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 3k9b_1_B DATA FIRST_RESID 2024 DATA SEQUENCE PVVDTVHGKV LGKFVSLEGF AQPVAIFLGI PFAKPPLGPL RFTPPQPAEP DATA SEQUENCE WSFVKNATSY PPMcTQDPKA GQLLSELFTN RKENIPLKLS EDcLYLNIYT DATA SEQUENCE PADLTKKNRL PVMVWIHGGG LMVGAASTYD GLALAAHENV VVVTIQYRLG DATA SEQUENCE IWGFFSTGDE HSRGNWGHLD QVAALRWVQD NIASFGGNPG SVTIFGESAG DATA SEQUENCE GESVSVLVLS PLAKNLFHRA ISESGVALTS VLVKKGDVKP LAEQIAITAG DATA SEQUENCE cKTTTSAVMV HcLRQKTEEE LLETTLKMKF LSLXXXXXXX XXXXXLGTVI DATA SEQUENCE DGMLLLKTPE ELQXXXXFHT VPYMVGINKQ EFGWLIPMXL MSYPLXXXXX DATA SEQUENCE XXXXAMSLLW KSYPLVXXXX XLIPEATEKY LGGTDDTVKK KDLFLDLIAD DATA SEQUENCE VMFGVPSVIV ARNHRDAGAP TYMYEFQYRP SFSSDMKPKT VIGDHGDELF DATA SEQUENCE SVFGAPFLKE GASEEEIRLS KMVMKFWANF ARNGNPNGEG LPHWPEYNQK DATA SEQUENCE EGYLQIGANT QAAQKLKDKE VAFWTNLFAK 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 2024 P HA 0.000 nan 4.420 nan 0.000 0.216 2024 P C 0.000 177.308 177.300 0.014 0.000 1.155 2024 P CA 0.000 62.971 63.100 -0.215 0.000 0.800 2024 P CB 0.000 31.291 31.700 -0.682 0.000 0.726 2025 V N 1.921 121.891 119.914 0.094 0.000 2.409 2025 V HA 0.464 4.584 4.120 -0.000 0.000 0.290 2025 V C 0.228 176.360 176.094 0.064 0.000 1.017 2025 V CA -0.575 61.800 62.300 0.126 0.000 0.841 2025 V CB 1.840 33.715 31.823 0.086 0.000 1.003 2025 V HN 0.482 nan 8.190 nan 0.000 0.426 2026 V N 3.072 122.987 119.914 0.001 0.000 2.837 2026 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 2026 V C -0.325 175.675 176.094 -0.156 0.000 1.059 2026 V CA -0.507 61.636 62.300 -0.261 0.000 1.004 2026 V CB 2.191 33.490 31.823 -0.873 0.000 1.045 2026 V HN 0.884 nan 8.190 nan 0.000 0.465 2027 D N 2.036 122.327 120.400 -0.182 0.000 2.460 2027 D HA 0.388 5.028 4.640 -0.000 0.000 0.232 2027 D C 0.152 176.390 176.300 -0.103 0.000 1.079 2027 D CA -0.187 53.762 54.000 -0.085 0.000 0.864 2027 D CB 1.274 42.032 40.800 -0.070 0.000 1.048 2027 D HN 0.766 nan 8.370 nan 0.000 0.523 2028 T N -0.554 113.992 114.554 -0.012 0.000 2.849 2028 T HA 0.263 4.613 4.350 -0.000 0.000 0.276 2028 T C 1.529 176.150 174.700 -0.132 0.000 0.971 2028 T CA -0.570 61.525 62.100 -0.009 0.000 0.949 2028 T CB 0.832 69.855 68.868 0.259 0.000 1.093 2028 T HN 0.003 nan 8.240 nan 0.000 0.545 2029 V N 0.886 120.654 119.914 -0.243 0.000 2.515 2029 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 2029 V C 2.162 177.962 176.094 -0.489 0.000 1.058 2029 V CA 1.773 63.840 62.300 -0.388 0.000 1.064 2029 V CB -1.229 30.276 31.823 -0.529 0.000 0.675 2029 V HN 0.956 nan 8.190 nan 0.000 0.461 2030 H N -0.550 118.354 119.070 -0.277 0.000 2.539 2030 H HA 0.494 5.050 4.556 -0.000 0.000 0.269 2030 H C 0.913 175.498 175.328 -1.239 0.000 0.980 2030 H CA 0.589 56.268 56.048 -0.616 0.000 1.152 2030 H CB 0.481 29.909 29.762 -0.557 0.000 1.407 2030 H HN 0.537 nan 8.280 nan 0.000 0.564 2031 G N -0.170 108.214 108.800 -0.694 0.000 2.369 2031 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.295 2031 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.295 2031 G C -1.561 173.379 174.900 0.067 0.000 1.298 2031 G CA -1.251 43.482 45.100 -0.613 0.000 0.940 2031 G HN 0.064 nan 8.290 nan 0.000 0.536 2032 K N -0.320 120.270 120.400 0.317 0.000 2.143 2032 K HA 0.630 4.950 4.320 -0.000 0.000 0.272 2032 K C 0.119 177.023 176.600 0.508 0.000 1.001 2032 K CA -0.613 55.878 56.287 0.341 0.000 0.915 2032 K CB 2.014 34.653 32.500 0.232 0.000 1.047 2032 K HN 0.931 nan 8.250 nan 0.000 0.458 2033 V N 0.473 120.600 119.914 0.354 0.000 2.680 2033 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 2033 V C -1.048 175.233 176.094 0.311 0.000 1.052 2033 V CA -1.227 61.270 62.300 0.328 0.000 0.908 2033 V CB 1.479 33.523 31.823 0.369 0.000 1.001 2033 V HN 0.568 nan 8.190 nan 0.000 0.431 2034 L N 4.365 125.740 121.223 0.252 0.000 2.287 2034 L HA 0.975 5.315 4.340 -0.000 0.000 0.287 2034 L C 0.432 177.368 176.870 0.110 0.000 1.022 2034 L CA 0.630 55.581 54.840 0.184 0.000 0.814 2034 L CB 0.999 43.102 42.059 0.073 0.000 1.217 2034 L HN 1.040 nan 8.230 nan 0.000 0.420 2035 G N 4.042 112.789 108.800 -0.088 0.000 2.990 2035 G HA2 0.648 4.608 3.960 -0.000 0.000 0.208 2035 G HA3 0.648 4.608 3.960 -0.000 0.000 0.208 2035 G C -1.349 173.224 174.900 -0.545 0.000 1.334 2035 G CA -0.611 44.104 45.100 -0.641 0.000 1.024 2035 G HN 0.764 nan 8.290 nan 0.000 0.574 2036 K N -1.249 118.760 120.400 -0.651 0.000 2.502 2036 K HA 0.564 4.883 4.320 -0.000 0.000 0.257 2036 K C -1.795 174.544 176.600 -0.434 0.000 0.938 2036 K CA -0.822 55.204 56.287 -0.435 0.000 0.819 2036 K CB 1.877 34.228 32.500 -0.248 0.000 1.333 2036 K HN 0.281 nan 8.250 nan 0.000 0.434 2037 F N 1.352 121.231 119.950 -0.118 0.000 2.394 2037 F HA 0.433 4.960 4.527 -0.000 0.000 0.340 2037 F C -0.233 175.544 175.800 -0.039 0.000 1.105 2037 F CA -0.655 57.304 58.000 -0.068 0.000 1.124 2037 F CB 1.965 40.947 39.000 -0.030 0.000 1.145 2037 F HN 0.105 nan 8.300 nan 0.000 0.505 2038 V N 2.435 122.469 119.914 0.201 0.000 2.623 2038 V HA 0.296 4.416 4.120 -0.000 0.000 0.304 2038 V C -0.674 175.494 176.094 0.123 0.000 1.054 2038 V CA -0.830 61.547 62.300 0.128 0.000 0.882 2038 V CB 1.908 33.791 31.823 0.099 0.000 1.002 2038 V HN 0.726 nan 8.190 nan 0.000 0.424 2039 S N 4.607 120.367 115.700 0.100 0.000 2.480 2039 S HA 0.657 5.127 4.470 -0.000 0.000 0.286 2039 S C -0.508 174.150 174.600 0.096 0.000 1.180 2039 S CA -0.365 57.890 58.200 0.092 0.000 1.075 2039 S CB 1.334 64.584 63.200 0.082 0.000 0.996 2039 S HN 0.575 nan 8.310 nan 0.000 0.487 2040 L N 3.654 124.930 121.223 0.088 0.000 2.289 2040 L HA 0.371 4.711 4.340 -0.000 0.000 0.285 2040 L C 0.127 177.156 176.870 0.265 0.000 1.049 2040 L CA -0.147 54.755 54.840 0.104 0.000 0.804 2040 L CB 0.547 42.545 42.059 -0.101 0.000 1.195 2040 L HN 0.620 nan 8.230 nan 0.000 0.428 2041 E N 4.266 124.611 120.200 0.241 0.000 2.900 2041 E HA 0.121 4.471 4.350 -0.000 0.000 0.259 2041 E C 0.936 177.709 176.600 0.288 0.000 0.918 2041 E CA 1.204 57.742 56.400 0.230 0.000 0.960 2041 E CB -0.033 29.788 29.700 0.202 0.000 0.908 2041 E HN 0.981 nan 8.360 nan 0.000 0.511 2042 G N 2.892 111.771 108.800 0.131 0.000 2.176 2042 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 2042 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 2042 G C -0.448 174.241 174.900 -0.353 0.000 1.024 2042 G CA -0.244 44.816 45.100 -0.067 0.000 0.755 2042 G HN 0.383 nan 8.290 nan 0.000 0.507 2043 F N -1.052 118.883 119.950 -0.025 0.000 2.547 2043 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 2043 F C 1.040 176.824 175.800 -0.026 0.000 1.121 2043 F CA -0.211 57.765 58.000 -0.042 0.000 0.911 2043 F CB 1.671 40.631 39.000 -0.067 0.000 1.179 2043 F HN 0.087 nan 8.300 nan 0.000 0.443 2044 A N 1.636 124.509 122.820 0.088 0.000 1.872 2044 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 2044 A C 1.027 178.644 177.584 0.055 0.000 1.187 2044 A CA 0.920 52.984 52.037 0.046 0.000 0.614 2044 A CB -0.362 18.644 19.000 0.010 0.000 0.826 2044 A HN 0.631 nan 8.150 nan 0.000 0.442 2045 Q N 1.224 121.079 119.800 0.092 0.000 2.323 2045 Q HA 0.367 4.707 4.340 -0.000 0.000 0.257 2045 Q C -2.494 173.553 176.000 0.079 0.000 1.022 2045 Q CA -2.670 53.171 55.803 0.063 0.000 0.919 2045 Q CB 0.619 29.407 28.738 0.083 0.000 1.220 2045 Q HN 0.352 nan 8.270 nan 0.000 0.427 2046 P HA 0.117 nan 4.420 nan 0.000 0.275 2046 P C -0.974 176.420 177.300 0.156 0.000 1.266 2046 P CA -0.402 62.740 63.100 0.071 0.000 0.793 2046 P CB 0.723 32.422 31.700 -0.002 0.000 1.074 2047 V N -0.305 119.728 119.914 0.197 0.000 2.667 2047 V HA 0.618 4.738 4.120 -0.000 0.000 0.308 2047 V C 0.281 176.533 176.094 0.262 0.000 1.048 2047 V CA -0.897 61.538 62.300 0.224 0.000 0.928 2047 V CB 1.343 33.260 31.823 0.157 0.000 1.004 2047 V HN 0.767 nan 8.190 nan 0.000 0.444 2048 A N 5.164 128.100 122.820 0.194 0.000 2.260 2048 A HA 0.783 5.103 4.320 -0.000 0.000 0.308 2048 A C -0.580 176.884 177.584 -0.199 0.000 1.254 2048 A CA -0.319 51.644 52.037 -0.124 0.000 0.874 2048 A CB 0.046 19.023 19.000 -0.038 0.000 1.153 2048 A HN 0.741 nan 8.150 nan 0.000 0.527 2049 I N 2.577 122.865 120.570 -0.471 0.000 2.362 2049 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 2049 I C -1.293 174.414 176.117 -0.684 0.000 0.994 2049 I CA -0.229 60.776 61.300 -0.490 0.000 1.158 2049 I CB 1.351 39.130 38.000 -0.368 0.000 1.315 2049 I HN 0.564 nan 8.210 nan 0.000 0.451 2050 F N 6.948 126.746 119.950 -0.254 0.000 2.382 2050 F HA 0.463 4.990 4.527 -0.000 0.000 0.361 2050 F C -0.184 175.479 175.800 -0.228 0.000 1.109 2050 F CA -0.525 57.383 58.000 -0.153 0.000 1.031 2050 F CB 0.995 40.013 39.000 0.031 0.000 1.234 2050 F HN 0.129 nan 8.300 nan 0.000 0.445 2051 L N 3.033 124.173 121.223 -0.139 0.000 2.289 2051 L HA 0.651 4.991 4.340 -0.000 0.000 0.285 2051 L C 0.747 177.536 176.870 -0.136 0.000 1.049 2051 L CA -0.872 53.855 54.840 -0.189 0.000 0.804 2051 L CB 1.273 43.083 42.059 -0.414 0.000 1.195 2051 L HN 0.874 nan 8.230 nan 0.000 0.428 2052 G N 4.178 112.928 108.800 -0.083 0.000 2.422 2052 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.290 2052 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.290 2052 G C -0.516 174.387 174.900 0.006 0.000 1.059 2052 G CA -0.467 44.557 45.100 -0.126 0.000 1.242 2052 G HN 0.498 nan 8.290 nan 0.000 0.520 2053 I N 2.114 122.739 120.570 0.092 0.000 2.354 2053 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 2053 I C -1.824 174.317 176.117 0.039 0.000 0.989 2053 I CA -2.675 58.653 61.300 0.047 0.000 1.188 2053 I CB 2.114 40.056 38.000 -0.096 0.000 1.342 2053 I HN 0.064 nan 8.210 nan 0.000 0.457 2054 P HA 0.077 nan 4.420 nan 0.000 0.276 2054 P C -0.140 176.988 177.300 -0.287 0.000 1.243 2054 P CA -0.038 62.837 63.100 -0.373 0.000 0.768 2054 P CB 0.255 31.772 31.700 -0.305 0.000 0.856 2055 F N 1.426 121.155 119.950 -0.367 0.000 2.682 2055 F HA 0.753 5.280 4.527 -0.000 0.000 0.308 2055 F C 0.233 175.995 175.800 -0.064 0.000 1.093 2055 F CA -0.806 57.045 58.000 -0.250 0.000 1.244 2055 F CB -0.037 38.766 39.000 -0.327 0.000 1.052 2055 F HN 0.365 nan 8.300 nan 0.000 0.573 2056 A N 0.546 123.073 122.820 -0.489 0.000 2.567 2056 A HA 0.581 4.901 4.320 -0.000 0.000 0.289 2056 A C -1.321 176.060 177.584 -0.339 0.000 1.177 2056 A CA -1.099 50.755 52.037 -0.305 0.000 0.694 2056 A CB 0.989 19.792 19.000 -0.329 0.000 1.292 2056 A HN 0.155 nan 8.150 nan 0.000 0.425 2057 K N 0.829 121.103 120.400 -0.211 0.000 2.205 2057 K HA 0.472 4.792 4.320 -0.000 0.000 0.279 2057 K C -2.435 174.039 176.600 -0.211 0.000 1.027 2057 K CA -1.892 54.289 56.287 -0.177 0.000 0.932 2057 K CB 0.659 33.100 32.500 -0.098 0.000 1.032 2057 K HN 0.291 nan 8.250 nan 0.000 0.466 2058 P HA -0.031 nan 4.420 nan 0.000 0.255 2058 P C -2.431 174.776 177.300 -0.156 0.000 1.173 2058 P CA -0.803 62.182 63.100 -0.192 0.000 0.780 2058 P CB 0.028 31.647 31.700 -0.136 0.000 0.758 2059 P HA 0.037 nan 4.420 nan 0.000 0.237 2059 P C -0.416 176.789 177.300 -0.159 0.000 1.701 2059 P CA 0.490 63.495 63.100 -0.160 0.000 0.955 2059 P CB -0.243 31.361 31.700 -0.160 0.000 1.937 2060 L N -0.760 120.383 121.223 -0.132 0.000 2.358 2060 L HA 0.651 4.991 4.340 -0.000 0.000 0.268 2060 L C 1.686 178.489 176.870 -0.111 0.000 1.032 2060 L CA -0.391 54.380 54.840 -0.115 0.000 0.805 2060 L CB 0.303 42.308 42.059 -0.090 0.000 1.253 2060 L HN 0.288 nan 8.230 nan 0.000 0.452 2061 G N 1.458 110.199 108.800 -0.098 0.000 2.629 2061 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.313 2061 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.313 2061 G C -1.624 173.212 174.900 -0.107 0.000 1.217 2061 G CA 0.384 45.432 45.100 -0.088 0.000 0.994 2061 G HN 0.618 nan 8.290 nan 0.000 0.549 2062 P HA 0.214 nan 4.420 nan 0.000 0.241 2062 P C 1.705 178.947 177.300 -0.097 0.000 1.191 2062 P CA 0.672 63.731 63.100 -0.068 0.000 0.771 2062 P CB -0.038 31.643 31.700 -0.032 0.000 0.929 2063 L N -1.260 119.887 121.223 -0.127 0.000 2.591 2063 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 2063 L C 1.566 178.287 176.870 -0.248 0.000 1.133 2063 L CA -0.229 54.520 54.840 -0.151 0.000 0.880 2063 L CB -0.186 41.798 42.059 -0.124 0.000 1.033 2063 L HN -0.054 nan 8.230 nan 0.000 0.450 2064 R N 0.515 120.825 120.500 -0.316 0.000 2.543 2064 R HA 0.006 4.346 4.340 -0.000 0.000 0.277 2064 R C -0.167 175.728 176.300 -0.675 0.000 1.074 2064 R CA -0.165 55.590 56.100 -0.575 0.000 1.076 2064 R CB 0.297 30.180 30.300 -0.695 0.000 0.993 2064 R HN 0.052 nan 8.270 nan 0.000 0.459 2065 F N -0.013 119.572 119.950 -0.608 0.000 3.074 2065 F HA -0.270 4.257 4.527 -0.000 0.000 0.289 2065 F C 0.090 174.871 175.800 -1.698 0.000 0.863 2065 F CA 1.383 58.641 58.000 -1.237 0.000 1.121 2065 F CB -2.632 36.061 39.000 -0.512 0.000 1.169 2065 F HN 0.663 nan 8.300 nan 0.000 0.570 2066 T N -3.603 110.300 114.554 -1.086 0.000 2.883 2066 T HA 0.792 5.142 4.350 -0.000 0.000 0.296 2066 T C -2.872 171.689 174.700 -0.231 0.000 1.117 2066 T CA -2.342 59.372 62.100 -0.643 0.000 1.006 2066 T CB 3.413 72.126 68.868 -0.258 0.000 1.191 2066 T HN -0.262 nan 8.240 nan 0.000 0.508 2067 P HA 0.278 nan 4.420 nan 0.000 0.269 2067 P C -2.482 174.877 177.300 0.098 0.000 1.217 2067 P CA -0.901 62.326 63.100 0.212 0.000 0.783 2067 P CB -0.615 31.213 31.700 0.213 0.000 0.898 2068 P HA 0.117 nan 4.420 nan 0.000 0.275 2068 P C -0.652 176.686 177.300 0.065 0.000 1.228 2068 P CA 0.126 63.271 63.100 0.075 0.000 0.786 2068 P CB 0.576 32.358 31.700 0.135 0.000 0.927 2069 Q N 2.456 122.267 119.800 0.019 0.000 2.226 2069 Q HA 0.453 4.793 4.340 -0.000 0.000 0.256 2069 Q C -2.191 173.826 176.000 0.028 0.000 0.962 2069 Q CA -2.005 53.812 55.803 0.023 0.000 0.887 2069 Q CB 0.541 29.275 28.738 -0.007 0.000 1.282 2069 Q HN 0.357 nan 8.270 nan 0.000 0.449 2070 P HA 0.025 nan 4.420 nan 0.000 0.271 2070 P C -1.088 176.205 177.300 -0.012 0.000 1.233 2070 P CA 0.119 63.263 63.100 0.074 0.000 0.789 2070 P CB 0.423 32.195 31.700 0.119 0.000 0.951 2071 A N 1.716 124.466 122.820 -0.116 0.000 2.309 2071 A HA 0.239 4.559 4.320 -0.000 0.000 0.298 2071 A C 0.257 177.766 177.584 -0.126 0.000 1.165 2071 A CA -0.450 51.479 52.037 -0.181 0.000 0.821 2071 A CB -0.002 18.846 19.000 -0.255 0.000 1.102 2071 A HN 0.416 nan 8.150 nan 0.000 0.500 2072 E N 2.380 122.580 120.200 -0.000 0.000 2.414 2072 E HA 0.173 4.523 4.350 -0.000 0.000 0.263 2072 E C -2.169 174.507 176.600 0.126 0.000 1.000 2072 E CA -1.183 55.253 56.400 0.061 0.000 0.914 2072 E CB -0.057 29.684 29.700 0.068 0.000 0.948 2072 E HN 0.356 nan 8.360 nan 0.000 0.444 2073 P HA 0.129 nan 4.420 nan 0.000 0.274 2073 P C -0.682 176.625 177.300 0.012 0.000 1.231 2073 P CA -0.160 62.883 63.100 -0.096 0.000 0.790 2073 P CB 0.308 31.939 31.700 -0.115 0.000 0.951 2074 W N 0.082 121.424 121.300 0.070 0.000 2.761 2074 W HA 0.665 5.325 4.660 0.000 0.000 0.340 2074 W C -0.875 175.645 176.519 0.002 0.000 1.072 2074 W CA -0.791 56.571 57.345 0.028 0.000 1.215 2074 W CB 0.068 29.560 29.460 0.053 0.000 1.420 2074 W HN 0.117 nan 8.180 nan 0.000 0.519 2075 S N 2.906 118.662 115.700 0.094 0.000 2.601 2075 S HA 0.631 5.101 4.470 -0.000 0.000 0.271 2075 S C -0.335 174.330 174.600 0.107 0.000 1.305 2075 S CA -0.180 57.955 58.200 -0.108 0.000 1.022 2075 S CB 0.192 63.109 63.200 -0.472 0.000 0.940 2075 S HN 0.474 nan 8.310 nan 0.000 0.525 2076 F N -1.004 119.036 119.950 0.149 0.000 2.183 2076 F HA -0.215 4.312 4.527 -0.000 0.000 0.318 2076 F C -0.106 175.834 175.800 0.235 0.000 0.131 2076 F CA -0.589 57.502 58.000 0.152 0.000 0.912 2076 F CB -1.549 37.525 39.000 0.122 0.000 4.135 2076 F HN 0.351 nan 8.300 nan 0.000 0.137 2077 V N 1.330 121.487 119.914 0.406 0.000 2.427 2077 V HA 0.351 4.471 4.120 -0.000 0.000 0.286 2077 V C 0.165 176.393 176.094 0.224 0.000 1.034 2077 V CA -0.999 61.483 62.300 0.303 0.000 0.893 2077 V CB 1.557 33.485 31.823 0.176 0.000 0.982 2077 V HN 0.557 nan 8.190 nan 0.000 0.452 2078 K N 4.426 124.933 120.400 0.180 0.000 2.262 2078 K HA 0.191 4.511 4.320 -0.000 0.000 0.282 2078 K C 0.090 176.670 176.600 -0.032 0.000 1.066 2078 K CA -0.466 55.762 56.287 -0.099 0.000 0.901 2078 K CB 0.421 32.580 32.500 -0.568 0.000 1.089 2078 K HN 0.712 nan 8.250 nan 0.000 0.476 2079 N N 3.382 122.050 118.700 -0.053 0.000 2.416 2079 N HA 0.024 4.764 4.740 -0.000 0.000 0.265 2079 N C -1.164 174.300 175.510 -0.077 0.000 1.195 2079 N CA 0.143 53.166 53.050 -0.044 0.000 0.943 2079 N CB 1.067 39.522 38.487 -0.054 0.000 1.115 2079 N HN 0.617 nan 8.380 nan 0.000 0.481 2080 A N 3.116 125.913 122.820 -0.038 0.000 3.215 2080 A HA 0.213 4.533 4.320 -0.000 0.000 0.320 2080 A C 0.825 178.335 177.584 -0.122 0.000 1.084 2080 A CA -0.550 51.453 52.037 -0.056 0.000 0.969 2080 A CB -0.496 18.551 19.000 0.079 0.000 1.064 2080 A HN 0.651 nan 8.150 nan 0.000 0.513 2081 T N -2.469 111.986 114.554 -0.165 0.000 3.182 2081 T HA 0.378 4.728 4.350 -0.000 0.000 0.277 2081 T C 0.308 174.844 174.700 -0.274 0.000 1.013 2081 T CA 0.370 62.338 62.100 -0.220 0.000 0.900 2081 T CB -0.552 68.211 68.868 -0.175 0.000 1.098 2081 T HN 0.834 nan 8.240 nan 0.000 0.543 2082 S N 0.326 115.854 115.700 -0.287 0.000 2.541 2082 S HA 0.637 5.107 4.470 -0.000 0.000 0.280 2082 S C -0.981 173.428 174.600 -0.320 0.000 1.112 2082 S CA -0.964 57.053 58.200 -0.306 0.000 0.925 2082 S CB 0.695 63.790 63.200 -0.176 0.000 1.067 2082 S HN 0.186 nan 8.310 nan 0.000 0.479 2083 Y N 2.785 123.019 120.300 -0.112 0.000 2.810 2083 Y HA 0.246 4.796 4.550 -0.000 0.000 0.332 2083 Y C -1.619 174.173 175.900 -0.180 0.000 1.243 2083 Y CA -0.600 57.430 58.100 -0.117 0.000 1.537 2083 Y CB -0.252 38.162 38.460 -0.077 0.000 1.265 2083 Y HN 0.550 nan 8.280 nan 0.000 0.572 2084 P HA 0.319 nan 4.420 nan 0.000 0.276 2084 P C -2.672 174.553 177.300 -0.126 0.000 1.261 2084 P CA -1.672 61.261 63.100 -0.278 0.000 0.800 2084 P CB 0.834 32.285 