============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 10 1.000 7.531 -18.739 -13.026 -99.200 -91.000 TYR 12 0.840 5.464 -9.221 -7.515 -99.200 -91.000 PHE 13 1.000 1.013 -11.757 -16.965 -99.200 -91.000 TYR 22 0.840 -8.432 -21.541 -21.583 -99.200 -91.000 TYR 30 0.840 -13.979 -23.954 5.516 -99.200 -91.000 PHE 42 1.000 3.903 -10.707 -1.087 -99.200 -91.000 PHE 43 1.000 -1.604 -3.942 -0.533 -99.200 -91.000 HIS 50 0.900 9.084 -1.714 1.170 -99.200 -91.000 TYR 60 0.840 -10.927 -6.516 2.002 -99.200 -91.000 HIS 68 0.900 -10.074 -12.729 3.984 -99.200 -91.000 TYR 71 0.840 -3.934 -15.461 10.771 -99.200 -91.000 HIS 75 0.900 0.703 -11.020 11.267 -99.200 -91.000 PHE 76 1.000 -0.657 -6.759 9.281 -99.200 -91.000 TYR 77 0.840 -5.232 -4.919 18.969 -99.200 -91.000 TRP 85 1.040 -8.000 -3.666 10.575 -99.200 -91.000 TRP6 85 1.020 -7.021 -4.866 8.795 -99.200 -91.000 HIS 92 0.900 -25.861 -7.468 7.199 -99.200 -91.000 HIS 93 0.900 -18.030 -7.070 5.884 -99.200 -91.000 PHE 109 1.000 -25.009 -4.036 -2.887 -99.200 -91.000 TYR 114 0.840 -20.261 4.751 1.663 -99.200 -91.000 HIS 123 0.900 -8.080 15.373 4.178 -99.200 -91.000 TYR 148 0.840 -11.240 -5.200 -14.102 -99.200 -91.000 TRP 167 1.040 -5.065 -7.222 -13.958 -99.200 -91.000 TRP6 167 1.020 -6.650 -6.381 -15.502 -99.200 -91.000 PHE 171 1.000 -11.855 -15.665 -19.436 -99.200 -91.000 TRP 175 1.040 -10.725 -6.241 -26.301 -99.200 -91.000 TRP6 175 1.020 -9.529 -6.416 -24.261 -99.200 -91.000 PHE 179 1.000 -9.779 -3.330 -19.178 -99.200 -91.000 TYR 180 0.840 -6.370 4.028 -20.920 -99.200 -91.000 HIS 183 0.900 3.509 1.185 -12.461 -99.200 -91.000 PHE 191 1.000 -2.544 -23.155 -1.040 -99.200 -91.000 TYR 195 0.840 -6.814 -25.657 -15.614 -99.200 -91.000 TYR 205 0.840 -2.148 4.475 -6.261 -99.200 -91.000 TYR 223 0.840 -2.751 -9.453 -18.372 -99.200 -91.000 TYR 228 0.840 -3.900 -23.968 -20.807 -99.200 -91.000 TYR 229 0.840 4.767 -22.250 -18.632 -99.200 -91.000 PHE 242 1.000 8.674 -25.528 -0.438 -99.200 -91.000 TYR 244 0.840 6.731 -25.796 4.204 -99.200 -91.000 TYR 249 0.840 4.460 -22.705 -8.404 -99.200 -91.000 TYR 251 0.840 0.592 -26.952 0.564 -99.200 -91.000 PHE 252 1.000 9.494 -22.976 -4.636 -99.200 -91.000 HIS 253 0.900 2.855 -17.961 -5.548 -99.200 -91.000 TYR 255 0.840 9.727 -21.297 2.948 -99.200 -91.000 PHE 256 1.000 10.799 -18.437 -2.344 -99.200 -91.000 TYR 262 0.840 8.579 -7.332 9.067 -99.200 -91.000 PHE 267 1.000 8.702 -18.809 14.749 -99.200 -91.000 PHE 276 1.000 3.676 -19.744 15.450 -99.200 -91.000 PHE 282 1.000 -3.067 -24.741 5.364 -99.200 -91.000 PHE 284 1.000 -9.068 -16.996 11.568 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ga9A1 MET 1 HA -0.01 -0.02 0.22 -0.75 4.52 3.96 2ga9A1 MET 1 HB2 -0.01 -0.00 0.05 -0.04 2.15 2.15 2ga9A1 MET 1 HB3 -0.01 -0.18 0.09 -0.04 2.03 1.90 2ga9A1 MET 1 HG2 -0.01 0.05 -0.21 -0.04 2.63 2.43 2ga9A1 MET 1 HG3 -0.00 0.00 -0.04 -0.04 2.56 2.48 2ga9A1 MET 1 HE3 -0.00 -0.00 0.00 -0.04 2.10 2.05 2ga9A1 ASP 2 H -0.01 0.05 0.03 -0.55 8.40 7.93 2ga9A1 ASP 2 HA -0.01 0.10 0.42 -0.75 4.63 4.39 2ga9A1 ASP 2 HB2 -0.01 0.10 -0.14 -0.04 2.71 2.61 2ga9A1 ASP 2 HB3 -0.01 -0.04 0.13 -0.04 2.70 2.74 2ga9A1 VAL 3 H -0.01 0.20 0.18 -0.55 8.24 8.05 2ga9A1 VAL 3 HA -0.02 0.08 1.01 -0.75 4.13 4.46 2ga9A1 VAL 3 HB -0.02 0.01 0.20 -0.04 2.12 2.27 2ga9A1 VAL 3 HG13 -0.01 -0.04 -0.04 -0.04 0.97 0.83 2ga9A1 VAL 3 HG23 -0.02 0.00 -0.07 -0.04 0.95 0.82 2ga9A1 VAL 4 H -0.04 0.54 0.46 -0.55 8.24 8.66 2ga9A1 VAL 4 HA -0.03 0.10 0.58 -0.75 4.13 4.03 2ga9A1 VAL 4 HB -0.03 0.16 -0.24 -0.04 2.12 1.97 2ga9A1 VAL 4 HG13 -0.05 -0.01 -0.27 -0.04 0.97 0.60 2ga9A1 VAL 4 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.88 2ga9A1 SER 5 H -0.03 0.30 0.17 -0.55 8.46 8.36 2ga9A1 SER 5 HA -0.11 -0.01 0.91 -0.75 4.49 4.53 2ga9A1 SER 5 HB2 -0.04 0.06 0.02 -0.04 3.95 3.95 2ga9A1 SER 5 HB3 -0.04 -0.01 -0.03 -0.04 3.93 3.81 2ga9A1 LEU 6 H -0.16 0.22 0.09 -0.55 8.37 7.97 2ga9A1 LEU 6 HA -0.03 0.18 0.83 -0.75 4.35 4.57 2ga9A1 LEU 6 HB2 0.03 -0.01 -0.16 -0.04 1.64 1.46 2ga9A1 LEU 6 HB3 -0.03 0.09 0.01 -0.04 1.64 1.67 2ga9A1 LEU 6 HG -0.05 -0.13 -0.56 -0.04 1.64 0.86 2ga9A1 LEU 6 HD13 0.07 0.02 -0.14 -0.04 0.93 0.84 2ga9A1 LEU 6 HD23 -0.04 0.06 -0.02 -0.04 0.89 0.85 2ga9A1 ASP 7 H -0.02 0.16 0.14 -0.55 8.40 8.13 2ga9A1 ASP 7 HA 0.08 0.11 0.56 -0.75 4.63 4.63 2ga9A1 ASP 7 HB2 -0.01 0.01 0.08 -0.04 2.71 2.74 2ga9A1 ASP 7 HB3 0.05 0.03 0.06 -0.04 2.70 2.80 2ga9A1 LYS 8 H -0.10 0.13 -0.03 -0.55 8.42 7.87 2ga9A1 LYS 8 HA -0.94 0.14 0.37 -0.75 4.32 3.13 2ga9A1 LYS 8 HB2 -0.60 0.14 0.02 -0.04 1.87 1.39 2ga9A1 LYS 8 HB3 -0.24 0.12 0.04 -0.04 1.79 1.67 2ga9A1 LYS 8 HG2 -0.07 0.03 -0.12 -0.04 1.46 1.26 2ga9A1 LYS 8 HG3 -0.07 -0.14 -0.41 -0.04 1.46 0.80 2ga9A1 LYS 8 HD2 -0.33 -0.05 -0.10 -0.04 1.69 1.18 2ga9A1 LYS 8 HD3 -0.22 0.08 -0.17 -0.04 1.68 1.32 2ga9A1 LYS 8 HE2 -0.15 0.02 -0.05 -0.04 2.99 2.77 2ga9A1 LYS 8 HE3 -0.06 0.04 -0.05 -0.04 2.99 2.88 2ga9A1 PRO 9 HA -0.32 0.08 0.54 -0.51 4.44 4.24 2ga9A1 PRO 9 HB2 -0.82 0.07 -0.09 -0.04 2.28 1.41 2ga9A1 PRO 9 HB3 -0.99 -0.00 -0.11 -0.04 2.02 0.88 2ga9A1 PRO 9 HG2 -0.71 0.04 -0.12 -0.04 2.03 1.20 2ga9A1 PRO 9 HG3 -0.94 0.12 -0.09 -0.04 2.03 1.07 2ga9A1 PRO 9 HD2 -2.61 0.13 0.14 -0.04 3.68 1.30 2ga9A1 PRO 9 HD3 -2.91 0.13 -0.06 -0.04 3.65 0.77 2ga9A1 PHE 10 H -0.05 0.12 0.03 -0.55 8.34 7.90 2ga9A1 PHE 10 HA -0.12 0.06 0.53 -0.75 4.62 4.34 2ga9A1 PHE 10 HB2 -0.09 0.01 0.10 -0.04 3.15 3.13 2ga9A1 PHE 10 HB3 -0.07 0.03 -0.06 -0.04 3.06 2.92 2ga9A1 PHE 10 HD2 -0.07 -0.01 -0.13 -0.04 7.28 7.03 2ga9A1 PHE 10 HE2 -0.05 0.07 -0.04 -0.04 7.38 7.32 2ga9A1 PHE 10 HZ 0.03 0.01 -0.02 -0.04 7.32 7.30 2ga9A1 MET 11 H -0.08 0.17 0.15 -0.55 8.47 8.17 2ga9A1 MET 11 HA -0.18 0.18 0.54 -0.75 4.52 4.31 2ga9A1 MET 11 HB2 -0.24 -0.06 0.07 -0.04 2.15 1.88 2ga9A1 MET 11 HB3 -0.62 0.03 0.01 -0.04 2.03 1.41 2ga9A1 MET 11 HG2 -0.17 0.12 -0.03 -0.04 2.63 2.50 2ga9A1 MET 11 HG3 -0.02 0.02 -0.02 -0.04 2.56 2.50 2ga9A1 MET 11 HE3 -0.34 0.01 -0.12 -0.04 2.10 1.60 2ga9A1 TYR 12 H 0.09 0.10 0.06 -0.55 8.29 7.99 2ga9A1 TYR 12 HA 0.17 0.34 0.96 -0.75 4.56 5.27 2ga9A1 TYR 12 HB2 0.12 -0.05 0.01 -0.04 3.06 3.10 2ga9A1 TYR 12 HB3 0.16 -0.08 0.02 -0.04 2.98 3.04 2ga9A1 TYR 12 HD2 0.14 -0.03 -0.28 -0.04 7.15 6.93 2ga9A1 TYR 12 HE2 0.22 0.05 -0.06 -0.04 6.85 7.01 2ga9A1 PHE 13 H 0.44 0.77 0.28 -0.55 8.34 9.28 2ga9A1 PHE 13 HA 0.10 0.06 0.34 -0.75 4.62 4.37 2ga9A1 PHE 13 HB2 0.22 0.10 0.10 -0.04 3.15 3.52 2ga9A1 PHE 13 HB3 0.22 -0.08 0.15 -0.04 3.06 3.30 2ga9A1 PHE 13 HD2 0.12 0.00 -0.12 -0.04 7.28 7.24 2ga9A1 PHE 13 HE2 -0.04 0.01 -0.01 -0.04 7.38 7.30 2ga9A1 PHE 13 HZ -0.21 0.00 -0.19 -0.04 7.32 6.88 2ga9A1 GLU 14 H 0.30 0.04 -0.19 -0.55 8.60 8.20 2ga9A1 GLU 14 HA -0.01 0.11 0.37 -0.75 4.29 4.01 2ga9A1 GLU 14 HB2 0.16 -0.01 0.08 -0.04 2.09 2.28 2ga9A1 GLU 14 HB3 0.15 -0.06 0.02 -0.04 1.99 2.05 2ga9A1 GLU 14 HG2 0.05 0.08 -0.12 -0.04 2.34 2.30 2ga9A1 GLU 14 HG3 0.06 -0.01 0.02 -0.04 2.34 2.37 2ga9A1 GLU 15 H 0.10 0.40 -0.45 -0.55 8.60 8.10 2ga9A1 GLU 15 HA 0.09 0.11 0.52 -0.75 4.29 4.24 2ga9A1 GLU 15 HB2 0.25 0.08 0.11 -0.04 2.09 2.49 2ga9A1 GLU 15 HB3 0.28 -0.02 0.03 -0.04 1.99 2.24 2ga9A1 GLU 15 HG2 0.15 0.05 -0.02 -0.04 2.34 2.48 2ga9A1 GLU 15 HG3 0.23 -0.08 -0.03 -0.04 2.34 2.42 2ga9A1 ILE 16 H -0.21 0.25 -0.10 -0.55 8.25 7.64 2ga9A1 ILE 16 HA -0.94 -0.10 0.38 -0.75 4.18 2.76 2ga9A1 ILE 16 HB -0.54 0.12 0.19 -0.04 1.89 1.61 2ga9A1 ILE 16 HG12 -0.57 -0.06 0.03 -0.04 1.49 0.85 2ga9A1 ILE 16 HG13 -0.28 -0.00 0.10 -0.04 1.21 0.98 2ga9A1 ILE 16 HG23 -0.30 -0.03 0.00 -0.04 0.93 0.56 2ga9A1 ILE 16 HD13 -0.21 0.01 -0.03 -0.04 0.88 0.60 2ga9A1 ASP 17 H -0.21 0.04 0.21 -0.55 8.40 7.90 2ga9A1 ASP 17 HA -0.13 0.24 0.85 -0.75 4.63 4.84 2ga9A1 ASP 17 HB2 -0.03 -0.05 0.25 -0.04 2.71 2.83 2ga9A1 ASP 17 HB3 0.02 0.11 0.11 -0.04 2.70 2.90 2ga9A1 ASN 18 H -0.35 0.27 -0.17 -0.55 8.53 7.74 2ga9A1 ASN 18 HA -0.33 0.13 0.59 -0.75 4.76 4.39 2ga9A1 ASN 18 HB2 -0.54 -0.02 -0.36 -0.04 2.88 1.92 2ga9A1 ASN 18 HB3 -2.29 -0.02 -0.11 -0.04 2.79 0.33 2ga9A1 ASN 18 HD21 -0.15 -0.02 0.05 -0.04 7.03 6.87 2ga9A1 ASN 18 HD22 -0.18 0.01 -0.00 -0.04 7.74 7.53 2ga9A1 GLU 19 H -0.37 0.27 0.18 -0.55 8.60 8.13 2ga9A1 GLU 19 HA -0.05 0.21 0.62 -0.75 4.29 4.32 2ga9A1 GLU 19 HB2 0.01 -0.05 -0.09 -0.04 2.09 1.91 2ga9A1 GLU 19 HB3 -0.08 0.10 -0.28 -0.04 1.99 1.69 2ga9A1 GLU 19 HG2 -0.12 -0.03 -0.11 -0.04 2.34 2.03 2ga9A1 GLU 19 HG3 -0.06 0.00 -0.22 -0.04 2.34 2.03 2ga9A1 LEU 20 H 0.16 0.46 0.20 -0.55 8.37 8.65 2ga9A1 LEU 20 HA 0.11 0.11 0.72 -0.75 4.35 4.53 2ga9A1 LEU 20 HB2 0.28 -0.08 -0.23 -0.04 1.64 1.56 2ga9A1 LEU 20 HB3 0.51 0.03 -0.21 -0.04 1.64 1.92 2ga9A1 LEU 20 HG 0.15 0.03 0.03 -0.04 1.64 1.80 2ga9A1 LEU 20 HD13 0.09 0.00 -0.09 -0.04 0.93 0.89 2ga9A1 LEU 20 HD23 0.16 0.01 0.05 -0.04 0.89 1.07 2ga9A1 ASP 21 H 0.08 0.14 0.11 -0.55 8.40 8.18 2ga9A1 ASP 21 HA 0.04 -0.00 0.56 -0.75 4.63 4.47 2ga9A1 ASP 21 HB2 0.00 -0.00 0.15 -0.04 2.71 2.82 2ga9A1 ASP 21 HB3 -0.02 0.10 0.05 -0.04 2.70 2.78 2ga9A1 TYR 22 H 0.02 0.05 0.17 -0.55 8.29 7.98 2ga9A1 TYR 22 HA -1.50 0.07 0.34 -0.75 4.56 2.72 2ga9A1 TYR 22 HB2 -0.18 0.08 0.08 -0.04 3.06 3.00 2ga9A1 TYR 22 HB3 -0.22 -0.06 0.04 -0.04 2.98 2.70 2ga9A1 TYR 22 HD2 -0.16 0.03 -0.11 -0.04 7.15 6.87 2ga9A1 TYR 22 HE2 -0.10 0.03 -0.08 -0.04 6.85 6.66 2ga9A1 GLU 23 H -1.95 0.18 0.08 -0.55 8.60 6.36 2ga9A1 GLU 23 HA -0.36 0.22 0.81 -0.75 4.29 4.21 2ga9A1 GLU 23 HB2 -0.35 -0.00 0.13 -0.04 2.09 1.83 2ga9A1 GLU 23 HB3 -0.24 -0.07 0.05 -0.04 1.99 1.69 2ga9A1 GLU 23 HG2 -0.18 0.05 -0.04 -0.04 2.34 2.14 2ga9A1 GLU 23 HG3 -0.27 0.22 -0.34 -0.04 2.34 1.91 2ga9A1 PRO 24 HA 0.02 0.05 0.33 -0.51 4.44 4.33 2ga9A1 PRO 24 HB2 -0.07 0.04 0.00 -0.04 2.28 2.21 2ga9A1 PRO 24 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 