.204 31.826 31.700 -0.130 0.000 0.770 2059 P HA 0.037 nan 4.420 nan 0.000 0.232 2059 P C -0.533 176.683 177.300 -0.141 0.000 1.738 2059 P CA 0.443 63.457 63.100 -0.144 0.000 0.948 2059 P CB 0.001 31.617 31.700 -0.140 0.000 1.943 2060 L N -0.276 120.875 121.223 -0.120 0.000 2.387 2060 L HA 0.535 4.887 4.340 0.020 0.000 0.266 2060 L C 1.786 178.591 176.870 -0.109 0.000 1.059 2060 L CA -0.249 54.529 54.840 -0.104 0.000 0.801 2060 L CB 0.283 42.294 42.059 -0.081 0.000 1.223 2060 L HN 0.273 nan 8.230 nan 0.000 0.456 2061 G N 1.500 110.239 108.800 -0.101 0.000 2.685 2061 G HA2 -0.307 3.665 3.960 0.020 0.000 0.329 2061 G HA3 -0.307 3.665 3.960 0.020 0.000 0.329 2061 G C -1.183 173.645 174.900 -0.120 0.000 1.271 2061 G CA 0.448 45.489 45.100 -0.098 0.000 1.003 2061 G HN 0.635 nan 8.290 nan 0.000 0.549 2062 P HA 0.012 nan 4.420 nan 0.000 0.222 2062 P C 1.953 179.193 177.300 -0.101 0.000 1.147 2062 P CA 1.396 64.454 63.100 -0.071 0.000 0.790 2062 P CB -0.125 31.556 31.700 -0.032 0.000 0.780 2063 L N -1.128 120.022 121.223 -0.123 0.000 2.610 2063 L HA 0.072 4.424 4.340 0.020 0.000 0.232 2063 L C 1.768 178.489 176.870 -0.249 0.000 1.149 2063 L CA -0.106 54.645 54.840 -0.148 0.000 0.872 2063 L CB -0.529 41.459 42.059 -0.119 0.000 0.992 2063 L HN -0.047 nan 8.230 nan 0.000 0.447 2064 R N 0.599 120.907 120.500 -0.320 0.000 2.590 2064 R HA -0.018 4.334 4.340 0.020 0.000 0.274 2064 R C -0.121 175.775 176.300 -0.673 0.000 1.061 2064 R CA -0.162 55.588 56.100 -0.583 0.000 1.081 2064 R CB 0.252 30.115 30.300 -0.729 0.000 0.984 2064 R HN 0.051 nan 8.270 nan 0.000 0.448 2065 F N 0.034 119.606 119.950 -0.630 0.000 3.074 2065 F HA -0.274 4.266 4.527 0.020 0.000 0.289 2065 F C 0.185 174.979 175.800 -1.676 0.000 0.863 2065 F CA 1.419 58.690 58.000 -1.214 0.000 1.121 2065 F CB -2.643 36.079 39.000 -0.464 0.000 1.169 2065 F HN 0.676 nan 8.300 nan 0.000 0.570 2066 T N -3.804 110.075 114.554 -1.125 0.000 2.865 2066 T HA 0.807 5.169 4.350 0.020 0.000 0.294 2066 T C -3.001 171.594 174.700 -0.175 0.000 1.119 2066 T CA -2.444 59.283 62.100 -0.623 0.000 1.007 2066 T CB 3.276 72.013 68.868 -0.218 0.000 1.225 2066 T HN -0.253 nan 8.240 nan 0.000 0.515 2067 P HA 0.270 nan 4.420 nan 0.000 0.269 2067 P C -2.372 175.009 177.300 0.135 0.000 1.209 2067 P CA -0.965 62.299 63.100 0.273 0.000 0.776 2067 P CB -0.248 31.596 31.700 0.240 0.000 0.876 2068 P HA 0.089 nan 4.420 nan 0.000 0.276 2068 P C -0.807 176.547 177.300 0.089 0.000 1.230 2068 P CA 0.085 63.242 63.100 0.095 0.000 0.776 2068 P CB 0.883 32.673 31.700 0.150 0.000 0.888 2069 Q N 3.063 122.889 119.800 0.042 0.000 2.215 2069 Q HA 0.450 4.802 4.340 0.020 0.000 0.256 2069 Q C -2.261 173.771 176.000 0.053 0.000 0.972 2069 Q CA -2.194 53.637 55.803 0.046 0.000 0.889 2069 Q CB 0.424 29.171 28.738 0.014 0.000 1.281 2069 Q HN 0.367 nan 8.270 nan 0.000 0.456 2070 P HA -0.034 nan 4.420 nan 0.000 0.267 2070 P C -1.166 176.126 177.300 -0.013 0.000 1.200 2070 P CA 0.142 63.307 63.100 0.109 0.000 0.772 2070 P CB 0.415 32.199 31.700 0.140 0.000 0.855 2071 A N 2.425 125.209 122.820 -0.061 0.000 2.407 2071 A HA 0.126 4.458 4.320 0.020 0.000 0.248 2071 A C 0.207 177.560 177.584 -0.385 0.000 1.082 2071 A CA -0.255 51.675 52.037 -0.178 0.000 0.785 2071 A CB -0.215 18.758 19.000 -0.045 0.000 1.020 2071 A HN 0.544 nan 8.150 nan 0.000 0.489 2072 E N 2.563 122.656 120.200 -0.179 0.000 2.313 2072 E HA 0.275 4.637 4.350 0.020 0.000 0.276 2072 E C -2.142 174.390 176.600 -0.112 0.000 1.031 2072 E CA -1.601 54.713 56.400 -0.144 0.000 0.857 2072 E CB 0.559 30.235 29.700 -0.040 0.000 1.040 2072 E HN 0.532 nan 8.360 nan 0.000 0.408 2073 P HA -0.040 nan 4.420 nan 0.000 0.269 2073 P C -1.138 176.154 177.300 -0.013 0.000 1.209 2073 P CA -0.027 62.955 63.100 -0.197 0.000 0.776 2073 P CB 0.266 31.874 31.700 -0.153 0.000 0.876 2074 W N 1.129 122.447 121.300 0.029 0.000 2.578 2074 W HA 0.592 5.266 4.660 0.023 0.000 0.353 2074 W C 0.723 177.213 176.519 -0.048 0.000 1.088 2074 W CA -0.699 56.650 57.345 0.007 0.000 1.235 2074 W CB -0.313 29.178 29.460 0.052 0.000 1.362 2074 W HN 0.155 nan 8.180 nan 0.000 0.592 2075 S N 0.518 116.275 115.700 0.094 0.000 2.388 2075 S HA 0.053 4.535 4.470 0.020 0.000 0.223 2075 S C 0.694 175.053 174.600 -0.401 0.000 1.034 2075 S CA 0.726 58.757 58.200 -0.282 0.000 0.963 2075 S CB -0.284 62.568 63.200 -0.581 0.000 0.827 2075 S HN 0.469 nan 8.310 nan 0.000 0.481 2076 F N 0.231 120.318 119.950 0.227 0.000 2.929 2076 F HA 0.468 5.007 4.527 0.020 0.000 0.150 2076 F C 0.124 176.074 175.800 0.251 0.000 1.482 2076 F CA -0.853 57.255 58.000 0.180 0.000 0.962 2076 F CB -0.228 38.840 39.000 0.114 0.000 2.000 2076 F HN -0.266 nan 8.300 nan 0.000 0.408 2077 V N 1.122 121.290 119.914 0.423 0.000 2.384 2077 V HA 0.280 4.412 4.120 0.020 0.000 0.287 2077 V C -0.417 175.777 176.094 0.166 0.000 1.020 2077 V CA -1.062 61.410 62.300 0.285 0.000 0.850 2077 V CB 1.223 33.158 31.823 0.188 0.000 0.987 2077 V HN 0.330 nan 8.190 nan 0.000 0.436 2078 K N 4.303 124.747 120.400 0.073 0.000 2.234 2078 K HA 0.271 4.603 4.320 0.020 0.000 0.282 2078 K C 0.102 176.662 176.600 -0.067 0.000 1.039 2078 K CA -0.440 55.747 56.287 -0.166 0.000 0.928 2078 K CB 0.560 32.660 32.500 -0.666 0.000 1.039 2078 K HN 0.648 nan 8.250 nan 0.000 0.470 2079 N N 3.178 121.828 118.700 -0.085 0.000 2.508 2079 N HA 0.061 4.813 4.740 0.020 0.000 0.253 2079 N C -0.867 174.589 175.510 -0.089 0.000 1.145 2079 N CA -0.030 52.978 53.050 -0.069 0.000 0.973 2079 N CB 1.052 39.492 38.487 -0.077 0.000 1.305 2079 N HN 0.561 nan 8.380 nan 0.000 0.506 2080 A N 2.299 125.097 122.820 -0.038 0.000 3.118 2080 A HA 0.114 4.446 4.320 0.020 0.000 0.256 2080 A C 1.164 178.669 177.584 -0.131 0.000 1.667 2080 A CA -0.282 51.734 52.037 -0.035 0.000 1.338 2080 A CB -0.653 18.441 19.000 0.158 0.000 1.127 2080 A HN 0.557 nan 8.150 nan 0.000 0.634 2081 T N -3.574 110.874 114.554 -0.175 0.000 3.145 2081 T HA 0.349 4.711 4.350 0.020 0.000 0.281 2081 T C 0.294 174.835 174.700 -0.265 0.000 1.003 2081 T CA 0.021 61.984 62.100 -0.228 0.000 0.901 2081 T CB 0.046 68.804 68.868 -0.183 0.000 1.112 2081 T HN 0.192 nan 8.240 nan 0.000 0.535 2082 S N 0.652 116.191 115.700 -0.267 0.000 2.536 2082 S HA 0.630 5.112 4.470 0.020 0.000 0.298 2082 S C -1.341 173.074 174.600 -0.307 0.000 1.083 2082 S CA -0.727 57.320 58.200 -0.255 0.000 0.995 2082 S CB 0.903 64.002 63.200 -0.168 0.000 1.058 2082 S HN 0.316 nan 8.310 nan 0.000 0.488 2083 Y N 3.561 123.784 120.300 -0.128 0.000 2.442 2083 Y HA 0.240 4.795 4.550 0.008 0.000 0.330 2083 Y C -1.481 174.296 175.900 -0.204 0.000 1.129 2083 Y CA -1.297 56.723 58.100 -0.133 0.000 1.365 2083 Y CB 0.085 38.488 38.460 -0.095 0.000 1.233 2083 Y HN 0.406 nan 8.280 nan 0.000 0.529 2084 P HA 0.196 nan 4.420 nan 0.000 0.274 2084 P C -2.687 174.510 177.300 -0.172 0.000 1.246 2084 P CA -1.552 61.334 63.100 -0.356 0.000 0.795 2084 P CB 0.684 32.039 31.700 -0.574 0.000 1.006 2085 P HA 0.214 nan 4.420 nan 0.000 0.273 2085 P C -0.173 177.083 177.300 -0.074 0.000 1.250 2085 P CA -0.096 62.940 63.100 -0.107 0.000 0.793 2085 P CB 0.205 31.843 31.700 -0.103 0.000 1.011 2086 M N -0.594 118.952 119.600 -0.090 0.000 2.363 2086 M HA 0.462 4.954 4.480 0.020 0.000 0.343 2086 M C -0.711 175.514 176.300 -0.126 0.000 1.165 2086 M CA -0.678 54.564 55.300 -0.096 0.000 1.046 2086 M CB 0.598 33.129 32.600 -0.116 0.000 1.648 2086 M HN 0.104 nan 8.290 nan 0.000 0.452 2087 c N 2.154 120.676 118.600 -0.129 0.000 2.641 2087 c HA 0.059 4.641 4.570 0.020 0.000 0.412 2087 c C 1.051 174.967 174.090 -0.289 0.000 1.312 2087 c CA 0.025 56.228 56.329 -0.210 0.000 1.838 2087 c CB -0.569 41.844 42.510 -0.163 0.000 2.682 2087 c HN 0.879 nan 8.230 nan 0.000 0.627 2088 T N 4.431 118.662 114.554 -0.539 0.000 2.923 2088 T HA 0.301 4.663 4.350 0.020 0.000 0.304 2088 T C 0.039 174.524 174.700 -0.359 0.000 1.044 2088 T CA 0.470 62.196 62.100 -0.623 0.000 1.141 2088 T CB -0.053 68.026 68.868 -1.316 0.000 1.023 2088 T HN 0.896 nan 8.240 nan 0.000 0.533 2089 Q N 0.728 120.459 119.800 -0.115 0.000 2.907 2089 Q HA 0.271 4.623 4.340 0.020 0.000 0.310 2089 Q C -1.737 174.308 176.000 0.075 0.000 0.861 2089 Q CA -1.133 54.708 55.803 0.064 0.000 0.769 2089 Q CB 0.644 29.406 28.738 0.040 0.000 1.465 2089 Q HN 0.382 nan 8.270 nan 0.000 0.449 2090 D N 2.328 122.796 120.400 0.112 0.000 2.368 2090 D HA 0.066 4.718 4.640 0.020 0.000 0.268 2090 D C -1.243 175.080 176.300 0.038 0.000 1.298 2090 D CA -1.527 52.525 54.000 0.087 0.000 0.938 2090 D CB 1.006 41.866 40.800 0.100 0.000 1.101 2090 D HN 0.303 nan 8.370 nan 0.000 0.509 2091 P HA -0.208 nan 4.420 nan 0.000 0.216 2091 P C 0.994 178.287 177.300 -0.012 0.000 1.153 2091 P CA 1.351 64.446 63.100 -0.009 0.000 0.858 2091 P CB 0.434 32.127 31.700 -0.012 0.000 0.789 2092 K N -0.056 120.343 120.400 -0.002 0.000 2.025 2092 K HA -0.015 4.317 4.320 0.020 0.000 0.207 2092 K C 2.463 179.056 176.600 -0.011 0.000 1.049 2092 K CA 1.429 57.711 56.287 -0.007 0.000 0.933 2092 K CB -0.643 31.857 32.500 -0.000 0.000 0.714 2092 K HN 0.027 nan 8.250 nan 0.000 0.438 2093 A N 1.043 123.864 122.820 0.001 0.000 1.969 2093 A HA -0.060 4.272 4.320 0.020 0.000 0.218 2093 A C 2.335 179.909 177.584 -0.016 0.000 1.169 2093 A CA 1.809 53.844 52.037 -0.003 0.000 0.635 2093 A CB -0.960 18.055 19.000 0.025 0.000 0.810 2093 A HN 0.430 nan 8.150 nan 0.000 0.445 2094 G N -1.190 107.603 108.800 -0.012 0.000 2.394 2094 G HA2 -0.188 3.784 3.960 0.020 0.000 0.215 2094 G HA3 -0.188 3.784 3.960 0.020 0.000 0.215 2094 G C 1.603 176.471 174.900 -0.054 0.000 1.165 2094 G CA 0.900 45.984 45.100 -0.027 0.000 0.784 2094 G HN 0.572 nan 8.290 nan 0.000 0.535 2095 Q N -0.624 119.144 119.800 -0.054 0.000 2.167 2095 Q HA -0.029 4.323 4.340 0.020 0.000 0.202 2095 Q C 2.412 178.371 176.000 -0.067 0.000 0.970 2095 Q CA 0.819 56.582 55.803 -0.066 0.000 0.855 2095 Q CB -0.141 28.564 28.738 -0.054 0.000 0.911 2095 Q HN 0.395 nan 8.270 nan 0.000 0.438 2096 L N 0.459 121.647 121.223 -0.059 0.000 2.056 2096 L HA -0.152 4.200 4.340 0.020 0.000 0.207 2096 L C 2.071 178.878 176.870 -0.104 0.000 1.078 2096 L CA 1.423 56.224 54.840 -0.064 0.000 0.749 2096 L CB -0.679 41.345 42.059 -0.058 0.000 0.901 2096 L HN 0.328 nan 8.230 nan 0.000 0.433 2097 L N -1.367 119.780 121.223 -0.127 0.000 2.093 2097 L HA -0.123 4.229 4.340 0.020 0.000 0.208 2097 L C 2.633 179.392 176.870 -0.185 0.000 1.085 2097 L CA 2.001 56.712 54.840 -0.215 0.000 0.755 2097 L CB -0.903 41.076 42.059 -0.134 0.000 0.904 2097 L HN 0.404 nan 8.230 nan 0.000 0.435 2098 S N -0.621 115.008 115.700 -0.118 0.000 2.348 2098 S HA -0.223 4.259 4.470 0.020 0.000 0.221 2098 S C 1.872 176.397 174.600 -0.125 0.000 1.033 2098 S CA 1.621 59.740 58.200 -0.136 0.000 1.010 2098 S CB -0.292 62.818 63.200 -0.150 0.000 0.891 2098 S HN 0.625 nan 8.310 nan 0.000 0.442 2099 E N 0.533 120.678 120.200 -0.092 0.000 2.085 2099 E HA -0.153 4.209 4.350 0.020 0.000 0.194 2099 E C 2.141 178.746 176.600 0.008 0.000 0.994 2099 E CA 1.390 57.761 56.400 -0.049 0.000 0.801 2099 E CB -0.286 29.397 29.700 -0.028 0.000 0.743 2099 E HN 0.490 nan 8.360 nan 0.000 0.453 2100 L N -0.377 120.841 121.223 -0.009 0.000 2.056 2100 L HA -0.132 4.220 4.340 0.020 0.000 0.207 2100 L C 2.107 179.130 176.870 0.254 0.000 1.078 2100 L CA 0.789 55.677 54.840 0.079 0.000 0.749 2100 L CB -0.161 41.850 42.059 -0.081 0.000 0.901 2100 L HN 0.115 nan 8.230 nan 0.000 0.433 2101 F N -0.691 119.253 119.950 -0.011 0.000 2.698 2101 F HA 0.071 4.608 4.527 0.018 0.000 0.295 2101 F C 1.663 177.186 175.800 -0.461 0.000 1.124 2101 F CA -0.358 57.524 58.000 -0.198 0.000 1.426 2101 F CB -0.870 38.029 39.000 -0.168 0.000 1.120 2101 F HN -0.129 nan 8.300 nan 0.000 0.583 2102 T N 2.010 116.443 114.554 -0.202 0.000 2.946 2102 T HA -0.068 4.294 4.350 0.020 0.000 0.311 2102 T C 1.409 175.931 174.700 -0.297 0.000 1.063 2102 T CA 0.154 62.034 62.100 -0.367 0.000 1.139 2102 T CB 0.273 68.978 68.868 -0.271 0.000 0.994 2102 T HN 0.400 nan 8.240 nan 0.000 0.547 2103 N N 4.251 122.719 118.700 -0.388 0.000 2.325 2103 N HA -0.006 4.746 4.740 0.020 0.000 0.182 2103 N C 0.554 175.930 175.510 -0.224 0.000 1.088 2103 N CA -0.252 52.623 53.050 -0.293 0.000 0.879 2103 N CB 0.033 38.349 38.487 -0.284 0.000 0.983 2103 N HN 0.713 nan 8.380 nan 0.000 0.471 2104 R N 1.405 121.782 120.500 -0.205 0.000 2.560 2104 R HA 0.240 4.592 4.340 0.020 0.000 0.270 2104 R C 1.168 177.399 176.300 -0.115 0.000 1.074 2104 R CA -0.645 55.374 56.100 -0.136 0.000 1.140 2104 R CB 1.056 31.285 30.300 -0.118 0.000 1.073 2104 R HN -0.040 nan 8.270 nan 0.000 0.527 2105 K N 1.361 121.717 120.400 -0.074 0.000 1.988 2105 K HA -0.203 4.129 4.320 0.020 0.000 0.221 2105 K C -0.203 176.370 176.600 -0.044 0.000 1.053 2105 K CA 1.482 57.739 56.287 -0.049 0.000 0.959 2105 K CB -0.309 32.181 32.500 -0.016 0.000 0.728 2105 K HN 0.677 nan 8.250 nan 0.000 0.447 2106 E N 1.589 121.763 120.200 -0.044 0.000 2.156 2106 E HA 0.137 4.499 4.350 0.020 0.000 0.279 2106 E C -1.069 175.482 176.600 -0.082 0.000 0.965 2106 E CA -0.615 55.756 56.400 -0.048 0.000 0.789 2106 E CB 1.404 31.084 29.700 -0.033 0.000 1.098 2106 E HN 0.272 nan 8.360 nan 0.000 0.397 2107 N N 3.291 121.939 118.700 -0.088 0.000 2.441 2107 N HA 0.035 4.787 4.740 0.020 0.000 0.251 2107 N C -0.656 174.768 175.510 -0.143 0.000 1.242 2107 N CA -0.129 52.845 53.050 -0.128 0.000 0.898 2107 N CB 0.571 38.993 38.487 -0.108 0.000 1.100 2107 N HN 0.379 nan 8.380 nan 0.000 0.443 2108 I N 4.154 124.596 120.570 -0.213 0.000 2.336 2108 I HA 0.269 4.451 4.170 0.020 0.000 0.292 2108 I C -1.819 174.175 176.117 -0.204 0.000 0.991 2108 I CA -2.061 59.096 61.300 -0.239 0.000 1.227 2108 I CB 1.678 39.412 38.000 -0.444 0.000 1.366 2108 I HN 0.456 nan 8.210 nan 0.000 0.466 2109 P HA 0.251 nan 4.420 nan 0.000 0.276 2109 P C -1.133 176.099 177.300 -0.112 0.000 1.235 2109 P CA -0.013 63.022 63.100 -0.108 0.000 0.772 2109 P CB 0.922 32.578 31.700 -0.074 0.000 0.871 2110 L N 2.392 123.550 121.223 -0.109 0.000 2.333 2110 L HA 0.549 4.901 4.340 0.020 0.000 0.269 2110 L C 0.540 177.361 176.870 -0.082 0.000 1.010 2110 L CA -1.248 53.532 54.840 -0.100 0.000 0.818 2110 L CB 1.631 43.618 42.059 -0.119 0.000 1.306 2110 L HN 0.171 nan 8.230 nan 0.000 0.430 2111 K N 1.228 121.581 120.400 -0.078 0.000 2.110 2111 K HA 0.620 4.952 4.320 0.020 0.000 0.263 2111 K C -0.906 175.640 176.600 -0.090 0.000 0.975 2111 K CA -0.251 55.990 56.287 -0.076 0.000 0.895 2111 K CB 1.204 33.661 32.500 -0.072 0.000 1.060 2111 K HN 0.365 nan 8.250 nan 0.000 0.448 2112 L N 1.206 122.373 121.223 -0.093 0.000 2.357 2112 L HA 0.555 4.907 4.340 0.020 0.000 0.273 2112 L C 0.089 176.875 176.870 -0.140 0.000 1.080 2112 L CA -0.374 54.392 54.840 -0.123 0.000 0.803 2112 L CB 1.571 43.558 42.059 -0.120 0.000 1.174 2112 L HN 0.578 nan 8.230 nan 0.000 0.443 2113 S N 0.160 115.746 115.700 -0.190 0.000 2.586 2113 S HA 0.164 4.646 4.470 0.020 0.000 0.277 2113 S C 0.023 174.462 174.600 -0.269 0.000 1.131 2113 S CA -0.619 57.467 58.200 -0.190 0.000 0.848 2113 S CB 1.393 64.525 63.200 -0.114 0.000 1.091 2113 S HN 0.753 nan 8.310 nan 0.000 0.453 2114 E N 0.805 120.843 120.200 -0.269 0.000 2.216 2114 E HA -0.037 4.325 4.350 0.020 0.000 0.192 2114 E C -0.263 176.224 176.600 -0.188 0.000 0.988 2114 E CA 0.506 56.718 56.400 -0.312 0.000 0.834 2114 E CB 0.087 29.651 29.700 -0.226 0.000 0.772 2114 E HN 0.544 nan 8.360 nan 0.000 0.479 2115 D N 0.384 120.715 120.400 -0.115 0.000 2.508 2115 D HA -0.013 4.639 4.640 0.020 0.000 0.224 2115 D C 0.220 176.564 176.300 0.073 0.000 1.171 2115 D CA -0.249 53.722 54.000 -0.049 0.000 1.006 2115 D CB -0.149 40.650 40.800 -0.002 0.000 1.073 2115 D HN 0.147 nan 8.370 nan 0.000 0.513 2116 c N 1.811 120.401 118.600 -0.016 0.000 3.642 2116 c HA 0.380 4.962 4.570 0.020 0.000 0.305 2116 c C 0.901 175.000 174.090 0.015 0.000 1.492 2116 c CA -0.691 55.694 56.329 0.092 0.000 1.809 2116 c CB -1.317 41.176 42.510 -0.028 0.000 2.639 2116 c HN 0.417 nan 8.230 nan 0.000 0.672 2117 L N 2.468 123.473 121.223 -0.364 0.000 2.382 2117 L HA 0.315 4.667 4.340 0.020 0.000 0.259 2117 L C -0.760 175.498 176.870 -1.020 0.000 1.291 2117 L CA 0.595 55.019 54.840 -0.695 0.000 1.176 2117 L CB -0.920 40.555 42.059 -0.973 0.000 1.373 2117 L HN 0.396 nan 8.230 nan 0.000 0.426 2118 Y N 1.803 122.017 120.300 -0.144 0.000 2.602 2118 Y HA 0.707 5.271 4.550 0.023 0.000 0.342 2118 Y C -0.140 175.892 175.900 0.221 0.000 1.029 2118 Y CA -1.306 56.788 58.100 -0.010 0.000 1.080 2118 Y CB 1.927 40.356 38.460 -0.051 0.000 1.284 2118 Y HN 0.148 nan 8.280 nan 0.000 0.485 2119 L N -0.168 121.223 121.223 0.280 0.000 2.409 2119 L HA 0.725 5.077 4.340 0.020 0.000 0.262 2119 L C -1.448 175.465 176.870 0.072 0.000 0.992 2119 L CA -1.187 53.745 54.840 0.153 0.000 0.817 2119 L CB 1.745 43.798 42.059 -0.010 0.000 1.350 2119 L HN 0.402 nan 8.230 nan 0.000 0.411 2120 N N 2.235 121.004 118.700 0.115 0.000 2.405 2120 N HA 0.725 5.477 4.740 0.020 0.000 0.299 2120 N C -1.112 174.421 175.510 0.038 0.000 1.075 2120 N CA -0.201 52.883 53.050 0.056 0.000 0.884 2120 N CB 2.514 41.084 38.487 0.137 0.000 1.194 2120 N HN 0.689 nan 8.380 nan 0.000 0.491 2121 I N 1.760 122.274 120.570 -0.094 0.000 2.509 2121 I HA 0.319 4.501 4.170 0.020 0.000 0.293 2121 I C -1.120 174.930 176.117 -0.112 0.000 1.020 2121 I CA -0.757 60.530 61.300 -0.021 0.000 1.088 2121 I CB 1.260 39.165 38.000 -0.159 0.000 1.267 2121 I HN 0.334 nan 8.210 nan 0.000 0.430 2122 Y N 3.360 123.796 120.300 0.226 0.000 2.363 