31.700 -0.415 0.000 1.066 2085 P HA 0.450 nan 4.420 nan 0.000 0.297 2085 P C -0.735 176.528 177.300 -0.060 0.000 1.307 2085 P CA -0.503 62.547 63.100 -0.083 0.000 0.773 2085 P CB 0.430 32.076 31.700 -0.090 0.000 1.265 2086 M N -1.637 117.911 119.600 -0.087 0.000 2.535 2086 M HA 0.558 5.038 4.480 -0.000 0.000 0.314 2086 M C -1.120 175.099 176.300 -0.135 0.000 1.153 2086 M CA -0.713 54.528 55.300 -0.099 0.000 0.924 2086 M CB 1.223 33.754 32.600 -0.116 0.000 1.710 2086 M HN 0.060 nan 8.290 nan 0.000 0.451 2087 c N 2.350 120.868 118.600 -0.137 0.000 2.676 2087 c HA 0.282 4.852 4.570 -0.000 0.000 0.416 2087 c C 1.188 175.110 174.090 -0.280 0.000 1.299 2087 c CA 0.017 56.233 56.329 -0.189 0.000 2.048 2087 c CB 0.233 42.657 42.510 -0.143 0.000 2.713 2087 c HN 0.954 nan 8.230 nan 0.000 0.624 2088 T N 2.563 116.817 114.554 -0.501 0.000 2.819 2088 T HA 0.233 4.583 4.350 -0.000 0.000 0.282 2088 T C -0.434 174.056 174.700 -0.350 0.000 1.013 2088 T CA 0.238 61.963 62.100 -0.625 0.000 1.159 2088 T CB -0.059 67.960 68.868 -1.415 0.000 1.007 2088 T HN 0.924 nan 8.240 nan 0.000 0.514 2089 Q N 0.623 120.349 119.800 -0.122 0.000 2.841 2089 Q HA 0.345 4.685 4.340 -0.000 0.000 0.309 2089 Q C -1.644 174.394 176.000 0.062 0.000 0.868 2089 Q CA -1.219 54.619 55.803 0.058 0.000 0.760 2089 Q CB 0.658 29.418 28.738 0.035 0.000 1.454 2089 Q HN 0.487 nan 8.270 nan 0.000 0.449 2090 D N 1.020 121.479 120.400 0.099 0.000 2.412 2090 D HA 0.091 4.731 4.640 -0.000 0.000 0.257 2090 D C -1.504 174.811 176.300 0.025 0.000 1.217 2090 D CA -1.367 52.676 54.000 0.072 0.000 0.897 2090 D CB 1.145 41.993 40.800 0.080 0.000 1.132 2090 D HN 0.254 nan 8.370 nan 0.000 0.493 2091 P HA -0.092 nan 4.420 nan 0.000 0.218 2091 P C 1.027 178.316 177.300 -0.017 0.000 1.149 2091 P CA 1.234 64.325 63.100 -0.014 0.000 0.817 2091 P CB 0.421 32.112 31.700 -0.016 0.000 0.785 2092 K N -0.299 120.097 120.400 -0.007 0.000 1.991 2092 K HA 0.012 4.332 4.320 -0.000 0.000 0.207 2092 K C 2.238 178.826 176.600 -0.020 0.000 1.045 2092 K CA 1.343 57.623 56.287 -0.013 0.000 0.937 2092 K CB -0.774 31.723 32.500 -0.006 0.000 0.720 2092 K HN -0.060 nan 8.250 nan 0.000 0.438 2093 A N 1.424 124.238 122.820 -0.010 0.000 1.948 2093 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 2093 A C 2.374 179.938 177.584 -0.033 0.000 1.177 2093 A CA 2.113 54.140 52.037 -0.017 0.000 0.636 2093 A CB -1.277 17.729 19.000 0.009 0.000 0.815 2093 A HN 0.470 nan 8.150 nan 0.000 0.449 2094 G N -1.243 107.541 108.800 -0.027 0.000 2.402 2094 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 2094 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 2094 G C 1.602 176.459 174.900 -0.071 0.000 1.162 2094 G CA 0.979 46.053 45.100 -0.045 0.000 0.777 2094 G HN 0.616 nan 8.290 nan 0.000 0.539 2095 Q N -0.625 119.137 119.800 -0.064 0.000 2.291 2095 Q HA 0.002 4.342 4.340 -0.000 0.000 0.205 2095 Q C 2.323 178.278 176.000 -0.074 0.000 0.970 2095 Q CA 0.687 56.447 55.803 -0.071 0.000 0.876 2095 Q CB -0.120 28.585 28.738 -0.055 0.000 0.935 2095 Q HN 0.408 nan 8.270 nan 0.000 0.455 2096 L N 0.131 121.311 121.223 -0.072 0.000 2.044 2096 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 2096 L C 1.994 178.789 176.870 -0.126 0.000 1.075 2096 L CA 1.319 56.112 54.840 -0.078 0.000 0.747 2096 L CB -0.698 41.318 42.059 -0.071 0.000 0.903 2096 L HN 0.337 nan 8.230 nan 0.000 0.435 2097 L N -1.008 120.119 121.223 -0.160 0.000 2.046 2097 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 2097 L C 2.691 179.403 176.870 -0.262 0.000 1.077 2097 L CA 2.064 56.737 54.840 -0.279 0.000 0.747 2097 L CB -0.938 40.986 42.059 -0.225 0.000 0.896 2097 L HN 0.446 nan 8.230 nan 0.000 0.432 2098 S N -0.772 114.827 115.700 -0.169 0.000 2.370 2098 S HA -0.230 4.240 4.470 -0.000 0.000 0.226 2098 S C 1.872 176.386 174.600 -0.143 0.000 1.033 2098 S CA 1.666 59.765 58.200 -0.169 0.000 1.011 2098 S CB -0.306 62.801 63.200 -0.156 0.000 0.852 2098 S HN 0.648 nan 8.310 nan 0.000 0.457 2099 E N 0.180 120.319 120.200 -0.102 0.000 2.204 2099 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 2099 E C 1.909 178.514 176.600 0.008 0.000 0.989 2099 E CA 0.993 57.364 56.400 -0.047 0.000 0.824 2099 E CB -0.117 29.566 29.700 -0.029 0.000 0.756 2099 E HN 0.507 nan 8.360 nan 0.000 0.477 2100 L N -0.574 120.633 121.223 -0.027 0.000 2.375 2100 L HA 0.018 4.358 4.340 -0.000 0.000 0.215 2100 L C 1.565 178.613 176.870 0.297 0.000 1.108 2100 L CA 0.202 55.092 54.840 0.083 0.000 0.830 2100 L CB 0.136 42.166 42.059 -0.048 0.000 0.959 2100 L HN 0.101 nan 8.230 nan 0.000 0.457 2101 F N -0.789 119.134 119.950 -0.044 0.000 2.559 2101 F HA 0.138 4.665 4.527 -0.000 0.000 0.286 2101 F C 1.695 177.203 175.800 -0.487 0.000 1.108 2101 F CA -0.456 57.390 58.000 -0.258 0.000 1.436 2101 F CB -0.654 38.181 39.000 -0.276 0.000 1.130 2101 F HN -0.200 nan 8.300 nan 0.000 0.584 2102 T N 2.692 117.122 114.554 -0.207 0.000 2.903 2102 T HA -0.119 4.231 4.350 -0.000 0.000 0.299 2102 T C 1.089 175.647 174.700 -0.238 0.000 1.041 2102 T CA 0.348 62.257 62.100 -0.318 0.000 1.138 2102 T CB 0.098 68.838 68.868 -0.213 0.000 1.040 2102 T HN 0.398 nan 8.240 nan 0.000 0.524 2103 N N 4.089 122.603 118.700 -0.309 0.000 2.238 2103 N HA 0.082 4.822 4.740 -0.000 0.000 0.222 2103 N C 0.097 175.500 175.510 -0.178 0.000 1.133 2103 N CA -0.342 52.569 53.050 -0.232 0.000 0.854 2103 N CB 0.227 38.568 38.487 -0.244 0.000 1.041 2103 N HN 0.511 nan 8.380 nan 0.000 0.510 2104 R N 0.435 120.847 120.500 -0.146 0.000 2.573 2104 R HA 0.259 4.599 4.340 -0.000 0.000 0.272 2104 R C 1.195 177.464 176.300 -0.052 0.000 1.009 2104 R CA -0.692 55.355 56.100 -0.087 0.000 1.059 2104 R CB 1.781 32.031 30.300 -0.085 0.000 1.112 2104 R HN 0.010 nan 8.270 nan 0.000 0.517 2105 K N 1.429 121.823 120.400 -0.011 0.000 1.973 2105 K HA -0.122 4.198 4.320 -0.000 0.000 0.212 2105 K C -0.229 176.385 176.600 0.023 0.000 1.047 2105 K CA 1.497 57.801 56.287 0.029 0.000 0.937 2105 K CB 0.176 32.704 32.500 0.047 0.000 0.721 2105 K HN 0.494 nan 8.250 nan 0.000 0.440 2106 E N 1.359 121.564 120.200 0.007 0.000 2.216 2106 E HA 0.079 4.429 4.350 -0.000 0.000 0.279 2106 E C -0.925 175.653 176.600 -0.036 0.000 0.997 2106 E CA -0.738 55.660 56.400 -0.003 0.000 0.817 2106 E CB 1.304 31.006 29.700 0.003 0.000 1.096 2106 E HN 0.169 nan 8.360 nan 0.000 0.393 2107 N N 2.228 120.902 118.700 -0.043 0.000 2.503 2107 N HA 0.171 4.911 4.740 -0.000 0.000 0.267 2107 N C -1.070 174.382 175.510 -0.097 0.000 1.214 2107 N CA -0.044 52.956 53.050 -0.082 0.000 0.959 2107 N CB 0.582 39.027 38.487 -0.070 0.000 1.142 2107 N HN 0.391 nan 8.380 nan 0.000 0.455 2108 I N 3.215 123.691 120.570 -0.156 0.000 2.336 2108 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 2108 I C -1.922 174.104 176.117 -0.150 0.000 0.991 2108 I CA -2.076 59.120 61.300 -0.173 0.000 1.227 2108 I CB 1.675 39.476 38.000 -0.333 0.000 1.366 2108 I HN 0.488 nan 8.210 nan 0.000 0.466 2109 P HA 0.303 nan 4.420 nan 0.000 0.282 2109 P C -0.939 176.312 177.300 -0.081 0.000 1.274 2109 P CA -0.076 62.977 63.100 -0.079 0.000 0.770 2109 P CB 0.614 32.283 31.700 -0.051 0.000 0.867 2110 L N 3.123 124.293 121.223 -0.089 0.000 2.352 2110 L HA 0.529 4.869 4.340 -0.000 0.000 0.269 2110 L C 0.873 177.701 176.870 -0.071 0.000 1.034 2110 L CA -1.168 53.623 54.840 -0.083 0.000 0.806 2110 L CB 1.101 43.099 42.059 -0.101 0.000 1.244 2110 L HN 0.189 nan 8.230 nan 0.000 0.447 2111 K N 1.804 122.163 120.400 -0.069 0.000 2.095 2111 K HA 0.582 4.902 4.320 -0.000 0.000 0.252 2111 K C -0.761 175.787 176.600 -0.086 0.000 0.977 2111 K CA -0.567 55.678 56.287 -0.070 0.000 0.900 2111 K CB 1.763 34.222 32.500 -0.068 0.000 1.060 2111 K HN 0.422 nan 8.250 nan 0.000 0.449 2112 L N 0.986 122.153 121.223 -0.092 0.000 2.295 2112 L HA 0.412 4.752 4.340 -0.000 0.000 0.285 2112 L C 0.207 176.991 176.870 -0.143 0.000 1.035 2112 L CA -0.396 54.369 54.840 -0.124 0.000 0.806 2112 L CB 1.678 43.664 42.059 -0.121 0.000 1.214 2112 L HN 0.635 nan 8.230 nan 0.000 0.426 2113 S N 1.079 116.667 115.700 -0.186 0.000 2.578 2113 S HA 0.211 4.681 4.470 -0.000 0.000 0.272 2113 S C 0.085 174.525 174.600 -0.266 0.000 1.145 2113 S CA -0.588 57.497 58.200 -0.192 0.000 0.835 2113 S CB 1.602 64.730 63.200 -0.120 0.000 1.104 2113 S HN 0.744 nan 8.310 nan 0.000 0.458 2114 E N 0.664 120.699 120.200 -0.275 0.000 2.285 2114 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 2114 E C -0.379 176.102 176.600 -0.199 0.000 0.997 2114 E CA 0.358 56.567 56.400 -0.318 0.000 0.845 2114 E CB 0.109 29.653 29.700 -0.259 0.000 0.782 2114 E HN 0.511 nan 8.360 nan 0.000 0.491 2115 D N 0.525 120.847 120.400 -0.131 0.000 2.470 2115 D HA -0.000 4.640 4.640 -0.000 0.000 0.226 2115 D C 0.029 176.347 176.300 0.031 0.000 1.196 2115 D CA -0.297 53.662 54.000 -0.068 0.000 0.979 2115 D CB 0.016 40.805 40.800 -0.019 0.000 1.059 2115 D HN 0.154 nan 8.370 nan 0.000 0.515 2116 c N 2.303 120.875 118.600 -0.047 0.000 3.865 2116 c HA 0.353 4.923 4.570 -0.000 0.000 0.297 2116 c C 0.831 174.889 174.090 -0.054 0.000 1.758 2116 c CA -0.656 55.714 56.329 0.067 0.000 1.778 2116 c CB -1.286 41.206 42.510 -0.030 0.000 3.158 2116 c HN 0.443 nan 8.230 nan 0.000 0.598 2117 L N 2.465 123.416 121.223 -0.454 0.000 2.376 2117 L HA 0.315 4.655 4.340 -0.000 0.000 0.250 2117 L C -0.684 175.470 176.870 -1.194 0.000 1.335 2117 L CA 0.681 55.052 54.840 -0.782 0.000 1.214 2117 L CB -0.902 40.565 42.059 -0.986 0.000 1.395 2117 L HN 0.418 nan 8.230 nan 0.000 0.424 2118 Y N 1.542 121.728 120.300 -0.191 0.000 2.633 2118 Y HA 0.714 5.264 4.550 -0.000 0.000 0.339 2118 Y C -0.050 175.980 175.900 0.217 0.000 1.045 2118 Y CA -1.245 56.829 58.100 -0.043 0.000 1.098 2118 Y CB 1.856 40.268 38.460 -0.079 0.000 1.296 2118 Y HN 0.143 nan 8.280 nan 0.000 0.494 2119 L N -0.372 121.009 121.223 0.262 0.000 2.424 2119 L HA 0.747 5.087 4.340 -0.000 0.000 0.258 2119 L C -1.546 175.358 176.870 0.058 0.000 0.995 2119 L CA -1.075 53.841 54.840 0.127 0.000 0.821 2119 L CB 1.890 43.917 42.059 -0.054 0.000 1.383 2119 L HN 0.400 nan 8.230 nan 0.000 0.410 2120 N N 1.820 120.578 118.700 0.098 0.000 2.314 2120 N HA 0.723 5.463 4.740 -0.000 0.000 0.304 2120 N C -1.215 174.320 175.510 0.041 0.000 1.073 2120 N CA -0.220 52.867 53.050 0.063 0.000 0.822 2120 N CB 2.575 41.176 38.487 0.190 0.000 1.280 2120 N HN 0.685 nan 8.380 nan 0.000 0.489 2121 I N 1.783 122.295 120.570 -0.097 0.000 2.465 2121 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 2121 I C -1.086 174.933 176.117 -0.165 0.000 1.014 2121 I CA -0.778 60.504 61.300 -0.030 0.000 1.093 2121 I CB 1.209 39.129 38.000 -0.134 0.000 1.267 2121 I HN 0.325 nan 8.210 nan 0.000 0.431 2122 Y N 3.306 123.718 120.300 0.187 0.000 2.376 2122 Y HA 0.394 4.944 4.550 -0.000 0.000 0.326 2122 Y C 0.264 176.284 175.900 0.199 0.000 0.970 2122 Y CA -0.700 57.508 58.100 0.180 0.000 1.248 2122 Y CB 1.998 40.545 38.460 0.145 0.000 1.117 2122 Y HN 0.372 nan 8.280 nan 0.000 0.476 2123 T N 4.985 119.740 114.554 0.334 0.000 2.809 2123 T HA 0.344 4.694 4.350 -0.000 0.000 0.284 2123 T C -2.186 172.668 174.700 0.257 0.000 0.992 2123 T CA -2.372 59.914 62.100 0.310 0.000 0.957 2123 T CB 1.284 70.383 68.868 0.384 0.000 0.942 2123 T HN 0.312 nan 8.240 nan 0.000 0.439 2124 P HA 0.262 nan 4.420 nan 0.000 0.240 2124 P C 0.374 177.769 177.300 0.159 0.000 1.190 2124 P CA -0.052 63.138 63.100 0.150 0.000 0.781 2124 P CB -0.017 31.740 31.700 0.094 0.000 0.931 2125 A N 0.825 123.752 122.820 0.179 0.000 2.466 2125 A HA 0.095 4.415 4.320 -0.000 0.000 0.238 2125 A C 0.057 177.746 177.584 0.175 0.000 1.074 2125 A CA 0.135 52.269 52.037 0.161 0.000 0.774 2125 A CB -0.591 18.509 19.000 0.166 0.000 1.015 2125 A HN 0.040 nan 8.150 nan 0.000 0.498 2126 D N 1.617 122.099 120.400 0.137 0.000 2.479 2126 D HA 0.360 5.000 4.640 -0.000 0.000 0.218 2126 D C 1.016 177.394 176.300 0.131 0.000 1.131 2126 D CA -0.229 53.851 54.000 0.134 0.000 0.916 2126 D CB -0.138 40.713 40.800 0.085 0.000 1.022 2126 D HN 0.408 nan 8.370 nan 0.000 0.515 2127 L N 2.267 123.593 121.223 0.172 0.000 2.357 2127 L HA -0.168 4.172 4.340 -0.000 0.000 0.220 2127 L C 2.083 179.006 176.870 0.089 0.000 1.123 2127 L CA 1.422 56.340 54.840 0.130 0.000 0.782 2127 L CB -0.996 41.158 42.059 0.158 0.000 0.910 2127 L HN 0.512 nan 8.230 nan 0.000 0.442 2128 T N -3.271 111.340 114.554 0.094 0.000 3.380 2128 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 2128 T C 0.376 175.103 174.700 0.046 0.000 1.082 2128 T CA -0.040 62.099 62.100 0.065 0.000 0.968 2128 T CB -0.127 68.778 68.868 0.062 0.000 1.027 2128 T HN 0.294 nan 8.240 nan 0.000 0.575 2129 K N -0.209 120.218 120.400 0.046 0.000 2.615 2129 K HA 0.375 4.695 4.320 -0.000 0.000 0.291 2129 K C -1.268 175.353 176.600 0.035 0.000 1.017 2129 K CA -1.066 55.243 56.287 0.035 0.000 0.882 2129 K CB 1.888 34.410 32.500 0.037 0.000 1.522 2129 K HN 0.025 nan 8.250 nan 0.000 0.412 2130 K N 1.502 121.918 120.400 0.027 0.000 2.295 2130 K HA 0.183 4.503 4.320 -0.000 0.000 0.270 2130 K C -0.827 175.796 176.600 0.038 0.000 1.011 2130 K CA 0.026 56.329 56.287 0.026 0.000 0.953 2130 K CB 0.464 32.974 32.500 0.017 0.000 0.956 2130 K HN 0.463 nan 8.250 nan 0.000 0.477 2131 N N 2.762 121.489 118.700 0.046 0.000 2.452 2131 N HA 0.196 4.936 4.740 -0.000 0.000 0.277 2131 N C -1.463 174.085 175.510 0.062 0.000 1.078 2131 N CA -0.591 52.494 53.050 0.059 0.000 0.947 2131 N CB 1.791 40.326 38.487 0.080 0.000 1.655 2131 N HN 0.541 nan 8.380 nan 0.000 0.490 2132 R N 1.998 122.532 120.500 0.057 0.000 2.886 2132 R HA 0.388 4.728 4.340 -0.000 0.000 0.306 2132 R C -0.160 176.179 176.300 0.065 0.000 1.300 2132 R CA -0.377 55.757 56.100 0.056 0.000 1.441 2132 R CB 0.592 30.913 30.300 0.035 0.000 1.328 2132 R HN 0.345 nan 8.270 nan 0.000 0.629 2133 L N 1.966 123.240 121.223 0.086 0.000 2.461 2133 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 2133 L C -1.827 175.103 176.870 0.100 0.000 1.197 2133 L CA -1.733 53.162 54.840 0.092 0.000 0.836 2133 L CB 0.153 42.279 42.059 0.111 0.000 1.105 2133 L HN -0.093 nan 8.230 nan 0.000 0.477 2134 P HA 0.071 nan 4.420 nan 0.000 0.270 2134 P C -0.851 176.536 177.300 0.144 0.000 1.223 2134 P CA -0.084 63.080 63.100 0.107 0.000 0.785 2134 P CB 0.774 32.529 31.700 0.092 0.000 0.923 2135 V N 3.138 123.153 119.914 0.169 0.000 2.495 2135 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 2135 V C 0.243 176.489 176.094 0.253 0.000 1.031 2135 V CA -0.346 62.075 62.300 0.201 0.000 0.871 2135 V CB 1.464 33.399 31.823 0.185 0.000 0.988 2135 V HN 0.408 nan 8.190 nan 0.000 0.432 2136 M N 4.576 124.365 119.600 0.316 0.000 2.046 2136 M HA 0.462 4.942 4.480 -0.000 0.000 0.309 2136 M C -1.117 175.403 176.300 0.365 0.000 0.935 2136 M CA -0.536 55.080 55.300 0.526 0.000 0.915 2136 M CB 1.853 34.877 32.600 0.707 0.000 1.474 2136 M HN 0.381 nan 8.290 nan 0.000 0.415 2137 V N 3.509 123.482 119.914 0.098 0.000 2.406 2137 V HA 0.268 4.388 4.120 -0.000 0.000 0.272 2137 V C -0.489 175.295 176.094 -0.516 0.000 1.043 2137 V CA -0.486 61.755 62.300 -0.098 0.000 0.915 2137 V CB 1.004 32.783 31.823 -0.073 0.000 0.988 2137 V HN 0.826 nan 8.190 nan 0.000 0.466 2138 W N 6.978 127.915 121.300 -0.604 0.000 2.390 2138 W HA 0.607 5.267 4.660 -0.000 0.000 0.312 2138 W C -1.181 175.126 176.519 -0.353 0.000 1.123 2138 W CA -0.896 56.017 57.345 -0.719 0.000 1.202 2138 W CB 1.313 30.607 29.460 -0.278 0.000 1.251 2138 W HN 0.435 nan 8.180 nan 0.000 0.511 2139 I N 7.982 127.865 120.570 -1.145 0.000 2.405 2139 I HA 0.043 4.213 4.170 -0.000 0.000 0.280 2139 I C 1.085 176.549 176.117 -1.088 0.000 1.027 2139 I CA -0.781 60.027 61.300 -0.819 0.000 1.161 2139 I CB 0.602 38.232 38.000 -0.617 0.000 1.300 2139 I HN 0.410 nan 8.210 nan 0.000 0.463 2140 H N 4.621 123.291 119.070 -0.668 0.000 2.871 2140 H HA 0.283 4.838 4.556 -0.000 0.000 0.377 2140 H C -0.097 175.194 175.328 -0.062 0.000 1.307 2140 H CA -0.130 55.698 56.048 -0.366 0.000 1.449 2140 H CB 0.785 30.617 29.762 0.117 0.000 1.452 2140 H HN 0.581 nan 8.280 nan 0.000 0.619 2141 G N -2.282 106.685 108.800 0.278 0.000 2.667 2141 G HA2 0.500 4.460 3.960 -0.000 0.000 0.310 2141 G HA3 0.500 4.460 3.960 -0.000 0.000 0.310 2141 G C 0.183 175.352 174.900 0.449 0.000 1.259 2141 G CA -0.748 44.515 45.100 0.272 0.000 1.019 2141 G HN 1.109 nan 8.290 nan 0.000 0.496 2142 G N -2.473 106.519 108.800 0.320 0.000 3.034 2142 G HA2 0.434 4.394 3.960 -0.000 0.000 0.222 2142 G HA3 0.434 4.394 3.960 -0.000 0.000 0.222 2142 G C 0.957 175.954 174.900 0.162 0.000 0.980 2142 G CA 0.869 46.126 45.100 0.262 0.000 1.008 2142 G HN 2.297 nan 8.290 nan 0.000 0.632 2143 G N 0.290 109.167 108.800 0.128 0.000 2.187 2143 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.261 2143 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.261 2143 G C 1.060 175.938 174.900 -0.037 0.000 1.000 2143 G CA 0.565 45.687 45.100 0.037 0.000 0.718 2143 G HN 1.694 nan 8.290 nan 0.000 0.519 2144 L N -3.227 118.002 121.223 0.010 0.000 4.040 2144 L HA -0.259 4.081 4.340 -0.000 0.000 0.410 2144 L C 1.798 178.701 176.870 0.055 0.000 1.187 2144 L CA 1.461 56.283 54.840 -0.030 0.000 0.956 2144 L CB -1.409 40.343 42.059 -0.513 0.000 2.022 2144 L HN 0.471 nan 8.230 nan 0.000 0.897 2145 M N -1.869 117.792 119.600 0.102 0.000 2.180 2145 M HA 0.296 4.776 4.480 -0.000 0.000 0.266 2145 M C 0.684 177.074 176.300 0.151 0.000 1.200 2145 M CA 1.015 56.393 55.300 0.130 0.000 1.101 2145 M CB 0.750 33.403 32.600 0.087 0.000 1.769 2145 M HN 0.173 nan 8.290 nan 0.000 0.609 2146 V N -1.998 117.999 119.914 0.139 0.000 3.156 2146 V HA 1.066 5.186 4.120 -0.000 0.000 0.311 2146 V C -0.108 176.070 176.094 0.140 0.000 1.208 2146 V CA -0.237 62.126 62.300 0.105 0.000 1.063 2146 V CB 1.165 33.029 31.823 0.069 0.000 1.098 2146 V HN 0.546 nan 8.190 nan 0.000 0.452 2147 G N -0.939 