2ga9A1 PRO 24 HG2 -0.02 0.05 0.05 -0.04 2.03 2.07 2ga9A1 PRO 24 HG3 0.08 0.02 0.04 -0.04 2.03 2.13 2ga9A1 PRO 24 HD2 -0.13 0.13 0.15 -0.04 3.68 3.78 2ga9A1 PRO 24 HD3 -0.09 0.21 -0.00 -0.04 3.65 3.73 2ga9A1 GLU 25 H -0.21 0.00 -0.70 -0.55 8.60 7.14 2ga9A1 GLU 25 HA -0.10 0.09 0.43 -0.75 4.29 3.95 2ga9A1 GLU 25 HB2 -0.12 0.03 -0.05 -0.04 2.09 1.90 2ga9A1 GLU 25 HB3 -0.08 0.03 0.07 -0.04 1.99 1.97 2ga9A1 GLU 25 HG2 -0.06 0.02 -0.01 -0.04 2.34 2.25 2ga9A1 GLU 25 HG3 -0.08 -0.02 -0.05 -0.04 2.34 2.14 2ga9A1 SER 26 H -0.40 0.67 -0.13 -0.55 8.46 8.05 2ga9A1 SER 26 HA -0.35 0.09 0.26 -0.75 4.49 3.74 2ga9A1 SER 26 HB2 -1.85 0.03 0.03 -0.04 3.95 2.11 2ga9A1 SER 26 HB3 -0.40 -0.02 0.08 -0.04 3.93 3.55 2ga9A1 LYS 33 HA 0.02 -0.04 0.21 -0.75 4.32 3.76 2ga9A1 LYS 33 HB2 0.04 -0.01 0.07 -0.04 1.87 1.93 2ga9A1 LYS 33 HB3 0.08 -0.05 0.04 -0.04 1.79 1.81 2ga9A1 LYS 33 HG2 0.04 0.01 -0.15 -0.04 1.46 1.31 2ga9A1 LYS 33 HG3 0.03 -0.01 0.02 -0.04 1.46 1.46 2ga9A1 LYS 33 HD2 0.06 0.01 -0.01 -0.04 1.69 1.71 2ga9A1 LYS 33 HD3 0.09 -0.01 -0.05 -0.04 1.68 1.67 2ga9A1 LYS 33 HE2 0.05 -0.00 -0.04 -0.04 2.99 2.95 2ga9A1 LYS 33 HE3 0.04 0.00 -0.01 -0.04 2.99 2.98 2ga9A1 LEU 34 H 0.06 0.10 0.08 -0.55 8.37 8.06 2ga9A1 LEU 34 HA -0.00 0.11 0.50 -0.75 4.35 4.21 2ga9A1 LEU 34 HB2 -0.01 -0.06 0.08 -0.04 1.64 1.61 2ga9A1 LEU 34 HB3 -0.13 0.12 -0.09 -0.04 1.64 1.50 2ga9A1 LEU 34 HG 0.17 -0.05 0.01 -0.04 1.64 1.73 2ga9A1 LEU 34 HD13 -0.15 -0.00 -0.04 -0.04 0.93 0.70 2ga9A1 LEU 34 HD23 0.09 0.02 0.01 -0.04 0.89 0.96 2ga9A1 PRO 35 HA -0.27 -0.00 0.58 -0.51 4.44 4.23 2ga9A1 PRO 35 HB2 -0.56 0.08 0.06 -0.04 2.28 1.81 2ga9A1 PRO 35 HB3 -0.25 0.02 0.14 -0.04 2.02 1.89 2ga9A1 PRO 35 HG2 -0.10 0.06 0.18 -0.04 2.03 2.13 2ga9A1 PRO 35 HG3 -0.08 0.05 0.16 -0.04 2.03 2.12 2ga9A1 PRO 35 HD2 -0.06 0.06 0.24 -0.04 3.68 3.88 2ga9A1 PRO 35 HD3 -0.06 0.17 0.23 -0.04 3.65 3.95 2ga9A1 TYR 36 H -0.29 0.13 0.22 -0.55 8.29 7.80 2ga9A1 TYR 36 HA -0.06 -0.05 0.38 -0.75 4.56 4.07 2ga9A1 TYR 36 HB2 -0.14 0.32 0.19 -0.04 3.06 3.38 2ga9A1 TYR 36 HB3 -0.09 -0.15 0.23 -0.04 2.98 2.93 2ga9A1 TYR 36 HD2 -0.08 0.04 -0.09 -0.04 7.15 6.99 2ga9A1 TYR 36 HE2 -0.05 0.04 0.03 -0.04 6.85 6.83 2ga9A1 GLN 37 H -0.05 0.33 -0.20 -0.55 8.47 8.00 2ga9A1 GLN 37 HA -0.14 0.10 0.29 -0.75 4.36 3.85 2ga9A1 GLN 37 HB2 -0.03 0.13 -0.00 -0.04 2.15 2.20 2ga9A1 GLN 37 HB3 0.00 -0.01 0.03 -0.04 2.02 2.00 2ga9A1 GLN 37 HG2 0.09 0.28 0.02 -0.04 2.40 2.75 2ga9A1 GLN 37 HG3 0.03 -0.09 0.09 -0.04 2.39 2.37 2ga9A1 GLN 37 HE21 0.09 -0.03 -0.11 -0.04 6.97 6.87 2ga9A1 GLN 37 HE22 0.11 0.32 -0.31 -0.04 7.69 7.77 2ga9A1 GLY 38 H 0.01 0.04 -0.28 -0.55 8.43 7.65 2ga9A1 GLY 38 HA2 0.01 0.19 0.48 -0.51 4.01 4.18 2ga9A1 GLY 38 HA3 0.01 0.05 0.25 -0.51 4.01 3.81 2ga9A1 GLN 39 H 0.01 0.22 -0.23 -0.55 8.47 7.92 2ga9A1 GLN 39 HA -0.12 0.02 0.48 -0.75 4.36 4.00 2ga9A1 GLN 39 HB2 -0.01 0.27 0.11 -0.04 2.15 2.48 2ga9A1 GLN 39 HB3 0.03 -0.09 0.07 -0.04 2.02 1.98 2ga9A1 GLN 39 HG2 0.04 -0.06 0.02 -0.04 2.40 2.36 2ga9A1 GLN 39 HG3 0.06 -0.06 0.08 -0.04 2.39 2.43 2ga9A1 GLN 39 HE21 -0.08 0.05 0.03 -0.04 6.97 6.93 2ga9A1 GLN 39 HE22 0.03 -0.03 0.04 -0.04 7.69 7.69 2ga9A1 LEU 40 H -0.10 0.35 -0.25 -0.55 8.37 7.82 2ga9A1 LEU 40 HA -0.14 0.02 0.37 -0.75 4.35 3.85 2ga9A1 LEU 40 HB2 -0.34 0.07 0.02 -0.04 1.64 1.35 2ga9A1 LEU 40 HB3 -0.26 0.15 0.07 -0.04 1.64 1.56 2ga9A1 LEU 40 HG -0.34 0.01 -0.24 -0.04 1.64 1.03 2ga9A1 LEU 40 HD13 -0.25 -0.02 -0.05 -0.04 0.93 0.58 2ga9A1 LEU 40 HD23 -1.23 0.01 -0.08 -0.04 0.89 -0.46 2ga9A1 LYS 41 H -0.04 0.36 -0.34 -0.55 8.42 7.85 2ga9A1 LYS 41 HA 0.05 0.18 0.31 -0.75 4.32 4.11 2ga9A1 LYS 41 HB2 0.05 0.24 -0.03 -0.04 1.87 2.09 2ga9A1 LYS 41 HB3 0.00 0.01 0.09 -0.04 1.79 1.86 2ga9A1 LYS 41 HG2 0.03 -0.08 -0.28 -0.04 1.46 1.09 2ga9A1 LYS 41 HG3 0.05 0.13 -0.26 -0.04 1.46 1.34 2ga9A1 LYS 41 HD2 0.04 -0.02 -0.09 -0.04 1.69 1.58 2ga9A1 LYS 41 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.64 2ga9A1 LYS 41 HE2 0.02 0.06 -0.03 -0.04 2.99 2.99 2ga9A1 LYS 41 HE3 0.04 -0.02 -0.17 -0.04 2.99 2.80 2ga9A1 LEU 42 H -0.11 0.39 -0.23 -0.55 8.37 7.88 2ga9A1 LEU 42 HA 0.01 0.05 0.36 -0.75 4.35 4.02 2ga9A1 LEU 42 HB2 -0.64 0.01 0.09 -0.04 1.64 1.06 2ga9A1 LEU 42 HB3 -0.22 -0.04 -0.05 -0.04 1.64 1.29 2ga9A1 LEU 42 HG -0.06 0.14 0.05 -0.04 1.64 1.73 2ga9A1 LEU 42 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.81 2ga9A1 LEU 42 HD23 0.08 -0.00 -0.07 -0.04 0.89 0.87 2ga9A1 LEU 43 H -0.16 0.60 -0.17 -0.55 8.37 8.09 2ga9A1 LEU 43 HA 0.25 -0.05 0.29 -0.75 4.35 4.09 2ga9A1 LEU 43 HB2 0.08 -0.07 0.09 -0.04 1.64 1.70 2ga9A1 LEU 43 HB3 -0.05 0.11 0.18 -0.04 1.64 1.84 2ga9A1 LEU 43 HG -0.15 0.03 -0.10 -0.04 1.64 1.38 2ga9A1 LEU 43 HD13 -0.06 -0.01 -0.18 -0.04 0.93 0.63 2ga9A1 LEU 43 HD23 -0.27 -0.00 -0.02 -0.04 0.89 0.56 2ga9A1 LEU 44 H -0.00 0.65 -0.18 -0.55 8.37 8.29 2ga9A1 LEU 44 HA 0.05 -0.00 0.34 -0.75 4.35 3.98 2ga9A1 LEU 44 HB2 0.02 0.16 0.11 -0.04 1.64 1.89 2ga9A1 LEU 44 HB3 -0.02 -0.05 -0.02 -0.04 1.64 1.51 2ga9A1 LEU 44 HG -0.02 0.13 0.04 -0.04 1.64 1.75 2ga9A1 LEU 44 HD13 0.13 -0.01 -0.08 -0.04 0.93 0.94 2ga9A1 LEU 44 HD23 0.01 -0.02 -0.04 -0.04 0.89 0.79 2ga9A1 GLY 45 H 0.06 0.53 -0.14 -0.55 8.43 8.33 2ga9A1 GLY 45 HA2 0.14 0.04 0.37 -0.51 4.01 4.04 2ga9A1 GLY 45 HA3 0.11 0.08 0.27 -0.51 4.01 3.96 2ga9A1 GLU 46 H 0.21 0.70 -0.17 -0.55 8.60 8.79 2ga9A1 GLU 46 HA 0.34 0.02 0.52 -0.75 4.29 4.42 2ga9A1 GLU 46 HB2 0.35 0.13 0.05 -0.04 2.09 2.59 2ga9A1 GLU 46 HB3 0.42 -0.06 -0.08 -0.04 1.99 2.23 2ga9A1 GLU 46 HG2 0.23 -0.03 -0.06 -0.04 2.34 2.43 2ga9A1 GLU 46 HG3 0.22 -0.00 -0.07 -0.04 2.34 2.44 2ga9A1 LEU 47 H 0.25 0.70 -0.07 -0.55 8.37 8.70 2ga9A1 LEU 47 HA 0.35 -0.03 0.36 -0.75 4.35 4.27 2ga9A1 LEU 47 HB2 0.14 0.35 0.17 -0.04 1.64 2.25 2ga9A1 LEU 47 HB3 0.14 0.05 -0.03 -0.04 1.64 1.76 2ga9A1 LEU 47 HG 0.04 -0.05 -0.02 -0.04 1.64 1.56 2ga9A1 LEU 47 HD13 -0.06 -0.00 -0.08 -0.04 0.93 0.74 2ga9A1 LEU 47 HD23 -0.23 -0.01 -0.00 -0.04 0.89 0.60 2ga9A1 PHE 48 H 0.34 0.56 -0.30 -0.55 8.34 8.39 2ga9A1 PHE 48 HA 0.11 0.05 0.34 -0.75 4.62 4.37 2ga9A1 PHE 48 HB2 0.07 0.04 0.07 -0.04 3.15 3.28 2ga9A1 PHE 48 HB3 0.13 0.13 0.14 -0.04 3.06 3.42 2ga9A1 PHE 48 HD2 0.11 0.07 0.00 -0.04 7.28 7.42 2ga9A1 PHE 48 HE2 0.14 0.01 0.01 -0.04 7.38 7.50 2ga9A1 PHE 48 HZ 0.14 -0.05 -0.02 -0.04 7.32 7.35 2ga9A1 PHE 49 H 0.44 0.53 -0.11 -0.55 8.34 8.65 2ga9A1 PHE 49 HA -0.03 0.01 0.40 -0.75 4.62 4.24 2ga9A1 PHE 49 HB2 0.16 0.04 0.11 -0.04 3.15 3.42 2ga9A1 PHE 49 HB3 0.14 0.03 0.18 -0.04 3.06 3.37 2ga9A1 PHE 49 HD2 0.06 -0.01 -0.08 -0.04 7.28 7.21 2ga9A1 PHE 49 HE2 -0.01 0.01 -0.17 -0.04 7.38 7.17 2ga9A1 PHE 49 HZ 0.01 -0.03 -0.40 -0.04 7.32 6.85 2ga9A1 LEU 50 H 0.25 0.83 -0.07 -0.55 8.37 8.84 2ga9A1 LEU 50 HA -0.35 0.00 0.39 -0.75 4.35 3.64 2ga9A1 LEU 50 HB2 0.38 0.18 0.09 -0.04 1.64 2.24 2ga9A1 LEU 50 HB3 -0.30 -0.03 -0.09 -0.04 1.64 1.17 2ga9A1 LEU 50 HG -0.15 -0.01 -0.08 -0.04 1.64 1.36 2ga9A1 LEU 50 HD13 -0.11 -0.02 -0.12 -0.04 0.93 0.64 2ga9A1 LEU 50 HD23 0.46 0.01 -0.10 -0.04 0.89 1.22 2ga9A1 SER 51 H 0.20 0.59 -0.28 -0.55 8.46 8.43 2ga9A1 SER 51 HA 0.38 -0.03 0.45 -0.75 4.49 4.54 2ga9A1 SER 51 HB2 0.07 0.15 0.12 -0.04 3.95 4.24 2ga9A1 SER 51 HB3 0.11 0.05 -0.02 -0.04 3.93 4.03 2ga9A1 LYS 52 H -0.14 0.52 -0.22 -0.55 8.42 8.03 2ga9A1 LYS 52 HA 0.00 0.04 0.45 -0.75 4.32 4.06 2ga9A1 LYS 52 HB2 -0.33 0.05 0.12 -0.04 1.87 1.67 2ga9A1 LYS 52 HB3 -0.20 0.20 0.15 -0.04 1.79 1.90 2ga9A1 LYS 52 HG2 -0.01 -0.03 -0.24 -0.04 1.46 1.14 2ga9A1 LYS 52 HG3 0.08 -0.04 0.03 -0.04 1.46 1.49 2ga9A1 LYS 52 HD2 0.00 0.01 -0.05 -0.04 1.69 1.62 2ga9A1 LYS 52 HD3 -0.04 -0.05 -0.05 -0.04 1.68 1.50 2ga9A1 LYS 52 HE2 -0.26 0.08 -0.02 -0.04 2.99 2.74 2ga9A1 LYS 52 HE3 0.16 -0.06 -0.03 -0.04 2.99 3.02 2ga9A1 LEU 53 H -0.23 0.41 -0.26 -0.55 8.37 7.74 2ga9A1 LEU 53 HA -0.09 0.05 0.41 -0.75 4.35 3.97 2ga9A1 LEU 53 HB2 -0.32 0.14 0.06 -0.04 1.64 1.48 2ga9A1 LEU 53 HB3 -0.23 -0.09 -0.08 -0.04 1.64 1.21 2ga9A1 LEU 53 HG -0.89 0.36 0.01 -0.04 1.64 1.09 2ga9A1 LEU 53 HD13 -0.62 -0.01 -0.16 -0.04 0.93 0.10 2ga9A1 LEU 53 HD23 -0.27 -0.02 -0.12 -0.04 0.89 0.44 2ga9A1 GLN 54 H -0.03 0.51 -0.23 -0.55 8.47 8.16 2ga9A1 GLN 54 HA -0.07 -0.11 0.44 -0.75 4.36 3.86 2ga9A1 GLN 54 HB2 0.04 0.00 0.09 -0.04 2.15 2.24 2ga9A1 GLN 54 HB3 0.21 0.17 0.23 -0.04 2.02 2.59 2ga9A1 GLN 54 HG2 -0.08 0.03 -0.24 -0.04 2.40 2.07 2ga9A1 GLN 54 HG3 -0.01 -0.05 -0.01 -0.04 2.39 2.28 2ga9A1 GLN 54 HE21 0.06 -0.02 -0.04 -0.04 6.97 6.92 2ga9A1 GLN 54 HE22 -0.12 0.02 -0.05 -0.04 7.69 7.49 2ga9A1 ARG 55 H 0.11 0.65 -0.09 -0.55 8.46 8.58 2ga9A1 ARG 55 HA 0.05 0.01 0.39 -0.75 4.34 4.03 2ga9A1 ARG 55 HB2 0.22 0.08 0.16 -0.04 1.90 2.32 2ga9A1 ARG 55 HB3 0.02 0.13 0.23 -0.04 1.80 2.14 2ga9A1 ARG 55 HG2 -0.55 -0.02 -0.22 -0.04 1.67 0.84 2ga9A1 ARG 55 HG3 0.01 -0.05 0.04 -0.04 1.67 1.63 2ga9A1 ARG 55 HD2 -0.02 -0.01 0.03 -0.04 3.22 3.17 2ga9A1 ARG 55 HD3 -0.07 -0.07 -0.00 -0.04 3.22 3.04 2ga9A1 HIS 56 H 0.08 0.44 -0.23 -0.55 8.41 8.15 2ga9A1 HIS 56 HA -0.01 0.12 0.68 -0.75 4.63 4.68 2ga9A1 HIS 56 HB2 -0.04 0.04 0.11 -0.04 3.26 3.33 2ga9A1 HIS 56 HB3 -0.02 -0.04 0.18 -0.04 3.20 3.27 2ga9A1 HIS 56 HD2 0.00 -0.02 0.03 -0.04 6.97 6.94 2ga9A1 HIS 56 HE1 0.01 -0.03 -0.01 -0.04 7.75 7.68 2ga9A1 GLY 57 H -0.02 0.39 -0.68 -0.55 8.43 7.57 2ga9A1 GLY 57 HA2 -0.05 0.02 0.34 -0.51 4.01 3.81 2ga9A1 GLY 57 HA3 -0.02 0.03 0.34 -0.51 4.01 3.85 2ga9A1 ILE 58 H -0.03 0.41 -0.09 -0.55 8.25 7.99 2ga9A1 ILE 58 HA -0.05 0.26 0.91 -0.75 4.18 4.55 2ga9A1 ILE 58 HB -0.04 -0.00 0.05 -0.04 1.89 1.86 2ga9A1 ILE 58 HG12 -0.12 -0.08 -0.11 -0.04 1.49 1.13 2ga9A1 ILE 58 HG13 -0.11 0.01 -0.58 -0.04 1.21 0.49 2ga9A1 ILE 58 HG23 -0.02 0.02 -0.08 -0.04 0.93 0.81 2ga9A1 ILE 58 HD13 -0.06 -0.02 -0.15 -0.04 0.88 0.61 2ga9A1 LEU 59 H -0.11 0.32 -0.24 -0.55 8.37 7.79 2ga9A1 LEU 59 HA -0.20 0.07 0.30 -0.75 4.35 3.76 2ga9A1 LEU 59 HB2 -0.24 -0.06 -0.24 -0.04 1.64 1.06 2ga9A1 LEU 59 HB3 -0.18 -0.01 -0.13 -0.04 1.64 1.28 2ga9A1 LEU 59 HG -0.34 0.01 -0.23 -0.04 1.64 1.04 2ga9A1 LEU 59 HD13 -0.42 -0.01 -0.06 -0.04 0.93 0.40 2ga9A1 LEU 59 HD23 -0.76 0.03 -0.10 -0.04 0.89 0.02 2ga9A1 ASP 60 H -0.10 0.07 -0.36 -0.55 8.40 7.45 2ga9A1 ASP 60 HA -0.10 -0.05 0.38 -0.75 4.63 4.10 2ga9A1 ASP 60 HB2 -0.08 -0.03 0.07 -0.04 2.71 2.64 2ga9A1 ASP 60 HB3 -0.07 0.15 0.05 -0.04 2.70 2.78 2ga9A1 GLY 61 H -0.10 0.37 0.37 -0.55 8.43 8.53 2ga9A1 GLY 61 HA2 -0.08 -0.05 0.33 -0.51 4.01 3.70 2ga9A1 GLY 61 HA3 -0.07 -0.00 0.54 -0.51 4.01 3.96 2ga9A1 ALA 62 H -0.15 0.50 -0.04 -0.55 8.40 8.15 2ga9A1 ALA 62 HA -0.10 0.16 0.67 -0.75 4.34 4.31 2ga9A1 ALA 62 HB3 -0.15 0.02 -0.04 -0.04 1.41 1.19 2ga9A1 THR 63 H -0.10 0.76 0.35 -0.55 8.28 8.74 2ga9A1 THR 63 HA -0.15 0.20 1.08 -0.75 4.39 4.76 2ga9A1 THR 63 HB -0.05 0.04 0.12 -0.04 4.32 4.39 2ga9A1 THR 63 HG23 -0.02 -0.03 -0.24 -0.04 1.22 0.90 2ga9A1 VAL 64 H -0.30 0.64 0.29 -0.55 8.24 8.32 2ga9A1 VAL 64 HA -0.10 0.22 0.89 -0.75 4.13 4.39 2ga9A1 VAL 64 HB -0.59 -0.05 0.17 -0.04 2.12 1.61 2ga9A1 VAL 64 HG13 0.05 -0.02 -0.18 -0.04 0.97 0.78 2ga9A1 VAL 64 HG23 -0.58 0.01 -0.12 -0.04 0.95 0.22 2ga9A1 VAL 65 H 0.03 0.83 0.39 -0.55 8.24 8.94 2ga9A1 VAL 65 HA 0.12 0.18 0.94 -0.75 4.13 4.61 2ga9A1 VAL 65 HB 0.05 -0.04 0.16 -0.04 2.12 2.25 2ga9A1 VAL 65 HG13 0.08 -0.03 -0.12 -0.04 0.97 0.86 2ga9A1 VAL 65 HG23 0.02 0.04 -0.11 -0.04 0.95 0.86 2ga9A1 TYR 66 H 0.29 0.77 0.37 -0.55 8.29 9.17 2ga9A1 TYR 66 HA 0.14 0.28 1.07 -0.75 4.56 5.30 2ga9A1 TYR 66 HB2 0.24 0.04 -0.04 -0.04 3.06 3.25 2ga9A1 TYR 66 HB3 0.17 -0.14 0.20 -0.04 2.98 3.17 2ga9A1 TYR 66 HD2 0.23 0.02 -0.30 -0.04 7.15 7.07 2ga9A1 TYR 66 HE2 0.22 0.02 -0.23 -0.04 6.85 6.82 2ga9A1 ILE 67 H 0.22 0.63 0.38 -0.55 8.25 8.93 2ga9A1 ILE 67 HA 0.21 0.22 1.05 -0.75 4.18 4.91 2ga9A1 ILE 67 HB 0.14 -0.06 0.21 -0.04 1.89 2.13 2ga9A1 ILE 67 HG12 0.14 0.06 -0.10 -0.04 1.49 1.54 2ga9A1 ILE 67 HG13 0.11 -0.00 -0.02 -0.04 1.21 1.25 2ga9A1 ILE 67 HG23 0.13 -0.01 -0.03 -0.04 0.93 0.98 2ga9A1 ILE 67 HD13 0.15 0.01 -0.10 -0.04 0.88 0.90 2ga9A1 GLY 68 H 0.15 0.67 0.48 -0.55 8.43 9.17 2ga9A1 GLY 68 HA2 0.07 -0.09 0.43 -0.51 4.01 3.91 2ga9A1 GLY 68 HA3 0.14 0.04 0.49 -0.51 4.01 4.17 2ga9A1 SER 69 H 0.14 0.25 -0.05 -0.55 8.46 8.25 2ga9A1 SER 69 HA -0.13 0.21 0.49 -0.75 4.49 4.30 2ga9A1 SER 69 HB2 -0.43 -0.03 -0.04 -0.04 3.95 3.41 2ga9A1 SER 69 HB3 -0.92 0.02 -0.14 -0.04 3.93 2.85 2ga9A1 ALA 70 H -0.21 -0.00 -0.25 -0.55 8.40 7.38 2ga9A1 ALA 70 HA -0.34 0.02 0.20 -0.75 4.34 3.46 2ga9A1 ALA 70 HB3 -0.54 0.08 -0.23 -0.04 1.41 0.68 2ga9A1 PRO 71 HA -0.11 0.20 0.44 -0.51 4.44 4.45 2ga9A1 PRO 71 HB2 0.00 -0.06 0.05 -0.04 2.28 2.23 2ga9A1 PRO 71 HB3 -0.02 0.13 0.09 -0.04 2.02 2.18 2ga9A1 PRO 71 HG2 0.03 -0.14 0.11 -0.04 2.03 1.99 2ga9A1 PRO 71 HG3 0.01 0.08 0.09 -0.04 2.03 2.18 2ga9A1 PRO 71 HD2 0.02 0.16 0.43 -0.04 3.68 4.25 2ga9A1 PRO 71 HD3 -0.01 0.12 0.10 -0.04 3.65 3.81 2ga9A1 GLY 72 H 0.05 0.22 -0.05 -0.55 8.43 8.10 2ga9A1 GLY 72 HA2 -0.02 0.04 0.33 -0.51 4.01 3.85 2ga9A1 GLY 72 HA3 -0.01 0.16 0.36 -0.51 4.01 4.01 2ga9A1 THR 73 H 0.06 0.09 -0.14 -0.55 8.28 7.74 2ga9A1 THR 73 HA 0.03 0.10 0.35 -0.75 4.39 4.11 2ga9A1 THR 73 HB 0.05 -0.04 0.09 -0.04 4.32 4.38 2ga9A1 THR 73 HG23 -0.05 0.03 -0.08 -0.04 1.22 1.08 2ga9A1 HIS 74 H 0.30 0.07 -0.14 -0.55 8.41 8.09 2ga9A1 HIS 74 HA 0.26 0.13 0.32 -0.75 4.63 4.58 2ga9A1 HIS 74 HB2 0.05 0.05 0.05 -0.04 3.26 3.37 2ga9A1 HIS 74 HB3 0.06 0.00 0.09 -0.04 3.20 3.32 2ga9A1 HIS 74 HD2 0.14 0.02 -0.32 -0.04 6.97 6.76 2ga9A1 HIS 74 HE1 0.06 0.08 -0.06 -0.04 7.75 7.79 2ga9A1 ILE 75 H -0.59 0.25 -0.53 -0.55 8.25 6.84 2ga9A1 ILE 75 HA -0.29 0.00 0.35 -0.75 4.18 3.50 2ga9A1 ILE 75 HB -0.32 0.24 0.06 -0.04 1.89 1.83 2ga9A1 ILE 75 HG12 -0.24 -0.00 -0.04 -0.04 1.49 1.16 2ga9A1 ILE 75 HG13 -0.99 -0.15 -0.02 -0.04 1.21 0.01 2ga9A1 ILE 75 HG23 -0.40 -0.01 -0.06 -0.04 0.93 0.42 2ga9A1 ILE 75 HD13 -0.53 0.02 -0.01 -0.04 0.88 0.31 2ga9A1 ARG 76 H -0.10 0.53 -0.28 -0.55 8.46 8.06 2ga9A1 ARG 76 HA -0.25 0.07 0.40 -0.75 4.34 3.81 2ga9A1 ARG 76 HB2 -0.03 -0.01 -0.04 -0.04 1.90 1.77 2ga9A1 ARG 76 HB3 0.18 0.12 0.06 -0.04 1.80 2.12 2ga9A1 ARG 76 HG2 0.07 0.01 -0.04 -0.04 1.67 1.67 2ga9A1 ARG 76 HG3 0.02 -0.03 -0.19 -0.04 1.67 1.43 2ga9A1 ARG 76 HD2 -0.17 -0.10 0.15 -0.04 3.22 3.05 2ga9A1 ARG 76 HD3 -0.10 0.18 0.03 -0.04 3.22 3.28 2ga9A1 TYR 77 H -0.23 0.35 -0.30 -0.55 8.29 7.56 2ga9A1 TYR 77 HA -0.60 0.08 0.50 -0.75 4.56 3.79 2ga9A1 TYR 77 HB2 -1.77 -0.00 0.07 -0.04 3.06 1.32 2ga9A1 TYR 77 HB3 -0.41 0.15 0.14 -0.04 2.98 2.82 2ga9A1 TYR 77 HD2 -0.49 0.01 -0.19 -0.04 7.15 6.43 2ga9A1 TYR 77 HE2 -0.16 0.04 -0.16 -0.04 6.85 6.54 2ga9A1 LEU 78 H -0.02 0.31 -0.07 -0.55 8.37 8.04 2ga9A1 LEU 78 HA 0.14 0.04 0.38 -0.75 4.35 4.16 2ga9A1 LEU 78 HB2 -0.06 0.10 0.08 -0.04 1.64 1.73 2ga9A1 LEU 78 HB3 0.56 0.00 -0.05 -0.04 1.64 2.11 2ga9A1 LEU 78 HG 0.17 0.10 -0.01 -0.04 1.64 1.86 2ga9A1 LEU 78 HD13 0.39 -0.01 -0.12 -0.04 0.93 1.15 2ga9A1 LEU 78 HD23 0.30 0.02 -0.05 -0.04 0.89 1.13 2ga9A1 ARG 79 H -0.37 0.56 -0.21 -0.55 8.46 7.89 2ga9A1 ARG 79 HA 0.11 0.02 0.34 -0.75 4.34 4.06 2ga9A1 ARG 79 HB2 -1.16 0.03 0.06 -0.04 1.90 0.78 2ga9A1 ARG 79 HB3 -0.40 0.09 0.09 -0.04 1.80 1.53 2ga9A1 ARG 79 HG2 -0.08 -0.02 -0.01 -0.04 1.67 1.51 2ga9A1 ARG 79 HG3 -0.48 -0.01 -0.07 -0.04 1.67 1.06 2ga9A1 ARG 79 HD2 -0.21 0.05 -0.12 -0.04 3.22 2.90 2ga9A1 ARG 79 HD3 -0.10 0.01 -0.75 -0.04 3.22 2.33 2ga9A1 ASP 80 H -0.19 0.40 -0.30 -0.55 8.40 7.76 2ga9A1 ASP 80 HA -0.02 0.04 0.52 -0.75 4.63 4.41 2ga9A1 ASP 80 HB2 -0.28 0.09 0.13 -0.04 2.71 2.60 2ga9A1 ASP 80 HB3 -0.13 -0.06 0.02 -0.04 2.70 2.49 2ga9A1 HIS 81 H -0.15 0.55 -0.14 -0.55 8.41 8.12 2ga9A1 HIS 81 HA -0.21 -0.00 0.39 -0.75 4.63 4.06 2ga9A1 HIS 81 HB2 -0.45 0.02 0.11 -0.04 3.26 2.90 2ga9A1 HIS 81 HB3 -0.38 0.12 0.23 -0.04 3.20 3.14 2ga9A1 HIS 81 HD2 -1.97 -0.02 -0.08 -0.04 6.97 4.85 2ga9A1 HIS 81 HE1 0.01 0.24 0.05 -0.04 7.75 8.00 2ga9A1 PHE 82 H 0.12 0.55 -0.06 -0.55 8.34 8.41 2ga9A1 PHE 82 HA -0.07 0.03 0.42 -0.75 4.62 4.25 2ga9A1 PHE 82 HB2 0.35 0.09 0.03 -0.04 3.15 3.58 2ga9A1 PHE 82 HB3 0.13 -0.00 -0.05 -0.04 3.06 3.09 2ga9A1 PHE 82 HD2 0.32 0.05 -0.07 -0.04 7.28 7.54 2ga9A1 PHE 82 HE2 0.30 -0.03 -0.09 -0.04 7.38 7.51 2ga9A1 PHE 82 HZ 0.23 0.01 -0.14 -0.04 7.32 7.37 2ga9A1 TYR 83 H 0.33 0.39 -0.31 -0.55 8.29 8.15 2ga9A1 TYR 83 HA 0.12 0.10 0.43 -0.75 4.56 4.45 2ga9A1 TYR 83 HB2 0.12 0.28 0.23 -0.04 3.06 3.66 2ga9A1 TYR 83 HB3 0.03 0.02 0.18 -0.04 2.98 3.18 2ga9A1 TYR 83 HD2 0.07 0.03 -0.10 -0.04 7.15 7.12 2ga9A1 TYR 83 HE2 0.04 -0.04 -0.00 -0.04 6.85 6.81 2ga9A1 ASN 84 H 0.11 0.66 -0.19 -0.55 8.53 8.56 2ga9A1 ASN 84 HA 0.08 0.02 0.48 -0.75 4.76 4.59 2ga9A1 ASN 84 HB2 -0.03 0.16 0.14 -0.04 2.88 3.12 2ga9A1 ASN 84 HB3 0.01 -0.11 0.08 -0.04 2.79 2.74 2ga9A1 ASN 84 HD21 0.00 -0.09 -0.01 -0.04 7.03 6.90 2ga9A1 ASN 84 HD22 -0.01 -0.02 -0.04 -0.04 7.74 7.62 2ga9A1 LEU 85 H -0.04 0.30 -0.43 -0.55 8.37 7.66 2ga9A1 LEU 85 HA -0.05 0.04 0.65 -0.75 4.35 4.24 2ga9A1 LEU 85 HB2 -0.03 0.06 0.11 -0.04 1.64 1.74 2ga9A1 LEU 85 HB3 -0.03 -0.05 0.07 -0.04 1.64 1.59 2ga9A1 LEU 85 HG -0.34 0.15 -0.03 -0.04 1.64 1.38 2ga9A1 LEU 85 HD13 -0.16 0.03 -0.10 -0.04 0.93 0.66 2ga9A1 LEU 85 HD23 -0.03 -0.03 -0.12 -0.04 0.89 0.67 2ga9A1 GLY 86 H -0.06 0.36 -0.53 -0.55 8.43 7.65 2ga9A1 GLY 86 HA2 -0.14 0.06 0.27 -0.51 4.01 3.68 2ga9A1 GLY 86 HA3 -0.07 0.01 0.41 -0.51 4.01 3.84 2ga9A1 VAL 87 H 0.01 0.50 -0.12 -0.55 8.24 8.08 2ga9A1 VAL 87 HA -0.04 0.07 0.61 -0.75 4.13 4.02 2ga9A1 VAL 87 HB 0.11 -0.05 -0.07 -0.04 2.12 2.07 2ga9A1 VAL 87 HG13 -0.10 0.01 -0.23 -0.04 0.97 0.61 2ga9A1 VAL 87 HG23 0.11 0.01 -0.10 -0.04 0.95 0.92 2ga9A1 ILE 88 H -0.07 0.12 0.16 -0.55 8.25 7.91 2ga9A1 ILE 88 HA -0.06 0.10 0.61 -0.75 4.18 4.08 2ga9A1 ILE 88 HB -0.06 -0.07 0.20 -0.04 1.89 1.91 2ga9A1 ILE 88 HG12 -0.08 0.01 -0.03 -0.04 1.49 1.35 2ga9A1 ILE 88 HG13 -0.08 0.09 -0.03 -0.04 1.21 1.15 2ga9A1 ILE 88 HG23 -0.04 0.01 -0.13 -0.04 0.93 0.73 2ga9A1 ILE 88 HD13 -0.05 -0.01 0.02 -0.04 0.88 0.80 2ga9A1 ILE 89 H 0.01 0.25 0.22 -0.55 8.25 8.18 2ga9A1 ILE 89 HA -0.19 0.32 0.85 -0.75 4.18 4.40 2ga9A1 ILE 89 HB -0.10 -0.05 -0.08 -0.04 1.89 1.63 2ga9A1 ILE 89 HG12 -0.31 0.16 -0.19 -0.04 1.49 1.10 2ga9A1 ILE 89 HG13 -0.11 -0.09 -1.01 -0.04 1.21 -0.04 2ga9A1 ILE 89 HG23 -1.04 -0.00 -0.21 -0.04 0.93 -0.37 2ga9A1 ILE 89 HD13 -0.27 -0.03 -0.18 -0.04 0.88 0.35 2ga9A1 LYS 90 H -0.23 0.67 0.34 -0.55 8.42 8.65 2ga9A1 LYS 90 HA 0.06 0.21 1.00 -0.75 4.32 4.83 2ga9A1 LYS 90 HB2 -0.01 0.00 -0.00 -0.04 1.87 1.82 2ga9A1 LYS 90 HB3 -0.06 0.01 0.16 -0.04 1.79 1.86 2ga9A1 LYS 90 HG2 0.01 -0.01 -0.06 -0.04 1.46 1.36 2ga9A1 LYS 90 HG3 0.02 -0.07 -0.29 -0.04 1.46 1.07 2ga9A1 LYS 90 HD2 0.11 0.17 0.15 -0.04 1.69 2.07 2ga9A1 LYS 90 HD3 0.06 -0.03 0.01 -0.04 1.68 1.68 2ga9A1 LYS 90 HE2 0.05 -0.05 -0.10 -0.04 2.99 2.85 2ga9A1 LYS 90 HE3 0.08 0.03 -0.20 -0.04 2.99 2.87 2ga9A1 TRP 91 H 0.34 0.75 0.35 -0.55 7.97 8.86 2ga9A1 TRP 91 HA 0.05 0.18 1.03 -0.75 4.62 5.13 2ga9A1 TRP 91 HB2 0.03 -0.02 0.21 -0.04 3.23 3.40 2ga9A1 TRP 91 HB3 0.05 -0.05 0.01 -0.04 3.23 3.19 2ga9A1 TRP 91 HD1 0.07 0.17 -0.08 -0.04 7.22 7.33 2ga9A1 TRP 91 HE1 0.14 0.06 -0.07 -0.04 10.20 10.28 2ga9A1 TRP 91 HE3 0.14 0.01 -0.06 -0.04 7.59 7.64 2ga9A1 TRP 91 HZ2 0.29 0.05 -0.22 -0.04 7.44 7.52 2ga9A1 TRP 91 HZ3 0.22 -0.04 -0.10 -0.04 7.13 7.17 2ga9A1 TRP 91 HH2 0.26 -0.03 -0.17 -0.04 7.19 7.21 2ga9A1 MET 92 H 0.20 0.82 0.32 -0.55 8.47 9.27 2ga9A1 MET 92 HA 0.12 0.17 1.03 -0.75 4.52 5.08 2ga9A1 MET 92 HB2 0.08 0.04 -0.13 -0.04 2.15 2.10 2ga9A1 MET 92 HB3 0.10 -0.05 0.16 -0.04 2.03 2.19 2ga9A1 MET 92 