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 2q58_1_B DATA FIRST_RESID 2023 DATA SEQUENCE YDYTDFINYY DKFKVIVYNV LKKLXXXXXX XXPVIEYYLN CIDYNVKKGK DATA SEQUENCE HIRGKILVLI SSLXXAYSNI KRDSIYLLGW VVEAIQALIL IADDIMDSGK DATA SEQUENCE FRRGAPCWYI VHGQSNAIND IFFLKMLSLS LIFELSSVFG NDIVMKIQKI DATA SEQUENCE YNESIFFTVL GQHLDLSYFD LSKADKISER YFSMVEMKTS RYTFYMPVFF DATA SEQUENCE GLTLSEIQVS SAQLNLIEAI LYKLGEFYQV HNDVSDYLFN DSNADDICRF DATA SEQUENCE KLTWPLQKSF EIADEEMKLK ISENYGKNSS LVKDCYNLLK INEHYLEYQR DATA SEQUENCE NALDYLIKLV KDITDDSLQK VFIHLIHQIS ELITNSRSN 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 2023 Y HA 0.000 nan 4.550 nan 0.000 0.201 2023 Y C 0.000 176.144 175.900 0.406 0.000 1.272 2023 Y CA 0.000 58.312 58.100 0.354 0.000 1.940 2023 Y CB 0.000 38.516 38.460 0.093 0.000 1.050 2024 D N -1.576 118.947 120.400 0.205 0.000 2.629 2024 D HA 0.613 5.253 4.640 -0.001 0.000 0.250 2024 D C -0.658 175.681 176.300 0.066 0.000 1.126 2024 D CA -0.169 53.965 54.000 0.224 0.000 0.852 2024 D CB 2.362 43.237 40.800 0.124 0.000 1.335 2024 D HN 1.273 nan 8.370 nan 0.000 0.518 2025 Y N 0.256 120.618 120.300 0.103 0.000 2.689 2025 Y HA -0.229 4.321 4.550 -0.001 0.000 0.472 2025 Y C 0.612 176.590 175.900 0.131 0.000 1.363 2025 Y CA 1.254 59.431 58.100 0.128 0.000 2.372 2025 Y CB -1.590 36.910 38.460 0.068 0.000 1.076 2025 Y HN 0.583 nan 8.280 nan 0.000 0.535 2026 T N 3.217 117.926 114.554 0.258 0.000 2.978 2026 T HA 0.446 4.795 4.350 -0.001 0.000 0.278 2026 T C -0.314 174.460 174.700 0.123 0.000 0.945 2026 T CA 0.639 62.828 62.100 0.148 0.000 1.070 2026 T CB -0.346 68.585 68.868 0.106 0.000 0.948 2026 T HN 0.410 nan 8.240 nan 0.000 0.617 2027 D N 0.499 120.955 120.400 0.094 0.000 3.216 2027 D HA 0.106 4.745 4.640 -0.001 0.000 0.348 2027 D C 0.549 176.719 176.300 -0.216 0.000 1.407 2027 D CA -0.661 53.342 54.000 0.005 0.000 0.744 2027 D CB -0.434 40.374 40.800 0.012 0.000 1.264 2027 D HN 0.350 nan 8.370 nan 0.000 0.543 2028 F N 1.126 120.909 119.950 -0.278 0.000 2.186 2028 F HA 0.046 4.573 4.527 -0.001 0.000 0.299 2028 F C 1.307 177.140 175.800 0.056 0.000 1.090 2028 F CA 1.169 58.951 58.000 -0.364 0.000 1.307 2028 F CB 0.059 39.047 39.000 -0.020 0.000 1.019 2028 F HN 0.041 nan 8.300 nan 0.000 0.489 2029 I N 0.767 121.245 120.570 -0.152 0.000 2.315 2029 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 2029 I C 1.471 177.645 176.117 0.094 0.000 1.117 2029 I CA 1.052 62.339 61.300 -0.021 0.000 1.404 2029 I CB -1.229 36.798 38.000 0.045 0.000 1.071 2029 I HN 0.201 nan 8.210 nan 0.000 0.419 2030 N N 0.045 118.775 118.700 0.050 0.000 2.494 2030 N HA -0.163 4.576 4.740 -0.001 0.000 0.182 2030 N C 1.543 177.096 175.510 0.073 0.000 1.076 2030 N CA 0.479 53.559 53.050 0.049 0.000 0.908 2030 N CB -0.374 38.134 38.487 0.035 0.000 0.967 2030 N HN 0.370 nan 8.380 nan 0.000 0.449 2031 Y N -0.256 120.035 120.300 -0.014 0.000 2.529 2031 Y HA -0.057 4.493 4.550 -0.001 0.000 0.290 2031 Y C 1.857 177.762 175.900 0.008 0.000 1.177 2031 Y CA 0.113 58.237 58.100 0.040 0.000 1.305 2031 Y CB -0.235 38.263 38.460 0.063 0.000 1.047 2031 Y HN 0.043 nan 8.280 nan 0.000 0.522 2032 Y N 0.787 120.933 120.300 -0.258 0.000 2.165 2032 Y HA -0.308 4.241 4.550 -0.001 0.000 0.286 2032 Y C 1.998 177.675 175.900 -0.371 0.000 1.155 2032 Y CA 2.111 59.768 58.100 -0.739 0.000 1.164 2032 Y CB -0.397 37.542 38.460 -0.868 0.000 0.978 2032 Y HN 0.133 nan 8.280 nan 0.000 0.513 2033 D N 0.260 120.516 120.400 -0.240 0.000 2.108 2033 D HA -0.212 4.427 4.640 -0.001 0.000 0.190 2033 D C 2.039 178.112 176.300 -0.378 0.000 0.995 2033 D CA 1.983 55.822 54.000 -0.270 0.000 0.834 2033 D CB -0.323 40.384 40.800 -0.155 0.000 0.967 2033 D HN 0.370 nan 8.370 nan 0.000 0.446 2034 K N -0.315 119.795 120.400 -0.484 0.000 2.211 2034 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 2034 K C 2.079 178.373 176.600 -0.509 0.000 1.047 2034 K CA 0.561 56.492 56.287 -0.593 0.000 0.935 2034 K CB -0.268 31.624 32.500 -1.013 0.000 0.728 2034 K HN 0.171 nan 8.250 nan 0.000 0.452 2035 F N 2.221 121.788 119.950 -0.638 0.000 2.186 2035 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 2035 F C 2.144 177.733 175.800 -0.352 0.000 1.090 2035 F CA 1.330 59.123 58.000 -0.346 0.000 1.307 2035 F CB -0.028 38.735 39.000 -0.395 0.000 1.019 2035 F HN -0.195 nan 8.300 nan 0.000 0.489 2036 K N 0.387 120.363 120.400 -0.708 0.000 2.026 2036 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 2036 K C 1.930 178.292 176.600 -0.396 0.000 1.048 2036 K CA 1.815 57.707 56.287 -0.658 0.000 0.929 2036 K CB -0.348 31.852 32.500 -0.501 0.000 0.713 2036 K HN 0.253 nan 8.250 nan 0.000 0.439 2037 V N 1.876 121.612 119.914 -0.298 0.000 2.392 2037 V HA -0.267 3.853 4.120 -0.001 0.000 0.249 2037 V C 2.252 178.293 176.094 -0.088 0.000 1.059 2037 V CA 1.677 63.884 62.300 -0.155 0.000 1.051 2037 V CB -0.426 31.309 31.823 -0.147 0.000 0.658 2037 V HN 0.357 nan 8.190 nan 0.000 0.455 2038 I N -0.504 119.965 120.570 -0.168 0.000 2.617 2038 I HA -0.121 4.049 4.170 -0.001 0.000 0.256 2038 I C 2.232 178.266 176.117 -0.138 0.000 1.167 2038 I CA 0.816 62.052 61.300 -0.106 0.000 1.469 2038 I CB -0.176 37.790 38.000 -0.056 0.000 1.098 2038 I HN 0.195 nan 8.210 nan 0.000 0.436 2039 V N 0.222 119.980 119.914 -0.261 0.000 2.407 2039 V HA -0.284 3.836 4.120 -0.001 0.000 0.245 2039 V C 2.290 178.351 176.094 -0.055 0.000 1.041 2039 V CA 1.541 63.716 62.300 -0.210 0.000 1.040 2039 V CB -0.762 30.853 31.823 -0.346 0.000 0.671 2039 V HN 0.387 nan 8.190 nan 0.000 0.455 2040 Y N 2.713 122.930 120.300 -0.138 0.000 2.256 2040 Y HA -0.306 4.243 4.550 -0.001 0.000 0.288 2040 Y C 2.365 178.238 175.900 -0.045 0.000 1.155 2040 Y CA 2.264 60.323 58.100 -0.068 0.000 1.203 2040 Y CB -0.409 38.002 38.460 -0.082 0.000 0.980 2040 Y HN 0.582 nan 8.280 nan 0.000 0.530 2041 N N -1.081 117.601 118.700 -0.030 0.000 2.416 2041 N HA -0.105 4.635 4.740 -0.001 0.000 0.177 2041 N C 1.220 176.668 175.510 -0.103 0.000 1.036 2041 N CA 1.102 54.104 53.050 -0.080 0.000 0.901 2041 N CB -0.511 37.982 38.487 0.010 0.000 0.976 2041 N HN 0.152 nan 8.380 nan 0.000 0.444 2042 V N 0.827 120.689 119.914 -0.086 0.000 2.913 2042 V HA -0.055 4.064 4.120 -0.001 0.000 0.260 2042 V C 1.459 177.501 176.094 -0.086 0.000 1.098 2042 V CA 0.989 63.242 62.300 -0.078 0.000 1.121 2042 V CB -0.559 31.219 31.823 -0.076 0.000 0.714 2042 V HN 0.462 nan 8.190 nan 0.000 0.487 2043 L N 0.482 121.622 121.223 -0.137 0.000 2.912 2043 L HA 0.264 4.603 4.340 -0.001 0.000 0.240 2043 L C 0.782 177.531 176.870 -0.202 0.000 1.262 2043 L CA 0.132 54.897 54.840 -0.125 0.000 1.058 2043 L CB -0.078 41.924 42.059 -0.095 0.000 1.383 2043 L HN 0.176 nan 8.230 nan 0.000 0.512 2044 K N 1.031 121.325 120.400 -0.176 0.000 2.231 2044 K HA 0.124 4.444 4.320 -0.001 0.000 0.255 2044 K C 0.785 177.335 176.600 -0.083 0.000 1.108 2044 K CA -0.326 55.871 56.287 -0.151 0.000 0.997 2044 K CB 0.566 32.985 32.500 -0.135 0.000 1.549 2044 K HN -0.066 nan 8.250 nan 0.000 0.419 2045 K N 1.740 122.102 120.400 -0.064 0.000 2.078 2045 K HA 0.123 4.443 4.320 -0.001 0.000 0.203 2045 K C 1.136 177.718 176.600 -0.029 0.000 1.043 2045 K CA 0.960 57.225 56.287 -0.036 0.000 0.960 2045 K CB -0.288 32.202 32.500 -0.017 0.000 0.761 2045 K HN 0.432 nan 8.250 nan 0.000 0.448 2056 V N 0.508 120.435 119.914 0.022 0.000 2.323 2056 V HA -0.137 3.982 4.120 -0.001 0.000 0.244 2056 V C 2.353 178.511 176.094 0.106 0.000 1.041 2056 V CA 1.687 64.002 62.300 0.026 0.000 1.025 2056 V CB -0.710 31.157 31.823 0.072 0.000 0.656 2056 V HN 0.117 nan 8.190 nan 0.000 0.451 2057 I N 1.239 121.880 120.570 0.118 0.000 2.091 2057 I HA -0.351 3.819 4.170 -0.001 0.000 0.240 2057 I C 2.571 178.776 176.117 0.147 0.000 1.046 2057 I CA 2.377 63.766 61.300 0.148 0.000 1.306 2057 I CB -0.581 37.500 38.000 0.134 0.000 1.018 2057 I HN 0.552 nan 8.210 nan 0.000 0.404 2058 E N -1.321 118.947 120.200 0.113 0.000 2.338 2058 E HA -0.261 4.088 4.350 -0.001 0.000 0.197 2058 E C 2.057 178.681 176.600 0.040 0.000 1.007 2058 E CA 1.052 57.501 56.400 0.081 0.000 0.849 2058 E CB -0.649 29.094 29.700 0.071 0.000 0.774 2058 E HN 0.606 nan 8.360 nan 0.000 0.506 2059 Y N 0.624 120.845 120.300 -0.131 0.000 2.133 2059 Y HA -0.232 4.317 4.550 -0.001 0.000 0.287 2059 Y C 1.491 177.192 175.900 -0.331 0.000 1.134 2059 Y CA 1.573 59.492 58.100 -0.303 0.000 1.133 2059 Y CB -0.168 37.946 38.460 -0.577 0.000 0.987 2059 Y HN -0.054 nan 8.280 nan 0.000 0.502 2060 Y N -0.241 119.974 120.300 -0.141 0.000 2.475 2060 Y HA -0.041 4.508 4.550 -0.001 0.000 0.289 2060 Y C 2.184 178.017 175.900 -0.111 0.000 1.121 2060 Y CA 0.570 58.450 58.100 -0.367 0.000 1.257 2060 Y CB -0.385 37.636 38.460 -0.731 0.000 1.026 2060 Y HN 0.151 nan 8.280 nan 0.000 0.555 2061 L N -0.222 121.060 121.223 0.098 0.000 2.093 2061 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 2061 L C 2.341 179.240 176.870 0.047 0.000 1.085 2061 L CA 1.520 56.411 54.840 0.085 0.000 0.755 2061 L CB -0.458 41.648 42.059 0.078 0.000 0.904 2061 L HN 0.336 nan 8.230 nan 0.000 0.435 2062 N N -0.306 118.390 118.700 -0.007 0.000 2.300 2062 N HA -0.190 4.549 4.740 -0.001 0.000 0.179 2062 N C 2.149 177.633 175.510 -0.044 0.000 1.016 2062 N CA 1.024 54.085 53.050 0.019 0.000 0.876 2062 N CB 0.116 38.620 38.487 0.028 0.000 0.979 2062 N HN 0.336 nan 8.380 nan 0.000 0.432 2063 C N 1.028 120.180 119.300 -0.248 0.000 2.393 2063 C HA -0.096 4.364 4.460 -0.001 0.000 0.276 2063 C C 2.682 177.545 174.990 -0.211 0.000 1.215 2063 C CA 0.610 59.325 59.018 -0.504 0.000 1.743 2063 C CB -1.225 26.303 27.740 -0.353 0.000 2.044 2063 C HN 0.467 nan 8.230 nan 0.000 0.464 2064 I N 0.592 121.193 120.570 0.051 0.000 2.226 2064 I HA -0.155 4.015 4.170 -0.001 0.000 0.245 2064 I C 2.196 178.450 176.117 0.229 0.000 1.100 2064 I CA 1.766 63.180 61.300 0.189 0.000 1.374 2064 I CB -0.696 37.459 38.000 0.258 0.000 1.057 2064 I HN 0.386 nan 8.210 nan 0.000 0.413 2065 D N 0.185 120.707 120.400 0.203 0.000 2.117 2065 D HA -0.219 4.420 4.640 -0.001 0.000 0.198 2065 D C 1.984 178.377 176.300 0.155 0.000 0.982 2065 D CA 1.381 55.519 54.000 0.230 0.000 0.828 2065 D CB -0.319 40.595 40.800 0.189 0.000 0.967 2065 D HN 0.358 nan 8.370 nan 0.000 0.464 2066 Y N 1.139 121.449 120.300 0.016 0.000 2.224 2066 Y HA -0.143 4.407 4.550 -0.001 0.000 0.289 2066 Y C 1.802 177.707 175.900 0.008 0.000 1.146 2066 Y CA 1.376 59.494 58.100 0.030 0.000 1.182 2066 Y CB 0.278 38.767 38.460 0.048 0.000 0.983 2066 Y HN -0.072 nan 8.280 nan 0.000 0.524 2067 N N -1.814 116.957 118.700 0.119 0.000 2.460 2067 N HA 0.040 4.779 4.740 -0.001 0.000 0.193 2067 N C 1.391 176.982 175.510 0.135 0.000 1.080 2067 N CA 1.037 54.147 53.050 0.100 0.000 0.869 2067 N CB 0.608 39.078 38.487 -0.028 0.000 1.201 2067 N HN 0.202 nan 8.380 nan 0.000 0.457 2068 V N 1.104 121.128 119.914 0.184 0.000 2.922 2068 V HA 0.104 4.223 4.120 -0.001 0.000 0.242 2068 V C 2.159 178.429 176.094 0.294 0.000 1.094 2068 V CA 0.702 63.168 62.300 0.277 0.000 1.106 2068 V CB 0.077 32.104 31.823 0.340 0.000 0.799 2068 V HN 0.099 nan 8.190 nan 0.000 0.474 2069 K N 0.803 121.288 120.400 0.142 0.000 2.288 2069 K HA -0.067 4.252 4.320 -0.001 0.000 0.201 2069 K C 1.045 177.669 176.600 0.040 0.000 1.048 2069 K CA 0.737 56.881 56.287 -0.238 0.000 0.956 2069 K CB 0.131 32.388 32.500 -0.405 0.000 0.746 2069 K HN 0.229 nan 8.250 nan 0.000 0.461 2070 K N 0.142 120.583 120.400 0.068 0.000 2.253 2070 K HA 0.257 4.577 4.320 -0.001 0.000 0.277 2070 K C -0.411 176.133 176.600 -0.092 0.000 1.053 2070 K CA 0.049 56.318 56.287 -0.030 0.000 0.892 2070 K CB 1.249 33.698 32.500 -0.085 0.000 1.102 2070 K HN 0.328 nan 8.250 nan 0.000 0.469 2071 G N 2.716 111.352 108.800 -0.273 0.000 2.270 2071 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.268 2071 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.268 2071 G C -0.232 174.287 174.900 -0.634 0.000 1.312 2071 G CA -0.673 44.222 45.100 -0.342 0.000 1.050 2071 G HN 0.523 nan 8.290 nan 0.000 