107.873 108.800 0.020 0.000 2.440 2147 G HA2 0.599 4.559 3.960 -0.000 0.000 0.684 2147 G HA3 0.599 4.559 3.960 -0.000 0.000 0.684 2147 G C -0.649 173.939 174.900 -0.521 0.000 1.309 2147 G CA -0.186 44.828 45.100 -0.143 0.000 0.931 2147 G HN 2.712 nan 8.290 nan 0.000 0.612 2148 A N -1.225 121.119 122.820 -0.793 0.000 2.599 2148 A HA 1.010 5.330 4.320 -0.000 0.000 0.294 2148 A C 0.717 178.155 177.584 -0.242 0.000 1.055 2148 A CA 0.805 52.539 52.037 -0.504 0.000 0.683 2148 A CB 0.770 19.635 19.000 -0.224 0.000 1.278 2148 A HN 2.568 nan 8.150 nan 0.000 0.412 2149 A N 0.499 123.320 122.820 0.003 0.000 1.929 2149 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 2149 A C 1.943 179.672 177.584 0.242 0.000 1.176 2149 A CA 2.312 54.501 52.037 0.253 0.000 0.628 2149 A CB -0.721 18.440 19.000 0.269 0.000 0.816 2149 A HN 1.284 nan 8.150 nan 0.000 0.444 2150 S N -0.127 115.634 115.700 0.101 0.000 2.493 2150 S HA -0.106 4.364 4.470 -0.000 0.000 0.243 2150 S C 1.770 176.275 174.600 -0.158 0.000 0.991 2150 S CA 1.429 59.621 58.200 -0.013 0.000 0.957 2150 S CB -0.471 62.630 63.200 -0.165 0.000 0.756 2150 S HN 0.693 nan 8.310 nan 0.000 0.521 2151 T N 0.913 115.388 114.554 -0.131 0.000 2.737 2151 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 2151 T C 0.046 174.451 174.700 -0.492 0.000 1.038 2151 T CA 0.977 62.862 62.100 -0.358 0.000 1.144 2151 T CB -0.239 68.330 68.868 -0.499 0.000 0.866 2151 T HN 0.394 nan 8.240 nan 0.000 0.434 2152 Y N 2.059 122.190 120.300 -0.282 0.000 2.404 2152 Y HA 0.431 4.981 4.550 -0.000 0.000 0.344 2152 Y C 0.136 175.765 175.900 -0.451 0.000 0.995 2152 Y CA -2.092 55.650 58.100 -0.597 0.000 1.201 2152 Y CB 0.155 37.976 38.460 -1.065 0.000 1.151 2152 Y HN -0.048 nan 8.280 nan 0.000 0.517 2153 D N 2.426 122.632 120.400 -0.324 0.000 2.313 2153 D HA 0.242 4.882 4.640 -0.000 0.000 0.239 2153 D C 0.737 176.789 176.300 -0.412 0.000 1.142 2153 D CA -0.334 53.487 54.000 -0.298 0.000 0.847 2153 D CB 1.327 42.039 40.800 -0.146 0.000 1.082 2153 D HN 0.817 nan 8.370 nan 0.000 0.480 2154 G N 3.236 111.459 108.800 -0.962 0.000 3.518 2154 G HA2 0.003 3.963 3.960 -0.000 0.000 0.273 2154 G HA3 0.003 3.963 3.960 -0.000 0.000 0.273 2154 G C 1.120 175.745 174.900 -0.459 0.000 1.199 2154 G CA -0.223 44.514 45.100 -0.605 0.000 0.899 2154 G HN 0.482 nan 8.290 nan 0.000 0.533 2155 L N 1.022 122.049 121.223 -0.327 0.000 2.027 2155 L HA 0.194 4.534 4.340 -0.000 0.000 0.206 2155 L C 2.809 179.646 176.870 -0.054 0.000 1.074 2155 L CA 2.364 57.190 54.840 -0.024 0.000 0.745 2155 L CB -0.441 41.653 42.059 0.058 0.000 0.898 2155 L HN 0.194 nan 8.230 nan 0.000 0.433 2156 A N -0.435 122.353 122.820 -0.053 0.000 1.845 2156 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 2156 A C 2.246 179.819 177.584 -0.018 0.000 1.195 2156 A CA 1.920 53.950 52.037 -0.011 0.000 0.616 2156 A CB -1.242 17.715 19.000 -0.072 0.000 0.832 2156 A HN 0.480 nan 8.150 nan 0.000 0.443 2157 L N -0.077 121.075 121.223 -0.119 0.000 2.043 2157 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 2157 L C 2.636 179.472 176.870 -0.056 0.000 1.075 2157 L CA 2.431 57.185 54.840 -0.143 0.000 0.752 2157 L CB -0.883 41.051 42.059 -0.209 0.000 0.891 2157 L HN 0.385 nan 8.230 nan 0.000 0.432 2158 A N -0.383 122.425 122.820 -0.021 0.000 1.851 2158 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 2158 A C 2.477 180.037 177.584 -0.039 0.000 1.195 2158 A CA 2.329 54.384 52.037 0.029 0.000 0.622 2158 A CB -1.400 17.666 19.000 0.111 0.000 0.831 2158 A HN 0.618 nan 8.150 nan 0.000 0.444 2159 A N -1.096 121.622 122.820 -0.170 0.000 1.877 2159 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 2159 A C 2.089 179.394 177.584 -0.466 0.000 1.186 2159 A CA 1.645 53.410 52.037 -0.453 0.000 0.620 2159 A CB -1.032 17.418 19.000 -0.917 0.000 0.822 2159 A HN 0.718 nan 8.150 nan 0.000 0.443 2160 H N -0.676 118.168 119.070 -0.377 0.000 2.299 2160 H HA -0.035 4.521 4.556 -0.000 0.000 0.302 2160 H C 1.129 176.433 175.328 -0.041 0.000 1.078 2160 H CA 1.530 57.490 56.048 -0.147 0.000 1.323 2160 H CB 0.060 29.666 29.762 -0.260 0.000 1.381 2160 H HN 0.422 nan 8.280 nan 0.000 0.498 2161 E N 0.645 120.881 120.200 0.059 0.000 2.463 2161 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 2161 E C -0.024 176.607 176.600 0.052 0.000 1.041 2161 E CA -0.257 56.170 56.400 0.045 0.000 0.879 2161 E CB -0.309 29.400 29.700 0.015 0.000 0.997 2161 E HN 0.316 nan 8.360 nan 0.000 0.478 2162 N N 0.567 119.296 118.700 0.050 0.000 2.696 2162 N HA -0.173 4.567 4.740 -0.000 0.000 0.256 2162 N C -0.889 174.669 175.510 0.081 0.000 1.031 2162 N CA 0.818 53.907 53.050 0.066 0.000 0.730 2162 N CB -1.349 37.182 38.487 0.073 0.000 0.894 2162 N HN 0.079 nan 8.380 nan 0.000 0.544 2163 V N -3.133 116.835 119.914 0.090 0.000 3.102 2163 V HA 0.813 4.933 4.120 -0.000 0.000 0.312 2163 V C 0.284 176.471 176.094 0.154 0.000 1.135 2163 V CA -1.050 61.321 62.300 0.119 0.000 1.022 2163 V CB 2.303 34.196 31.823 0.117 0.000 1.056 2163 V HN -0.070 nan 8.190 nan 0.000 0.436 2164 V N 2.274 122.298 119.914 0.182 0.000 2.364 2164 V HA 0.431 4.551 4.120 -0.000 0.000 0.272 2164 V C 0.102 176.344 176.094 0.247 0.000 1.036 2164 V CA -0.312 62.119 62.300 0.219 0.000 0.880 2164 V CB 1.149 33.100 31.823 0.214 0.000 0.991 2164 V HN 0.715 nan 8.190 nan 0.000 0.460 2165 V N 6.209 126.297 119.914 0.290 0.000 2.439 2165 V HA 0.483 4.603 4.120 -0.000 0.000 0.282 2165 V C -0.082 176.233 176.094 0.369 0.000 1.039 2165 V CA -0.392 62.108 62.300 0.333 0.000 0.913 2165 V CB 1.841 33.841 31.823 0.296 0.000 0.983 2165 V HN 0.611 nan 8.190 nan 0.000 0.460 2166 V N 3.840 123.937 119.914 0.304 0.000 2.531 2166 V HA 0.516 4.636 4.120 -0.000 0.000 0.301 2166 V C 0.033 176.273 176.094 0.243 0.000 1.034 2166 V CA -0.568 61.876 62.300 0.240 0.000 0.865 2166 V CB 2.248 34.154 31.823 0.138 0.000 0.995 2166 V HN 0.982 nan 8.190 nan 0.000 0.424 2167 T N 3.319 118.045 114.554 0.286 0.000 2.772 2167 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 2167 T C -0.380 174.450 174.700 0.218 0.000 0.994 2167 T CA -0.466 61.817 62.100 0.305 0.000 0.951 2167 T CB 0.948 70.047 68.868 0.386 0.000 0.933 2167 T HN 0.629 nan 8.240 nan 0.000 0.447 2168 I N 0.550 121.211 120.570 0.152 0.000 2.793 2168 I HA 0.670 4.840 4.170 -0.000 0.000 0.313 2168 I C -0.438 175.842 176.117 0.271 0.000 0.998 2168 I CA -1.244 60.135 61.300 0.131 0.000 1.140 2168 I CB 1.525 39.493 38.000 -0.054 0.000 1.327 2168 I HN 0.522 nan 8.210 nan 0.000 0.491 2169 Q N 2.053 122.056 119.800 0.338 0.000 2.399 2169 Q HA 0.602 4.942 4.340 -0.000 0.000 0.276 2169 Q C -1.797 174.451 176.000 0.414 0.000 1.098 2169 Q CA -0.767 55.233 55.803 0.328 0.000 0.827 2169 Q CB 2.732 31.607 28.738 0.228 0.000 1.386 2169 Q HN 0.720 nan 8.270 nan 0.000 0.443 2170 Y N -2.692 117.749 120.300 0.236 0.000 2.638 2170 Y HA 0.572 5.122 4.550 -0.000 0.000 0.335 2170 Y C -0.923 175.059 175.900 0.137 0.000 1.155 2170 Y CA -1.528 56.676 58.100 0.173 0.000 1.046 2170 Y CB 0.841 39.356 38.460 0.092 0.000 1.303 2170 Y HN 0.382 nan 8.280 nan 0.000 0.460 2171 R N 1.624 122.231 120.500 0.179 0.000 2.590 2171 R HA 0.528 4.868 4.340 -0.000 0.000 0.274 2171 R C -0.882 175.537 176.300 0.199 0.000 1.061 2171 R CA -0.174 55.992 56.100 0.110 0.000 1.081 2171 R CB 0.361 30.730 30.300 0.115 0.000 0.984 2171 R HN 0.666 nan 8.270 nan 0.000 0.448 2172 L N 0.753 122.120 121.223 0.241 0.000 2.256 2172 L HA 0.545 4.885 4.340 -0.000 0.000 0.261 2172 L C 1.209 178.402 176.870 0.538 0.000 1.022 2172 L CA -0.737 54.348 54.840 0.408 0.000 0.828 2172 L CB 1.343 43.544 42.059 0.236 0.000 1.374 2172 L HN 0.872 nan 8.230 nan 0.000 0.436 2173 G N 0.356 109.469 108.800 0.522 0.000 2.602 2173 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.306 2173 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.306 2173 G C 0.861 176.040 174.900 0.465 0.000 1.301 2173 G CA 0.630 45.987 45.100 0.427 0.000 0.974 2173 G HN 0.678 nan 8.290 nan 0.000 0.547 2174 I N -0.697 120.062 120.570 0.316 0.000 2.145 2174 I HA -0.241 3.929 4.170 -0.000 0.000 0.244 2174 I C 2.804 179.152 176.117 0.385 0.000 1.075 2174 I CA 2.547 63.973 61.300 0.210 0.000 1.332 2174 I CB -0.379 37.499 38.000 -0.204 0.000 1.033 2174 I HN 0.560 nan 8.210 nan 0.000 0.410 2175 W N 0.628 122.124 121.300 0.327 0.000 2.350 2175 W HA -0.115 4.545 4.660 -0.000 0.000 0.289 2175 W C 2.182 178.818 176.519 0.195 0.000 1.215 2175 W CA 1.327 58.774 57.345 0.170 0.000 1.236 2175 W CB -0.703 28.769 29.460 0.020 0.000 1.130 2175 W HN 0.271 nan 8.180 nan 0.000 0.541 2176 G N -3.004 106.036 108.800 0.400 0.000 3.228 2176 G HA2 0.161 4.121 3.960 -0.000 0.000 0.245 2176 G HA3 0.161 4.121 3.960 -0.000 0.000 0.245 2176 G C 0.466 175.009 174.900 -0.595 0.000 1.051 2176 G CA -0.088 45.010 45.100 -0.003 0.000 0.809 2176 G HN 0.092 nan 8.290 nan 0.000 0.531 2177 F N -0.850 119.347 119.950 0.411 0.000 2.915 2177 F HA 0.409 4.936 4.527 -0.000 0.000 0.347 2177 F C 0.301 176.194 175.800 0.154 0.000 1.104 2177 F CA -1.685 56.407 58.000 0.153 0.000 1.126 2177 F CB 0.246 39.264 39.000 0.031 0.000 1.145 2177 F HN 0.018 nan 8.300 nan 0.000 0.541 2178 F N 2.140 122.289 119.950 0.331 0.000 2.602 2178 F HA 0.339 4.866 4.527 -0.000 0.000 0.385 2178 F C 0.476 176.361 175.800 0.141 0.000 1.063 2178 F CA 0.398 58.495 58.000 0.163 0.000 1.233 2178 F CB 0.442 39.413 39.000 -0.048 0.000 1.067 2178 F HN -0.086 nan 8.300 nan 0.000 0.564 2179 S N 3.276 118.525 115.700 -0.750 0.000 2.549 2179 S HA 0.448 4.918 4.470 -0.000 0.000 0.280 2179 S C 0.290 174.477 174.600 -0.689 0.000 1.109 2179 S CA -0.034 57.837 58.200 -0.548 0.000 0.905 2179 S CB 1.581 64.602 63.200 -0.299 0.000 1.081 2179 S HN 0.822 nan 8.310 nan 0.000 0.477 2180 T N 0.011 114.347 114.554 -0.364 0.000 3.010 2180 T HA 0.416 4.766 4.350 -0.000 0.000 0.257 2180 T C 1.408 176.043 174.700 -0.109 0.000 1.020 2180 T CA 0.681 62.655 62.100 -0.211 0.000 0.938 2180 T CB 0.091 68.945 68.868 -0.023 0.000 1.049 2180 T HN 1.829 nan 8.240 nan 0.000 0.522 2181 G N 2.372 111.102 108.800 -0.115 0.000 2.162 2181 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.260 2181 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.260 2181 G C -0.319 174.551 174.900 -0.050 0.000 0.976 2181 G CA 0.381 45.432 45.100 -0.081 0.000 0.655 2181 G HN 0.974 nan 8.290 nan 0.000 0.533 2182 D N -1.706 118.676 120.400 -0.030 0.000 2.652 2182 D HA 0.421 5.061 4.640 -0.000 0.000 0.285 2182 D C 1.103 177.367 176.300 -0.059 0.000 1.173 2182 D CA -0.209 53.766 54.000 -0.042 0.000 0.981 2182 D CB -0.149 40.638 40.800 -0.021 0.000 1.440 2182 D HN 0.123 nan 8.370 nan 0.000 0.485 2183 E N -0.227 119.880 120.200 -0.156 0.000 2.533 2183 E HA -0.200 4.150 4.350 -0.000 0.000 0.203 2183 E C 0.100 176.603 176.600 -0.161 0.000 1.101 2183 E CA 0.853 57.158 56.400 -0.158 0.000 0.894 2183 E CB -0.596 28.988 29.700 -0.194 0.000 0.843 2183 E HN 0.470 nan 8.360 nan 0.000 0.552 2184 H N 0.053 119.190 119.070 0.111 0.000 2.575 2184 H HA 0.270 4.826 4.556 -0.000 0.000 0.267 2184 H C 0.079 175.539 175.328 0.221 0.000 0.966 2184 H CA 0.326 56.457 56.048 0.138 0.000 1.165 2184 H CB 0.882 30.708 29.762 0.107 0.000 1.433 2184 H HN 0.101 nan 8.280 nan 0.000 0.544 2185 S N 0.020 115.929 115.700 0.348 0.000 2.888 2185 S HA 0.117 4.587 4.470 -0.000 0.000 0.145 2185 S C 0.820 175.592 174.600 0.288 0.000 0.705 2185 S CA -0.519 58.012 58.200 0.551 0.000 0.891 2185 S CB -0.048 63.465 63.200 0.522 0.000 1.592 2185 S HN 0.214 nan 8.310 nan 0.000 0.514 2186 R N 1.432 122.019 120.500 0.146 0.000 2.097 2186 R HA 0.196 4.536 4.340 -0.000 0.000 0.236 2186 R C 1.473 177.545 176.300 -0.379 0.000 1.135 2186 R CA 1.520 57.538 56.100 -0.135 0.000 0.934 2186 R CB -0.274 29.939 30.300 -0.145 0.000 0.846 2186 R HN 0.849 nan 8.270 nan 0.000 0.431 2187 G N -1.305 106.905 108.800 -0.984 0.000 2.298 2187 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.309 2187 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.309 2187 G C -1.024 173.142 174.900 -1.222 0.000 1.279 2187 G CA -0.399 44.014 45.100 -1.144 0.000 1.042 2187 G HN 0.243 nan 8.290 nan 0.000 0.480 2188 N N -0.793 117.530 118.700 -0.628 0.000 2.708 2188 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 2188 N C 1.159 176.440 175.510 -0.382 0.000 1.097 2188 N CA 1.841 54.715 53.050 -0.294 0.000 0.710 2188 N CB -1.407 37.045 38.487 -0.057 0.000 1.032 2188 N HN 0.682 nan 8.380 nan 0.000 0.551 2189 W N 0.402 121.596 121.300 -0.177 0.000 2.338 2189 W HA -0.094 4.566 4.660 -0.000 0.000 0.304 2189 W C 2.492 178.887 176.519 -0.207 0.000 1.212 2189 W CA 0.701 57.972 57.345 -0.123 0.000 1.264 2189 W CB -0.593 28.831 29.460 -0.060 0.000 1.142 2189 W HN 0.304 nan 8.180 nan 0.000 0.512 2190 G N -0.294 108.263 108.800 -0.405 0.000 2.418 2190 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 2190 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 2190 G C 1.208 176.041 174.900 -0.112 0.000 1.158 2190 G CA 1.183 46.097 45.100 -0.309 0.000 0.771 2190 G HN 0.290 nan 8.290 nan 0.000 0.545 2191 H N 0.142 119.185 119.070 -0.044 0.000 2.491 2191 H HA 0.131 4.687 4.556 -0.000 0.000 0.290 2191 H C 2.603 177.917 175.328 -0.023 0.000 1.050 2191 H CA 0.552 56.574 56.048 -0.043 0.000 1.309 2191 H CB -0.015 29.740 29.762 -0.010 0.000 1.392 2191 H HN 0.286 nan 8.280 nan 0.000 0.554 2192 L N 0.238 121.543 121.223 0.138 0.000 2.240 2192 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 2192 L C 1.847 178.810 176.870 0.155 0.000 1.106 2192 L CA 0.688 55.613 54.840 0.141 0.000 0.793 2192 L CB -0.067 42.100 42.059 0.182 0.000 0.927 2192 L HN 0.086 nan 8.230 nan 0.000 0.446 2193 D N -0.084 120.425 120.400 0.183 0.000 2.117 2193 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 2193 D C 2.208 178.584 176.300 0.128 0.000 0.982 2193 D CA 0.974 55.142 54.000 0.280 0.000 0.828 2193 D CB -0.136 40.888 40.800 0.373 0.000 0.967 2193 D HN 0.364 nan 8.370 nan 0.000 0.464 2194 Q N 0.327 120.150 119.800 0.038 0.000 2.096 2194 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 2194 Q C 2.341 178.287 176.000 -0.090 0.000 0.982 2194 Q CA 0.873 56.618 55.803 -0.096 0.000 0.850 2194 Q CB 0.004 28.642 28.738 -0.166 0.000 0.901 2194 Q HN 0.142 nan 8.270 nan 0.000 0.422 2195 V N 0.578 120.488 119.914 -0.007 0.000 2.358 2195 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 2195 V C 2.171 178.286 176.094 0.034 0.000 1.047 2195 V CA 1.691 64.004 62.300 0.023 0.000 1.035 2195 V CB -0.733 31.126 31.823 0.060 0.000 0.658 2195 V HN 0.398 nan 8.190 nan 0.000 0.452 2196 A N -0.170 122.691 122.820 0.068 0.000 1.969 2196 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 2196 A C 2.381 179.983 177.584 0.030 0.000 1.169 2196 A CA 1.890 54.010 52.037 0.139 0.000 0.635 2196 A CB -0.607 18.562 19.000 0.282 0.000 0.810 2196 A HN 0.552 nan 8.150 nan 0.000 0.445 2197 A N -0.301 122.302 122.820 -0.362 0.000 1.898 2197 A HA 0.026 4.345 4.320 -0.000 0.000 0.216 2197 A C 2.106 179.587 177.584 -0.170 0.000 1.181 2197 A CA 1.305 52.893 52.037 -0.747 0.000 0.620 2197 A CB -0.522 17.828 19.000 -1.084 0.000 0.819 2197 A HN 0.452 nan 8.150 nan 0.000 0.442 2198 L N -1.137 120.031 121.223 -0.091 0.000 2.201 2198 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 2198 L C 2.711 179.628 176.870 0.078 0.000 1.105 2198 L CA 1.113 55.961 54.840 0.012 0.000 0.775 2198 L CB -0.331 41.740 42.059 0.021 0.000 0.913 2198 L HN 0.387 nan 8.230 nan 0.000 0.440 2199 R N -1.709 118.848 120.500 0.096 0.000 2.200 2199 R HA -0.143 4.197 4.340 -0.000 0.000 0.208 2199 R C 1.950 178.343 176.300 0.155 0.000 1.033 2199 R CA 0.848 57.014 56.100 0.109 0.000 1.000 2199 R CB -0.188 30.177 30.300 0.108 0.000 0.906 2199 R HN 0.388 nan 8.270 nan 0.000 0.462 2200 W N 0.648 121.973 121.300 0.042 0.000 2.436 2200 W HA -0.105 4.555 4.660 -0.000 0.000 0.284 2200 W C 1.428 177.988 176.519 0.067 0.000 1.225 2200 W CA 0.741 58.145 57.345 0.099 0.000 1.271 2200 W CB 0.163 29.710 29.460 0.145 0.000 1.114 2200 W HN -0.255 nan 8.180 nan 0.000 0.559 2201 V N 0.694 120.805 119.914 0.328 0.000 2.307 2201 V HA -0.338 3.782 4.120 -0.000 0.000 0.245 2201 V C 2.371 178.472 176.094 0.012 0.000 1.045 2201 V CA 2.382 64.805 62.300 0.204 0.000 1.024 2201 V CB -1.090 30.861 31.823 0.214 0.000 0.651 2201 V HN 0.294 nan 8.190 nan 0.000 0.449 2202 Q N -0.146 119.667 119.800 0.022 0.000 2.096 2202 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 2202 Q C 1.780 177.734 176.000 -0.077 0.000 0.982 2202 Q CA 2.184 57.984 55.803 -0.005 0.000 0.850 2202 Q CB -0.093 28.649 28.738 0.008 0.000 0.901 2202 Q HN 0.640 nan 8.270 nan 0.000 0.422 2203 D N -0.767 119.542 120.400 -0.153 0.000 2.289 2203 D HA -0.029 4.610 4.640 -0.000 0.000 0.207 2203 D C 0.902 176.998 176.300 -0.339 0.000 0.966 2203 D CA 0.628 54.493 54.000 -0.224 0.000 0.868 2203 D CB 0.118 40.781 40.800 -0.229 0.000 0.943 2203 D HN 0.371 nan 8.370 nan 0.000 0.514 2204 N N -0.125 118.273 118.700 -0.504 0.000 2.266 2204 N HA 0.005 4.745 4.740 -0.000 0.000 0.217 2204 N C 1.647 177.050 175.510 -0.179 0.000 1.211 2204 N CA -0.226 52.505 53.050 -0.532 0.000 0.881 2204 N CB 0.801 38.538 38.487 -1.251 0.000 1.153 2204 N HN -0.020 nan 8.380 nan 0.000 0.489 2205 I N 2.848 123.352 120.570 -0.109 0.000 2.300 2205 I HA -0.203 3.967 4.170 -0.000 0.000 0.252 2205 I C 2.134 178.379 176.117 0.213 0.000 1.119 2205 I CA 0.815 62.198 61.300 0.138 0.000 1.384 2205 I CB -0.359 37.714 38.000 0.122 0.000 1.062 2205 I HN 0.102 nan 8.210 nan 0.000 0.426 2206 A N -1.238 121.637 122.820 0.090 0.000 2.070 2206 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 2206 A C 2.322 179.938 177.584 0.053 0.000 1.159 2206 A CA 1.707 53.786 52.037 0.069 0.000 0.656 2206 A CB -0.771 18.237 19.000 0.014 0.000 0.800 2206 A HN 0.451 nan 8.150 nan 0.000 0.453 2207 S N -1.164 114.553 