2122 Y HA 0.389 4.947 4.550 0.014 0.000 0.325 2122 Y C 0.243 176.281 175.900 0.230 0.000 0.984 2122 Y CA -0.726 57.508 58.100 0.224 0.000 1.248 2122 Y CB 1.968 40.534 38.460 0.176 0.000 1.116 2122 Y HN 0.363 nan 8.280 nan 0.000 0.470 2123 T N 5.068 119.850 114.554 0.380 0.000 2.792 2123 T HA 0.351 4.713 4.350 0.020 0.000 0.280 2123 T C -2.156 172.712 174.700 0.280 0.000 0.990 2123 T CA -2.333 59.965 62.100 0.330 0.000 0.960 2123 T CB 1.327 70.426 68.868 0.386 0.000 0.939 2123 T HN 0.359 nan 8.240 nan 0.000 0.439 2124 P HA 0.276 nan 4.420 nan 0.000 0.255 2124 P C 0.275 177.663 177.300 0.147 0.000 1.248 2124 P CA -0.160 63.028 63.100 0.147 0.000 0.807 2124 P CB 0.094 31.839 31.700 0.076 0.000 1.150 2125 A N 0.998 123.921 122.820 0.171 0.000 2.407 2125 A HA 0.148 4.480 4.320 0.020 0.000 0.248 2125 A C -0.032 177.647 177.584 0.158 0.000 1.082 2125 A CA -0.078 52.048 52.037 0.147 0.000 0.785 2125 A CB -0.379 18.709 19.000 0.146 0.000 1.020 2125 A HN -0.013 nan 8.150 nan 0.000 0.489 2126 D N 2.057 122.528 120.400 0.118 0.000 2.422 2126 D HA 0.284 4.936 4.640 0.020 0.000 0.227 2126 D C 0.931 177.300 176.300 0.114 0.000 1.190 2126 D CA -0.124 53.942 54.000 0.111 0.000 0.905 2126 D CB -0.148 40.693 40.800 0.068 0.000 1.034 2126 D HN 0.412 nan 8.370 nan 0.000 0.507 2127 L N 2.523 123.839 121.223 0.154 0.000 2.351 2127 L HA -0.163 4.189 4.340 0.020 0.000 0.220 2127 L C 2.369 179.289 176.870 0.084 0.000 1.127 2127 L CA 1.434 56.347 54.840 0.122 0.000 0.786 2127 L CB -0.884 41.267 42.059 0.153 0.000 0.914 2127 L HN 0.534 nan 8.230 nan 0.000 0.443 2128 T N -3.430 111.176 114.554 0.086 0.000 3.072 2128 T HA -0.009 4.353 4.350 0.020 0.000 0.266 2128 T C 0.735 175.460 174.700 0.042 0.000 1.127 2128 T CA 0.497 62.634 62.100 0.061 0.000 1.107 2128 T CB -0.028 68.874 68.868 0.058 0.000 0.910 2128 T HN 0.312 nan 8.240 nan 0.000 0.513 2129 K N 0.004 120.430 120.400 0.044 0.000 2.409 2129 K HA 0.572 4.904 4.320 0.020 0.000 0.252 2129 K C -0.884 175.736 176.600 0.033 0.000 1.036 2129 K CA -1.120 55.187 56.287 0.033 0.000 0.871 2129 K CB 1.704 34.224 32.500 0.033 0.000 1.374 2129 K HN -0.074 nan 8.250 nan 0.000 0.459 2130 K N 1.617 122.032 120.400 0.025 0.000 2.218 2130 K HA 0.281 4.613 4.320 0.020 0.000 0.276 2130 K C -0.589 176.030 176.600 0.032 0.000 1.022 2130 K CA -0.363 55.938 56.287 0.023 0.000 0.946 2130 K CB 0.534 33.041 32.500 0.013 0.000 1.000 2130 K HN 0.442 nan 8.250 nan 0.000 0.468 2131 N N 1.803 120.526 118.700 0.039 0.000 2.308 2131 N HA 0.283 5.035 4.740 0.020 0.000 0.283 2131 N C -1.024 174.515 175.510 0.048 0.000 1.105 2131 N CA -0.709 52.370 53.050 0.049 0.000 0.840 2131 N CB 1.871 40.399 38.487 0.069 0.000 1.633 2131 N HN 0.315 nan 8.380 nan 0.000 0.476 2132 R N 1.836 122.362 120.500 0.043 0.000 2.782 2132 R HA 0.354 4.706 4.340 0.020 0.000 0.293 2132 R C -0.267 176.058 176.300 0.042 0.000 1.333 2132 R CA -0.314 55.808 56.100 0.038 0.000 1.479 2132 R CB 0.336 30.647 30.300 0.018 0.000 1.306 2132 R HN 0.490 nan 8.270 nan 0.000 0.654 2133 L N 2.695 123.955 121.223 0.062 0.000 2.439 2133 L HA 0.278 4.630 4.340 0.020 0.000 0.269 2133 L C -1.594 175.315 176.870 0.065 0.000 1.179 2133 L CA -1.658 53.221 54.840 0.064 0.000 0.828 2133 L CB 0.099 42.208 42.059 0.084 0.000 1.106 2133 L HN -0.093 nan 8.230 nan 0.000 0.467 2134 P HA 0.050 nan 4.420 nan 0.000 0.269 2134 P C -0.850 176.501 177.300 0.085 0.000 1.209 2134 P CA -0.114 63.017 63.100 0.051 0.000 0.776 2134 P CB 1.031 32.746 31.700 0.025 0.000 0.876 2135 V N 4.415 124.392 119.914 0.106 0.000 2.459 2135 V HA 0.391 4.523 4.120 0.020 0.000 0.295 2135 V C 0.562 176.752 176.094 0.160 0.000 1.029 2135 V CA -0.422 61.964 62.300 0.144 0.000 0.874 2135 V CB 1.258 33.176 31.823 0.158 0.000 0.985 2135 V HN 0.498 nan 8.190 nan 0.000 0.438 2136 M N 4.652 124.374 119.600 0.203 0.000 2.125 2136 M HA 0.478 4.970 4.480 0.020 0.000 0.321 2136 M C -1.102 175.510 176.300 0.520 0.000 0.983 2136 M CA -0.557 54.908 55.300 0.275 0.000 0.934 2136 M CB 1.965 34.621 32.600 0.094 0.000 1.542 2136 M HN 0.373 nan 8.290 nan 0.000 0.424 2137 V N 3.959 124.178 119.914 0.508 0.000 2.333 2137 V HA 0.273 4.405 4.120 0.020 0.000 0.274 2137 V C -0.556 175.775 176.094 0.393 0.000 1.028 2137 V CA -0.539 61.999 62.300 0.397 0.000 0.851 2137 V CB 0.925 32.871 31.823 0.205 0.000 1.000 2137 V HN 0.823 nan 8.190 nan 0.000 0.456 2138 W N 7.219 128.537 121.300 0.030 0.000 2.365 2138 W HA 0.619 5.293 4.660 0.024 0.000 0.316 2138 W C -1.241 175.145 176.519 -0.222 0.000 1.164 2138 W CA -0.848 56.235 57.345 -0.437 0.000 1.204 2138 W CB 1.253 30.447 29.460 -0.443 0.000 1.213 2138 W HN 0.413 nan 8.180 nan 0.000 0.539 2139 I N 7.857 127.654 120.570 -1.289 0.000 2.437 2139 I HA 0.044 4.226 4.170 0.020 0.000 0.279 2139 I C 0.920 176.273 176.117 -1.274 0.000 1.028 2139 I CA -0.812 59.937 61.300 -0.917 0.000 1.142 2139 I CB 0.837 38.471 38.000 -0.610 0.000 1.266 2139 I HN 0.407 nan 8.210 nan 0.000 0.461 2140 H N 4.595 123.247 119.070 -0.696 0.000 2.836 2140 H HA 0.334 4.903 4.556 0.022 0.000 0.368 2140 H C 0.006 175.327 175.328 -0.012 0.000 1.164 2140 H CA -0.186 55.697 56.048 -0.275 0.000 1.425 2140 H CB 0.934 30.828 29.762 0.220 0.000 1.414 2140 H HN 0.596 nan 8.280 nan 0.000 0.614 2141 G N -1.485 107.467 108.800 0.254 0.000 2.671 2141 G HA2 0.471 4.443 3.960 0.020 0.000 0.275 2141 G HA3 0.471 4.443 3.960 0.020 0.000 0.275 2141 G C 0.346 175.524 174.900 0.463 0.000 1.368 2141 G CA -0.727 44.538 45.100 0.276 0.000 1.044 2141 G HN 1.204 nan 8.290 nan 0.000 0.543 2142 G N -2.867 106.151 108.800 0.363 0.000 2.215 2142 G HA2 0.401 4.373 3.960 0.020 0.000 0.187 2142 G HA3 0.401 4.373 3.960 0.020 0.000 0.187 2142 G C 1.089 176.105 174.900 0.194 0.000 1.039 2142 G CA 0.767 46.048 45.100 0.301 0.000 0.771 2142 G HN 2.333 nan 8.290 nan 0.000 0.507 2143 G N 0.036 108.931 108.800 0.160 0.000 2.180 2143 G HA2 -0.208 3.764 3.960 0.020 0.000 0.263 2143 G HA3 -0.208 3.764 3.960 0.020 0.000 0.263 2143 G C 1.163 176.056 174.900 -0.013 0.000 0.989 2143 G CA 0.941 46.078 45.100 0.062 0.000 0.692 2143 G HN 1.786 nan 8.290 nan 0.000 0.526 2144 L N -3.519 117.741 121.223 0.061 0.000 4.937 2144 L HA -0.252 4.100 4.340 0.020 0.000 0.422 2144 L C 1.953 178.898 176.870 0.126 0.000 1.059 2144 L CA 1.589 56.467 54.840 0.064 0.000 1.111 2144 L CB -1.641 40.160 42.059 -0.431 0.000 2.033 2144 L HN 0.406 nan 8.230 nan 0.000 0.708 2145 M N -1.080 118.583 119.600 0.104 0.000 2.653 2145 M HA 0.334 4.826 4.480 0.020 0.000 0.259 2145 M C 0.859 177.247 176.300 0.146 0.000 1.244 2145 M CA 1.286 56.655 55.300 0.116 0.000 1.163 2145 M CB 0.501 33.143 32.600 0.069 0.000 1.309 2145 M HN 0.262 nan 8.290 nan 0.000 0.509 2146 V N -2.894 117.104 119.914 0.141 0.000 3.165 2146 V HA 1.046 5.178 4.120 0.020 0.000 0.309 2146 V C -0.261 175.921 176.094 0.148 0.000 1.267 2146 V CA -0.171 62.195 62.300 0.111 0.000 1.067 2146 V CB 1.296 33.168 31.823 0.082 0.000 1.082 2146 V HN 0.528 nan 8.190 nan 0.000 0.451 2147 G N -0.878 107.949 108.800 0.045 0.000 2.381 2147 G HA2 0.633 4.605 3.960 0.020 0.000 0.672 2147 G HA3 0.633 4.605 3.960 0.020 0.000 0.672 2147 G C -0.596 174.032 174.900 -0.453 0.000 1.324 2147 G CA -0.145 44.906 45.100 -0.082 0.000 0.975 2147 G HN 2.815 nan 8.290 nan 0.000 0.593 2148 A N -1.636 120.665 122.820 -0.865 0.000 2.586 2148 A HA 1.020 5.352 4.320 0.020 0.000 0.291 2148 A C 0.606 178.004 177.584 -0.310 0.000 1.062 2148 A CA 0.813 52.513 52.037 -0.562 0.000 0.666 2148 A CB 0.630 19.491 19.000 -0.232 0.000 1.281 2148 A HN 2.556 nan 8.150 nan 0.000 0.421 2149 A N -0.048 122.785 122.820 0.023 0.000 2.030 2149 A HA 0.264 4.596 4.320 0.020 0.000 0.215 2149 A C 1.860 179.599 177.584 0.258 0.000 1.164 2149 A CA 1.953 54.167 52.037 0.294 0.000 0.697 2149 A CB -0.571 18.625 19.000 0.326 0.000 0.827 2149 A HN 1.118 nan 8.150 nan 0.000 0.457 2150 S N 0.178 115.950 115.700 0.121 0.000 2.442 2150 S HA -0.110 4.372 4.470 0.020 0.000 0.236 2150 S C 1.844 176.359 174.600 -0.142 0.000 1.007 2150 S CA 1.566 59.802 58.200 0.060 0.000 0.965 2150 S CB -0.435 62.744 63.200 -0.034 0.000 0.773 2150 S HN 0.689 nan 8.310 nan 0.000 0.504 2151 T N 0.935 115.368 114.554 -0.203 0.000 2.759 2151 T HA -0.091 4.271 4.350 0.020 0.000 0.269 2151 T C 0.071 174.360 174.700 -0.684 0.000 1.042 2151 T CA 1.115 62.931 62.100 -0.473 0.000 1.140 2151 T CB -0.313 68.177 68.868 -0.630 0.000 0.864 2151 T HN 0.414 nan 8.240 nan 0.000 0.455 2152 Y N 1.769 121.859 120.300 -0.349 0.000 2.383 2152 Y HA 0.432 4.996 4.550 0.023 0.000 0.344 2152 Y C 0.109 175.721 175.900 -0.480 0.000 0.986 2152 Y CA -2.047 55.636 58.100 -0.695 0.000 1.175 2152 Y CB 0.346 38.077 38.460 -1.216 0.000 1.152 2152 Y HN -0.079 nan 8.280 nan 0.000 0.511 2153 D N 2.567 122.743 120.400 -0.372 0.000 2.347 2153 D HA 0.188 4.840 4.640 0.020 0.000 0.235 2153 D C 0.931 176.940 176.300 -0.486 0.000 1.149 2153 D CA -0.244 53.574 54.000 -0.304 0.000 0.850 2153 D CB 1.376 42.088 40.800 -0.147 0.000 1.061 2153 D HN 0.837 nan 8.370 nan 0.000 0.487 2154 G N 3.637 111.736 108.800 -1.168 0.000 3.181 2154 G HA2 -0.051 3.921 3.960 0.020 0.000 0.219 2154 G HA3 -0.051 3.921 3.960 0.020 0.000 0.219 2154 G C 1.432 176.013 174.900 -0.531 0.000 1.182 2154 G CA -0.218 44.418 45.100 -0.772 0.000 0.791 2154 G HN 0.552 nan 8.290 nan 0.000 0.537 2155 L N 0.281 121.258 121.223 -0.409 0.000 1.970 2155 L HA -0.122 4.230 4.340 0.020 0.000 0.212 2155 L C 3.171 180.012 176.870 -0.048 0.000 1.071 2155 L CA 1.758 56.568 54.840 -0.050 0.000 0.751 2155 L CB -0.357 41.728 42.059 0.043 0.000 0.889 2155 L HN 0.341 nan 8.230 nan 0.000 0.432 2156 A N -0.220 122.585 122.820 -0.025 0.000 1.841 2156 A HA -0.301 4.031 4.320 0.020 0.000 0.216 2156 A C 2.117 179.676 177.584 -0.042 0.000 1.199 2156 A CA 2.083 54.126 52.037 0.010 0.000 0.621 2156 A CB -1.149 17.878 19.000 0.045 0.000 0.835 2156 A HN 0.447 nan 8.150 nan 0.000 0.445 2157 L N -0.219 120.967 121.223 -0.061 0.000 2.043 2157 L HA -0.180 4.172 4.340 0.020 0.000 0.212 2157 L C 2.709 179.557 176.870 -0.037 0.000 1.075 2157 L CA 2.396 57.194 54.840 -0.069 0.000 0.752 2157 L CB -0.963 41.040 42.059 -0.093 0.000 0.891 2157 L HN 0.429 nan 8.230 nan 0.000 0.432 2158 A N -0.597 122.211 122.820 -0.020 0.000 1.841 2158 A HA -0.181 4.151 4.320 0.020 0.000 0.216 2158 A C 2.440 179.977 177.584 -0.079 0.000 1.199 2158 A CA 2.508 54.555 52.037 0.017 0.000 0.621 2158 A CB -1.384 17.678 19.000 0.104 0.000 0.835 2158 A HN 0.588 nan 8.150 nan 0.000 0.445 2159 A N -1.886 120.788 122.820 -0.243 0.000 1.897 2159 A HA -0.138 4.194 4.320 0.020 0.000 0.215 2159 A C 2.078 179.228 177.584 -0.724 0.000 1.181 2159 A CA 1.454 53.144 52.037 -0.579 0.000 0.620 2159 A CB -0.942 17.453 19.000 -1.008 0.000 0.821 2159 A HN 0.687 nan 8.150 nan 0.000 0.443 2160 H N -0.594 118.106 119.070 -0.617 0.000 2.387 2160 H HA -0.045 4.521 4.556 0.017 0.000 0.299 2160 H C 0.870 176.162 175.328 -0.060 0.000 1.090 2160 H CA 1.622 57.508 56.048 -0.270 0.000 1.332 2160 H CB 0.285 29.860 29.762 -0.311 0.000 1.386 2160 H HN 0.418 nan 8.280 nan 0.000 0.516 2161 E N 0.145 120.367 120.200 0.036 0.000 2.583 2161 E HA 0.000 4.362 4.350 0.020 0.000 0.213 2161 E C -0.096 176.529 176.600 0.042 0.000 0.989 2161 E CA -0.300 56.129 56.400 0.049 0.000 0.991 2161 E CB -0.052 29.672 29.700 0.040 0.000 1.040 2161 E HN 0.348 nan 8.360 nan 0.000 0.481 2162 N N 1.134 119.849 118.700 0.025 0.000 2.667 2162 N HA -0.174 4.578 4.740 0.020 0.000 0.263 2162 N C -0.563 174.982 175.510 0.058 0.000 1.038 2162 N CA 0.768 53.844 53.050 0.043 0.000 0.749 2162 N CB -0.850 37.672 38.487 0.058 0.000 0.892 2162 N HN 0.041 nan 8.380 nan 0.000 0.546 2163 V N -2.389 117.565 119.914 0.066 0.000 3.078 2163 V HA 0.696 4.828 4.120 0.020 0.000 0.311 2163 V C 0.324 176.495 176.094 0.130 0.000 1.138 2163 V CA -0.976 61.376 62.300 0.087 0.000 1.007 2163 V CB 2.184 34.048 31.823 0.069 0.000 1.045 2163 V HN -0.105 nan 8.190 nan 0.000 0.432 2164 V N 2.809 122.816 119.914 0.155 0.000 2.432 2164 V HA 0.415 4.547 4.120 0.020 0.000 0.271 2164 V C 0.123 176.361 176.094 0.240 0.000 1.046 2164 V CA -0.209 62.215 62.300 0.206 0.000 0.945 2164 V CB 1.248 33.191 31.823 0.199 0.000 0.992 2164 V HN 0.733 nan 8.190 nan 0.000 0.471 2165 V N 6.152 126.250 119.914 0.308 0.000 2.398 2165 V HA 0.468 4.600 4.120 0.020 0.000 0.286 2165 V C -0.146 176.209 176.094 0.434 0.000 1.026 2165 V CA -0.487 62.037 62.300 0.374 0.000 0.868 2165 V CB 1.788 33.813 31.823 0.337 0.000 0.982 2165 V HN 0.593 nan 8.190 nan 0.000 0.443 2166 V N 4.091 124.245 119.914 0.399 0.000 2.443 2166 V HA 0.461 4.593 4.120 0.020 0.000 0.293 2166 V C 0.187 176.496 176.094 0.359 0.000 1.021 2166 V CA -0.518 61.978 62.300 0.328 0.000 0.848 2166 V CB 2.124 34.078 31.823 0.217 0.000 0.998 2166 V HN 0.997 nan 8.190 nan 0.000 0.424 2167 T N 3.894 118.673 114.554 0.374 0.000 2.749 2167 T HA 0.781 5.143 4.350 0.020 0.000 0.287 2167 T C -0.291 174.584 174.700 0.292 0.000 0.970 2167 T CA -0.464 61.873 62.100 0.395 0.000 0.980 2167 T CB 1.174 70.307 68.868 0.441 0.000 0.924 2167 T HN 0.647 nan 8.240 nan 0.000 0.456 2168 I N 0.384 121.101 120.570 0.245 0.000 2.947 2168 I HA 0.680 4.862 4.170 0.020 0.000 0.314 2168 I C -0.651 175.667 176.117 0.336 0.000 1.028 2168 I CA -1.282 60.142 61.300 0.207 0.000 1.077 2168 I CB 1.876 39.894 38.000 0.030 0.000 1.274 2168 I HN 0.558 nan 8.210 nan 0.000 0.485 2169 Q N 1.625 121.665 119.800 0.400 0.000 2.423 2169 Q HA 0.530 4.882 4.340 0.020 0.000 0.278 2169 Q C -1.954 174.318 176.000 0.452 0.000 1.097 2169 Q CA -0.777 55.250 55.803 0.373 0.000 0.809 2169 Q CB 2.903 31.805 28.738 0.273 0.000 1.391 2169 Q HN 0.722 nan 8.270 nan 0.000 0.428 2170 Y N -2.330 118.120 120.300 0.250 0.000 2.588 2170 Y HA 0.579 5.141 4.550 0.021 0.000 0.343 2170 Y C -0.738 175.250 175.900 0.146 0.000 1.065 2170 Y CA -1.464 56.749 58.100 0.189 0.000 1.038 2170 Y CB 0.893 39.418 38.460 0.109 0.000 1.297 2170 Y HN 0.401 nan 8.280 nan 0.000 0.467 2171 R N 1.871 122.500 120.500 0.215 0.000 2.570 2171 R HA 0.379 4.731 4.340 0.020 0.000 0.277 2171 R C -0.853 175.575 176.300 0.213 0.000 1.039 2171 R CA 0.072 56.253 56.100 0.135 0.000 1.065 2171 R CB 0.266 30.654 30.300 0.145 0.000 0.964 2171 R HN 0.684 nan 8.270 nan 0.000 0.428 2172 L N 1.442 122.803 121.223 0.229 0.000 2.304 2172 L HA 0.485 4.837 4.340 0.020 0.000 0.268 2172 L C 1.349 178.530 176.870 0.517 0.000 1.010 2172 L CA -0.460 54.603 54.840 0.372 0.000 0.813 2172 L CB 1.413 43.594 42.059 0.204 0.000 1.315 2172 L HN 0.896 nan 8.230 nan 0.000 0.445 2173 G N 0.592 109.687 108.800 0.492 0.000 2.627 2173 G HA2 -0.348 3.624 3.960 0.020 0.000 0.312 2173 G HA3 -0.348 3.624 3.960 0.020 0.000 0.312 2173 G C 0.887 176.050 174.900 0.439 0.000 1.299 2173 G CA 0.694 46.020 45.100 0.377 0.000 0.989 2173 G HN 0.667 nan 8.290 nan 0.000 0.547 2174 I N -0.606 120.145 120.570 0.302 0.000 2.145 2174 I HA -0.244 3.938 4.170 0.020 0.000 0.244 2174 I C 2.848 179.189 176.117 0.373 0.000 1.075 2174 I CA 2.560 63.986 61.300 0.210 0.000 1.332 2174 I CB -0.371 37.510 38.000 -0.198 0.000 1.033 2174 I HN 0.559 nan 8.210 nan 0.000 0.410 2175 W N 0.666 122.151 121.300 0.308 0.000 2.338 2175 W HA -0.130 4.544 4.660 0.023 0.000 0.304 2175 W C 2.384 179.031 176.519 0.213 0.000 1.212 2175 W CA 1.413 58.858 57.345 0.167 0.000 1.264 2175 W CB -0.939 28.532 29.460 0.019 0.000 1.142 2175 W HN 0.252 nan 8.180 nan 0.000 0.512 2176 G N -2.461 106.580 108.800 0.401 0.000 2.986 2176 G HA2 0.057 4.029 3.960 0.020 0.000 0.213 2176 G HA3 0.057 4.029 3.960 0.020 0.000 0.213 2176 G C 0.629 175.153 174.900 -0.625 0.000 1.156 2176 G CA 0.057 45.132 45.100 -0.042 0.000 0.763 2176 G HN 0.131 nan 8.290 nan 0.000 0.547 2177 F N -1.168 119.040 119.950 0.429 0.000 2.899 2177 F HA 0.400 4.939 4.527 0.019 0.000 0.337 2177 F C 0.184 176.095 175.800 0.186 0.000 1.129 2177 F CA -1.707 56.406 58.000 0.189 0.000 1.128 2177 F CB 0.245 39.264 39.000 0.032 0.000 1.154 2177 F HN -0.006 nan 8.300 nan 0.000 0.531 2178 F N 2.346 122.502 119.950 0.343 0.000 2.571 2178 F HA 0.335 4.874 4.527 0.020 0.000 0.384 2178 F C 0.481 176.359 175.800 0.131 0.000 1.058 2178 F CA 0.212 58.282 58.000 0.118 0.000 1.200 2178 F CB 0.397 39.270 39.000 -0.211 0.000 1.077 2178 F HN -0.088 nan 8.300 nan 0.000 0.558 2179 S N 3.798 119.064 115.700 -0.723 0.000 2.557 2179 S HA 0.323 4.805 4.470 0.020 0.000 0.291 2179 S C 0.450 174.678 174.600 -0.620 0.000 1.116 2179 S CA -0.078 57.828 58.200 -0.490 0.000 0.992 2179 S CB 1.332 64.375 63.200 -0.261 0.000 1.028 2179 S HN 0.798 nan 8.310 nan 0.000 0.484 2180 T N 1.017 115.354 114.554 -0.362 0.000 3.107 2180 T HA 0.374 4.736 4.350 0.020 0.000 0.249 2180 T C 1.511 176.148 174.700 -0.104 0.000 1.096 2180 T CA 0.589 62.564 62.100 -0.210 0.000 1.012 2180 T CB -0.168 68.694 68.868 -0.010 0.000 0.977 2180 T HN 1.768 nan 8.240 nan 0.000 0.527 2181 G N 2.086 110.820 108.800 -0.111 0.000 2.179 2181 G HA2 -0.218 3.754 3.960 0.020 0.000 0.260 2181 G HA3 -0.218 3.754 3.960 0.020 0.000 0.260 2181 G C -0.240 174.638 174.900 -0.038 0.000 0.977 2181 G CA 0.385 45.441 45.100 -0.073 0.000 0.641 2181 G HN 0.915 nan 8.290 nan 0.000 0.533 2182 D N -1.639 118.754 120.400 -0.012 0.000 2.781 2182 D HA 0.470 5.122 4.640 0.020 0.000 0.295 2182 D C 1.361 177.648 176.300 -0.021 0.000 1.143 2182 D CA -0.052 53.944 54.000 -0.007 0.000 1.076 2182 D CB -0.260 40.559 40.800 0.032 0.000 1.444 2182 D HN 0.119 nan 8.370 nan 0.000 0.567 2183 E N -0.250 119.889 120.200 -0.102 0.000 2.333 2183 E HA -0.243 