0.474 2072 K N -0.297 119.842 120.400 -0.434 0.000 2.262 2072 K HA 0.140 4.459 4.320 -0.001 0.000 0.200 2072 K C 0.514 176.962 176.600 -0.252 0.000 1.049 2072 K CA 0.630 56.737 56.287 -0.301 0.000 0.979 2072 K CB -0.002 32.422 32.500 -0.126 0.000 0.773 2072 K HN 0.611 nan 8.250 nan 0.000 0.474 2073 H N -0.822 118.249 119.070 0.002 0.000 2.903 2073 H HA -0.139 4.416 4.556 -0.001 0.000 0.285 2073 H C 0.901 176.196 175.328 -0.055 0.000 1.231 2073 H CA 0.822 56.870 56.048 -0.000 0.000 1.135 2073 H CB -2.455 27.315 29.762 0.013 0.000 1.328 2073 H HN 0.236 nan 8.280 nan 0.000 0.388 2074 I N -0.123 120.438 120.570 -0.015 0.000 2.361 2074 I HA -0.227 3.943 4.170 -0.001 0.000 0.251 2074 I C 2.523 178.558 176.117 -0.136 0.000 1.133 2074 I CA 1.432 62.684 61.300 -0.080 0.000 1.413 2074 I CB -0.143 37.809 38.000 -0.079 0.000 1.073 2074 I HN 0.171 nan 8.210 nan 0.000 0.424 2075 R N 0.165 120.576 120.500 -0.148 0.000 2.140 2075 R HA 0.067 4.407 4.340 -0.001 0.000 0.213 2075 R C 2.359 178.560 176.300 -0.166 0.000 1.059 2075 R CA 0.936 56.906 56.100 -0.216 0.000 1.000 2075 R CB -0.352 29.816 30.300 -0.220 0.000 0.910 2075 R HN 0.364 nan 8.270 nan 0.000 0.455 2076 G N 1.092 109.817 108.800 -0.125 0.000 2.464 2076 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 2076 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 2076 G C 1.155 175.711 174.900 -0.575 0.000 1.138 2076 G CA 0.175 45.117 45.100 -0.264 0.000 0.793 2076 G HN 0.163 nan 8.290 nan 0.000 0.539 2077 K N 0.014 120.229 120.400 -0.308 0.000 2.032 2077 K HA 0.020 4.340 4.320 -0.001 0.000 0.209 2077 K C 2.314 178.876 176.600 -0.063 0.000 1.048 2077 K CA 0.969 57.175 56.287 -0.136 0.000 0.927 2077 K CB -0.241 32.202 32.500 -0.094 0.000 0.712 2077 K HN 0.293 nan 8.250 nan 0.000 0.441 2078 I N 1.228 121.727 120.570 -0.119 0.000 2.361 2078 I HA -0.273 3.896 4.170 -0.001 0.000 0.251 2078 I C 2.317 178.319 176.117 -0.191 0.000 1.133 2078 I CA 0.840 62.060 61.300 -0.133 0.000 1.413 2078 I CB -0.129 37.782 38.000 -0.148 0.000 1.073 2078 I HN 0.197 nan 8.210 nan 0.000 0.424 2079 L N 0.092 121.180 121.223 -0.224 0.000 2.056 2079 L HA -0.189 4.150 4.340 -0.001 0.000 0.207 2079 L C 2.462 179.192 176.870 -0.233 0.000 1.078 2079 L CA 1.271 55.995 54.840 -0.193 0.000 0.749 2079 L CB -0.000 41.967 42.059 -0.153 0.000 0.901 2079 L HN 0.001 nan 8.230 nan 0.000 0.433 2080 V N -0.252 119.466 119.914 -0.326 0.000 2.283 2080 V HA -0.273 3.846 4.120 -0.001 0.000 0.243 2080 V C 2.366 178.295 176.094 -0.275 0.000 1.039 2080 V CA 1.542 63.657 62.300 -0.308 0.000 1.016 2080 V CB -0.604 31.013 31.823 -0.344 0.000 0.650 2080 V HN 0.475 nan 8.190 nan 0.000 0.449 2081 L N 0.532 121.578 121.223 -0.295 0.000 1.997 2081 L HA -0.251 4.088 4.340 -0.001 0.000 0.227 2081 L C 2.284 179.013 176.870 -0.235 0.000 1.087 2081 L CA 2.353 57.019 54.840 -0.289 0.000 0.797 2081 L CB -0.843 41.086 42.059 -0.217 0.000 0.902 2081 L HN 0.196 nan 8.230 nan 0.000 0.441 2082 I N -0.647 119.775 120.570 -0.248 0.000 2.315 2082 I HA -0.242 3.928 4.170 -0.001 0.000 0.251 2082 I C 2.375 178.385 176.117 -0.178 0.000 1.125 2082 I CA 1.500 62.649 61.300 -0.251 0.000 1.392 2082 I CB -1.582 36.247 38.000 -0.286 0.000 1.065 2082 I HN 0.348 nan 8.210 nan 0.000 0.424 2083 S N 0.045 115.638 115.700 -0.178 0.000 2.631 2083 S HA 0.185 4.654 4.470 -0.001 0.000 0.217 2083 S C 1.807 176.322 174.600 -0.141 0.000 0.958 2083 S CA 0.655 58.764 58.200 -0.152 0.000 0.920 2083 S CB -0.142 62.958 63.200 -0.168 0.000 0.776 2083 S HN 0.630 nan 8.310 nan 0.000 0.517 2084 S N 1.288 116.901 115.700 -0.145 0.000 2.400 2084 S HA 0.369 4.838 4.470 -0.001 0.000 0.170 2084 S C 1.009 175.556 174.600 -0.088 0.000 0.917 2084 S CA 0.602 58.722 58.200 -0.133 0.000 1.028 2084 S CB -0.956 62.145 63.200 -0.166 0.000 0.810 2084 S HN 0.370 nan 8.310 nan 0.000 0.504 2089 Y N 1.480 121.771 120.300 -0.016 0.000 2.790 2089 Y HA 0.425 4.975 4.550 -0.001 0.000 0.348 2089 Y C 1.143 177.033 175.900 -0.016 0.000 1.183 2089 Y CA 0.882 58.970 58.100 -0.020 0.000 2.002 2089 Y CB -0.901 37.547 38.460 -0.019 0.000 2.086 2089 Y HN 1.733 nan 8.280 nan 0.000 0.412 2090 S N -1.240 114.449 115.700 -0.018 0.000 2.818 2090 S HA 0.149 4.619 4.470 -0.001 0.000 0.251 2090 S C 0.179 174.763 174.600 -0.027 0.000 1.083 2090 S CA 0.542 58.731 58.200 -0.017 0.000 0.871 2090 S CB 0.082 63.274 63.200 -0.014 0.000 0.831 2090 S HN 0.590 nan 8.310 nan 0.000 0.470 2091 N N 0.595 119.271 118.700 -0.039 0.000 2.525 2091 N HA 0.456 5.196 4.740 -0.001 0.000 0.288 2091 N C -0.613 174.856 175.510 -0.068 0.000 1.242 2091 N CA -0.723 52.290 53.050 -0.061 0.000 0.905 2091 N CB 1.480 39.909 38.487 -0.096 0.000 1.258 2091 N HN 0.170 nan 8.380 nan 0.000 0.551 2092 I N 1.486 122.009 120.570 -0.077 0.000 3.826 2092 I HA 0.113 4.283 4.170 -0.001 0.000 0.319 2092 I C 0.952 176.999 176.117 -0.117 0.000 1.394 2092 I CA -0.014 61.246 61.300 -0.066 0.000 1.197 2092 I CB -0.703 37.280 38.000 -0.028 0.000 1.096 2092 I HN 0.461 nan 8.210 nan 0.000 0.409 2093 K N 0.140 120.426 120.400 -0.190 0.000 2.743 2093 K HA -0.058 4.262 4.320 -0.001 0.000 0.219 2093 K C 1.491 178.011 176.600 -0.133 0.000 1.003 2093 K CA 0.150 56.269 56.287 -0.280 0.000 1.156 2093 K CB -0.308 31.832 32.500 -0.599 0.000 0.932 2093 K HN 0.383 nan 8.250 nan 0.000 0.490 2094 R N 1.061 121.467 120.500 -0.157 0.000 2.156 2094 R HA -0.042 4.297 4.340 -0.001 0.000 0.207 2094 R C 0.803 176.830 176.300 -0.455 0.000 1.040 2094 R CA 0.582 56.505 56.100 -0.295 0.000 1.013 2094 R CB 0.269 30.457 30.300 -0.188 0.000 0.931 2094 R HN 0.123 nan 8.270 nan 0.000 0.465 2095 D N 0.260 120.576 120.400 -0.140 0.000 2.088 2095 D HA -0.205 4.434 4.640 -0.001 0.000 0.191 2095 D C 1.706 177.891 176.300 -0.192 0.000 0.992 2095 D CA 1.698 55.610 54.000 -0.147 0.000 0.831 2095 D CB -0.662 40.196 40.800 0.096 0.000 0.973 2095 D HN 0.102 nan 8.370 nan 0.000 0.447 2096 S N 0.061 115.726 115.700 -0.060 0.000 2.378 2096 S HA -0.222 4.248 4.470 -0.001 0.000 0.229 2096 S C 2.178 176.841 174.600 0.105 0.000 1.052 2096 S CA 1.153 59.388 58.200 0.057 0.000 1.084 2096 S CB -0.530 62.669 63.200 -0.001 0.000 0.950 2096 S HN 0.229 nan 8.310 nan 0.000 0.440 2097 I N -0.063 120.521 120.570 0.022 0.000 2.118 2097 I HA -0.235 3.934 4.170 -0.001 0.000 0.241 2097 I C 2.174 178.261 176.117 -0.049 0.000 1.070 2097 I CA 1.849 63.110 61.300 -0.064 0.000 1.327 2097 I CB -0.465 37.388 38.000 -0.244 0.000 1.034 2097 I HN 0.388 nan 8.210 nan 0.000 0.405 2098 Y N 0.085 120.350 120.300 -0.058 0.000 2.081 2098 Y HA -0.308 4.242 4.550 -0.001 0.000 0.280 2098 Y C 2.334 178.364 175.900 0.216 0.000 1.163 2098 Y CA 1.489 59.606 58.100 0.028 0.000 1.135 2098 Y CB -1.151 37.138 38.460 -0.285 0.000 0.970 2098 Y HN 0.127 nan 8.280 nan 0.000 0.498 2099 L N -0.485 120.961 121.223 0.371 0.000 2.081 2099 L HA -0.225 4.115 4.340 -0.001 0.000 0.212 2099 L C 2.238 179.352 176.870 0.407 0.000 1.080 2099 L CA 1.427 56.608 54.840 0.569 0.000 0.754 2099 L CB -0.796 41.568 42.059 0.509 0.000 0.893 2099 L HN 0.260 nan 8.230 nan 0.000 0.433 2100 L N -0.203 121.166 121.223 0.243 0.000 2.056 2100 L HA 0.002 4.342 4.340 -0.001 0.000 0.207 2100 L C 2.391 179.368 176.870 0.178 0.000 1.078 2100 L CA 2.062 56.994 54.840 0.153 0.000 0.749 2100 L CB -1.584 40.492 42.059 0.029 0.000 0.901 2100 L HN 0.302 nan 8.230 nan 0.000 0.433 2101 G N -0.970 107.911 108.800 0.135 0.000 2.491 2101 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.218 2101 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.218 2101 G C 1.389 176.354 174.900 0.108 0.000 1.180 2101 G CA 1.080 46.193 45.100 0.022 0.000 0.774 2101 G HN 0.590 nan 8.290 nan 0.000 0.562 2102 W N 0.001 121.453 121.300 0.253 0.000 2.519 2102 W HA 0.108 4.768 4.660 -0.001 0.000 0.266 2102 W C 2.557 179.000 176.519 -0.126 0.000 1.253 2102 W CA -0.007 57.235 57.345 -0.173 0.000 1.274 2102 W CB -0.025 28.961 29.460 -0.790 0.000 1.114 2102 W HN 0.017 nan 8.180 nan 0.000 0.596 2103 V N -0.409 119.684 119.914 0.298 0.000 2.515 2103 V HA -0.258 3.862 4.120 -0.001 0.000 0.250 2103 V C 1.819 178.084 176.094 0.284 0.000 1.058 2103 V CA 1.279 63.759 62.300 0.300 0.000 1.064 2103 V CB -0.855 31.124 31.823 0.260 0.000 0.675 2103 V HN 0.024 nan 8.190 nan 0.000 0.461 2104 V N -0.522 119.550 119.914 0.264 0.000 2.548 2104 V HA -0.127 3.993 4.120 -0.001 0.000 0.249 2104 V C 2.568 178.780 176.094 0.196 0.000 1.055 2104 V CA 1.409 63.855 62.300 0.242 0.000 1.065 2104 V CB -0.471 31.459 31.823 0.178 0.000 0.681 2104 V HN 0.496 nan 8.190 nan 0.000 0.462 2105 E N 0.460 120.782 120.200 0.203 0.000 2.153 2105 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 2105 E C 2.307 179.062 176.600 0.257 0.000 0.988 2105 E CA 1.406 57.957 56.400 0.251 0.000 0.811 2105 E CB -0.388 29.533 29.700 0.367 0.000 0.746 2105 E HN 0.575 nan 8.360 nan 0.000 0.466 2106 A N 0.543 123.515 122.820 0.253 0.000 1.929 2106 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 2106 A C 2.284 179.976 177.584 0.180 0.000 1.176 2106 A CA 0.762 52.938 52.037 0.233 0.000 0.628 2106 A CB -0.445 18.711 19.000 0.260 0.000 0.816 2106 A HN 0.171 nan 8.150 nan 0.000 0.444 2107 I N -0.325 120.356 120.570 0.185 0.000 2.315 2107 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 2107 I C 2.727 178.877 176.117 0.054 0.000 1.117 2107 I CA 1.483 62.860 61.300 0.128 0.000 1.404 2107 I CB -0.126 37.973 38.000 0.166 0.000 1.071 2107 I HN 0.458 nan 8.210 nan 0.000 0.419 2108 Q N 1.445 121.321 119.800 0.127 0.000 2.123 2108 Q HA -0.166 4.174 4.340 -0.001 0.000 0.199 2108 Q C 2.209 178.266 176.000 0.096 0.000 0.966 2108 Q CA 1.837 57.725 55.803 0.142 0.000 0.845 2108 Q CB -0.019 28.866 28.738 0.245 0.000 0.907 2108 Q HN 0.513 nan 8.270 nan 0.000 0.439 2109 A N 1.679 124.573 122.820 0.123 0.000 1.968 2109 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 2109 A C 2.078 179.716 177.584 0.090 0.000 1.169 2109 A CA 1.161 53.270 52.037 0.120 0.000 0.638 2109 A CB -0.546 18.540 19.000 0.144 0.000 0.812 2109 A HN 0.546 nan 8.150 nan 0.000 0.446 2110 L N -2.203 119.061 121.223 0.069 0.000 2.416 2110 L HA 0.176 4.516 4.340 -0.001 0.000 0.216 2110 L C 1.997 178.869 176.870 0.004 0.000 1.098 2110 L CA 0.892 55.767 54.840 0.058 0.000 0.840 2110 L CB -0.345 41.754 42.059 0.065 0.000 0.981 2110 L HN 0.246 nan 8.230 nan 0.000 0.462 2111 I N 0.909 121.435 120.570 -0.073 0.000 2.163 2111 I HA -0.328 3.842 4.170 -0.001 0.000 0.243 2111 I C 2.499 178.578 176.117 -0.064 0.000 1.085 2111 I CA 1.669 62.870 61.300 -0.165 0.000 1.347 2111 I CB -0.150 37.581 38.000 -0.449 0.000 1.044 2111 I HN 0.305 nan 8.210 nan 0.000 0.408 2112 L N 0.236 121.461 121.223 0.004 0.000 2.270 2112 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 2112 L C 2.459 179.399 176.870 0.118 0.000 1.104 2112 L CA 0.706 55.587 54.840 0.067 0.000 0.804 2112 L CB -0.324 41.800 42.059 0.108 0.000 0.937 2112 L HN 0.339 nan 8.230 nan 0.000 0.450 2113 I N -2.574 118.079 120.570 0.139 0.000 2.286 2113 I HA -0.105 4.064 4.170 -0.001 0.000 0.245 2113 I C 2.729 178.941 176.117 0.159 0.000 1.104 2113 I CA 1.164 62.591 61.300 0.210 0.000 1.397 2113 I CB -0.740 37.411 38.000 0.253 0.000 1.072 2113 I HN 0.011 nan 8.210 nan 0.000 0.417 2114 A N 1.719 124.601 122.820 0.103 0.000 1.884 2114 A HA -0.377 3.942 4.320 -0.001 0.000 0.219 2114 A C 2.010 179.610 177.584 0.026 0.000 1.197 2114 A CA 2.797 54.867 52.037 0.055 0.000 0.637 2114 A CB -1.274 17.740 19.000 0.024 0.000 0.827 2114 A HN 0.639 nan 8.150 nan 0.000 0.450 2115 D N -0.881 119.541 120.400 0.037 0.000 2.144 2115 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 2115 D C 1.352 177.674 176.300 0.038 0.000 0.984 2115 D CA 1.489 55.511 54.000 0.037 0.000 0.834 2115 D CB -0.089 40.744 40.800 0.056 0.000 0.955 2115 D HN 0.414 nan 8.370 nan 0.000 0.465 2116 D N -0.476 119.965 120.400 0.070 0.000 2.194 2116 D HA -0.052 4.588 4.640 -0.001 0.000 0.204 2116 D C 2.220 178.457 176.300 -0.105 0.000 0.964 2116 D CA 0.398 54.461 