115.700 0.028 0.000 2.607 2207 S HA 0.115 4.585 4.470 -0.000 0.000 0.224 2207 S C 0.366 174.744 174.600 -0.370 0.000 0.969 2207 S CA 0.427 58.519 58.200 -0.181 0.000 0.927 2207 S CB -0.350 62.662 63.200 -0.312 0.000 0.772 2207 S HN 0.587 nan 8.310 nan 0.000 0.533 2208 F N 0.366 120.312 119.950 -0.006 0.000 2.683 2208 F HA 0.388 4.915 4.527 -0.000 0.000 0.306 2208 F C 1.512 177.365 175.800 0.089 0.000 1.102 2208 F CA -0.237 57.784 58.000 0.034 0.000 1.244 2208 F CB 0.350 39.374 39.000 0.040 0.000 1.029 2208 F HN 0.183 nan 8.300 nan 0.000 0.545 2209 G N 0.555 109.469 108.800 0.189 0.000 2.132 2209 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.234 2209 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.234 2209 G C 0.424 175.417 174.900 0.155 0.000 0.989 2209 G CA -0.211 44.980 45.100 0.152 0.000 0.676 2209 G HN 0.747 nan 8.290 nan 0.000 0.522 2210 G N -0.565 108.337 108.800 0.171 0.000 2.400 2210 G HA2 0.537 4.497 3.960 -0.000 0.000 0.333 2210 G HA3 0.537 4.497 3.960 -0.000 0.000 0.333 2210 G C -0.455 174.510 174.900 0.108 0.000 1.143 2210 G CA -0.284 44.905 45.100 0.148 0.000 0.914 2210 G HN 0.525 nan 8.290 nan 0.000 0.480 2211 N N 1.735 120.491 118.700 0.093 0.000 2.420 2211 N HA 0.332 5.072 4.740 -0.000 0.000 0.249 2211 N C -1.262 174.295 175.510 0.078 0.000 1.033 2211 N CA -2.408 50.680 53.050 0.064 0.000 0.944 2211 N CB 2.000 40.511 38.487 0.041 0.000 1.113 2211 N HN 0.101 nan 8.380 nan 0.000 0.502 2212 P HA 0.042 nan 4.420 nan 0.000 0.228 2212 P C 0.886 178.267 177.300 0.135 0.000 1.151 2212 P CA 0.677 63.833 63.100 0.094 0.000 0.770 2212 P CB 0.103 31.833 31.700 0.051 0.000 0.786 2213 G N -1.170 107.656 108.800 0.043 0.000 2.880 2213 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.209 2213 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.209 2213 G C 0.470 175.180 174.900 -0.317 0.000 1.157 2213 G CA 0.147 45.180 45.100 -0.112 0.000 0.779 2213 G HN 0.394 nan 8.290 nan 0.000 0.539 2214 S N 0.352 116.048 115.700 -0.006 0.000 2.158 2214 S HA 0.539 5.009 4.470 -0.000 0.000 0.160 2214 S C -0.982 173.760 174.600 0.237 0.000 1.693 2214 S CA -0.446 57.795 58.200 0.068 0.000 1.251 2214 S CB 0.443 63.652 63.200 0.015 0.000 1.153 2214 S HN -0.059 nan 8.310 nan 0.000 0.439 2215 V N 3.812 123.994 119.914 0.446 0.000 2.495 2215 V HA 0.594 4.714 4.120 -0.000 0.000 0.298 2215 V C -0.003 176.257 176.094 0.277 0.000 1.031 2215 V CA -0.498 61.977 62.300 0.293 0.000 0.871 2215 V CB 2.003 33.961 31.823 0.224 0.000 0.988 2215 V HN 0.731 nan 8.190 nan 0.000 0.432 2216 T N 5.935 120.646 114.554 0.261 0.000 2.807 2216 T HA 0.679 5.029 4.350 -0.000 0.000 0.279 2216 T C -0.284 174.575 174.700 0.264 0.000 0.993 2216 T CA -0.275 62.000 62.100 0.292 0.000 0.970 2216 T CB 1.386 70.458 68.868 0.340 0.000 0.950 2216 T HN 0.643 nan 8.240 nan 0.000 0.441 2217 I N 0.868 121.517 120.570 0.132 0.000 2.525 2217 I HA 0.936 5.106 4.170 -0.000 0.000 0.301 2217 I C -1.090 175.083 176.117 0.094 0.000 0.992 2217 I CA -1.297 59.961 61.300 -0.070 0.000 1.162 2217 I CB 1.465 39.236 38.000 -0.382 0.000 1.332 2217 I HN 0.675 nan 8.210 nan 0.000 0.458 2218 F N 2.177 122.110 119.950 -0.028 0.000 2.665 2218 F HA 0.951 5.478 4.527 -0.000 0.000 0.308 2218 F C -0.532 175.136 175.800 -0.220 0.000 1.112 2218 F CA -0.579 57.424 58.000 0.005 0.000 0.972 2218 F CB 1.248 40.364 39.000 0.194 0.000 1.295 2218 F HN 0.862 nan 8.300 nan 0.000 0.440 2219 G N 0.924 109.592 108.800 -0.219 0.000 2.576 2219 G HA2 0.508 4.468 3.960 -0.000 0.000 0.290 2219 G HA3 0.508 4.468 3.960 -0.000 0.000 0.290 2219 G C -2.629 172.079 174.900 -0.321 0.000 1.442 2219 G CA -0.755 43.828 45.100 -0.861 0.000 0.792 2219 G HN 0.851 nan 8.290 nan 0.000 0.491 2220 E N 0.077 120.101 120.200 -0.292 0.000 2.277 2220 E HA 0.684 5.034 4.350 -0.000 0.000 0.266 2220 E C 0.633 177.256 176.600 0.039 0.000 0.901 2220 E CA 0.382 56.782 56.400 0.000 0.000 0.782 2220 E CB 2.200 31.973 29.700 0.121 0.000 1.228 2220 E HN 1.116 nan 8.360 nan 0.000 0.424 2221 S N 2.279 118.060 115.700 0.136 0.000 4.064 2221 S HA -0.372 4.098 4.470 -0.000 0.000 0.625 2221 S C 1.425 176.119 174.600 0.156 0.000 2.010 2221 S CA 2.082 60.460 58.200 0.297 0.000 4.186 2221 S CB -1.688 61.773 63.200 0.436 0.000 0.211 2221 S HN 1.087 nan 8.310 nan 0.000 0.605 2222 A N 0.946 123.847 122.820 0.134 0.000 2.076 2222 A HA 0.152 4.472 4.320 -0.000 0.000 0.220 2222 A C 2.394 179.948 177.584 -0.049 0.000 1.160 2222 A CA 2.370 54.425 52.037 0.031 0.000 0.653 2222 A CB -1.521 17.503 19.000 0.039 0.000 0.801 2222 A HN 1.674 nan 8.150 nan 0.000 0.455 2223 G N -1.008 107.742 108.800 -0.083 0.000 2.464 2223 G HA2 0.162 4.121 3.960 -0.000 0.000 0.217 2223 G HA3 0.162 4.121 3.960 -0.000 0.000 0.217 2223 G C 1.348 176.105 174.900 -0.237 0.000 1.138 2223 G CA 1.047 45.994 45.100 -0.256 0.000 0.793 2223 G HN 0.628 nan 8.290 nan 0.000 0.539 2224 G N 0.231 108.962 108.800 -0.116 0.000 2.426 2224 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.214 2224 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.214 2224 G C 1.489 176.346 174.900 -0.071 0.000 1.156 2224 G CA 0.876 45.934 45.100 -0.070 0.000 0.802 2224 G HN 0.366 nan 8.290 nan 0.000 0.534 2225 E N 1.176 121.341 120.200 -0.059 0.000 2.160 2225 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 2225 E C 2.436 178.971 176.600 -0.108 0.000 0.991 2225 E CA 1.237 57.593 56.400 -0.074 0.000 0.810 2225 E CB -0.112 29.552 29.700 -0.061 0.000 0.742 2225 E HN 0.366 nan 8.360 nan 0.000 0.466 2226 S N -0.163 115.467 115.700 -0.116 0.000 2.377 2226 S HA -0.066 4.404 4.470 -0.000 0.000 0.223 2226 S C 2.150 176.608 174.600 -0.237 0.000 1.030 2226 S CA 0.852 58.969 58.200 -0.138 0.000 0.970 2226 S CB -0.121 62.964 63.200 -0.192 0.000 0.830 2226 S HN 0.110 nan 8.310 nan 0.000 0.473 2227 V N 1.649 121.418 119.914 -0.241 0.000 2.343 2227 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 2227 V C 2.617 178.551 176.094 -0.266 0.000 1.051 2227 V CA 1.971 64.104 62.300 -0.279 0.000 1.036 2227 V CB -0.765 30.941 31.823 -0.195 0.000 0.654 2227 V HN 0.545 nan 8.190 nan 0.000 0.451 2228 S N -0.547 115.045 115.700 -0.178 0.000 2.368 2228 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 2228 S C 1.950 176.413 174.600 -0.229 0.000 1.030 2228 S CA 1.813 59.904 58.200 -0.181 0.000 0.999 2228 S CB -0.134 63.009 63.200 -0.094 0.000 0.844 2228 S HN 0.351 nan 8.310 nan 0.000 0.459 2229 V N 2.093 121.860 119.914 -0.245 0.000 2.358 2229 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 2229 V C 2.331 178.290 176.094 -0.225 0.000 1.047 2229 V CA 1.582 63.715 62.300 -0.279 0.000 1.035 2229 V CB -0.666 30.877 31.823 -0.467 0.000 0.658 2229 V HN 0.478 nan 8.190 nan 0.000 0.452 2230 L N -0.291 120.799 121.223 -0.221 0.000 2.191 2230 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 2230 L C 2.310 179.251 176.870 0.118 0.000 1.103 2230 L CA 0.866 55.648 54.840 -0.097 0.000 0.769 2230 L CB -0.555 41.371 42.059 -0.222 0.000 0.908 2230 L HN 0.227 nan 8.230 nan 0.000 0.438 2231 V N -0.281 119.638 119.914 0.007 0.000 2.871 2231 V HA -0.167 3.953 4.120 -0.000 0.000 0.256 2231 V C 2.024 178.113 176.094 -0.009 0.000 1.082 2231 V CA 1.129 63.531 62.300 0.169 0.000 1.105 2231 V CB -0.075 31.645 31.823 -0.172 0.000 0.713 2231 V HN 0.388 nan 8.190 nan 0.000 0.473 2232 L N -0.886 120.272 121.223 -0.108 0.000 2.554 2232 L HA 0.207 4.547 4.340 -0.000 0.000 0.225 2232 L C 1.193 177.984 176.870 -0.130 0.000 1.104 2232 L CA 0.229 54.991 54.840 -0.131 0.000 0.866 2232 L CB 0.302 42.278 42.059 -0.139 0.000 1.047 2232 L HN 0.235 nan 8.230 nan 0.000 0.468 2233 S N 0.518 116.170 115.700 -0.080 0.000 2.475 2233 S HA 0.244 4.714 4.470 -0.000 0.000 0.281 2233 S C -1.386 173.242 174.600 0.048 0.000 1.198 2233 S CA -1.578 56.604 58.200 -0.029 0.000 1.063 2233 S CB 1.152 64.346 63.200 -0.011 0.000 0.972 2233 S HN -0.065 nan 8.310 nan 0.000 0.486 2234 P HA -0.088 nan 4.420 nan 0.000 0.219 2234 P C 1.272 178.656 177.300 0.141 0.000 1.146 2234 P CA 1.060 64.220 63.100 0.101 0.000 0.808 2234 P CB -0.026 31.698 31.700 0.040 0.000 0.779 2235 L N -1.166 120.116 121.223 0.098 0.000 2.275 2235 L HA -0.022 4.318 4.340 -0.000 0.000 0.215 2235 L C 2.360 179.288 176.870 0.097 0.000 1.119 2235 L CA 1.219 56.108 54.840 0.081 0.000 0.790 2235 L CB -0.869 41.228 42.059 0.062 0.000 0.919 2235 L HN -0.030 nan 8.230 nan 0.000 0.443 2236 A N -0.601 122.321 122.820 0.169 0.000 2.275 2236 A HA 0.002 4.322 4.320 -0.000 0.000 0.212 2236 A C 1.052 178.619 177.584 -0.028 0.000 1.201 2236 A CA -0.216 51.937 52.037 0.193 0.000 0.843 2236 A CB -0.162 19.066 19.000 0.380 0.000 0.873 2236 A HN 0.176 nan 8.150 nan 0.000 0.492 2237 K N 1.202 121.520 120.400 -0.136 0.000 2.484 2237 K HA -0.051 4.269 4.320 -0.000 0.000 0.280 2237 K C -0.113 176.222 176.600 -0.442 0.000 1.013 2237 K CA 0.487 56.391 56.287 -0.638 0.000 1.029 2237 K CB -0.004 32.367 32.500 -0.214 0.000 0.902 2237 K HN 0.422 nan 8.250 nan 0.000 0.481 2238 N N 1.969 120.323 118.700 -0.576 0.000 2.936 2238 N HA -0.225 4.515 4.740 -0.000 0.000 0.236 2238 N C 0.457 175.776 175.510 -0.319 0.000 0.930 2238 N CA 1.212 54.047 53.050 -0.359 0.000 0.966 2238 N CB -1.013 37.368 38.487 -0.177 0.000 1.090 2238 N HN 0.587 nan 8.380 nan 0.000 0.592 2239 L N -0.686 120.329 121.223 -0.346 0.000 2.513 2239 L HA 0.221 4.561 4.340 -0.000 0.000 0.222 2239 L C 0.521 177.327 176.870 -0.106 0.000 1.096 2239 L CA 0.386 55.154 54.840 -0.120 0.000 0.857 2239 L CB 0.012 42.104 42.059 0.056 0.000 1.026 2239 L HN 0.190 nan 8.230 nan 0.000 0.469 2240 F N -4.375 115.306 119.950 -0.448 0.000 2.686 2240 F HA 0.464 4.991 4.527 -0.000 0.000 0.311 2240 F C 0.352 175.699 175.800 -0.755 0.000 1.128 2240 F CA -0.987 56.711 58.000 -0.504 0.000 0.946 2240 F CB 0.815 39.696 39.000 -0.198 0.000 1.336 2240 F HN -0.135 nan 8.300 nan 0.000 0.457 2241 H N -0.114 119.027 119.070 0.118 0.000 3.058 2241 H HA 0.449 5.005 4.556 -0.000 0.000 0.266 2241 H C -0.442 174.954 175.328 0.114 0.000 1.135 2241 H CA -0.154 55.901 56.048 0.013 0.000 1.174 2241 H CB 0.736 30.486 29.762 -0.019 0.000 1.581 2241 H HN 0.536 nan 8.280 nan 0.000 0.553 2242 R N 0.273 120.976 120.500 0.338 0.000 2.710 2242 R HA 0.737 5.077 4.340 -0.000 0.000 0.270 2242 R C -1.385 175.147 176.300 0.387 0.000 1.021 2242 R CA -0.806 55.468 56.100 0.290 0.000 0.889 2242 R CB 2.379 32.720 30.300 0.068 0.000 1.243 2242 R HN 0.092 nan 8.270 nan 0.000 0.464 2243 A N 1.766 124.845 122.820 0.431 0.000 2.515 2243 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 2243 A C -1.172 176.621 177.584 0.347 0.000 1.059 2243 A CA -0.713 51.497 52.037 0.289 0.000 0.698 2243 A CB 1.422 20.447 19.000 0.041 0.000 1.289 2243 A HN 0.610 nan 8.150 nan 0.000 0.404 2244 I N 1.616 122.307 120.570 0.203 0.000 2.503 2244 I HA 0.237 4.407 4.170 -0.000 0.000 0.282 2244 I C -0.309 175.852 176.117 0.074 0.000 1.059 2244 I CA -0.198 61.106 61.300 0.008 0.000 1.081 2244 I CB 2.104 40.028 38.000 -0.127 0.000 1.210 2244 I HN 0.472 nan 8.210 nan 0.000 0.450 2245 S N 5.265 120.950 115.700 -0.025 0.000 2.423 2245 S HA 0.288 4.758 4.470 -0.000 0.000 0.317 2245 S C -0.163 174.428 174.600 -0.015 0.000 1.065 2245 S CA -0.559 57.634 58.200 -0.012 0.000 1.111 2245 S CB 0.514 63.693 63.200 -0.036 0.000 0.968 2245 S HN 0.464 nan 8.310 nan 0.000 0.474 2246 E N 2.049 122.308 120.200 0.098 0.000 2.014 2246 E HA 0.274 4.624 4.350 -0.000 0.000 0.275 2246 E C -0.325 176.320 176.600 0.075 0.000 0.997 2246 E CA -0.426 56.077 56.400 0.172 0.000 0.804 2246 E CB 0.643 30.546 29.700 0.338 0.000 1.090 2246 E HN 0.635 nan 8.360 nan 0.000 0.401 2247 S N 1.936 117.644 115.700 0.014 0.000 3.797 2247 S HA -0.123 4.347 4.470 -0.000 0.000 0.374 2247 S C 0.013 174.781 174.600 0.280 0.000 0.970 2247 S CA 0.462 58.688 58.200 0.043 0.000 1.177 2247 S CB -1.117 62.007 63.200 -0.126 0.000 0.891 2247 S HN 0.932 nan 8.310 nan 0.000 0.491 2248 G N -0.750 108.175 108.800 0.208 0.000 2.169 2248 G HA2 0.500 4.460 3.960 -0.000 0.000 0.286 2248 G HA3 0.500 4.460 3.960 -0.000 0.000 0.286 2248 G C -0.827 174.094 174.900 0.034 0.000 1.742 2248 G CA 0.057 45.268 45.100 0.185 0.000 0.904 2248 G HN 1.434 nan 8.290 nan 0.000 0.735 2249 V N -0.113 119.790 119.914 -0.017 0.000 3.158 2249 V HA 0.944 5.064 4.120 -0.000 0.000 0.311 2249 V C 1.414 177.455 176.094 -0.088 0.000 1.181 2249 V CA 0.071 62.340 62.300 -0.052 0.000 1.054 2249 V CB 1.152 32.937 31.823 -0.064 0.000 1.085 2249 V HN 1.972 nan 8.190 nan 0.000 0.446 2250 A N -0.128 122.631 122.820 -0.101 0.000 1.933 2250 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 2250 A C 1.808 179.316 177.584 -0.127 0.000 1.175 2250 A CA 1.995 53.958 52.037 -0.124 0.000 0.628 2250 A CB -0.870 18.047 19.000 -0.139 0.000 0.814 2250 A HN 0.883 nan 8.150 nan 0.000 0.444 2251 L N 0.083 121.233 121.223 -0.122 0.000 2.450 2251 L HA -0.079 4.260 4.340 -0.000 0.000 0.224 2251 L C 0.632 177.405 176.870 -0.163 0.000 1.149 2251 L CA 0.570 55.331 54.840 -0.130 0.000 0.816 2251 L CB -0.907 41.087 42.059 -0.109 0.000 0.932 2251 L HN 0.185 nan 8.230 nan 0.000 0.449 2252 T N 0.671 115.120 114.554 -0.175 0.000 3.333 2252 T HA -0.011 4.338 4.350 -0.000 0.000 0.240 2252 T C 1.554 176.126 174.700 -0.214 0.000 0.961 2252 T CA 0.517 62.478 62.100 -0.231 0.000 1.215 2252 T CB 0.138 68.853 68.868 -0.254 0.000 1.031 2252 T HN 0.487 nan 8.240 nan 0.000 0.709 2253 S N 2.822 118.392 115.700 -0.217 0.000 2.399 2253 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 2253 S C 2.187 176.673 174.600 -0.191 0.000 1.063 2253 S CA 1.652 59.730 58.200 -0.202 0.000 1.070 2253 S CB -0.848 62.215 63.200 -0.228 0.000 0.904 2253 S HN 0.496 nan 8.310 nan 0.000 0.456 2254 V N 1.647 121.437 119.914 -0.207 0.000 2.313 2254 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 2254 V C 2.147 178.143 176.094 -0.163 0.000 1.070 2254 V CA 2.396 64.588 62.300 -0.180 0.000 1.057 2254 V CB -0.506 31.209 31.823 -0.180 0.000 0.653 2254 V HN 0.701 nan 8.190 nan 0.000 0.450 2255 L N -0.504 120.619 121.223 -0.167 0.000 2.592 2255 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 2255 L C 0.248 177.020 176.870 -0.164 0.000 1.127 2255 L CA -0.099 54.637 54.840 -0.174 0.000 0.884 2255 L CB 0.436 42.396 42.059 -0.165 0.000 1.065 2255 L HN 0.136 nan 8.230 nan 0.000 0.457 2256 V N 1.358 121.185 119.914 -0.144 0.000 2.304 2256 V HA 0.218 4.338 4.120 -0.000 0.000 0.278 2256 V C 0.006 176.031 176.094 -0.115 0.000 1.018 2256 V CA -0.900 61.326 62.300 -0.122 0.000 0.814 2256 V CB 1.219 32.971 31.823 -0.119 0.000 1.021 2256 V HN 0.061 nan 8.190 nan 0.000 0.440 2257 K N 4.871 125.208 120.400 -0.105 0.000 2.336 2257 K HA 0.303 4.623 4.320 -0.000 0.000 0.290 2257 K C -0.061 176.490 176.600 -0.082 0.000 1.067 2257 K CA 0.082 56.315 56.287 -0.091 0.000 0.962 2257 K CB 0.559 33.007 32.500 -0.088 0.000 1.008 2257 K HN 0.552 nan 8.250 nan 0.000 0.467 2258 K N 0.976 121.329 120.400 -0.078 0.000 2.164 2258 K HA 0.570 4.890 4.320 -0.000 0.000 0.258 2258 K C 0.410 176.978 176.600 -0.054 0.000 0.951 2258 K CA -0.445 55.800 56.287 -0.069 0.000 0.844 2258 K CB 1.666 34.120 32.500 -0.076 0.000 1.099 2258 K HN 0.762 nan 8.250 nan 0.000 0.435 2259 G N 1.881 110.652 108.800 -0.048 0.000 2.500 2259 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.209 2259 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.209 2259 G C -1.364 173.512 174.900 -0.040 0.000 1.283 2259 G CA -0.734 44.344 45.100 -0.037 0.000 0.960 2259 G HN 0.653 nan 8.290 nan 0.000 0.528 2260 D N 0.331 120.712 120.400 -0.031 0.000 2.338 2260 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 2260 D C 1.749 178.025 176.300 -0.040 0.000 1.237 2260 D CA 0.595 54.575 54.000 -0.034 0.000 0.883 2260 D CB 1.182 41.969 40.800 -0.022 0.000 1.087 2260 D HN 1.263 nan 8.370 nan 0.000 0.485 2261 V N 2.306 122.185 119.914 -0.059 0.000 3.406 2261 V HA 0.077 4.197 4.120 -0.000 0.000 0.263 2261 V C 2.060 178.105 176.094 -0.083 0.000 1.172 2261 V CA 0.456 62.711 62.300 -0.076 0.000 1.140 2261 V CB -0.320 31.437 31.823 -0.109 0.000 0.784 2261 V HN 0.294 nan 8.190 nan 0.000 0.467 2262 K N 2.029 122.388 120.400 -0.067 0.000 2.107 2262 K HA -0.105 4.215 4.320 -0.000 0.000 0.211 2262 K C -0.167 176.412 176.600 -0.035 0.000 1.049 2262 K CA 2.527 58.781 56.287 -0.056 0.000 0.927 2262 K CB -1.613 30.870 32.500 -0.029 0.000 0.714 2262 K HN 0.448 nan 8.250 nan 0.000 0.452 2263 P HA -0.127 nan 4.420 nan 0.000 0.218 2263 P C 1.288 178.593 177.300 0.008 0.000 1.149 2263 P CA 0.887 63.987 63.100 -0.001 0.000 0.817 2263 P CB -0.010 31.691 31.700 0.001 0.000 0.785 2264 L N -0.399 120.822 121.223 -0.004 0.000 2.109 2264 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 2264 L C 2.202 179.089 176.870 0.028 0.000 1.086 2264 L CA 1.708 56.560 54.840 0.021 0.000 0.760 2264 L CB -1.436 40.625 42.059 0.003 0.000 0.910 2264 L HN -0.147 nan 8.230 nan 0.000 0.437 2265 A N -0.650 122.146 122.820 -0.040 0.000 1.902 2265 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 2265 A C 2.162 179.810 177.584 0.107 0.000 1.181 2265 A CA 1.763 53.779 52.037 -0.035 0.000 0.623 2265 A CB -0.599 18.267 19.000 -0.223 0.000 0.818 2265 A HN 0.590 nan 8.150 nan 0.000 0.443 2266 E N -0.563 119.670 120.200 0.055 0.000 2.150 2266 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 2266 E C 2.246 178.882 176.600 0.061 0.000 0.985 2266 E CA 1.038 57.474 56.400 0.060 0.000 0.814 2266 E CB -0.093 29.628 29.700 0.034 0.000 0.752 2266 E HN 0.548 nan 8.360 nan 0.000 0.466 2267 Q N 0.413 120.250 119.800 0.061 0.000 2.049 2267 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 2267 Q C 2.356 178.397 176.000 0.068 0.000 0.971 2267 Q CA 0.971 56.807 55.803 0.055 0.000 0.833 2267 Q CB -0.218 28.552 28.738 0.054 0.000 0.896 2267 Q HN 0.395 nan 8.270 nan 0.000 0.434 2268 I N 0.892 121.531 