HG2 0.11 -0.06 -0.23 -0.04 2.63 2.40 2ga9A1 MET 92 HG3 0.08 0.03 -0.04 -0.04 2.56 2.59 2ga9A1 MET 92 HE3 0.11 -0.02 -0.12 -0.04 2.10 2.03 2ga9A1 LEU 93 H 0.04 0.68 0.23 -0.55 8.37 8.77 2ga9A1 LEU 93 HA 0.12 0.12 0.93 -0.75 4.35 4.77 2ga9A1 LEU 93 HB2 -0.44 -0.02 0.14 -0.04 1.64 1.27 2ga9A1 LEU 93 HB3 -0.42 -0.06 -0.01 -0.04 1.64 1.11 2ga9A1 LEU 93 HG -0.01 0.07 -0.13 -0.04 1.64 1.53 2ga9A1 LEU 93 HD13 -0.27 -0.00 -0.10 -0.04 0.93 0.52 2ga9A1 LEU 93 HD23 0.21 -0.01 -0.24 -0.04 0.89 0.81 2ga9A1 ILE 94 H 0.18 0.84 0.46 -0.55 8.25 9.18 2ga9A1 ILE 94 HA 0.12 0.37 1.18 -0.75 4.18 5.09 2ga9A1 ILE 94 HB 0.17 -0.07 0.12 -0.04 1.89 2.08 2ga9A1 ILE 94 HG12 0.18 0.03 -0.24 -0.04 1.49 1.42 2ga9A1 ILE 94 HG13 0.15 -0.00 -0.50 -0.04 1.21 0.81 2ga9A1 ILE 94 HG23 0.13 -0.02 -0.15 -0.04 0.93 0.85 2ga9A1 ILE 94 HD13 0.22 -0.01 -0.15 -0.04 0.88 0.90 2ga9A1 ASP 95 H 0.02 0.69 0.41 -0.55 8.40 8.97 2ga9A1 ASP 95 HA -0.07 -0.03 0.73 -0.75 4.63 4.51 2ga9A1 ASP 95 HB2 -0.05 -0.10 -0.27 -0.04 2.71 2.24 2ga9A1 ASP 95 HB3 -0.27 0.41 0.02 -0.04 2.70 2.83 2ga9A1 GLY 96 H -0.39 0.11 0.17 -0.55 8.43 7.78 2ga9A1 GLY 96 HA2 -1.19 -0.04 0.12 -0.51 4.01 2.39 2ga9A1 GLY 96 HA3 -2.47 0.02 0.25 -0.51 4.01 1.30 2ga9A1 ARG 97 H -0.32 -0.03 -0.34 -0.55 8.46 7.21 2ga9A1 ARG 97 HA -0.31 0.21 0.84 -0.75 4.34 4.33 2ga9A1 ARG 97 HB2 -0.15 -0.02 -0.09 -0.04 1.90 1.60 2ga9A1 ARG 97 HB3 -0.10 0.03 0.04 -0.04 1.80 1.72 2ga9A1 ARG 97 HG2 -0.04 0.08 -0.13 -0.04 1.67 1.53 2ga9A1 ARG 97 HG3 -0.07 -0.15 -0.26 -0.04 1.67 1.16 2ga9A1 ARG 97 HD2 0.01 -0.01 -0.07 -0.04 3.22 3.11 2ga9A1 ARG 97 HD3 -0.02 0.04 -0.06 -0.04 3.22 3.14 2ga9A1 HIS 98 H -0.13 0.10 0.08 -0.55 8.41 7.91 2ga9A1 HIS 98 HA -0.04 0.10 0.41 -0.75 4.63 4.35 2ga9A1 HIS 98 HB2 -0.04 -0.03 0.05 -0.04 3.26 3.20 2ga9A1 HIS 98 HB3 -0.01 0.13 -0.00 -0.04 3.20 3.27 2ga9A1 HIS 98 HD2 -0.03 -0.01 0.03 -0.04 6.97 6.91 2ga9A1 HIS 98 HE1 -0.02 0.02 -0.02 -0.04 7.75 7.69 2ga9A1 HIS 99 H 0.24 0.12 0.07 -0.55 8.41 8.31 2ga9A1 HIS 99 HA -0.01 0.01 0.74 -0.75 4.63 4.61 2ga9A1 HIS 99 HB2 -0.01 -0.02 -0.04 -0.04 3.26 3.15 2ga9A1 HIS 99 HB3 -0.04 0.15 0.01 -0.04 3.20 3.27 2ga9A1 HIS 99 HD2 -0.12 0.12 -0.53 -0.04 6.97 6.40 2ga9A1 HIS 99 HE1 -0.04 0.04 -0.34 -0.04 7.75 7.37 2ga9A1 ASP 100 H 0.07 0.74 0.26 -0.55 8.40 8.92 2ga9A1 ASP 100 HA 0.01 0.09 0.42 -0.75 4.63 4.39 2ga9A1 ASP 100 HB2 0.01 -0.07 0.05 -0.04 2.71 2.65 2ga9A1 ASP 100 HB3 0.01 0.03 -0.00 -0.04 2.70 2.70 2ga9A1 PRO 101 HA -0.01 0.08 0.39 -0.51 4.44 4.39 2ga9A1 PRO 101 HB2 -0.02 0.04 0.01 -0.04 2.28 2.26 2ga9A1 PRO 101 HB3 -0.02 0.04 0.10 -0.04 2.02 2.09 2ga9A1 PRO 101 HG2 -0.02 0.04 0.08 -0.04 2.03 2.09 2ga9A1 PRO 101 HG3 -0.03 0.07 0.11 -0.04 2.03 2.14 2ga9A1 PRO 101 HD2 -0.02 0.08 0.19 -0.04 3.68 3.89 2ga9A1 PRO 101 HD3 -0.01 0.15 0.25 -0.04 3.65 4.00 2ga9A1 ILE 102 H -0.02 0.06 -0.36 -0.55 8.25 7.38 2ga9A1 ILE 102 HA -0.02 0.11 0.39 -0.75 4.18 3.91 2ga9A1 ILE 102 HB 0.01 0.06 0.08 -0.04 1.89 2.00 2ga9A1 ILE 102 HG12 -0.01 -0.14 -0.08 -0.04 1.49 1.22 2ga9A1 ILE 102 HG13 0.00 0.09 -0.28 -0.04 1.21 0.98 2ga9A1 ILE 102 HG23 -0.03 -0.00 0.01 -0.04 0.93 0.87 2ga9A1 ILE 102 HD13 0.08 -0.00 0.01 -0.04 0.88 0.93 2ga9A1 LEU 103 H -0.02 0.37 -0.52 -0.55 8.37 7.65 2ga9A1 LEU 103 HA -0.09 0.14 0.67 -0.75 4.35 4.32 2ga9A1 LEU 103 HB2 -0.05 0.10 -0.06 -0.04 1.64 1.59 2ga9A1 LEU 103 HB3 -0.12 -0.04 -0.00 -0.04 1.64 1.43 2ga9A1 LEU 103 HG -0.06 -0.09 -0.16 -0.04 1.64 1.29 2ga9A1 LEU 103 HD13 -0.08 0.03 -0.05 -0.04 0.93 0.78 2ga9A1 LEU 103 HD23 -0.19 -0.01 -0.14 -0.04 0.89 0.51 2ga9A1 ASN 104 H -0.03 0.50 -0.20 -0.55 8.53 8.25 2ga9A1 ASN 104 HA -0.02 0.07 0.61 -0.75 4.76 4.66 2ga9A1 ASN 104 HB2 -0.02 0.23 0.16 -0.04 2.88 3.21 2ga9A1 ASN 104 HB3 -0.02 -0.06 0.05 -0.04 2.79 2.72 2ga9A1 ASN 104 HD21 -0.00 -0.02 0.01 -0.04 7.03 6.98 2ga9A1 ASN 104 HD22 -0.01 -0.03 0.07 -0.04 7.74 7.73 2ga9A1 GLY 105 H -0.01 0.10 0.14 -0.55 8.43 8.11 2ga9A1 GLY 105 HA2 -0.01 -0.02 0.31 -0.51 4.01 3.78 2ga9A1 GLY 105 HA3 -0.02 0.06 0.39 -0.51 4.01 3.94 2ga9A1 LEU 106 H -0.02 0.22 -0.21 -0.55 8.37 7.81 2ga9A1 LEU 106 HA -0.03 0.14 0.92 -0.75 4.35 4.62 2ga9A1 LEU 106 HB2 -0.04 0.07 0.08 -0.04 1.64 1.71 2ga9A1 LEU 106 HB3 -0.05 -0.10 0.00 -0.04 1.64 1.46 2ga9A1 LEU 106 HG -0.06 0.19 -0.46 -0.04 1.64 1.27 2ga9A1 LEU 106 HD13 -0.12 0.03 -0.03 -0.04 0.93 0.77 2ga9A1 LEU 106 HD23 -0.10 0.01 -0.06 -0.04 0.89 0.70 2ga9A1 ARG 107 H 0.01 0.20 0.11 -0.55 8.46 8.22 2ga9A1 ARG 107 HA 0.03 0.08 0.37 -0.75 4.34 4.07 2ga9A1 ARG 107 HB2 0.03 -0.00 0.12 -0.04 1.90 2.00 2ga9A1 ARG 107 HB3 0.06 0.01 0.06 -0.04 1.80 1.90 2ga9A1 ARG 107 HG2 0.05 0.04 0.05 -0.04 1.67 1.77 2ga9A1 ARG 107 HG3 0.03 -0.02 0.05 -0.04 1.67 1.69 2ga9A1 ARG 107 HD2 0.04 -0.00 -0.01 -0.04 3.22 3.20 2ga9A1 ARG 107 HD3 0.04 -0.02 0.00 -0.04 3.22 3.21 2ga9A1 ASP 108 H 0.09 0.03 -0.26 -0.55 8.40 7.71 2ga9A1 ASP 108 HA 0.13 0.20 0.77 -0.75 4.63 4.97 2ga9A1 ASP 108 HB2 0.29 0.17 0.28 -0.04 2.71 3.40 2ga9A1 ASP 108 HB3 0.21 -0.02 0.09 -0.04 2.70 2.95 2ga9A1 VAL 109 H 0.07 0.46 -0.33 -0.55 8.24 7.90 2ga9A1 VAL 109 HA 0.20 0.31 1.14 -0.75 4.13 5.03 2ga9A1 VAL 109 HB 0.03 -0.05 0.00 -0.04 2.12 2.06 2ga9A1 VAL 109 HG13 -0.03 -0.02 -0.23 -0.04 0.97 0.65 2ga9A1 VAL 109 HG23 -0.05 -0.02 -0.02 -0.04 0.95 0.81 2ga9A1 THR 110 H 0.11 0.72 0.33 -0.55 8.28 8.88 2ga9A1 THR 110 HA 0.03 0.13 0.89 -0.75 4.39 4.69 2ga9A1 THR 110 HB 0.07 -0.02 0.19 -0.04 4.32 4.51 2ga9A1 THR 110 HG23 0.05 -0.02 -0.19 -0.04 1.22 1.03 2ga9A1 LEU 111 H 0.01 0.19 0.16 -0.55 8.37 8.18 2ga9A1 LEU 111 HA -0.09 0.22 0.93 -0.75 4.35 4.65 2ga9A1 LEU 111 HB2 0.01 -0.04 0.12 -0.04 1.64 1.70 2ga9A1 LEU 111 HB3 0.00 -0.04 -0.03 -0.04 1.64 1.52 2ga9A1 LEU 111 HG -0.04 0.09 -0.14 -0.04 1.64 1.51 2ga9A1 LEU 111 HD13 -0.01 -0.01 -0.25 -0.04 0.93 0.62 2ga9A1 LEU 111 HD23 -0.24 0.02 -0.22 -0.04 0.89 0.40 2ga9A1 VAL 112 H 0.02 0.82 0.35 -0.55 8.24 8.89 2ga9A1 VAL 112 HA 0.03 0.16 0.98 -0.75 4.13 4.54 2ga9A1 VAL 112 HB 0.09 -0.04 0.08 -0.04 2.12 2.20 2ga9A1 VAL 112 HG13 0.01 -0.01 -0.25 -0.04 0.97 0.68 2ga9A1 VAL 112 HG23 0.11 0.02 -0.26 -0.04 0.95 0.78 2ga9A1 THR 113 H -0.02 0.21 0.08 -0.55 8.28 7.99 2ga9A1 THR 113 HA -0.15 0.37 0.87 -0.75 4.39 4.73 2ga9A1 THR 113 HB -0.08 -0.03 0.14 -0.04 4.32 4.31 2ga9A1 THR 113 HG23 -0.48 -0.01 -0.27 -0.04 1.22 0.42 2ga9A1 ARG 114 H -0.28 0.66 0.04 -0.55 8.46 8.33 2ga9A1 ARG 114 HA -0.24 0.03 0.40 -0.75 4.34 3.78 2ga9A1 ARG 114 HB2 -0.20 0.13 0.14 -0.04 1.90 1.92 2ga9A1 ARG 114 HB3 -0.28 -0.08 -0.62 -0.04 1.80 0.78 2ga9A1 ARG 114 HG2 -0.51 -0.10 -0.61 -0.04 1.67 0.41 2ga9A1 ARG 114 HG3 -0.23 0.03 -0.10 -0.04 1.67 1.33 2ga9A1 ARG 114 HD2 -0.36 0.04 -0.09 -0.04 3.22 2.78 2ga9A1 ARG 114 HD3 -1.44 -0.03 -0.17 -0.04 3.22 1.54 2ga9A1 PHE 115 H 0.00 0.18 0.11 -0.55 8.34 8.08 2ga9A1 PHE 115 HA -0.04 0.02 0.72 -0.75 4.62 4.57 2ga9A1 PHE 115 HB2 -0.05 0.00 0.14 -0.04 3.15 3.20 2ga9A1 PHE 115 HB3 -0.03 0.09 0.01 -0.04 3.06 3.10 2ga9A1 PHE 115 HD2 -0.04 0.01 0.07 -0.04 7.28 7.28 2ga9A1 PHE 115 HE2 -0.04 0.04 0.01 -0.04 7.38 7.35 2ga9A1 PHE 115 HZ -0.04 0.04 -0.05 -0.04 7.32 7.23 2ga9A1 VAL 116 H 0.14 0.10 0.12 -0.55 8.24 8.04 2ga9A1 VAL 116 HA 0.13 0.10 0.57 -0.75 4.13 4.17 2ga9A1 VAL 116 HB 0.24 0.04 -0.00 -0.04 2.12 2.35 2ga9A1 VAL 116 HG13 0.19 0.01 -0.07 -0.04 0.97 1.06 2ga9A1 VAL 116 HG23 0.12 -0.01 -0.09 -0.04 0.95 0.93 2ga9A1 ASP 117 H 0.19 0.17 0.22 -0.55 8.40 8.44 2ga9A1 ASP 117 HA 0.07 0.22 0.62 -0.75 4.63 4.78 2ga9A1 ASP 117 HB2 0.05 -0.05 0.16 -0.04 2.71 2.83 2ga9A1 ASP 117 HB3 0.06 0.16 -0.10 -0.04 2.70 2.78 2ga9A1 GLU 118 H 0.04 0.21 0.14 -0.55 8.60 8.44 2ga9A1 GLU 118 HA 0.03 0.14 0.37 -0.75 4.29 4.07 2ga9A1 GLU 118 HB2 0.02 0.05 0.13 -0.04 2.09 2.25 2ga9A1 GLU 118 HB3 0.02 -0.05 0.14 -0.04 1.99 2.06 2ga9A1 GLU 118 HG2 0.01 0.00 -0.24 -0.04 2.34 2.07 2ga9A1 GLU 118 HG3 0.01 0.06 0.01 -0.04 2.34 2.38 2ga9A1 GLU 119 H 0.05 0.08 -0.09 -0.55 8.60 8.10 2ga9A1 GLU 119 HA 0.03 0.12 0.36 -0.75 4.29 4.04 2ga9A1 GLU 119 HB2 0.04 0.05 0.08 -0.04 2.09 2.21 2ga9A1 GLU 119 HB3 0.06 -0.08 0.07 -0.04 1.99 2.01 2ga9A1 GLU 119 HG2 0.08 0.04 -0.53 -0.04 2.34 1.89 2ga9A1 GLU 119 HG3 0.04 0.04 -0.05 -0.04 2.34 2.34 2ga9A1 TYR 120 H 0.18 0.03 -0.27 -0.55 8.29 7.68 2ga9A1 TYR 120 HA 0.02 0.10 0.41 -0.75 4.56 4.33 2ga9A1 TYR 120 HB2 0.03 0.02 0.06 -0.04 3.06 3.13 2ga9A1 TYR 120 HB3 0.03 -0.12 0.12 -0.04 2.98 2.97 2ga9A1 TYR 120 HD2 0.03 -0.04 -0.09 -0.04 7.15 7.02 2ga9A1 TYR 120 HE2 0.03 0.03 -0.13 -0.04 6.85 6.74 2ga9A1 LEU 121 H 0.06 0.42 -0.10 -0.55 8.37 8.21 2ga9A1 LEU 121 HA -0.16 0.02 0.36 -0.75 4.35 3.81 2ga9A1 LEU 121 HB2 0.01 0.10 0.14 -0.04 1.64 1.85 2ga9A1 LEU 121 HB3 -0.02 0.05 -0.04 -0.04 1.64 1.58 2ga9A1 LEU 121 HG 0.09 -0.05 -0.01 -0.04 1.64 1.63 2ga9A1 LEU 121 HD13 0.04 -0.01 -0.21 -0.04 0.93 0.71 2ga9A1 LEU 121 HD23 0.03 0.01 -0.03 -0.04 0.89 0.85 2ga9A1 ARG 122 H -0.03 0.49 -0.16 -0.55 8.46 8.21 2ga9A1 ARG 122 HA -0.05 0.08 0.35 -0.75 4.34 3.97 2ga9A1 ARG 122 HB2 -0.02 0.11 0.13 -0.04 1.90 2.08 2ga9A1 ARG 122 HB3 -0.03 -0.02 -0.01 -0.04 1.80 1.70 2ga9A1 ARG 122 HG2 -0.03 0.01 0.02 -0.04 1.67 1.63 2ga9A1 ARG 122 HG3 -0.01 -0.01 -0.01 -0.04 1.67 1.60 2ga9A1 ARG 122 HD2 -0.02 -0.03 -0.02 -0.04 3.22 3.11 2ga9A1 ARG 122 HD3 -0.03 0.04 0.00 -0.04 3.22 3.19 2ga9A1 SER 123 H -0.09 0.32 -0.31 -0.55 8.46 7.83 2ga9A1 SER 123 HA -0.05 0.02 0.41 -0.75 4.49 4.11 2ga9A1 SER 123 HB2 -0.00 -0.00 0.12 -0.04 3.95 4.03 2ga9A1 SER 123 HB3 -0.17 0.14 0.20 -0.04 3.93 4.06 2ga9A1 ILE 124 H -0.33 0.48 -0.03 -0.55 8.25 7.82 2ga9A1 ILE 124 HA -0.10 0.06 0.52 -0.75 4.18 3.90 2ga9A1 ILE 124 HB -0.11 0.01 0.01 -0.04 1.89 1.77 2ga9A1 ILE 124 HG12 -0.36 0.12 0.12 -0.04 1.49 1.33 2ga9A1 ILE 124 HG13 -0.13 0.09 -0.17 -0.04 1.21 0.96 2ga9A1 ILE 124 HG23 -0.45 0.00 -0.05 -0.04 0.93 0.40 2ga9A1 ILE 124 