4.119 4.350 0.020 0.000 0.198 2183 E C 0.961 177.476 176.600 -0.141 0.000 1.007 2183 E CA 1.227 57.540 56.400 -0.145 0.000 0.845 2183 E CB -0.587 28.980 29.700 -0.221 0.000 0.766 2183 E HN 0.517 nan 8.360 nan 0.000 0.507 2184 H N 0.406 119.539 119.070 0.106 0.000 2.495 2184 H HA 0.145 4.713 4.556 0.020 0.000 0.287 2184 H C 0.467 175.919 175.328 0.207 0.000 1.033 2184 H CA 1.203 57.331 56.048 0.133 0.000 1.307 2184 H CB 0.481 30.306 29.762 0.104 0.000 1.401 2184 H HN 0.121 nan 8.280 nan 0.000 0.555 2185 S N -0.198 115.688 115.700 0.310 0.000 2.777 2185 S HA 0.188 4.670 4.470 0.020 0.000 0.140 2185 S C 0.870 175.635 174.600 0.275 0.000 1.233 2185 S CA -0.570 57.902 58.200 0.454 0.000 1.157 2185 S CB 0.133 63.564 63.200 0.385 0.000 1.600 2185 S HN 0.166 nan 8.310 nan 0.000 0.432 2186 R N 1.369 121.976 120.500 0.177 0.000 2.119 2186 R HA 0.069 4.421 4.340 0.020 0.000 0.246 2186 R C 1.445 177.552 176.300 -0.321 0.000 1.146 2186 R CA 1.431 57.471 56.100 -0.100 0.000 0.962 2186 R CB -0.312 29.904 30.300 -0.139 0.000 0.863 2186 R HN 0.849 nan 8.270 nan 0.000 0.442 2187 G N -0.544 107.807 108.800 -0.749 0.000 2.549 2187 G HA2 -0.223 3.749 3.960 0.020 0.000 0.404 2187 G HA3 -0.223 3.749 3.960 0.020 0.000 0.404 2187 G C -0.596 173.534 174.900 -1.283 0.000 1.292 2187 G CA -0.363 44.154 45.100 -0.972 0.000 0.935 2187 G HN 0.274 nan 8.290 nan 0.000 0.512 2188 N N -1.213 117.054 118.700 -0.723 0.000 2.747 2188 N HA -0.189 4.563 4.740 0.020 0.000 0.249 2188 N C 1.094 176.304 175.510 -0.500 0.000 1.107 2188 N CA 1.937 54.755 53.050 -0.386 0.000 0.707 2188 N CB -1.531 36.880 38.487 -0.126 0.000 1.054 2188 N HN 0.703 nan 8.380 nan 0.000 0.555 2189 W N 0.315 121.471 121.300 -0.240 0.000 2.358 2189 W HA -0.010 4.661 4.660 0.019 0.000 0.303 2189 W C 2.460 178.848 176.519 -0.218 0.000 1.208 2189 W CA 0.763 58.012 57.345 -0.160 0.000 1.274 2189 W CB -0.641 28.766 29.460 -0.089 0.000 1.138 2189 W HN 0.280 nan 8.180 nan 0.000 0.515 2190 G N -0.069 108.488 108.800 -0.404 0.000 2.418 2190 G HA2 -0.256 3.716 3.960 0.020 0.000 0.217 2190 G HA3 -0.256 3.716 3.960 0.020 0.000 0.217 2190 G C 1.249 176.096 174.900 -0.088 0.000 1.158 2190 G CA 1.284 46.266 45.100 -0.197 0.000 0.771 2190 G HN 0.281 nan 8.290 nan 0.000 0.545 2191 H N 0.277 119.321 119.070 -0.043 0.000 2.389 2191 H HA 0.103 4.671 4.556 0.020 0.000 0.299 2191 H C 2.726 178.038 175.328 -0.025 0.000 1.081 2191 H CA 0.717 56.733 56.048 -0.054 0.000 1.345 2191 H CB -0.305 29.443 29.762 -0.023 0.000 1.393 2191 H HN 0.269 nan 8.280 nan 0.000 0.520 2192 L N 0.447 121.745 121.223 0.126 0.000 2.083 2192 L HA -0.163 4.189 4.340 0.020 0.000 0.209 2192 L C 2.099 179.067 176.870 0.164 0.000 1.083 2192 L CA 1.047 55.967 54.840 0.135 0.000 0.752 2192 L CB -0.242 41.920 42.059 0.172 0.000 0.899 2192 L HN 0.109 nan 8.230 nan 0.000 0.433 2193 D N -0.188 120.331 120.400 0.198 0.000 2.149 2193 D HA -0.206 4.446 4.640 0.020 0.000 0.198 2193 D C 2.274 178.693 176.300 0.198 0.000 0.990 2193 D CA 1.130 55.311 54.000 0.301 0.000 0.839 2193 D CB -0.090 40.927 40.800 0.360 0.000 0.948 2193 D HN 0.390 nan 8.370 nan 0.000 0.460 2194 Q N 0.026 119.873 119.800 0.079 0.000 2.084 2194 Q HA -0.087 4.265 4.340 0.020 0.000 0.202 2194 Q C 2.383 178.347 176.000 -0.060 0.000 0.978 2194 Q CA 0.814 56.586 55.803 -0.051 0.000 0.844 2194 Q CB 0.046 28.711 28.738 -0.121 0.000 0.898 2194 Q HN 0.128 nan 8.270 nan 0.000 0.426 2195 V N 0.737 120.657 119.914 0.010 0.000 2.407 2195 V HA -0.274 3.858 4.120 0.020 0.000 0.248 2195 V C 2.182 178.305 176.094 0.048 0.000 1.055 2195 V CA 1.745 64.064 62.300 0.033 0.000 1.049 2195 V CB -0.939 30.920 31.823 0.060 0.000 0.662 2195 V HN 0.417 nan 8.190 nan 0.000 0.455 2196 A N -0.057 122.818 122.820 0.091 0.000 1.933 2196 A HA -0.080 4.252 4.320 0.020 0.000 0.218 2196 A C 2.403 180.018 177.584 0.052 0.000 1.175 2196 A CA 1.966 54.103 52.037 0.167 0.000 0.628 2196 A CB -0.640 18.564 19.000 0.341 0.000 0.814 2196 A HN 0.559 nan 8.150 nan 0.000 0.444 2197 A N -0.291 122.322 122.820 -0.346 0.000 1.898 2197 A HA 0.033 4.365 4.320 0.020 0.000 0.216 2197 A C 2.130 179.634 177.584 -0.133 0.000 1.181 2197 A CA 1.322 52.938 52.037 -0.703 0.000 0.620 2197 A CB -0.532 17.817 19.000 -1.083 0.000 0.819 2197 A HN 0.458 nan 8.150 nan 0.000 0.442 2198 L N -1.129 120.058 121.223 -0.061 0.000 2.083 2198 L HA -0.150 4.202 4.340 0.020 0.000 0.209 2198 L C 2.776 179.698 176.870 0.087 0.000 1.083 2198 L CA 1.654 56.517 54.840 0.039 0.000 0.752 2198 L CB -0.404 41.684 42.059 0.047 0.000 0.899 2198 L HN 0.460 nan 8.230 nan 0.000 0.433 2199 R N -0.578 119.979 120.500 0.095 0.000 2.092 2199 R HA -0.226 4.126 4.340 0.020 0.000 0.231 2199 R C 2.233 178.611 176.300 0.129 0.000 1.119 2199 R CA 1.460 57.619 56.100 0.099 0.000 0.970 2199 R CB -0.362 30.002 30.300 0.106 0.000 0.864 2199 R HN 0.377 nan 8.270 nan 0.000 0.440 2200 W N 0.307 121.620 121.300 0.022 0.000 2.358 2200 W HA -0.191 4.481 4.660 0.021 0.000 0.303 2200 W C 1.677 178.214 176.519 0.030 0.000 1.208 2200 W CA 1.426 58.803 57.345 0.054 0.000 1.274 2200 W CB -0.229 29.288 29.460 0.095 0.000 1.138 2200 W HN -0.144 nan 8.180 nan 0.000 0.515 2201 V N 0.540 120.636 119.914 0.304 0.000 2.343 2201 V HA -0.345 3.787 4.120 0.020 0.000 0.247 2201 V C 2.262 178.351 176.094 -0.009 0.000 1.051 2201 V CA 2.322 64.724 62.300 0.170 0.000 1.036 2201 V CB -1.145 30.799 31.823 0.203 0.000 0.654 2201 V HN 0.187 nan 8.190 nan 0.000 0.451 2202 Q N -0.017 119.786 119.800 0.006 0.000 2.170 2202 Q HA -0.194 4.158 4.340 0.020 0.000 0.203 2202 Q C 1.744 177.689 176.000 -0.090 0.000 0.976 2202 Q CA 1.834 57.627 55.803 -0.016 0.000 0.858 2202 Q CB -0.235 28.504 28.738 0.002 0.000 0.907 2202 Q HN 0.656 nan 8.270 nan 0.000 0.433 2203 D N -1.421 118.870 120.400 -0.182 0.000 2.301 2203 D HA 0.040 4.692 4.640 0.020 0.000 0.206 2203 D C 0.860 176.942 176.300 -0.364 0.000 0.979 2203 D CA 0.515 54.361 54.000 -0.255 0.000 0.874 2203 D CB 0.194 40.826 40.800 -0.281 0.000 0.968 2203 D HN 0.324 nan 8.370 nan 0.000 0.510 2204 N N 0.017 118.391 118.700 -0.544 0.000 2.382 2204 N HA 0.011 4.763 4.740 0.020 0.000 0.200 2204 N C 1.710 177.112 175.510 -0.179 0.000 1.122 2204 N CA -0.191 52.541 53.050 -0.530 0.000 0.870 2204 N CB 0.891 38.687 38.487 -1.153 0.000 1.176 2204 N HN -0.029 nan 8.380 nan 0.000 0.474 2205 I N 2.900 123.393 120.570 -0.129 0.000 2.290 2205 I HA -0.277 3.905 4.170 0.020 0.000 0.253 2205 I C 2.214 178.432 176.117 0.168 0.000 1.112 2205 I CA 0.865 62.229 61.300 0.108 0.000 1.377 2205 I CB -0.374 37.679 38.000 0.088 0.000 1.060 2205 I HN 0.107 nan 8.210 nan 0.000 0.428 2206 A N -1.125 121.729 122.820 0.057 0.000 2.024 2206 A HA -0.214 4.118 4.320 0.020 0.000 0.220 2206 A C 2.411 180.013 177.584 0.031 0.000 1.164 2206 A CA 2.103 54.163 52.037 0.040 0.000 0.643 2206 A CB -0.911 18.084 19.000 -0.008 0.000 0.806 2206 A HN 0.498 nan 8.150 nan 0.000 0.451 2207 S N -1.030 114.671 115.700 0.002 0.000 2.447 2207 S HA -0.004 4.478 4.470 0.020 0.000 0.233 2207 S C 0.868 175.317 174.600 -0.251 0.000 1.006 2207 S CA 0.840 58.950 58.200 -0.150 0.000 0.957 2207 S CB -0.370 62.667 63.200 -0.271 0.000 0.773 2207 S HN 0.580 nan 8.310 nan 0.000 0.507 2208 F N 0.974 120.898 119.950 -0.044 0.000 2.660 2208 F HA 0.370 4.908 4.527 0.018 0.000 0.302 2208 F C 1.692 177.526 175.800 0.055 0.000 1.103 2208 F CA -0.090 57.900 58.000 -0.017 0.000 1.340 2208 F CB -0.165 38.816 39.000 -0.031 0.000 1.048 2208 F HN 0.254 nan 8.300 nan 0.000 0.551 2209 G N 0.372 109.271 108.800 0.166 0.000 2.136 2209 G HA2 -0.157 3.815 3.960 0.020 0.000 0.242 2209 G HA3 -0.157 3.815 3.960 0.020 0.000 0.242 2209 G C 0.541 175.524 174.900 0.138 0.000 0.989 2209 G CA -0.173 45.007 45.100 0.134 0.000 0.682 2209 G HN 0.751 nan 8.290 nan 0.000 0.522 2210 G N -0.685 108.207 108.800 0.153 0.000 2.491 2210 G HA2 0.540 4.512 3.960 0.020 0.000 0.327 2210 G HA3 0.540 4.512 3.960 0.020 0.000 0.327 2210 G C -0.424 174.529 174.900 0.089 0.000 1.189 2210 G CA -0.201 44.977 45.100 0.129 0.000 0.956 2210 G HN 0.591 nan 8.290 nan 0.000 0.491 2211 N N 0.684 119.429 118.700 0.075 0.000 2.501 2211 N HA 0.346 5.098 4.740 0.020 0.000 0.245 2211 N C -1.176 174.371 175.510 0.062 0.000 0.974 2211 N CA -2.371 50.708 53.050 0.047 0.000 0.941 2211 N CB 2.221 40.721 38.487 0.021 0.000 1.122 2211 N HN 0.081 nan 8.380 nan 0.000 0.507 2212 P HA -0.036 nan 4.420 nan 0.000 0.223 2212 P C 0.897 178.282 177.300 0.143 0.000 1.144 2212 P CA 0.781 63.933 63.100 0.087 0.000 0.783 2212 P CB 0.139 31.864 31.700 0.042 0.000 0.771 2213 G N -0.885 107.939 108.800 0.040 0.000 2.920 2213 G HA2 0.003 3.975 3.960 0.020 0.000 0.208 2213 G HA3 0.003 3.975 3.960 0.020 0.000 0.208 2213 G C 0.501 175.149 174.900 -0.420 0.000 1.159 2213 G CA 0.155 45.191 45.100 -0.105 0.000 0.784 2213 G HN 0.378 nan 8.290 nan 0.000 0.535 2214 S N -0.071 115.573 115.700 -0.094 0.000 2.488 2214 S HA 0.428 4.910 4.470 0.020 0.000 0.151 2214 S C -0.926 173.799 174.600 0.209 0.000 1.401 2214 S CA -0.450 57.727 58.200 -0.038 0.000 1.221 2214 S CB 0.322 63.474 63.200 -0.081 0.000 1.407 2214 S HN -0.039 nan 8.310 nan 0.000 0.406 2215 V N 3.180 123.387 119.914 0.488 0.000 2.435 2215 V HA 0.590 4.722 4.120 0.020 0.000 0.290 2215 V C 0.225 176.463 176.094 0.240 0.000 1.030 2215 V CA -0.399 62.070 62.300 0.282 0.000 0.881 2215 V CB 1.815 33.774 31.823 0.227 0.000 0.983 2215 V HN 0.671 nan 8.190 nan 0.000 0.445 2216 T N 6.220 120.880 114.554 0.176 0.000 2.792 2216 T HA 0.603 4.965 4.350 0.020 0.000 0.280 2216 T C -0.195 174.631 174.700 0.210 0.000 0.990 2216 T CA -0.203 61.984 62.100 0.145 0.000 0.960 2216 T CB 0.945 69.829 68.868 0.027 0.000 0.939 2216 T HN 0.622 nan 8.240 nan 0.000 0.439 2217 I N 1.638 122.307 120.570 0.165 0.000 2.392 2217 I HA 0.877 5.059 4.170 0.020 0.000 0.295 2217 I C -0.983 175.317 176.117 0.304 0.000 0.985 2217 I CA -1.011 60.383 61.300 0.157 0.000 1.221 2217 I CB 1.019 38.907 38.000 -0.187 0.000 1.366 2217 I HN 0.507 nan 8.210 nan 0.000 0.467 2218 F N 2.972 122.922 119.950 -0.000 0.000 2.641 2218 F HA 0.992 5.530 4.527 0.019 0.000 0.308 2218 F C -0.473 175.200 175.800 -0.212 0.000 1.105 2218 F CA -1.305 56.718 58.000 0.038 0.000 0.964 2218 F CB 1.236 40.393 39.000 0.261 0.000 1.294 2218 F HN 0.840 nan 8.300 nan 0.000 0.442 2219 G N 1.252 109.821 108.800 -0.385 0.000 2.608 2219 G HA2 0.575 4.547 3.960 0.020 0.000 0.291 2219 G HA3 0.575 4.547 3.960 0.020 0.000 0.291 2219 G C -2.344 172.302 174.900 -0.424 0.000 1.425 2219 G CA -0.809 43.651 45.100 -1.066 0.000 0.787 2219 G HN 1.086 nan 8.290 nan 0.000 0.484 2220 E N -0.871 119.105 120.200 -0.373 0.000 2.317 2220 E HA 0.726 5.088 4.350 0.020 0.000 0.270 2220 E C 0.546 177.177 176.600 0.050 0.000 0.885 2220 E CA 0.091 56.484 56.400 -0.011 0.000 0.760 2220 E CB 1.947 31.710 29.700 0.105 0.000 1.227 2220 E HN 1.744 nan 8.360 nan 0.000 0.434 2221 S N 2.218 118.033 115.700 0.191 0.000 4.116 2221 S HA -0.401 4.081 4.470 0.020 0.000 0.623 2221 S C 1.609 176.316 174.600 0.177 0.000 1.933 2221 S CA 2.471 60.885 58.200 0.357 0.000 4.224 2221 S CB -1.844 61.666 63.200 0.517 0.000 0.208 2221 S HN 1.738 nan 8.310 nan 0.000 0.527 2222 A N 1.208 124.117 122.820 0.149 0.000 1.978 2222 A HA 0.185 4.517 4.320 0.020 0.000 0.220 2222 A C 2.630 180.184 177.584 -0.050 0.000 1.170 2222 A CA 2.459 54.522 52.037 0.044 0.000 0.636 2222 A CB -1.692 17.349 19.000 0.068 0.000 0.810 2222 A HN 1.792 nan 8.150 nan 0.000 0.448 2223 G N -0.807 107.931 108.800 -0.103 0.000 2.422 2223 G HA2 0.090 4.062 3.960 0.020 0.000 0.218 2223 G HA3 0.090 4.062 3.960 0.020 0.000 0.218 2223 G C 1.417 176.160 174.900 -0.261 0.000 1.140 2223 G CA 1.152 46.069 45.100 -0.304 0.000 0.775 2223 G HN 0.665 nan 8.290 nan 0.000 0.545 2224 G N 0.230 108.955 108.800 -0.126 0.000 2.403 2224 G HA2 -0.111 3.861 3.960 0.020 0.000 0.216 2224 G HA3 -0.111 3.861 3.960 0.020 0.000 0.216 2224 G C 1.532 176.398 174.900 -0.057 0.000 1.154 2224 G CA 1.001 46.068 45.100 -0.055 0.000 0.784 2224 G HN 0.431 nan 8.290 nan 0.000 0.538 2225 E N 0.936 121.103 120.200 -0.055 0.000 2.106 2225 E HA -0.091 4.271 4.350 0.020 0.000 0.192 2225 E C 2.519 179.033 176.600 -0.144 0.000 0.984 2225 E CA 1.080 57.429 56.400 -0.084 0.000 0.806 2225 E CB -0.193 29.462 29.700 -0.075 0.000 0.750 2225 E HN 0.317 nan 8.360 nan 0.000 0.458 2226 S N 0.198 115.809 115.700 -0.148 0.000 2.356 2226 S HA -0.133 4.349 4.470 0.020 0.000 0.223 2226 S C 2.112 176.542 174.600 -0.283 0.000 1.032 2226 S CA 1.210 59.290 58.200 -0.200 0.000 1.005 2226 S CB -0.254 62.811 63.200 -0.225 0.000 0.867 2226 S HN 0.149 nan 8.310 nan 0.000 0.449 2227 V N 1.166 120.920 119.914 -0.268 0.000 2.332 2227 V HA -0.167 3.965 4.120 0.020 0.000 0.248 2227 V C 2.575 178.465 176.094 -0.339 0.000 1.055 2227 V CA 2.033 64.143 62.300 -0.317 0.000 1.038 2227 V CB -0.779 30.917 31.823 -0.213 0.000 0.651 2227 V HN 0.551 nan 8.190 nan 0.000 0.450 2228 S N -0.763 114.809 115.700 -0.212 0.000 2.382 2228 S HA -0.157 4.326 4.470 0.020 0.000 0.228 2228 S C 1.959 176.400 174.600 -0.265 0.000 1.027 2228 S CA 1.729 59.813 58.200 -0.194 0.000 0.991 2228 S CB -0.139 63.027 63.200 -0.056 0.000 0.823 2228 S HN 0.331 nan 8.310 nan 0.000 0.469 2229 V N 1.885 121.631 119.914 -0.280 0.000 2.307 2229 V HA -0.112 4.020 4.120 0.020 0.000 0.245 2229 V C 2.350 178.289 176.094 -0.258 0.000 1.045 2229 V CA 1.766 63.882 62.300 -0.307 0.000 1.024 2229 V CB -0.604 30.930 31.823 -0.481 0.000 0.651 2229 V HN 0.478 nan 8.190 nan 0.000 0.449 2230 L N -0.531 120.523 121.223 -0.281 0.000 2.131 2230 L HA -0.144 4.208 4.340 0.020 0.000 0.210 2230 L C 2.382 179.262 176.870 0.016 0.000 1.092 2230 L CA 0.972 55.704 54.840 -0.180 0.000 0.759 2230 L CB -0.588 41.258 42.059 -0.355 0.000 0.903 2230 L HN 0.195 nan 8.230 nan 0.000 0.435 2231 V N -0.055 119.769 119.914 -0.150 0.000 2.626 2231 V HA -0.229 3.903 4.120 0.020 0.000 0.252 2231 V C 2.144 178.212 176.094 -0.044 0.000 1.067 2231 V CA 1.388 63.669 62.300 -0.033 0.000 1.081 2231 V CB -0.198 31.346 31.823 -0.465 0.000 0.686 2231 V HN 0.380 nan 8.190 nan 0.000 0.468 2232 L N -1.054 120.095 121.223 -0.123 0.000 2.298 2232 L HA 0.134 4.486 4.340 0.020 0.000 0.209 2232 L C 1.435 178.335 176.870 0.050 0.000 1.084 2232 L CA 0.337 55.111 54.840 -0.110 0.000 0.816 2232 L CB -0.102 41.835 42.059 -0.203 0.000 0.967 2232 L HN 0.242 nan 8.230 nan 0.000 0.460 2233 S N 0.976 116.704 115.700 0.047 0.000 2.548 2233 S HA 0.169 4.651 4.470 0.020 0.000 0.277 2233 S C -1.297 173.369 174.600 0.109 0.000 1.315 2233 S CA -1.347 56.885 58.200 0.054 0.000 1.050 2233 S CB 0.908 64.106 63.200 -0.003 0.000 0.918 2233 S HN -0.004 nan 8.310 nan 0.000 0.497 2234 P HA 0.002 nan 4.420 nan 0.000 0.229 2234 P C 1.438 178.734 177.300 -0.006 0.000 1.160 2234 P CA 0.570 63.687 63.100 0.028 0.000 0.777 2234 P CB 0.068 31.781 31.700 0.021 0.000 0.814 2235 L N -0.410 120.821 121.223 0.014 0.000 2.191 2235 L HA -0.067 4.285 4.340 0.020 0.000 0.212 2235 L C 2.183 179.062 176.870 0.015 0.000 1.103 2235 L CA 1.438 56.286 54.840 0.012 0.000 0.769 2235 L CB -0.677 41.396 42.059 0.023 0.000 0.908 2235 L HN -0.022 nan 8.230 nan 0.000 0.438 2236 A N -1.026 121.821 122.820 0.046 0.000 2.500 2236 A HA 0.031 4.363 4.320 0.020 0.000 0.267 2236 A C 1.894 179.423 177.584 -0.092 0.000 1.290 2236 A CA -0.164 51.931 52.037 0.096 0.000 0.928 2236 A CB -0.069 19.109 19.000 0.297 0.000 1.066 2236 A HN 0.202 nan 8.150 nan 0.000 0.516 2237 K N 0.961 121.206 120.400 -0.257 0.000 2.023 2237 K HA -0.231 4.101 4.320 0.020 0.000 0.227 2237 K C 0.302 176.456 176.600 -0.743 0.000 1.054 2237 K CA 2.230 58.141 56.287 -0.628 0.000 0.977 2237 K CB -0.175 32.117 32.500 -0.346 0.000 0.733 2237 K HN 0.473 nan 8.250 nan 0.000 0.451 2238 N N 0.589 119.049 118.700 -0.399 0.000 2.453 2238 N HA 0.105 4.857 4.740 0.020 0.000 0.270 2238 N C 0.082 175.429 175.510 -0.272 0.000 1.195 2238 N CA 0.120 52.966 53.050 -0.341 0.000 0.902 2238 N CB 0.630 39.004 38.487 -0.187 0.000 1.186 2238 N HN 0.266 nan 8.380 nan 0.000 0.510 2239 L N -0.399 120.668 121.223 -0.261 0.000 2.616 2239 L HA 0.293 4.646 4.340 0.020 0.000 0.229 2239 L C -0.249 176.620 176.870 -0.002 0.000 1.110 2239 L CA 0.182 54.984 54.840 -0.064 0.000 0.884 2239 L CB -0.015 42.093 42.059 0.080 0.000 1.115 2239 L HN 0.048 nan 8.230 nan 0.000 0.481 2240 F N -4.487 115.269 119.950 -0.323 0.000 2.686 2240 F HA 0.488 5.028 4.527 0.020 0.000 0.311 2240 F C 0.434 175.886 175.800 -0.580 0.000 1.128 2240 F CA -0.961 56.823 58.000 -0.360 0.000 0.946 2240 F CB 0.840 39.774 39.000 -0.110 0.000 1.336 2240 F HN -0.160 nan 8.300 nan 0.000 0.457 2241 H N -0.586 118.581 119.070 0.162 0.000 3.205 2241 H HA 0.384 4.951 4.556 0.020 0.000 0.252 2241 H C -0.319 175.046 175.328 0.061 0.000 1.015 2241 H CA -0.064 56.004 56.048 0.033 0.000 1.192 2241 H CB 0.721 30.474 29.762 -0.014 0.000 1.474 2241 H HN 0.358 nan 8.280 nan 0.000 0.484 2242 R N 0.842 121.470 120.500 0.215 0.000 2.698 2242 R HA 0.777 5.129 4.340 0.020 0.000 0.275 2242 R C -0.918 175.514 176.300 0.220 0.000 1.001 2242 R CA -0.845 55.298 56.100 0.072 0.000 0.896 2242 R CB 2.173 32.295 30.300 -0.297 0.000 1.218 2242 R HN 0.093 nan 8.270 nan 0.000 0.462 2243 A N 2.186 125.176 122.820 0.283 0.000 2.435 2243 A HA 0.859 5.191 4.320 0.020 0.000 0.304 2243 A C -0.888 176.944 177.584 0.414 0.000 1.064 2243 A CA -0.818 51.331 52.037 0.187 0.000 0.727 2243 A CB 1.465 20.349 19.000 -0.194 0.000 1.284 2243 A HN 0.626 nan 8.150 nan 0.000 0.415 2244 I N 1.269 122.015 120.570 