54.000 0.106 0.000 0.846 2116 D CB -0.003 40.962 40.800 0.275 0.000 0.962 2116 D HN 0.385 nan 8.370 nan 0.000 0.490 2117 I N 0.808 121.175 120.570 -0.338 0.000 2.090 2117 I HA -0.284 3.886 4.170 -0.001 0.000 0.236 2117 I C 2.563 178.510 176.117 -0.283 0.000 1.064 2117 I CA 1.024 61.941 61.300 -0.638 0.000 1.324 2117 I CB -0.356 37.388 38.000 -0.426 0.000 1.044 2117 I HN -0.098 nan 8.210 nan 0.000 0.399 2118 M N 0.067 119.589 119.600 -0.131 0.000 2.195 2118 M HA -0.242 4.237 4.480 -0.001 0.000 0.260 2118 M C 0.888 177.169 176.300 -0.032 0.000 1.066 2118 M CA 1.592 56.857 55.300 -0.058 0.000 1.089 2118 M CB -0.466 32.123 32.600 -0.019 0.000 1.377 2118 M HN 0.215 nan 8.290 nan 0.000 0.411 2119 D N -0.693 119.695 120.400 -0.020 0.000 2.398 2119 D HA 0.132 4.772 4.640 -0.001 0.000 0.210 2119 D C 0.141 176.466 176.300 0.042 0.000 1.094 2119 D CA 0.217 54.232 54.000 0.025 0.000 0.839 2119 D CB 0.430 41.263 40.800 0.055 0.000 0.963 2119 D HN 0.056 nan 8.370 nan 0.000 0.506 2120 S N 0.180 115.891 115.700 0.018 0.000 3.749 2120 S HA -0.116 4.354 4.470 -0.001 0.000 0.348 2120 S C 0.812 175.525 174.600 0.189 0.000 1.045 2120 S CA 0.304 58.570 58.200 0.110 0.000 1.051 2120 S CB -1.357 61.897 63.200 0.091 0.000 0.898 2120 S HN 0.515 nan 8.310 nan 0.000 0.472 2121 G N 0.252 109.193 108.800 0.235 0.000 2.491 2121 G HA2 0.375 4.335 3.960 -0.001 0.000 0.238 2121 G HA3 0.375 4.335 3.960 -0.001 0.000 0.238 2121 G C 0.695 175.723 174.900 0.212 0.000 1.277 2121 G CA -0.225 45.017 45.100 0.236 0.000 0.851 2121 G HN 0.249 nan 8.290 nan 0.000 0.573 2122 K N 0.727 121.184 120.400 0.094 0.000 2.266 2122 K HA 0.229 4.549 4.320 -0.001 0.000 0.209 2122 K C 0.003 176.400 176.600 -0.339 0.000 1.065 2122 K CA 0.639 56.850 56.287 -0.127 0.000 0.946 2122 K CB 0.062 32.524 32.500 -0.063 0.000 1.069 2122 K HN 0.436 nan 8.250 nan 0.000 0.472 2123 F N 0.718 120.714 119.950 0.077 0.000 2.520 2123 F HA 0.491 5.018 4.527 -0.001 0.000 0.322 2123 F C 0.214 176.067 175.800 0.089 0.000 1.103 2123 F CA -0.892 57.151 58.000 0.073 0.000 0.926 2123 F CB 1.939 40.962 39.000 0.039 0.000 1.154 2123 F HN -0.202 nan 8.300 nan 0.000 0.453 2124 R N 1.824 122.489 120.500 0.275 0.000 2.744 2124 R HA 0.559 4.899 4.340 -0.001 0.000 0.279 2124 R C -0.220 176.169 176.300 0.149 0.000 0.977 2124 R CA -0.698 55.519 56.100 0.196 0.000 0.906 2124 R CB 1.279 31.691 30.300 0.187 0.000 1.197 2124 R HN 0.786 nan 8.270 nan 0.000 0.463 2125 R N 2.149 122.701 120.500 0.087 0.000 3.627 2125 R HA -0.230 4.110 4.340 -0.001 0.000 0.281 2125 R C 0.615 176.922 176.300 0.011 0.000 1.140 2125 R CA 0.792 56.908 56.100 0.027 0.000 0.761 2125 R CB -2.228 28.072 30.300 -0.000 0.000 1.181 2125 R HN 1.148 nan 8.270 nan 0.000 0.472 2126 G N -1.668 107.152 108.800 0.033 0.000 2.179 2126 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.260 2126 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.260 2126 G C 0.115 175.068 174.900 0.088 0.000 0.977 2126 G CA 0.250 45.343 45.100 -0.011 0.000 0.641 2126 G HN 1.131 nan 8.290 nan 0.000 0.533 2127 A N -0.339 122.616 122.820 0.224 0.000 2.475 2127 A HA 0.860 5.179 4.320 -0.001 0.000 0.301 2127 A C -2.860 174.942 177.584 0.363 0.000 1.059 2127 A CA -1.488 50.719 52.037 0.285 0.000 0.710 2127 A CB 1.658 20.670 19.000 0.021 0.000 1.288 2127 A HN 0.041 nan 8.150 nan 0.000 0.408 2128 P HA 0.092 nan 4.420 nan 0.000 0.260 2128 P C -0.109 177.274 177.300 0.138 0.000 1.172 2128 P CA 0.083 63.145 63.100 -0.062 0.000 0.760 2128 P CB -0.142 31.524 31.700 -0.056 0.000 0.773 2129 C N 4.032 123.344 119.300 0.020 0.000 2.641 2129 C HA -0.089 4.370 4.460 -0.001 0.000 0.412 2129 C C 2.128 177.229 174.990 0.185 0.000 1.312 2129 C CA -0.266 58.863 59.018 0.184 0.000 1.838 2129 C CB -0.819 27.030 27.740 0.181 0.000 2.682 2129 C HN 0.765 nan 8.230 nan 0.000 0.627 2130 W N 1.879 123.282 121.300 0.172 0.000 2.338 2130 W HA -0.172 4.487 4.660 -0.001 0.000 0.304 2130 W C 2.112 178.673 176.519 0.071 0.000 1.212 2130 W CA 2.117 59.511 57.345 0.081 0.000 1.264 2130 W CB -0.400 29.158 29.460 0.164 0.000 1.142 2130 W HN 1.020 nan 8.180 nan 0.000 0.512 2131 Y N -0.479 119.890 120.300 0.114 0.000 2.421 2131 Y HA -0.085 4.464 4.550 -0.001 0.000 0.292 2131 Y C 1.997 177.843 175.900 -0.090 0.000 1.136 2131 Y CA 1.400 59.501 58.100 0.002 0.000 1.255 2131 Y CB -1.324 37.188 38.460 0.086 0.000 0.991 2131 Y HN -0.107 nan 8.280 nan 0.000 0.552 2132 I N 0.503 120.591 120.570 -0.803 0.000 2.296 2132 I HA -0.174 3.996 4.170 -0.001 0.000 0.242 2132 I C 2.335 178.184 176.117 -0.448 0.000 1.087 2132 I CA 1.272 62.164 61.300 -0.680 0.000 1.393 2132 I CB -0.306 37.267 38.000 -0.712 0.000 1.093 2132 I HN 0.275 nan 8.210 nan 0.000 0.421 2133 V N -2.295 117.347 119.914 -0.452 0.000 2.809 2133 V HA -0.168 3.951 4.120 -0.001 0.000 0.256 2133 V C 1.044 176.671 176.094 -0.778 0.000 1.080 2133 V CA 1.580 63.555 62.300 -0.541 0.000 1.102 2133 V CB -1.034 30.465 31.823 -0.539 0.000 0.705 2133 V HN 0.456 nan 8.190 nan 0.000 0.475 2134 H N 0.197 118.845 119.070 -0.705 0.000 2.750 2134 H HA 0.546 5.101 4.556 -0.001 0.000 0.239 2134 H C 1.068 176.180 175.328 -0.359 0.000 1.210 2134 H CA 0.219 55.876 56.048 -0.652 0.000 0.936 2134 H CB 0.446 29.500 29.762 -1.181 0.000 2.074 2134 H HN 0.702 nan 8.280 nan 0.000 0.622 2135 G N 0.739 109.437 108.800 -0.171 0.000 2.960 2135 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.267 2135 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.267 2135 G C 0.674 175.631 174.900 0.096 0.000 1.492 2135 G CA 0.434 45.516 45.100 -0.029 0.000 0.953 2135 G HN 0.516 nan 8.290 nan 0.000 0.555 2136 Q N -0.654 119.232 119.800 0.142 0.000 2.137 2136 Q HA -0.009 4.330 4.340 -0.001 0.000 0.198 2136 Q C 2.825 178.904 176.000 0.131 0.000 0.960 2136 Q CA 1.657 57.564 55.803 0.173 0.000 0.847 2136 Q CB -0.221 28.592 28.738 0.125 0.000 0.915 2136 Q HN 0.615 nan 8.270 nan 0.000 0.448 2137 S N 0.995 116.748 115.700 0.087 0.000 2.382 2137 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 2137 S C 1.561 176.220 174.600 0.099 0.000 1.027 2137 S CA 1.171 59.412 58.200 0.069 0.000 0.991 2137 S CB -0.181 63.037 63.200 0.030 0.000 0.823 2137 S HN 0.429 nan 8.310 nan 0.000 0.469 2138 N N 1.398 120.168 118.700 0.116 0.000 2.220 2138 N HA 0.113 4.852 4.740 -0.001 0.000 0.182 2138 N C 1.983 177.697 175.510 0.339 0.000 1.023 2138 N CA 1.118 54.274 53.050 0.177 0.000 0.856 2138 N CB -0.619 37.944 38.487 0.128 0.000 0.997 2138 N HN 0.345 nan 8.380 nan 0.000 0.429 2139 A N 1.803 124.834 122.820 0.352 0.000 1.927 2139 A HA -0.162 4.158 4.320 -0.001 0.000 0.220 2139 A C 2.302 180.130 177.584 0.407 0.000 1.185 2139 A CA 1.216 53.575 52.037 0.536 0.000 0.639 2139 A CB -0.818 18.478 19.000 0.494 0.000 0.820 2139 A HN 0.257 nan 8.150 nan 0.000 0.451 2140 I N -0.810 119.937 120.570 0.295 0.000 2.202 2140 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 2140 I C 2.468 178.790 176.117 0.342 0.000 1.091 2140 I CA 1.784 63.250 61.300 0.276 0.000 1.368 2140 I CB -0.504 37.609 38.000 0.188 0.000 1.058 2140 I HN 0.444 nan 8.210 nan 0.000 0.410 2141 N N 1.147 119.997 118.700 0.250 0.000 2.084 2141 N HA -0.212 4.528 4.740 -0.001 0.000 0.190 2141 N C 1.407 177.151 175.510 0.390 0.000 1.030 2141 N CA 1.648 54.824 53.050 0.210 0.000 0.849 2141 N CB -0.077 38.490 38.487 0.133 0.000 1.012 2141 N HN 0.196 nan 8.380 nan 0.000 0.423 2142 D N -0.162 120.518 120.400 0.466 0.000 2.310 2142 D HA -0.065 4.575 4.640 -0.001 0.000 0.212 2142 D C 1.835 178.404 176.300 0.449 0.000 0.965 2142 D CA 0.422 54.749 54.000 0.546 0.000 0.879 2142 D CB -0.090 41.097 40.800 0.645 0.000 0.921 2142 D HN 0.454 nan 8.370 nan 0.000 0.510 2143 I N -0.033 120.780 120.570 0.406 0.000 2.226 2143 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 2143 I C 2.020 178.287 176.117 0.249 0.000 1.100 2143 I CA 0.881 62.352 61.300 0.284 0.000 1.374 2143 I CB -0.207 37.930 38.000 0.229 0.000 1.057 2143 I HN -0.103 nan 8.210 nan 0.000 0.413 2144 F N -0.262 119.779 119.950 0.152 0.000 2.216 2144 F HA -0.263 4.263 4.527 -0.001 0.000 0.300 2144 F C 2.291 178.147 175.800 0.094 0.000 1.085 2144 F CA 1.388 59.455 58.000 0.112 0.000 1.326 2144 F CB -0.452 38.612 39.000 0.108 0.000 1.027 2144 F HN 0.026 nan 8.300 nan 0.000 0.497 2145 F N 0.735 120.778 119.950 0.156 0.000 2.075 2145 F HA -0.205 4.322 4.527 -0.001 0.000 0.297 2145 F C 1.965 177.748 175.800 -0.029 0.000 1.113 2145 F CA 1.585 59.546 58.000 -0.066 0.000 1.218 2145 F CB -0.626 38.175 39.000 -0.331 0.000 0.984 2145 F HN -0.179 nan 8.300 nan 0.000 0.472 2146 L N 0.108 121.327 121.223 -0.006 0.000 2.353 2146 L HA -0.175 4.164 4.340 -0.001 0.000 0.220 2146 L C 2.271 179.097 176.870 -0.073 0.000 1.133 2146 L CA 1.538 56.330 54.840 -0.081 0.000 0.798 2146 L CB -0.510 41.612 42.059 0.105 0.000 0.922 2146 L HN 0.289 nan 8.230 nan 0.000 0.445 2147 K N -1.005 119.368 120.400 -0.045 0.000 2.367 2147 K HA -0.003 4.317 4.320 -0.001 0.000 0.198 2147 K C 2.167 178.770 176.600 0.005 0.000 1.132 2147 K CA -0.054 56.250 56.287 0.028 0.000 0.941 2147 K CB 0.308 32.812 32.500 0.008 0.000 1.052 2147 K HN -0.035 nan 8.250 nan 0.000 0.507 2148 M N 1.351 120.924 119.600 -0.045 0.000 2.086 2148 M HA -0.126 4.353 4.480 -0.001 0.000 0.261 2148 M C 2.190 178.407 176.300 -0.138 0.000 1.067 2148 M CA 1.219 56.476 55.300 -0.072 0.000 1.116 2148 M CB -1.196 31.376 32.600 -0.047 0.000 1.348 2148 M HN 0.217 nan 8.290 nan 0.000 0.407 2149 L N 0.440 121.510 121.223 -0.255 0.000 1.990 2149 L HA -0.219 4.120 4.340 -0.001 0.000 0.213 2149 L C 2.490 179.295 176.870 -0.108 0.000 1.072 2149 L CA 2.012 56.691 54.840 -0.269 0.000 0.755 2149 L CB -0.959 40.800 42.059 -0.500 0.000 0.889 2149 L HN 0.277 nan 8.230 nan 0.000 0.432 2150 S N -0.413 115.259 115.700 -0.046 0.000 2.368 2150 S HA -0.264 4.205 4.470 -0.001 0.000 0.226 2150 S C 1.927 176.486 174.600 -0.067 0.000 1.044 2150 S CA 2.026 60.249 58.200 0.038 0.000 1.062 2150 S CB -0.714 62.589 63.200 0.171 0.000 0.931 2150 S HN 0.459 nan 8.310 nan 0.000 0.440 2151 L N 0.989 122.133 121.223 -0.132 0.000 2.012 2151 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 2151 L C 2.659 179.482 176.870 -0.078 0.000 1.073 2151 L CA 1.241 55.966 54.840 -0.192 0.000 0.748 2151 L CB -0.600 41.372 42.059 -0.145 0.000 0.891 2151 L HN 0.254 nan 8.230 nan 0.000 0.431 2152 S N -0.364 115.295 115.700 -0.069 0.000 2.345 2152 S HA -0.108 4.361 4.470 -0.001 0.000 0.220 2152 S C 1.853 176.481 174.600 0.045 0.000 1.031 2152 S CA 0.927 59.108 58.200 -0.032 0.000 0.996 2152 S CB -0.252 62.897 63.200 -0.085 0.000 0.882 2152 S HN 0.128 nan 8.310 nan 0.000 0.445 2153 L N 1.824 123.063 121.223 0.026 0.000 2.079 2153 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 2153 L C 2.065 178.977 176.870 0.070 0.000 1.081 2153 L CA 1.265 56.146 54.840 0.069 0.000 0.752 2153 L CB -1.017 41.107 42.059 0.108 0.000 0.896 2153 L HN 0.269 nan 8.230 nan 0.000 0.433 2154 I N -1.273 119.308 120.570 0.017 0.000 2.127 2154 I HA -0.344 3.825 4.170 -0.001 0.000 0.241 2154 I C 2.513 178.628 176.117 -0.003 0.000 1.075 2154 I CA 1.438 62.710 61.300 -0.046 0.000 1.334 2154 I CB -1.304 36.596 38.000 -0.167 0.000 1.040 2154 I HN 0.195 nan 8.210 nan 0.000 0.405 2155 F N 1.766 121.658 119.950 -0.097 0.000 2.147 2155 F HA -0.232 4.295 4.527 -0.001 0.000 0.301 2155 F C 1.442 177.221 175.800 -0.035 0.000 1.084 2155 F CA 1.458 59.417 58.000 -0.069 0.000 1.268 2155 F CB 0.049 39.008 39.000 -0.069 0.000 1.009 2155 F HN 0.078 nan 8.300 nan 0.000 0.486 2156 E N 0.880 121.183 120.200 0.172 0.000 2.201 2156 E HA 0.234 4.584 4.350 -0.001 0.000 0.272 2156 E C 0.294 176.927 176.600 0.055 0.000 1.228 2156 E CA 0.209 56.670 56.400 0.102 0.000 1.305 2156 E CB 0.069 29.846 29.700 0.128 0.000 1.381 2156 E HN 0.461 nan 8.360 nan 0.000 0.475 2157 L N -0.759 120.472 121.223 0.014 0.000 3.217 2157 L HA 0.132 4.472 4.340 -0.001 0.000 0.288 2157 L C 1.754 178.650 176.870 0.042 0.000 1.202 2157 L CA 0.044 54.928 54.840 0.074 0.000 