120.570 0.115 0.000 2.208 2268 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 2268 I C 2.362 178.523 176.117 0.074 0.000 1.097 2268 I CA 1.186 62.565 61.300 0.131 0.000 1.363 2268 I CB -0.483 37.663 38.000 0.244 0.000 1.051 2268 I HN 0.071 nan 8.210 nan 0.000 0.413 2269 A N 1.052 123.925 122.820 0.088 0.000 1.902 2269 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 2269 A C 2.307 179.898 177.584 0.012 0.000 1.181 2269 A CA 1.464 53.520 52.037 0.032 0.000 0.623 2269 A CB -0.735 18.301 19.000 0.060 0.000 0.818 2269 A HN 0.373 nan 8.150 nan 0.000 0.443 2270 I N -0.512 120.072 120.570 0.024 0.000 2.142 2270 I HA -0.215 3.954 4.170 -0.000 0.000 0.240 2270 I C 2.495 178.613 176.117 0.002 0.000 1.078 2270 I CA 1.779 63.086 61.300 0.012 0.000 1.343 2270 I CB -0.809 37.200 38.000 0.015 0.000 1.046 2270 I HN 0.235 nan 8.210 nan 0.000 0.405 2271 T N 0.786 115.342 114.554 0.003 0.000 2.822 2271 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 2271 T C 1.665 176.357 174.700 -0.014 0.000 1.064 2271 T CA 1.434 63.528 62.100 -0.009 0.000 1.131 2271 T CB -0.222 68.638 68.868 -0.013 0.000 0.858 2271 T HN 0.501 nan 8.240 nan 0.000 0.483 2272 A N 0.153 122.964 122.820 -0.016 0.000 2.275 2272 A HA 0.564 4.883 4.320 -0.000 0.000 0.212 2272 A C 1.625 179.193 177.584 -0.025 0.000 1.201 2272 A CA 0.530 52.550 52.037 -0.028 0.000 0.843 2272 A CB -0.314 18.655 19.000 -0.052 0.000 0.873 2272 A HN 0.726 nan 8.150 nan 0.000 0.492 2273 G N -1.302 107.488 108.800 -0.017 0.000 2.248 2273 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.252 2273 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.252 2273 G C -0.091 174.800 174.900 -0.015 0.000 1.085 2273 G CA -0.027 45.065 45.100 -0.014 0.000 0.845 2273 G HN 0.609 nan 8.290 nan 0.000 0.494 2274 c N -0.383 118.210 118.600 -0.013 0.000 2.719 2274 c HA 0.768 5.338 4.570 -0.000 0.000 0.327 2274 c C 0.734 174.826 174.090 0.003 0.000 1.238 2274 c CA -0.986 55.337 56.329 -0.010 0.000 1.727 2274 c CB 1.819 44.315 42.510 -0.023 0.000 2.256 2274 c HN 0.586 nan 8.230 nan 0.000 0.489 2275 K N 0.485 120.890 120.400 0.009 0.000 2.098 2275 K HA 0.462 4.782 4.320 -0.000 0.000 0.257 2275 K C 0.418 177.030 176.600 0.018 0.000 0.999 2275 K CA 0.055 56.350 56.287 0.013 0.000 0.924 2275 K CB 0.676 33.184 32.500 0.013 0.000 1.028 2275 K HN 0.839 nan 8.250 nan 0.000 0.466 2276 T N -2.450 112.116 114.554 0.019 0.000 3.355 2276 T HA 0.074 4.424 4.350 -0.000 0.000 0.276 2276 T C 0.861 175.572 174.700 0.020 0.000 1.003 2276 T CA -0.514 61.601 62.100 0.026 0.000 0.943 2276 T CB -0.017 68.869 68.868 0.029 0.000 1.158 2276 T HN 0.423 nan 8.240 nan 0.000 0.513 2277 T N 2.589 117.151 114.554 0.013 0.000 2.699 2277 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 2277 T C 1.179 175.883 174.700 0.006 0.000 1.036 2277 T CA 1.848 63.952 62.100 0.007 0.000 1.147 2277 T CB -0.327 68.542 68.868 0.002 0.000 0.862 2277 T HN 0.873 nan 8.240 nan 0.000 0.446 2278 T N -2.754 111.802 114.554 0.003 0.000 2.769 2278 T HA 0.473 4.823 4.350 -0.000 0.000 0.306 2278 T C 0.860 175.563 174.700 0.004 0.000 1.400 2278 T CA -0.398 61.702 62.100 -0.000 0.000 1.007 2278 T CB 1.528 70.379 68.868 -0.028 0.000 1.392 2278 T HN -0.193 nan 8.240 nan 0.000 0.500 2279 S N 0.503 116.214 115.700 0.018 0.000 2.343 2279 S HA -0.012 4.458 4.470 -0.000 0.000 0.219 2279 S C 2.577 177.163 174.600 -0.022 0.000 1.033 2279 S CA 1.485 59.719 58.200 0.056 0.000 1.014 2279 S CB -1.123 62.184 63.200 0.179 0.000 0.915 2279 S HN 1.017 nan 8.310 nan 0.000 0.435 2280 A N 1.156 123.806 122.820 -0.284 0.000 1.927 2280 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 2280 A C 2.335 179.860 177.584 -0.099 0.000 1.185 2280 A CA 1.937 53.758 52.037 -0.361 0.000 0.639 2280 A CB -1.090 17.536 19.000 -0.622 0.000 0.820 2280 A HN 0.357 nan 8.150 nan 0.000 0.451 2281 V N -0.334 119.540 119.914 -0.068 0.000 2.427 2281 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 2281 V C 2.615 178.738 176.094 0.047 0.000 1.051 2281 V CA 2.140 64.442 62.300 0.003 0.000 1.048 2281 V CB -0.650 31.169 31.823 -0.007 0.000 0.666 2281 V HN 0.587 nan 8.190 nan 0.000 0.456 2282 M N -0.595 119.029 119.600 0.041 0.000 2.117 2282 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 2282 M C 2.153 178.449 176.300 -0.006 0.000 1.065 2282 M CA 1.592 56.921 55.300 0.047 0.000 1.114 2282 M CB -0.439 32.234 32.600 0.122 0.000 1.361 2282 M HN 0.269 nan 8.290 nan 0.000 0.408 2283 V N -0.934 119.000 119.914 0.034 0.000 2.453 2283 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 2283 V C 2.181 178.295 176.094 0.032 0.000 1.048 2283 V CA 2.105 64.394 62.300 -0.018 0.000 1.049 2283 V CB -1.100 30.787 31.823 0.106 0.000 0.672 2283 V HN 0.476 nan 8.190 nan 0.000 0.457 2284 H N -0.324 118.735 119.070 -0.017 0.000 2.326 2284 H HA -0.197 4.359 4.556 -0.000 0.000 0.301 2284 H C 2.376 177.694 175.328 -0.017 0.000 1.081 2284 H CA 2.301 58.344 56.048 -0.009 0.000 1.334 2284 H CB -0.659 29.092 29.762 -0.019 0.000 1.385 2284 H HN 0.408 nan 8.280 nan 0.000 0.504 2285 c N 0.231 118.805 118.600 -0.044 0.000 2.413 2285 c HA -0.116 4.454 4.570 -0.000 0.000 0.276 2285 c C 2.778 176.787 174.090 -0.135 0.000 1.236 2285 c CA 1.189 57.455 56.329 -0.104 0.000 1.735 2285 c CB -1.467 41.025 42.510 -0.029 0.000 2.031 2285 c HN 0.677 nan 8.230 nan 0.000 0.474 2286 L N 0.141 121.284 121.223 -0.134 0.000 2.201 2286 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 2286 L C 2.927 179.796 176.870 -0.002 0.000 1.105 2286 L CA 1.248 56.011 54.840 -0.128 0.000 0.775 2286 L CB -0.704 41.139 42.059 -0.359 0.000 0.913 2286 L HN 0.393 nan 8.230 nan 0.000 0.440 2287 R N -0.222 120.273 120.500 -0.007 0.000 2.235 2287 R HA -0.119 4.221 4.340 -0.000 0.000 0.213 2287 R C 1.946 178.179 176.300 -0.111 0.000 1.059 2287 R CA 0.789 56.869 56.100 -0.033 0.000 0.997 2287 R CB -0.053 30.225 30.300 -0.037 0.000 0.884 2287 R HN 0.546 nan 8.270 nan 0.000 0.462 2288 Q N 0.062 119.769 119.800 -0.155 0.000 2.398 2288 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 2288 Q C 0.055 176.006 176.000 -0.081 0.000 0.932 2288 Q CA 0.342 56.063 55.803 -0.137 0.000 0.916 2288 Q CB 0.409 29.039 28.738 -0.180 0.000 1.024 2288 Q HN -0.013 nan 8.270 nan 0.000 0.504 2289 K N 2.145 122.503 120.400 -0.070 0.000 2.414 2289 K HA 0.038 4.357 4.320 -0.000 0.000 0.272 2289 K C 0.419 177.012 176.600 -0.012 0.000 0.993 2289 K CA 0.236 56.498 56.287 -0.041 0.000 0.964 2289 K CB 0.462 32.933 32.500 -0.049 0.000 0.925 2289 K HN 0.151 nan 8.250 nan 0.000 0.487 2290 T N -2.318 112.242 114.554 0.010 0.000 2.882 2290 T HA 0.069 4.419 4.350 -0.000 0.000 0.287 2290 T C 1.315 176.077 174.700 0.102 0.000 1.014 2290 T CA -0.597 61.525 62.100 0.037 0.000 1.049 2290 T CB 1.209 70.093 68.868 0.026 0.000 1.001 2290 T HN 0.619 nan 8.240 nan 0.000 0.525 2291 E N 0.600 120.884 120.200 0.141 0.000 2.097 2291 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 2291 E C 1.687 178.447 176.600 0.266 0.000 1.000 2291 E CA 1.757 58.322 56.400 0.275 0.000 0.804 2291 E CB -0.087 29.681 29.700 0.114 0.000 0.740 2291 E HN 0.825 nan 8.360 nan 0.000 0.454 2292 E N 0.593 120.873 120.200 0.133 0.000 2.110 2292 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 2292 E C 1.928 178.594 176.600 0.110 0.000 0.988 2292 E CA 1.493 57.956 56.400 0.105 0.000 0.804 2292 E CB -0.042 29.690 29.700 0.053 0.000 0.745 2292 E HN 0.387 nan 8.360 nan 0.000 0.458 2293 E N 0.250 120.503 120.200 0.088 0.000 2.047 2293 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 2293 E C 2.019 178.653 176.600 0.056 0.000 0.987 2293 E CA 0.710 57.142 56.400 0.054 0.000 0.799 2293 E CB -0.128 29.585 29.700 0.022 0.000 0.752 2293 E HN 0.224 nan 8.360 nan 0.000 0.449 2294 L N 0.799 122.064 121.223 0.070 0.000 2.353 2294 L HA -0.149 4.191 4.340 -0.000 0.000 0.220 2294 L C 2.359 179.269 176.870 0.066 0.000 1.133 2294 L CA 0.172 54.981 54.840 -0.050 0.000 0.798 2294 L CB -0.139 41.762 42.059 -0.264 0.000 0.922 2294 L HN 0.180 nan 8.230 nan 0.000 0.445 2295 L N -0.345 121.056 121.223 0.297 0.000 2.209 2295 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 2295 L C 2.301 179.276 176.870 0.174 0.000 1.094 2295 L CA 1.489 56.543 54.840 0.357 0.000 0.790 2295 L CB -0.320 41.924 42.059 0.309 0.000 0.932 2295 L HN 0.192 nan 8.230 nan 0.000 0.447 2296 E N -1.382 118.883 120.200 0.107 0.000 2.208 2296 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 2296 E C 1.580 178.199 176.600 0.030 0.000 0.988 2296 E CA 1.275 57.709 56.400 0.056 0.000 0.828 2296 E CB 0.115 29.837 29.700 0.037 0.000 0.763 2296 E HN 0.529 nan 8.360 nan 0.000 0.478 2297 T N -0.161 114.409 114.554 0.026 0.000 2.812 2297 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 2297 T C 1.835 176.537 174.700 0.005 0.000 1.042 2297 T CA 1.519 63.618 62.100 -0.003 0.000 1.140 2297 T CB -0.350 68.504 68.868 -0.023 0.000 0.870 2297 T HN 0.178 nan 8.240 nan 0.000 0.445 2298 T N 2.471 117.067 114.554 0.071 0.000 2.708 2298 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 2298 T C 1.869 176.600 174.700 0.052 0.000 1.037 2298 T CA 0.788 62.984 62.100 0.159 0.000 1.146 2298 T CB -0.411 68.630 68.868 0.289 0.000 0.865 2298 T HN 0.049 nan 8.240 nan 0.000 0.435 2299 L N 1.036 122.291 121.223 0.052 0.000 2.046 2299 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 2299 L C 2.364 179.198 176.870 -0.059 0.000 1.077 2299 L CA 1.677 56.524 54.840 0.012 0.000 0.747 2299 L CB -0.608 41.470 42.059 0.031 0.000 0.896 2299 L HN 0.187 nan 8.230 nan 0.000 0.432 2300 K N -1.500 118.859 120.400 -0.068 0.000 2.097 2300 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 2300 K C 1.966 178.455 176.600 -0.185 0.000 1.049 2300 K CA 1.135 57.364 56.287 -0.096 0.000 0.933 2300 K CB -0.215 32.243 32.500 -0.070 0.000 0.717 2300 K HN 0.180 nan 8.250 nan 0.000 0.442 2301 M N 0.997 120.412 119.600 -0.310 0.000 2.267 2301 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 2301 M C 0.372 176.274 176.300 -0.663 0.000 1.063 2301 M CA 1.256 56.174 55.300 -0.638 0.000 1.090 2301 M CB -0.774 31.060 32.600 -1.276 0.000 1.392 2301 M HN 0.111 nan 8.290 nan 0.000 0.422 2302 K N 0.258 120.411 120.400 -0.411 0.000 3.148 2302 K HA -0.197 4.123 4.320 -0.000 0.000 0.267 2302 K C -0.347 176.159 176.600 -0.158 0.000 0.996 2302 K CA 0.061 56.221 56.287 -0.211 0.000 0.737 2302 K CB -1.875 30.544 32.500 -0.135 0.000 1.308 2302 K HN 0.213 nan 8.250 nan 0.000 0.470 2303 F N 0.422 120.392 119.950 0.032 0.000 2.456 2303 F HA -0.002 4.525 4.527 -0.000 0.000 0.306 2303 F C 2.073 177.888 175.800 0.025 0.000 1.278 2303 F CA 0.094 58.111 58.000 0.029 0.000 1.264 2303 F CB 0.121 39.147 39.000 0.043 0.000 1.253 2303 F HN 0.253 nan 8.300 nan 0.000 0.554 2304 L N -1.809 119.562 121.223 0.246 0.000 4.739 2304 L HA -0.265 4.075 4.340 -0.000 0.000 0.437 2304 L C -0.280 176.643 176.870 0.088 0.000 1.117 2304 L CA 1.346 56.264 54.840 0.131 0.000 0.970 2304 L CB -2.481 39.648 42.059 0.117 0.000 1.965 2304 L HN 0.382 nan 8.230 nan 0.000 0.872 2305 S N -0.389 115.362 115.700 0.084 0.000 2.659 2305 S HA 0.743 5.213 4.470 -0.000 0.000 0.312 2305 S C -0.233 174.392 174.600 0.042 0.000 1.114 2305 S CA -0.690 57.539 58.200 0.049 0.000 1.063 2305 S CB 1.116 64.330 63.200 0.024 0.000 0.996 2305 S HN 0.503 nan 8.310 nan 0.000 0.478 2320 G N -0.570 108.107 108.800 -0.204 0.000 2.550 2320 G HA2 0.512 4.471 3.960 -0.000 0.000 0.293 2320 G HA3 0.512 4.471 3.960 -0.000 0.000 0.293 2320 G C -1.165 173.645 174.900 -0.150 0.000 1.402 2320 G CA -0.536 44.347 45.100 -0.362 0.000 0.784 2320 G HN 0.407 nan 8.290 nan 0.000 0.482 2321 T N 0.314 114.793 114.554 -0.125 0.000 2.903 2321 T HA 0.358 4.708 4.350 -0.000 0.000 0.299 2321 T C 0.672 175.369 174.700 -0.006 0.000 1.041 2321 T CA 1.006 63.160 62.100 0.090 0.000 1.138 2321 T CB 0.272 69.196 68.868 0.094 0.000 1.040 2321 T HN 1.553 nan 8.240 nan 0.000 0.524 2322 V N 0.577 120.488 119.914 -0.005 0.000 3.130 2322 V HA 0.593 4.713 4.120 -0.000 0.000 0.310 2322 V C -0.445 175.607 176.094 -0.070 0.000 1.158 2322 V CA -1.399 60.865 62.300 -0.060 0.000 1.029 2322 V CB 1.968 33.740 31.823 -0.085 0.000 1.057 2322 V HN 0.593 nan 8.190 nan 0.000 0.436 2323 I N 3.639 124.164 120.570 -0.076 0.000 2.243 2323 I HA 0.213 4.383 4.170 -0.000 0.000 0.297 2323 I C 1.016 177.087 176.117 -0.077 0.000 1.161 2323 I CA 0.114 61.370 61.300 -0.073 0.000 1.298 2323 I CB -0.332 37.630 38.000 -0.065 0.000 1.475 2323 I HN 0.982 nan 8.210 nan 0.000 0.561 2324 D N 3.656 124.003 120.400 -0.088 0.000 2.234 2324 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 2324 D C 1.493 177.750 176.300 -0.071 0.000 0.962 2324 D CA 1.233 55.174 54.000 -0.099 0.000 0.855 2324 D CB 0.287 41.003 40.800 -0.141 0.000 0.951 2324 D HN 0.649 nan 8.370 nan 0.000 0.500 2325 G N -0.481 108.285 108.800 -0.057 0.000 2.213 2325 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 2325 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 2325 G C 0.990 175.873 174.900 -0.029 0.000 0.992 2325 G CA 0.511 45.587 45.100 -0.040 0.000 0.632 2325 G HN 0.266 nan 8.290 nan 0.000 0.511 2326 M N -1.142 118.439 119.600 -0.032 0.000 3.101 2326 M HA 0.438 4.918 4.480 -0.000 0.000 0.236 2326 M C 2.278 178.569 176.300 -0.015 0.000 1.538 2326 M CA 0.912 56.205 55.300 -0.013 0.000 1.309 2326 M CB -1.028 31.572 32.600 -0.001 0.000 1.141 2326 M HN 0.190 nan 8.290 nan 0.000 0.579 2327 L N 0.823 122.028 121.223 -0.030 0.000 2.044 2327 L HA 0.152 4.492 4.340 -0.000 0.000 0.205 2327 L C 0.423 177.260 176.870 -0.054 0.000 1.075 2327 L CA 1.382 56.202 54.840 -0.034 0.000 0.747 2327 L CB 0.219 42.252 42.059 -0.044 0.000 0.903 2327 L HN 0.119 nan 8.230 nan 0.000 0.435 2328 L N -0.165 121.019 121.223 -0.065 0.000 2.349 2328 L HA 0.247 4.587 4.340 -0.000 0.000 0.278 2328 L C 0.314 177.150 176.870 -0.055 0.000 0.996 2328 L CA -0.391 54.407 54.840 -0.070 0.000 0.825 2328 L CB 1.944 43.950 42.059 -0.089 0.000 1.243 2328 L HN 0.094 nan 8.230 nan 0.000 0.412 2329 L N 1.690 122.886 121.223 -0.045 0.000 2.354 2329 L HA 0.217 4.557 4.340 -0.000 0.000 0.212 2329 L C 0.605 177.452 176.870 -0.037 0.000 1.091 2329 L CA 0.748 55.566 54.840 -0.037 0.000 0.828 2329 L CB -0.088 41.954 42.059 -0.029 0.000 0.973 2329 L HN 0.581 nan 8.230 nan 0.000 0.461 2330 K N -0.687 119.689 120.400 -0.040 0.000 2.499 2330 K HA 0.329 4.649 4.320 -0.000 0.000 0.277 2330 K C -0.483 176.089 176.600 -0.045 0.000 1.025 2330 K CA -0.651 55.613 56.287 -0.037 0.000 0.900 2330 K CB 1.821 34.304 32.500 -0.027 0.000 1.494 2330 K HN -0.135 nan 8.250 nan 0.000 0.442 2331 T N -1.340 113.187 114.554 -0.045 0.000 2.900 2331 T HA 0.095 4.445 4.350 -0.000 0.000 0.307 2331 T C -1.861 172.807 174.700 -0.053 0.000 1.065 2331 T CA -1.109 60.958 62.100 -0.056 0.000 1.105 2331 T CB 0.458 69.291 68.868 -0.058 0.000 0.979 2331 T HN 0.178 nan 8.240 nan 0.000 0.544 2332 P HA -0.115 nan 4.420 nan 0.000 0.217 2332 P C 1.407 178.677 177.300 -0.049 0.000 1.148 2332 P CA 1.100 64.156 63.100 -0.074 0.000 0.828 2332 P CB 0.154 31.794 31.700 -0.100 0.000 0.783 2333 E N 0.533 120.705 120.200 -0.047 0.000 2.006 2333 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 2333 E C 1.958 178.556 176.600 -0.003 0.000 0.993 2333 E CA 1.483 57.866 56.400 -0.028 0.000 0.808 2333 E CB -0.774 28.901 29.700 -0.042 0.000 0.764 2333 E HN 0.193 nan 8.360 nan 0.000 0.449 2334 E N 0.154 120.347 120.200 -0.011 0.000 2.114 2334 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 2334 E C 2.246 178.859 176.600 0.022 0.000 1.008 2334 E CA 1.382 57.782 56.400 0.000 0.000 0.810 2334 E CB -0.284 29.409 29.700 -0.012 0.000 0.739 2334 E HN 0.305 nan 8.360 nan 0.000 0.456 2335 L N 0.691 121.930 121.223 0.026 0.000 2.191 2335 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 2335 L C 1.522 178.499 176.870 0.177 0.000 1.103 2335 L CA 0.845 55.728 54.840 0.071 0.000 0.769 2335 L CB -0.192 41.895 42.059 0.046 0.000 0.908 2335 L HN 0.175 nan 8.230 nan 0.000 0.438 2342 H N 0.607 119.846 119.070 0.281 0.000 3.248 2342 H HA 0.180 4.736 4.556 -0.000 0.000 0.258 2342 H C 0.407 175.897 175.328 0.270 0.000 0.923 2342 H CA 0.690 56.828 56.048 0.151 0.000 1.416 2342 H CB 0.545 30.323 29.762 0.026 0.000 1.523 2342 H HN 0.764 nan 8.280 nan 0.000 0.528 2343 T N 5.231 119.922 114.554 0.228 0.000 3.781 2343 T HA 0.249 4.599 4.350 -0.000 0.000 0.286 2343 T C 0.084 174.901 174.700 0.196 0.000 1.277 2343 T CA -0.782 61.411 62.100 0.155 0.000 1.136 2343 T CB -1.257 67.605 68.868 -0.010 0.000 1.202 2343 T HN 0.452 nan 8.240 nan 0.000 0.884 2344 V N 2.919 123.036 119.914 0.338 0.000 2.994 2344 V HA 0.759 4.879 4.120 -0.000 0.000 0.318 2344 V C -2.778 173.563 176.094 0.412 0.000 1.085 2344 V CA -3.268 59.199 62.300 0.278 0.000 0.998 2344 V CB 1.383 33.338 31.823 0.220 0.000 1.063 2344 V HN 0.283 nan 8.190 nan 0.000 0.447 2345 P HA 0.158 nan 4.420 nan 0.000 0.266 2345 P C -1.634 175.991 177.300 0.541 0.000 1.195 2345 P CA 0.669 64.008 63.100 0.399 0.000 0.768 2345 P CB -0.033 31.746 31.700 0.132 0.000 0.838 2346 Y N 3.420 123.914 120.300 0.323 0.000 2.386 2346 Y HA 0.412 4.962 4.550 -0.000 0.000 0.334 2346 Y C -0.697 175.198 175.900 -0.008 0.000 1.002 2346 Y CA -1.213 56.901 58.100 0.023 0.000 1.068 2346 Y CB 1.252 39.398 38.460 -0.523 0.000 1.203 2346 Y HN 0.271 nan 8.280 nan 0.000 0.443 2347 M N 6.049 125.465 119.600 -0.306 0.000 2.185 2347 M HA 0.456 4.936 4.480 -0.000 0.000 0.357 2347 M C -1.129 174.821 176.300 -0.583 0.000 1.260 2347 M CA -0.555 54.438 55.300 -0.511 0.000 1.124 2347 M CB 0.822 32.964 32.600 -0.763 0.000 1.600 2347 M HN 0.390 nan 8.290 nan 0.000 0.467 2348 V N 2.722 122.348 119.914 -0.479 0.000 2.525 2348 V HA 0.813 4.933 4.120 -0.000 0.000 0.299 2348 V C 0.113 175.897 176.094 -0.516 0.000 1.034 2348 V CA -0.699 61.282 62.300 -0.532 0.000 0.863 