0.293 0.000 2.534 2244 I HA 0.279 4.461 4.170 0.020 0.000 0.286 2244 I C -0.458 175.800 176.117 0.235 0.000 1.094 2244 I CA -0.244 61.179 61.300 0.205 0.000 1.055 2244 I CB 2.354 40.402 38.000 0.080 0.000 1.225 2244 I HN 0.482 nan 8.210 nan 0.000 0.435 2245 S N 5.161 120.965 115.700 0.173 0.000 2.498 2245 S HA 0.346 4.828 4.470 0.020 0.000 0.324 2245 S C -0.445 174.214 174.600 0.099 0.000 1.071 2245 S CA -0.617 57.655 58.200 0.120 0.000 1.113 2245 S CB 0.837 64.101 63.200 0.107 0.000 0.976 2245 S HN 0.477 nan 8.310 nan 0.000 0.462 2246 E N 1.793 122.101 120.200 0.180 0.000 2.115 2246 E HA 0.324 4.686 4.350 0.020 0.000 0.282 2246 E C -0.286 176.405 176.600 0.151 0.000 0.987 2246 E CA -0.507 56.035 56.400 0.238 0.000 0.797 2246 E CB 0.905 30.830 29.700 0.375 0.000 1.086 2246 E HN 0.617 nan 8.360 nan 0.000 0.397 2247 S N 2.002 117.775 115.700 0.123 0.000 3.628 2247 S HA -0.154 4.328 4.470 0.020 0.000 0.373 2247 S C 0.054 174.924 174.600 0.450 0.000 0.968 2247 S CA 0.543 58.860 58.200 0.195 0.000 1.215 2247 S CB -1.140 62.065 63.200 0.008 0.000 0.912 2247 S HN 0.922 nan 8.310 nan 0.000 0.495 2248 G N -0.933 108.055 108.800 0.313 0.000 2.318 2248 G HA2 0.520 4.492 3.960 0.020 0.000 0.306 2248 G HA3 0.520 4.492 3.960 0.020 0.000 0.306 2248 G C -0.892 174.043 174.900 0.058 0.000 1.696 2248 G CA 0.063 45.294 45.100 0.217 0.000 0.905 2248 G HN 1.452 nan 8.290 nan 0.000 0.700 2249 V N -0.778 119.126 119.914 -0.016 0.000 3.202 2249 V HA 0.912 5.044 4.120 0.020 0.000 0.306 2249 V C 1.348 177.386 176.094 -0.093 0.000 1.283 2249 V CA -0.049 62.224 62.300 -0.045 0.000 1.065 2249 V CB 1.085 32.875 31.823 -0.054 0.000 1.079 2249 V HN 2.126 nan 8.190 nan 0.000 0.448 2250 A N -0.163 122.595 122.820 -0.104 0.000 2.131 2250 A HA 0.056 4.388 4.320 0.020 0.000 0.220 2250 A C 1.584 179.085 177.584 -0.139 0.000 1.158 2250 A CA 1.868 53.824 52.037 -0.136 0.000 0.665 2250 A CB -0.716 18.193 19.000 -0.151 0.000 0.795 2250 A HN 0.839 nan 8.150 nan 0.000 0.460 2251 L N 0.446 121.590 121.223 -0.133 0.000 2.592 2251 L HA 0.031 4.383 4.340 0.020 0.000 0.227 2251 L C 0.756 177.511 176.870 -0.191 0.000 1.127 2251 L CA 0.485 55.236 54.840 -0.148 0.000 0.884 2251 L CB -0.376 41.610 42.059 -0.121 0.000 1.065 2251 L HN 0.453 nan 8.230 nan 0.000 0.457 2252 T N -2.605 111.823 114.554 -0.209 0.000 2.978 2252 T HA 0.065 4.427 4.350 0.020 0.000 0.278 2252 T C 1.464 176.007 174.700 -0.261 0.000 0.945 2252 T CA 0.109 62.035 62.100 -0.289 0.000 1.070 2252 T CB 0.627 69.290 68.868 -0.341 0.000 0.948 2252 T HN 0.324 nan 8.240 nan 0.000 0.617 2253 S N 2.723 118.262 115.700 -0.268 0.000 2.409 2253 S HA -0.221 4.261 4.470 0.020 0.000 0.237 2253 S C 1.890 176.356 174.600 -0.224 0.000 1.060 2253 S CA 1.316 59.366 58.200 -0.250 0.000 1.052 2253 S CB -1.026 61.997 63.200 -0.296 0.000 0.871 2253 S HN 0.590 nan 8.310 nan 0.000 0.465 2254 V N 0.980 120.755 119.914 -0.232 0.000 2.867 2254 V HA 0.050 4.182 4.120 0.020 0.000 0.260 2254 V C 1.863 177.861 176.094 -0.160 0.000 1.099 2254 V CA 1.610 63.800 62.300 -0.183 0.000 1.122 2254 V CB -0.503 31.222 31.823 -0.164 0.000 0.708 2254 V HN 0.640 nan 8.190 nan 0.000 0.490 2255 L N -0.829 120.291 121.223 -0.171 0.000 2.590 2255 L HA 0.238 4.590 4.340 0.020 0.000 0.227 2255 L C 0.317 177.087 176.870 -0.167 0.000 1.099 2255 L CA -0.008 54.729 54.840 -0.172 0.000 0.872 2255 L CB 0.696 42.662 42.059 -0.156 0.000 1.088 2255 L HN 0.059 nan 8.230 nan 0.000 0.479 2256 V N 1.361 121.184 119.914 -0.153 0.000 2.384 2256 V HA 0.281 4.413 4.120 0.020 0.000 0.287 2256 V C -0.146 175.874 176.094 -0.122 0.000 1.020 2256 V CA -0.890 61.331 62.300 -0.131 0.000 0.850 2256 V CB 1.611 33.355 31.823 -0.133 0.000 0.987 2256 V HN 0.034 nan 8.190 nan 0.000 0.436 2257 K N 4.924 125.262 120.400 -0.103 0.000 2.248 2257 K HA 0.499 4.831 4.320 0.020 0.000 0.281 2257 K C -0.525 176.028 176.600 -0.079 0.000 1.054 2257 K CA -0.309 55.925 56.287 -0.087 0.000 0.903 2257 K CB 1.366 33.819 32.500 -0.078 0.000 1.077 2257 K HN 0.583 nan 8.250 nan 0.000 0.474 2258 K N 1.179 121.534 120.400 -0.074 0.000 2.345 2258 K HA 0.640 4.972 4.320 0.020 0.000 0.255 2258 K C 0.165 176.737 176.600 -0.047 0.000 0.934 2258 K CA -0.726 55.523 56.287 -0.064 0.000 0.801 2258 K CB 1.930 34.385 32.500 -0.074 0.000 1.137 2258 K HN 0.801 nan 8.250 nan 0.000 0.424 2259 G N 1.978 110.754 108.800 -0.041 0.000 2.396 2259 G HA2 -0.200 3.772 3.960 0.020 0.000 0.254 2259 G HA3 -0.200 3.772 3.960 0.020 0.000 0.254 2259 G C -1.506 173.375 174.900 -0.031 0.000 1.248 2259 G CA -0.857 44.225 45.100 -0.029 0.000 1.033 2259 G HN 0.618 nan 8.290 nan 0.000 0.502 2260 D N 0.691 121.077 120.400 -0.023 0.000 2.358 2260 D HA 0.337 4.989 4.640 0.020 0.000 0.258 2260 D C 1.803 178.083 176.300 -0.033 0.000 1.223 2260 D CA 0.583 54.567 54.000 -0.026 0.000 0.886 2260 D CB 1.274 42.065 40.800 -0.016 0.000 1.120 2260 D HN 1.204 nan 8.370 nan 0.000 0.482 2261 V N 2.290 122.174 119.914 -0.051 0.000 3.506 2261 V HA 0.098 4.230 4.120 0.020 0.000 0.263 2261 V C 2.051 178.099 176.094 -0.077 0.000 1.203 2261 V CA 0.294 62.552 62.300 -0.069 0.000 1.133 2261 V CB -0.148 31.615 31.823 -0.101 0.000 0.802 2261 V HN 0.232 nan 8.190 nan 0.000 0.459 2262 K N 1.972 122.337 120.400 -0.058 0.000 2.044 2262 K HA -0.066 4.266 4.320 0.020 0.000 0.210 2262 K C -0.139 176.446 176.600 -0.026 0.000 1.049 2262 K CA 2.409 58.669 56.287 -0.046 0.000 0.927 2262 K CB -1.658 30.829 32.500 -0.022 0.000 0.713 2262 K HN 0.450 nan 8.250 nan 0.000 0.443 2263 P HA -0.187 nan 4.420 nan 0.000 0.215 2263 P C 1.411 178.718 177.300 0.012 0.000 1.157 2263 P CA 1.113 64.214 63.100 0.002 0.000 0.874 2263 P CB 0.016 31.717 31.700 0.002 0.000 0.790 2264 L N -1.006 120.220 121.223 0.005 0.000 2.017 2264 L HA -0.201 4.151 4.340 0.020 0.000 0.208 2264 L C 2.240 179.140 176.870 0.049 0.000 1.073 2264 L CA 1.893 56.752 54.840 0.033 0.000 0.745 2264 L CB -0.930 41.142 42.059 0.021 0.000 0.894 2264 L HN -0.047 nan 8.230 nan 0.000 0.432 2265 A N -0.275 122.530 122.820 -0.025 0.000 1.917 2265 A HA -0.287 4.045 4.320 0.020 0.000 0.219 2265 A C 2.007 179.686 177.584 0.159 0.000 1.182 2265 A CA 2.073 54.108 52.037 -0.002 0.000 0.633 2265 A CB -0.596 18.261 19.000 -0.239 0.000 0.819 2265 A HN 0.588 nan 8.150 nan 0.000 0.448 2266 E N -1.054 119.195 120.200 0.081 0.000 2.150 2266 E HA -0.207 4.155 4.350 0.020 0.000 0.193 2266 E C 2.228 178.872 176.600 0.072 0.000 0.985 2266 E CA 1.066 57.512 56.400 0.077 0.000 0.814 2266 E CB -0.109 29.617 29.700 0.043 0.000 0.752 2266 E HN 0.778 nan 8.360 nan 0.000 0.466 2267 Q N 0.406 120.249 119.800 0.072 0.000 2.123 2267 Q HA -0.124 4.228 4.340 0.020 0.000 0.199 2267 Q C 2.135 178.179 176.000 0.074 0.000 0.966 2267 Q CA 0.874 56.712 55.803 0.058 0.000 0.845 2267 Q CB 0.143 28.913 28.738 0.053 0.000 0.907 2267 Q HN 0.313 nan 8.270 nan 0.000 0.439 2268 I N 0.184 120.833 120.570 0.132 0.000 2.202 2268 I HA -0.240 3.942 4.170 0.020 0.000 0.242 2268 I C 2.435 178.593 176.117 0.069 0.000 1.091 2268 I CA 0.870 62.254 61.300 0.140 0.000 1.368 2268 I CB -0.509 37.654 38.000 0.271 0.000 1.058 2268 I HN 0.206 nan 8.210 nan 0.000 0.410 2269 A N 1.447 124.319 122.820 0.087 0.000 1.873 2269 A HA -0.223 4.109 4.320 0.020 0.000 0.218 2269 A C 2.293 179.881 177.584 0.007 0.000 1.193 2269 A CA 1.790 53.838 52.037 0.018 0.000 0.629 2269 A CB -0.971 18.061 19.000 0.055 0.000 0.826 2269 A HN 0.391 nan 8.150 nan 0.000 0.447 2270 I N -0.536 120.047 120.570 0.022 0.000 2.226 2270 I HA -0.226 3.956 4.170 0.020 0.000 0.245 2270 I C 2.489 178.606 176.117 0.001 0.000 1.100 2270 I CA 1.769 63.075 61.300 0.010 0.000 1.374 2270 I CB -0.680 37.328 38.000 0.014 0.000 1.057 2270 I HN 0.257 nan 8.210 nan 0.000 0.413 2271 T N 0.624 115.179 114.554 0.003 0.000 2.881 2271 T HA -0.102 4.260 4.350 0.020 0.000 0.270 2271 T C 1.735 176.427 174.700 -0.014 0.000 1.068 2271 T CA 1.362 63.457 62.100 -0.008 0.000 1.131 2271 T CB -0.181 68.681 68.868 -0.011 0.000 0.871 2271 T HN 0.489 nan 8.240 nan 0.000 0.479 2272 A N 0.366 123.175 122.820 -0.019 0.000 2.275 2272 A HA 0.549 4.881 4.320 0.020 0.000 0.212 2272 A C 1.495 179.062 177.584 -0.028 0.000 1.201 2272 A CA 0.469 52.487 52.037 -0.032 0.000 0.843 2272 A CB -0.449 18.515 19.000 -0.061 0.000 0.873 2272 A HN 0.718 nan 8.150 nan 0.000 0.492 2273 G N -1.182 107.606 108.800 -0.019 0.000 2.470 2273 G HA2 -0.147 3.825 3.960 0.020 0.000 0.286 2273 G HA3 -0.147 3.825 3.960 0.020 0.000 0.286 2273 G C -0.309 174.581 174.900 -0.018 0.000 1.115 2273 G CA -0.061 45.030 45.100 -0.015 0.000 1.122 2273 G HN 0.716 nan 8.290 nan 0.000 0.522 2274 c N 1.014 119.605 118.600 -0.015 0.000 2.535 2274 c HA 0.569 5.151 4.570 0.020 0.000 0.319 2274 c C 0.778 174.869 174.090 0.001 0.000 1.171 2274 c CA -1.277 55.045 56.329 -0.013 0.000 1.394 2274 c CB 1.614 44.107 42.510 -0.030 0.000 1.990 2274 c HN 0.701 nan 8.230 nan 0.000 0.466 2275 K N 0.846 121.249 120.400 0.006 0.000 2.286 2275 K HA 0.247 4.579 4.320 0.020 0.000 0.256 2275 K C 0.923 177.532 176.600 0.016 0.000 0.999 2275 K CA 0.413 56.706 56.287 0.010 0.000 0.908 2275 K CB 0.369 32.876 32.500 0.011 0.000 0.981 2275 K HN 0.866 nan 8.250 nan 0.000 0.500 2276 T N -2.919 111.645 114.554 0.017 0.000 3.252 2276 T HA 0.060 4.422 4.350 0.020 0.000 0.286 2276 T C 1.138 175.847 174.700 0.016 0.000 1.013 2276 T CA -0.391 61.722 62.100 0.023 0.000 0.914 2276 T CB 0.110 68.994 68.868 0.026 0.000 1.131 2276 T HN 0.452 nan 8.240 nan 0.000 0.529 2277 T N 2.975 117.534 114.554 0.009 0.000 2.649 2277 T HA -0.102 4.260 4.350 0.020 0.000 0.268 2277 T C 1.192 175.892 174.700 -0.001 0.000 1.036 2277 T CA 2.196 64.297 62.100 0.002 0.000 1.157 2277 T CB -0.539 68.327 68.868 -0.003 0.000 0.861 2277 T HN 0.890 nan 8.240 nan 0.000 0.445 2278 T N -2.774 111.776 114.554 -0.007 0.000 2.762 2278 T HA 0.496 4.858 4.350 0.020 0.000 0.301 2278 T C 0.923 175.614 174.700 -0.015 0.000 1.299 2278 T CA -0.295 61.795 62.100 -0.017 0.000 1.005 2278 T CB 1.606 70.444 68.868 -0.051 0.000 1.377 2278 T HN -0.158 nan 8.240 nan 0.000 0.504 2279 S N 0.267 115.957 115.700 -0.017 0.000 2.356 2279 S HA 0.004 4.486 4.470 0.020 0.000 0.223 2279 S C 2.473 177.045 174.600 -0.046 0.000 1.032 2279 S CA 1.337 59.549 58.200 0.021 0.000 1.005 2279 S CB -0.973 62.295 63.200 0.114 0.000 0.867 2279 S HN 0.939 nan 8.310 nan 0.000 0.449 2280 A N 1.183 123.832 122.820 -0.285 0.000 1.902 2280 A HA -0.061 4.271 4.320 0.020 0.000 0.217 2280 A C 2.323 179.864 177.584 -0.072 0.000 1.181 2280 A CA 1.583 53.432 52.037 -0.313 0.000 0.623 2280 A CB -0.880 17.804 19.000 -0.527 0.000 0.818 2280 A HN 0.354 nan 8.150 nan 0.000 0.443 2281 V N -0.187 119.694 119.914 -0.054 0.000 2.358 2281 V HA -0.317 3.815 4.120 0.020 0.000 0.246 2281 V C 2.608 178.736 176.094 0.058 0.000 1.047 2281 V CA 2.153 64.463 62.300 0.017 0.000 1.035 2281 V CB -0.801 31.022 31.823 -0.000 0.000 0.658 2281 V HN 0.559 nan 8.190 nan 0.000 0.452 2282 M N -0.220 119.405 119.600 0.040 0.000 2.065 2282 M HA -0.187 4.305 4.480 0.020 0.000 0.259 2282 M C 2.261 178.559 176.300 -0.003 0.000 1.071 2282 M CA 1.933 57.255 55.300 0.038 0.000 1.109 2282 M CB -0.584 32.080 32.600 0.106 0.000 1.313 2282 M HN 0.261 nan 8.290 nan 0.000 0.408 2283 V N -0.630 119.314 119.914 0.049 0.000 2.392 2283 V HA -0.304 3.828 4.120 0.020 0.000 0.249 2283 V C 2.230 178.373 176.094 0.081 0.000 1.059 2283 V CA 2.393 64.711 62.300 0.030 0.000 1.051 2283 V CB -1.190 30.724 31.823 0.151 0.000 0.658 2283 V HN 0.499 nan 8.190 nan 0.000 0.455 2284 H N -0.594 118.483 119.070 0.011 0.000 2.321 2284 H HA -0.204 4.365 4.556 0.020 0.000 0.300 2284 H C 2.376 177.701 175.328 -0.005 0.000 1.087 2284 H CA 2.276 58.329 56.048 0.009 0.000 1.319 2284 H CB -0.633 29.125 29.762 -0.007 0.000 1.379 2284 H HN 0.447 nan 8.280 nan 0.000 0.501 2285 c N 0.004 118.578 118.600 -0.043 0.000 2.432 2285 c HA -0.074 4.508 4.570 0.020 0.000 0.277 2285 c C 2.772 176.786 174.090 -0.127 0.000 1.249 2285 c CA 1.017 57.285 56.329 -0.100 0.000 1.725 2285 c CB -1.421 41.072 42.510 -0.027 0.000 2.028 2285 c HN 0.652 nan 8.230 nan 0.000 0.477 2286 L N 0.072 121.228 121.223 -0.113 0.000 2.141 2286 L HA -0.037 4.315 4.340 0.020 0.000 0.209 2286 L C 2.749 179.606 176.870 -0.020 0.000 1.094 2286 L CA 1.141 55.919 54.840 -0.102 0.000 0.763 2286 L CB -0.701 41.206 42.059 -0.254 0.000 0.908 2286 L HN 0.314 nan 8.230 nan 0.000 0.437 2287 R N -0.065 120.426 120.500 -0.015 0.000 2.339 2287 R HA -0.082 4.270 4.340 0.020 0.000 0.199 2287 R C 1.305 177.508 176.300 -0.162 0.000 1.018 2287 R CA 0.531 56.579 56.100 -0.087 0.000 1.036 2287 R CB 0.062 30.333 30.300 -0.048 0.000 0.899 2287 R HN 0.542 nan 8.270 nan 0.000 0.473 2288 Q N -0.741 118.957 119.800 -0.171 0.000 2.185 2288 Q HA 0.119 4.471 4.340 0.020 0.000 0.234 2288 Q C -0.226 175.713 176.000 -0.102 0.000 0.819 2288 Q CA -0.171 55.539 55.803 -0.156 0.000 0.961 2288 Q CB 0.928 29.542 28.738 -0.206 0.000 1.140 2288 Q HN -0.065 nan 8.270 nan 0.000 0.492 2289 K N 2.299 122.643 120.400 -0.094 0.000 2.295 2289 K HA 0.101 4.433 4.320 0.020 0.000 0.270 2289 K C 0.426 177.006 176.600 -0.034 0.000 1.011 2289 K CA 0.178 56.427 56.287 -0.062 0.000 0.953 2289 K CB 0.745 33.201 32.500 -0.072 0.000 0.956 2289 K HN 0.141 nan 8.250 nan 0.000 0.477 2290 T N -2.199 112.352 114.554 -0.005 0.000 2.868 2290 T HA 0.051 4.413 4.350 0.020 0.000 0.292 2290 T C 1.342 176.096 174.700 0.090 0.000 1.028 2290 T CA -0.556 61.559 62.100 0.026 0.000 1.059 2290 T CB 1.186 70.066 68.868 0.019 0.000 0.991 2290 T HN 0.632 nan 8.240 nan 0.000 0.531 2291 E N 0.365 120.642 120.200 0.129 0.000 2.065 2291 E HA -0.321 4.041 4.350 0.020 0.000 0.201 2291 E C 1.842 178.591 176.600 0.248 0.000 1.016 2291 E CA 1.987 58.538 56.400 0.252 0.000 0.818 2291 E CB -0.187 29.576 29.700 0.104 0.000 0.749 2291 E HN 0.830 nan 8.360 nan 0.000 0.453 2292 E N 0.827 121.103 120.200 0.126 0.000 2.070 2292 E HA -0.228 4.134 4.350 0.020 0.000 0.197 2292 E C 1.796 178.459 176.600 0.105 0.000 1.004 2292 E CA 2.098 58.559 56.400 0.103 0.000 0.805 2292 E CB -0.154 29.578 29.700 0.053 0.000 0.744 2292 E HN 0.431 nan 8.360 nan 0.000 0.451 2293 E N -0.056 120.189 120.200 0.075 0.000 2.077 2293 E HA -0.162 4.200 4.350 0.020 0.000 0.193 2293 E C 2.305 178.933 176.600 0.046 0.000 0.989 2293 E CA 1.180 57.606 56.400 0.044 0.000 0.800 2293 E CB -0.235 29.472 29.700 0.012 0.000 0.746 2293 E HN 0.322 nan 8.360 nan 0.000 0.452 2294 L N 0.645 121.904 121.223 0.060 0.000 2.201 2294 L HA -0.134 4.218 4.340 0.020 0.000 0.212 2294 L C 2.466 179.398 176.870 0.103 0.000 1.105 2294 L CA 0.166 54.980 54.840 -0.042 0.000 0.775 2294 L CB -0.214 41.669 42.059 -0.294 0.000 0.913 2294 L HN 0.179 nan 8.230 nan 0.000 0.440 2295 L N -0.024 121.389 121.223 0.317 0.000 2.093 2295 L HA -0.156 4.196 4.340 0.020 0.000 0.208 2295 L C 2.299 179.282 176.870 0.188 0.000 1.085 2295 L CA 1.728 56.784 54.840 0.360 0.000 0.755 2295 L CB -0.483 41.744 42.059 0.280 0.000 0.904 2295 L HN 0.188 nan 8.230 nan 0.000 0.435 2296 E N -1.051 119.220 120.200 0.118 0.000 2.077 2296 E HA -0.191 4.171 4.350 0.020 0.000 0.193 2296 E C 1.901 178.531 176.600 0.049 0.000 0.989 2296 E CA 1.776 58.217 56.400 0.068 0.000 0.800 2296 E CB -0.179 29.546 29.700 0.043 0.000 0.746 2296 E HN 0.531 nan 8.360 nan 0.000 0.452 2297 T N 0.513 115.092 114.554 0.041 0.000 2.720 2297 T HA -0.154 4.208 4.350 0.020 0.000 0.268 2297 T C 1.995 176.721 174.700 0.044 0.000 1.037 2297 T CA 1.681 63.792 62.100 0.019 0.000 1.144 2297 T CB -0.441 68.425 68.868 -0.004 0.000 0.864 2297 T HN 0.182 nan 8.240 nan 0.000 0.444 2298 T N 2.400 117.027 114.554 0.122 0.000 2.622 2298 T HA -0.058 4.304 4.350 0.020 0.000 0.266 2298 T C 1.873 176.645 174.700 0.119 0.000 1.047 2298 T CA 0.899 63.143 62.100 0.240 0.000 1.159 2298 T CB -0.505 68.576 68.868 0.355 0.000 0.863 2298 T HN 0.069 nan 8.240 nan 0.000 0.422 2299 L N 1.058 122.341 121.223 0.100 0.000 2.127 2299 L HA -0.050 4.302 4.340 0.020 0.000 0.211 2299 L C 2.321 179.172 176.870 -0.031 0.000 1.089 2299 L CA 1.650 56.518 54.840 0.046 0.000 0.757 2299 L CB -0.645 41.446 42.059 0.053 0.000 0.899 2299 L HN 0.230 nan 8.230 nan 0.000 0.434 2300 K N -1.575 118.796 120.400 -0.047 0.000 2.103 2300 K HA -0.087 4.245 4.320 0.020 0.000 0.204 2300 K C 1.932 178.428 176.600 -0.172 0.000 1.052 2300 K CA 0.903 57.141 56.287 -0.082 0.000 0.945 2300 K CB -0.147 32.318 32.500 -0.058 0.000 0.722 2300 K HN 0.185 nan 8.250 nan 0.000 0.443 2301 M N 1.108 120.530 119.600 -0.296 0.000 2.446 2301 M HA -0.093 4.399 4.480 0.020 0.000 0.263 2301 M C 0.023 175.939 176.300 -0.639 0.000 1.066 2301 M CA 1.185 56.126 55.300 -0.600 0.000 1.087 2301 M CB -0.759 31.117 32.600 -1.206 0.000 1.406 2301 M HN 0.098 nan 8.290 nan 0.000 0.459 2302 K N 0.499 120.662 120.400 -0.395 0.000 3.419 2302 K HA -0.179 4.153 4.320 0.020 0.000 0.272 2302 K C -0.645 175.854 176.600 -0.168 0.000 0.973 2302 K CA 0.199 56.362 56.287 -0.206 0.000 0.749 2302 K CB -2.148 30.270 32.500 -0.136 0.000 1.403 2302 K HN 0.212 nan 8.250 nan 0.000 0.456 2303 F N 0.234 120.209 119.950 0.042 0.000 2.406 2303 F HA 0.124 4.663 4.527 0.020 0.000 0.327 2303 F C 1.771 177.595 175.800 0.040 0.000 1.153 2303 F CA -0.768 57.259 58.000 0.044 0.000 1.218 2303 F CB 0.427 39.466 39.000 0.065 0.000 1.215 2303 F HN 0.099 nan 8.300 nan 0.000 0.570 2304 L N 0.890 122.275 121.223 0.269 0.000 4.232 2304 L HA -0.267 4.085 4.340 0.020 0.000 0.415 2304 L C -0.184 176.754 176.870 0.113 0.000 1.168 2304 L CA 0.827 55.759 54.840 0.153 0.000 