1.027 2157 L CB 0.446 42.593 42.059 0.146 0.000 1.427 2157 L HN 0.015 nan 8.230 nan 0.000 0.600 2158 S N 0.210 115.872 115.700 -0.064 0.000 2.402 2158 S HA -0.181 4.288 4.470 -0.001 0.000 0.233 2158 S C 2.066 176.634 174.600 -0.053 0.000 1.030 2158 S CA 1.991 60.133 58.200 -0.096 0.000 1.003 2158 S CB -0.045 63.035 63.200 -0.199 0.000 0.813 2158 S HN 0.479 nan 8.310 nan 0.000 0.477 2159 S N 0.561 116.232 115.700 -0.049 0.000 2.395 2159 S HA 0.016 4.486 4.470 -0.001 0.000 0.225 2159 S C 1.891 176.428 174.600 -0.105 0.000 1.027 2159 S CA 0.858 59.023 58.200 -0.059 0.000 0.965 2159 S CB -0.132 63.041 63.200 -0.045 0.000 0.812 2159 S HN 0.388 nan 8.310 nan 0.000 0.482 2160 V N 0.148 119.962 119.914 -0.166 0.000 2.500 2160 V HA 0.123 4.242 4.120 -0.001 0.000 0.243 2160 V C 1.499 177.252 176.094 -0.569 0.000 1.039 2160 V CA 1.302 63.357 62.300 -0.408 0.000 1.053 2160 V CB -0.644 30.821 31.823 -0.596 0.000 0.695 2160 V HN 0.429 nan 8.190 nan 0.000 0.463 2161 F N 0.058 119.974 119.950 -0.057 0.000 2.653 2161 F HA 0.628 5.154 4.527 -0.001 0.000 0.288 2161 F C 1.440 177.205 175.800 -0.058 0.000 1.121 2161 F CA 0.642 58.607 58.000 -0.057 0.000 1.384 2161 F CB -0.012 38.948 39.000 -0.065 0.000 1.115 2161 F HN 0.295 nan 8.300 nan 0.000 0.599 2162 G N 0.898 109.756 108.800 0.097 0.000 2.582 2162 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.222 2162 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.222 2162 G C 0.133 175.033 174.900 0.000 0.000 1.311 2162 G CA -0.066 45.046 45.100 0.021 0.000 0.915 2162 G HN 0.074 nan 8.290 nan 0.000 0.528 2163 N N -0.013 118.671 118.700 -0.027 0.000 2.135 2163 N HA 0.011 4.750 4.740 -0.001 0.000 0.186 2163 N C 1.754 177.234 175.510 -0.049 0.000 1.027 2163 N CA 1.689 54.705 53.050 -0.058 0.000 0.849 2163 N CB -0.197 38.259 38.487 -0.052 0.000 1.002 2163 N HN 0.500 nan 8.380 nan 0.000 0.425 2164 D N 0.042 120.427 120.400 -0.025 0.000 2.144 2164 D HA -0.043 4.596 4.640 -0.001 0.000 0.200 2164 D C 1.885 178.168 176.300 -0.028 0.000 0.978 2164 D CA 0.533 54.520 54.000 -0.021 0.000 0.833 2164 D CB -0.151 40.645 40.800 -0.007 0.000 0.961 2164 D HN 0.203 nan 8.370 nan 0.000 0.470 2165 I N 0.534 121.088 120.570 -0.027 0.000 2.090 2165 I HA -0.245 3.925 4.170 -0.001 0.000 0.236 2165 I C 2.584 178.641 176.117 -0.099 0.000 1.064 2165 I CA 0.734 61.995 61.300 -0.065 0.000 1.324 2165 I CB -0.867 37.087 38.000 -0.077 0.000 1.044 2165 I HN -0.134 nan 8.210 nan 0.000 0.399 2166 V N 0.623 120.478 119.914 -0.098 0.000 2.250 2166 V HA -0.426 3.693 4.120 -0.001 0.000 0.250 2166 V C 2.510 178.534 176.094 -0.118 0.000 1.060 2166 V CA 2.649 64.868 62.300 -0.135 0.000 1.030 2166 V CB -0.946 30.784 31.823 -0.155 0.000 0.643 2166 V HN 0.593 nan 8.190 nan 0.000 0.445 2167 M N -0.275 119.269 119.600 -0.093 0.000 2.192 2167 M HA -0.297 4.182 4.480 -0.001 0.000 0.259 2167 M C 2.122 178.403 176.300 -0.033 0.000 1.071 2167 M CA 2.076 57.339 55.300 -0.061 0.000 1.082 2167 M CB -0.207 32.366 32.600 -0.046 0.000 1.373 2167 M HN 0.310 nan 8.290 nan 0.000 0.408 2168 K N -0.055 120.327 120.400 -0.030 0.000 2.128 2168 K HA 0.055 4.375 4.320 -0.001 0.000 0.202 2168 K C 1.881 178.502 176.600 0.035 0.000 1.050 2168 K CA 0.776 57.067 56.287 0.008 0.000 0.966 2168 K CB 0.012 32.521 32.500 0.015 0.000 0.759 2168 K HN 0.273 nan 8.250 nan 0.000 0.454 2169 I N 1.877 122.428 120.570 -0.032 0.000 2.236 2169 I HA -0.308 3.862 4.170 -0.001 0.000 0.249 2169 I C 2.317 178.437 176.117 0.006 0.000 1.102 2169 I CA 1.670 62.916 61.300 -0.089 0.000 1.365 2169 I CB -0.935 36.852 38.000 -0.355 0.000 1.051 2169 I HN 0.263 nan 8.210 nan 0.000 0.420 2170 Q N 0.676 120.461 119.800 -0.025 0.000 2.437 2170 Q HA -0.175 4.164 4.340 -0.001 0.000 0.210 2170 Q C 2.035 178.098 176.000 0.106 0.000 0.972 2170 Q CA 1.440 57.245 55.803 0.003 0.000 0.903 2170 Q CB 0.008 28.727 28.738 -0.031 0.000 0.967 2170 Q HN 0.435 nan 8.270 nan 0.000 0.486 2171 K N -1.503 118.965 120.400 0.113 0.000 2.425 2171 K HA 0.225 4.544 4.320 -0.001 0.000 0.201 2171 K C 1.277 177.926 176.600 0.081 0.000 1.128 2171 K CA 0.061 56.396 56.287 0.081 0.000 1.000 2171 K CB 0.379 32.901 32.500 0.037 0.000 0.961 2171 K HN 0.140 nan 8.250 nan 0.000 0.555 2172 I N 0.539 121.209 120.570 0.167 0.000 2.233 2172 I HA -0.248 3.921 4.170 -0.001 0.000 0.243 2172 I C 2.043 178.269 176.117 0.182 0.000 1.093 2172 I CA 1.187 62.576 61.300 0.149 0.000 1.380 2172 I CB -0.299 37.877 38.000 0.293 0.000 1.067 2172 I HN 0.183 nan 8.210 nan 0.000 0.413 2173 Y N 2.406 122.868 120.300 0.270 0.000 2.114 2173 Y HA -0.360 4.190 4.550 -0.001 0.000 0.282 2173 Y C 2.412 178.359 175.900 0.079 0.000 1.165 2173 Y CA 2.012 60.249 58.100 0.228 0.000 1.148 2173 Y CB -0.271 38.352 38.460 0.271 0.000 0.972 2173 Y HN 0.205 nan 8.280 nan 0.000 0.504 2174 N N 0.432 119.278 118.700 0.243 0.000 2.142 2174 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 2174 N C 1.700 177.203 175.510 -0.012 0.000 1.023 2174 N CA 1.786 54.897 53.050 0.101 0.000 0.852 2174 N CB -0.394 38.140 38.487 0.078 0.000 0.998 2174 N HN 0.584 nan 8.380 nan 0.000 0.424 2175 E N 0.451 120.592 120.200 -0.099 0.000 2.028 2175 E HA -0.034 4.315 4.350 -0.001 0.000 0.191 2175 E C 1.981 178.345 176.600 -0.394 0.000 0.988 2175 E CA 1.043 57.247 56.400 -0.325 0.000 0.799 2175 E CB -0.019 29.365 29.700 -0.526 0.000 0.755 2175 E HN 0.191 nan 8.360 nan 0.000 0.447 2176 S N 0.892 116.422 115.700 -0.284 0.000 2.359 2176 S HA -0.181 4.288 4.470 -0.001 0.000 0.223 2176 S C 2.030 176.562 174.600 -0.113 0.000 1.039 2176 S CA 1.139 59.216 58.200 -0.205 0.000 1.042 2176 S CB -0.217 62.890 63.200 -0.155 0.000 0.915 2176 S HN 0.215 nan 8.310 nan 0.000 0.439 2177 I N -0.066 120.405 120.570 -0.164 0.000 2.617 2177 I HA -0.065 4.105 4.170 -0.001 0.000 0.256 2177 I C 2.041 178.183 176.117 0.042 0.000 1.167 2177 I CA 0.565 61.783 61.300 -0.137 0.000 1.469 2177 I CB -0.262 37.544 38.000 -0.322 0.000 1.098 2177 I HN 0.183 nan 8.210 nan 0.000 0.436 2178 F N 1.885 121.792 119.950 -0.073 0.000 2.095 2178 F HA -0.251 4.276 4.527 -0.001 0.000 0.298 2178 F C 2.145 178.083 175.800 0.229 0.000 1.104 2178 F CA 1.639 59.675 58.000 0.059 0.000 1.232 2178 F CB -0.476 38.572 39.000 0.080 0.000 0.987 2178 F HN -0.049 nan 8.300 nan 0.000 0.475 2179 F N 0.413 120.297 119.950 -0.109 0.000 2.234 2179 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 2179 F C 2.576 178.291 175.800 -0.141 0.000 1.087 2179 F CA 1.435 59.316 58.000 -0.198 0.000 1.340 2179 F CB -1.828 37.093 39.000 -0.132 0.000 1.031 2179 F HN -0.084 nan 8.300 nan 0.000 0.500 2180 T N 0.099 114.722 114.554 0.114 0.000 2.684 2180 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 2180 T C 2.345 177.042 174.700 -0.004 0.000 1.036 2180 T CA 1.577 63.705 62.100 0.046 0.000 1.148 2180 T CB -0.676 68.174 68.868 -0.031 0.000 0.863 2180 T HN 0.061 nan 8.240 nan 0.000 0.436 2181 V N 1.733 121.635 119.914 -0.021 0.000 2.307 2181 V HA -0.118 4.001 4.120 -0.001 0.000 0.245 2181 V C 2.539 178.608 176.094 -0.041 0.000 1.045 2181 V CA 1.442 63.726 62.300 -0.026 0.000 1.024 2181 V CB -0.890 30.932 31.823 -0.002 0.000 0.651 2181 V HN 0.430 nan 8.190 nan 0.000 0.449 2182 L N 0.767 121.906 121.223 -0.139 0.000 2.013 2182 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 2182 L C 2.731 179.578 176.870 -0.038 0.000 1.073 2182 L CA 1.931 56.683 54.840 -0.147 0.000 0.753 2182 L CB -1.424 40.435 42.059 -0.333 0.000 0.890 2182 L HN 0.482 nan 8.230 nan 0.000 0.432 2183 G N -0.919 107.850 108.800 -0.052 0.000 2.469 2183 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.220 2183 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.220 2183 G C 1.565 176.468 174.900 0.005 0.000 1.136 2183 G CA 0.381 45.468 45.100 -0.021 0.000 0.759 2183 G HN 0.306 nan 8.290 nan 0.000 0.562 2184 Q N -0.418 119.393 119.800 0.017 0.000 2.230 2184 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 2184 Q C 2.137 178.162 176.000 0.042 0.000 0.963 2184 Q CA 1.275 57.092 55.803 0.024 0.000 0.866 2184 Q CB -0.310 28.437 28.738 0.015 0.000 0.931 2184 Q HN 0.774 nan 8.270 nan 0.000 0.452 2185 H N 0.899 119.946 119.070 -0.039 0.000 2.321 2185 H HA -0.032 4.524 4.556 -0.001 0.000 0.300 2185 H C 1.945 177.257 175.328 -0.027 0.000 1.087 2185 H CA 1.479 57.507 56.048 -0.034 0.000 1.319 2185 H CB -0.190 29.542 29.762 -0.050 0.000 1.379 2185 H HN 0.094 nan 8.280 nan 0.000 0.501 2186 L N -0.212 120.959 121.223 -0.087 0.000 2.131 2186 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 2186 L C 2.137 178.945 176.870 -0.103 0.000 1.092 2186 L CA 1.745 56.510 54.840 -0.125 0.000 0.759 2186 L CB -0.394 41.638 42.059 -0.044 0.000 0.903 2186 L HN 0.409 nan 8.230 nan 0.000 0.435 2187 D N -0.139 120.226 120.400 -0.058 0.000 2.219 2187 D HA -0.152 4.487 4.640 -0.001 0.000 0.205 2187 D C 2.221 178.504 176.300 -0.028 0.000 0.970 2187 D CA 0.865 54.855 54.000 -0.016 0.000 0.851 2187 D CB 0.200 41.007 40.800 0.011 0.000 0.943 2187 D HN 0.228 nan 8.370 nan 0.000 0.488 2188 L N -0.531 120.639 121.223 -0.087 0.000 2.168 2188 L HA 0.114 4.454 4.340 -0.001 0.000 0.203 2188 L C 0.843 177.622 176.870 -0.151 0.000 1.078 2188 L CA 0.194 54.975 54.840 -0.099 0.000 0.780 2188 L CB -0.136 41.866 42.059 -0.095 0.000 0.939 2188 L HN -0.159 nan 8.230 nan 0.000 0.451 2189 S N 0.145 115.678 115.700 -0.278 0.000 2.437 2189 S HA 0.209 4.679 4.470 -0.001 0.000 0.304 2189 S C 0.075 174.596 174.600 -0.132 0.000 1.167 2189 S CA -0.278 57.766 58.200 -0.259 0.000 1.106 2189 S CB -0.877 62.061 63.200 -0.437 0.000 1.099 2189 S HN 0.235 nan 8.310 nan 0.000 0.524 2190 Y N 0.858 121.100 120.300 -0.098 0.000 2.397 2190 Y HA 0.523 5.072 4.550 -0.001 0.000 0.335 2190 Y C 0.782 176.665 175.900 -0.029 0.000 1.213 2190 Y CA -1.741 56.329 58.100 -0.049 0.000 1.391 2190 Y CB -0.472 37.901 38.460 -0.145 0.000 1.293 2190 Y HN 0.798 nan 8.280 nan 0.000 0.557 2191 F N -0.129 119.837 119.950 0.027 0.000 2.390 2191 F HA 0.493 5.019 4.527 -0.001 0.000 0.307 2191 F C 0.638 176.458 175.800 0.033 0.000 1.227 2191 F CA -0.853 57.158 58.000 0.019 0.000 1.179 2191 F CB -0.147 38.857 39.000 0.005 0.000 1.280 2191 F HN 1.142 nan 8.300 nan 0.000 0.548 2192 D N 0.217 120.632 120.400 0.024 0.000 2.485 2192 D HA 0.614 5.254 4.640 -0.001 0.000 0.256 2192 D C 1.142 177.476 176.300 0.056 0.000 1.141 2192 D CA 0.271 54.294 54.000 0.039 0.000 0.942 2192 D CB 0.345 41.161 40.800 0.028 0.000 1.003 2192 D HN 1.822 nan 8.370 nan 0.000 0.507 2193 L N 0.550 121.817 121.223 0.074 0.000 2.010 2193 L HA -0.018 4.321 4.340 -0.001 0.000 0.219 2193 L C 3.237 180.223 176.870 0.193 0.000 1.077 2193 L CA 3.690 58.585 54.840 0.091 0.000 0.773 2193 L CB -1.767 40.359 42.059 0.113 0.000 0.892 2193 L HN 0.873 nan 8.230 nan 0.000 0.436 2194 S N -0.109 115.674 115.700 0.138 0.000 2.372 2194 S HA -0.076 4.394 4.470 -0.001 0.000 0.227 2194 S C 1.875 176.528 174.600 0.089 0.000 1.044 2194 S CA 2.655 60.916 58.200 0.103 0.000 1.050 2194 S CB -0.788 62.454 63.200 0.070 0.000 0.901 2194 S HN 1.496 nan 8.310 nan 0.000 0.447 2195 K N 0.617 121.063 120.400 0.077 0.000 2.535 2195 K HA 0.780 5.099 4.320 -0.001 0.000 0.242 2195 K C 0.266 176.910 176.600 0.073 0.000 1.210 2195 K CA 0.197 56.520 56.287 0.060 0.000 1.178 2195 K CB -0.402 32.122 32.500 0.040 0.000 1.778 2195 K HN 0.879 nan 8.250 nan 0.000 0.372 2196 A N 0.419 123.311 122.820 0.120 0.000 2.708 2196 A HA 0.223 4.543 4.320 -0.001 0.000 0.293 2196 A C 1.336 178.997 177.584 0.129 0.000 1.303 2196 A CA 0.241 52.366 52.037 0.147 0.000 0.949 2196 A CB -0.106 19.099 19.000 0.343 0.000 1.121 2196 A HN 0.606 nan 8.150 nan 0.000 0.542 2197 D N 0.849 121.294 120.400 0.075 0.000 2.172 2197 D HA -0.145 4.494 4.640 -0.001 0.000 0.196 2197 D C 1.129 177.460 176.300 0.052 0.000 0.999 2197 D CA 2.196 56.226 54.000 0.051 0.000 0.856 2197 D CB 0.236 41.056 40.800 0.033 0.000 0.934 2197 D HN 0.488 nan 8.370 nan 0.000 0.453 2198 K N -0.985 119.446 120.400 0.052 0.000 3.413 2198 K HA 0.273 4.592 