HD13 -0.13 -0.03 -0.09 -0.04 0.88 0.58 2ga9A1 LYS 125 H -0.10 0.40 -0.29 -0.55 8.42 7.88 2ga9A1 LYS 125 HA -0.02 0.07 0.44 -0.75 4.32 4.05 2ga9A1 LYS 125 HB2 -0.05 -0.02 -0.02 -0.04 1.87 1.75 2ga9A1 LYS 125 HB3 -0.05 0.08 0.13 -0.04 1.79 1.90 2ga9A1 LYS 125 HG2 -0.04 0.20 -0.02 -0.04 1.46 1.56 2ga9A1 LYS 125 HG3 -0.05 -0.07 -0.23 -0.04 1.46 1.07 2ga9A1 LYS 125 HD2 0.03 -0.13 0.11 -0.04 1.69 1.67 2ga9A1 LYS 125 HD3 -0.01 -0.00 0.06 -0.04 1.68 1.70 2ga9A1 LYS 125 HE2 -0.01 0.14 -0.08 -0.04 2.99 3.00 2ga9A1 LYS 125 HE3 0.02 -0.12 -0.04 -0.04 2.99 2.81 2ga9A1 LYS 126 H -0.04 0.41 -0.15 -0.55 8.42 8.08 2ga9A1 LYS 126 HA -0.02 0.03 0.41 -0.75 4.32 3.99 2ga9A1 LYS 126 HB2 -0.03 0.11 0.15 -0.04 1.87 2.07 2ga9A1 LYS 126 HB3 -0.01 -0.04 -0.02 -0.04 1.79 1.68 2ga9A1 LYS 126 HG2 -0.05 -0.03 0.04 -0.04 1.46 1.38 2ga9A1 LYS 126 HG3 -0.04 0.14 0.07 -0.04 1.46 1.59 2ga9A1 LYS 126 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 2ga9A1 LYS 126 HD3 -0.02 -0.03 -0.00 -0.04 1.68 1.59 2ga9A1 LYS 126 HE2 -0.02 -0.06 -0.02 -0.04 2.99 2.84 2ga9A1 LYS 126 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 2ga9A1 GLN 127 H -0.02 0.26 -0.25 -0.55 8.47 7.92 2ga9A1 GLN 127 HA 0.01 0.02 0.43 -0.75 4.36 4.06 2ga9A1 GLN 127 HB2 -0.01 0.00 0.12 -0.04 2.15 2.23 2ga9A1 GLN 127 HB3 -0.02 0.04 0.16 -0.04 2.02 2.16 2ga9A1 GLN 127 HG2 0.01 0.05 -0.19 -0.04 2.40 2.23 2ga9A1 GLN 127 HG3 0.01 -0.04 0.03 -0.04 2.39 2.35 2ga9A1 GLN 127 HE21 0.04 -0.07 -0.06 -0.04 6.97 6.84 2ga9A1 GLN 127 HE22 0.02 0.05 -0.08 -0.04 7.69 7.64 2ga9A1 LEU 128 H 0.00 0.56 -0.14 -0.55 8.37 8.24 2ga9A1 LEU 128 HA 0.00 0.02 0.53 -0.75 4.35 4.15 2ga9A1 LEU 128 HB2 -0.00 0.16 0.16 -0.04 1.64 1.92 2ga9A1 LEU 128 HB3 -0.00 -0.01 -0.06 -0.04 1.64 1.52 2ga9A1 LEU 128 HG -0.01 -0.04 -0.04 -0.04 1.64 1.51 2ga9A1 LEU 128 HD13 0.00 -0.01 -0.11 -0.04 0.93 0.78 2ga9A1 LEU 128 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.72 2ga9A1 HIS 129 H 0.10 0.48 -0.12 -0.55 8.41 8.33 2ga9A1 HIS 129 HA -0.02 -0.03 0.38 -0.75 4.63 4.21 2ga9A1 HIS 129 HB2 -0.03 0.16 0.15 -0.04 3.26 3.51 2ga9A1 HIS 129 HB3 -0.02 0.07 0.10 -0.04 3.20 3.30 2ga9A1 HIS 129 HD2 -0.02 -0.03 -0.15 -0.04 6.97 6.73 2ga9A1 HIS 129 HE1 -0.02 -0.03 0.00 -0.04 7.75 7.66 2ga9A1 PRO 130 HA -0.90 0.05 0.32 -0.51 4.44 3.39 2ga9A1 PRO 130 HB2 -0.31 -0.00 0.17 -0.04 2.28 2.09 2ga9A1 PRO 130 HB3 -0.75 -0.03 0.10 -0.04 2.02 1.30 2ga9A1 PRO 130 HG2 -0.16 0.03 -0.00 -0.04 2.03 1.85 2ga9A1 PRO 130 HG3 -0.16 -0.05 0.07 -0.04 2.03 1.85 2ga9A1 PRO 130 HD2 -0.11 0.12 0.40 -0.04 3.68 4.04 2ga9A1 PRO 130 HD3 -0.15 0.03 0.06 -0.04 3.65 3.54 2ga9A1 SER 131 H -0.10 0.69 0.16 -0.55 8.46 8.66 2ga9A1 SER 131 HA -0.08 -0.03 0.41 -0.75 4.49 4.04 2ga9A1 SER 131 HB2 -0.04 -0.03 -0.01 -0.04 3.95 3.83 2ga9A1 SER 131 HB3 -0.05 0.01 -0.05 -0.04 3.93 3.80 2ga9A1 LYS 132 H -0.06 0.14 0.22 -0.55 8.42 8.16 2ga9A1 LYS 132 HA -0.04 0.06 0.53 -0.75 4.32 4.12 2ga9A1 LYS 132 HB2 -0.06 0.03 0.18 -0.04 1.87 1.98 2ga9A1 LYS 132 HB3 -0.06 -0.04 0.10 -0.04 1.79 1.74 2ga9A1 LYS 132 HG2 -0.03 -0.06 0.04 -0.04 1.46 1.37 2ga9A1 LYS 132 HG3 -0.03 -0.02 0.08 -0.04 1.46 1.45 2ga9A1 LYS 132 HD2 -0.06 0.08 -0.04 -0.04 1.69 1.63 2ga9A1 LYS 132 HD3 -0.04 -0.07 0.04 -0.04 1.68 1.58 2ga9A1 LYS 132 HE2 -0.05 -0.09 0.03 -0.04 2.99 2.84 2ga9A1 LYS 132 HE3 -0.06 -0.03 -0.06 -0.04 2.99 2.80 2ga9A1 ILE 133 H -0.02 0.20 0.27 -0.55 8.25 8.15 2ga9A1 ILE 133 HA -0.04 0.31 1.22 -0.75 4.18 4.92 2ga9A1 ILE 133 HB -0.01 0.10 0.06 -0.04 1.89 2.01 2ga9A1 ILE 133 HG12 -0.02 -0.04 -0.14 -0.04 1.49 1.25 2ga9A1 ILE 133 HG13 -0.01 0.28 -0.21 -0.04 1.21 1.22 2ga9A1 ILE 133 HG23 0.00 -0.05 -0.22 -0.04 0.93 0.62 2ga9A1 ILE 133 HD13 -0.00 0.02 -0.04 -0.04 0.88 0.81 2ga9A1 ILE 134 H -0.04 0.80 0.41 -0.55 8.25 8.87 2ga9A1 ILE 134 HA 0.06 0.18 1.02 -0.75 4.18 4.68 2ga9A1 ILE 134 HB -0.08 -0.04 0.06 -0.04 1.89 1.79 2ga9A1 ILE 134 HG12 -0.03 -0.00 -0.10 -0.04 1.49 1.31 2ga9A1 ILE 134 HG13 -0.07 0.01 -0.32 -0.04 1.21 0.78 2ga9A1 ILE 134 HG23 0.11 -0.01 -0.22 -0.04 0.93 0.76 2ga9A1 ILE 134 HD13 -0.19 0.01 -0.20 -0.04 0.88 0.46 2ga9A1 LEU 135 H 0.11 0.53 0.36 -0.55 8.37 8.82 2ga9A1 LEU 135 HA 0.04 0.35 1.15 -0.75 4.35 5.14 2ga9A1 LEU 135 HB2 0.04 0.03 -0.02 -0.04 1.64 1.65 2ga9A1 LEU 135 HB3 0.07 0.00 0.13 -0.04 1.64 1.80 2ga9A1 LEU 135 HG 0.02 -0.05 -0.40 -0.04 1.64 1.17 2ga9A1 LEU 135 HD13 0.05 0.04 -0.01 -0.04 0.93 0.97 2ga9A1 LEU 135 HD23 0.04 -0.01 -0.13 -0.04 0.89 0.75 2ga9A1 ILE 136 H -0.03 0.65 0.39 -0.55 8.25 8.71 2ga9A1 ILE 136 HA -0.17 0.23 1.01 -0.75 4.18 4.49 2ga9A1 ILE 136 HB -0.67 -0.06 0.10 -0.04 1.89 1.22 2ga9A1 ILE 136 HG12 -0.03 0.04 -0.12 -0.04 1.49 1.34 2ga9A1 ILE 136 HG13 0.04 -0.02 -0.49 -0.04 1.21 0.70 2ga9A1 ILE 136 HG23 -0.51 -0.01 -0.13 -0.04 0.93 0.25 2ga9A1 ILE 136 HD13 0.17 -0.01 -0.13 -0.04 0.88 0.86 2ga9A1 SER 137 H -0.07 0.73 0.41 -0.55 8.46 8.98 2ga9A1 SER 137 HA 0.08 0.24 1.22 -0.75 4.49 5.28 2ga9A1 SER 137 HB2 0.05 0.02 0.03 -0.04 3.95 4.01 2ga9A1 SER 137 HB3 0.05 -0.03 0.26 -0.04 3.93 4.17 2ga9A1 ASP 138 H 0.18 0.63 0.27 -0.55 8.40 8.93 2ga9A1 ASP 138 HA 0.12 0.09 0.77 -0.75 4.63 4.86 2ga9A1 ASP 138 HB2 0.25 -0.03 -0.18 -0.04 2.71 2.71 2ga9A1 ASP 138 HB3 0.32 0.22 0.05 -0.04 2.70 3.25 2ga9A1 VAL 139 H 0.10 0.04 0.03 -0.55 8.24 7.86 2ga9A1 VAL 139 HA 0.09 -0.01 0.52 -0.75 4.13 3.98 2ga9A1 VAL 139 HB 0.06 0.05 0.08 -0.04 2.12 2.27 2ga9A1 VAL 139 HG13 0.10 -0.03 0.00 -0.04 0.97 1.00 2ga9A1 VAL 139 HG23 0.03 0.01 -0.00 -0.04 0.95 0.95 2ga9A1 ALA 140 H 0.06 0.03 0.15 -0.55 8.40 8.09 2ga9A1 ALA 140 HA -0.00 0.20 0.77 -0.75 4.34 4.55 2ga9A1 ALA 140 HB3 0.03 0.00 0.12 -0.04 1.41 1.52 2ga9A1 SER 141 H -0.00 0.13 0.07 -0.55 8.46 8.11 2ga9A1 SER 141 HA -0.03 0.16 0.44 -0.75 4.49 4.30 2ga9A1 SER 141 HB2 -0.05 -0.01 -0.07 -0.04 3.95 3.78 2ga9A1 SER 141 HB3 -0.06 -0.00 0.07 -0.04 3.93 3.91 2ga9A1 GLY 145 HA2 0.00 -0.05 0.13 -0.51 4.01 3.58 2ga9A1 GLY 145 HA3 0.00 -0.06 0.32 -0.51 4.01 3.76 2ga9A1 ASN 146 H 0.01 0.14 0.09 -0.55 8.53 8.22 2ga9A1 ASN 146 HA 0.02 -0.01 0.31 -0.75 4.76 4.33 2ga9A1 ASN 146 HB2 0.02 0.15 0.09 -0.04 2.88 3.09 2ga9A1 ASN 146 HB3 0.02 -0.05 0.13 -0.04 2.79 2.84 2ga9A1 ASN 146 HD21 0.00 -0.02 -0.08 -0.04 7.03 6.89 2ga9A1 ASN 146 HD22 0.01 -0.01 -0.05 -0.04 7.74 7.66 2ga9A1 GLU 147 H 0.04 0.08 0.15 -0.55 8.60 8.32 2ga9A1 GLU 147 HA 0.04 0.20 0.83 -0.75 4.29 4.60 2ga9A1 GLU 147 HB2 0.10 -0.04 0.12 -0.04 2.09 2.23 2ga9A1 GLU 147 HB3 0.13 0.05 0.05 -0.04 1.99 2.19 2ga9A1 GLU 147 HG2 0.09 0.05 -0.06 -0.04 2.34 2.37 2ga9A1 GLU 147 HG3 0.06 -0.08 -0.04 -0.04 2.34 2.24 2ga9A1 PRO 148 HA -0.03 -0.01 0.47 -0.51 4.44 4.35 2ga9A1 PRO 148 HB2 -0.08 0.01 0.00 -0.04 2.28 2.17 2ga9A1 PRO 148 HB3 -0.09 -0.04 0.02 -0.04 2.02 1.87 2ga9A1 PRO 148 HG2 -0.04 0.04 0.05 -0.04 2.03 2.04 2ga9A1 PRO 148 HG3 -0.03 -0.01 0.06 -0.04 2.03 2.01 2ga9A1 PRO 148 HD2 0.01 0.06 0.23 -0.04 3.68 3.93 2ga9A1 PRO 148 HD3 0.00 0.36 0.13 -0.04 3.65 4.10 2ga9A1 SER 149 H -0.05 0.04 0.21 -0.55 8.46 8.12 2ga9A1 SER 149 HA -0.02 0.22 0.52 -0.75 4.49 4.45 2ga9A1 SER 149 HB2 -0.04 -0.03 0.19 -0.04 3.95 4.03 2ga9A1 SER 149 HB3 -0.03 0.16 0.16 -0.04 3.93 4.18 2ga9A1 THR 150 H -0.06 0.25 0.21 -0.55 8.28 8.14 2ga9A1 THR 150 HA -0.16 0.12 0.47 -0.75 4.39 4.07 2ga9A1 THR 150 HB -0.11 0.00 0.15 -0.04 4.32 4.32 2ga9A1 THR 150 HG23 -0.26 -0.02 0.01 -0.04 1.22 0.90 2ga9A1 ALA 151 H -0.10 0.10 -0.11 -0.55 8.40 7.75 2ga9A1 ALA 151 HA -0.14 0.11 0.43 -0.75 4.34 3.99 2ga9A1 ALA 151 HB3 -0.08 0.03 0.05 -0.04 1.41 1.38 2ga9A1 ASP 152 H -0.12 0.10 -0.37 -0.55 8.40 7.47 2ga9A1 ASP 152 HA -0.12 0.10 0.49 -0.75 4.63 4.35 2ga9A1 ASP 152 HB2 -0.11 0.10 0.11 -0.04 2.71 2.77 2ga9A1 ASP 152 HB3 -0.11 0.05 -0.01 -0.04 2.70 2.59 2ga9A1 LEU 153 H -0.21 0.42 -0.17 -0.55 8.37 7.87 2ga9A1 LEU 153 HA -0.45 0.07 0.37 -0.75 4.35 3.59 2ga9A1 LEU 153 HB2 -0.25 0.06 0.16 -0.04 1.64 1.57 2ga9A1 LEU 153 HB3 -0.31 0.03 -0.00 -0.04 1.64 1.32 2ga9A1 LEU 153 HG -0.19 0.13 -0.10 -0.04 1.64 1.44 2ga9A1 LEU 153 HD13 -0.21 0.03 -0.11 -0.04 0.93 0.60 2ga9A1 LEU 153 HD23 -0.19 -0.00 -0.05 -0.04 0.89 0.61 2ga9A1 LEU 154 H -0.29 0.57 -0.12 -0.55 8.37 7.98 2ga9A1 LEU 154 HA -0.38 0.04 0.42 -0.75 4.35 3.67 2ga9A1 LEU 154 HB2 -0.20 0.05 0.12 -0.04 1.64 1.56 2ga9A1 LEU 154 HB3 -0.20 -0.02 0.01 -0.04 1.64 1.39 2ga9A1 LEU 154 HG -0.30 0.24 0.04 -0.04 1.64 1.58 2ga9A1 LEU 154 HD13 -0.21 -0.03 -0.01 -0.04 0.93 0.64 2ga9A1 LEU 154 HD23 -0.72 -0.03 -0.01 -0.04 0.89 0.09 2ga9A1 SER 155 H -0.19 0.45 -0.27 -0.55 8.46 7.91 2ga9A1 SER 155 HA -0.09 -0.01 0.45 -0.75 4.49 4.09 2ga9A1 SER 155 HB2 -0.10 0.01 0.16 -0.04 3.95 3.98 2ga9A1 SER 155 HB3 -0.13 0.16 0.21 -0.04 3.93 4.14 2ga9A1 ASN 156 H -0.27 0.49 -0.28 -0.55 8.53 7.93 2ga9A1 ASN 156 HA -0.11 -0.01 0.42 -0.75 4.76 4.30 2ga9A1 ASN 156 HB2 -0.56 0.16 0.22 -0.04 2.88 2.66 2ga9A1 ASN 156 HB3 -0.28 -0.02 -0.03 -0.04 2.79 2.42 2ga9A1 ASN 156 HD21 -0.10 -0.08 -0.29 -0.04 7.03 6.52 2ga9A1 ASN 156 HD22 -0.19 -0.01 -0.08 -0.04 7.74 7.42 2ga9A1 TYR 157 H -0.42 0.55 -0.02 -0.55 8.29 7.85 2ga9A1 TYR 157 HA 0.02 0.04 0.56 -0.75 4.56 4.42 2ga9A1 TYR 157 HB2 -0.18 0.02 0.12 -0.04 3.06 2.98 2ga9A1 TYR 157 HB3 0.04 0.03 0.08 -0.04 2.98 3.09 2ga9A1 TYR 157 HD2 -0.26 -0.05 -0.08 -0.04 7.15 6.72 2ga9A1 TYR 157 HE2 0.08 0.10 -0.04 -0.04 6.85 6.95 2ga9A1 ALA 158 H -0.01 0.53 -0.21 -0.55 8.40 8.16 2ga9A1 ALA 158 HA 0.07 0.04 0.48 -0.75 4.34 4.17 2ga9A1 ALA 158 HB3 0.00 0.03 0.13 -0.04 1.41 1.54 2ga9A1 LEU 159 H -0.00 0.51 -0.14 -0.55 8.37 8.19 2ga9A1 LEU 159 HA 0.02 -0.02 0.41 -0.75 4.35 4.01 2ga9A1 LEU 159 HB2 0.00 0.02 0.12 -0.04 1.64 1.75 2ga9A1 LEU 159 HB3 0.01 0.19 0.18 -0.04 1.64 1.97 2ga9A1 LEU 159 HG 0.05 -0.02 -0.21 -0.04 1.64 1.41 2ga9A1 LEU 159 HD13 0.04 -0.03 -0.05 -0.04 0.93 0.85 2ga9A1 LEU 159 HD23 0.04 0.00 -0.01 -0.04 