0.966 2304 L CB -2.010 40.127 42.059 0.129 0.000 2.052 2304 L HN 0.539 nan 8.230 nan 0.000 0.887 2305 S N -0.636 115.128 115.700 0.106 0.000 2.557 2305 S HA 0.666 5.148 4.470 0.020 0.000 0.291 2305 S C -0.598 174.032 174.600 0.050 0.000 1.116 2305 S CA -0.855 57.385 58.200 0.066 0.000 0.992 2305 S CB 1.324 64.544 63.200 0.034 0.000 1.028 2305 S HN 0.215 nan 8.310 nan 0.000 0.484 2306 L N 4.489 125.735 121.223 0.038 0.000 2.477 2306 L HA 0.393 4.745 4.340 0.020 0.000 0.272 2306 L C -0.187 176.648 176.870 -0.058 0.000 1.157 2306 L CA 0.405 55.229 54.840 -0.027 0.000 0.889 2306 L CB 0.350 42.305 42.059 -0.173 0.000 1.158 2306 L HN 0.633 nan 8.230 nan 0.000 0.473 2307 D N 4.289 124.657 120.400 -0.052 0.000 2.325 2307 D HA 0.136 4.788 4.640 0.020 0.000 0.251 2307 D C 0.825 177.082 176.300 -0.073 0.000 1.196 2307 D CA 0.070 54.036 54.000 -0.057 0.000 0.866 2307 D CB 0.826 41.596 40.800 -0.051 0.000 1.101 2307 D HN 0.607 nan 8.370 nan 0.000 0.476 2308 L N 2.176 123.361 121.223 -0.063 0.000 2.145 2308 L HA 0.043 4.395 4.340 0.020 0.000 0.201 2308 L C 0.644 177.493 176.870 -0.034 0.000 1.075 2308 L CA 0.424 55.231 54.840 -0.055 0.000 0.773 2308 L CB -0.137 41.893 42.059 -0.048 0.000 0.936 2308 L HN 0.274 nan 8.230 nan 0.000 0.451 2309 Q N 0.563 120.346 119.800 -0.029 0.000 2.322 2309 Q HA 0.582 4.934 4.340 0.020 0.000 0.256 2309 Q C -0.025 175.961 176.000 -0.024 0.000 0.960 2309 Q CA 0.348 56.141 55.803 -0.018 0.000 0.934 2309 Q CB 1.345 30.075 28.738 -0.014 0.000 1.200 2309 Q HN 0.294 nan 8.270 nan 0.000 0.435 2310 G N 1.734 110.524 108.800 -0.017 0.000 2.362 2310 G HA2 -0.087 3.885 3.960 0.020 0.000 0.656 2310 G HA3 -0.087 3.885 3.960 0.020 0.000 0.656 2310 G C -1.650 173.228 174.900 -0.037 0.000 1.376 2310 G CA -1.099 43.987 45.100 -0.023 0.000 0.971 2310 G HN 0.588 nan 8.290 nan 0.000 0.636 2311 D N 1.133 121.511 120.400 -0.037 0.000 2.382 2311 D HA 0.254 4.906 4.640 0.020 0.000 0.259 2311 D C -0.854 175.337 176.300 -0.181 0.000 1.224 2311 D CA -1.188 52.774 54.000 -0.063 0.000 0.894 2311 D CB 1.490 42.275 40.800 -0.025 0.000 1.127 2311 D HN -0.009 nan 8.370 nan 0.000 0.487 2312 P HA -0.118 nan 4.420 nan 0.000 0.217 2312 P C 0.946 178.011 177.300 -0.391 0.000 1.148 2312 P CA 1.111 63.901 63.100 -0.517 0.000 0.828 2312 P CB 0.195 31.201 31.700 -1.156 0.000 0.783 2313 R N -0.887 119.314 120.500 -0.499 0.000 2.339 2313 R HA -0.027 4.325 4.340 0.020 0.000 0.199 2313 R C 1.553 177.794 176.300 -0.098 0.000 1.018 2313 R CA 0.675 56.567 56.100 -0.348 0.000 1.036 2313 R CB -0.146 29.926 30.300 -0.380 0.000 0.899 2313 R HN 0.265 nan 8.270 nan 0.000 0.473 2314 E N 0.157 120.303 120.200 -0.090 0.000 2.256 2314 E HA 0.018 4.380 4.350 0.020 0.000 0.198 2314 E C 0.443 177.033 176.600 -0.016 0.000 0.908 2314 E CA 0.387 56.765 56.400 -0.037 0.000 0.915 2314 E CB -0.035 29.642 29.700 -0.038 0.000 0.890 2314 E HN 0.145 nan 8.360 nan 0.000 0.484 2315 S N 1.629 117.309 115.700 -0.034 0.000 2.573 2315 S HA -0.017 4.465 4.470 0.020 0.000 0.297 2315 S C 0.260 174.876 174.600 0.026 0.000 1.280 2315 S CA -0.048 58.143 58.200 -0.015 0.000 1.061 2315 S CB 0.634 63.812 63.200 -0.037 0.000 0.812 2315 S HN -0.023 nan 8.310 nan 0.000 0.500 2316 Q N 2.982 122.819 119.800 0.061 0.000 2.413 2316 Q HA 0.384 4.736 4.340 0.020 0.000 0.258 2316 Q C -1.541 174.589 176.000 0.217 0.000 1.037 2316 Q CA -2.240 53.640 55.803 0.129 0.000 0.764 2316 Q CB 1.664 30.514 28.738 0.186 0.000 1.217 2316 Q HN 0.562 nan 8.270 nan 0.000 0.490 2317 P HA -0.086 nan 4.420 nan 0.000 0.220 2317 P C -0.519 176.933 177.300 0.254 0.000 1.148 2317 P CA 0.794 64.003 63.100 0.182 0.000 0.803 2317 P CB 0.324 32.076 31.700 0.087 0.000 0.782 2318 L N -5.063 116.236 121.223 0.127 0.000 2.921 2318 L HA 0.391 4.743 4.340 0.020 0.000 0.261 2318 L C -1.014 175.696 176.870 -0.268 0.000 0.984 2318 L CA -1.268 53.463 54.840 -0.182 0.000 0.951 2318 L CB 0.121 42.092 42.059 -0.147 0.000 1.495 2318 L HN -0.332 nan 8.230 nan 0.000 0.414 2319 L N 0.711 121.654 121.223 -0.466 0.000 2.399 2319 L HA 0.988 5.340 4.340 0.020 0.000 0.266 2319 L C 0.855 177.538 176.870 -0.312 0.000 1.114 2319 L CA 0.287 54.972 54.840 -0.259 0.000 0.804 2319 L CB 0.997 42.958 42.059 -0.163 0.000 1.146 2319 L HN 1.069 nan 8.230 nan 0.000 0.451 2320 G N -0.093 108.543 108.800 -0.274 0.000 2.578 2320 G HA2 0.285 4.257 3.960 0.020 0.000 0.302 2320 G HA3 0.285 4.257 3.960 0.020 0.000 0.302 2320 G C -1.127 173.623 174.900 -0.250 0.000 1.243 2320 G CA -0.521 44.261 45.100 -0.529 0.000 0.843 2320 G HN 0.382 nan 8.290 nan 0.000 0.486 2321 T N 0.676 115.122 114.554 -0.181 0.000 2.934 2321 T HA 0.430 4.792 4.350 0.020 0.000 0.306 2321 T C 0.560 175.253 174.700 -0.011 0.000 1.042 2321 T CA 0.703 62.840 62.100 0.063 0.000 1.145 2321 T CB 0.710 69.618 68.868 0.068 0.000 0.982 2321 T HN 1.451 nan 8.240 nan 0.000 0.544 2322 V N 0.250 120.164 119.914 0.001 0.000 3.141 2322 V HA 0.623 4.755 4.120 0.020 0.000 0.312 2322 V C -0.638 175.419 176.094 -0.062 0.000 1.157 2322 V CA -1.361 60.908 62.300 -0.052 0.000 1.041 2322 V CB 1.899 33.678 31.823 -0.074 0.000 1.071 2322 V HN 0.599 nan 8.190 nan 0.000 0.441 2323 I N 3.374 123.902 120.570 -0.069 0.000 2.256 2323 I HA 0.275 4.457 4.170 0.020 0.000 0.294 2323 I C 0.772 176.846 176.117 -0.072 0.000 1.127 2323 I CA 0.028 61.287 61.300 -0.067 0.000 1.247 2323 I CB -0.043 37.922 38.000 -0.059 0.000 1.460 2323 I HN 0.968 nan 8.210 nan 0.000 0.511 2324 D N 3.548 123.897 120.400 -0.085 0.000 2.323 2324 D HA -0.012 4.640 4.640 0.020 0.000 0.209 2324 D C 1.447 177.704 176.300 -0.071 0.000 0.973 2324 D CA 0.973 54.914 54.000 -0.099 0.000 0.874 2324 D CB 0.318 41.026 40.800 -0.154 0.000 0.930 2324 D HN 0.667 nan 8.370 nan 0.000 0.521 2325 G N -0.332 108.435 108.800 -0.055 0.000 2.176 2325 G HA2 -0.273 3.699 3.960 0.020 0.000 0.253 2325 G HA3 -0.273 3.699 3.960 0.020 0.000 0.253 2325 G C 0.830 175.712 174.900 -0.031 0.000 0.979 2325 G CA 0.678 45.755 45.100 -0.038 0.000 0.641 2325 G HN 0.257 nan 8.290 nan 0.000 0.530 2326 M N -1.595 117.981 119.600 -0.039 0.000 3.046 2326 M HA 0.438 4.930 4.480 0.020 0.000 0.215 2326 M C 2.181 178.466 176.300 -0.024 0.000 1.815 2326 M CA 0.852 56.138 55.300 -0.025 0.000 1.316 2326 M CB -1.299 31.286 32.600 -0.025 0.000 1.187 2326 M HN 0.209 nan 8.290 nan 0.000 0.595 2327 L N 1.197 122.396 121.223 -0.040 0.000 1.973 2327 L HA 0.115 4.467 4.340 0.020 0.000 0.208 2327 L C 0.434 177.277 176.870 -0.045 0.000 1.073 2327 L CA 1.645 56.462 54.840 -0.038 0.000 0.746 2327 L CB -0.115 41.914 42.059 -0.049 0.000 0.891 2327 L HN 0.154 nan 8.230 nan 0.000 0.433 2328 L N 0.260 121.448 121.223 -0.058 0.000 2.305 2328 L HA 0.218 4.570 4.340 0.020 0.000 0.284 2328 L C 0.662 177.506 176.870 -0.043 0.000 1.013 2328 L CA -0.356 54.450 54.840 -0.056 0.000 0.819 2328 L CB 1.651 43.663 42.059 -0.079 0.000 1.227 2328 L HN 0.219 nan 8.230 nan 0.000 0.417 2329 L N 2.462 123.669 121.223 -0.027 0.000 2.270 2329 L HA 0.078 4.430 4.340 0.020 0.000 0.210 2329 L C 0.765 177.621 176.870 -0.022 0.000 1.104 2329 L CA 1.054 55.882 54.840 -0.020 0.000 0.804 2329 L CB -0.159 41.896 42.059 -0.007 0.000 0.937 2329 L HN 0.642 nan 8.230 nan 0.000 0.450 2330 K N -1.192 119.193 120.400 -0.025 0.000 2.250 2330 K HA 0.398 4.730 4.320 0.020 0.000 0.261 2330 K C -0.404 176.171 176.600 -0.041 0.000 1.047 2330 K CA -0.666 55.606 56.287 -0.026 0.000 0.884 2330 K CB 0.812 33.304 32.500 -0.013 0.000 1.476 2330 K HN -0.190 nan 8.250 nan 0.000 0.445 2331 T N -1.619 112.910 114.554 -0.042 0.000 2.899 2331 T HA 0.152 4.514 4.350 0.020 0.000 0.295 2331 T C -2.041 172.621 174.700 -0.063 0.000 1.033 2331 T CA -1.413 60.652 62.100 -0.058 0.000 1.084 2331 T CB 0.927 69.760 68.868 -0.059 0.000 0.979 2331 T HN 0.133 nan 8.240 nan 0.000 0.532 2332 P HA -0.129 nan 4.420 nan 0.000 0.217 2332 P C 1.179 178.431 177.300 -0.079 0.000 1.151 2332 P CA 1.157 64.197 63.100 -0.101 0.000 0.849 2332 P CB 0.091 31.719 31.700 -0.120 0.000 0.787 2333 E N -0.113 120.049 120.200 -0.064 0.000 2.015 2333 E HA -0.178 4.184 4.350 0.020 0.000 0.191 2333 E C 1.950 178.541 176.600 -0.015 0.000 0.991 2333 E CA 1.293 57.668 56.400 -0.041 0.000 0.802 2333 E CB -1.074 28.599 29.700 -0.045 0.000 0.759 2333 E HN 0.381 nan 8.360 nan 0.000 0.447 2334 E N 0.362 120.553 120.200 -0.015 0.000 2.171 2334 E HA -0.182 4.180 4.350 0.020 0.000 0.197 2334 E C 2.018 178.633 176.600 0.024 0.000 0.997 2334 E CA 0.835 57.237 56.400 0.003 0.000 0.810 2334 E CB -0.193 29.505 29.700 -0.005 0.000 0.738 2334 E HN 0.204 nan 8.360 nan 0.000 0.467 2335 L N 0.510 121.742 121.223 0.015 0.000 2.179 2335 L HA -0.159 4.193 4.340 0.020 0.000 0.208 2335 L C 2.407 179.345 176.870 0.114 0.000 1.096 2335 L CA 0.898 55.768 54.840 0.050 0.000 0.779 2335 L CB -0.186 41.871 42.059 -0.003 0.000 0.922 2335 L HN 0.137 nan 8.230 nan 0.000 0.443 2336 Q N 0.093 119.924 119.800 0.051 0.000 2.049 2336 Q HA -0.029 4.323 4.340 0.020 0.000 0.198 2336 Q C 1.606 177.734 176.000 0.213 0.000 0.971 2336 Q CA 1.223 57.093 55.803 0.112 0.000 0.833 2336 Q CB -0.126 28.624 28.738 0.020 0.000 0.896 2336 Q HN 0.457 nan 8.270 nan 0.000 0.434 2337 A N 0.885 123.775 122.820 0.117 0.000 2.728 2337 A HA 0.020 4.352 4.320 0.020 0.000 0.258 2337 A C 0.818 178.452 177.584 0.085 0.000 1.454 2337 A CA 0.231 52.324 52.037 0.093 0.000 1.146 2337 A CB -0.274 18.760 19.000 0.056 0.000 0.985 2337 A HN 0.325 nan 8.150 nan 0.000 0.603 2338 E N -0.134 120.141 120.200 0.124 0.000 2.639 2338 E HA 0.044 4.406 4.350 0.020 0.000 0.225 2338 E C -0.045 176.579 176.600 0.040 0.000 0.921 2338 E CA -0.356 56.093 56.400 0.082 0.000 1.184 2338 E CB 0.208 29.966 29.700 0.097 0.000 1.160 2338 E HN 0.353 nan 8.360 nan 0.000 0.547 2339 R N 0.906 121.428 120.500 0.037 0.000 3.266 2339 R HA -0.247 4.105 4.340 0.020 0.000 0.245 2339 R C 0.147 176.281 176.300 -0.277 0.000 0.941 2339 R CA 1.158 57.132 56.100 -0.210 0.000 0.638 2339 R CB -2.716 27.494 30.300 -0.150 0.000 1.019 2339 R HN 0.352 nan 8.270 nan 0.000 0.462 2340 N N 0.291 118.876 118.700 -0.192 0.000 2.460 2340 N HA 0.014 4.766 4.740 0.020 0.000 0.193 2340 N C 0.204 175.649 175.510 -0.107 0.000 1.080 2340 N CA -0.115 52.867 53.050 -0.114 0.000 0.869 2340 N CB 0.320 38.812 38.487 0.008 0.000 1.201 2340 N HN 0.271 nan 8.380 nan 0.000 0.457 2341 F N 2.706 122.670 119.950 0.023 0.000 2.607 2341 F HA 0.167 4.706 4.527 0.020 0.000 0.374 2341 F C 0.812 176.632 175.800 0.034 0.000 1.104 2341 F CA -1.181 56.853 58.000 0.057 0.000 1.296 2341 F CB -0.352 38.660 39.000 0.021 0.000 1.085 2341 F HN 0.099 nan 8.300 nan 0.000 0.584 2342 H N 1.540 120.634 119.070 0.039 0.000 3.125 2342 H HA 0.093 4.660 4.556 0.020 0.000 0.310 2342 H C -0.093 175.248 175.328 0.022 0.000 0.980 2342 H CA -0.158 55.858 56.048 -0.053 0.000 1.422 2342 H CB -0.409 29.299 29.762 -0.089 0.000 1.432 2342 H HN 0.795 nan 8.280 nan 0.000 0.577 2343 T N 1.902 116.381 114.554 -0.126 0.000 2.761 2343 T HA 0.483 4.845 4.350 0.020 0.000 0.296 2343 T C 0.526 175.235 174.700 0.016 0.000 0.934 2343 T CA -0.501 61.540 62.100 -0.098 0.000 1.091 2343 T CB 0.448 69.194 68.868 -0.202 0.000 0.896 2343 T HN 0.696 nan 8.240 nan 0.000 0.515 2344 V N 0.144 120.150 119.914 0.152 0.000 3.040 2344 V HA 0.746 4.878 4.120 0.020 0.000 0.312 2344 V C -3.153 173.143 176.094 0.337 0.000 1.115 2344 V CA -3.534 58.867 62.300 0.169 0.000 0.998 2344 V CB 1.666 33.555 31.823 0.111 0.000 1.042 2344 V HN 0.533 nan 8.190 nan 0.000 0.433 2345 P HA 0.154 nan 4.420 nan 0.000 0.262 2345 P C -1.444 176.167 177.300 0.517 0.000 1.199 2345 P CA 0.729 64.021 63.100 0.320 0.000 0.763 2345 P CB -0.244 31.444 31.700 -0.020 0.000 0.790 2346 Y N 4.041 124.553 120.300 0.352 0.000 2.361 2346 Y HA 0.532 5.094 4.550 0.019 0.000 0.337 2346 Y C -0.551 175.356 175.900 0.011 0.000 0.965 2346 Y CA -1.514 56.626 58.100 0.066 0.000 1.091 2346 Y CB 1.446 39.516 38.460 -0.650 0.000 1.182 2346 Y HN 0.198 nan 8.280 nan 0.000 0.450 2347 M N 8.048 127.593 119.600 -0.091 0.000 2.114 2347 M HA 0.498 4.990 4.480 0.020 0.000 0.332 2347 M C -2.183 173.823 176.300 -0.491 0.000 1.014 2347 M CA -0.703 54.285 55.300 -0.519 0.000 0.956 2347 M CB 0.816 32.734 32.600 -1.137 0.000 1.551 2347 M HN 0.430 nan 8.290 nan 0.000 0.427 2348 V N 4.791 124.373 119.914 -0.553 0.000 2.384 2348 V HA 0.859 4.991 4.120 0.020 0.000 0.287 2348 V C 0.369 176.175 176.094 -0.481 0.000 1.020 2348 V CA -0.506 61.464 62.300 -0.550 0.000 0.850 2348 V CB 1.290 32.708 31.823 -0.675 0.000 0.987 2348 V HN 0.990 nan 8.190 nan 0.000 0.436 2349 G N 4.174 112.643 108.800 -0.551 0.000 2.642 2349 G HA2 0.894 4.866 3.960 0.020 0.000 0.293 2349 G HA3 0.894 4.866 3.960 0.020 0.000 0.293 2349 G C -1.153 173.400 174.900 -0.579 0.000 1.341 2349 G CA -0.670 43.731 45.100 -1.165 0.000 0.916 2349 G HN 0.883 nan 8.290 nan 0.000 0.474 2350 I N -2.628 117.677 120.570 -0.441 0.000 3.343 2350 I HA 0.618 4.800 4.170 0.020 0.000 0.315 2350 I C -1.172 175.003 176.117 0.097 0.000 1.153 2350 I CA -1.433 59.820 61.300 -0.078 0.000 0.952 2350 I CB 2.442 40.433 38.000 -0.016 0.000 1.287 2350 I HN 0.419 nan 8.210 nan 0.000 0.472 2351 N N 1.176 119.957 118.700 0.135 0.000 2.314 2351 N HA 0.237 4.989 4.740 0.020 0.000 0.304 2351 N C -0.038 175.586 175.510 0.190 0.000 1.073 2351 N CA -0.800 52.399 53.050 0.248 0.000 0.822 2351 N CB 2.328 40.963 38.487 0.247 0.000 1.280 2351 N HN 0.522 nan 8.380 nan 0.000 0.489 2352 K N 1.029 121.556 120.400 0.212 0.000 2.052 2352 K HA -0.218 4.114 4.320 0.020 0.000 0.215 2352 K C 0.103 176.792 176.600 0.148 0.000 1.053 2352 K CA 1.962 58.345 56.287 0.161 0.000 0.934 2352 K CB 0.059 32.641 32.500 0.136 0.000 0.717 2352 K HN 0.575 nan 8.250 nan 0.000 0.450 2353 Q N 0.097 119.992 119.800 0.158 0.000 2.849 2353 Q HA 0.108 4.460 4.340 0.020 0.000 0.289 2353 Q C -0.098 175.996 176.000 0.158 0.000 1.012 2353 Q CA -0.334 55.564 55.803 0.158 0.000 0.899 2353 Q CB 1.385 30.215 28.738 0.154 0.000 1.235 2353 Q HN 0.166 nan 8.270 nan 0.000 0.457 2354 E N 0.226 120.496 120.200 0.118 0.000 2.130 2354 E HA -0.193 4.169 4.350 0.020 0.000 0.196 2354 E C 0.486 177.140 176.600 0.090 0.000 0.998 2354 E CA 1.345 57.754 56.400 0.015 0.000 0.806 2354 E CB 0.129 29.701 29.700 -0.214 0.000 0.738 2354 E HN 0.461 nan 8.360 nan 0.000 0.459 2355 F N 0.199 120.147 119.950 -0.004 0.000 2.750 2355 F HA 0.272 4.812 4.527 0.021 0.000 0.297 2355 F C 1.722 177.530 175.800 0.014 0.000 1.138 2355 F CA -0.185 57.793 58.000 -0.035 0.000 1.346 2355 F CB 0.484 39.434 39.000 -0.084 0.000 0.965 2355 F HN -0.068 nan 8.300 nan 0.000 0.514 2356 G N 0.254 109.135 108.800 0.136 0.000 2.418 2356 G HA2 -0.288 3.684 3.960 0.020 0.000 0.217 2356 G HA3 -0.288 3.684 3.960 0.020 0.000 0.217 2356 G C 1.058 176.082 174.900 0.207 0.000 1.158 2356 G CA 1.527 46.731 45.100 0.172 0.000 0.771 2356 G HN 0.615 nan 8.290 nan 0.000 0.545 2357 W N -1.435 119.822 121.300 -0.071 0.000 5.536 2357 W HA 0.263 4.934 4.660 0.018 0.000 0.165 2357 W C 1.741 178.180 176.519 -0.132 0.000 1.879 2357 W CA 0.325 57.622 57.345 -0.079 0.000 1.983 2357 W CB -0.686 28.765 29.460 -0.015 0.000 0.657 2357 W HN 0.037 nan 8.180 nan 0.000 1.106 2358 L N 2.401 123.477 121.223 -0.245 0.000 1.976 2358 L HA -0.251 4.101 4.340 0.020 0.000 0.223 2358 L C 2.107 178.642 176.870 -0.559 0.000 1.081 2358 L CA 3.185 57.709 54.840 -0.526 0.000 0.784 2358 L CB -1.335 40.727 42.059 0.005 0.000 0.896 2358 L HN 0.275 nan 8.230 nan 0.000 0.438 2359 I N -0.684 119.599 120.570 -0.478 0.000 2.127 2359 I HA -0.231 3.951 4.170 0.020 0.000 0.241 2359 I C -0.207 175.502 176.117 -0.681 0.000 1.075 2359 I CA 1.532 62.497 61.300 -0.559 0.000 1.334 2359 I CB -1.921 35.687 38.000 -0.654 0.000 1.040 2359 I HN 0.291 nan 8.210 nan 0.000 0.405 2360 P HA -0.179 nan 4.420 nan 0.000 0.215 2360 P C 1.180 178.291 177.300 -0.314 0.000 1.157 2360 P CA 1.225 63.897 63.100 -0.714 0.000 0.868 2360 P CB -0.061 31.264 31.700 -0.625 0.000 0.788 2364 M N 0.661 120.244 119.600 -0.029 0.000 2.700 2364 M HA 0.024 4.516 4.480 0.020 0.000 0.249 2364 M C 0.275 176.648 176.300 0.122 0.000 1.082 2364 M CA 0.633 55.991 55.300 0.097 0.000 1.077 2364 M CB -0.106 32.636 32.600 0.237 0.000 1.477 2364 M HN 0.325 nan 8.290 nan 0.000 0.529 2365 S N 0.166 115.910 115.700 0.074 0.000 3.766 2365 S HA -0.161 4.321 4.470 0.020 0.000 0.416 2365 S C -0.499 174.179 174.600 0.130 0.000 0.902 2365 S CA 0.083 58.324 58.200 0.068 0.000 1.283 2365 S CB -1.710 61.507 63.200 0.028 0.000 0.891 2365 S HN 0.402 nan 8.310 nan 0.000 0.556 2366 Y N 0.950 121.260 120.300 0.017 0.000 2.411 2366 Y HA 0.256 4.818 4.550 0.020 0.000 0.333 2366 Y C -0.982 174.965 175.900 0.078 0.000 1.186 2366 Y CA -1.350 56.801 58.100 0.086 0.000 1.381 2366 Y CB 0.269 38.824 38.460 0.158 0.000 1.273 2366 Y HN 0.131 nan 8.280 nan 0.000 0.546 2367 P HA -0.056 nan 4.420 nan 0.000 0.236 2367 P C 0.273 177.643 177.300 0.117 0.000 1.172 2367 P CA 0.923 64.063 63.100 0.066 0.000 0.759 2367 P CB -0.036 31.666 31.700 0.002 0.000 0.843 2368 L N -0.696 120.650 121.223 0.204 0.000 3.062 2368 L HA -0.017 4.335 4.340 0.020 0.000 0.264 2368 L C 2.076 179.026 176.870 0.133 0.000 1.242 2368 L CA 0.296 55.248 54.840 0.187 0.000 1.072 2368 L CB -1.077 41.138 42.059 0.259 0.000 1.420 2368 L HN 0.085 nan 8.230 nan 0.000 0.412 2369 S N 0.340 116.100 115.700 0.099 0.000 2.368 2369 S HA -0.161 4.321 4.470 0.020 0.000 0.224 2369 S C 1.892 176.534 174.600 0.069 0.000 1.029 2369 S CA 1.063 59.310 58.200 0.079 0.000 0.988 2369 S CB 0.085 63.320 63.200 0.058 0.000 