4.320 -0.001 0.000 0.180 2198 K C 0.819 177.448 176.600 0.048 0.000 1.038 2198 K CA -0.079 56.240 56.287 0.054 0.000 0.864 2198 K CB -0.986 31.548 32.500 0.056 0.000 0.739 2198 K HN 0.026 nan 8.250 nan 0.000 0.477 2199 I N 1.300 121.881 120.570 0.018 0.000 2.423 2199 I HA -0.250 3.920 4.170 -0.001 0.000 0.254 2199 I C 2.735 178.849 176.117 -0.006 0.000 1.151 2199 I CA 2.415 63.701 61.300 -0.023 0.000 1.421 2199 I CB 0.147 38.074 38.000 -0.121 0.000 1.079 2199 I HN 0.631 nan 8.210 nan 0.000 0.431 2200 S N -0.395 115.309 115.700 0.006 0.000 2.387 2200 S HA -0.327 4.143 4.470 -0.001 0.000 0.230 2200 S C 2.066 176.829 174.600 0.271 0.000 1.035 2200 S CA 1.866 60.109 58.200 0.071 0.000 1.014 2200 S CB -0.674 62.632 63.200 0.176 0.000 0.836 2200 S HN 0.658 nan 8.310 nan 0.000 0.466 2201 E N 0.742 121.075 120.200 0.222 0.000 2.106 2201 E HA -0.085 4.264 4.350 -0.001 0.000 0.192 2201 E C 2.459 179.163 176.600 0.174 0.000 0.984 2201 E CA 0.552 57.093 56.400 0.233 0.000 0.806 2201 E CB -0.083 29.701 29.700 0.140 0.000 0.750 2201 E HN 0.583 nan 8.360 nan 0.000 0.458 2202 R N -0.548 120.014 120.500 0.104 0.000 2.073 2202 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 2202 R C 2.263 178.591 176.300 0.046 0.000 1.134 2202 R CA 1.608 57.743 56.100 0.059 0.000 0.952 2202 R CB -0.439 29.878 30.300 0.029 0.000 0.850 2202 R HN 0.239 nan 8.270 nan 0.000 0.433 2203 Y N 0.713 120.948 120.300 -0.109 0.000 1.979 2203 Y HA -0.321 4.228 4.550 -0.001 0.000 0.262 2203 Y C 1.867 177.667 175.900 -0.166 0.000 1.142 2203 Y CA 2.128 60.083 58.100 -0.241 0.000 1.096 2203 Y CB -0.945 37.179 38.460 -0.559 0.000 0.958 2203 Y HN 0.000 nan 8.280 nan 0.000 0.484 2204 F N -0.040 119.909 119.950 -0.001 0.000 2.250 2204 F HA -0.217 4.309 4.527 -0.001 0.000 0.301 2204 F C 2.618 178.385 175.800 -0.055 0.000 1.077 2204 F CA 1.590 59.555 58.000 -0.058 0.000 1.348 2204 F CB -1.024 38.092 39.000 0.193 0.000 1.040 2204 F HN 0.023 nan 8.300 nan 0.000 0.509 2205 S N 0.128 115.917 115.700 0.148 0.000 2.345 2205 S HA -0.210 4.259 4.470 -0.001 0.000 0.219 2205 S C 2.119 176.709 174.600 -0.016 0.000 1.031 2205 S CA 1.202 59.454 58.200 0.087 0.000 0.984 2205 S CB -0.532 62.711 63.200 0.072 0.000 0.874 2205 S HN 0.434 nan 8.310 nan 0.000 0.451 2206 M N 1.633 121.195 119.600 -0.064 0.000 2.089 2206 M HA -0.173 4.307 4.480 -0.001 0.000 0.257 2206 M C 1.980 178.203 176.300 -0.128 0.000 1.071 2206 M CA 1.720 56.963 55.300 -0.096 0.000 1.096 2206 M CB -0.479 32.059 32.600 -0.102 0.000 1.330 2206 M HN 0.158 nan 8.290 nan 0.000 0.403 2207 V N 0.928 120.691 119.914 -0.253 0.000 2.255 2207 V HA -0.327 3.792 4.120 -0.001 0.000 0.247 2207 V C 2.358 178.396 176.094 -0.094 0.000 1.051 2207 V CA 2.541 64.692 62.300 -0.248 0.000 1.018 2207 V CB -0.976 30.586 31.823 -0.435 0.000 0.641 2207 V HN 0.661 nan 8.190 nan 0.000 0.445 2208 E N -0.865 119.281 120.200 -0.089 0.000 2.219 2208 E HA -0.267 4.083 4.350 -0.001 0.000 0.198 2208 E C 2.094 178.695 176.600 0.001 0.000 0.998 2208 E CA 1.683 58.048 56.400 -0.058 0.000 0.818 2208 E CB -0.060 29.638 29.700 -0.003 0.000 0.741 2208 E HN 0.610 nan 8.360 nan 0.000 0.477 2209 M N -0.008 119.589 119.600 -0.004 0.000 2.412 2209 M HA -0.001 4.478 4.480 -0.001 0.000 0.263 2209 M C 2.330 178.671 176.300 0.069 0.000 1.122 2209 M CA 0.972 56.285 55.300 0.022 0.000 1.179 2209 M CB 0.082 32.648 32.600 -0.057 0.000 1.335 2209 M HN -0.036 nan 8.290 nan 0.000 0.465 2210 K N -0.695 119.736 120.400 0.051 0.000 2.432 2210 K HA 0.051 4.371 4.320 -0.001 0.000 0.196 2210 K C 0.851 177.578 176.600 0.212 0.000 1.038 2210 K CA 1.329 57.672 56.287 0.093 0.000 0.986 2210 K CB 0.150 32.682 32.500 0.053 0.000 0.782 2210 K HN 0.121 nan 8.250 nan 0.000 0.485 2211 T N -0.608 114.055 114.554 0.182 0.000 3.358 2211 T HA 0.058 4.408 4.350 -0.001 0.000 0.263 2211 T C 1.640 176.351 174.700 0.018 0.000 0.998 2211 T CA 0.228 62.423 62.100 0.157 0.000 1.130 2211 T CB 0.040 68.982 68.868 0.124 0.000 1.165 2211 T HN 0.093 nan 8.240 nan 0.000 0.426 2212 S N 1.249 117.022 115.700 0.120 0.000 2.420 2212 S HA -0.111 4.358 4.470 -0.001 0.000 0.237 2212 S C 1.847 176.674 174.600 0.377 0.000 1.023 2212 S CA 1.411 59.783 58.200 0.287 0.000 0.991 2212 S CB -0.047 63.322 63.200 0.281 0.000 0.792 2212 S HN 0.374 nan 8.310 nan 0.000 0.488 2213 R N -0.569 120.030 120.500 0.165 0.000 2.517 2213 R HA 0.107 4.446 4.340 -0.001 0.000 0.265 2213 R C 1.700 178.054 176.300 0.089 0.000 0.921 2213 R CA 0.058 56.263 56.100 0.175 0.000 1.054 2213 R CB 0.069 30.251 30.300 -0.197 0.000 1.340 2213 R HN 0.572 nan 8.270 nan 0.000 0.551 2214 Y N -1.124 119.158 120.300 -0.031 0.000 2.510 2214 Y HA 0.384 4.934 4.550 -0.001 0.000 0.273 2214 Y C 1.332 177.135 175.900 -0.162 0.000 1.119 2214 Y CA 0.695 58.730 58.100 -0.110 0.000 1.286 2214 Y CB 0.076 38.470 38.460 -0.110 0.000 1.061 2214 Y HN -0.200 nan 8.280 nan 0.000 0.542 2215 T N 0.154 114.128 114.554 -0.968 0.000 2.851 2215 T HA 0.038 4.388 4.350 -0.001 0.000 0.262 2215 T C 0.886 175.070 174.700 -0.861 0.000 1.043 2215 T CA 1.737 63.188 62.100 -1.082 0.000 1.140 2215 T CB -0.250 67.849 68.868 -1.283 0.000 0.872 2215 T HN 0.341 nan 8.240 nan 0.000 0.446 2216 F N -1.376 118.491 119.950 -0.139 0.000 2.537 2216 F HA 0.367 4.893 4.527 -0.001 0.000 0.275 2216 F C 1.812 177.626 175.800 0.024 0.000 0.947 2216 F CA -0.595 57.370 58.000 -0.059 0.000 1.238 2216 F CB -0.359 38.616 39.000 -0.042 0.000 1.071 2216 F HN 0.057 nan 8.300 nan 0.000 0.749 2217 Y N -0.149 120.272 120.300 0.201 0.000 2.200 2217 Y HA -0.251 4.299 4.550 -0.001 0.000 0.290 2217 Y C 2.634 178.619 175.900 0.141 0.000 1.137 2217 Y CA 1.568 59.824 58.100 0.259 0.000 1.163 2217 Y CB -0.345 38.196 38.460 0.136 0.000 0.988 2217 Y HN 0.043 nan 8.280 nan 0.000 0.518 2218 M N 0.539 120.177 119.600 0.062 0.000 2.077 2218 M HA -0.080 4.399 4.480 -0.001 0.000 0.261 2218 M C -1.121 174.864 176.300 -0.525 0.000 1.070 2218 M CA 1.545 56.647 55.300 -0.331 0.000 1.125 2218 M CB -0.978 31.380 32.600 -0.403 0.000 1.339 2218 M HN -0.020 nan 8.290 nan 0.000 0.409 2219 P HA -0.127 nan 4.420 nan 0.000 0.213 2219 P C 1.756 178.983 177.300 -0.121 0.000 1.170 2219 P CA 1.465 64.432 63.100 -0.221 0.000 0.898 2219 P CB -0.278 31.300 31.700 -0.202 0.000 0.787 2220 V N -1.469 118.396 119.914 -0.082 0.000 2.324 2220 V HA -0.243 3.877 4.120 -0.001 0.000 0.250 2220 V C 2.278 178.304 176.094 -0.113 0.000 1.060 2220 V CA 1.861 64.097 62.300 -0.107 0.000 1.042 2220 V CB -1.387 30.394 31.823 -0.070 0.000 0.650 2220 V HN -0.027 nan 8.190 nan 0.000 0.450 2221 F N -1.529 118.402 119.950 -0.031 0.000 2.367 2221 F HA 0.033 4.559 4.527 -0.001 0.000 0.298 2221 F C 2.083 177.959 175.800 0.126 0.000 1.094 2221 F CA 0.884 58.906 58.000 0.038 0.000 1.409 2221 F CB -0.306 38.724 39.000 0.050 0.000 1.064 2221 F HN 0.073 nan 8.300 nan 0.000 0.528 2222 F N 0.184 120.203 119.950 0.116 0.000 2.102 2222 F HA -0.084 4.442 4.527 -0.001 0.000 0.298 2222 F C 2.641 178.388 175.800 -0.088 0.000 1.105 2222 F CA 1.154 59.157 58.000 0.005 0.000 1.239 2222 F CB -1.669 37.325 39.000 -0.011 0.000 0.991 2222 F HN -0.050 nan 8.300 nan 0.000 0.474 2223 G N -0.270 108.579 108.800 0.082 0.000 2.422 2223 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.218 2223 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.218 2223 G C 1.865 176.714 174.900 -0.085 0.000 1.140 2223 G CA 0.399 45.465 45.100 -0.055 0.000 0.775 2223 G HN 0.328 nan 8.290 nan 0.000 0.545 2224 L N 0.402 121.571 121.223 -0.090 0.000 2.141 2224 L HA -0.052 4.287 4.340 -0.001 0.000 0.209 2224 L C 3.103 179.941 176.870 -0.054 0.000 1.094 2224 L CA 1.236 56.013 54.840 -0.104 0.000 0.763 2224 L CB -0.383 41.546 42.059 -0.217 0.000 0.908 2224 L HN 0.166 nan 8.230 nan 0.000 0.437 2225 T N 0.036 114.577 114.554 -0.021 0.000 2.698 2225 T HA -0.098 4.251 4.350 -0.001 0.000 0.260 2225 T C 1.920 176.533 174.700 -0.144 0.000 1.044 2225 T CA 1.076 63.151 62.100 -0.042 0.000 1.149 2225 T CB -0.241 68.619 68.868 -0.013 0.000 0.864 2225 T HN 0.159 nan 8.240 nan 0.000 0.419 2226 L N 1.820 122.894 121.223 -0.249 0.000 2.081 2226 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 2226 L C 2.906 179.677 176.870 -0.165 0.000 1.080 2226 L CA 1.555 56.140 54.840 -0.425 0.000 0.754 2226 L CB -0.938 40.818 42.059 -0.505 0.000 0.893 2226 L HN 0.386 nan 8.230 nan 0.000 0.433 2227 S N -0.222 115.414 115.700 -0.106 0.000 2.368 2227 S HA -0.292 4.177 4.470 -0.001 0.000 0.225 2227 S C 1.347 175.930 174.600 -0.027 0.000 1.030 2227 S CA 1.124 59.293 58.200 -0.053 0.000 0.999 2227 S CB -0.248 62.916 63.200 -0.060 0.000 0.844 2227 S HN 0.589 nan 8.310 nan 0.000 0.459 2228 E N -0.158 120.022 120.200 -0.034 0.000 3.070 2228 E HA -0.240 4.110 4.350 -0.001 0.000 0.285 2228 E C 0.082 176.677 176.600 -0.008 0.000 0.972 2228 E CA 0.476 56.868 56.400 -0.013 0.000 0.915 2228 E CB -2.066 27.636 29.700 0.003 0.000 1.466 2228 E HN 0.833 nan 8.360 nan 0.000 0.432 2229 I N 0.497 121.058 120.570 -0.016 0.000 3.141 2229 I HA -0.121 4.048 4.170 -0.001 0.000 0.295 2229 I C 1.117 177.230 176.117 -0.006 0.000 1.252 2229 I CA 1.605 62.898 61.300 -0.012 0.000 1.406 2229 I CB 0.292 38.283 38.000 -0.015 0.000 1.333 2229 I HN 0.319 nan 8.210 nan 0.000 0.594 2230 Q N 6.501 126.298 119.800 -0.005 0.000 2.903 2230 Q HA 0.420 4.760 4.340 -0.001 0.000 0.243 2230 Q C 0.431 176.427 176.000 -0.007 0.000 1.366 2230 Q CA 0.444 56.244 55.803 -0.004 0.000 0.898 2230 Q CB -1.381 27.354 28.738 -0.004 0.000 1.718 2230 Q HN 2.103 nan 8.270 nan 0.000 0.557 2231 V N -0.244 119.666 119.914 -0.006 0.000 6.244 2231 V HA -0.126 3.994 4.120 -0.001 0.000 0.295 2231 V C 0.427 176.518 176.094 -0.005 0.000 0.550 2231 V CA 0.885 63.184 62.300 -0.002 0.000 0.756 2231 V CB -2.243 29.581 31.823 0.002 0.000 0.665 2231 V HN 0.811 nan 8.190 nan 0.000 0.592 2232 S N 2.253 117.946 115.700 -0.012 0.000 2.835 2232 S HA 0.447 4.917 4.470 -0.001 0.000 0.194 2232 S C 1.511 176.105 174.600 -0.010 0.000 1.364 2232 S CA 0.301 58.492 58.200 -0.016 0.000 1.167 2232 S CB 0.846 64.028 63.200 -0.030 0.000 1.223 2232 S HN 1.779 nan 8.310 nan 0.000 0.512 2233 S N 2.254 117.958 115.700 0.006 0.000 2.359 2233 S HA -0.199 4.271 4.470 -0.001 0.000 0.224 2233 S C 2.220 176.831 174.600 0.019 0.000 1.035 2233 S CA 0.997 59.212 58.200 0.023 0.000 1.018 2233 S CB -0.623 62.597 63.200 0.033 0.000 0.876 2233 S HN 0.687 nan 8.310 nan 0.000 0.448 2234 A N 1.650 124.474 122.820 0.008 0.000 1.958 2234 A HA -0.221 4.098 4.320 -0.001 0.000 0.221 2234 A C 2.172 179.751 177.584 -0.008 0.000 1.178 2234 A CA 1.929 53.967 52.037 0.002 0.000 0.642 2234 A CB -0.923 18.075 19.000 -0.003 0.000 0.816 2234 A HN 0.643 nan 8.150 nan 0.000 0.453 2235 Q N -0.514 119.274 119.800 -0.021 0.000 2.291 2235 Q HA 0.373 4.712 4.340 -0.001 0.000 0.211 2235 Q C 1.433 177.401 176.000 -0.053 0.000 0.925 2235 Q CA 0.647 56.422 55.803 -0.046 0.000 0.949 2235 Q CB -0.589 28.113 28.738 -0.060 0.000 1.015 2235 Q HN 0.550 nan 8.270 nan 0.000 0.477 2236 L N -0.382 120.834 121.223 -0.012 0.000 1.982 2236 L HA -0.147 4.192 4.340 -0.001 0.000 0.206 2236 L C 1.891 178.768 176.870 0.011 0.000 1.078 2236 L CA 2.282 57.132 54.840 0.017 0.000 0.749 2236 L CB -1.778 40.338 42.059 0.095 0.000 0.894 2236 L HN 0.502 nan 8.230 nan 0.000 0.436 2237 N N 0.368 119.086 118.700 0.031 0.000 2.580 2237 N HA -0.157 4.583 4.740 -0.001 0.000 0.193 2237 N C 1.410 176.908 175.510 -0.020 0.000 1.075 2237 N CA 1.343 54.413 53.050 0.033 0.000 0.921 2237 N CB -0.459 38.044 38.487 0.027 0.000 0.950 2237 N HN 0.667 nan 8.380 nan 0.000 0.449 2238 L N 1.164 122.345 121.223 -0.070 0.000 1.993 2238 L HA 0.043 4.382 4.340 -0.001 0.000 0.206 2238 L C 1.824 178.582 176.870 -0.187 0.000 1.074 2238 L CA 1.269 56.032 54.840 -0.129 0.000 0.746 2238 L CB -0.882 41.087 42.059 -0.150 0.000 0.896 2238 L HN 0.315 nan 8.230 nan 0.000 0.435 2239 I N -2.361 118.049 120.570 -0.266 0.000 2.361 2239 I HA -0.225 3.944 4.170 -0.001 0.000 0.251 2239 I C 2.272 178.286 