2348 V CB 1.739 33.204 31.823 -0.597 0.000 0.999 2348 V HN 1.037 nan 8.190 nan 0.000 0.423 2349 G N 3.764 112.135 108.800 -0.716 0.000 2.672 2349 G HA2 0.905 4.865 3.960 -0.000 0.000 0.292 2349 G HA3 0.905 4.865 3.960 -0.000 0.000 0.292 2349 G C -1.191 173.283 174.900 -0.711 0.000 1.375 2349 G CA -0.659 43.656 45.100 -1.308 0.000 0.890 2349 G HN 0.945 nan 8.290 nan 0.000 0.476 2350 I N -2.269 118.003 120.570 -0.497 0.000 3.322 2350 I HA 0.693 4.863 4.170 -0.000 0.000 0.313 2350 I C -1.295 174.824 176.117 0.003 0.000 1.129 2350 I CA -1.427 59.771 61.300 -0.170 0.000 0.963 2350 I CB 2.534 40.479 38.000 -0.092 0.000 1.273 2350 I HN 0.238 nan 8.210 nan 0.000 0.473 2351 N N 1.696 120.421 118.700 0.042 0.000 2.370 2351 N HA 0.279 5.019 4.740 -0.000 0.000 0.303 2351 N C 0.214 175.802 175.510 0.130 0.000 1.103 2351 N CA -0.723 52.430 53.050 0.171 0.000 0.848 2351 N CB 2.378 40.966 38.487 0.169 0.000 1.235 2351 N HN 0.727 nan 8.380 nan 0.000 0.496 2352 K N 1.115 121.614 120.400 0.166 0.000 2.032 2352 K HA -0.208 4.112 4.320 -0.000 0.000 0.218 2352 K C -0.202 176.467 176.600 0.115 0.000 1.054 2352 K CA 1.727 58.089 56.287 0.124 0.000 0.941 2352 K CB 0.091 32.659 32.500 0.114 0.000 0.720 2352 K HN 0.542 nan 8.250 nan 0.000 0.449 2353 Q N 0.475 120.352 119.800 0.128 0.000 2.571 2353 Q HA 0.088 4.428 4.340 -0.000 0.000 0.243 2353 Q C -0.181 175.898 176.000 0.132 0.000 1.055 2353 Q CA -0.450 55.433 55.803 0.133 0.000 0.815 2353 Q CB 1.800 30.620 28.738 0.137 0.000 1.151 2353 Q HN 0.208 nan 8.270 nan 0.000 0.519 2354 E N 0.590 120.848 120.200 0.097 0.000 2.150 2354 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 2354 E C 0.357 177.005 176.600 0.081 0.000 0.985 2354 E CA 1.119 57.524 56.400 0.008 0.000 0.814 2354 E CB 0.211 29.789 29.700 -0.202 0.000 0.752 2354 E HN 0.478 nan 8.360 nan 0.000 0.466 2355 F N 0.233 120.200 119.950 0.027 0.000 2.684 2355 F HA 0.268 4.795 4.527 -0.000 0.000 0.298 2355 F C 1.745 177.564 175.800 0.033 0.000 1.120 2355 F CA -0.218 57.784 58.000 0.002 0.000 1.332 2355 F CB 0.483 39.451 39.000 -0.053 0.000 0.986 2355 F HN -0.061 nan 8.300 nan 0.000 0.524 2356 G N -0.379 108.532 108.800 0.185 0.000 2.422 2356 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 2356 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 2356 G C 1.165 176.242 174.900 0.294 0.000 1.146 2356 G CA 1.409 46.639 45.100 0.217 0.000 0.769 2356 G HN 0.579 nan 8.290 nan 0.000 0.547 2357 W N -1.783 119.518 121.300 0.003 0.000 5.075 2357 W HA 0.224 4.884 4.660 -0.000 0.000 0.157 2357 W C 1.658 178.163 176.519 -0.023 0.000 1.039 2357 W CA 0.172 57.521 57.345 0.006 0.000 1.759 2357 W CB -0.664 28.819 29.460 0.038 0.000 0.514 2357 W HN 0.005 nan 8.180 nan 0.000 1.081 2358 L N 2.048 123.254 121.223 -0.028 0.000 1.978 2358 L HA -0.154 4.186 4.340 -0.000 0.000 0.218 2358 L C 2.007 178.689 176.870 -0.313 0.000 1.075 2358 L CA 2.855 57.565 54.840 -0.217 0.000 0.767 2358 L CB -1.150 40.985 42.059 0.127 0.000 0.890 2358 L HN 0.201 nan 8.230 nan 0.000 0.434 2359 I N -0.619 119.759 120.570 -0.319 0.000 2.162 2359 I HA -0.147 4.023 4.170 -0.000 0.000 0.238 2359 I C -0.284 175.617 176.117 -0.360 0.000 1.076 2359 I CA 1.013 62.084 61.300 -0.380 0.000 1.353 2359 I CB -1.807 35.850 38.000 -0.571 0.000 1.063 2359 I HN 0.206 nan 8.210 nan 0.000 0.408 2360 P HA -0.203 nan 4.420 nan 0.000 0.216 2360 P C 1.119 178.366 177.300 -0.088 0.000 1.154 2360 P CA 1.490 64.461 63.100 -0.216 0.000 0.865 2360 P CB -0.051 31.537 31.700 -0.187 0.000 0.789 2364 M N 0.638 120.230 119.600 -0.014 0.000 2.632 2364 M HA 0.013 4.493 4.480 -0.000 0.000 0.256 2364 M C 0.365 176.705 176.300 0.067 0.000 1.080 2364 M CA 0.742 56.077 55.300 0.057 0.000 1.084 2364 M CB -0.131 32.551 32.600 0.137 0.000 1.439 2364 M HN 0.343 nan 8.290 nan 0.000 0.509 2365 S N -0.414 115.313 115.700 0.046 0.000 3.858 2365 S HA -0.180 4.290 4.470 -0.000 0.000 0.356 2365 S C -0.273 174.374 174.600 0.079 0.000 1.013 2365 S CA 0.066 58.291 58.200 0.041 0.000 1.083 2365 S CB -2.205 61.004 63.200 0.014 0.000 0.883 2365 S HN 0.539 nan 8.310 nan 0.000 0.475 2366 Y N 2.121 122.430 120.300 0.015 0.000 2.610 2366 Y HA 0.279 4.829 4.550 -0.000 0.000 0.332 2366 Y C -1.795 174.138 175.900 0.054 0.000 1.201 2366 Y CA -0.913 57.222 58.100 0.059 0.000 1.465 2366 Y CB 0.430 38.956 38.460 0.110 0.000 1.283 2366 Y HN 0.082 nan 8.280 nan 0.000 0.563 2367 P HA 0.249 nan 4.420 nan 0.000 0.252 2367 P C -1.012 176.329 177.300 0.068 0.000 1.727 2367 P CA 0.495 63.557 63.100 -0.063 0.000 1.134 2367 P CB -0.047 31.555 31.700 -0.164 0.000 1.876 2379 M N 1.246 120.903 119.600 0.095 0.000 2.149 2379 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 2379 M C 2.160 178.565 176.300 0.176 0.000 1.064 2379 M CA 1.996 57.392 55.300 0.159 0.000 1.102 2379 M CB -0.428 32.238 32.600 0.109 0.000 1.369 2379 M HN 0.525 nan 8.290 nan 0.000 0.408 2380 S N 1.076 116.835 115.700 0.098 0.000 2.344 2380 S HA -0.116 4.353 4.470 -0.000 0.000 0.217 2380 S C 1.879 176.569 174.600 0.150 0.000 1.033 2380 S CA 1.213 59.482 58.200 0.115 0.000 1.017 2380 S CB -0.534 62.691 63.200 0.041 0.000 0.941 2380 S HN 0.401 nan 8.310 nan 0.000 0.430 2381 L N 0.737 121.980 121.223 0.033 0.000 2.012 2381 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 2381 L C 2.477 179.485 176.870 0.231 0.000 1.073 2381 L CA 0.957 55.810 54.840 0.022 0.000 0.748 2381 L CB -0.541 41.404 42.059 -0.190 0.000 0.891 2381 L HN 0.265 nan 8.230 nan 0.000 0.431 2382 L N -0.157 121.288 121.223 0.370 0.000 1.997 2382 L HA -0.337 4.003 4.340 -0.000 0.000 0.216 2382 L C 2.273 179.370 176.870 0.378 0.000 1.074 2382 L CA 2.139 57.285 54.840 0.510 0.000 0.763 2382 L CB -0.993 41.378 42.059 0.520 0.000 0.890 2382 L HN 0.423 nan 8.230 nan 0.000 0.434 2383 W N 0.378 121.799 121.300 0.202 0.000 2.335 2383 W HA -0.252 4.408 4.660 -0.000 0.000 0.311 2383 W C 2.124 178.752 176.519 0.181 0.000 1.213 2383 W CA 1.541 58.998 57.345 0.188 0.000 1.274 2383 W CB -0.094 29.435 29.460 0.115 0.000 1.148 2383 W HN 0.121 nan 8.180 nan 0.000 0.498 2384 K N 0.602 121.027 120.400 0.041 0.000 2.360 2384 K HA -0.074 4.246 4.320 -0.000 0.000 0.201 2384 K C 1.658 178.219 176.600 -0.065 0.000 1.046 2384 K CA 1.141 57.382 56.287 -0.077 0.000 0.945 2384 K CB -0.454 32.041 32.500 -0.008 0.000 0.750 2384 K HN 0.058 nan 8.250 nan 0.000 0.464 2385 S N 0.370 116.092 115.700 0.036 0.000 2.634 2385 S HA 0.014 4.484 4.470 -0.000 0.000 0.221 2385 S C 1.135 175.737 174.600 0.003 0.000 0.952 2385 S CA -0.434 57.817 58.200 0.084 0.000 0.930 2385 S CB -0.225 63.118 63.200 0.238 0.000 0.780 2385 S HN 0.274 nan 8.310 nan 0.000 0.498 2386 Y N 3.960 124.132 120.300 -0.214 0.000 2.139 2386 Y HA -0.161 4.389 4.550 -0.000 0.000 0.282 2386 Y C -0.801 175.001 175.900 -0.163 0.000 1.179 2386 Y CA 1.806 59.745 58.100 -0.268 0.000 1.161 2386 Y CB -1.128 36.976 38.460 -0.594 0.000 0.970 2386 Y HN 0.285 nan 8.280 nan 0.000 0.511 2387 P HA -0.103 nan 4.420 nan 0.000 0.234 2387 P C 0.790 178.017 177.300 -0.121 0.000 1.167 2387 P CA 1.522 64.578 63.100 -0.074 0.000 0.763 2387 P CB -0.113 31.589 31.700 0.003 0.000 0.835 2388 L N -1.939 119.207 121.223 -0.129 0.000 2.749 2388 L HA 0.209 4.549 4.340 -0.000 0.000 0.242 2388 L C 1.099 177.853 176.870 -0.194 0.000 1.103 2388 L CA -0.086 54.683 54.840 -0.118 0.000 0.906 2388 L CB 0.492 42.545 42.059 -0.010 0.000 1.228 2388 L HN -0.159 nan 8.230 nan 0.000 0.517 2396 I N 2.001 122.660 120.570 0.148 0.000 2.203 2396 I HA -0.289 3.881 4.170 -0.000 0.000 0.237 2396 I C -0.246 175.959 176.117 0.147 0.000 0.993 2396 I CA 2.591 64.003 61.300 0.187 0.000 1.277 2396 I CB -2.314 35.820 38.000 0.224 0.000 0.984 2396 I HN 0.206 nan 8.210 nan 0.000 0.402 2397 P HA -0.207 nan 4.420 nan 0.000 0.215 2397 P C 1.716 179.070 177.300 0.089 0.000 1.163 2397 P CA 1.936 65.086 63.100 0.083 0.000 0.894 2397 P CB -0.072 31.656 31.700 0.047 0.000 0.791 2398 E N -0.119 120.126 120.200 0.075 0.000 2.070 2398 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 2398 E C 1.930 178.620 176.600 0.150 0.000 1.004 2398 E CA 1.972 58.424 56.400 0.086 0.000 0.805 2398 E CB -1.127 28.601 29.700 0.046 0.000 0.744 2398 E HN 0.092 nan 8.360 nan 0.000 0.451 2399 A N -0.237 122.681 122.820 0.165 0.000 1.841 2399 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 2399 A C 2.540 180.266 177.584 0.237 0.000 1.195 2399 A CA 2.995 55.169 52.037 0.229 0.000 0.611 2399 A CB -1.608 17.516 19.000 0.206 0.000 0.835 2399 A HN 0.526 nan 8.150 nan 0.000 0.443 2400 T N -1.555 113.132 114.554 0.221 0.000 2.721 2400 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 2400 T C 1.731 176.546 174.700 0.192 0.000 1.038 2400 T CA 1.889 64.131 62.100 0.237 0.000 1.145 2400 T CB -0.444 68.553 68.868 0.214 0.000 0.858 2400 T HN 0.650 nan 8.240 nan 0.000 0.459 2401 E N 1.103 121.385 120.200 0.136 0.000 2.028 2401 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 2401 E C 2.289 178.920 176.600 0.051 0.000 0.988 2401 E CA 1.166 57.617 56.400 0.084 0.000 0.799 2401 E CB -0.176 29.559 29.700 0.058 0.000 0.755 2401 E HN 0.418 nan 8.360 nan 0.000 0.447 2402 K N -0.349 120.060 120.400 0.015 0.000 2.218 2402 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 2402 K C 1.286 177.788 176.600 -0.164 0.000 1.046 2402 K CA 1.542 57.727 56.287 -0.170 0.000 0.933 2402 K CB -0.279 31.928 32.500 -0.487 0.000 0.728 2402 K HN 0.287 nan 8.250 nan 0.000 0.454 2403 Y N -1.193 119.051 120.300 -0.093 0.000 2.462 2403 Y HA 0.274 4.824 4.550 -0.000 0.000 0.253 2403 Y C 1.060 176.975 175.900 0.025 0.000 1.095 2403 Y CA 0.169 58.253 58.100 -0.027 0.000 1.283 2403 Y CB 0.723 39.209 38.460 0.043 0.000 1.138 2403 Y HN -0.086 nan 8.280 nan 0.000 0.522 2404 L N -2.264 119.064 121.223 0.175 0.000 2.966 2404 L HA 0.354 4.694 4.340 -0.000 0.000 0.262 2404 L C 2.132 179.045 176.870 0.071 0.000 1.165 2404 L CA 0.507 55.426 54.840 0.132 0.000 0.978 2404 L CB -0.039 42.115 42.059 0.157 0.000 1.337 2404 L HN 0.136 nan 8.230 nan 0.000 0.563 2405 G N 0.979 109.803 108.800 0.041 0.000 2.433 2405 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 2405 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 2405 G C 1.503 176.408 174.900 0.008 0.000 1.186 2405 G CA 0.812 45.922 45.100 0.018 0.000 0.779 2405 G HN 0.421 nan 8.290 nan 0.000 0.543 2406 G N -0.665 108.131 108.800 -0.007 0.000 2.615 2406 G HA2 0.230 4.190 3.960 -0.000 0.000 0.213 2406 G HA3 0.230 4.190 3.960 -0.000 0.000 0.213 2406 G C 0.339 175.241 174.900 0.004 0.000 1.135 2406 G CA 1.199 46.293 45.100 -0.009 0.000 0.772 2406 G HN 0.452 nan 8.290 nan 0.000 0.542 2407 T N -1.223 113.342 114.554 0.018 0.000 2.952 2407 T HA 0.272 4.622 4.350 -0.000 0.000 0.305 2407 T C -0.076 174.642 174.700 0.030 0.000 1.064 2407 T CA -0.478 61.636 62.100 0.024 0.000 1.008 2407 T CB 2.322 71.210 68.868 0.032 0.000 1.078 2407 T HN 0.015 nan 8.240 nan 0.000 0.459 2408 D N 1.181 121.596 120.400 0.025 0.000 2.327 2408 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 2408 D C 0.502 176.819 176.300 0.029 0.000 0.989 2408 D CA 0.079 54.094 54.000 0.025 0.000 0.873 2408 D CB 0.250 41.061 40.800 0.019 0.000 0.955 2408 D HN 0.519 nan 8.370 nan 0.000 0.515 2409 D N -0.056 120.362 120.400 0.030 0.000 2.356 2409 D HA -0.067 4.573 4.640 -0.000 0.000 0.272 2409 D C 1.302 177.627 176.300 0.042 0.000 1.337 2409 D CA 0.422 54.441 54.000 0.033 0.000 0.970 2409 D CB 0.594 41.413 40.800 0.031 0.000 1.092 2409 D HN 0.142 nan 8.370 nan 0.000 0.516 2410 T N 0.253 114.831 114.554 0.039 0.000 3.025 2410 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 2410 T C 1.752 176.484 174.700 0.053 0.000 1.126 2410 T CA 0.927 63.054 62.100 0.044 0.000 1.105 2410 T CB -0.165 68.723 68.868 0.034 0.000 0.884 2410 T HN 0.206 nan 8.240 nan 0.000 0.522 2411 V N 1.367 121.312 119.914 0.051 0.000 2.302 2411 V HA -0.033 4.087 4.120 -0.000 0.000 0.243 2411 V C 2.797 178.933 176.094 0.070 0.000 1.036 2411 V CA 1.777 64.112 62.300 0.057 0.000 1.020 2411 V CB -0.636 31.215 31.823 0.047 0.000 0.657 2411 V HN 0.464 nan 8.190 nan 0.000 0.453 2412 K N 0.568 121.007 120.400 0.064 0.000 2.009 2412 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 2412 K C 2.219 178.876 176.600 0.096 0.000 1.049 2412 K CA 1.784 58.114 56.287 0.072 0.000 0.929 2412 K CB -0.190 32.344 32.500 0.057 0.000 0.714 2412 K HN 0.351 nan 8.250 nan 0.000 0.440 2413 K N 0.714 121.169 120.400 0.092 0.000 2.173 2413 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 2413 K C 2.155 178.849 176.600 0.157 0.000 1.046 2413 K CA 1.754 58.112 56.287 0.118 0.000 0.929 2413 K CB -0.105 32.451 32.500 0.094 0.000 0.720 2413 K HN 0.186 nan 8.250 nan 0.000 0.453 2414 K N 1.063 121.545 120.400 0.136 0.000 2.057 2414 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 2414 K C 1.348 178.075 176.600 0.212 0.000 1.050 2414 K CA 1.748 58.135 56.287 0.166 0.000 0.935 2414 K CB 0.099 32.675 32.500 0.127 0.000 0.715 2414 K HN 0.084 nan 8.250 nan 0.000 0.439 2415 D N 0.907 121.407 120.400 0.167 0.000 2.178 2415 D HA -0.142 4.498 4.640 -0.000 0.000 0.202 2415 D C 1.962 178.366 176.300 0.174 0.000 0.974 2415 D CA 0.927 55.023 54.000 0.159 0.000 0.841 2415 D CB -0.022 40.853 40.800 0.124 0.000 0.953 2415 D HN 0.268 nan 8.370 nan 0.000 0.478 2416 L N -0.226 121.114 121.223 0.194 0.000 2.201 2416 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 2416 L C 2.250 179.269 176.870 0.248 0.000 1.105 2416 L CA 0.460 55.444 54.840 0.240 0.000 0.775 2416 L CB -0.278 41.919 42.059 0.230 0.000 0.913 2416 L HN -0.045 nan 8.230 nan 0.000 0.440 2417 F N 0.153 120.155 119.950 0.086 0.000 2.234 2417 F HA -0.108 4.419 4.527 -0.000 0.000 0.296 2417 F C 1.977 177.735 175.800 -0.071 0.000 1.089 2417 F CA 1.048 59.058 58.000 0.015 0.000 1.343 2417 F CB 0.070 39.100 39.000 0.049 0.000 1.040 2417 F HN -0.126 nan 8.300 nan 0.000 0.498 2418 L N 0.348 121.584 121.223 0.022 0.000 2.201 2418 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 2418 L C 1.837 178.618 176.870 -0.148 0.000 1.105 2418 L CA 1.437 56.216 54.840 -0.103 0.000 0.775 2418 L CB -0.928 41.201 42.059 0.116 0.000 0.913 2418 L HN 0.056 nan 8.230 nan 0.000 0.440 2419 D N -1.129 119.249 120.400 -0.036 0.000 2.194 2419 D HA -0.105 4.535 4.640 -0.000 0.000 0.204 2419 D C 2.060 178.285 176.300 -0.124 0.000 0.964 2419 D CA 0.628 54.656 54.000 0.048 0.000 0.846 2419 D CB -0.058 40.885 40.800 0.238 0.000 0.962 2419 D HN 0.149 nan 8.370 nan 0.000 0.490 2420 L N 1.289 122.219 121.223 -0.488 0.000 1.943 2420 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 2420 L C 1.927 178.397 176.870 -0.667 0.000 1.074 2420 L CA 1.647 55.917 54.840 -0.950 0.000 0.759 2420 L CB -1.097 40.366 42.059 -0.994 0.000 0.888 2420 L HN -0.090 nan 8.230 nan 0.000 0.433 2421 I N 0.730 120.834 120.570 -0.777 0.000 2.181 2421 I HA -0.368 3.802 4.170 -0.000 0.000 0.247 2421 I C 2.763 178.614 176.117 -0.444 0.000 1.081 2421 I CA 1.752 62.619 61.300 -0.720 0.000 1.340 2421 I CB -2.108 35.212 38.000 -1.133 0.000 1.036 2421 I HN 0.502 nan 8.210 nan 0.000 0.417 2422 A N 0.870 123.524 122.820 -0.277 0.000 1.851 2422 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 2422 A C 2.035 179.639 177.584 0.033 0.000 1.195 2422 A CA 2.314 54.384 52.037 0.056 0.000 0.622 2422 A CB -0.870 18.192 19.000 0.104 0.000 0.831 2422 A HN 0.372 nan 8.150 nan 0.000 0.444 2423 D N -0.505 119.845 120.400 -0.082 0.000 2.123 2423 D HA -0.106 4.534 4.640 -0.000 0.000 0.196 2423 D C 1.963 178.050 176.300 -0.355 0.000 0.992 2423 D CA 1.414 55.345 54.000 -0.115 0.000 0.833 2423 D CB -0.395 40.418 40.800 0.022 0.000 0.954 2423 D HN 0.210 nan 8.370 nan 0.000 0.455 2424 V N 0.389 119.941 119.914 -0.603 0.000 2.358 2424 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 2424 V C 2.339 178.173 176.094 -0.433 0.000 1.047 2424 V CA 1.321 63.214 62.300 -0.679 0.000 1.035 2424 V CB -0.334 31.034 31.823 -0.759 0.000 0.658 2424 V HN 0.247 nan 8.190 nan 0.000 0.452 2425 M N -1.771 117.578 119.600 -0.417 0.000 2.236 2425 M HA 0.025 4.505 4.480 -0.000 0.000 0.266 2425 M C 1.762 177.543 176.300 -0.866 0.000 1.070 2425 M CA 2.022 56.934 55.300 -0.646 0.000 1.137 2425 M CB -0.045 32.099 32.600 -0.761 0.000 1.378 2425 M HN 0.393 nan 8.290 nan 0.000 0.426 2426 F N -2.126 117.764 119.950 -0.101 0.000 2.421 2426 F HA 0.351 4.878 4.527 -0.000 0.000 0.270 2426 F C 2.293 178.038 175.800 -0.091 0.000 0.894 2426 F CA 0.134 58.091 58.000 -0.071 0.000 1.128 2426 F CB -1.368 37.624 39.000 -0.013 0.000 1.011 2426 F HN 0.020 nan 8.300 nan 0.000 0.788 2427 G N 1.530 110.416 108.800 0.142 0.000 2.777 2427 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 2427 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 2427 G C 1.684 176.582 174.900 -0.003 0.000 1.295 2427 G CA 2.350 47.477 45.100 0.045 0.000 0.800 2427 G HN 0.169 nan 8.290 nan 0.000 0.637 2428 V N 2.437 122.336 119.914 -0.025 0.000 2.287 2428 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 2428 V C 0.448 176.532 176.094 -0.018 0.000 1.053 2428 V CA 2.365 64.668 62.300 0.005 0.000 1.027 2428 V CB -1.411 30.409 31.823 -0.004 0.000 0.646 2428 V HN 0.282 nan 8.190 nan 0.000 0.447 2429 P HA -0.129 nan 4.420 nan 0.000 0.214 2429 P C 2.117 179.375 177.300 -0.071 0.000 1.163 2429 P CA 2.013 65.067 63.100 -0.077 0.000 0.889 2429 P CB -0.183 31.439 31.700 -0.130 0.000 0.790 2430 S N -0.491 115.164 115.700 -0.076 0.000 2.365 2430 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 2430 S C 2.084 176.592 174.600 -0.154 0.000 1.039 2430 S CA 1.592 59.720 58.200 -0.119 0.000 1.033 2430 S CB -1.291 61.831 63.200 -0.130 0.000 0.887 2430 S HN -0.050 nan 8.310 nan 0.000 0.447 2431 V N 1.999 121.838 119.914 -0.124 0.000 2.307 2431 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 2431 V C 2.049 178.124 176.094 -0.032 