0.838 2369 S HN 0.483 nan 8.310 nan 0.000 0.462 2370 E N 0.583 120.820 120.200 0.060 0.000 2.338 2370 E HA 0.018 4.380 4.350 0.020 0.000 0.197 2370 E C 1.350 177.984 176.600 0.057 0.000 1.007 2370 E CA 0.655 57.084 56.400 0.049 0.000 0.849 2370 E CB -0.729 28.992 29.700 0.036 0.000 0.774 2370 E HN 0.692 nan 8.360 nan 0.000 0.506 2371 G N 1.912 110.758 108.800 0.077 0.000 2.356 2371 G HA2 -0.323 3.649 3.960 0.020 0.000 0.296 2371 G HA3 -0.323 3.649 3.960 0.020 0.000 0.296 2371 G C 0.075 175.017 174.900 0.070 0.000 1.022 2371 G CA 1.183 46.334 45.100 0.085 0.000 0.961 2371 G HN 0.339 nan 8.290 nan 0.000 0.510 2372 Q N -1.787 118.049 119.800 0.060 0.000 2.503 2372 Q HA 0.653 5.005 4.340 0.020 0.000 0.268 2372 Q C -1.933 174.080 176.000 0.022 0.000 0.982 2372 Q CA -0.936 54.894 55.803 0.044 0.000 0.907 2372 Q CB 1.536 30.295 28.738 0.034 0.000 1.467 2372 Q HN 0.454 nan 8.270 nan 0.000 0.394 2373 L N 2.656 123.885 121.223 0.010 0.000 2.466 2373 L HA 0.624 4.976 4.340 0.020 0.000 0.258 2373 L C -1.957 174.896 176.870 -0.027 0.000 0.973 2373 L CA -0.256 54.562 54.840 -0.036 0.000 0.826 2373 L CB 2.172 44.171 42.059 -0.100 0.000 1.372 2373 L HN 0.775 nan 8.230 nan 0.000 0.409 2374 D N 1.591 121.965 120.400 -0.043 0.000 2.575 2374 D HA 0.284 4.936 4.640 0.020 0.000 0.236 2374 D C 0.326 176.609 176.300 -0.028 0.000 1.075 2374 D CA -0.601 53.387 54.000 -0.021 0.000 0.860 2374 D CB 1.117 41.910 40.800 -0.010 0.000 1.475 2374 D HN 0.407 nan 8.370 nan 0.000 0.474 2375 Q N 0.605 120.403 119.800 -0.002 0.000 2.231 2375 Q HA -0.300 4.052 4.340 0.020 0.000 0.217 2375 Q C 1.276 177.278 176.000 0.003 0.000 1.013 2375 Q CA 1.932 57.742 55.803 0.011 0.000 0.917 2375 Q CB -0.388 28.362 28.738 0.021 0.000 0.968 2375 Q HN 0.478 nan 8.270 nan 0.000 0.414 2376 K N -0.067 120.330 120.400 -0.005 0.000 1.973 2376 K HA -0.060 4.272 4.320 0.020 0.000 0.212 2376 K C 2.285 178.877 176.600 -0.013 0.000 1.047 2376 K CA 1.867 58.151 56.287 -0.004 0.000 0.937 2376 K CB -0.808 31.690 32.500 -0.004 0.000 0.721 2376 K HN 0.196 nan 8.250 nan 0.000 0.440 2377 T N 0.814 115.346 114.554 -0.036 0.000 2.684 2377 T HA -0.207 4.155 4.350 0.020 0.000 0.267 2377 T C 1.810 176.443 174.700 -0.111 0.000 1.036 2377 T CA 1.561 63.625 62.100 -0.059 0.000 1.148 2377 T CB -0.575 68.245 68.868 -0.079 0.000 0.863 2377 T HN 0.353 nan 8.240 nan 0.000 0.436 2378 A N 1.821 124.528 122.820 -0.188 0.000 1.873 2378 A HA -0.174 4.158 4.320 0.020 0.000 0.218 2378 A C 2.366 179.947 177.584 -0.005 0.000 1.193 2378 A CA 2.070 53.913 52.037 -0.323 0.000 0.629 2378 A CB -0.849 18.024 19.000 -0.212 0.000 0.826 2378 A HN 0.502 nan 8.150 nan 0.000 0.447 2379 M N 0.506 120.145 119.600 0.065 0.000 2.267 2379 M HA -0.159 4.333 4.480 0.020 0.000 0.263 2379 M C 2.367 178.772 176.300 0.176 0.000 1.063 2379 M CA 1.796 57.177 55.300 0.136 0.000 1.090 2379 M CB -0.480 32.166 32.600 0.077 0.000 1.392 2379 M HN 0.699 nan 8.290 nan 0.000 0.422 2380 S N 0.242 116.022 115.700 0.133 0.000 2.395 2380 S HA -0.003 4.479 4.470 0.020 0.000 0.225 2380 S C 1.814 176.561 174.600 0.245 0.000 1.027 2380 S CA 0.502 58.814 58.200 0.188 0.000 0.965 2380 S CB -0.573 62.692 63.200 0.108 0.000 0.812 2380 S HN 0.447 nan 8.310 nan 0.000 0.482 2381 L N 0.230 121.561 121.223 0.180 0.000 2.044 2381 L HA 0.107 4.459 4.340 0.020 0.000 0.205 2381 L C 2.440 179.557 176.870 0.412 0.000 1.075 2381 L CA 0.838 55.818 54.840 0.233 0.000 0.747 2381 L CB -0.388 41.766 42.059 0.159 0.000 0.903 2381 L HN 0.318 nan 8.230 nan 0.000 0.435 2382 L N -0.986 120.559 121.223 0.537 0.000 2.450 2382 L HA -0.248 4.104 4.340 0.020 0.000 0.224 2382 L C 1.751 178.890 176.870 0.447 0.000 1.149 2382 L CA 1.558 56.690 54.840 0.487 0.000 0.816 2382 L CB -0.507 41.846 42.059 0.490 0.000 0.932 2382 L HN 0.385 nan 8.230 nan 0.000 0.449 2383 W N -0.671 120.753 121.300 0.206 0.000 2.601 2383 W HA -0.076 4.596 4.660 0.020 0.000 0.292 2383 W C 1.873 178.496 176.519 0.173 0.000 1.153 2383 W CA -0.154 57.302 57.345 0.184 0.000 1.448 2383 W CB 0.179 29.710 29.460 0.118 0.000 1.113 2383 W HN -0.118 nan 8.180 nan 0.000 0.548 2384 K N 1.124 121.551 120.400 0.046 0.000 2.211 2384 K HA -0.135 4.197 4.320 0.020 0.000 0.204 2384 K C 1.660 178.206 176.600 -0.091 0.000 1.047 2384 K CA 1.672 57.882 56.287 -0.129 0.000 0.935 2384 K CB -0.906 31.571 32.500 -0.039 0.000 0.728 2384 K HN 0.205 nan 8.250 nan 0.000 0.452 2385 S N -0.313 115.406 115.700 0.033 0.000 2.679 2385 S HA 0.015 4.497 4.470 0.020 0.000 0.233 2385 S C 1.456 176.070 174.600 0.023 0.000 0.951 2385 S CA -0.543 57.697 58.200 0.067 0.000 0.973 2385 S CB -0.404 62.916 63.200 0.200 0.000 0.778 2385 S HN 0.242 nan 8.310 nan 0.000 0.477 2386 Y N 4.005 124.207 120.300 -0.164 0.000 2.114 2386 Y HA -0.087 4.475 4.550 0.020 0.000 0.282 2386 Y C -0.887 174.937 175.900 -0.126 0.000 1.165 2386 Y CA 1.839 59.829 58.100 -0.184 0.000 1.148 2386 Y CB -1.266 36.906 38.460 -0.480 0.000 0.972 2386 Y HN 0.296 nan 8.280 nan 0.000 0.504 2387 P HA -0.169 nan 4.420 nan 0.000 0.226 2387 P C 1.225 178.424 177.300 -0.168 0.000 1.146 2387 P CA 1.578 64.605 63.100 -0.122 0.000 0.773 2387 P CB -0.078 31.612 31.700 -0.016 0.000 0.772 2388 L N -0.793 120.334 121.223 -0.161 0.000 2.269 2388 L HA 0.016 4.368 4.340 0.020 0.000 0.200 2388 L C 2.495 179.210 176.870 -0.259 0.000 1.069 2388 L CA 0.727 55.468 54.840 -0.164 0.000 0.804 2388 L CB -0.352 41.660 42.059 -0.078 0.000 0.987 2388 L HN -0.168 nan 8.230 nan 0.000 0.468 2389 V N -5.846 113.905 119.914 -0.271 0.000 3.565 2389 V HA 0.108 4.240 4.120 0.020 0.000 0.260 2389 V C 1.206 177.135 176.094 -0.275 0.000 1.231 2389 V CA -0.489 61.649 62.300 -0.271 0.000 1.100 2389 V CB -0.171 31.514 31.823 -0.230 0.000 0.807 2389 V HN 0.490 nan 8.190 nan 0.000 0.454 2390 C N 1.367 120.352 119.300 -0.524 0.000 4.167 2390 C HA -0.170 4.302 4.460 0.020 0.000 0.302 2390 C C 0.551 175.414 174.990 -0.211 0.000 1.384 2390 C CA 0.275 58.794 59.018 -0.833 0.000 2.041 2390 C CB -2.733 24.647 27.740 -0.600 0.000 1.303 2390 C HN 0.662 nan 8.230 nan 0.000 0.718 2391 I N 1.405 122.041 120.570 0.109 0.000 2.312 2391 I HA 0.437 4.619 4.170 0.020 0.000 0.290 2391 I C 0.983 177.507 176.117 0.679 0.000 1.008 2391 I CA 0.004 61.602 61.300 0.495 0.000 1.226 2391 I CB 1.055 39.299 38.000 0.407 0.000 1.371 2391 I HN 0.497 nan 8.210 nan 0.000 0.468 2392 A N 6.253 129.444 122.820 0.617 0.000 2.565 2392 A HA -0.012 4.320 4.320 0.020 0.000 0.237 2392 A C 1.588 179.358 177.584 0.310 0.000 1.053 2392 A CA 0.059 52.415 52.037 0.530 0.000 0.755 2392 A CB 0.156 19.350 19.000 0.324 0.000 0.980 2392 A HN 0.943 nan 8.150 nan 0.000 0.506 2393 K N 1.306 121.713 120.400 0.011 0.000 2.127 2393 K HA -0.243 4.089 4.320 0.020 0.000 0.208 2393 K C 1.724 178.185 176.600 -0.232 0.000 1.047 2393 K CA 2.187 58.142 56.287 -0.554 0.000 0.927 2393 K CB -0.069 31.612 32.500 -1.366 0.000 0.716 2393 K HN 0.928 nan 8.250 nan 0.000 0.450 2394 E N 0.293 120.427 120.200 -0.111 0.000 2.347 2394 E HA -0.170 4.192 4.350 0.020 0.000 0.196 2394 E C 1.651 178.253 176.600 0.003 0.000 1.008 2394 E CA 0.796 57.163 56.400 -0.055 0.000 0.852 2394 E CB -0.074 29.610 29.700 -0.025 0.000 0.783 2394 E HN 0.406 nan 8.360 nan 0.000 0.505 2395 L N 0.461 121.720 121.223 0.060 0.000 2.554 2395 L HA 0.077 4.429 4.340 0.020 0.000 0.225 2395 L C 2.171 179.105 176.870 0.107 0.000 1.104 2395 L CA -0.296 54.591 54.840 0.078 0.000 0.866 2395 L CB -0.117 42.010 42.059 0.113 0.000 1.047 2395 L HN 0.061 nan 8.230 nan 0.000 0.468 2396 I N 0.994 121.639 120.570 0.125 0.000 2.185 2396 I HA -0.204 3.978 4.170 0.020 0.000 0.246 2396 I C -0.009 176.187 176.117 0.132 0.000 1.088 2396 I CA 1.951 63.349 61.300 0.163 0.000 1.347 2396 I CB -2.248 35.837 38.000 0.142 0.000 1.041 2396 I HN 0.171 nan 8.210 nan 0.000 0.415 2397 P HA -0.165 nan 4.420 nan 0.000 0.210 2397 P C 1.618 178.971 177.300 0.088 0.000 1.189 2397 P CA 1.434 64.575 63.100 0.067 0.000 0.920 2397 P CB -0.091 31.628 31.700 0.032 0.000 0.782 2398 E N -0.656 119.590 120.200 0.078 0.000 2.169 2398 E HA -0.253 4.109 4.350 0.020 0.000 0.202 2398 E C 1.964 178.678 176.600 0.190 0.000 1.016 2398 E CA 1.464 57.929 56.400 0.108 0.000 0.817 2398 E CB -0.543 29.194 29.700 0.061 0.000 0.736 2398 E HN 0.189 nan 8.360 nan 0.000 0.462 2399 A N 0.536 123.463 122.820 0.179 0.000 1.872 2399 A HA -0.121 4.211 4.320 0.020 0.000 0.214 2399 A C 2.381 180.103 177.584 0.231 0.000 1.187 2399 A CA 1.651 53.818 52.037 0.217 0.000 0.614 2399 A CB -0.694 18.481 19.000 0.291 0.000 0.826 2399 A HN 0.184 nan 8.150 nan 0.000 0.442 2400 T N 0.483 115.165 114.554 0.213 0.000 2.788 2400 T HA -0.137 4.225 4.350 0.020 0.000 0.268 2400 T C 1.680 176.477 174.700 0.163 0.000 1.044 2400 T CA 1.686 63.915 62.100 0.216 0.000 1.139 2400 T CB -0.289 68.687 68.868 0.180 0.000 0.867 2400 T HN 0.657 nan 8.240 nan 0.000 0.454 2401 E N 0.860 121.125 120.200 0.108 0.000 2.072 2401 E HA -0.107 4.255 4.350 0.020 0.000 0.191 2401 E C 2.215 178.813 176.600 -0.004 0.000 0.985 2401 E CA 0.858 57.289 56.400 0.052 0.000 0.801 2401 E CB -0.114 29.609 29.700 0.038 0.000 0.750 2401 E HN 0.222 nan 8.360 nan 0.000 0.452 2402 K N 0.220 120.586 120.400 -0.056 0.000 2.211 2402 K HA -0.137 4.195 4.320 0.020 0.000 0.203 2402 K C 1.138 177.544 176.600 -0.324 0.000 1.050 2402 K CA 1.308 57.406 56.287 -0.316 0.000 0.945 2402 K CB -0.029 31.973 32.500 -0.829 0.000 0.732 2402 K HN 0.162 nan 8.250 nan 0.000 0.451 2403 Y N -1.085 119.125 120.300 -0.149 0.000 2.559 2403 Y HA 0.248 4.810 4.550 0.020 0.000 0.279 2403 Y C 1.447 177.355 175.900 0.014 0.000 1.117 2403 Y CA 0.376 58.444 58.100 -0.053 0.000 1.263 2403 Y CB 0.488 38.969 38.460 0.034 0.000 1.230 2403 Y HN -0.132 nan 8.280 nan 0.000 0.528 2404 L N -1.671 119.667 121.223 0.192 0.000 2.556 2404 L HA 0.251 4.603 4.340 0.020 0.000 0.226 2404 L C 2.323 179.234 176.870 0.069 0.000 1.089 2404 L CA 0.693 55.616 54.840 0.138 0.000 0.864 2404 L CB -0.526 41.626 42.059 0.155 0.000 1.067 2404 L HN 0.220 nan 8.230 nan 0.000 0.477 2405 G N 0.828 109.652 108.800 0.041 0.000 2.422 2405 G HA2 -0.189 3.783 3.960 0.020 0.000 0.218 2405 G HA3 -0.189 3.783 3.960 0.020 0.000 0.218 2405 G C 1.599 176.499 174.900 -0.000 0.000 1.146 2405 G CA 0.812 45.920 45.100 0.013 0.000 0.769 2405 G HN 0.418 nan 8.290 nan 0.000 0.547 2406 G N 0.267 109.058 108.800 -0.016 0.000 2.649 2406 G HA2 -0.117 3.855 3.960 0.020 0.000 0.220 2406 G HA3 -0.117 3.855 3.960 0.020 0.000 0.220 2406 G C 1.213 176.111 174.900 -0.004 0.000 1.189 2406 G CA 2.130 47.217 45.100 -0.021 0.000 0.777 2406 G HN 0.908 nan 8.290 nan 0.000 0.602 2407 T N -4.345 110.216 114.554 0.011 0.000 2.870 2407 T HA 0.582 4.944 4.350 0.020 0.000 0.277 2407 T C 0.141 174.853 174.700 0.020 0.000 1.000 2407 T CA -0.162 61.947 62.100 0.015 0.000 0.982 2407 T CB 2.184 71.066 68.868 0.022 0.000 1.249 2407 T HN -0.029 nan 8.240 nan 0.000 0.589 2408 D N -0.659 119.752 120.400 0.019 0.000 2.469 2408 D HA 0.110 4.762 4.640 0.020 0.000 0.213 2408 D C -0.289 176.025 176.300 0.022 0.000 1.135 2408 D CA -0.082 53.930 54.000 0.019 0.000 0.834 2408 D CB 0.337 41.145 40.800 0.013 0.000 1.009 2408 D HN 0.591 nan 8.370 nan 0.000 0.507 2409 D N 2.138 122.554 120.400 0.026 0.000 2.348 2409 D HA -0.034 4.618 4.640 0.020 0.000 0.259 2409 D C 1.499 177.821 176.300 0.036 0.000 1.296 2409 D CA 0.236 54.253 54.000 0.029 0.000 0.931 2409 D CB 0.963 41.781 40.800 0.031 0.000 1.067 2409 D HN 0.067 nan 8.370 nan 0.000 0.503 2410 T N 0.357 114.930 114.554 0.031 0.000 2.760 2410 T HA -0.196 4.166 4.350 0.020 0.000 0.269 2410 T C 1.988 176.714 174.700 0.045 0.000 1.047 2410 T CA 1.065 63.185 62.100 0.032 0.000 1.139 2410 T CB -0.281 68.601 68.868 0.023 0.000 0.855 2410 T HN 0.248 nan 8.240 nan 0.000 0.471 2411 V N 1.450 121.391 119.914 0.046 0.000 2.515 2411 V HA -0.075 4.057 4.120 0.020 0.000 0.250 2411 V C 2.720 178.857 176.094 0.072 0.000 1.058 2411 V CA 1.531 63.865 62.300 0.057 0.000 1.064 2411 V CB -0.569 31.283 31.823 0.048 0.000 0.675 2411 V HN 0.510 nan 8.190 nan 0.000 0.461 2412 K N 0.032 120.472 120.400 0.066 0.000 2.155 2412 K HA -0.084 4.248 4.320 0.020 0.000 0.203 2412 K C 2.224 178.886 176.600 0.103 0.000 1.052 2412 K CA 0.889 57.222 56.287 0.078 0.000 0.948 2412 K CB -0.112 32.425 32.500 0.061 0.000 0.728 2412 K HN 0.409 nan 8.250 nan 0.000 0.448 2413 K N 0.965 121.422 120.400 0.095 0.000 2.097 2413 K HA -0.133 4.199 4.320 0.020 0.000 0.206 2413 K C 2.145 178.844 176.600 0.164 0.000 1.049 2413 K CA 0.933 57.290 56.287 0.117 0.000 0.933 2413 K CB 0.042 32.587 32.500 0.074 0.000 0.717 2413 K HN -0.039 nan 8.250 nan 0.000 0.442 2414 K N 1.507 121.991 120.400 0.139 0.000 2.057 2414 K HA -0.165 4.167 4.320 0.020 0.000 0.206 2414 K C 1.230 177.983 176.600 0.255 0.000 1.050 2414 K CA 1.617 58.015 56.287 0.186 0.000 0.935 2414 K CB -0.050 32.532 32.500 0.135 0.000 0.715 2414 K HN 0.109 nan 8.250 nan 0.000 0.439 2415 D N 0.817 121.334 120.400 0.194 0.000 2.224 2415 D HA -0.094 4.558 4.640 0.020 0.000 0.205 2415 D C 1.985 178.408 176.300 0.205 0.000 0.965 2415 D CA 0.656 54.768 54.000 0.187 0.000 0.852 2415 D CB 0.139 41.022 40.800 0.140 0.000 0.947 2415 D HN 0.243 nan 8.370 nan 0.000 0.494 2416 L N -0.299 121.056 121.223 0.221 0.000 2.270 2416 L HA -0.039 4.313 4.340 0.020 0.000 0.210 2416 L C 2.195 179.233 176.870 0.281 0.000 1.104 2416 L CA 0.146 55.137 54.840 0.252 0.000 0.804 2416 L CB -0.199 42.005 42.059 0.241 0.000 0.937 2416 L HN -0.074 nan 8.230 nan 0.000 0.450 2417 F N 0.902 120.922 119.950 0.117 0.000 2.186 2417 F HA -0.161 4.378 4.527 0.020 0.000 0.299 2417 F C 2.054 177.866 175.800 0.018 0.000 1.090 2417 F CA 1.380 59.421 58.000 0.068 0.000 1.307 2417 F CB -0.083 38.975 39.000 0.096 0.000 1.019 2417 F HN -0.100 nan 8.300 nan 0.000 0.489 2418 L N -0.449 120.846 121.223 0.120 0.000 2.109 2418 L HA -0.160 4.192 4.340 0.020 0.000 0.207 2418 L C 1.793 178.666 176.870 0.005 0.000 1.086 2418 L CA 1.129 56.010 54.840 0.068 0.000 0.760 2418 L CB -0.739 41.466 42.059 0.244 0.000 0.910 2418 L HN 0.006 nan 8.230 nan 0.000 0.437 2419 D N 0.019 120.464 120.400 0.075 0.000 2.348 2419 D HA -0.093 4.559 4.640 0.020 0.000 0.216 2419 D C 2.129 178.428 176.300 -0.001 0.000 0.970 2419 D CA 0.692 54.762 54.000 0.117 0.000 0.889 2419 D CB 0.355 41.294 40.800 0.232 0.000 0.912 2419 D HN 0.313 nan 8.370 nan 0.000 0.524 2420 L N 0.348 121.411 121.223 -0.266 0.000 2.049 2420 L HA -0.104 4.248 4.340 0.020 0.000 0.203 2420 L C 2.086 178.630 176.870 -0.543 0.000 1.074 2420 L CA 0.587 55.020 54.840 -0.677 0.000 0.749 2420 L CB 0.012 41.640 42.059 -0.719 0.000 0.907 2420 L HN -0.142 nan 8.230 nan 0.000 0.439 2421 I N 0.895 121.078 120.570 -0.645 0.000 2.163 2421 I HA -0.294 3.888 4.170 0.020 0.000 0.243 2421 I C 2.903 178.744 176.117 -0.461 0.000 1.085 2421 I CA 1.685 62.537 61.300 -0.746 0.000 1.347 2421 I CB -1.805 35.379 38.000 -1.360 0.000 1.044 2421 I HN 0.342 nan 8.210 nan 0.000 0.408 2422 A N 0.487 123.171 122.820 -0.227 0.000 1.940 2422 A HA -0.237 4.095 4.320 0.020 0.000 0.219 2422 A C 1.960 179.594 177.584 0.084 0.000 1.176 2422 A CA 2.189 54.291 52.037 0.108 0.000 0.631 2422 A CB -0.724 18.380 19.000 0.173 0.000 0.814 2422 A HN 0.392 nan 8.150 nan 0.000 0.446 2423 D N -0.896 119.477 120.400 -0.046 0.000 2.183 2423 D HA -0.028 4.624 4.640 0.020 0.000 0.203 2423 D C 1.887 178.033 176.300 -0.257 0.000 0.969 2423 D CA 1.034 55.015 54.000 -0.031 0.000 0.842 2423 D CB -0.066 40.822 40.800 0.147 0.000 0.957 2423 D HN 0.218 nan 8.370 nan 0.000 0.484 2424 V N 0.273 119.886 119.914 -0.502 0.000 2.488 2424 V HA -0.144 3.988 4.120 0.020 0.000 0.246 2424 V C 2.179 178.015 176.094 -0.430 0.000 1.046 2424 V CA 1.227 63.135 62.300 -0.654 0.000 1.053 2424 V CB -0.259 31.085 31.823 -0.797 0.000 0.679 2424 V HN 0.222 nan 8.190 nan 0.000 0.458 2425 M N -1.653 117.700 119.600 -0.412 0.000 2.193 2425 M HA 0.046 4.538 4.480 0.020 0.000 0.265 2425 M C 1.797 177.612 176.300 -0.809 0.000 1.071 2425 M CA 2.052 56.975 55.300 -0.627 0.000 1.140 2425 M CB -0.078 32.086 32.600 -0.726 0.000 1.369 2425 M HN 0.344 nan 8.290 nan 0.000 0.423 2426 F N -1.643 118.249 119.950 -0.095 0.000 2.532 2426 F HA 0.356 4.896 4.527 0.021 0.000 0.276 2426 F C 2.384 178.146 175.800 -0.064 0.000 0.911 2426 F CA 0.262 58.231 58.000 -0.052 0.000 1.196 2426 F CB -1.382 37.627 39.000 0.015 0.000 1.087 2426 F HN 0.030 nan 8.300 nan 0.000 0.775 2427 G N 1.260 110.155 108.800 0.158 0.000 2.628 2427 G HA2 -0.251 3.722 3.960 0.020 0.000 0.217 2427 G HA3 -0.251 3.722 3.960 0.020 0.000 0.217 2427 G C 1.711 176.625 174.900 0.023 0.000 1.240 2427 G CA 2.125 47.269 45.100 0.073 0.000 0.792 2427 G HN 0.169 nan 8.290 nan 0.000 0.593 2428 V N 2.348 122.270 119.914 0.014 0.000 2.252 2428 V HA -0.149 3.983 4.120 0.020 0.000 0.249 2428 V C 0.459 176.548 176.094 -0.008 0.000 1.056 2428 V CA 2.467 64.787 62.300 0.032 0.000 1.022 2428 V CB -1.488 30.353 31.823 0.032 0.000 0.641 2428 V HN 0.321 nan 8.190 nan 0.000 0.445 2429 P HA -0.106 nan 4.420 nan 0.000 0.215 2429 P C 2.049 179.302 177.300 -0.078 0.000 1.153 2429 P CA 1.848 64.897 63.100 -0.084 0.000 0.853 2429 P CB -0.103 31.509 31.700 -0.148 0.000 0.788 2430 S N -0.825 114.829 115.700 -0.077 0.000 2.368 2430 S HA -0.111 4.371 4.470 0.020 0.000 0.225 2430 S C 1.979 176.481 174.600 -0.164 0.000 1.030 2430 S CA 1.267 59.393 58.200 -0.123 0.000 0.999 2430 S CB -1.204 61.926 63.200 -0.117 0.000 0.844 2430 S HN -0.051 nan 8.310 nan 0.000 0.459 2431 V N 2.150 121.995 119.914 -0.115 0.000 