176.117 -0.171 0.000 1.133 2239 I CA 1.881 62.947 61.300 -0.389 0.000 1.413 2239 I CB -0.799 36.811 38.000 -0.650 0.000 1.073 2239 I HN 0.523 nan 8.210 nan 0.000 0.424 2240 E N 1.624 121.795 120.200 -0.048 0.000 2.110 2240 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 2240 E C 2.305 178.925 176.600 0.033 0.000 0.988 2240 E CA 1.221 57.651 56.400 0.050 0.000 0.804 2240 E CB -0.069 29.748 29.700 0.196 0.000 0.745 2240 E HN 0.683 nan 8.360 nan 0.000 0.458 2241 A N 0.698 123.508 122.820 -0.016 0.000 1.969 2241 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 2241 A C 2.057 179.614 177.584 -0.045 0.000 1.169 2241 A CA 0.900 52.918 52.037 -0.032 0.000 0.635 2241 A CB -0.418 18.524 19.000 -0.097 0.000 0.810 2241 A HN 0.268 nan 8.150 nan 0.000 0.445 2242 I N -0.218 120.283 120.570 -0.115 0.000 2.202 2242 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 2242 I C 2.297 178.352 176.117 -0.104 0.000 1.091 2242 I CA 1.117 62.343 61.300 -0.123 0.000 1.368 2242 I CB -0.318 37.600 38.000 -0.137 0.000 1.058 2242 I HN 0.273 nan 8.210 nan 0.000 0.410 2243 L N -0.588 120.540 121.223 -0.159 0.000 2.127 2243 L HA -0.267 4.073 4.340 -0.001 0.000 0.211 2243 L C 2.666 179.457 176.870 -0.132 0.000 1.089 2243 L CA 1.459 56.112 54.840 -0.311 0.000 0.757 2243 L CB -0.854 40.794 42.059 -0.685 0.000 0.899 2243 L HN 0.293 nan 8.230 nan 0.000 0.434 2244 Y N 1.391 121.681 120.300 -0.016 0.000 2.151 2244 Y HA -0.357 4.192 4.550 -0.001 0.000 0.284 2244 Y C 2.654 178.626 175.900 0.121 0.000 1.166 2244 Y CA 2.264 60.486 58.100 0.203 0.000 1.163 2244 Y CB 0.058 38.637 38.460 0.199 0.000 0.974 2244 Y HN 0.024 nan 8.280 nan 0.000 0.511 2245 K N -0.308 120.194 120.400 0.169 0.000 2.334 2245 K HA 0.094 4.413 4.320 -0.001 0.000 0.195 2245 K C 1.808 178.442 176.600 0.057 0.000 1.045 2245 K CA 0.574 56.950 56.287 0.148 0.000 1.004 2245 K CB -0.213 32.384 32.500 0.161 0.000 0.837 2245 K HN 0.391 nan 8.250 nan 0.000 0.510 2246 L N 0.211 121.328 121.223 -0.177 0.000 2.013 2246 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 2246 L C 2.332 178.955 176.870 -0.412 0.000 1.073 2246 L CA 1.807 56.362 54.840 -0.474 0.000 0.753 2246 L CB -0.844 40.481 42.059 -1.224 0.000 0.890 2246 L HN 0.510 nan 8.230 nan 0.000 0.432 2247 G N -0.971 107.610 108.800 -0.365 0.000 2.414 2247 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.215 2247 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.215 2247 G C 1.396 176.432 174.900 0.226 0.000 1.188 2247 G CA 0.756 45.924 45.100 0.114 0.000 0.783 2247 G HN 0.429 nan 8.290 nan 0.000 0.537 2248 E N -0.498 119.787 120.200 0.142 0.000 2.033 2248 E HA -0.231 4.119 4.350 -0.001 0.000 0.199 2248 E C 2.163 179.074 176.600 0.519 0.000 1.011 2248 E CA 1.270 57.840 56.400 0.284 0.000 0.815 2248 E CB -0.352 29.520 29.700 0.286 0.000 0.755 2248 E HN 0.278 nan 8.360 nan 0.000 0.451 2249 F N 0.539 120.699 119.950 0.350 0.000 2.161 2249 F HA -0.215 4.312 4.527 -0.001 0.000 0.300 2249 F C 1.948 177.967 175.800 0.365 0.000 1.089 2249 F CA 1.402 59.643 58.000 0.402 0.000 1.282 2249 F CB -0.931 38.187 39.000 0.196 0.000 1.010 2249 F HN 0.167 nan 8.300 nan 0.000 0.485 2250 Y N 0.573 120.991 120.300 0.196 0.000 2.070 2250 Y HA -0.301 4.248 4.550 -0.001 0.000 0.279 2250 Y C 2.866 178.864 175.900 0.163 0.000 1.134 2250 Y CA 2.458 60.631 58.100 0.122 0.000 1.113 2250 Y CB -0.757 37.861 38.460 0.262 0.000 0.981 2250 Y HN 0.102 nan 8.280 nan 0.000 0.487 2251 Q N 0.053 120.108 119.800 0.426 0.000 2.045 2251 Q HA -0.190 4.150 4.340 -0.001 0.000 0.206 2251 Q C 2.266 178.411 176.000 0.242 0.000 0.991 2251 Q CA 2.362 58.348 55.803 0.305 0.000 0.851 2251 Q CB -0.898 27.986 28.738 0.243 0.000 0.911 2251 Q HN 0.420 nan 8.270 nan 0.000 0.418 2252 V N 0.680 120.781 119.914 0.312 0.000 2.363 2252 V HA -0.353 3.766 4.120 -0.001 0.000 0.254 2252 V C 2.351 178.436 176.094 -0.015 0.000 1.074 2252 V CA 2.422 64.831 62.300 0.180 0.000 1.069 2252 V CB -0.846 31.012 31.823 0.058 0.000 0.659 2252 V HN 0.611 nan 8.190 nan 0.000 0.455 2253 H N -0.148 118.894 119.070 -0.048 0.000 2.284 2253 H HA -0.160 4.395 4.556 -0.001 0.000 0.304 2253 H C 2.495 177.685 175.328 -0.230 0.000 1.069 2253 H CA 1.593 57.474 56.048 -0.278 0.000 1.327 2253 H CB -0.167 29.485 29.762 -0.184 0.000 1.387 2253 H HN 0.435 nan 8.280 nan 0.000 0.498 2254 N N 0.598 119.098 118.700 -0.334 0.000 2.122 2254 N HA -0.227 4.513 4.740 -0.001 0.000 0.199 2254 N C 1.197 176.628 175.510 -0.132 0.000 1.007 2254 N CA 2.335 55.237 53.050 -0.248 0.000 0.892 2254 N CB -0.311 38.162 38.487 -0.023 0.000 1.050 2254 N HN 0.431 nan 8.380 nan 0.000 0.468 2255 D N -0.355 120.027 120.400 -0.030 0.000 2.178 2255 D HA -0.062 4.577 4.640 -0.001 0.000 0.201 2255 D C 1.945 178.251 176.300 0.010 0.000 0.980 2255 D CA 0.504 54.530 54.000 0.044 0.000 0.842 2255 D CB 0.013 40.895 40.800 0.138 0.000 0.948 2255 D HN 0.150 nan 8.370 nan 0.000 0.472 2256 V N 0.057 119.894 119.914 -0.130 0.000 2.599 2256 V HA -0.120 3.999 4.120 -0.001 0.000 0.245 2256 V C 2.245 178.258 176.094 -0.136 0.000 1.046 2256 V CA 1.108 63.340 62.300 -0.112 0.000 1.065 2256 V CB -0.228 31.316 31.823 -0.464 0.000 0.703 2256 V HN 0.139 nan 8.190 nan 0.000 0.464 2257 S N 0.018 115.565 115.700 -0.254 0.000 2.359 2257 S HA -0.319 4.151 4.470 -0.001 0.000 0.223 2257 S C 1.864 176.459 174.600 -0.008 0.000 1.039 2257 S CA 1.981 60.100 58.200 -0.136 0.000 1.042 2257 S CB -0.561 62.511 63.200 -0.215 0.000 0.915 2257 S HN 0.660 nan 8.310 nan 0.000 0.439 2258 D N 0.140 120.547 120.400 0.011 0.000 2.106 2258 D HA -0.191 4.449 4.640 -0.001 0.000 0.191 2258 D C 1.856 178.213 176.300 0.095 0.000 0.997 2258 D CA 1.525 55.569 54.000 0.074 0.000 0.834 2258 D CB -0.182 40.670 40.800 0.086 0.000 0.956 2258 D HN 0.517 nan 8.370 nan 0.000 0.448 2259 Y N 1.039 121.339 120.300 -0.001 0.000 2.384 2259 Y HA -0.145 4.404 4.550 -0.001 0.000 0.289 2259 Y C 1.728 177.611 175.900 -0.028 0.000 1.152 2259 Y CA 0.909 59.031 58.100 0.036 0.000 1.258 2259 Y CB -0.285 38.219 38.460 0.073 0.000 0.979 2259 Y HN 0.033 nan 8.280 nan 0.000 0.549 2260 L N -2.104 118.831 121.223 -0.478 0.000 2.515 2260 L HA 0.229 4.569 4.340 -0.001 0.000 0.223 2260 L C 0.575 177.026 176.870 -0.699 0.000 1.079 2260 L CA 1.080 55.397 54.840 -0.870 0.000 0.857 2260 L CB -0.133 41.378 42.059 -0.914 0.000 1.050 2260 L HN 0.124 nan 8.230 nan 0.000 0.476 2261 F N -2.285 117.576 119.950 -0.149 0.000 2.533 2261 F HA 0.294 4.820 4.527 -0.001 0.000 0.313 2261 F C 0.955 176.722 175.800 -0.055 0.000 0.834 2261 F CA -0.842 57.103 58.000 -0.092 0.000 1.061 2261 F CB -0.369 38.584 39.000 -0.078 0.000 0.915 2261 F HN -0.189 nan 8.300 nan 0.000 0.693 2262 N N 2.512 121.309 118.700 0.161 0.000 2.440 2262 N HA -0.017 4.722 4.740 -0.001 0.000 0.265 2262 N C -1.344 174.208 175.510 0.069 0.000 1.239 2262 N CA 0.825 53.937 53.050 0.103 0.000 0.909 2262 N CB 0.329 38.873 38.487 0.094 0.000 1.066 2262 N HN 0.065 nan 8.380 nan 0.000 0.474 2263 D N 1.902 122.338 120.400 0.061 0.000 2.404 2263 D HA 0.252 4.891 4.640 -0.001 0.000 0.267 2263 D C -0.283 176.040 176.300 0.038 0.000 1.194 2263 D CA -0.131 53.894 54.000 0.042 0.000 0.910 2263 D CB 0.743 41.566 40.800 0.038 0.000 1.090 2263 D HN 0.560 nan 8.370 nan 0.000 0.511 2264 S N -0.506 115.213 115.700 0.032 0.000 2.660 2264 S HA 0.381 4.851 4.470 -0.001 0.000 0.264 2264 S C 0.354 174.964 174.600 0.017 0.000 1.131 2264 S CA -0.157 58.060 58.200 0.030 0.000 0.846 2264 S CB 0.167 63.394 63.200 0.045 0.000 1.151 2264 S HN 0.166 nan 8.310 nan 0.000 0.486 2265 N N -0.280 118.430 118.700 0.016 0.000 2.353 2265 N HA 0.494 5.234 4.740 -0.001 0.000 0.185 2265 N C 1.493 177.012 175.510 0.015 0.000 1.098 2265 N CA 0.741 53.794 53.050 0.005 0.000 0.872 2265 N CB -0.287 38.203 38.487 0.005 0.000 0.970 2265 N HN 1.324 nan 8.380 nan 0.000 0.467 2266 A N 0.905 123.745 122.820 0.033 0.000 2.261 2266 A HA 0.147 4.466 4.320 -0.001 0.000 0.208 2266 A C 0.874 178.488 177.584 0.049 0.000 1.223 2266 A CA 0.573 52.639 52.037 0.047 0.000 0.833 2266 A CB -0.525 18.513 19.000 0.064 0.000 0.830 2266 A HN 0.747 nan 8.150 nan 0.000 0.483 2267 D N -1.168 119.252 120.400 0.032 0.000 2.506 2267 D HA 0.082 4.721 4.640 -0.001 0.000 0.272 2267 D C 0.295 176.612 176.300 0.029 0.000 1.214 2267 D CA -0.250 53.774 54.000 0.040 0.000 1.067 2267 D CB 0.269 41.089 40.800 0.034 0.000 1.117 2267 D HN -0.013 nan 8.370 nan 0.000 0.578 2268 D N -0.555 119.875 120.400 0.049 0.000 2.103 2268 D HA -0.144 4.496 4.640 -0.001 0.000 0.190 2268 D C 1.891 178.174 176.300 -0.029 0.000 0.997 2268 D CA 1.898 55.932 54.000 0.056 0.000 0.833 2268 D CB -0.050 40.814 40.800 0.108 0.000 0.961 2268 D HN 0.434 nan 8.370 nan 0.000 0.447 2269 I N -0.322 120.177 120.570 -0.119 0.000 2.163 2269 I HA -0.263 3.907 4.170 -0.001 0.000 0.240 2269 I C 2.534 178.331 176.117 -0.533 0.000 1.081 2269 I CA 0.495 61.491 61.300 -0.506 0.000 1.353 2269 I CB -0.314 37.426 38.000 -0.434 0.000 1.054 2269 I HN 0.218 nan 8.210 nan 0.000 0.407 2270 C N 0.991 120.137 119.300 -0.256 0.000 2.403 2270 C HA -0.173 4.287 4.460 -0.001 0.000 0.282 2270 C C 2.797 177.747 174.990 -0.067 0.000 1.297 2270 C CA 1.227 60.155 59.018 -0.151 0.000 1.785 2270 C CB -1.298 26.401 27.740 -0.067 0.000 1.963 2270 C HN 0.362 nan 8.230 nan 0.000 0.507 2271 R N -1.906 118.572 120.500 -0.038 0.000 2.317 2271 R HA 0.189 4.529 4.340 -0.001 0.000 0.208 2271 R C 0.459 176.856 176.300 0.162 0.000 0.914 2271 R CA -0.090 56.043 56.100 0.055 0.000 1.060 2271 R CB -0.134 30.198 30.300 0.054 0.000 1.015 2271 R HN 0.468 nan 8.270 nan 0.000 0.498 2272 F N 1.030 120.912 119.950 -0.114 0.000 2.781 2272 F HA -0.311 4.216 4.527 -0.001 0.000 0.350 2272 F C -0.742 175.153 175.800 0.158 0.000 1.048 2272 F CA 0.365 58.377 58.000 0.020 0.000 1.134 2272 F CB -0.435 38.597 39.000 0.053 0.000 1.440 2272 F HN -0.064 nan 8.300 nan 0.000 0.799 2273 K N 1.680 122.265 120.400 0.309 0.000 2.208 2273 K HA 0.706 5.025 4.320 -0.001 0.000 0.247 2273 K C -0.856 175.873 176.600 0.215 0.000 0.953 2273 K CA -1.275 55.157 56.287 0.242 0.000 0.837 2273 K CB 2.258 34.854 32.500 0.160 0.000 1.131 2273 K HN 0.183 nan 8.250 nan 0.000 0.431 2274 L N 1.410 122.723 121.223 0.150 0.000 2.257 2274 L HA 0.357 4.696 4.340 -0.001 0.000 0.290 2274 L C -0.629 176.326 176.870 0.141 0.000 1.044 2274 L CA 0.579 55.466 54.840 0.078 0.000 0.810 2274 L CB 1.249 43.355 42.059 0.077 0.000 1.193 2274 L HN 0.634 nan 8.230 nan 0.000 0.425 2275 T N 2.706 117.215 114.554 -0.075 0.000 2.868 2275 T HA 0.133 4.482 4.350 -0.001 0.000 0.306 2275 T C 0.164 174.514 174.700 -0.585 0.000 1.224 2275 T CA -0.416 61.617 62.100 -0.112 0.000 1.012 2275 T CB 0.580 69.468 68.868 0.032 0.000 1.221 2275 T HN 0.719 nan 8.240 nan 0.000 0.499 2276 W N 3.693 124.518 121.300 -0.792 0.000 2.318 2276 W HA -0.041 4.618 4.660 -0.001 0.000 0.313 2276 W C -1.509 174.646 176.519 -0.606 0.000 1.221 2276 W CA 2.247 59.075 57.345 -0.861 0.000 1.266 2276 W CB -1.071 28.132 29.460 -0.428 0.000 1.150 2276 W HN 0.637 nan 8.180 nan 0.000 0.496 2277 P HA -0.257 nan 4.420 nan 0.000 0.211 2277 P C 2.138 178.965 177.300 -0.788 0.000 1.179 2277 P CA 3.359 66.141 63.100 -0.530 0.000 0.910 2277 P CB -0.853 30.409 31.700 -0.731 0.000 0.785 2278 L N 0.427 121.278 121.223 -0.620 0.000 2.131 2278 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 2278 L C 2.666 179.216 176.870 -0.534 0.000 1.092 2278 L CA 2.437 56.998 54.840 -0.466 0.000 0.759 2278 L CB -2.505 39.336 42.059 -0.364 0.000 0.903 2278 L HN 0.089 nan 8.230 nan 0.000 0.435 2279 Q N 0.099 119.524 119.800 -0.626 0.000 2.096 2279 Q HA -0.308 4.031 4.340 -0.001 0.000 0.204 2279 Q C 2.426 178.112 176.000 -0.523 0.000 0.982 2279 Q CA 2.481 57.916 55.803 -0.614 0.000 0.850 2279 Q CB -0.078 28.162 28.738 -0.831 0.000 0.901 2279 Q HN 0.758 nan 8.270 nan 0.000 0.422 2280 K N 0.642 120.608 120.400 -0.723 0.000 2.103 2280 K HA -0.061 4.258 4.320 -0.001 0.000 0.204 2280 K C 2.196 178.598 176.600 -0.329 0.000 1.052 