0.000 1.045 2431 V CA 1.465 63.694 62.300 -0.118 0.000 1.024 2431 V CB -0.688 31.114 31.823 -0.036 0.000 0.651 2431 V HN 0.459 nan 8.190 nan 0.000 0.449 2432 I N -0.334 120.238 120.570 0.004 0.000 2.335 2432 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 2432 I C 2.300 178.431 176.117 0.023 0.000 1.129 2432 I CA 1.158 62.480 61.300 0.037 0.000 1.402 2432 I CB -0.410 37.610 38.000 0.033 0.000 1.069 2432 I HN 0.174 nan 8.210 nan 0.000 0.424 2433 V N 0.881 120.781 119.914 -0.024 0.000 2.255 2433 V HA -0.231 3.889 4.120 -0.000 0.000 0.243 2433 V C 2.752 178.846 176.094 0.001 0.000 1.038 2433 V CA 1.890 64.173 62.300 -0.030 0.000 1.008 2433 V CB -0.960 30.823 31.823 -0.068 0.000 0.645 2433 V HN 0.476 nan 8.190 nan 0.000 0.449 2434 A N -0.074 122.691 122.820 -0.092 0.000 1.958 2434 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 2434 A C 2.336 179.985 177.584 0.107 0.000 1.178 2434 A CA 2.303 54.264 52.037 -0.127 0.000 0.642 2434 A CB -0.572 18.118 19.000 -0.517 0.000 0.816 2434 A HN 0.540 nan 8.150 nan 0.000 0.453 2435 R N -0.634 119.964 120.500 0.163 0.000 2.066 2435 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 2435 R C 2.133 178.563 176.300 0.217 0.000 1.131 2435 R CA 1.664 57.931 56.100 0.278 0.000 0.955 2435 R CB -0.500 29.939 30.300 0.231 0.000 0.851 2435 R HN 0.729 nan 8.270 nan 0.000 0.432 2436 N N -0.462 118.347 118.700 0.180 0.000 2.069 2436 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 2436 N C 1.818 177.516 175.510 0.313 0.000 1.031 2436 N CA 1.199 54.375 53.050 0.209 0.000 0.852 2436 N CB -0.213 38.376 38.487 0.171 0.000 1.018 2436 N HN 0.267 nan 8.380 nan 0.000 0.423 2437 H N 1.391 120.580 119.070 0.199 0.000 2.352 2437 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 2437 H C 2.260 177.747 175.328 0.266 0.000 1.097 2437 H CA 1.610 57.824 56.048 0.276 0.000 1.311 2437 H CB 0.052 29.912 29.762 0.164 0.000 1.377 2437 H HN 0.041 nan 8.280 nan 0.000 0.504 2438 R N 0.232 120.901 120.500 0.282 0.000 2.081 2438 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 2438 R C 1.100 177.467 176.300 0.112 0.000 1.131 2438 R CA 2.043 58.262 56.100 0.199 0.000 0.960 2438 R CB -0.129 30.327 30.300 0.260 0.000 0.856 2438 R HN 0.372 nan 8.270 nan 0.000 0.436 2439 D N 0.114 120.590 120.400 0.127 0.000 2.269 2439 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 2439 D C 1.351 177.673 176.300 0.037 0.000 0.963 2439 D CA 1.116 55.163 54.000 0.078 0.000 0.864 2439 D CB 0.094 40.948 40.800 0.091 0.000 0.936 2439 D HN 0.393 nan 8.370 nan 0.000 0.505 2440 A N -0.406 122.438 122.820 0.039 0.000 2.206 2440 A HA 0.401 4.721 4.320 -0.000 0.000 0.211 2440 A C 1.752 179.270 177.584 -0.110 0.000 1.158 2440 A CA 1.105 53.088 52.037 -0.090 0.000 0.761 2440 A CB -0.106 18.756 19.000 -0.231 0.000 0.801 2440 A HN 0.244 nan 8.150 nan 0.000 0.473 2441 G N -2.732 106.034 108.800 -0.056 0.000 2.148 2441 G HA2 0.215 4.175 3.960 -0.000 0.000 0.203 2441 G HA3 0.215 4.175 3.960 -0.000 0.000 0.203 2441 G C 0.198 175.075 174.900 -0.039 0.000 0.993 2441 G CA 0.117 45.190 45.100 -0.045 0.000 0.661 2441 G HN 1.526 nan 8.290 nan 0.000 0.518 2442 A N 0.074 122.853 122.820 -0.069 0.000 2.330 2442 A HA 0.917 5.237 4.320 -0.000 0.000 0.329 2442 A C -2.414 175.236 177.584 0.110 0.000 1.135 2442 A CA -1.708 50.324 52.037 -0.010 0.000 0.817 2442 A CB 1.352 20.304 19.000 -0.081 0.000 1.269 2442 A HN 0.033 nan 8.150 nan 0.000 0.469 2443 P HA 0.180 nan 4.420 nan 0.000 0.264 2443 P C -0.438 177.010 177.300 0.247 0.000 1.183 2443 P CA 0.835 64.032 63.100 0.161 0.000 0.763 2443 P CB 0.529 32.371 31.700 0.236 0.000 0.807 2444 T N 3.113 117.669 114.554 0.003 0.000 2.952 2444 T HA 0.504 4.854 4.350 -0.000 0.000 0.305 2444 T C -1.188 173.332 174.700 -0.300 0.000 1.064 2444 T CA -0.209 61.923 62.100 0.054 0.000 1.008 2444 T CB 0.741 69.740 68.868 0.218 0.000 1.078 2444 T HN 0.092 nan 8.240 nan 0.000 0.459 2445 Y N 1.780 122.079 120.300 -0.001 0.000 2.406 2445 Y HA 0.653 5.203 4.550 -0.000 0.000 0.340 2445 Y C 0.050 175.980 175.900 0.050 0.000 0.975 2445 Y CA -1.045 57.038 58.100 -0.027 0.000 1.056 2445 Y CB 1.861 40.021 38.460 -0.500 0.000 1.210 2445 Y HN 0.353 nan 8.280 nan 0.000 0.448 2446 M N 3.971 123.835 119.600 0.439 0.000 2.598 2446 M HA 0.531 5.011 4.480 -0.000 0.000 0.317 2446 M C -1.388 175.212 176.300 0.500 0.000 1.179 2446 M CA -1.020 54.415 55.300 0.226 0.000 0.936 2446 M CB 2.739 35.272 32.600 -0.112 0.000 1.713 2446 M HN 0.802 nan 8.290 nan 0.000 0.460 2447 Y N -1.107 119.305 120.300 0.188 0.000 2.609 2447 Y HA 0.676 5.226 4.550 -0.000 0.000 0.336 2447 Y C -1.609 174.354 175.900 0.106 0.000 1.129 2447 Y CA -0.996 57.176 58.100 0.120 0.000 1.040 2447 Y CB 1.557 40.033 38.460 0.027 0.000 1.310 2447 Y HN 0.712 nan 8.280 nan 0.000 0.460 2448 E N 3.362 123.799 120.200 0.395 0.000 2.279 2448 E HA 0.304 4.654 4.350 -0.000 0.000 0.252 2448 E C -2.105 174.734 176.600 0.399 0.000 0.894 2448 E CA -0.791 55.781 56.400 0.286 0.000 0.785 2448 E CB 1.117 30.933 29.700 0.193 0.000 1.237 2448 E HN 0.640 nan 8.360 nan 0.000 0.418 2449 F N 4.100 124.248 119.950 0.330 0.000 2.412 2449 F HA 0.194 4.721 4.527 -0.000 0.000 0.348 2449 F C -0.251 175.650 175.800 0.168 0.000 1.102 2449 F CA 0.174 58.313 58.000 0.232 0.000 1.196 2449 F CB 0.777 39.929 39.000 0.252 0.000 1.144 2449 F HN 0.430 nan 8.300 nan 0.000 0.541 2450 Q N 6.497 126.065 119.800 -0.386 0.000 2.650 2450 Q HA 0.374 4.714 4.340 -0.000 0.000 0.239 2450 Q C -2.203 173.648 176.000 -0.249 0.000 0.893 2450 Q CA -0.896 54.805 55.803 -0.171 0.000 0.755 2450 Q CB 1.520 30.228 28.738 -0.050 0.000 1.349 2450 Q HN 0.748 nan 8.270 nan 0.000 0.461 2451 Y N 0.607 120.716 120.300 -0.318 0.000 2.522 2451 Y HA 0.324 4.874 4.550 -0.000 0.000 0.326 2451 Y C -1.910 174.009 175.900 0.030 0.000 1.198 2451 Y CA -0.718 57.257 58.100 -0.208 0.000 1.112 2451 Y CB 1.784 40.009 38.460 -0.393 0.000 1.342 2451 Y HN 0.725 nan 8.280 nan 0.000 0.460 2452 R N 7.107 127.320 120.500 -0.479 0.000 2.230 2452 R HA 0.440 4.780 4.340 -0.000 0.000 0.337 2452 R C -2.612 173.497 176.300 -0.320 0.000 1.063 2452 R CA -1.850 54.082 56.100 -0.279 0.000 0.935 2452 R CB 0.651 30.781 30.300 -0.284 0.000 1.121 2452 R HN 0.389 nan 8.270 nan 0.000 0.486 2453 P HA -0.032 nan 4.420 nan 0.000 0.269 2453 P C 0.206 177.407 177.300 -0.166 0.000 1.215 2453 P CA 0.027 63.124 63.100 -0.004 0.000 0.780 2453 P CB 1.366 33.020 31.700 -0.078 0.000 0.898 2454 S N 0.858 116.442 115.700 -0.194 0.000 2.453 2454 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 2454 S C 1.256 175.592 174.600 -0.439 0.000 1.005 2454 S CA 0.495 58.484 58.200 -0.352 0.000 0.949 2454 S CB -1.009 61.913 63.200 -0.463 0.000 0.774 2454 S HN 0.320 nan 8.310 nan 0.000 0.510 2455 F N 2.920 122.701 119.950 -0.281 0.000 2.769 2455 F HA 0.376 4.903 4.527 -0.000 0.000 0.304 2455 F C 1.294 176.899 175.800 -0.325 0.000 1.158 2455 F CA -0.385 57.434 58.000 -0.301 0.000 1.398 2455 F CB -0.559 38.217 39.000 -0.372 0.000 1.094 2455 F HN 0.062 nan 8.300 nan 0.000 0.553 2456 S N -0.526 115.072 115.700 -0.169 0.000 2.596 2456 S HA 0.099 4.569 4.470 -0.000 0.000 0.260 2456 S C 0.550 175.130 174.600 -0.033 0.000 1.336 2456 S CA -0.653 57.494 58.200 -0.090 0.000 0.993 2456 S CB 0.866 63.995 63.200 -0.118 0.000 0.923 2456 S HN 0.247 nan 8.310 nan 0.000 0.567 2457 S N 0.039 115.751 115.700 0.018 0.000 2.585 2457 S HA 0.054 4.524 4.470 -0.000 0.000 0.273 2457 S C 0.763 175.292 174.600 -0.118 0.000 1.339 2457 S CA -0.603 57.617 58.200 0.033 0.000 1.028 2457 S CB 0.186 63.540 63.200 0.256 0.000 0.906 2457 S HN 0.598 nan 8.310 nan 0.000 0.528 2458 D N 3.307 123.674 120.400 -0.054 0.000 2.144 2458 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 2458 D C 1.677 177.892 176.300 -0.142 0.000 0.984 2458 D CA 1.549 55.496 54.000 -0.088 0.000 0.834 2458 D CB -0.118 40.662 40.800 -0.032 0.000 0.955 2458 D HN 0.639 nan 8.370 nan 0.000 0.465 2459 M N 0.285 119.826 119.600 -0.099 0.000 2.557 2459 M HA -0.045 4.435 4.480 -0.000 0.000 0.259 2459 M C 1.027 176.980 176.300 -0.578 0.000 1.086 2459 M CA 0.431 55.678 55.300 -0.088 0.000 1.096 2459 M CB 0.038 32.807 32.600 0.282 0.000 1.424 2459 M HN -0.234 nan 8.290 nan 0.000 0.488 2460 K N 3.542 123.258 120.400 -1.139 0.000 2.378 2460 K HA 0.144 4.464 4.320 -0.000 0.000 0.288 2460 K C -2.206 173.907 176.600 -0.811 0.000 1.057 2460 K CA -1.590 53.646 56.287 -1.751 0.000 0.971 2460 K CB 0.535 32.248 32.500 -1.311 0.000 0.975 2460 K HN -0.069 nan 8.250 nan 0.000 0.475 2461 P HA -0.058 nan 4.420 nan 0.000 0.264 2461 P C -0.346 176.809 177.300 -0.242 0.000 1.183 2461 P CA 0.142 63.058 63.100 -0.307 0.000 0.763 2461 P CB 0.906 32.500 31.700 -0.177 0.000 0.807 2462 K N 2.146 122.440 120.400 -0.178 0.000 2.360 2462 K HA -0.106 4.214 4.320 -0.000 0.000 0.201 2462 K C 1.635 178.168 176.600 -0.111 0.000 1.046 2462 K CA 1.663 57.861 56.287 -0.148 0.000 0.945 2462 K CB -0.423 32.002 32.500 -0.126 0.000 0.750 2462 K HN 0.571 nan 8.250 nan 0.000 0.464 2463 T N -2.572 111.932 114.554 -0.084 0.000 3.113 2463 T HA 0.091 4.441 4.350 -0.000 0.000 0.256 2463 T C 0.499 175.181 174.700 -0.030 0.000 1.131 2463 T CA -0.209 61.862 62.100 -0.048 0.000 1.074 2463 T CB 0.009 68.864 68.868 -0.022 0.000 0.944 2463 T HN -0.148 nan 8.240 nan 0.000 0.516 2464 V N 2.528 122.417 119.914 -0.042 0.000 2.488 2464 V HA 0.437 4.557 4.120 -0.000 0.000 0.277 2464 V C 0.041 176.134 176.094 -0.001 0.000 1.046 2464 V CA -0.452 61.850 62.300 0.004 0.000 0.986 2464 V CB 0.438 32.271 31.823 0.015 0.000 0.989 2464 V HN 0.463 nan 8.190 nan 0.000 0.475 2465 I N 3.309 123.900 120.570 0.035 0.000 2.569 2465 I HA 0.590 4.760 4.170 -0.000 0.000 0.290 2465 I C 0.753 176.933 176.117 0.106 0.000 1.088 2465 I CA -0.638 60.682 61.300 0.032 0.000 1.047 2465 I CB 1.991 39.983 38.000 -0.013 0.000 1.237 2465 I HN 0.766 nan 8.210 nan 0.000 0.421 2466 G N 3.412 112.319 108.800 0.179 0.000 2.298 2466 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.287 2466 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.287 2466 G C -0.322 174.726 174.900 0.246 0.000 1.075 2466 G CA 0.147 45.422 45.100 0.293 0.000 0.960 2466 G HN 0.761 nan 8.290 nan 0.000 0.502 2467 D N -0.887 119.658 120.400 0.241 0.000 2.398 2467 D HA 0.365 5.005 4.640 -0.000 0.000 0.247 2467 D C 0.921 177.362 176.300 0.236 0.000 1.227 2467 D CA -0.541 53.600 54.000 0.235 0.000 0.980 2467 D CB 0.374 41.337 40.800 0.272 0.000 1.106 2467 D HN 0.360 nan 8.370 nan 0.000 0.493 2468 H N -0.513 118.620 119.070 0.106 0.000 3.070 2468 H HA 0.292 4.848 4.556 -0.000 0.000 0.313 2468 H C 1.341 176.784 175.328 0.191 0.000 0.997 2468 H CA 1.763 57.845 56.048 0.057 0.000 1.438 2468 H CB 0.012 29.786 29.762 0.020 0.000 1.455 2468 H HN 0.586 nan 8.280 nan 0.000 0.575 2469 G N 4.371 112.992 108.800 -0.299 0.000 2.184 2469 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 2469 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 2469 G C 1.179 176.024 174.900 -0.092 0.000 0.975 2469 G CA 0.546 45.441 45.100 -0.342 0.000 0.642 2469 G HN 0.676 nan 8.290 nan 0.000 0.536 2470 D N 0.912 121.380 120.400 0.113 0.000 2.218 2470 D HA -0.058 4.582 4.640 -0.000 0.000 0.204 2470 D C 2.443 178.748 176.300 0.009 0.000 0.976 2470 D CA 1.330 55.507 54.000 0.295 0.000 0.853 2470 D CB -0.046 40.994 40.800 0.400 0.000 0.939 2470 D HN 0.766 nan 8.370 nan 0.000 0.481 2471 E N 1.037 120.884 120.200 -0.589 0.000 2.347 2471 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 2471 E C 2.270 178.536 176.600 -0.557 0.000 1.008 2471 E CA 0.159 55.821 56.400 -1.231 0.000 0.852 2471 E CB -0.698 28.308 29.700 -1.157 0.000 0.783 2471 E HN 0.326 nan 8.360 nan 0.000 0.505 2472 L N -0.082 120.920 121.223 -0.369 0.000 2.081 2472 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 2472 L C 2.417 179.075 176.870 -0.354 0.000 1.080 2472 L CA 1.575 56.192 54.840 -0.372 0.000 0.754 2472 L CB -0.576 41.116 42.059 -0.612 0.000 0.893 2472 L HN 0.036 nan 8.230 nan 0.000 0.433 2473 F N -0.966 118.917 119.950 -0.112 0.000 2.407 2473 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 2473 F C 2.551 178.300 175.800 -0.085 0.000 1.097 2473 F CA 0.856 58.816 58.000 -0.066 0.000 1.422 2473 F CB -0.548 38.466 39.000 0.025 0.000 1.067 2473 F HN -0.024 nan 8.300 nan 0.000 0.539 2474 S N -0.168 115.530 115.700 -0.003 0.000 2.371 2474 S HA -0.074 4.396 4.470 -0.000 0.000 0.221 2474 S C 2.306 176.703 174.600 -0.338 0.000 1.036 2474 S CA 0.876 59.007 58.200 -0.115 0.000 0.965 2474 S CB -0.513 62.612 63.200 -0.124 0.000 0.845 2474 S HN 0.117 nan 8.310 nan 0.000 0.475 2475 V N 1.062 120.649 119.914 -0.546 0.000 2.287 2475 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 2475 V C 1.412 177.043 176.094 -0.771 0.000 1.053 2475 V CA 1.668 63.469 62.300 -0.830 0.000 1.027 2475 V CB -0.749 30.503 31.823 -0.953 0.000 0.646 2475 V HN 0.455 nan 8.190 nan 0.000 0.447 2476 F N 0.606 120.317 119.950 -0.400 0.000 2.663 2476 F HA 0.457 4.984 4.527 -0.000 0.000 0.299 2476 F C 1.655 177.303 175.800 -0.253 0.000 1.143 2476 F CA 0.436 58.232 58.000 -0.341 0.000 1.387 2476 F CB -0.444 38.331 39.000 -0.375 0.000 1.019 2476 F HN 0.250 nan 8.300 nan 0.000 0.523 2477 G N 0.900 109.620 108.800 -0.134 0.000 2.366 2477 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.299 2477 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.299 2477 G C 1.291 176.275 174.900 0.141 0.000 1.020 2477 G CA 0.340 45.420 45.100 -0.033 0.000 1.026 2477 G HN 0.595 nan 8.290 nan 0.000 0.512 2478 A N 0.249 123.108 122.820 0.064 0.000 1.948 2478 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 2478 A C 0.645 178.174 177.584 -0.090 0.000 1.177 2478 A CA 2.061 54.047 52.037 -0.085 0.000 0.636 2478 A CB -0.652 18.289 19.000 -0.099 0.000 0.815 2478 A HN 0.450 nan 8.150 nan 0.000 0.449 2479 P HA -0.044 nan 4.420 nan 0.000 0.236 2479 P C 0.187 177.361 177.300 -0.210 0.000 1.172 2479 P CA 0.879 64.014 63.100 0.058 0.000 0.759 2479 P CB -0.167 31.508 31.700 -0.041 0.000 0.843 2480 F N -2.816 117.158 119.950 0.039 0.000 2.682 2480 F HA 0.244 4.771 4.527 -0.000 0.000 0.308 2480 F C 1.836 177.678 175.800 0.070 0.000 1.093 2480 F CA 0.214 58.264 58.000 0.083 0.000 1.244 2480 F CB -0.188 38.883 39.000 0.119 0.000 1.052 2480 F HN -0.211 nan 8.300 nan 0.000 0.573 2481 L N -1.161 120.156 121.223 0.156 0.000 2.624 2481 L HA 0.228 4.568 4.340 -0.000 0.000 0.222 2481 L C 0.734 177.635 176.870 0.051 0.000 1.046 2481 L CA 0.228 55.119 54.840 0.085 0.000 0.872 2481 L CB 0.062 42.136 42.059 0.024 0.000 1.190 2481 L HN -0.198 nan 8.230 nan 0.000 0.487 2482 K N 0.250 120.653 120.400 0.005 0.000 2.148 2482 K HA 0.317 4.637 4.320 -0.000 0.000 0.239 2482 K C -0.349 176.423 176.600 0.286 0.000 1.018 2482 K CA -0.712 55.649 56.287 0.122 0.000 0.923 2482 K CB 0.869 33.331 32.500 -0.062 0.000 1.117 2482 K HN -0.177 nan 8.250 nan 0.000 0.477 2483 E N -0.214 120.176 120.200 0.316 0.000 2.232 2483 E HA 0.272 4.622 4.350 -0.000 0.000 0.264 2483 E C -0.182 176.466 176.600 0.081 0.000 0.973 2483 E CA -0.472 56.029 56.400 0.168 0.000 0.849 2483 E CB 1.481 31.236 29.700 0.091 0.000 1.198 2483 E HN 0.751 nan 8.360 nan 0.000 0.407 2484 G N 0.681 109.480 108.800 -0.002 0.000 2.415 2484 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.283 2484 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.283 2484 G C -0.214 174.576 174.900 -0.183 0.000 1.014 2484 G CA 0.289 45.333 45.100 -0.095 0.000 1.323 2484 G HN 0.563 nan 8.290 nan 0.000 0.502 2485 A N 1.539 124.297 122.820 -0.105 0.000 2.319 2485 A HA 0.912 5.232 4.320 -0.000 0.000 0.310 2485 A C 0.654 178.191 177.584 -0.079 0.000 1.152 2485 A CA 0.448 52.422 52.037 -0.106 0.000 0.783 2485 A CB 0.974 19.983 19.000 0.016 0.000 1.184 2485 A HN 2.199 nan 8.150 nan 0.000 0.474 2486 S N 1.646 117.304 115.700 -0.070 0.000 2.558 2486 S HA 0.019 4.489 4.470 -0.000 0.000 0.291 2486 S C 0.866 175.447 174.600 -0.032 0.000 1.306 2486 S CA 0.602 58.777 58.200 -0.042 0.000 1.056 2486 S CB 0.743 63.931 63.200 -0.019 0.000 0.836 2486 S HN 0.814 nan 8.310 nan 0.000 0.504 2487 E N 1.240 121.420 120.200 -0.033 0.000 2.273 2487 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 2487 E C 1.765 178.350 176.600 -0.024 0.000 1.002 2487 E CA 1.911 58.290 56.400 -0.034 0.000 0.828 2487 E CB -0.241 29.444 29.700 -0.025 0.000 0.747 2487 E HN 0.896 nan 8.360 nan 0.000 0.491 2488 E N -0.016 120.180 120.200 -0.007 0.000 2.072 2488 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 2488 E C 1.977 178.557 176.600 -0.033 0.000 0.985 2488 E CA 1.231 57.630 56.400 -0.002 0.000 0.801 2488 E CB -0.106 29.624 29.700 0.049 0.000 0.750 2488 E HN 0.437 nan 8.360 nan 0.000 0.452 2489 E N 0.310 120.517 120.200 0.011 0.000 2.072 2489 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 2489 E C 2.172 178.760 176.600 -0.020 0.000 0.982 2489 E CA 0.962 57.365 56.400 0.005 0.000 0.803 2489 E CB -0.075 29.702 29.700 0.129 0.000 0.755 2489 E HN 0.312 nan 8.360 nan 0.000 0.453 2490 I N 0.782 121.325 120.570 -0.045 0.000 2.194 2490 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 2490 I C 2.858 178.988 176.117 0.022 0.000 1.093 2490 I CA 1.349 62.587 61.300 -0.104 0.000 1.355 2490 I CB -0.287 37.598 38.000 -0.191 0.000 1.046 2490 I HN 0.099 nan 8.210 nan 0.000 0.413 2491 R N 0.588 121.084 120.500 -0.007 0.000 2.075 2491 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 2491 R C 2.335 178.608 176.300 -0.044 0.000 1.126 2491 R CA 1.178 57.276 56.100 -0.004 0.000 0.963 2491 R CB -0.209 30.075 30.300 -0.026 0.000 0.858 2491 R HN 0.202 nan 8.270 nan 0.000 0.435 2492 L N 0.499 121.660 121.223 -0.103 0.000 2.012 2492 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 2492 L C 2.261 179.068 176.870 -0.105 0.000 1.073 2492 L CA 2.231 56.971 54.840 -0.165 0.000 0.748 2492 