2.343 2431 V HA -0.161 3.971 4.120 0.020 0.000 0.247 2431 V C 2.055 178.128 176.094 -0.035 0.000 1.051 2431 V CA 1.503 63.743 62.300 -0.099 0.000 1.036 2431 V CB -0.700 31.118 31.823 -0.009 0.000 0.654 2431 V HN 0.450 nan 8.190 nan 0.000 0.451 2432 I N -0.316 120.251 120.570 -0.006 0.000 2.163 2432 I HA -0.223 3.959 4.170 0.020 0.000 0.243 2432 I C 2.417 178.540 176.117 0.010 0.000 1.085 2432 I CA 1.323 62.637 61.300 0.023 0.000 1.347 2432 I CB -0.502 37.511 38.000 0.022 0.000 1.044 2432 I HN 0.149 nan 8.210 nan 0.000 0.408 2433 V N 1.135 121.027 119.914 -0.037 0.000 2.295 2433 V HA -0.321 3.811 4.120 0.020 0.000 0.246 2433 V C 2.764 178.849 176.094 -0.015 0.000 1.049 2433 V CA 2.113 64.395 62.300 -0.031 0.000 1.024 2433 V CB -1.057 30.724 31.823 -0.069 0.000 0.648 2433 V HN 0.511 nan 8.190 nan 0.000 0.447 2434 A N -0.157 122.578 122.820 -0.142 0.000 1.908 2434 A HA -0.261 4.071 4.320 0.020 0.000 0.218 2434 A C 2.362 179.984 177.584 0.063 0.000 1.181 2434 A CA 2.073 53.988 52.037 -0.204 0.000 0.627 2434 A CB -0.535 18.110 19.000 -0.592 0.000 0.818 2434 A HN 0.525 nan 8.150 nan 0.000 0.445 2435 R N -0.560 120.028 120.500 0.146 0.000 2.073 2435 R HA -0.148 4.204 4.340 0.020 0.000 0.234 2435 R C 1.984 178.401 176.300 0.195 0.000 1.134 2435 R CA 1.782 58.041 56.100 0.265 0.000 0.952 2435 R CB -0.458 29.966 30.300 0.207 0.000 0.850 2435 R HN 0.616 nan 8.270 nan 0.000 0.433 2436 N N -0.505 118.292 118.700 0.163 0.000 2.223 2436 N HA -0.165 4.587 4.740 0.020 0.000 0.185 2436 N C 1.598 177.264 175.510 0.260 0.000 1.016 2436 N CA 1.125 54.281 53.050 0.176 0.000 0.863 2436 N CB -0.175 38.398 38.487 0.144 0.000 0.983 2436 N HN 0.287 nan 8.380 nan 0.000 0.429 2437 H N 0.617 119.807 119.070 0.200 0.000 2.389 2437 H HA 0.096 4.665 4.556 0.020 0.000 0.299 2437 H C 2.188 177.646 175.328 0.217 0.000 1.081 2437 H CA 1.383 57.606 56.048 0.291 0.000 1.345 2437 H CB 0.167 30.101 29.762 0.287 0.000 1.393 2437 H HN 0.045 nan 8.280 nan 0.000 0.520 2438 R N 0.318 120.957 120.500 0.233 0.000 2.070 2438 R HA -0.129 4.223 4.340 0.020 0.000 0.232 2438 R C 1.311 177.648 176.300 0.061 0.000 1.138 2438 R CA 1.959 58.146 56.100 0.145 0.000 0.936 2438 R CB -0.233 30.194 30.300 0.212 0.000 0.839 2438 R HN 0.347 nan 8.270 nan 0.000 0.429 2439 D N 0.475 120.924 120.400 0.082 0.000 2.265 2439 D HA -0.135 4.517 4.640 0.020 0.000 0.208 2439 D C 1.443 177.747 176.300 0.007 0.000 0.977 2439 D CA 1.331 55.358 54.000 0.044 0.000 0.871 2439 D CB -0.121 40.716 40.800 0.062 0.000 0.925 2439 D HN 0.435 nan 8.370 nan 0.000 0.485 2440 A N -0.381 122.437 122.820 -0.003 0.000 2.206 2440 A HA 0.342 4.674 4.320 0.020 0.000 0.211 2440 A C 1.841 179.331 177.584 -0.157 0.000 1.158 2440 A CA 1.223 53.200 52.037 -0.100 0.000 0.761 2440 A CB -0.181 18.737 19.000 -0.137 0.000 0.801 2440 A HN 0.271 nan 8.150 nan 0.000 0.473 2441 G N -2.549 106.188 108.800 -0.106 0.000 2.141 2441 G HA2 0.146 4.118 3.960 0.020 0.000 0.231 2441 G HA3 0.146 4.118 3.960 0.020 0.000 0.231 2441 G C 0.266 175.103 174.900 -0.106 0.000 0.984 2441 G CA 0.240 45.284 45.100 -0.094 0.000 0.660 2441 G HN 1.565 nan 8.290 nan 0.000 0.525 2442 A N 0.143 122.861 122.820 -0.171 0.000 2.312 2442 A HA 0.839 5.171 4.320 0.020 0.000 0.328 2442 A C -2.277 175.338 177.584 0.051 0.000 1.158 2442 A CA -1.612 50.348 52.037 -0.128 0.000 0.821 2442 A CB 0.974 19.740 19.000 -0.389 0.000 1.170 2442 A HN 0.063 nan 8.150 nan 0.000 0.490 2443 P HA 0.149 nan 4.420 nan 0.000 0.261 2443 P C -0.522 176.924 177.300 0.243 0.000 1.203 2443 P CA 0.868 64.053 63.100 0.142 0.000 0.767 2443 P CB 0.442 32.263 31.700 0.203 0.000 0.785 2444 T N 3.609 118.195 114.554 0.054 0.000 2.863 2444 T HA 0.562 4.924 4.350 0.020 0.000 0.285 2444 T C -0.866 173.671 174.700 -0.272 0.000 1.009 2444 T CA -0.251 61.892 62.100 0.072 0.000 0.989 2444 T CB 0.797 69.781 68.868 0.193 0.000 1.004 2444 T HN 0.118 nan 8.240 nan 0.000 0.455 2445 Y N 1.008 121.234 120.300 -0.123 0.000 2.524 2445 Y HA 0.686 5.249 4.550 0.021 0.000 0.347 2445 Y C -0.111 175.670 175.900 -0.199 0.000 1.005 2445 Y CA -1.137 56.828 58.100 -0.225 0.000 1.025 2445 Y CB 2.123 40.174 38.460 -0.682 0.000 1.275 2445 Y HN 0.379 nan 8.280 nan 0.000 0.460 2446 M N 3.243 123.010 119.600 0.277 0.000 2.550 2446 M HA 0.504 4.996 4.480 0.020 0.000 0.292 2446 M C -1.722 174.927 176.300 0.583 0.000 1.221 2446 M CA -0.972 54.428 55.300 0.167 0.000 0.873 2446 M CB 3.325 35.836 32.600 -0.148 0.000 1.727 2446 M HN 0.754 nan 8.290 nan 0.000 0.459 2447 Y N -1.320 119.181 120.300 0.335 0.000 2.609 2447 Y HA 0.724 5.287 4.550 0.021 0.000 0.336 2447 Y C -1.614 174.447 175.900 0.268 0.000 1.129 2447 Y CA -0.952 57.331 58.100 0.305 0.000 1.040 2447 Y CB 1.569 40.175 38.460 0.244 0.000 1.310 2447 Y HN 0.710 nan 8.280 nan 0.000 0.460 2448 E N 2.837 123.320 120.200 0.472 0.000 2.220 2448 E HA 0.325 4.687 4.350 0.020 0.000 0.256 2448 E C -2.144 174.732 176.600 0.458 0.000 0.881 2448 E CA -0.856 55.761 56.400 0.362 0.000 0.766 2448 E CB 1.166 31.055 29.700 0.315 0.000 1.187 2448 E HN 0.642 nan 8.360 nan 0.000 0.419 2449 F N 3.866 124.041 119.950 0.375 0.000 2.424 2449 F HA 0.197 4.736 4.527 0.020 0.000 0.356 2449 F C -0.148 175.782 175.800 0.216 0.000 1.110 2449 F CA 0.039 58.216 58.000 0.296 0.000 1.161 2449 F CB 0.969 40.166 39.000 0.327 0.000 1.115 2449 F HN 0.449 nan 8.300 nan 0.000 0.507 2450 Q N 7.203 126.835 119.800 -0.279 0.000 2.891 2450 Q HA 0.256 4.608 4.340 0.020 0.000 0.242 2450 Q C -2.292 173.572 176.000 -0.226 0.000 0.959 2450 Q CA -0.577 55.144 55.803 -0.136 0.000 0.707 2450 Q CB 0.826 29.550 28.738 -0.023 0.000 1.283 2450 Q HN 0.786 nan 8.270 nan 0.000 0.480 2451 Y N 0.940 121.000 120.300 -0.400 0.000 2.521 2451 Y HA 0.358 4.919 4.550 0.019 0.000 0.332 2451 Y C -1.836 174.040 175.900 -0.040 0.000 1.121 2451 Y CA -0.833 57.094 58.100 -0.288 0.000 1.037 2451 Y CB 1.574 39.734 38.460 -0.501 0.000 1.330 2451 Y HN 0.500 nan 8.280 nan 0.000 0.452 2452 R N 7.368 127.543 120.500 -0.541 0.000 2.233 2452 R HA 0.453 4.805 4.340 0.020 0.000 0.334 2452 R C -2.684 173.363 176.300 -0.422 0.000 1.037 2452 R CA -1.943 53.962 56.100 -0.324 0.000 0.920 2452 R CB 0.739 30.859 30.300 -0.299 0.000 1.137 2452 R HN 0.420 nan 8.270 nan 0.000 0.492 2453 P HA -0.027 nan 4.420 nan 0.000 0.269 2453 P C 0.104 177.159 177.300 -0.408 0.000 1.209 2453 P CA 0.023 63.024 63.100 -0.164 0.000 0.776 2453 P CB 1.381 32.997 31.700 -0.139 0.000 0.876 2454 S N 0.800 116.131 115.700 -0.615 0.000 2.561 2454 S HA -0.018 4.464 4.470 0.020 0.000 0.225 2454 S C 1.134 175.364 174.600 -0.616 0.000 0.977 2454 S CA 0.182 58.015 58.200 -0.612 0.000 0.926 2454 S CB -1.051 61.769 63.200 -0.633 0.000 0.769 2454 S HN 0.399 nan 8.310 nan 0.000 0.533 2455 F N 2.430 122.178 119.950 -0.337 0.000 2.731 2455 F HA 0.349 4.890 4.527 0.023 0.000 0.304 2455 F C 1.213 176.797 175.800 -0.361 0.000 1.133 2455 F CA -0.597 57.189 58.000 -0.358 0.000 1.380 2455 F CB -0.306 38.397 39.000 -0.495 0.000 1.079 2455 F HN 0.051 nan 8.300 nan 0.000 0.550 2456 S N -0.084 115.469 115.700 -0.245 0.000 2.589 2456 S HA 0.085 4.567 4.470 0.020 0.000 0.265 2456 S C 0.470 174.972 174.600 -0.162 0.000 1.342 2456 S CA -0.599 57.484 58.200 -0.195 0.000 1.005 2456 S CB 1.049 64.102 63.200 -0.244 0.000 0.909 2456 S HN 0.247 nan 8.310 nan 0.000 0.555 2457 S N 0.544 116.117 115.700 -0.212 0.000 2.584 2457 S HA 0.092 4.574 4.470 0.020 0.000 0.273 2457 S C 1.290 175.711 174.600 -0.299 0.000 1.311 2457 S CA -0.663 57.420 58.200 -0.194 0.000 1.034 2457 S CB 0.408 63.545 63.200 -0.106 0.000 0.939 2457 S HN 0.788 nan 8.310 nan 0.000 0.513 2458 D N 4.447 124.743 120.400 -0.173 0.000 2.149 2458 D HA -0.225 4.427 4.640 0.020 0.000 0.198 2458 D C 1.609 177.791 176.300 -0.196 0.000 0.990 2458 D CA 1.443 55.347 54.000 -0.161 0.000 0.839 2458 D CB -0.304 40.446 40.800 -0.084 0.000 0.948 2458 D HN 0.703 nan 8.370 nan 0.000 0.460 2459 M N 0.043 119.548 119.600 -0.159 0.000 2.539 2459 M HA -0.058 4.434 4.480 0.020 0.000 0.261 2459 M C 1.269 177.363 176.300 -0.343 0.000 1.069 2459 M CA 0.593 55.849 55.300 -0.074 0.000 1.081 2459 M CB -0.268 32.455 32.600 0.204 0.000 1.412 2459 M HN -0.115 nan 8.290 nan 0.000 0.482 2460 K N 3.210 123.087 120.400 -0.871 0.000 2.285 2460 K HA 0.213 4.545 4.320 0.020 0.000 0.286 2460 K C -2.258 173.981 176.600 -0.602 0.000 1.072 2460 K CA -1.813 53.653 56.287 -1.368 0.000 0.913 2460 K CB 0.764 32.244 32.500 -1.700 0.000 1.067 2460 K HN -0.096 nan 8.250 nan 0.000 0.479 2461 P HA -0.062 nan 4.420 nan 0.000 0.262 2461 P C -0.539 176.660 177.300 -0.170 0.000 1.182 2461 P CA 0.269 63.267 63.100 -0.172 0.000 0.761 2461 P CB 0.669 32.339 31.700 -0.049 0.000 0.795 2462 K N 1.320 121.637 120.400 -0.139 0.000 2.280 2462 K HA -0.093 4.239 4.320 0.020 0.000 0.202 2462 K C 1.840 178.380 176.600 -0.099 0.000 1.047 2462 K CA 1.862 58.070 56.287 -0.133 0.000 0.942 2462 K CB -0.595 31.835 32.500 -0.117 0.000 0.739 2462 K HN 0.612 nan 8.250 nan 0.000 0.457 2463 T N -1.150 113.366 114.554 -0.063 0.000 3.035 2463 T HA -0.008 4.354 4.350 0.020 0.000 0.268 2463 T C 0.937 175.625 174.700 -0.019 0.000 1.109 2463 T CA 0.064 62.144 62.100 -0.034 0.000 1.119 2463 T CB -0.316 68.549 68.868 -0.006 0.000 0.900 2463 T HN -0.164 nan 8.240 nan 0.000 0.503 2464 V N 2.569 122.472 119.914 -0.019 0.000 2.479 2464 V HA 0.326 4.458 4.120 0.020 0.000 0.281 2464 V C 0.150 176.245 176.094 0.001 0.000 1.031 2464 V CA -0.141 62.172 62.300 0.021 0.000 1.038 2464 V CB -0.172 31.678 31.823 0.046 0.000 0.981 2464 V HN 0.455 nan 8.190 nan 0.000 0.478 2465 I N 3.719 124.307 120.570 0.029 0.000 2.499 2465 I HA 0.620 4.802 4.170 0.020 0.000 0.288 2465 I C 0.812 176.984 176.117 0.091 0.000 1.048 2465 I CA -0.443 60.866 61.300 0.015 0.000 1.062 2465 I CB 1.850 39.831 38.000 -0.032 0.000 1.238 2465 I HN 0.787 nan 8.210 nan 0.000 0.426 2466 G N 3.596 112.490 108.800 0.156 0.000 2.212 2466 G HA2 -0.232 3.740 3.960 0.020 0.000 0.255 2466 G HA3 -0.232 3.740 3.960 0.020 0.000 0.255 2466 G C -0.195 174.870 174.900 0.275 0.000 1.062 2466 G CA -0.022 45.246 45.100 0.280 0.000 0.815 2466 G HN 0.727 nan 8.290 nan 0.000 0.497 2467 D N -0.626 119.930 120.400 0.260 0.000 2.361 2467 D HA 0.312 4.964 4.640 0.020 0.000 0.239 2467 D C 0.968 177.442 176.300 0.289 0.000 1.200 2467 D CA -0.255 53.905 54.000 0.266 0.000 0.915 2467 D CB 0.302 41.280 40.800 0.297 0.000 1.170 2467 D HN 0.403 nan 8.370 nan 0.000 0.444 2468 H N 0.160 119.321 119.070 0.152 0.000 3.125 2468 H HA 0.256 4.824 4.556 0.020 0.000 0.310 2468 H C 1.361 176.867 175.328 0.296 0.000 0.980 2468 H CA 1.726 57.841 56.048 0.111 0.000 1.422 2468 H CB -0.015 29.768 29.762 0.036 0.000 1.432 2468 H HN 0.602 nan 8.280 nan 0.000 0.577 2469 G N 4.360 113.007 108.800 -0.254 0.000 2.148 2469 G HA2 -0.325 3.647 3.960 0.020 0.000 0.254 2469 G HA3 -0.325 3.647 3.960 0.020 0.000 0.254 2469 G C 1.074 176.016 174.900 0.069 0.000 0.981 2469 G CA 0.533 45.503 45.100 -0.216 0.000 0.670 2469 G HN 0.681 nan 8.290 nan 0.000 0.528 2470 D N 0.646 121.176 120.400 0.216 0.000 2.183 2470 D HA -0.036 4.616 4.640 0.020 0.000 0.203 2470 D C 2.411 178.797 176.300 0.144 0.000 0.969 2470 D CA 1.257 55.502 54.000 0.407 0.000 0.842 2470 D CB -0.044 41.056 40.800 0.500 0.000 0.957 2470 D HN 0.688 nan 8.370 nan 0.000 0.484 2471 E N 1.378 121.289 120.200 -0.482 0.000 2.338 2471 E HA -0.136 4.226 4.350 0.020 0.000 0.197 2471 E C 2.164 178.445 176.600 -0.531 0.000 1.007 2471 E CA 0.250 55.944 56.400 -1.177 0.000 0.849 2471 E CB -0.714 28.264 29.700 -1.204 0.000 0.774 2471 E HN 0.328 nan 8.360 nan 0.000 0.506 2472 L N -0.241 120.781 121.223 -0.334 0.000 2.042 2472 L HA -0.159 4.193 4.340 0.020 0.000 0.210 2472 L C 2.507 179.195 176.870 -0.303 0.000 1.076 2472 L CA 1.585 56.218 54.840 -0.345 0.000 0.749 2472 L CB -0.688 41.053 42.059 -0.530 0.000 0.893 2472 L HN 0.019 nan 8.230 nan 0.000 0.432 2473 F N -0.526 119.404 119.950 -0.033 0.000 2.269 2473 F HA -0.169 4.367 4.527 0.016 0.000 0.301 2473 F C 2.614 178.416 175.800 0.004 0.000 1.082 2473 F CA 1.137 59.160 58.000 0.038 0.000 1.360 2473 F CB -0.553 38.592 39.000 0.242 0.000 1.041 2473 F HN -0.019 nan 8.300 nan 0.000 0.512 2474 S N -0.335 115.398 115.700 0.055 0.000 2.388 2474 S HA -0.065 4.417 4.470 0.020 0.000 0.223 2474 S C 2.278 176.724 174.600 -0.258 0.000 1.034 2474 S CA 0.792 58.954 58.200 -0.064 0.000 0.963 2474 S CB -0.394 62.748 63.200 -0.097 0.000 0.827 2474 S HN 0.110 nan 8.310 nan 0.000 0.481 2475 V N 0.898 120.526 119.914 -0.477 0.000 2.343 2475 V HA -0.113 4.019 4.120 0.020 0.000 0.247 2475 V C 1.382 177.114 176.094 -0.603 0.000 1.051 2475 V CA 1.622 63.489 62.300 -0.722 0.000 1.036 2475 V CB -0.678 30.604 31.823 -0.902 0.000 0.654 2475 V HN 0.466 nan 8.190 nan 0.000 0.451 2476 F N 0.501 120.273 119.950 -0.296 0.000 2.664 2476 F HA 0.437 4.976 4.527 0.021 0.000 0.301 2476 F C 1.687 177.400 175.800 -0.145 0.000 1.126 2476 F CA 0.477 58.329 58.000 -0.247 0.000 1.373 2476 F CB -0.319 38.483 39.000 -0.330 0.000 1.042 2476 F HN 0.259 nan 8.300 nan 0.000 0.535 2477 G N 0.896 109.718 108.800 0.037 0.000 2.341 2477 G HA2 -0.346 3.626 3.960 0.020 0.000 0.292 2477 G HA3 -0.346 3.626 3.960 0.020 0.000 0.292 2477 G C 1.334 176.353 174.900 0.199 0.000 1.021 2477 G CA 0.345 45.571 45.100 0.210 0.000 0.905 2477 G HN 0.585 nan 8.290 nan 0.000 0.508 2478 A N 0.104 122.958 122.820 0.057 0.000 1.958 2478 A HA 0.006 4.338 4.320 0.020 0.000 0.221 2478 A C 0.593 178.043 177.584 -0.223 0.000 1.178 2478 A CA 2.194 54.145 52.037 -0.144 0.000 0.642 2478 A CB -0.780 18.104 19.000 -0.193 0.000 0.816 2478 A HN 0.488 nan 8.150 nan 0.000 0.453 2479 P HA -0.033 nan 4.420 nan 0.000 0.234 2479 P C 0.255 177.262 177.300 -0.488 0.000 1.167 2479 P CA 0.758 63.749 63.100 -0.182 0.000 0.763 2479 P CB -0.122 31.383 31.700 -0.324 0.000 0.835 2480 F N -2.612 117.362 119.950 0.040 0.000 2.682 2480 F HA 0.271 4.807 4.527 0.015 0.000 0.308 2480 F C 1.555 177.392 175.800 0.061 0.000 1.093 2480 F CA 0.165 58.214 58.000 0.081 0.000 1.244 2480 F CB 0.008 39.083 39.000 0.124 0.000 1.052 2480 F HN -0.190 nan 8.300 nan 0.000 0.573 2481 L N -1.665 119.621 121.223 0.105 0.000 2.713 2481 L HA 0.249 4.601 4.340 0.020 0.000 0.223 2481 L C 0.896 177.761 176.870 -0.009 0.000 1.040 2481 L CA 0.036 54.907 54.840 0.052 0.000 0.894 2481 L CB 0.035 42.101 42.059 0.011 0.000 1.361 2481 L HN -0.242 nan 8.230 nan 0.000 0.490 2482 K N 0.891 121.236 120.400 -0.093 0.000 2.155 2482 K HA 0.349 4.681 4.320 0.020 0.000 0.237 2482 K C -0.483 176.148 176.600 0.051 0.000 1.040 2482 K CA -0.335 55.900 56.287 -0.086 0.000 0.912 2482 K CB 0.815 33.107 32.500 -0.346 0.000 1.137 2482 K HN -0.000 nan 8.250 nan 0.000 0.498 2483 E N -1.215 119.058 120.200 0.121 0.000 2.263 2483 E HA 0.355 4.717 4.350 0.020 0.000 0.264 2483 E C -0.003 176.696 176.600 0.166 0.000 0.923 2483 E CA -0.470 56.003 56.400 0.122 0.000 0.802 2483 E CB 1.704 31.447 29.700 0.070 0.000 1.228 2483 E HN 0.763 nan 8.360 nan 0.000 0.417 2484 G N 0.402 109.250 108.800 0.080 0.000 2.141 2484 G HA2 -0.249 3.723 3.960 0.020 0.000 0.242 2484 G HA3 -0.249 3.723 3.960 0.020 0.000 0.242 2484 G C 0.139 175.014 174.900 -0.041 0.000 0.982 2484 G CA -0.039 45.071 45.100 0.016 0.000 0.662 2484 G HN 0.677 nan 8.290 nan 0.000 0.527 2485 A N 0.568 123.392 122.820 0.007 0.000 2.362 2485 A HA 0.746 5.078 4.320 0.020 0.000 0.276 2485 A C 0.996 178.539 177.584 -0.069 0.000 1.153 2485 A CA 0.878 52.879 52.037 -0.059 0.000 0.813 2485 A CB 0.403 19.423 19.000 0.033 0.000 1.081 2485 A HN 1.958 nan 8.150 nan 0.000 0.507 2486 S N 1.493 117.142 115.700 -0.084 0.000 2.624 2486 S HA 0.192 4.674 4.470 0.020 0.000 0.263 2486 S C 0.916 175.491 174.600 -0.042 0.000 1.287 2486 S CA 0.350 58.517 58.200 -0.054 0.000 0.990 2486 S CB 0.859 64.030 63.200 -0.048 0.000 0.950 2486 S HN 0.744 nan 8.310 nan 0.000 0.561 2487 E N 0.580 120.764 120.200 -0.026 0.000 2.160 2487 E HA -0.205 4.157 4.350 0.020 0.000 0.195 2487 E C 1.853 178.442 176.600 -0.018 0.000 0.991 2487 E CA 1.929 58.319 56.400 -0.017 0.000 0.810 2487 E CB -0.317 29.380 29.700 -0.005 0.000 0.742 2487 E HN 0.862 nan 8.360 nan 0.000 0.466 2488 E N 0.150 120.343 120.200 -0.012 0.000 2.047 2488 E HA -0.229 4.133 4.350 0.020 0.000 0.191 2488 E C 2.037 178.613 176.600 -0.040 0.000 0.987 2488 E CA 1.209 57.605 56.400 -0.008 0.000 0.799 2488 E CB -0.202 29.518 29.700 0.034 0.000 0.752 2488 E HN 0.376 nan 8.360 nan 0.000 0.449 2489 E N 0.204 120.395 120.200 -0.016 0.000 2.110 2489 E HA -0.159 4.203 4.350 0.020 0.000 0.193 2489 E C 2.155 178.704 176.600 -0.084 0.000 0.988 2489 E CA 1.080 57.454 56.400 -0.043 0.000 0.804 2489 E CB -0.023 29.675 29.700 -0.002 0.000 0.745 2489 E HN 0.390 nan 8.360 nan 0.000 0.458 2490 I N 0.184 120.695 120.570 -0.097 0.000 2.252 2490 I HA -0.238 3.944 4.170 0.020 0.000 0.245 2490 I C 2.612 178.720 176.117 -0.015 0.000 1.102 2490 I CA 0.816 62.028 61.300 -0.146 0.000 1.385 2490 I CB -0.132 37.784 38.000 -0.139 0.000 1.064 2490 I HN 0.014 nan 8.210 nan 0.000 0.414 2491 R N 0.992 121.482 120.500 -0.017 0.000 2.092 2491 R HA -0.162 4.190 4.340 0.020 0.000 0.231 2491 R C 2.123 178.399 176.300 -0.040 0.000 1.119 2491 R CA 1.306 57.404 56.100 -0.004 0.000 0.970 2491 R CB -0.550 29.739 30.300 -0.019 0.000 0.864 2491 R HN 0.204 nan 8.270 nan 0.000 0.440 2492 L N -0.109 121.053 121.223 -0.102 0.000 2.017 2492 L HA -0.090 4.262 4.340 0.020 0.000 0.208 2492 L C 2.203 179.024 176.870 -0.082 0.000 1.073 2492 L CA 2.253 57.001 54.840 -0.153 