2280 K CA 1.705 57.599 56.287 -0.655 0.000 0.945 2280 K CB -0.420 31.421 32.500 -1.099 0.000 0.722 2280 K HN 0.322 nan 8.250 nan 0.000 0.443 2281 S N -0.345 115.185 115.700 -0.282 0.000 2.382 2281 S HA -0.133 4.336 4.470 -0.001 0.000 0.228 2281 S C 1.913 176.564 174.600 0.084 0.000 1.027 2281 S CA 0.926 59.084 58.200 -0.071 0.000 0.991 2281 S CB -0.768 62.422 63.200 -0.017 0.000 0.823 2281 S HN 0.207 nan 8.310 nan 0.000 0.469 2282 F N 2.556 122.391 119.950 -0.192 0.000 2.250 2282 F HA 0.049 4.575 4.527 -0.001 0.000 0.301 2282 F C 2.542 178.262 175.800 -0.133 0.000 1.077 2282 F CA 1.011 58.921 58.000 -0.150 0.000 1.348 2282 F CB -0.656 38.247 39.000 -0.163 0.000 1.040 2282 F HN 0.458 nan 8.300 nan 0.000 0.509 2283 E N -0.639 119.559 120.200 -0.002 0.000 2.435 2283 E HA -0.077 4.273 4.350 -0.001 0.000 0.195 2283 E C 1.310 177.867 176.600 -0.071 0.000 1.029 2283 E CA 0.736 57.100 56.400 -0.059 0.000 0.865 2283 E CB 0.133 29.766 29.700 -0.112 0.000 0.833 2283 E HN 0.216 nan 8.360 nan 0.000 0.510 2284 I N 0.466 121.001 120.570 -0.058 0.000 4.310 2284 I HA 0.311 4.481 4.170 -0.001 0.000 0.328 2284 I C 0.106 176.217 176.117 -0.011 0.000 1.406 2284 I CA -0.061 61.221 61.300 -0.030 0.000 1.174 2284 I CB 0.466 38.465 38.000 -0.002 0.000 1.279 2284 I HN 0.026 nan 8.210 nan 0.000 0.471 2285 A N 1.294 124.088 122.820 -0.045 0.000 2.350 2285 A HA 0.592 4.912 4.320 -0.001 0.000 0.324 2285 A C -0.325 177.203 177.584 -0.093 0.000 1.118 2285 A CA -0.512 51.492 52.037 -0.055 0.000 0.783 2285 A CB 0.957 19.922 19.000 -0.060 0.000 1.236 2285 A HN 0.261 nan 8.150 nan 0.000 0.457 2286 D N 0.613 120.973 120.400 -0.068 0.000 2.393 2286 D HA 0.133 4.772 4.640 -0.001 0.000 0.246 2286 D C 0.429 176.664 176.300 -0.109 0.000 1.275 2286 D CA -0.321 53.635 54.000 -0.075 0.000 0.979 2286 D CB 0.497 41.269 40.800 -0.047 0.000 1.101 2286 D HN 0.377 nan 8.370 nan 0.000 0.505 2287 E N -0.661 119.479 120.200 -0.099 0.000 2.515 2287 E HA -0.095 4.255 4.350 -0.001 0.000 0.201 2287 E C 0.878 177.421 176.600 -0.094 0.000 1.071 2287 E CA 0.543 56.874 56.400 -0.114 0.000 0.880 2287 E CB 0.041 29.690 29.700 -0.085 0.000 0.828 2287 E HN 0.473 nan 8.360 nan 0.000 0.540 2288 E N -0.019 120.137 120.200 -0.073 0.000 2.035 2288 E HA 0.089 4.439 4.350 -0.001 0.000 0.191 2288 E C 2.001 178.571 176.600 -0.049 0.000 0.966 2288 E CA 0.562 56.933 56.400 -0.050 0.000 0.823 2288 E CB -0.132 29.549 29.700 -0.031 0.000 0.791 2288 E HN 0.097 nan 8.360 nan 0.000 0.459 2289 M N 0.540 120.114 119.600 -0.043 0.000 2.106 2289 M HA -0.229 4.250 4.480 -0.001 0.000 0.259 2289 M C 1.994 178.273 176.300 -0.035 0.000 1.068 2289 M CA 1.574 56.861 55.300 -0.021 0.000 1.100 2289 M CB -0.257 32.344 32.600 0.001 0.000 1.351 2289 M HN -0.023 nan 8.290 nan 0.000 0.404 2290 K N 0.282 120.605 120.400 -0.129 0.000 2.103 2290 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 2290 K C 1.937 178.452 176.600 -0.142 0.000 1.052 2290 K CA 0.989 57.116 56.287 -0.267 0.000 0.945 2290 K CB -0.246 31.842 32.500 -0.688 0.000 0.722 2290 K HN 0.315 nan 8.250 nan 0.000 0.443 2291 L N 1.341 122.501 121.223 -0.106 0.000 2.201 2291 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 2291 L C 1.513 178.390 176.870 0.012 0.000 1.105 2291 L CA 1.538 56.359 54.840 -0.033 0.000 0.775 2291 L CB 0.051 42.088 42.059 -0.037 0.000 0.913 2291 L HN -0.021 nan 8.230 nan 0.000 0.440 2292 K N -0.525 119.879 120.400 0.008 0.000 2.426 2292 K HA 0.102 4.422 4.320 -0.001 0.000 0.193 2292 K C 1.744 178.370 176.600 0.043 0.000 1.028 2292 K CA 0.507 56.807 56.287 0.021 0.000 1.047 2292 K CB 0.272 32.776 32.500 0.007 0.000 0.821 2292 K HN 0.394 nan 8.250 nan 0.000 0.513 2293 I N 0.392 121.007 120.570 0.074 0.000 2.385 2293 I HA -0.154 4.016 4.170 -0.001 0.000 0.244 2293 I C 1.382 177.572 176.117 0.122 0.000 1.089 2293 I CA 0.796 62.161 61.300 0.108 0.000 1.410 2293 I CB 0.134 38.237 38.000 0.171 0.000 1.117 2293 I HN -0.023 nan 8.210 nan 0.000 0.429 2294 S N 1.085 116.866 115.700 0.134 0.000 2.595 2294 S HA -0.127 4.342 4.470 -0.001 0.000 0.235 2294 S C 1.380 176.068 174.600 0.146 0.000 0.974 2294 S CA 0.820 59.100 58.200 0.135 0.000 0.942 2294 S CB -0.634 62.673 63.200 0.180 0.000 0.766 2294 S HN 0.614 nan 8.310 nan 0.000 0.536 2295 E N 1.895 122.164 120.200 0.115 0.000 2.175 2295 E HA 0.100 4.449 4.350 -0.001 0.000 0.195 2295 E C 1.100 177.756 176.600 0.093 0.000 0.934 2295 E CA 0.053 56.513 56.400 0.099 0.000 0.870 2295 E CB -0.352 29.387 29.700 0.065 0.000 0.838 2295 E HN 0.318 nan 8.360 nan 0.000 0.474 2296 N N -0.066 118.677 118.700 0.071 0.000 2.461 2296 N HA -0.041 4.699 4.740 -0.001 0.000 0.188 2296 N C -0.666 174.851 175.510 0.011 0.000 1.134 2296 N CA 0.239 53.310 53.050 0.035 0.000 0.878 2296 N CB 0.196 38.686 38.487 0.004 0.000 0.972 2296 N HN 0.173 nan 8.380 nan 0.000 0.456 2297 Y N 1.154 121.394 120.300 -0.101 0.000 2.535 2297 Y HA 0.370 4.920 4.550 -0.001 0.000 0.349 2297 Y C 0.464 176.248 175.900 -0.194 0.000 0.992 2297 Y CA -0.589 57.334 58.100 -0.295 0.000 1.248 2297 Y CB 0.840 39.010 38.460 -0.484 0.000 1.124 2297 Y HN -0.086 nan 8.280 nan 0.000 0.520 2298 G N 5.071 113.851 108.800 -0.034 0.000 3.764 2298 G HA2 0.227 4.187 3.960 -0.001 0.000 0.333 2298 G HA3 0.227 4.187 3.960 -0.001 0.000 0.333 2298 G C 0.037 174.875 174.900 -0.102 0.000 1.551 2298 G CA -0.504 44.392 45.100 -0.340 0.000 0.995 2298 G HN 0.509 nan 8.290 nan 0.000 0.485 2299 K N 1.081 121.446 120.400 -0.057 0.000 2.218 2299 K HA 0.132 4.452 4.320 -0.001 0.000 0.214 2299 K C 0.768 177.342 176.600 -0.043 0.000 1.033 2299 K CA 0.114 56.388 56.287 -0.022 0.000 0.949 2299 K CB 0.109 32.616 32.500 0.012 0.000 0.993 2299 K HN 0.304 nan 8.250 nan 0.000 0.464 2300 N N 1.401 120.076 118.700 -0.042 0.000 3.083 2300 N HA 0.023 4.763 4.740 -0.001 0.000 0.260 2300 N C 0.082 175.551 175.510 -0.068 0.000 1.163 2300 N CA 0.162 53.187 53.050 -0.042 0.000 1.060 2300 N CB 0.545 39.017 38.487 -0.024 0.000 1.345 2300 N HN 0.221 nan 8.380 nan 0.000 0.515 2301 S N 1.332 116.980 115.700 -0.088 0.000 2.420 2301 S HA -0.139 4.331 4.470 -0.001 0.000 0.237 2301 S C 1.679 176.231 174.600 -0.081 0.000 1.023 2301 S CA 1.544 59.679 58.200 -0.108 0.000 0.991 2301 S CB 0.131 63.276 63.200 -0.093 0.000 0.792 2301 S HN 0.587 nan 8.310 nan 0.000 0.488 2302 S N 1.408 117.076 115.700 -0.053 0.000 2.359 2302 S HA -0.112 4.357 4.470 -0.001 0.000 0.223 2302 S C 1.721 176.288 174.600 -0.056 0.000 1.039 2302 S CA 1.759 59.934 58.200 -0.041 0.000 1.042 2302 S CB -0.566 62.619 63.200 -0.026 0.000 0.915 2302 S HN 0.513 nan 8.310 nan 0.000 0.439 2303 L N 1.163 122.352 121.223 -0.058 0.000 2.093 2303 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 2303 L C 2.302 179.106 176.870 -0.110 0.000 1.085 2303 L CA 0.705 55.509 54.840 -0.061 0.000 0.755 2303 L CB -0.668 41.368 42.059 -0.038 0.000 0.904 2303 L HN 0.203 nan 8.230 nan 0.000 0.435 2304 V N -0.321 119.505 119.914 -0.146 0.000 2.407 2304 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 2304 V C 2.372 178.097 176.094 -0.615 0.000 1.055 2304 V CA 1.763 63.907 62.300 -0.260 0.000 1.049 2304 V CB -0.685 31.032 31.823 -0.176 0.000 0.662 2304 V HN 0.434 nan 8.190 nan 0.000 0.455 2305 K N -0.209 119.949 120.400 -0.402 0.000 2.103 2305 K HA -0.124 4.196 4.320 -0.001 0.000 0.204 2305 K C 1.959 178.492 176.600 -0.112 0.000 1.052 2305 K CA 1.329 57.449 56.287 -0.280 0.000 0.945 2305 K CB -0.328 32.184 32.500 0.020 0.000 0.722 2305 K HN 0.383 nan 8.250 nan 0.000 0.443 2306 D N 1.034 121.382 120.400 -0.085 0.000 2.133 2306 D HA -0.205 4.435 4.640 -0.001 0.000 0.192 2306 D C 1.963 178.266 176.300 0.006 0.000 1.001 2306 D CA 1.112 55.100 54.000 -0.020 0.000 0.844 2306 D CB -0.513 40.271 40.800 -0.027 0.000 0.944 2306 D HN 0.199 nan 8.370 nan 0.000 0.447 2307 C N 0.449 119.723 119.300 -0.043 0.000 2.418 2307 C HA -0.192 4.268 4.460 -0.001 0.000 0.280 2307 C C 2.506 177.591 174.990 0.158 0.000 1.223 2307 C CA 0.303 59.337 59.018 0.027 0.000 1.736 2307 C CB -1.329 26.412 27.740 0.002 0.000 2.056 2307 C HN 0.343 nan 8.230 nan 0.000 0.459 2308 Y N 2.493 122.809 120.300 0.027 0.000 2.096 2308 Y HA -0.236 4.314 4.550 -0.001 0.000 0.276 2308 Y C 2.354 178.300 175.900 0.076 0.000 1.209 2308 Y CA 1.567 59.665 58.100 -0.003 0.000 1.137 2308 Y CB -1.587 36.785 38.460 -0.146 0.000 0.956 2308 Y HN 0.474 nan 8.280 nan 0.000 0.506 2309 N N 0.260 119.135 118.700 0.292 0.000 2.223 2309 N HA -0.124 4.615 4.740 -0.001 0.000 0.185 2309 N C 1.649 177.224 175.510 0.109 0.000 1.016 2309 N CA 1.399 54.562 53.050 0.189 0.000 0.863 2309 N CB -0.598 37.972 38.487 0.138 0.000 0.983 2309 N HN 0.414 nan 8.380 nan 0.000 0.429 2310 L N -0.568 120.713 121.223 0.097 0.000 2.585 2310 L HA 0.242 4.582 4.340 -0.001 0.000 0.226 2310 L C 1.681 178.588 176.870 0.062 0.000 1.113 2310 L CA -0.003 54.874 54.840 0.062 0.000 0.876 2310 L CB -0.034 42.054 42.059 0.047 0.000 1.072 2310 L HN -0.044 nan 8.230 nan 0.000 0.468 2311 L N 0.341 121.620 121.223 0.093 0.000 2.554 2311 L HA 0.101 4.440 4.340 -0.001 0.000 0.226 2311 L C 0.600 177.477 176.870 0.012 0.000 1.137 2311 L CA 0.515 55.400 54.840 0.076 0.000 0.863 2311 L CB -0.232 41.894 42.059 0.112 0.000 0.985 2311 L HN 0.114 nan 8.230 nan 0.000 0.451 2312 K N 0.277 120.694 120.400 0.029 0.000 4.430 2312 K HA -0.237 4.082 4.320 -0.001 0.000 0.283 2312 K C 0.926 177.479 176.600 -0.078 0.000 0.845 2312 K CA 0.012 56.292 56.287 -0.012 0.000 0.819 2312 K CB -0.894 31.561 32.500 -0.074 0.000 1.735 2312 K HN 0.309 nan 8.250 nan 0.000 0.429 2313 I N 1.190 121.800 120.570 0.067 0.000 2.584 2313 I HA -0.188 3.982 4.170 -0.001 0.000 0.255 2313 I C 2.172 178.446 176.117 0.262 0.000 1.145 2313 I CA 1.310 62.676 61.300 0.110 0.000 1.462 2313 I CB -0.524 37.412 38.000 -0.106 0.000 1.102 2313 I HN 0.569 nan 8.210 nan 0.000 0.433 2314 N N 1.339 120.201 118.700 0.269 0.000 2.289 2314 N HA -0.273 4.467 4.740 -0.001 0.000 0.184 2314 N C 1.537 177.166 175.510 0.199 0.000 1.016 2314 N CA 1.279 54.483 53.050 0.258 0.000 0.872 2314 N CB -0.757 37.843 38.487 0.189 0.000 0.973 2314 N HN 0.475 nan 8.380 nan 0.000 0.433 2315 E N -0.592 119.664 120.200 0.093 0.000 2.160 2315 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 2315 E C 1.039 177.742 176.600 0.171 0.000 0.991 2315 E CA 1.055 57.479 56.400 0.041 0.000 0.810 2315 E CB -0.060 29.562 29.700 -0.129 0.000 0.742 2315 E HN 0.438 nan 8.360 nan 0.000 0.466 2316 H N -1.632 117.601 119.070 0.272 0.000 2.520 2316 H HA -0.009 4.546 4.556 -0.001 0.000 0.279 2316 H C 1.332 176.955 175.328 0.491 0.000 0.990 2316 H CA 0.914 57.183 56.048 0.370 0.000 1.288 2316 H CB -0.260 29.738 29.762 0.393 0.000 1.446 2316 H HN 0.294 nan 8.280 nan 0.000 0.538 2317 Y N 1.918 122.371 120.300 0.255 0.000 2.145 2317 Y HA -0.190 4.360 4.550 -0.001 0.000 0.286 2317 Y C 2.100 178.053 175.900 0.089 0.000 1.145 2317 Y CA 1.365 59.344 58.100 -0.203 0.000 1.148 2317 Y CB -0.568 37.704 38.460 -0.313 0.000 0.981 2317 Y HN 0.037 nan 8.280 nan 0.000 0.507 2318 L N 0.040 121.256 121.223 -0.012 0.000 2.046 2318 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 2318 L C 2.459 179.269 176.870 -0.100 0.000 1.077 2318 L CA 2.082 56.845 54.840 -0.128 0.000 0.747 2318 L CB -0.841 41.234 42.059 0.027 0.000 0.896 2318 L HN 0.292 nan 8.230 nan 0.000 0.432 2319 E N -0.200 120.023 120.200 0.038 0.000 2.208 2319 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 2319 E C 2.150 178.762 176.600 0.020 0.000 0.988 2319 E CA 0.681 57.106 56.400 0.042 0.000 0.828 2319 E CB -0.111 29.666 29.700 0.127 0.000 0.763 2319 E HN 0.430 nan 8.360 nan 0.000 0.478 2320 Y N 1.668 121.936 120.300 -0.053 0.000 2.060 2320 Y HA -0.307 4.242 4.550 -0.001 0.000 0.276 2320 Y C 2.464 178.165 175.900 -0.331 0.000 1.127 2320 Y CA 2.559 60.597 58.100 -0.104 0.000 1.104 2320 Y CB -0.663 37.788 38.460 -0.015 0.000 0.983 2320 Y HN 0.068 nan 8.280 nan 0.000 0.483 2321 Q N 0.323 119.794 119.800 -0.549 0.000 2.181 2321 Q HA -0.258 4.081 4.340 -0.001 0.000 0.205 2321 Q C 2.316 177.969 176.000 -0.578 0.000 0.980 2321 Q CA 1.756 57.104 55.803 -0.758 0.000 0.862 2321 Q CB -0.224 28.126 28.738 -0.646 0.000 0.905 2321 Q HN 0.535 nan 8.270 nan 0.000 0.429 2322 R N -0.104 120.176 120.500 -0.366 0.000 2.073 2322 R HA -0.080 4.260 4.340 -0.001 0.000 0.234 2322 R C 1.924 178.069 176.300 -0.259 0.000 1.134 2322 R CA 1.653 57.612 56.100 -0.236 0.000 0.952 2322 R CB -0.059 30.159 30.300 -0.136 0.000 0.850 2322 R HN 0.433 nan 8.270 nan 0.000 0.433 2323 N N 0.369 118.895 118.700 -0.292 0.000 2.409 2323 N HA -0.059 4.681 4.740 -0.001 0.000 0.179 2323 N C 1.519 176.826 175.510 -0.340 0.000 1.032 2323 N CA 0.951 53.847 53.050 -0.257 0.000 0.898 2323 N CB -0.134 38.228 38.487 -0.209 0.000 0.971 2323 N HN 0.187 nan 8.380 nan 0.000 0.441 2324 A N 1.821 124.262 122.820 -0.632 0.000 1.859 2324 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 2324 A C 2.219 179.526 177.584 -0.462 0.000 1.198 2324 A CA 1.194 52.749 52.037 -0.802 0.000 0.629 2324 A CB -0.896 17.053 19.000 -1.752 0.000 0.830 2324 A HN 0.209 nan 8.150 nan 0.000 0.446 2325 L N 0.144 121.116 121.223 -0.418 0.000 1.970 2325 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 2325 L C 1.759 178.572 176.870 -0.095 0.000 1.071 2325 L CA 2.718 57.449 54.840 -0.181 0.000 0.751 2325 L CB -0.890 41.100 42.059 -0.114 0.000 0.889 2325 L HN 0.388 nan 8.230 nan 0.000 0.432 2326 D N -1.770 118.580 120.400 -0.083 0.000 2.144 2326 D HA -0.233 4.407 4.640 -0.001 0.000 0.199 2326 D C 2.067 178.383 176.300 0.026 0.000 0.984 2326 D CA 1.218 55.200 54.000 -0.030 0.000 0.834 2326 D CB -0.334 40.448 40.800 -0.031 0.000 0.955 2326 D HN 0.419 nan 8.370 nan 0.000 0.465 2327 Y N 1.346 121.566 120.300 -0.134 0.000 2.274 2327 Y HA -0.089 4.460 4.550 -0.001 0.000 0.290 2327 Y C 2.089 177.935 175.900 -0.091 0.000 1.145 2327 Y CA 0.772 58.805 58.100 -0.112 0.000 1.203 2327 Y CB -0.472 37.910 38.460 -0.131 0.000 0.984 2327 Y HN -0.055 nan 8.280 nan 0.000 0.533 2328 L N -0.964 120.193 121.223 -0.109 0.000 2.131 2328 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 2328 L C 2.313 179.122 176.870 -0.101 0.000 1.092 2328 L CA 1.282 56.040 54.840 -0.136 0.000 0.759 2328 L CB -0.421 41.603 42.059 -0.059 0.000 0.903 2328 L HN 0.180 nan 8.230 nan 0.000 0.435 2329 I N -0.564 119.970 120.570 -0.061 0.000 2.400 2329 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 2329 I C 2.399 178.484 176.117 -0.054 0.000 1.109 2329 I CA 0.886 62.158 61.300 -0.045 0.000 1.425 2329 I CB -0.075 37.907 38.000 -0.030 0.000 1.094 2329 I HN 0.172 nan 8.210 nan 0.000 0.425 2330 K N 0.457 120.833 120.400 -0.040 0.000 1.991 2330 K HA -0.222 4.098 4.320 -0.001 0.000 0.212 2330 K C 2.039 178.585 176.600 -0.091 0.000 1.049 2330 K CA 1.287 57.554 56.287 -0.033 0.000 0.932 2330 K CB -0.618 31.908 32.500 0.042 0.000 0.717 2330 K HN 0.050 nan 8.250 nan 0.000 0.441 2331 L N 1.439 122.557 121.223 -0.175 0.000 1.997 2331 L HA -0.221 4.118 4.340 -0.001 0.000 0.216 2331 L C 2.420 179.184 176.870 -0.176 0.000 1.074 2331 L CA 1.503 56.203 54.840 -0.234 0.000 0.763 2331 L CB -0.789 41.053 42.059 -0.363 0.000 0.890 2331 L HN 0.033 nan 8.230 nan 0.000 0.434 2332 V N -0.724 119.106 119.914 -0.140 0.000 2.287 2332 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 2332 V C 2.471 178.508 176.094 -0.096 0.000 1.053 2332 V CA 1.788 64.023 62.300 -0.108 0.000 1.027 2332 V CB -0.543 31.253 31.823 -0.047 0.000 0.646 2332 V HN 0.456 nan 8.190 nan 0.000 0.447 2333 K N -0.306 120.047 120.400 -0.078 0.000 2.362 2333 K HA -0.206 4.114 4.320 -0.001 0.000 0.202 2333 K C 1.048 177.606 176.600 -0.071 0.000 1.045 2333 K CA 1.519 57.768 56.287 -0.064 0.000 0.936 2333 K CB -0.194 32.276 32.500 -0.051 0.000 0.747 2333 K HN 0.482 nan 8.250 nan 0.000 0.467 2334 D N 0.051 120.397 120.400 -0.090 0.000 2.342 2334 D HA 0.113 4.752 4.640 -0.001 0.000 0.221 2334 D C -0.205 176.032 176.300 -0.104 0.000 1.101 2334 D CA 0.153 54.101 54.000 -0.087 0.000 0.837 2334 D CB 0.187 40.934 40.800 -0.087 0.000 0.938 2334 D HN 0.090 nan 8.370 nan 0.000 0.508 2335 I N 0.625 121.123 120.570 -0.119 0.000 2.396 2335 I HA -0.003 4.166 4.170 -0.001 0.000 0.289 2335 I C 1.821 177.884 176.117 -0.090 0.000 1.056 2335 I CA -0.035 61.182 61.300 -0.138 0.000 1.365 2335 I CB 1.631 39.520 38.000 -0.184 0.000 1.407 2335 I HN -0.102 nan 8.210 nan 0.000 0.509 2336 T N 3.214 117.719 114.554 -0.082 0.000 2.698 2336 T HA -0.160 4.189 4.350 -0.001 0.000 0.260 2336 T C 1.264 175.938 174.700 -0.043 0.000 1.044 2336 T CA 1.898 63.964 62.100 -0.056 0.000 1.149 2336 T CB -0.134 68.704 68.868 -0.051 0.000 0.864 2336 T HN 0.716 nan 8.240 nan 0.000 0.419 2337 D N 0.850 121.225 120.400 -0.042 0.000 2.220 2337 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 2337 D C 1.229 177.519 176.300 -0.017 0.000 1.001 2337 D CA 1.481 55.466 54.000 -0.025 0.000 0.875 2337 D CB -0.148 40.640 40.800 -0.019 0.000 0.921 2337 D HN 0.456 nan 8.370 nan 0.000 0.454 2338 D N -2.587 117.802 120.400 -0.018 0.000 2.554 2338 D HA -0.200 4.440 4.640 -0.001 0.000 0.178 2338 D C 1.127 177.427 176.300 -0.001 0.000 1.054 2338 D CA 1.637 55.629 54.000 -0.013 0.000 1.052 2338 D CB -1.471 39.320 40.800 -0.016 0.000 1.112 2338 D HN 0.419 nan 8.370 nan 0.000 0.448 2339 S N -0.757 114.947 115.700 0.006 0.000 2.540 2339 S HA 0.267 4.737 4.470 -0.001 0.000 0.218 2339 S C 1.468 176.090 174.600 0.036 0.000 0.977 2339 S CA 0.156 58.365 58.200 0.016 0.000 0.918 2339 S CB 0.656 63.861 63.200 0.008 0.000 0.806 2339 S HN 0.421 nan 8.310 nan 0.000 0.496 2340 L N 0.288 121.541 121.223 0.050 0.000 2.817 2340 L HA 0.410 4.750 4.340 -0.001 0.000 0.248 2340 L C 2.059 179.050 176.870 0.200 0.000 1.133 2340 L CA 0.110 55.023 54.840 0.122 0.000 0.935 2340 L CB 0.168 42.280 42.059 0.088 0.000 1.266 2340 L HN 0.342 nan 8.230 nan 0.000 0.535 2341 Q N 0.269 120.119 119.800 0.084 0.000 2.424 2341 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 2341 Q C 1.735 177.780 176.000 0.075 0.000 0.933 2341 Q CA 0.640 56.486 55.803 0.072 0.000 0.929 2341 Q CB 0.380 29.110 28.738 -0.012 0.000 1.037 2341 Q HN 0.340 nan 8.270 nan 0.000 0.511 2342 K N 0.769 121.202 120.400 0.055 0.000 1.965 2342 K HA -0.151 4.168 4.320 -0.001 0.000 0.214 2342 K C 1.916 178.535 176.600 0.031 0.000 1.046 2342 K CA 2.473 58.767 56.287 0.011 0.000 0.944 2342 K CB -0.848 31.677 32.500 0.041 0.000 0.726 2342 K HN 0.161 nan 8.250 nan 0.000 0.441 2343 V N -1.448 118.535 119.914 0.116 0.000 2.759 2343 V HA -0.051 4.069 4.120 -0.001 0.000 0.256 2343 V C 2.030 178.120 176.094 -0.005 0.000 1.080 2343 V CA 1.478 63.846 62.300 0.113 0.000 1.101 2343 V CB -0.974 30.824 31.823 -0.041 0.000 0.698 2343 V HN 0.168 nan 8.190 nan 0.000 0.477 2344 F N -0.192 119.758 119.950 0.000 0.000 2.710 2344 F HA 0.313 4.840 4.527 -0.001 0.000 0.298 2344 F C 1.967 177.753 175.800 -0.023 0.000 1.137 2344 F CA 0.916 58.905 58.000 -0.017 0.000 1.444 2344 F CB -0.155 38.814 39.000 -0.053 0.000 1.111 2344 F HN 0.093 nan 8.300 nan 0.000 0.580 2345 I N -1.169 119.449 120.570 0.080 0.000 2.400 2345 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 2345 I C 2.388 178.499 176.117 -0.010 0.000 1.109 2345 I CA 0.747 62.032 61.300 -0.025 0.000 1.425 2345 I CB -0.308 37.600 38.000 -0.152 0.000 1.094 2345 I HN 0.108 nan 8.210 nan 0.000 0.425 2346 H N -0.090 119.030 119.070 0.083 0.000 2.389 2346 H HA -0.131 4.424 4.556 -0.001 0.000 0.299 2346 H C 2.078 177.473 175.328 0.111 0.000 1.081 2346 H CA 1.192 57.310 56.048 0.117 0.000 1.345 2346 H CB -0.146 29.654 29.762 0.064 0.000 1.393 2346 H HN 0.190 nan 8.280 nan 0.000 0.520 2347 L N 0.950 122.268 121.223 0.158 0.000 1.994 2347 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 2347 L C 2.265 179.223 176.870 0.147 0.000 1.071 2347 L CA 1.230 56.130 54.840 0.099 0.000 0.745 2347 L CB -0.968 41.064 42.059 -0.044 0.000 0.892 2347 L HN 0.028 nan 8.230 nan 0.000 0.431 2348 I N -0.717 119.943 120.570 0.151 0.000 2.286 2348 I HA -0.310 3.859 4.170 -0.001 0.000 0.248 2348 I C 2.647 178.880 176.117 0.194 0.000 1.115 2348 I CA 1.510 62.899 61.300 0.150 0.000 1.392 2348 I CB -0.696 37.371 38.000 0.113 0.000 1.065 2348 I HN 0.471 nan 8.210 nan 0.000 0.418 2349 H N 0.015 119.138 119.070 0.089 0.000 2.326 2349 H HA -0.152 4.403 4.556 -0.001 0.000 0.301 2349 H C 2.145 177.535 175.328 0.104 0.000 1.081 2349 H CA 1.416 57.517 56.048 0.088 0.000 1.334 2349 H CB 0.276 30.091 29.762 0.088 0.000 1.385 2349 H HN 0.404 nan 8.280 nan 0.000 0.504 2350 Q N 0.127 119.932 119.800 0.007 0.000 2.030 2350 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 2350 Q C 2.445 178.437 176.000 -0.013 0.000 0.986 2350 Q CA 1.629 57.397 55.803 -0.059 0.000 0.843 2350 Q CB 0.132 28.904 28.738 0.057 0.000 0.904 2350 Q HN 0.477 nan 8.270 nan 0.000 0.420 2351 I N 0.878 121.501 120.570 0.088 0.000 2.202 2351 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 2351 I C 2.646 178.779 176.117 0.026 0.000 1.091 2351 I CA 1.676 63.047 61.300 0.118 0.000 1.368 2351 I CB -1.737 36.398 38.000 0.226 0.000 1.058 2351 I HN 0.234 nan 8.210 nan 0.000 0.410 2352 S N 0.622 116.374 115.700 0.088 0.000 2.355 2352 S HA -0.159 4.310 4.470 -0.001 0.000 0.222 2352 S C 1.829 176.446 174.600 0.029 0.000 1.031 2352 S CA 0.839 59.114 58.200 0.126 0.000 0.993 2352 S CB -0.427 62.905 63.200 0.220 0.000 0.859 2352 S HN 0.338 nan 8.310 nan 0.000 0.453 2353 E N 1.476 121.665 120.200 -0.020 0.000 2.049 2353 E HA -0.150 4.199 4.350 -0.001 0.000 0.198 2353 E C 2.093 178.654 176.600 -0.064 0.000 1.007 2353 E CA 1.363 57.723 56.400 -0.067 0.000 0.809 2353 E CB -0.841 28.731 29.700 -0.214 0.000 0.749 2353 E HN 0.537 nan 8.360 nan 0.000 0.450 2354 L N 0.871 122.052 121.223 -0.070 0.000 1.997 2354 L HA -0.191 4.148 4.340 -0.001 0.000 0.216 2354 L C 2.351 179.161 176.870 -0.100 0.000 1.074 2354 L CA 1.742 56.547 54.840 -0.058 0.000 0.763 2354 L CB -0.426 41.624 42.059 -0.015 0.000 0.890 2354 L HN 0.095 nan 8.230 nan 0.000 0.434 2355 I N -1.297 119.161 120.570 -0.186 0.000 2.761 2355 I HA -0.184 3.985 4.170 -0.001 0.000 0.261 2355 I C 1.652 177.573 176.117 -0.327 0.000 1.198 2355 I CA 1.277 62.348 61.300 -0.381 0.000 1.482 2355 I CB -0.236 37.363 38.000 -0.668 0.000 1.100 2355 I HN 0.371 nan 8.210 nan 0.000 0.445 2356 T N -0.781 113.698 114.554 -0.126 0.000 3.039 2356 T HA 0.086 4.436 4.350 -0.001 0.000 0.250 2356 T C 1.165 175.855 174.700 -0.017 0.000 1.052 2356 T CA 0.317 62.388 62.100 -0.048 0.000 1.125 2356 T CB -0.046 68.832 68.868 0.016 0.000 0.908 2356 T HN 0.119 nan 8.240 nan 0.000 0.473 2357 N N 2.487 121.177 118.700 -0.017 0.000 2.597 2357 N HA 0.271 5.010 4.740 -0.001 0.000 0.269 2357 N C -0.062 175.457 175.510 0.016 0.000 1.204 2357 N CA -0.005 53.048 53.050 0.005 0.000 0.947 2357 N CB 0.187 38.673 38.487 -0.001 0.000 1.258 2357 N HN 0.280 nan 8.380 nan 0.000 0.508 2358 S N 0.113 115.836 115.700 0.038 0.000 2.552 2358 S HA 0.391 4.861 4.470 -0.001 0.000 0.271 2358 S C 1.154 175.809 174.600 0.091 0.000 1.168 2358 S CA -0.683 57.566 58.200 0.081 0.000 1.026 2358 S CB 0.275 63.587 63.200 0.186 0.000 1.120 2358 S HN 0.509 nan 8.310 nan 0.000 0.514 2359 R N 1.007 121.579 120.500 0.121 0.000 2.561 2359 R HA 0.234 4.574 4.340 -0.001 0.000 0.347 2359 R C 1.033 177.451 176.300 0.197 0.000 0.916 2359 R CA 0.722 56.905 56.100 0.138 0.000 1.063 2359 R CB -1.336 29.049 30.300 0.142 0.000 0.916 2359 R HN 0.603 nan 8.270 nan 0.000 0.410 2360 S N 1.353 117.127 115.700 0.123 0.000 2.541 2360 S HA 0.028 4.497 4.470 -0.001 0.000 0.219 2360 S C 0.838 175.497 174.600 0.098 0.000 1.025 2360 S CA 0.586 58.849 58.200 0.104 0.000 0.917 2360 S CB 0.057 63.298 63.200 0.068 0.000 0.859 2360 S HN 0.855 nan 8.310 nan 0.000 0.584 2361 N N 0.000 118.748 118.700 0.080 0.000 1.763 2361 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 2361 N CA 0.000 53.090 53.050 0.067 0.000 0.885 2361 N CB 0.000 38.514 38.487 0.045 0.000 1.341 2361 N HN 0.000 nan 8.380 nan 0.000 0.667