L CB -1.017 40.828 42.059 -0.355 0.000 0.891 2492 L HN 0.153 nan 8.230 nan 0.000 0.431 2493 S N -0.832 114.844 115.700 -0.040 0.000 2.359 2493 S HA -0.265 4.205 4.470 -0.000 0.000 0.224 2493 S C 2.076 176.619 174.600 -0.096 0.000 1.035 2493 S CA 1.783 59.964 58.200 -0.031 0.000 1.018 2493 S CB -0.234 63.052 63.200 0.144 0.000 0.876 2493 S HN 0.557 nan 8.310 nan 0.000 0.448 2494 K N 0.394 120.783 120.400 -0.019 0.000 2.044 2494 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 2494 K C 2.345 178.859 176.600 -0.144 0.000 1.049 2494 K CA 1.956 58.197 56.287 -0.077 0.000 0.927 2494 K CB -0.342 32.175 32.500 0.029 0.000 0.713 2494 K HN 0.483 nan 8.250 nan 0.000 0.443 2495 M N 0.831 120.341 119.600 -0.148 0.000 2.065 2495 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 2495 M C 2.025 178.179 176.300 -0.245 0.000 1.069 2495 M CA 1.671 56.827 55.300 -0.240 0.000 1.110 2495 M CB -0.039 32.462 32.600 -0.166 0.000 1.328 2495 M HN -0.032 nan 8.290 nan 0.000 0.405 2496 V N 0.971 120.795 119.914 -0.151 0.000 2.287 2496 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 2496 V C 2.462 178.405 176.094 -0.252 0.000 1.053 2496 V CA 2.252 64.424 62.300 -0.213 0.000 1.027 2496 V CB -0.756 30.761 31.823 -0.511 0.000 0.646 2496 V HN 0.584 nan 8.190 nan 0.000 0.447 2497 M N -0.637 118.784 119.600 -0.298 0.000 2.149 2497 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 2497 M C 2.251 178.505 176.300 -0.078 0.000 1.064 2497 M CA 1.827 56.975 55.300 -0.253 0.000 1.102 2497 M CB -0.541 31.879 32.600 -0.300 0.000 1.369 2497 M HN 0.303 nan 8.290 nan 0.000 0.408 2498 K N -0.351 119.993 120.400 -0.094 0.000 2.148 2498 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 2498 K C 1.754 178.398 176.600 0.074 0.000 1.050 2498 K CA 1.153 57.402 56.287 -0.063 0.000 0.942 2498 K CB -0.131 32.261 32.500 -0.180 0.000 0.724 2498 K HN 0.261 nan 8.250 nan 0.000 0.446 2499 F N 0.011 120.060 119.950 0.165 0.000 2.060 2499 F HA -0.185 4.342 4.527 -0.000 0.000 0.295 2499 F C 2.398 178.387 175.800 0.314 0.000 1.120 2499 F CA 0.630 58.806 58.000 0.293 0.000 1.205 2499 F CB -0.195 39.127 39.000 0.536 0.000 0.986 2499 F HN 0.159 nan 8.300 nan 0.000 0.470 2500 W N 0.289 121.655 121.300 0.110 0.000 2.321 2500 W HA -0.297 4.363 4.660 -0.000 0.000 0.306 2500 W C 2.562 179.067 176.519 -0.023 0.000 1.217 2500 W CA 0.888 58.191 57.345 -0.071 0.000 1.257 2500 W CB -0.532 28.768 29.460 -0.267 0.000 1.145 2500 W HN 0.050 nan 8.180 nan 0.000 0.509 2501 A N 0.527 123.475 122.820 0.213 0.000 1.898 2501 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 2501 A C 1.737 179.396 177.584 0.125 0.000 1.181 2501 A CA 1.741 53.850 52.037 0.121 0.000 0.620 2501 A CB -1.022 18.018 19.000 0.066 0.000 0.819 2501 A HN 0.229 nan 8.150 nan 0.000 0.442 2502 N N -0.678 118.109 118.700 0.145 0.000 2.069 2502 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 2502 N C 1.438 177.001 175.510 0.087 0.000 1.031 2502 N CA 1.642 54.760 53.050 0.113 0.000 0.852 2502 N CB -0.706 37.868 38.487 0.145 0.000 1.018 2502 N HN 0.526 nan 8.380 nan 0.000 0.423 2503 F N 1.742 121.651 119.950 -0.067 0.000 2.126 2503 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 2503 F C 2.174 177.935 175.800 -0.064 0.000 1.096 2503 F CA 1.339 59.245 58.000 -0.157 0.000 1.255 2503 F CB -0.386 38.432 39.000 -0.303 0.000 0.997 2503 F HN 0.050 nan 8.300 nan 0.000 0.479 2504 A N 0.887 123.777 122.820 0.116 0.000 2.076 2504 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 2504 A C 2.214 179.802 177.584 0.006 0.000 1.160 2504 A CA 1.840 53.925 52.037 0.081 0.000 0.653 2504 A CB -0.687 18.395 19.000 0.136 0.000 0.801 2504 A HN 0.643 nan 8.150 nan 0.000 0.455 2505 R N -2.560 117.928 120.500 -0.020 0.000 2.257 2505 R HA 0.207 4.546 4.340 -0.000 0.000 0.195 2505 R C 0.660 176.919 176.300 -0.070 0.000 0.921 2505 R CA 0.613 56.699 56.100 -0.025 0.000 1.069 2505 R CB -0.105 30.201 30.300 0.011 0.000 1.115 2505 R HN 0.330 nan 8.270 nan 0.000 0.571 2506 N N 0.383 119.018 118.700 -0.109 0.000 2.332 2506 N HA 0.094 4.833 4.740 -0.000 0.000 0.190 2506 N C 0.774 176.163 175.510 -0.202 0.000 1.117 2506 N CA 1.045 54.028 53.050 -0.112 0.000 0.883 2506 N CB 1.440 39.895 38.487 -0.053 0.000 1.089 2506 N HN 0.448 nan 8.380 nan 0.000 0.480 2507 G N 1.415 109.952 108.800 -0.439 0.000 2.132 2507 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.234 2507 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.234 2507 G C -0.251 174.438 174.900 -0.350 0.000 0.989 2507 G CA 0.029 44.711 45.100 -0.696 0.000 0.676 2507 G HN 0.426 nan 8.290 nan 0.000 0.522 2508 N N -0.317 118.240 118.700 -0.238 0.000 2.478 2508 N HA 0.431 5.171 4.740 -0.000 0.000 0.291 2508 N C -1.636 173.771 175.510 -0.171 0.000 1.090 2508 N CA -1.241 51.693 53.050 -0.194 0.000 0.911 2508 N CB 2.340 40.810 38.487 -0.027 0.000 1.546 2508 N HN -0.075 nan 8.380 nan 0.000 0.500 2509 P HA -0.043 nan 4.420 nan 0.000 0.221 2509 P C -0.070 177.365 177.300 0.224 0.000 1.150 2509 P CA 0.763 63.771 63.100 -0.154 0.000 0.800 2509 P CB 0.230 31.461 31.700 -0.782 0.000 0.787 2510 N N 0.485 119.257 118.700 0.121 0.000 2.416 2510 N HA 0.319 5.059 4.740 -0.000 0.000 0.246 2510 N C 0.920 176.556 175.510 0.210 0.000 1.260 2510 N CA 1.173 54.384 53.050 0.269 0.000 0.897 2510 N CB 0.431 39.057 38.487 0.233 0.000 1.110 2510 N HN 0.190 nan 8.380 nan 0.000 0.439 2511 G N -0.363 108.560 108.800 0.205 0.000 2.349 2511 G HA2 0.142 4.102 3.960 -0.000 0.000 0.294 2511 G HA3 0.142 4.102 3.960 -0.000 0.000 0.294 2511 G C -1.485 173.471 174.900 0.093 0.000 1.380 2511 G CA -0.795 44.377 45.100 0.120 0.000 0.811 2511 G HN 0.587 nan 8.290 nan 0.000 0.519 2512 E N -0.557 119.677 120.200 0.058 0.000 2.452 2512 E HA 0.387 4.737 4.350 -0.000 0.000 0.261 2512 E C 1.071 177.679 176.600 0.014 0.000 0.987 2512 E CA 0.376 56.801 56.400 0.041 0.000 0.926 2512 E CB 0.722 30.441 29.700 0.030 0.000 0.934 2512 E HN 2.219 nan 8.360 nan 0.000 0.452 2513 G N 2.981 111.794 108.800 0.020 0.000 2.153 2513 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 2513 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 2513 G C -0.101 174.783 174.900 -0.026 0.000 0.994 2513 G CA 0.362 45.461 45.100 -0.002 0.000 0.698 2513 G HN 0.456 nan 8.290 nan 0.000 0.521 2514 L N 1.291 122.518 121.223 0.007 0.000 2.356 2514 L HA 0.459 4.799 4.340 -0.000 0.000 0.277 2514 L C -1.675 175.317 176.870 0.203 0.000 0.996 2514 L CA -2.350 52.488 54.840 -0.003 0.000 0.822 2514 L CB 1.985 43.933 42.059 -0.185 0.000 1.256 2514 L HN -0.094 nan 8.230 nan 0.000 0.413 2515 P HA -0.120 nan 4.420 nan 0.000 0.266 2515 P C -0.709 176.809 177.300 0.362 0.000 1.186 2515 P CA 0.028 63.281 63.100 0.255 0.000 0.767 2515 P CB 0.376 32.193 31.700 0.196 0.000 0.820 2516 H N 2.124 121.322 119.070 0.213 0.000 2.929 2516 H HA 0.115 4.671 4.556 -0.000 0.000 0.317 2516 H C -0.812 174.682 175.328 0.276 0.000 1.031 2516 H CA 0.161 56.354 56.048 0.241 0.000 1.466 2516 H CB 0.092 29.956 29.762 0.171 0.000 1.482 2516 H HN 0.386 nan 8.280 nan 0.000 0.561 2517 W N 10.075 131.062 121.300 -0.521 0.000 2.288 2517 W HA 0.299 4.959 4.660 -0.000 0.000 0.325 2517 W C -2.684 173.590 176.519 -0.408 0.000 1.019 2517 W CA -3.279 53.836 57.345 -0.383 0.000 1.403 2517 W CB 0.333 29.558 29.460 -0.393 0.000 1.226 2517 W HN 0.596 nan 8.180 nan 0.000 0.391 2518 P HA 0.000 nan 4.420 nan 0.000 0.270 2518 P C -0.473 177.046 177.300 0.364 0.000 1.223 2518 P CA 0.308 63.562 63.100 0.256 0.000 0.785 2518 P CB 0.970 32.820 31.700 0.251 0.000 0.923 2519 E N 0.910 121.213 120.200 0.172 0.000 2.283 2519 E HA 0.086 4.436 4.350 -0.000 0.000 0.278 2519 E C -0.919 175.654 176.600 -0.045 0.000 1.027 2519 E CA -0.775 55.514 56.400 -0.186 0.000 0.843 2519 E CB 0.262 29.818 29.700 -0.241 0.000 1.062 2519 E HN 0.364 nan 8.360 nan 0.000 0.401 2520 Y N 5.941 126.118 120.300 -0.205 0.000 2.576 2520 Y HA 0.009 4.559 4.550 -0.000 0.000 0.348 2520 Y C -0.160 175.719 175.900 -0.035 0.000 1.212 2520 Y CA 0.019 58.100 58.100 -0.031 0.000 1.683 2520 Y CB -0.646 37.814 38.460 0.000 0.000 1.484 2520 Y HN 0.529 nan 8.280 nan 0.000 0.477 2521 N N 0.923 119.515 118.700 -0.180 0.000 2.996 2521 N HA 0.028 4.768 4.740 -0.000 0.000 0.312 2521 N C 1.128 176.501 175.510 -0.228 0.000 1.362 2521 N CA 0.037 53.005 53.050 -0.137 0.000 0.714 2521 N CB -0.304 38.145 38.487 -0.064 0.000 1.171 2521 N HN 0.342 nan 8.380 nan 0.000 0.478 2522 Q N 0.171 119.895 119.800 -0.128 0.000 2.245 2522 Q HA 0.014 4.353 4.340 -0.000 0.000 0.201 2522 Q C 0.707 176.627 176.000 -0.133 0.000 0.955 2522 Q CA 1.378 57.111 55.803 -0.117 0.000 0.870 2522 Q CB -0.410 28.297 28.738 -0.052 0.000 0.945 2522 Q HN 0.596 nan 8.270 nan 0.000 0.461 2523 K N 1.119 121.451 120.400 -0.113 0.000 2.555 2523 K HA -0.018 4.302 4.320 -0.000 0.000 0.193 2523 K C -0.375 176.159 176.600 -0.111 0.000 1.032 2523 K CA 0.259 56.502 56.287 -0.073 0.000 1.004 2523 K CB 0.034 32.520 32.500 -0.023 0.000 0.804 2523 K HN 0.312 nan 8.250 nan 0.000 0.496 2524 E N 0.265 120.275 120.200 -0.316 0.000 2.199 2524 E HA -0.179 4.171 4.350 -0.000 0.000 0.208 2524 E C -0.058 176.536 176.600 -0.010 0.000 1.310 2524 E CA 0.143 56.227 56.400 -0.527 0.000 0.709 2524 E CB -1.477 28.064 29.700 -0.266 0.000 1.127 2524 E HN 0.472 nan 8.360 nan 0.000 0.354 2525 G N 1.099 109.927 108.800 0.047 0.000 2.339 2525 G HA2 0.437 4.397 3.960 -0.000 0.000 0.287 2525 G HA3 0.437 4.397 3.960 -0.000 0.000 0.287 2525 G C -0.344 174.818 174.900 0.436 0.000 1.163 2525 G CA -0.289 44.936 45.100 0.208 0.000 0.872 2525 G HN 0.310 nan 8.290 nan 0.000 0.464 2526 Y N 0.993 121.439 120.300 0.244 0.000 2.790 2526 Y HA 0.817 5.367 4.550 -0.000 0.000 0.323 2526 Y C -1.294 174.612 175.900 0.011 0.000 1.230 2526 Y CA -1.877 56.372 58.100 0.248 0.000 1.121 2526 Y CB 1.578 40.170 38.460 0.221 0.000 1.328 2526 Y HN 0.478 nan 8.280 nan 0.000 0.514 2527 L N 1.466 122.637 121.223 -0.087 0.000 2.346 2527 L HA 0.491 4.831 4.340 -0.000 0.000 0.274 2527 L C -1.091 175.690 176.870 -0.149 0.000 1.007 2527 L CA -0.608 53.932 54.840 -0.499 0.000 0.818 2527 L CB 2.166 43.378 42.059 -1.412 0.000 1.284 2527 L HN 0.772 nan 8.230 nan 0.000 0.424 2528 Q N 5.007 124.693 119.800 -0.189 0.000 2.394 2528 Q HA 0.506 4.846 4.340 -0.000 0.000 0.259 2528 Q C -1.128 174.814 176.000 -0.095 0.000 1.021 2528 Q CA -0.256 55.532 55.803 -0.025 0.000 0.805 2528 Q CB 1.743 30.466 28.738 -0.025 0.000 1.226 2528 Q HN 0.533 nan 8.270 nan 0.000 0.476 2529 I N 1.821 122.348 120.570 -0.071 0.000 2.353 2529 I HA 0.665 4.835 4.170 -0.000 0.000 0.293 2529 I C 0.726 176.657 176.117 -0.309 0.000 0.992 2529 I CA -0.139 61.076 61.300 -0.143 0.000 1.268 2529 I CB 1.357 39.331 38.000 -0.043 0.000 1.387 2529 I HN 0.754 nan 8.210 nan 0.000 0.478 2530 G N 3.253 111.873 108.800 -0.300 0.000 2.392 2530 G HA2 0.338 4.298 3.960 -0.000 0.000 0.260 2530 G HA3 0.338 4.298 3.960 -0.000 0.000 0.260 2530 G C 0.246 175.012 174.900 -0.225 0.000 1.226 2530 G CA 0.065 44.967 45.100 -0.330 0.000 0.913 2530 G HN 0.547 nan 8.290 nan 0.000 0.483 2531 A N -0.571 122.223 122.820 -0.044 0.000 1.972 2531 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 2531 A C 1.152 178.713 177.584 -0.039 0.000 1.169 2531 A CA 2.262 54.293 52.037 -0.010 0.000 0.635 2531 A CB -0.357 18.722 19.000 0.131 0.000 0.810 2531 A HN 0.822 nan 8.150 nan 0.000 0.446 2532 N N 0.154 118.831 118.700 -0.038 0.000 2.626 2532 N HA 0.249 4.989 4.740 -0.000 0.000 0.249 2532 N C -1.415 174.066 175.510 -0.049 0.000 1.021 2532 N CA -0.135 52.895 53.050 -0.033 0.000 0.886 2532 N CB 0.697 39.173 38.487 -0.018 0.000 1.149 2532 N HN -0.002 nan 8.380 nan 0.000 0.517 2533 T N 3.748 118.273 114.554 -0.048 0.000 2.992 2533 T HA 0.201 4.551 4.350 -0.000 0.000 0.299 2533 T C -0.195 174.482 174.700 -0.039 0.000 1.027 2533 T CA -0.455 61.614 62.100 -0.052 0.000 1.001 2533 T CB -0.036 68.824 68.868 -0.013 0.000 1.005 2533 T HN 0.457 nan 8.240 nan 0.000 0.599 2534 Q N 1.686 121.444 119.800 -0.071 0.000 2.413 2534 Q HA 0.735 5.075 4.340 -0.000 0.000 0.276 2534 Q C -0.807 175.110 176.000 -0.139 0.000 1.099 2534 Q CA -1.193 54.569 55.803 -0.068 0.000 0.814 2534 Q CB 1.873 30.585 28.738 -0.043 0.000 1.379 2534 Q HN 0.427 nan 8.270 nan 0.000 0.436 2535 A N 1.132 123.882 122.820 -0.117 0.000 2.448 2535 A HA 0.659 4.979 4.320 -0.000 0.000 0.239 2535 A C -0.203 177.227 177.584 -0.257 0.000 1.080 2535 A CA 0.601 52.527 52.037 -0.186 0.000 0.779 2535 A CB -0.069 18.899 19.000 -0.053 0.000 1.026 2535 A HN 1.175 nan 8.150 nan 0.000 0.499 2536 A N 0.442 122.987 122.820 -0.459 0.000 2.529 2536 A HA 0.742 5.062 4.320 -0.000 0.000 0.296 2536 A C -0.834 176.503 177.584 -0.411 0.000 1.205 2536 A CA -0.575 51.185 52.037 -0.463 0.000 0.671 2536 A CB 0.935 19.566 19.000 -0.615 0.000 1.301 2536 A HN 0.860 nan 8.150 nan 0.000 0.450 2537 Q N -0.171 119.588 119.800 -0.068 0.000 2.501 2537 Q HA 0.546 4.886 4.340 -0.000 0.000 0.288 2537 Q C -1.416 174.819 176.000 0.392 0.000 1.051 2537 Q CA -1.082 54.835 55.803 0.189 0.000 0.788 2537 Q CB 2.025 30.818 28.738 0.092 0.000 1.469 2537 Q HN 0.629 nan 8.270 nan 0.000 0.416 2538 K N 1.208 121.805 120.400 0.329 0.000 4.418 2538 K HA -0.218 4.102 4.320 -0.000 0.000 0.285 2538 K C -0.738 175.994 176.600 0.221 0.000 0.874 2538 K CA -0.015 56.414 56.287 0.237 0.000 0.844 2538 K CB -1.120 31.467 32.500 0.144 0.000 1.691 2538 K HN 0.383 nan 8.250 nan 0.000 0.433 2539 L N 2.359 123.648 121.223 0.109 0.000 2.455 2539 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 2539 L C 0.815 177.652 176.870 -0.055 0.000 1.174 2539 L CA 0.582 55.281 54.840 -0.235 0.000 0.869 2539 L CB 0.479 42.038 42.059 -0.834 0.000 1.130 2539 L HN 0.380 nan 8.230 nan 0.000 0.474 2540 K N 2.447 122.835 120.400 -0.019 0.000 3.013 2540 K HA -0.318 4.002 4.320 -0.000 0.000 0.275 2540 K C 1.077 177.734 176.600 0.095 0.000 1.086 2540 K CA 1.255 57.571 56.287 0.049 0.000 0.814 2540 K CB -1.321 31.201 32.500 0.037 0.000 1.212 2540 K HN 0.980 nan 8.250 nan 0.000 0.468 2541 D N 1.200 121.657 120.400 0.095 0.000 2.177 2541 D HA -0.194 4.446 4.640 -0.000 0.000 0.189 2541 D C 1.597 177.966 176.300 0.115 0.000 1.002 2541 D CA 2.124 56.190 54.000 0.110 0.000 0.845 2541 D CB 0.094 40.954 40.800 0.101 0.000 0.960 2541 D HN 0.471 nan 8.370 nan 0.000 0.447 2542 K N -0.279 120.178 120.400 0.095 0.000 2.020 2542 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 2542 K C 2.302 178.986 176.600 0.139 0.000 1.050 2542 K CA 1.763 58.101 56.287 0.085 0.000 0.929 2542 K CB -0.212 32.309 32.500 0.035 0.000 0.714 2542 K HN 0.213 nan 8.250 nan 0.000 0.443 2543 E N 0.523 120.831 120.200 0.181 0.000 2.058 2543 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 2543 E C 2.050 178.939 176.600 0.481 0.000 0.997 2543 E CA 1.188 57.806 56.400 0.364 0.000 0.801 2543 E CB -0.374 29.587 29.700 0.436 0.000 0.746 2543 E HN 0.027 nan 8.360 nan 0.000 0.450 2544 V N 1.399 121.511 119.914 0.329 0.000 2.231 2544 V HA -0.375 3.745 4.120 -0.000 0.000 0.250 2544 V C 2.294 178.543 176.094 0.260 0.000 1.058 2544 V CA 2.124 64.597 62.300 0.288 0.000 1.022 2544 V CB -1.150 30.784 31.823 0.185 0.000 0.640 2544 V HN 0.411 nan 8.190 nan 0.000 0.445 2545 A N -0.306 122.631 122.820 0.194 0.000 1.884 2545 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 2545 A C 2.110 179.771 177.584 0.128 0.000 1.197 2545 A CA 2.524 54.646 52.037 0.141 0.000 0.637 2545 A CB -0.863 18.205 19.000 0.114 0.000 0.827 2545 A HN 0.564 nan 8.150 nan 0.000 0.450 2546 F N -0.821 119.118 119.950 -0.018 0.000 2.025 2546 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 2546 F C 2.077 177.734 175.800 -0.238 0.000 1.132 2546 F CA 2.052 59.946 58.000 -0.176 0.000 1.191 2546 F CB -0.906 37.910 39.000 -0.307 0.000 0.963 2546 F HN 0.387 nan 8.300 nan 0.000 0.481 2547 W N 0.634 121.866 121.300 -0.112 0.000 2.335 2547 W HA -0.197 4.463 4.660 -0.000 0.000 0.311 2547 W C 2.664 179.103 176.519 -0.133 0.000 1.213 2547 W CA 2.039 59.222 57.345 -0.270 0.000 1.274 2547 W CB -1.316 28.164 29.460 0.034 0.000 1.148 2547 W HN -0.075 nan 8.180 nan 0.000 0.498 2548 T N -0.131 114.547 114.554 0.208 0.000 2.822 2548 T HA -0.269 4.081 4.350 -0.000 0.000 0.270 2548 T C 1.345 176.091 174.700 0.078 0.000 1.064 2548 T CA 1.831 64.037 62.100 0.178 0.000 1.131 2548 T CB -0.436 68.514 68.868 0.137 0.000 0.858 2548 T HN 0.202 nan 8.240 nan 0.000 0.483 2549 N N 0.392 119.055 118.700 -0.062 0.000 2.245 2549 N HA 0.035 4.775 4.740 -0.000 0.000 0.185 2549 N C 1.689 177.094 175.510 -0.175 0.000 1.036 2549 N CA 0.445 53.431 53.050 -0.108 0.000 0.857 2549 N CB -0.455 37.951 38.487 -0.134 0.000 1.015 2549 N HN 0.134 nan 8.380 nan 0.000 0.436 2550 L N 0.076 121.039 121.223 -0.434 0.000 2.051 2550 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 2550 L C 1.647 178.410 176.870 -0.180 0.000 1.076 2550 L CA 1.712 56.281 54.840 -0.452 0.000 0.758 2550 L CB -0.846 40.682 42.059 -0.885 0.000 0.890 2550 L HN 0.302 nan 8.230 nan 0.000 0.433 2551 F N -1.086 118.815 119.950 -0.082 0.000 2.407 2551 F HA -0.121 4.405 4.527 -0.000 0.000 0.299 2551 F C 2.372 178.169 175.800 -0.006 0.000 1.097 2551 F CA 0.235 58.235 58.000 0.000 0.000 1.422 2551 F CB -0.312 38.716 39.000 0.047 0.000 1.067 2551 F HN 0.256 nan 8.300 nan 0.000 0.539 2552 A N 0.193 123.108 122.820 0.158 0.000 1.883 2552 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 2552 A C 1.264 178.891 177.584 0.073 0.000 1.186 2552 A CA 1.300 53.389 52.037 0.088 0.000 0.624 2552 A CB -0.296 18.730 19.000 0.042 0.000 0.822 2552 A HN 0.236 nan 8.150 nan 0.000 0.444 2553 K N 0.000 120.436 120.400 0.060 0.000 2.780 2553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2553 K CA 0.000 56.318 56.287 0.051 0.000 0.838 2553 K CB 0.000 32.514 32.500 0.023 0.000 1.064 2553 K HN 0.000 nan 8.250 nan 0.000 0.543