0.000 0.745 2492 L CB -1.054 40.790 42.059 -0.358 0.000 0.894 2492 L HN 0.259 nan 8.230 nan 0.000 0.432 2493 S N -1.022 114.656 115.700 -0.037 0.000 2.368 2493 S HA -0.196 4.286 4.470 0.020 0.000 0.224 2493 S C 2.067 176.679 174.600 0.019 0.000 1.029 2493 S CA 1.321 59.528 58.200 0.011 0.000 0.988 2493 S CB -0.199 63.061 63.200 0.099 0.000 0.838 2493 S HN 0.506 nan 8.310 nan 0.000 0.462 2494 K N 0.549 120.997 120.400 0.080 0.000 2.032 2494 K HA -0.120 4.212 4.320 0.020 0.000 0.209 2494 K C 2.337 178.909 176.600 -0.047 0.000 1.048 2494 K CA 1.686 57.994 56.287 0.036 0.000 0.927 2494 K CB -0.336 32.226 32.500 0.103 0.000 0.712 2494 K HN 0.478 nan 8.250 nan 0.000 0.441 2495 M N 1.012 120.563 119.600 -0.082 0.000 2.086 2495 M HA -0.172 4.320 4.480 0.020 0.000 0.261 2495 M C 2.023 178.220 176.300 -0.171 0.000 1.067 2495 M CA 1.574 56.755 55.300 -0.199 0.000 1.116 2495 M CB -0.036 32.452 32.600 -0.186 0.000 1.348 2495 M HN -0.066 nan 8.290 nan 0.000 0.407 2496 V N 1.266 121.147 119.914 -0.056 0.000 2.332 2496 V HA -0.341 3.791 4.120 0.020 0.000 0.248 2496 V C 2.489 178.569 176.094 -0.024 0.000 1.055 2496 V CA 2.192 64.475 62.300 -0.028 0.000 1.038 2496 V CB -0.698 30.948 31.823 -0.295 0.000 0.651 2496 V HN 0.578 nan 8.190 nan 0.000 0.450 2497 M N -0.965 118.573 119.600 -0.103 0.000 2.159 2497 M HA -0.191 4.301 4.480 0.020 0.000 0.263 2497 M C 2.307 178.653 176.300 0.076 0.000 1.063 2497 M CA 1.750 57.013 55.300 -0.062 0.000 1.110 2497 M CB -0.543 31.989 32.600 -0.114 0.000 1.374 2497 M HN 0.243 nan 8.290 nan 0.000 0.411 2498 K N 0.046 120.466 120.400 0.034 0.000 2.057 2498 K HA -0.093 4.239 4.320 0.020 0.000 0.207 2498 K C 1.849 178.564 176.600 0.191 0.000 1.049 2498 K CA 1.425 57.737 56.287 0.042 0.000 0.931 2498 K CB -0.232 32.216 32.500 -0.087 0.000 0.714 2498 K HN 0.281 nan 8.250 nan 0.000 0.440 2499 F N -0.128 119.970 119.950 0.247 0.000 2.069 2499 F HA -0.268 4.271 4.527 0.020 0.000 0.298 2499 F C 2.465 178.452 175.800 0.312 0.000 1.113 2499 F CA 0.710 58.913 58.000 0.339 0.000 1.214 2499 F CB -0.183 39.168 39.000 0.586 0.000 0.978 2499 F HN 0.250 nan 8.300 nan 0.000 0.474 2500 W N 0.144 121.554 121.300 0.183 0.000 2.355 2500 W HA -0.238 4.436 4.660 0.022 0.000 0.309 2500 W C 2.636 179.159 176.519 0.007 0.000 1.206 2500 W CA 1.045 58.403 57.345 0.020 0.000 1.284 2500 W CB -0.632 28.764 29.460 -0.106 0.000 1.145 2500 W HN 0.001 nan 8.180 nan 0.000 0.502 2501 A N 0.570 123.528 122.820 0.230 0.000 1.933 2501 A HA -0.223 4.109 4.320 0.020 0.000 0.218 2501 A C 1.735 179.374 177.584 0.092 0.000 1.175 2501 A CA 1.812 53.912 52.037 0.105 0.000 0.628 2501 A CB -1.002 18.046 19.000 0.080 0.000 0.814 2501 A HN 0.250 nan 8.150 nan 0.000 0.444 2502 N N -0.890 117.892 118.700 0.137 0.000 2.120 2502 N HA -0.141 4.611 4.740 0.020 0.000 0.188 2502 N C 1.412 176.960 175.510 0.063 0.000 1.024 2502 N CA 1.447 54.560 53.050 0.106 0.000 0.852 2502 N CB -0.618 37.966 38.487 0.161 0.000 1.003 2502 N HN 0.504 nan 8.380 nan 0.000 0.424 2503 F N 1.778 121.658 119.950 -0.116 0.000 2.161 2503 F HA -0.104 4.435 4.527 0.019 0.000 0.300 2503 F C 2.145 177.857 175.800 -0.147 0.000 1.089 2503 F CA 1.101 58.960 58.000 -0.235 0.000 1.282 2503 F CB -0.391 38.361 39.000 -0.413 0.000 1.010 2503 F HN 0.031 nan 8.300 nan 0.000 0.485 2504 A N 1.118 123.883 122.820 -0.092 0.000 1.873 2504 A HA -0.182 4.150 4.320 0.020 0.000 0.215 2504 A C 2.265 179.773 177.584 -0.128 0.000 1.186 2504 A CA 1.769 53.725 52.037 -0.136 0.000 0.616 2504 A CB -0.645 18.322 19.000 -0.056 0.000 0.823 2504 A HN 0.538 nan 8.150 nan 0.000 0.442 2505 R N -1.025 119.430 120.500 -0.075 0.000 2.200 2505 R HA 0.135 4.487 4.340 0.020 0.000 0.208 2505 R C 0.632 176.882 176.300 -0.084 0.000 1.033 2505 R CA 1.186 57.250 56.100 -0.060 0.000 1.000 2505 R CB -0.142 30.147 30.300 -0.018 0.000 0.906 2505 R HN 0.404 nan 8.270 nan 0.000 0.462 2506 N N -0.351 118.283 118.700 -0.109 0.000 2.193 2506 N HA 0.084 4.836 4.740 0.020 0.000 0.210 2506 N C 0.700 176.117 175.510 -0.156 0.000 1.215 2506 N CA 0.828 53.820 53.050 -0.097 0.000 0.901 2506 N CB 1.666 40.133 38.487 -0.034 0.000 1.060 2506 N HN 0.391 nan 8.380 nan 0.000 0.508 2507 G N 1.639 110.229 108.800 -0.351 0.000 2.143 2507 G HA2 -0.258 3.714 3.960 0.020 0.000 0.248 2507 G HA3 -0.258 3.714 3.960 0.020 0.000 0.248 2507 G C -0.128 174.669 174.900 -0.171 0.000 0.991 2507 G CA 0.310 45.111 45.100 -0.499 0.000 0.689 2507 G HN 0.455 nan 8.290 nan 0.000 0.522 2508 N N -0.525 118.117 118.700 -0.096 0.000 2.425 2508 N HA 0.380 5.132 4.740 0.020 0.000 0.289 2508 N C -1.793 173.632 175.510 -0.142 0.000 1.074 2508 N CA -1.262 51.732 53.050 -0.094 0.000 0.905 2508 N CB 2.341 40.855 38.487 0.045 0.000 1.586 2508 N HN -0.061 nan 8.380 nan 0.000 0.490 2509 P HA -0.037 nan 4.420 nan 0.000 0.225 2509 P C -0.163 177.271 177.300 0.223 0.000 1.156 2509 P CA 0.434 63.424 63.100 -0.184 0.000 0.787 2509 P CB 0.342 31.569 31.700 -0.789 0.000 0.802 2510 N N 0.860 119.646 118.700 0.145 0.000 2.374 2510 N HA 0.256 5.008 4.740 0.020 0.000 0.241 2510 N C 0.871 176.533 175.510 0.253 0.000 1.262 2510 N CA 1.113 54.349 53.050 0.310 0.000 0.880 2510 N CB 0.346 38.991 38.487 0.264 0.000 1.105 2510 N HN 0.132 nan 8.380 nan 0.000 0.438 2511 G N -0.305 108.642 108.800 0.246 0.000 2.616 2511 G HA2 0.242 4.214 3.960 0.020 0.000 0.294 2511 G HA3 0.242 4.214 3.960 0.020 0.000 0.294 2511 G C -1.238 173.733 174.900 0.120 0.000 1.489 2511 G CA -0.793 44.395 45.100 0.148 0.000 0.836 2511 G HN 0.603 nan 8.290 nan 0.000 0.527 2512 E N -0.238 120.014 120.200 0.087 0.000 2.465 2512 E HA 0.387 4.749 4.350 0.020 0.000 0.260 2512 E C 1.171 177.799 176.600 0.046 0.000 0.980 2512 E CA 0.541 56.983 56.400 0.069 0.000 0.927 2512 E CB 0.709 30.440 29.700 0.052 0.000 0.934 2512 E HN 2.055 nan 8.360 nan 0.000 0.459 2513 G N 2.935 111.763 108.800 0.048 0.000 2.194 2513 G HA2 -0.254 3.718 3.960 0.020 0.000 0.236 2513 G HA3 -0.254 3.718 3.960 0.020 0.000 0.236 2513 G C -0.003 174.899 174.900 0.004 0.000 0.987 2513 G CA 0.095 45.209 45.100 0.022 0.000 0.635 2513 G HN 0.461 nan 8.290 nan 0.000 0.520 2514 L N 2.208 123.444 121.223 0.023 0.000 2.325 2514 L HA 0.532 4.884 4.340 0.020 0.000 0.278 2514 L C -1.590 175.388 176.870 0.180 0.000 1.023 2514 L CA -2.354 52.479 54.840 -0.011 0.000 0.811 2514 L CB 1.568 43.509 42.059 -0.196 0.000 1.249 2514 L HN -0.074 nan 8.230 nan 0.000 0.431 2515 P HA -0.061 nan 4.420 nan 0.000 0.266 2515 P C -0.747 176.778 177.300 0.376 0.000 1.195 2515 P CA -0.067 63.187 63.100 0.256 0.000 0.768 2515 P CB 0.321 32.135 31.700 0.190 0.000 0.838 2516 H N 2.699 121.896 119.070 0.212 0.000 2.964 2516 H HA 0.050 4.618 4.556 0.020 0.000 0.328 2516 H C -0.837 174.640 175.328 0.248 0.000 1.030 2516 H CA 0.420 56.608 56.048 0.234 0.000 1.445 2516 H CB 0.099 29.961 29.762 0.166 0.000 1.449 2516 H HN 0.389 nan 8.280 nan 0.000 0.581 2517 W N 9.587 130.568 121.300 -0.532 0.000 2.278 2517 W HA 0.299 4.971 4.660 0.019 0.000 0.317 2517 W C -2.717 173.522 176.519 -0.466 0.000 1.030 2517 W CA -3.152 53.947 57.345 -0.410 0.000 1.334 2517 W CB 0.945 30.153 29.460 -0.419 0.000 1.215 2517 W HN 0.574 nan 8.180 nan 0.000 0.405 2518 P HA 0.047 nan 4.420 nan 0.000 0.275 2518 P C -0.250 177.221 177.300 0.285 0.000 1.227 2518 P CA 0.129 63.351 63.100 0.203 0.000 0.781 2518 P CB 1.433 33.267 31.700 0.223 0.000 0.906 2519 E N 2.300 122.559 120.200 0.097 0.000 2.398 2519 E HA -0.050 4.312 4.350 0.020 0.000 0.263 2519 E C -0.970 175.579 176.600 -0.085 0.000 1.046 2519 E CA -0.449 55.779 56.400 -0.287 0.000 0.908 2519 E CB 0.232 29.768 29.700 -0.272 0.000 0.963 2519 E HN 0.401 nan 8.360 nan 0.000 0.431 2520 Y N 5.881 126.019 120.300 -0.271 0.000 2.632 2520 Y HA 0.085 4.647 4.550 0.020 0.000 0.336 2520 Y C -0.300 175.562 175.900 -0.064 0.000 1.237 2520 Y CA -0.406 57.650 58.100 -0.075 0.000 1.595 2520 Y CB -0.543 37.888 38.460 -0.048 0.000 1.508 2520 Y HN 0.505 nan 8.280 nan 0.000 0.480 2521 N N 0.424 119.007 118.700 -0.196 0.000 2.948 2521 N HA 0.099 4.851 4.740 0.020 0.000 0.323 2521 N C 0.805 176.171 175.510 -0.241 0.000 1.374 2521 N CA -0.244 52.713 53.050 -0.154 0.000 0.765 2521 N CB 0.071 38.511 38.487 -0.078 0.000 1.152 2521 N HN 0.216 nan 8.380 nan 0.000 0.528 2522 Q N 0.036 119.756 119.800 -0.134 0.000 2.170 2522 Q HA -0.013 4.339 4.340 0.020 0.000 0.203 2522 Q C 1.285 177.206 176.000 -0.132 0.000 0.976 2522 Q CA 1.440 57.173 55.803 -0.117 0.000 0.858 2522 Q CB -0.444 28.259 28.738 -0.057 0.000 0.907 2522 Q HN 0.612 nan 8.270 nan 0.000 0.433 2523 K N 0.738 121.070 120.400 -0.112 0.000 2.439 2523 K HA -0.061 4.271 4.320 0.020 0.000 0.197 2523 K C -0.041 176.488 176.600 -0.118 0.000 1.041 2523 K CA 0.130 56.372 56.287 -0.075 0.000 0.970 2523 K CB 0.128 32.613 32.500 -0.025 0.000 0.773 2523 K HN 0.242 nan 8.250 nan 0.000 0.479 2524 E N -0.046 119.969 120.200 -0.308 0.000 2.320 2524 E HA -0.151 4.211 4.350 0.020 0.000 0.234 2524 E C -0.033 176.522 176.600 -0.075 0.000 1.183 2524 E CA 0.119 56.176 56.400 -0.571 0.000 0.713 2524 E CB -1.686 27.782 29.700 -0.386 0.000 1.226 2524 E HN 0.510 nan 8.360 nan 0.000 0.382 2525 G N 0.717 109.537 108.800 0.034 0.000 2.432 2525 G HA2 0.416 4.388 3.960 0.020 0.000 0.257 2525 G HA3 0.416 4.388 3.960 0.020 0.000 0.257 2525 G C -0.271 174.917 174.900 0.479 0.000 1.238 2525 G CA -0.002 45.237 45.100 0.233 0.000 0.838 2525 G HN 0.319 nan 8.290 nan 0.000 0.547 2526 Y N -0.091 120.355 120.300 0.242 0.000 2.715 2526 Y HA 0.758 5.320 4.550 0.020 0.000 0.331 2526 Y C -1.417 174.525 175.900 0.069 0.000 1.197 2526 Y CA -1.848 56.422 58.100 0.282 0.000 1.079 2526 Y CB 1.791 40.406 38.460 0.259 0.000 1.298 2526 Y HN 0.541 nan 8.280 nan 0.000 0.477 2527 L N 2.239 123.397 121.223 -0.109 0.000 2.333 2527 L HA 0.461 4.813 4.340 0.020 0.000 0.280 2527 L C -1.106 175.612 176.870 -0.253 0.000 1.004 2527 L CA -0.622 53.900 54.840 -0.529 0.000 0.820 2527 L CB 1.944 43.137 42.059 -1.442 0.000 1.247 2527 L HN 0.746 nan 8.230 nan 0.000 0.416 2528 Q N 6.269 125.915 119.800 -0.256 0.000 2.349 2528 Q HA 0.457 4.809 4.340 0.020 0.000 0.254 2528 Q C -0.974 174.971 176.000 -0.092 0.000 0.980 2528 Q CA -0.133 55.625 55.803 -0.074 0.000 0.924 2528 Q CB 1.492 30.176 28.738 -0.090 0.000 1.209 2528 Q HN 0.585 nan 8.270 nan 0.000 0.445 2529 I N 2.082 122.635 120.570 -0.028 0.000 2.321 2529 I HA 0.646 4.828 4.170 0.020 0.000 0.291 2529 I C 0.623 176.597 176.117 -0.238 0.000 0.998 2529 I CA -0.282 60.975 61.300 -0.071 0.000 1.227 2529 I CB 1.298 39.347 38.000 0.082 0.000 1.368 2529 I HN 0.764 nan 8.210 nan 0.000 0.466 2530 G N 3.315 111.987 108.800 -0.214 0.000 2.364 2530 G HA2 0.375 4.347 3.960 0.020 0.000 0.286 2530 G HA3 0.375 4.347 3.960 0.020 0.000 0.286 2530 G C 0.341 175.162 174.900 -0.132 0.000 1.241 2530 G CA 0.043 45.001 45.100 -0.238 0.000 0.887 2530 G HN 0.531 nan 8.290 nan 0.000 0.484 2531 A N -0.515 122.318 122.820 0.023 0.000 1.927 2531 A HA -0.040 4.292 4.320 0.020 0.000 0.220 2531 A C 1.162 178.738 177.584 -0.012 0.000 1.185 2531 A CA 2.129 54.191 52.037 0.042 0.000 0.639 2531 A CB -0.566 18.497 19.000 0.105 0.000 0.820 2531 A HN 0.768 nan 8.150 nan 0.000 0.451 2532 N N -0.208 118.480 118.700 -0.019 0.000 2.626 2532 N HA 0.246 4.998 4.740 0.020 0.000 0.249 2532 N C -1.388 174.098 175.510 -0.039 0.000 1.021 2532 N CA -0.241 52.795 53.050 -0.023 0.000 0.886 2532 N CB 0.685 39.164 38.487 -0.015 0.000 1.149 2532 N HN 0.075 nan 8.380 nan 0.000 0.517 2533 T N 3.415 117.946 114.554 -0.038 0.000 2.729 2533 T HA 0.177 4.539 4.350 0.020 0.000 0.296 2533 T C -0.409 174.266 174.700 -0.043 0.000 0.928 2533 T CA -0.135 61.938 62.100 -0.046 0.000 1.045 2533 T CB 0.773 69.637 68.868 -0.006 0.000 0.902 2533 T HN 0.612 nan 8.240 nan 0.000 0.500 2534 Q N 1.679 121.426 119.800 -0.088 0.000 2.482 2534 Q HA 0.751 5.103 4.340 0.020 0.000 0.286 2534 Q C -1.406 174.493 176.000 -0.169 0.000 1.007 2534 Q CA -1.386 54.365 55.803 -0.086 0.000 0.801 2534 Q CB 1.621 30.327 28.738 -0.053 0.000 1.455 2534 Q HN 0.543 nan 8.270 nan 0.000 0.398 2535 A N 0.708 123.447 122.820 -0.136 0.000 2.371 2535 A HA 0.779 5.111 4.320 0.020 0.000 0.257 2535 A C -0.389 177.050 177.584 -0.243 0.000 1.089 2535 A CA 0.484 52.406 52.037 -0.193 0.000 0.794 2535 A CB 0.508 19.482 19.000 -0.043 0.000 1.029 2535 A HN 0.971 nan 8.150 nan 0.000 0.488 2536 A N 1.115 123.670 122.820 -0.443 0.000 2.566 2536 A HA 0.823 5.155 4.320 0.020 0.000 0.291 2536 A C -0.752 176.710 177.584 -0.202 0.000 1.278 2536 A CA -0.571 51.231 52.037 -0.392 0.000 0.711 2536 A CB 1.061 19.699 19.000 -0.603 0.000 1.332 2536 A HN 0.827 nan 8.150 nan 0.000 0.478 2537 Q N -0.313 119.559 119.800 0.120 0.000 2.377 2537 Q HA 0.493 4.845 4.340 0.020 0.000 0.279 2537 Q C -1.614 174.620 176.000 0.390 0.000 1.049 2537 Q CA -0.922 55.063 55.803 0.303 0.000 0.825 2537 Q CB 2.167 30.985 28.738 0.133 0.000 1.401 2537 Q HN 0.641 nan 8.270 nan 0.000 0.404 2538 K N 1.243 121.818 120.400 0.291 0.000 3.939 2538 K HA -0.206 4.126 4.320 0.020 0.000 0.281 2538 K C -0.729 175.928 176.600 0.094 0.000 0.981 2538 K CA -0.021 56.361 56.287 0.158 0.000 0.833 2538 K CB -1.096 31.468 32.500 0.107 0.000 1.501 2538 K HN 0.456 nan 8.250 nan 0.000 0.445 2539 L N 2.081 123.229 121.223 -0.124 0.000 2.455 2539 L HA 0.035 4.387 4.340 0.020 0.000 0.272 2539 L C 0.900 177.707 176.870 -0.104 0.000 1.174 2539 L CA 0.679 55.291 54.840 -0.381 0.000 0.869 2539 L CB 0.505 42.024 42.059 -0.900 0.000 1.130 2539 L HN 0.378 nan 8.230 nan 0.000 0.474 2540 K N 2.297 122.676 120.400 -0.034 0.000 3.377 2540 K HA -0.347 3.985 4.320 0.020 0.000 0.314 2540 K C 1.296 177.945 176.600 0.083 0.000 1.246 2540 K CA 1.455 57.771 56.287 0.048 0.000 0.961 2540 K CB -1.800 30.732 32.500 0.053 0.000 1.233 2540 K HN 1.024 nan 8.250 nan 0.000 0.428 2541 D N 1.003 121.444 120.400 0.068 0.000 2.242 2541 D HA -0.253 4.399 4.640 0.020 0.000 0.190 2541 D C 1.404 177.759 176.300 0.092 0.000 1.012 2541 D CA 2.268 56.318 54.000 0.083 0.000 0.875 2541 D CB 0.169 41.013 40.800 0.073 0.000 0.922 2541 D HN 0.563 nan 8.370 nan 0.000 0.448 2542 K N -0.191 120.256 120.400 0.080 0.000 2.062 2542 K HA -0.110 4.222 4.320 0.020 0.000 0.205 2542 K C 2.294 178.963 176.600 0.115 0.000 1.051 2542 K CA 1.070 57.400 56.287 0.071 0.000 0.941 2542 K CB -0.006 32.508 32.500 0.024 0.000 0.719 2542 K HN 0.068 nan 8.250 nan 0.000 0.440 2543 E N 0.630 120.924 120.200 0.156 0.000 2.077 2543 E HA -0.143 4.219 4.350 0.020 0.000 0.193 2543 E C 1.953 178.810 176.600 0.428 0.000 0.989 2543 E CA 0.858 57.443 56.400 0.309 0.000 0.800 2543 E CB -0.267 29.663 29.700 0.384 0.000 0.746 2543 E HN -0.020 nan 8.360 nan 0.000 0.452 2544 V N 0.957 121.046 119.914 0.292 0.000 2.287 2544 V HA -0.318 3.814 4.120 0.020 0.000 0.248 2544 V C 2.191 178.425 176.094 0.233 0.000 1.053 2544 V CA 1.904 64.362 62.300 0.263 0.000 1.027 2544 V CB -0.876 31.047 31.823 0.167 0.000 0.646 2544 V HN 0.376 nan 8.190 nan 0.000 0.447 2545 A N -0.379 122.545 122.820 0.174 0.000 1.865 2545 A HA -0.269 4.063 4.320 0.020 0.000 0.217 2545 A C 2.123 179.769 177.584 0.103 0.000 1.191 2545 A CA 2.216 54.326 52.037 0.121 0.000 0.623 2545 A CB -0.831 18.225 19.000 0.094 0.000 0.826 2545 A HN 0.523 nan 8.150 nan 0.000 0.444 2546 F N -0.733 119.189 119.950 -0.047 0.000 2.043 2546 F HA -0.242 4.297 4.527 0.020 0.000 0.297 2546 F C 2.063 177.724 175.800 -0.232 0.000 1.121 2546 F CA 2.091 59.972 58.000 -0.199 0.000 1.199 2546 F CB -0.626 38.156 39.000 -0.362 0.000 0.968 2546 F HN 0.405 nan 8.300 nan 0.000 0.478 2547 W N 0.346 121.633 121.300 -0.020 0.000 2.355 2547 W HA -0.151 4.521 4.660 0.021 0.000 0.309 2547 W C 2.656 179.082 176.519 -0.155 0.000 1.206 2547 W CA 1.724 58.936 57.345 -0.222 0.000 1.284 2547 W CB -1.191 28.260 29.460 -0.015 0.000 1.145 2547 W HN -0.136 nan 8.180 nan 0.000 0.502 2548 T N 0.223 114.910 114.554 0.221 0.000 2.699 2548 T HA -0.314 4.048 4.350 0.020 0.000 0.268 2548 T C 1.405 176.154 174.700 0.081 0.000 1.036 2548 T CA 1.915 64.125 62.100 0.184 0.000 1.147 2548 T CB -0.630 68.319 68.868 0.135 0.000 0.862 2548 T HN 0.170 nan 8.240 nan 0.000 0.446 2549 N N 0.800 119.474 118.700 -0.043 0.000 2.039 2549 N HA -0.067 4.685 4.740 0.020 0.000 0.193 2549 N C 1.750 177.167 175.510 -0.155 0.000 1.044 2549 N CA 1.095 54.083 53.050 -0.103 0.000 0.847 2549 N CB -0.609 37.782 38.487 -0.161 0.000 1.030 2549 N HN 0.234 nan 8.380 nan 0.000 0.422 2550 L N 0.144 121.147 121.223 -0.367 0.000 1.951 2550 L HA -0.137 4.215 4.340 0.020 0.000 0.222 2550 L C 2.002 178.818 176.870 -0.090 0.000 1.078 2550 L CA 1.868 56.480 54.840 -0.380 0.000 0.778 2550 L CB -1.283 40.336 42.059 -0.734 0.000 0.893 2550 L HN 0.330 nan 8.230 nan 0.000 0.436 2551 F N 0.049 120.006 119.950 0.012 0.000 2.176 2551 F HA -0.269 4.270 4.527 0.020 0.000 0.301 2551 F C 1.907 177.720 175.800 0.022 0.000 1.071 2551 F CA 0.416 58.448 58.000 0.054 0.000 1.289 2551 F CB -0.529 38.517 39.000 0.077 0.000 1.028 2551 F HN 0.317 nan 8.300 nan 0.000 0.494 2552 A N 0.960 123.892 122.820 0.186 0.000 2.958 2552 A HA 0.211 4.543 4.320 0.020 0.000 0.247 2552 A C 0.162 177.783 177.584 0.061 0.000 1.679 2552 A CA 0.355 52.452 52.037 0.100 0.000 1.345 2552 A CB -0.772 18.265 19.000 0.063 0.000 1.013 2552 A HN 0.343 nan 8.150 nan 0.000 0.641 2553 K N 0.000 120.449 120.400 0.081 0.000 2.780 2553 K HA 0.000 4.332 4.320 0.020 0.000 0.191 2553 K CA 0.000 56.318 56.287 0.052 0.000 0.838 2553 K CB 0.000 32.514 32.500 0.023 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543