0.89 0.88 2ga9A1 GLN 160 H 0.07 0.52 -0.14 -0.55 8.47 8.37 2ga9A1 GLN 160 HA 0.06 -0.02 0.45 -0.75 4.36 4.10 2ga9A1 GLN 160 HB2 0.15 0.10 0.20 -0.04 2.15 2.57 2ga9A1 GLN 160 HB3 0.09 -0.01 0.01 -0.04 2.02 2.07 2ga9A1 GLN 160 HG2 0.09 -0.08 0.08 -0.04 2.40 2.44 2ga9A1 GLN 160 HG3 0.09 0.06 0.08 -0.04 2.39 2.58 2ga9A1 GLN 160 HE21 0.18 0.09 0.11 -0.04 6.97 7.31 2ga9A1 GLN 160 HE22 0.11 -0.16 0.01 -0.04 7.69 7.61 2ga9A1 ASN 161 H 0.07 0.49 -0.31 -0.55 8.53 8.23 2ga9A1 ASN 161 HA 0.03 0.02 0.41 -0.75 4.76 4.47 2ga9A1 ASN 161 HB2 0.05 0.19 0.20 -0.04 2.88 3.28 2ga9A1 ASN 161 HB3 0.03 -0.07 -0.03 -0.04 2.79 2.68 2ga9A1 ASN 161 HD21 0.13 0.26 -0.08 -0.04 7.03 7.30 2ga9A1 ASN 161 HD22 0.10 -0.10 0.01 -0.04 7.74 7.71 2ga9A1 VAL 162 H 0.03 0.42 -0.20 -0.55 8.24 7.94 2ga9A1 VAL 162 HA 0.00 0.01 0.39 -0.75 4.13 3.78 2ga9A1 VAL 162 HB 0.02 0.17 0.19 -0.04 2.12 2.46 2ga9A1 VAL 162 HG13 0.01 -0.04 -0.12 -0.04 0.97 0.78 2ga9A1 VAL 162 HG23 0.01 0.05 0.03 -0.04 0.95 1.00 2ga9A1 MET 163 H 0.03 0.52 -0.22 -0.55 8.47 8.24 2ga9A1 MET 163 HA 0.01 -0.04 0.35 -0.75 4.52 4.08 2ga9A1 MET 163 HB2 0.03 0.25 0.17 -0.04 2.15 2.56 2ga9A1 MET 163 HB3 0.03 -0.03 -0.04 -0.04 2.03 1.96 2ga9A1 MET 163 HG2 0.06 -0.09 -0.02 -0.04 2.63 2.54 2ga9A1 MET 163 HG3 0.05 0.24 0.02 -0.04 2.56 2.82 2ga9A1 MET 163 HE3 0.08 -0.03 -0.10 -0.04 2.10 2.00 2ga9A1 ILE 164 H -0.00 0.46 -0.16 -0.55 8.25 8.00 2ga9A1 ILE 164 HA -0.09 0.03 0.37 -0.75 4.18 3.74 2ga9A1 ILE 164 HB -0.04 0.08 0.15 -0.04 1.89 2.04 2ga9A1 ILE 164 HG12 0.02 0.23 0.12 -0.04 1.49 1.82 2ga9A1 ILE 164 HG13 0.05 -0.06 -0.01 -0.04 1.21 1.15 2ga9A1 ILE 164 HG23 -0.31 -0.01 -0.13 -0.04 0.93 0.44 2ga9A1 ILE 164 HD13 0.09 -0.02 -0.07 -0.04 0.88 0.84 2ga9A1 SER 165 H -0.04 0.60 -0.05 -0.55 8.46 8.42 2ga9A1 SER 165 HA -0.08 0.03 0.32 -0.75 4.49 4.00 2ga9A1 SER 165 HB2 -0.04 -0.06 0.07 -0.04 3.95 3.88 2ga9A1 SER 165 HB3 -0.03 0.10 0.11 -0.04 3.93 4.07 2ga9A1 ILE 166 H -0.03 0.43 -0.31 -0.55 8.25 7.78 2ga9A1 ILE 166 HA -0.04 0.07 0.59 -0.75 4.18 4.05 2ga9A1 ILE 166 HB -0.02 0.02 0.08 -0.04 1.89 1.92 2ga9A1 ILE 166 HG12 -0.02 0.23 0.05 -0.04 1.49 1.72 2ga9A1 ILE 166 HG13 -0.01 -0.14 -0.03 -0.04 1.21 0.99 2ga9A1 ILE 166 HG23 -0.04 -0.03 -0.34 -0.04 0.93 0.47 2ga9A1 ILE 166 HD13 -0.02 -0.02 -0.07 -0.04 0.88 0.73 2ga9A1 LEU 167 H -0.04 0.58 0.09 -0.55 8.37 8.45 2ga9A1 LEU 167 HA -0.03 0.03 0.43 -0.75 4.35 4.03 2ga9A1 LEU 167 HB2 -0.03 0.30 0.13 -0.04 1.64 2.01 2ga9A1 LEU 167 HB3 -0.02 -0.04 -0.06 -0.04 1.64 1.48 2ga9A1 LEU 167 HG -0.02 -0.00 -0.03 -0.04 1.64 1.55 2ga9A1 LEU 167 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.77 2ga9A1 LEU 167 HD23 0.01 -0.04 -0.04 -0.04 0.89 0.79 2ga9A1 ASN 168 H -0.08 0.36 -0.39 -0.55 8.53 7.87 2ga9A1 ASN 168 HA -0.15 0.05 0.26 -0.75 4.76 4.16 2ga9A1 ASN 168 HB2 -0.03 0.07 -0.08 -0.04 2.88 2.80 2ga9A1 ASN 168 HB3 -0.05 -0.08 0.09 -0.04 2.79 2.71 2ga9A1 ASN 168 HD21 -0.05 -0.06 -0.01 -0.04 7.03 6.87 2ga9A1 ASN 168 HD22 -0.03 -0.04 -0.07 -0.04 7.74 7.56 2ga9A1 PRO 169 HA -0.00 0.16 0.62 -0.51 4.44 4.71 2ga9A1 PRO 169 HB2 0.10 0.03 0.09 -0.04 2.28 2.46 2ga9A1 PRO 169 HB3 0.02 -0.05 -0.09 -0.04 2.02 1.86 2ga9A1 PRO 169 HG2 -0.13 -0.03 -0.10 -0.04 2.03 1.72 2ga9A1 PRO 169 HG3 -0.01 -0.06 -0.07 -0.04 2.03 1.85 2ga9A1 PRO 169 HD2 -0.25 0.13 0.14 -0.04 3.68 3.66 2ga9A1 PRO 169 HD3 -0.08 0.04 -0.15 -0.04 3.65 3.42 2ga9A1 VAL 170 H 0.05 0.49 0.38 -0.55 8.24 8.61 2ga9A1 VAL 170 HA 0.12 0.11 0.62 -0.75 4.13 4.22 2ga9A1 VAL 170 HB 0.03 -0.02 0.14 -0.04 2.12 2.22 2ga9A1 VAL 170 HG13 0.01 0.00 0.10 -0.04 0.97 1.03 2ga9A1 VAL 170 HG23 0.00 0.05 -0.05 -0.04 0.95 0.91 2ga9A1 ALA 171 H 0.17 0.26 0.11 -0.55 8.40 8.38 2ga9A1 ALA 171 HA 0.16 0.16 0.67 -0.75 4.34 4.58 2ga9A1 ALA 171 HB3 0.10 0.01 0.01 -0.04 1.41 1.50 2ga9A1 SER 172 H 0.17 0.55 0.41 -0.55 8.46 9.04 2ga9A1 SER 172 HA 0.16 0.34 0.93 -0.75 4.49 5.17 2ga9A1 SER 172 HB2 0.07 -0.01 0.03 -0.04 3.95 4.00 2ga9A1 SER 172 HB3 0.22 0.01 -0.16 -0.04 3.93 3.96 2ga9A1 SER 173 H -0.22 0.61 0.38 -0.55 8.46 8.69 2ga9A1 SER 173 HA -0.39 0.28 0.87 -0.75 4.49 4.49 2ga9A1 SER 173 HB2 -1.73 0.02 -0.01 -0.04 3.95 2.19 2ga9A1 SER 173 HB3 -0.59 -0.05 0.20 -0.04 3.93 3.46 2ga9A1 LEU 174 H -0.07 0.69 0.24 -0.55 8.37 8.68 2ga9A1 LEU 174 HA 0.01 0.14 1.21 -0.75 4.35 4.96 2ga9A1 LEU 174 HB2 0.00 -0.01 0.05 -0.04 1.64 1.65 2ga9A1 LEU 174 HB3 0.08 0.05 0.05 -0.04 1.64 1.77 2ga9A1 LEU 174 HG 0.00 -0.02 -0.26 -0.04 1.64 1.32 2ga9A1 LEU 174 HD13 0.03 0.00 -0.07 -0.04 0.93 0.84 2ga9A1 LEU 174 HD23 0.04 0.00 -0.07 -0.04 0.89 0.83 2ga9A1 LYS 175 H 0.10 0.34 0.27 -0.55 8.42 8.58 2ga9A1 LYS 175 HA 0.13 0.08 0.51 -0.75 4.32 4.29 2ga9A1 LYS 175 HB2 0.11 0.10 0.24 -0.04 1.87 2.28 2ga9A1 LYS 175 HB3 0.17 -0.05 0.12 -0.04 1.79 1.99 2ga9A1 LYS 175 HG2 0.14 -0.07 -0.18 -0.04 1.46 1.32 2ga9A1 LYS 175 HG3 0.10 0.00 0.01 -0.04 1.46 1.53 2ga9A1 LYS 175 HD2 0.09 -0.03 -0.11 -0.04 1.69 1.60 2ga9A1 LYS 175 HD3 0.07 0.10 -0.08 -0.04 1.68 1.73 2ga9A1 LYS 175 HE2 0.04 -0.06 -0.06 -0.04 2.99 2.86 2ga9A1 LYS 175 HE3 0.06 -0.02 -0.06 -0.04 2.99 2.93 2ga9A1 TRP 176 H 0.21 0.59 0.34 -0.55 7.97 8.56 2ga9A1 TRP 176 HA -0.05 0.12 0.85 -0.75 4.62 4.78 2ga9A1 TRP 176 HB2 -0.09 0.08 -0.20 -0.04 3.23 2.98 2ga9A1 TRP 176 HB3 -0.06 -0.01 -0.04 -0.04 3.23 3.07 2ga9A1 TRP 176 HD1 -0.12 -0.04 -0.16 -0.04 7.22 6.86 2ga9A1 TRP 176 HE1 -0.33 -0.02 -0.11 -0.04 10.20 9.69 2ga9A1 TRP 176 HE3 -0.82 0.08 -0.02 -0.04 7.59 6.79 2ga9A1 TRP 176 HZ2 -0.30 -0.03 -0.11 -0.04 7.44 6.95 2ga9A1 TRP 176 HZ3 -0.89 0.01 -0.15 -0.04 7.13 6.07 2ga9A1 TRP 176 HH2 0.16 -0.04 -0.12 -0.04 7.19 7.15 2ga9A1 ARG 177 H 0.00 0.28 -0.03 -0.55 8.46 8.16 2ga9A1 ARG 177 HA -0.65 0.23 0.73 -0.75 4.34 3.89 2ga9A1 ARG 177 HB2 -0.11 -0.03 -0.16 -0.04 1.90 1.56 2ga9A1 ARG 177 HB3 -0.16 -0.01 0.02 -0.04 1.80 1.61 2ga9A1 ARG 177 HG2 -0.29 0.12 -0.22 -0.04 1.67 1.23 2ga9A1 ARG 177 HG3 -0.11 -0.11 -0.20 -0.04 1.67 1.21 2ga9A1 ARG 177 HD2 -0.07 -0.07 -0.08 -0.04 3.22 2.95 2ga9A1 ARG 177 HD3 -0.15 -0.01 -0.10 -0.04 3.22 2.93 2ga9A1 CYS 178 H -1.24 0.19 -0.02 -0.55 8.50 6.88 2ga9A1 CYS 178 HA -0.68 0.08 0.38 -0.75 4.58 3.61 2ga9A1 CYS 178 HB2 -1.42 -0.02 0.01 -0.04 2.97 1.51 2ga9A1 CYS 178 HB3 -0.57 -0.01 0.03 -0.04 2.97 2.38 2ga9A1 PRO 179 HA -0.33 0.02 0.36 -0.51 4.44 3.98 2ga9A1 PRO 179 HB2 0.13 -0.03 -0.07 -0.04 2.28 2.27 2ga9A1 PRO 179 HB3 -0.10 0.02 0.04 -0.04 2.02 1.94 2ga9A1 PRO 179 HG2 -0.16 0.01 0.05 -0.04 2.03 1.89 2ga9A1 PRO 179 HG3 -0.13 0.05 0.08 -0.04 2.03 1.99 2ga9A1 PRO 179 HD2 0.48 0.04 0.12 -0.04 3.68 4.27 2ga9A1 PRO 179 HD3 0.15 0.21 0.18 -0.04 3.65 4.15 2ga9A1 PHE 180 H -0.41 0.08 0.10 -0.55 8.34 7.56 2ga9A1 PHE 180 HA 0.01 0.19 0.42 -0.75 4.62 4.48 2ga9A1 PHE 180 HB2 -0.01 -0.07 0.01 -0.04 3.15 3.04 2ga9A1 PHE 180 HB3 -0.08 -0.02 0.03 -0.04 3.06 2.96 2ga9A1 PHE 180 HD2 -0.08 0.00 -0.00 -0.04 7.28 7.16 2ga9A1 PHE 180 HE2 -0.07 0.02 -0.03 -0.04 7.38 7.26 2ga9A1 PHE 180 HZ -0.04 -0.01 -0.03 -0.04 7.32 7.20 2ga9A1 PRO 181 HA 0.11 0.05 0.34 -0.51 4.44 4.43 2ga9A1 PRO 181 HB2 0.04 -0.05 0.10 -0.04 2.28 2.34 2ga9A1 PRO 181 HB3 -0.00 0.04 0.03 -0.04 2.02 2.05 2ga9A1 PRO 181 HG2 0.04 0.06 0.02 -0.04 2.03 2.11 2ga9A1 PRO 181 HG3 0.04 0.00 -0.36 -0.04 2.03 1.67 2ga9A1 PRO 181 HD2 0.12 0.08 0.15 -0.04 3.68 3.99 2ga9A1 PRO 181 HD3 0.19 0.27 0.20 -0.04 3.65 4.26 2ga9A1 ASP 182 H 0.09 0.14 -0.13 -0.55 8.40 7.95 2ga9A1 ASP 182 HA 0.09 0.09 0.41 -0.75 4.63 4.47 2ga9A1 ASP 182 HB2 0.05 0.04 0.11 -0.04 2.71 2.87 2ga9A1 ASP 182 HB3 0.03 0.00 0.08 -0.04 2.70 2.78 2ga9A1 GLN 183 H 0.22 0.50 -0.80 -0.55 8.47 7.85 2ga9A1 GLN 183 HA 0.11 0.20 0.82 -0.75 4.36 4.74 2ga9A1 GLN 183 HB2 0.15 -0.02 0.06 -0.04 2.15 2.29 2ga9A1 GLN 183 HB3 0.08 -0.09 0.16 -0.04 2.02 2.13 2ga9A1 GLN 183 HG2 0.10 0.14 -0.31 -0.04 2.40 2.29 2ga9A1 GLN 183 HG3 0.18 -0.14 -0.36 -0.04 2.39 2.04 2ga9A1 GLN 183 HE21 0.18 0.04 -0.03 -0.04 6.97 7.12 2ga9A1 GLN 183 HE22 0.07 -0.03 -0.08 -0.04 7.69 7.62 2ga9A1 TRP 184 H 0.35 0.35 -0.07 -0.55 7.97 8.05 2ga9A1 TRP 184 HA 0.06 -0.02 0.36 -0.75 4.62 4.26 2ga9A1 TRP 184 HB2 0.05 0.17 0.15 -0.04 3.23 3.56 2ga9A1 TRP 184 HB3 0.04 0.01 -0.01 -0.04 3.23 3.23 2ga9A1 TRP 184 HD1 0.04 0.11 -0.31 -0.04 7.22 7.02 2ga9A1 TRP 184 HE1 0.05 -0.09 -0.26 -0.04 10.20 9.86 2ga9A1 TRP 184 HE3 0.08 0.11 -0.26 -0.04 7.59 7.48 2ga9A1 TRP 184 HZ2 -0.00 0.05 -0.14 -0.04 7.44 7.30 2ga9A1 TRP 184 HZ3 0.15 0.11 -0.15 -0.04 7.13 7.20 2ga9A1 TRP 184 HH2 0.01 -0.00 -0.34 -0.04 7.19 6.81 2ga9A1 ILE 185 H -0.88 0.06 0.13 -0.55 8.25 7.01 2ga9A1 ILE 185 HA -0.07 0.21 0.87 -0.75 4.18 4.44 2ga9A1 ILE 185 HB -0.32 -0.09 0.19 -0.04 1.89 1.64 2ga9A1 ILE 185 HG12 -0.18 0.10 -0.13 -0.04 1.49 1.24 2ga9A1 ILE 185 HG13 -0.18 -0.07 -0.10 -0.04 1.21 0.81 2ga9A1 ILE 185 HG23 -0.09 0.00 -0.09 -0.04 0.93 0.71 2ga9A1 ILE 185 HD13 -0.06 0.00 -0.03 -0.04 0.88 0.75 2ga9A1 LYS 186 H -0.58 0.25 0.23 -0.55 8.42 7.76 2ga9A1 LYS 186 HA 0.12 0.09 0.63 -0.75 4.32 4.40 2ga9A1 LYS 186 HB2 0.06 0.02 0.13 -0.04 1.87 2.04 2ga9A1 LYS 186 HB3 0.01 0.09 -0.10 -0.04 1.79 1.74 2ga9A1 LYS 186 HG2 -0.11 -0.14 -0.08 -0.04 1.46 1.08 2ga9A1 LYS 186 HG3 -0.03 0.13 -0.17 -0.04 1.46 1.34 2ga9A1 LYS 186 HD2 0.04 0.05 -0.02 -0.04 1.69 1.72 2ga9A1 LYS 186 HD3 -0.00 -0.01 -0.05 -0.04 1.68 1.57 2ga9A1 LYS 186 HE2 -0.05 -0.06 -0.04 -0.04 2.99 2.81 2ga9A1 LYS 186 HE3 -0.00 0.03 -0.04 -0.04 2.99 2.94 2ga9A1 ASP 187 H 0.25 0.09 0.18 -0.55 8.40 8.36 2ga9A1 ASP 187 HA 0.50 0.14 0.61 -0.75 4.63 5.12 2ga9A1 ASP 187 HB2 0.11 -0.02 0.11 -0.04 2.71 2.87 2ga9A1 ASP 187 HB3 -0.01 0.09 0.12 -0.04 2.70 2.86 2ga9A1 PHE 188 H -0.34 0.35 0.36 -0.55 8.34 8.16 2ga9A1 PHE 188 HA 0.06 0.14 0.62 -0.75 4.62 4.68 2ga9A1 PHE 188 HB2 0.08 0.00 0.14 -0.04 3.15 3.33 2ga9A1 PHE 188 HB3 -0.00 0.06 -0.08 -0.04 3.06 3.00 2ga9A1 PHE 188 HD2 -0.09 0.16 -0.16 -0.04 7.28 7.15 2ga9A1 PHE 188 HE2 -0.14 0.01 -0.10 -0.04 7.38 7.11 2ga9A1 PHE 188 HZ 0.49 -0.01 -0.07 -0.04 7.32 7.69 2ga9A1 TYR 189 H 0.41 0.20 0.15 -0.55 8.29 8.50 2ga9A1 TYR 189 HA -0.08 0.31 1.12 -0.75 4.56 5.15 2ga9A1 TYR 189 HB2 0.05 -0.02 -0.03 -0.04 3.06 3.01 2ga9A1 TYR 189 HB3 0.00 0.05 -0.15 -0.04 2.98 2.84 2ga9A1 TYR 189 HD2 0.03 -0.01 -0.45 -0.04 7.15 6.68 2ga9A1 TYR 189 HE2 0.02 0.01 -0.13 -0.04 6.85 6.70 2ga9A1 ILE 190 H -0.02 0.58 0.28 -0.55 8.25 8.55 2ga9A1 ILE 190 HA -0.03 0.17 0.73 -0.75 4.18 4.29 2ga9A1 ILE 190 HB -0.46 0.07 0.05 -0.04 1.89 1.51 2ga9A1 ILE 190 HG12 -0.40 -0.04 -0.07 -0.04 1.49 0.93 2ga9A1 ILE 190 HG13 -0.36 0.20 -0.28 -0.04 1.21 0.73 2ga9A1 ILE 190 HG23 -0.47 -0.03 -0.27 -0.04 0.93 0.12 2ga9A1 ILE 190 HD13 -1.36 -0.03 -0.14 -0.04 0.88 -0.68 2ga9A1 PRO 191 HA 0.06 0.27 0.58 -0.51 4.44 4.84 2ga9A1 PRO 191 HB2 0.00 0.04 -0.08 -0.04 2.28 2.20 2ga9A1 PRO 191 HB3 0.20 0.04 0.08 -0.04 2.02 2.30 2ga9A1 PRO 191 HG2 0.08 0.03 -0.01 -0.04 2.03 2.09 2ga9A1 PRO 191 HG3 0.08 0.03 0.01 -0.04 2.03 2.10 2ga9A1 PRO 191 HD2 -0.12 0.09 0.11 -0.04 3.68 3.72 2ga9A1 PRO 191 HD3 -0.02 0.11 0.15 -0.04 3.65 3.85 2ga9A1 HIS 192 H 0.12 0.37 0.25 -0.55 8.41 8.62 2ga9A1 HIS 192 HA -0.06 0.02 0.49 -0.75 4.63 4.33 2ga9A1 HIS 192 HB2 -0.02 -0.05 0.01 -0.04 3.26 3.16 2ga9A1 HIS 192 HB3 -0.03 -0.01 0.13 -0.04 3.20 3.25 2ga9A1 HIS 192 HD2 -0.02 -0.03 0.01 -0.04 6.97 6.89 2ga9A1 HIS 192 HE1 -0.06 0.01 -0.06 -0.04 7.75 7.58 2ga9A1 GLY 193 H -0.71 0.21 0.19 -0.55 8.43 7.57 2ga9A1 GLY 193 HA2 -0.36 0.03 0.32 -0.51 4.01 3.50 2ga9A1 GLY 193 HA3 -0.23 0.14 0.31 -0.51 4.01 3.72 2ga9A1 ASN 194 H -0.11 0.67 0.35 -0.55 8.53 8.89 2ga9A1 ASN 194 HA -0.09 0.06 0.85 -0.75 4.76 4.83 2ga9A1 ASN 194 HB2 -0.11 0.11 0.22 -0.04 2.88 3.06 2ga9A1 ASN 194 HB3 -0.25 -0.01 -0.04 -0.04 2.79 2.44 2ga9A1 ASN 194 HD21 -0.52 0.01 -0.02 -0.04 7.03 6.46 2ga9A1 ASN 194 HD22 -1.85 -0.01 -0.04 -0.04 7.74 5.79 2ga9A1 LYS 195 H 0.19 0.08 0.14 -0.55 8.42 8.28 2ga9A1 LYS 195 HA 0.23 0.27 0.69 -0.75 4.32 4.75 2ga9A1 LYS 195 HB2 0.38 -0.19 0.22 -0.04 1.87 2.24 2ga9A1 LYS 195 HB3 0.36 0.08 -0.03 -0.04 1.79 2.16 2ga9A1 LYS 195 HG2 0.14 0.07 -0.21 -0.04 1.46 1.43 2ga9A1 LYS 195 HG3 0.12 0.01 -0.09 -0.04 1.46 1.46 2ga9A1 LYS 195 HD2 0.32 -0.04 -0.03 -0.04 1.69 1.90 2ga9A1 LYS 195 HD3 0.44 0.03 -0.09 -0.04 1.68 2.03 2ga9A1 LYS 195 HE2 0.22 -0.08 0.02 -0.04 2.99 3.10 2ga9A1 LYS 195 HE3 0.20 -0.01 -0.03 -0.04 2.99 3.11 2ga9A1 MET 196 H 0.29 0.75 0.30 -0.55 8.47 9.26 2ga9A1 MET 196 HA 0.20 0.14 0.70 -0.75 4.52 4.81 2ga9A1 MET 196 HB2 0.42 -0.05 0.14 -0.04 2.15 2.62 2ga9A1 MET 196 HB3 0.22 0.00 0.25 -0.04 2.03 2.46 2ga9A1 MET 196 HG2 0.01 0.33 -0.12 -0.04 2.63 2.80 2ga9A1 MET 196 HG3 -0.00 -0.02 0.07 -0.04 2.56 2.56 2ga9A1 MET 196 HE3 0.08 -0.04 -0.11 -0.04 2.10 1.99 2ga9A1 LEU 197 H 0.05 0.51 0.23 -0.55 8.37 8.61 2ga9A1 LEU 197 HA 0.15 0.05 0.52 -0.75 4.35 4.32 2ga9A1 LEU 197 HB2 0.13 0.14 -0.03 -0.04 1.64 1.85 2ga9A1 LEU 197 HB3 0.22 -0.01 -0.09 -0.04 1.64 1.71 2ga9A1 LEU 197 HG 0.11 -0.01 -0.14 -0.04 1.64 1.56 2ga9A1 LEU 197 HD13 0.24 -0.00 -0.15 -0.04 0.93 0.97 2ga9A1 LEU 197 HD23 0.10 0.04 -0.68 -0.04 0.89 0.31 2ga9A1 GLN 198 H 0.11 0.19 0.10 -0.55 8.47 8.32 2ga9A1 GLN 198 HA -0.06 0.29 1.04 -0.75 4.36 4.87 2ga9A1 GLN 198 HB2 0.05 -0.05 0.08 -0.04 2.15 2.18 2ga9A1 GLN 198 HB3 0.02 0.08 -0.06 -0.04 2.02 2.02 2ga9A1 GLN 198 HG2 0.06 0.05 -0.23 -0.04 2.40 2.23 2ga9A1 GLN 198 HG3 0.08 0.01 -0.07 -0.04 2.39 2.36 2ga9A1 GLN 198 HE21 0.05 -0.10 -0.28 -0.04 6.97 6.60 2ga9A1 GLN 198 HE22 0.06 0.39 -0.51 -0.04 7.69 7.58 2ga9A1 PRO 199 HA -0.09 0.02 0.49 -0.51 4.44 4.35 2ga9A1 PRO 199 HB2 -0.37 0.05 0.02 -0.04 2.28 1.94 2ga9A1 PRO 199 HB3 -0.45 -0.02 0.05 -0.04 2.02 1.56 2ga9A1 PRO 199 HG2 -0.10 0.03 0.01 -0.04 2.03 1.92 2ga9A1 PRO 199 HG3 -0.45 0.03 -0.08 -0.04 2.03 1.49 2ga9A1 PRO 199 HD2 -0.29 0.13 0.19 -0.04 3.68 3.68 2ga9A1 PRO 199 HD3 -1.10 0.17 -0.02 -0.04 3.65 2.66 2ga9A1 PHE 200 H -0.39 0.08 0.17 -0.55 8.34 7.65 2ga9A1 PHE 200 HA -0.02 0.01 0.31 -0.75 4.62 4.17 2ga9A1 PHE 200 HB2 -0.08 0.24 -0.18 -0.04 3.15 3.09 2ga9A1 PHE 200 HB3 -0.06 -0.01 0.16 -0.04 3.06 3.10 2ga9A1 PHE 200 HD2 -0.08 0.05 -0.16 -0.04 7.28 7.05 2ga9A1 PHE 200 HE2 -0.17 0.01 -0.10 -0.04 7.38 7.08 2ga9A1 PHE 200 HZ -1.33 -0.03 -0.16 -0.04 7.32 5.76 2ga9A1 ALA 201 H 0.02 0.19 -0.35 -0.55 8.40 7.71 2ga9A1 ALA 201 HA 0.05 0.03 0.48 -0.75 4.34 4.15 2ga9A1 ALA 201 HB3 0.04 -0.00 0.04 -0.04 1.41 1.44 2ga9A1 PRO 202 HA 0.02 0.10 0.39 -0.51 4.44 4.44 2ga9A1 PRO 202 HB2 0.06 -0.11 0.02 -0.04 2.28 2.21 2ga9A1 PRO 202 HB3 0.05 0.04 0.08 -0.04 2.02 2.15 2ga9A1 PRO 202 HG2 0.05 0.02 0.06 -0.04 2.03 2.12 2ga9A1 PRO 202 HG3 0.04 0.07 0.07 -0.04 2.03 2.16 2ga9A1 PRO 202 HD2 0.04 0.04 0.17 -0.04 3.68 3.89 2ga9A1 PRO 202 HD3 0.04 0.15 0.19 -0.04 3.65 3.99 2ga9A1 SER 203 H -0.03 0.13 0.22 -0.55 8.46 8.24 2ga9A1 SER 203 HA -0.21 0.14 0.38 -0.75 4.49 4.05 2ga9A1 SER 203 HB2 -0.09 -0.07 0.24 -0.04 3.95 3.98 2ga9A1 SER 203 HB3 -0.49 0.07 0.04 -0.04 3.93 3.51 2ga9A1 TYR 204 H 0.05 -0.00 -0.24 -0.55 8.29 7.55 2ga9A1 TYR 204 HA 0.09 0.31 0.89 -0.75 4.56 5.09 2ga9A1 TYR 204 HB2 0.12 -0.04 0.01 -0.04 3.06 3.10 2ga9A1 TYR 204 HB3 0.23 -0.04 0.13 -0.04 2.98 3.25 2ga9A1 TYR 204 HD2 0.10 -0.00 -0.03 -0.04 7.15 7.17 2ga9A1 TYR 204 HE2 -0.08 0.03 -0.09 -0.04 6.85 6.67 2ga9A1 SER 205 H 0.05 0.45 -0.31 -0.55 8.46 8.11 2ga9A1 SER 205 HA 0.13 -0.03 0.42 -0.75 4.49 4.26 2ga9A1 SER 205 HB2 0.06 -0.07 0.08 -0.04 3.95 3.99 2ga9A1 SER 205 HB3 0.05 0.22 0.04 -0.04 3.93 4.20 2ga9A1 ALA 206 H 0.10 0.09 0.16 -0.55 8.40 8.20 2ga9A1 ALA 206 HA 0.10 0.22 0.74 -0.75 4.34 4.65 2ga9A1 ALA 206 HB3 0.09 -0.00 0.04 -0.04 1.41 1.50 2ga9A1 GLU 207 H 0.03 -0.05 -0.16 -0.55 8.60 7.87 2ga9A1 GLU 207 HA -0.12 0.14 0.61 -0.75 4.29 4.16 2ga9A1 GLU 207 HB2 -0.00 -0.08 0.05 -0.04 2.09 2.02 2ga9A1 GLU 207 HB3 0.03 -0.00 0.03 -0.04 1.99 2.00 2ga9A1 GLU 207 HG2 0.04 0.15 -0.17 -0.04 2.34 2.32 2ga9A1 GLU 207 HG3 0.02 -0.06 -0.09 -0.04 2.34 2.17 2ga9A1 MET 208 H -0.03 0.63 0.38 -0.55 8.47 8.90 2ga9A1 MET 208 HA 0.09 0.15 0.64 -0.75 4.52 4.65 2ga9A1 MET 208 HB2 0.19 0.08 -0.09 -0.04 2.15 2.29 2ga9A1 MET 208 HB3 0.13 0.02 -0.17 -0.04 2.03 1.96 2ga9A1 MET 208 HG2 -0.12 0.22 0.06 -0.04 2.63 2.75 2ga9A1 MET 208 HG3 0.31 -0.09 -0.19 -0.04 2.56 2.54 2ga9A1 MET 208 HE3 -0.36 0.02 0.01 -0.04 2.10 1.73 2ga9A1 ARG 209 H 0.16 0.65 0.19 -0.55 8.46 8.91 2ga9A1 ARG 209 HA 0.12 0.24 1.00 -0.75 4.34 4.95 2ga9A1 ARG 209 HB2 0.11 0.07 0.03 -0.04 1.90 2.06 2ga9A1 ARG 209 HB3 0.08 -0.02 -0.01 -0.04 1.80 1.81 2ga9A1 ARG 209 HG2 0.04 -0.01 -0.16 -0.04 1.67 1.51 2ga9A1 ARG 209 HG3 0.01 0.00 -0.22 -0.04 1.67 1.43 2ga9A1 ARG 209 HD2 0.09 0.05 -0.45 -0.04 3.22 2.87 2ga9A1 ARG 209 HD3 0.07 -0.00 -0.22 -0.04 3.22 3.03 2ga9A1 LEU 210 H 0.11 0.68 0.22 -0.55 8.37 8.83 2ga9A1 LEU 210 HA 0.05 0.15 0.61 -0.75 4.35 4.40 2ga9A1 LEU 210 HB2 -0.13 -0.05 -0.04 -0.04 1.64 1.38 2ga9A1 LEU 210 HB3 -0.07 -0.03 0.13 -0.04 1.64 1.62 2ga9A1 LEU 210 HG -0.14 0.02 -0.43 -0.04 1.64 1.05 2ga9A1 LEU 210 HD13 -0.21 0.00 -0.38 -0.04 0.93 0.30 2ga9A1 LEU 210 HD23 -0.37 0.06 -0.16 -0.04 0.89 0.38 2ga9A1 LEU 211 H 0.04 0.75 0.45 -0.55 8.37 9.06 2ga9A1 LEU 211 HA -0.10 0.37 1.11 -0.75 4.35 4.98 2ga9A1 LEU 211 HB2 0.14 -0.11 0.24 -0.04 1.64 1.86 2ga9A1 LEU 211 HB3 0.24 0.04 0.07 -0.04 1.64 1.95 2ga9A1 LEU 211 HG 0.19 0.13 0.08 -0.04 1.64 2.00 2ga9A1 LEU 211 HD13 0.46 -0.01 0.01 -0.04 0.93 1.35 2ga9A1 LEU 211 HD23 -0.20 -0.00 -0.17 -0.04 0.89 0.48 2ga9A1 SER 212 H -0.03 0.68 0.41 -0.55 8.46 8.98 2ga9A1 SER 212 HA -0.16 0.12 1.09 -0.75 4.49 4.79 2ga9A1 SER 212 HB2 -0.46 -0.09 0.02 -0.04 3.95 3.39 2ga9A1 SER 212 HB3 -0.57 0.05 0.01 -0.04 3.93 3.38 2ga9A1 ILE 213 H -0.20 0.23 0.11 -0.55 8.25 7.85 2ga9A1 ILE 213 HA -0.08 0.26 1.02 -0.75 4.18 4.63 2ga9A1 ILE 213 HB -0.08 -0.08 0.17 -0.04 1.89 1.86 2ga9A1 ILE 213 HG12 -0.03 0.09 -0.04 -0.04 1.49 1.47 2ga9A1 ILE 213 HG13 -0.03 -0.12 -0.28 -0.04 1.21 0.73 2ga9A1 ILE 213 HG23 -0.05 0.04 -0.01 -0.04 0.93 0.87 2ga9A1 ILE 213 HD13 -0.12 -0.00 -0.05 -0.04 0.88 0.67 2ga9A1 TYR 214 H 0.02 0.41 0.02 -0.55 8.29 8.18 2ga9A1 TYR 214 HA 0.02 -0.01 0.55 -0.75 4.56 4.36 2ga9A1 TYR 214 HB2 0.01 0.15 0.06 -0.04 3.06 3.24 2ga9A1 TYR 214 HB3 0.01 0.03 -0.09 -0.04 2.98 2.89 2ga9A1 TYR 214 HD2 0.02 0.04 -0.31 -0.04 7.15 6.86 2ga9A1 TYR 214 HE2 0.02 -0.07 -0.15 -0.04 6.85 6.61 2ga9A1 THR 215 H 0.12 0.19 0.11 -0.55 8.28 8.15 2ga9A1 THR 215 HA 0.03 0.18 0.92 -0.75 4.39 4.77 2ga9A1 THR 215 HB 0.01 -0.02 0.24 -0.04 4.32 4.51 2ga9A1 THR 215 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 2ga9A1 GLY 216 H 0.04 0.24 0.05 -0.55 8.43 8.21 2ga9A1 GLY 216 HA2 0.02 0.09 0.31 -0.51 4.01 3.92 2ga9A1 GLY 216 HA3 0.01 -0.02 0.42 -0.51 4.01 3.92 2ga9A1 GLU 217 H 0.01 0.10 0.15 -0.55 8.60 8.31 2ga9A1 GLU 217 HA -0.01 0.19 0.45 -0.75 4.29 4.17 2ga9A1 GLU 217 HB2 -0.00 -0.04 0.14 -0.04 2.09 2.14 2ga9A1 GLU 217 HB3 -0.01 -0.01 0.11 -0.04 1.99 2.04 2ga9A1 GLU 217 HG2 -0.01 -0.04 0.07 -0.04 2.34 2.32 2ga9A1 GLU 217 HG3 -0.02 0.03 0.13 -0.04 2.34 2.44 2ga9A1 ASN 218 H 0.03 0.43 -0.72 -0.55 8.53 7.72 2ga9A1 ASN 218 HA 0.01 0.17 0.89 -0.75 4.76 5.07 2ga9A1 ASN 218 HB2 0.02 0.13 0.19 -0.04 2.88 3.18 2ga9A1 ASN 218 HB3 0.01 -0.05 -0.01 -0.04 2.79 2.69 2ga9A1 ASN 218 HD21 -0.00 -0.07 -0.03 -0.04 7.03 6.89 2ga9A1 ASN 218 HD22 0.01 0.23 0.05 -0.04 7.74 7.98 2ga9A1 MET 219 H 0.01 0.26 -0.02 -0.55 8.47 8.16 2ga9A1 MET 219 HA 0.15 0.07 0.49 -0.75 4.52 4.48 2ga9A1 MET 219 HB2 -0.04 0.07 0.01 -0.04 2.15 2.14 2ga9A1 MET 219 HB3 -0.00 -0.05 0.08 -0.04 2.03 2.02 2ga9A1 MET 219 HG2 0.05 -0.03 -0.24 -0.04 2.63 2.37 2ga9A1 MET 219 HG3 0.07 0.02 -0.04 -0.04 2.56 2.57 2ga9A1 MET 219 HE3 -0.00 -0.00 -0.07 -0.04 2.10 1.98 2ga9A1 ARG 220 H 0.14 0.18 0.20 -0.55 8.46 8.43 2ga9A1 ARG 220 HA 0.03 0.11 0.69 -0.75 4.34 4.42 2ga9A1 ARG 220 HB2 0.07 -0.06 0.20 -0.04 1.90 2.07 2ga9A1 ARG 220 HB3 0.02 -0.02 -0.00 -0.04 1.80 1.76 2ga9A1 ARG 220 HG2 -0.02 0.00 -0.07 -0.04 1.67 1.54 2ga9A1 ARG 220 HG3 -0.00 0.18 0.02 -0.04 1.67 1.83 2ga9A1 ARG 220 HD2 -0.20 -0.04 -0.00 -0.04 3.22 2.93 2ga9A1 ARG 220 HD3 -0.13 0.00 0.00 -0.04 3.22 3.06 2ga9A1 LEU 221 H 0.03 0.22 0.11 -0.55 8.37 8.19 2ga9A1 LEU 221 HA 0.08 0.28 0.91 -0.75 4.35 4.86 2ga9A1 LEU 221 HB2 -0.03 -0.00 0.02 -0.04 1.64 1.59 2ga9A1 LEU 221 HB3 0.05 -0.04 -0.16 -0.04 1.64 1.45 2ga9A1 LEU 221 HG 0.02 0.02 -0.43 -0.04 1.64 1.21 2ga9A1 LEU 221 HD13 -0.06 -0.01 -0.13 -0.04 0.93 0.69 2ga9A1 LEU 221 HD23 0.07 0.02 -0.39 -0.04 0.89 0.55 2ga9A1 THR 222 H 0.08 0.66 0.19 -0.55 8.28 8.66 2ga9A1 THR 222 HA 0.14 0.15 0.99 -0.75 4.39 4.91 2ga9A1 THR 222 HB 0.03 -0.03 0.07 -0.04 4.32 4.36 2ga9A1 THR 222 HG23 0.08 0.03 -0.17 -0.04 1.22 1.12 2ga9A1 ARG 223 H -0.01 0.11 0.15 -0.55 8.46 8.14 2ga9A1 ARG 223 HA -0.82 0.23 0.65 -0.75 4.34 3.64 2ga9A1 ARG 223 HB2 -0.34 0.02 0.04 -0.04 1.90 1.58 2ga9A1 ARG 223 HB3 -0.17 -0.05 0.06 -0.04 1.80 1.60 2ga9A1 ARG 223 HG2 -0.31 0.02 -0.20 -0.04 1.67 1.14 2ga9A1 ARG 223 HG3 -0.77 0.02 -0.07 -0.04 1.67 0.81 2ga9A1 ARG 223 HD2 -0.04 0.03 -0.04 -0.04 3.22 3.12 2ga9A1 ARG 223 HD3 -0.08 -0.05 -0.09 -0.04 3.22 2.95 2ga9A1 VAL 224 H -0.50 0.72 0.40 -0.55 8.24 8.31 2ga9A1 VAL 224 HA -0.09 0.13 0.91 -0.75 4.13 4.32 2ga9A1 VAL 224 HB -1.06 -0.06 0.12 -0.04 2.12 1.09 2ga9A1 VAL 224 HG13 0.30 -0.00 -0.11 -0.04 0.97 1.11 2ga9A1 VAL 224 HG23 -0.32 0.04 -0.15 -0.04 0.95 0.48 2ga9A1 THR 225 H -0.06 0.14 0.14 -0.55 8.28 7.95 2ga9A1 THR 225 HA 0.08 0.28 1.00 -0.75 4.39 5.00 2ga9A1 THR 225 HB -0.15 -0.05 0.16 -0.04 4.32 4.24 2ga9A1 THR 225 HG23 -0.06 0.06 -0.14 -0.04 1.22 1.04 2ga9A1 LYS 226 H -0.65 0.23 0.14 -0.55 8.42 7.59 2ga9A1 LYS 226 HA -2.13 0.16 0.39 -0.75 4.32 1.98 2ga9A1 LYS 226 HB2 -1.71 0.06 0.08 -0.04 1.87 0.26 2ga9A1 LYS 226 HB3 -0.58 -0.01 0.09 -0.04 1.79 1.26 2ga9A1 LYS 226 HG2 -0.38 -0.04 -0.09 -0.04 1.46 0.91 2ga9A1 LYS 226 HG3 -0.62 0.05 0.08 -0.04 1.46 0.93 2ga9A1 LYS 226 HD2 -0.16 0.04 -0.02 -0.04 1.69 1.51 2ga9A1 LYS 226 HD3 -0.20 -0.02 -0.02 -0.04 1.68 1.40 2ga9A1 LYS 226 HE2 -0.08 -0.06 -0.05 -0.04 2.99 2.76 2ga9A1 LYS 226 HE3 0.01 0.17 -0.01 -0.04 2.99 3.12 2ga9A1 SER 227 H -0.32 0.08 -0.18 -0.55 8.46 7.50 2ga9A1 SER 227 HA -0.17 0.11 0.42 -0.75 4.49 4.10 2ga9A1 SER 227 HB2 -0.13 0.05 0.08 -0.04 3.95 3.91 2ga9A1 SER 227 HB3 -0.13 -0.04 0.04 -0.04 3.93 3.76 2ga9A1 ASP 228 H -0.18 0.05 -0.31 -0.55 8.40 7.41 2ga9A1 ASP 228 HA -0.11 0.09 0.44 -0.75 4.63 4.30 2ga9A1 ASP 228 HB2 0.01 0.14 0.14 -0.04 2.71 2.97 2ga9A1 ASP 228 HB3 0.04 0.06 0.06 -0.04 2.70 2.82 2ga9A1 ALA 229 H -0.24 0.27 -0.40 -0.55 8.40 7.47 2ga9A1 ALA 229 HA 0.21 0.06 0.42 -0.75 4.34 4.28 2ga9A1 ALA 229 HB3 -0.11 0.08 0.06 -0.04 1.41 1.40 2ga9A1 VAL 230 H -0.11 0.42 -0.08 -0.55 8.24 7.92 2ga9A1 VAL 230 HA 0.00 -0.01 0.42 -0.75 4.13 3.79 2ga9A1 VAL 230 HB -0.05 0.16 0.17 -0.04 2.12 2.35 2ga9A1 VAL 230 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 2ga9A1 VAL 230 HG23 -0.08 0.03 0.08 -0.04 0.95 0.93 2ga9A1 ASN 231 H -0.03 0.39 -0.21 -0.55 8.53 8.13 2ga9A1 ASN 231 HA 0.03 0.00 0.42 -0.75 4.76 4.46 2ga9A1 ASN 231 HB2 -0.04 0.01 0.12 -0.04 2.88 2.92 2ga9A1 ASN 231 HB3 -0.11 0.12 0.16 -0.04 2.79 2.92 2ga9A1 ASN 231 HD21 0.08 0.05 -0.06 -0.04 7.03 7.07 2ga9A1 ASN 231 HD22 -0.05 0.01 -0.08 -0.04 7.74 7.59 2ga9A1 TYR 232 H 0.07 0.59 -0.09 -0.55 8.29 8.31 2ga9A1 TYR 232 HA 0.20 0.01 0.42 -0.75 4.56 4.44 2ga9A1 TYR 232 HB2 -0.05 0.08 0.20 -0.04 3.06 3.25 2ga9A1 TYR 232 HB3 -0.11 -0.00 -0.01 -0.04 2.98 2.82 2ga9A1 TYR 232 HD2 -0.45 0.01 -0.10 -0.04 7.15 6.57 2ga9A1 TYR 232 HE2 -0.36 -0.05 -0.06 -0.04 6.85 6.35 2ga9A1 GLU 233 H 0.17 0.60 -0.11 -0.55 8.60 8.72 2ga9A1 GLU 233 HA 0.17 0.04 0.42 -0.75 4.29 4.16 2ga9A1 GLU 233 HB2 0.10 0.03 0.16 -0.04 2.09 2.34 2ga9A1 GLU 233 HB3 0.08 0.10 0.21 -0.04 1.99 2.34 2ga9A1 GLU 233 HG2 0.05 -0.05 -0.10 -0.04 2.34 2.19 2ga9A1 GLU 233 HG3 -0.14 0.00 0.08 -0.04 2.34 2.24 2ga9A1 LYS 234 H 0.13 0.51 -0.10 -0.55 8.42 8.40 2ga9A1 LYS 234 HA 0.21 0.18 0.66 -0.75 4.32 4.62 2ga9A1 LYS 234 HB2 0.07 0.07 0.16 -0.04 1.87 2.13 2ga9A1 LYS 234 HB3 0.08 -0.16 0.01 -0.04 1.79 1.67 2ga9A1 LYS 234 HG2 0.08 -0.09 0.06 -0.04 1.46 1.47 2ga9A1 LYS 234 HG3 0.06 0.26 0.11 -0.04 1.46 1.85 2ga9A1 LYS 234 HD2 0.02 0.01 -0.09 -0.04 1.69 1.59 2ga9A1 LYS 234 HD3 0.03 -0.05 -0.17 -0.04 1.68 1.44 2ga9A1 LYS 234 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.90 2ga9A1 LYS 234 HE3 0.00 -0.00 -0.05 -0.04 2.99 2.90 2ga9A1 LYS 235 H 0.16 0.68 0.08 -0.55 8.42 8.79 2ga9A1 LYS 235 HA 0.03 0.14 0.58 -0.75 4.32 4.31 2ga9A1 LYS 235 HB2 0.31 0.03 0.21 -0.04 1.87 2.37 2ga9A1 LYS 235 HB3 -0.26 -0.02 0.10 -0.04 1.79 1.57 2ga9A1 LYS 235 HG2 0.03 -0.02 0.17 -0.04 1.46 1.60 2ga9A1 LYS 235 HG3 0.01 -0.06 0.00 -0.04 1.46 1.37 2ga9A1 LYS 235 HD2 -0.37 0.13 0.03 -0.04 1.69 1.45 2ga9A1 LYS 235 HD3 -0.17 0.16 0.01 -0.04 1.68 1.64 2ga9A1 LYS 235 HE2 -0.09 -0.11 -0.08 -0.04 2.99 2.67 2ga9A1 LYS 235 HE3 -0.10 -0.06 -0.03 -0.04 2.99 2.77 2ga9A1 MET 236 H 0.30 0.63 -0.04 -0.55 8.47 8.80 2ga9A1 MET 236 HA 0.15 -0.01 0.39 -0.75 4.52 4.30 2ga9A1 MET 236 HB2 0.24 0.07 0.12 -0.04 2.15 2.53 2ga9A1 MET 236 HB3 0.19 0.05 0.02 -0.04 2.03 2.25 2ga9A1 MET 236 HG2 0.40 0.16 0.16 -0.04 2.63 3.31 2ga9A1 MET 236 HG3 0.17 0.01 0.08 -0.04 2.56 2.77 2ga9A1 MET 236 HE3 0.13 0.05 -0.12 -0.04 2.10 2.12 2ga9A1 TYR 237 H 0.34 0.45 -0.29 -0.55 8.29 8.23 2ga9A1 TYR 237 HA 0.23 0.04 0.42 -0.75 4.56 4.49 2ga9A1 TYR 237 HB2 0.31 0.09 0.18 -0.04 3.06 3.60 2ga9A1 TYR 237 HB3 0.16 0.15 0.14 -0.04 2.98 3.40 2ga9A1 TYR 237 HD2 0.14 0.02 -0.23 -0.04 7.15 7.03 2ga9A1 TYR 237 HE2 -0.27 0.02 -0.05 -0.04 6.85 6.51 2ga9A1 TYR 238 H 0.25 0.62 -0.09 -0.55 8.29 8.53 2ga9A1 TYR 238 HA -0.13 -0.01 0.34 -0.75 4.56 4.01 2ga9A1 TYR 238 HB2 -0.02 -0.17 -0.12 -0.04 3.06 2.71 2ga9A1 TYR 238 HB3 -0.07 0.30 0.16 -0.04 2.98 3.33 2ga9A1 TYR 238 HD2 -0.16 0.07 -0.13 -0.04 7.15 6.89 2ga9A1 TYR 238 HE2 -0.16 0.00 -0.08 -0.04 6.85 6.56 2ga9A1 LEU 239 H -0.01 0.64 -0.10 -0.55 8.37 8.35 2ga9A1 LEU 239 HA -0.47 -0.13 0.40 -0.75 4.35 3.40 2ga9A1 LEU 239 HB2 -0.17 -0.03 0.09 -0.04 1.64 1.49 2ga9A1 LEU 239 HB3 -0.04 0.16 0.15 -0.04 1.64 1.86 2ga9A1 LEU 239 HG -0.11 0.04 -0.30 -0.04 1.64 1.23 2ga9A1 LEU 239 HD13 -0.18 -0.04 -0.00 -0.04 0.93 0.67 2ga9A1 LEU 239 HD23 0.03 0.01 -0.07 -0.04 0.89 0.82 2ga9A1 ASN 240 H -0.09 0.66 -0.13 -0.55 8.53 8.42 2ga9A1 ASN 240 HA -0.17 0.01 0.57 -0.75 4.76 4.41 2ga9A1 ASN 240 HB2 0.07 -0.02 0.18 -0.04 2.88 3.08 2ga9A1 ASN 240 HB3 -0.27 0.16 0.17 -0.04 2.79 2.81 2ga9A1 ASN 240 HD21 0.10 0.55 -0.18 -0.04 7.03 7.46 2ga9A1 ASN 240 HD22 0.21 -0.11 -0.25 -0.04 7.74 7.54 2ga9A1 LYS 241 H -0.31 0.65 -0.05 -0.55 8.42 8.16 2ga9A1 LYS 241 HA -0.09 0.10 0.55 -0.75 4.32 4.13 2ga9A1 LYS 241 HB2 -0.83 -0.04 0.09 -0.04 1.87 1.05 2ga9A1 LYS 241 HB3 -0.52 -0.01 0.10 -0.04 1.79 1.32 2ga9A1 LYS 241 HG2 -0.26 -0.07 -0.05 -0.04 1.46 1.03 2ga9A1 LYS 241 HG3 -0.16 0.01 -0.19 -0.04 1.46 1.08 2ga9A1 LYS 241 HD2 0.03 0.08 0.09 -0.04 1.69 1.84 2ga9A1 LYS 241 HD3 -0.03 -0.06 -0.00 -0.04 1.68 1.55 2ga9A1 LYS 241 HE2 -0.02 0.02 0.00 -0.04 2.99 2.95 2ga9A1 LYS 241 HE3 0.03 -0.01 -0.00 -0.04 2.99 2.97 2ga9A1 ILE 242 H -0.41 0.62 0.06 -0.55 8.25 7.97 2ga9A1 ILE 242 HA -0.19 0.18 0.77 -0.75 4.18 4.18 2ga9A1 ILE 242 HB -0.88 -0.01 0.16 -0.04 1.89 1.12 2ga9A1 ILE 242 HG12 -0.21 -0.01 0.02 -0.04 1.49 1.25 2ga9A1 ILE 242 HG13 0.04 -0.05 -0.02 -0.04 1.21 1.14 2ga9A1 ILE 242 HG23 -0.12 -0.01 -0.14 -0.04 0.93 0.62 2ga9A1 ILE 242 HD13 -0.05 0.02 -0.11 -0.04 0.88 0.69 2ga9A1 VAL 243 H -0.64 0.22 0.09 -0.55 8.24 7.37 2ga9A1 VAL 243 HA -0.31 0.02 0.32 -0.75 4.13 3.40 2ga9A1 VAL 243 HB -0.49 0.17 0.20 -0.04 2.12 1.96 2ga9A1 VAL 243 HG13 -0.70 -0.03 -0.11 -0.04 0.97 0.10 2ga9A1 VAL 243 HG23 -0.46 -0.00 0.00 -0.04 0.95 0.45 2ga9A1 ARG 244 H -0.34 0.75 -0.00 -0.55 8.46 8.31 2ga9A1 ARG 244 HA -0.22 -0.09 0.43 -0.75 4.34 3.72 2ga9A1 ARG 244 HB2 -0.17 0.26 0.16 -0.04 1.90 2.10 2ga9A1 ARG 244 HB3 -0.06 -0.10 0.14 -0.04 1.80 1.75 2ga9A1 ARG 244 HG2 0.05 -0.16 -0.03 -0.04 1.67 1.49 2ga9A1 ARG 244 HG3 -0.20 0.19 -0.02 -0.04 1.67 1.61 2ga9A1 ARG 244 HD2 0.01 -0.05 -0.10 -0.04 3.22 3.04 2ga9A1 ARG 244 HD3 -0.09 0.12 -0.01 -0.04 3.22 3.20 2ga9A1 ASN 245 H -0.17 0.31 -0.71 -0.55 8.53 7.41 2ga9A1 ASN 245 HA -0.04 0.08 0.76 -0.75 4.76 4.81 2ga9A1 ASN 245 HB2 -0.10 0.23 0.04 -0.04 2.88 3.01 2ga9A1 ASN 245 HB3 -0.05 -0.10 0.16 -0.04 2.79 2.76 2ga9A1 ASN 245 HD21 -0.07 -0.12 0.10 -0.04 7.03 6.90 2ga9A1 ASN 245 HD22 -0.10 0.73 0.17 -0.04 7.74 8.49 2ga9A1 LYS 246 H -0.08 0.35 -0.21 -0.55 8.42 7.92 2ga9A1 LYS 246 HA -0.02 0.32 0.82 -0.75 4.32 4.69 2ga9A1 LYS 246 HB2 -0.04 -0.03 -0.03 -0.04 1.87 1.73 2ga9A1 LYS 246 HB3 -0.03 -0.07 -0.08 -0.04 1.79 1.56 2ga9A1 LYS 246 HG2 -0.12 0.27 0.00 -0.04 1.46 1.57 2ga9A1 LYS 246 HG3 -0.10 -0.14 -0.12 -0.04 1.46 1.06 2ga9A1 LYS 246 HD2 -0.04 -0.04 -0.31 -0.04 1.69 1.26 2ga9A1 LYS 246 HD3 -0.05 0.14 -0.18 -0.04 1.68 1.56 2ga9A1 LYS 246 HE2 -0.09 0.16 -0.07 -0.04 2.99 2.94 2ga9A1 LYS 246 HE3 -0.07 -0.12 -0.16 -0.04 2.99 2.61 2ga9A1 VAL 247 H -0.00 0.31 0.35 -0.55 8.24 8.34 2ga9A1 VAL 247 HA 0.05 0.09 0.70 -0.75 4.13 4.22 2ga9A1 VAL 247 HB 0.00 -0.07 0.13 -0.04 2.12 2.14 2ga9A1 VAL 247 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.77 2ga9A1 VAL 247 HG23 0.02 0.03 -0.04 -0.04 0.95 0.92 2ga9A1 VAL 248 H 0.02 0.87 0.24 -0.55 8.24 8.81 2ga9A1 VAL 248 HA -0.13 0.26 0.82 -0.75 4.13 4.32 2ga9A1 VAL 248 HB -0.31 0.06 0.17 -0.04 2.12 2.00 2ga9A1 VAL 248 HG13 -0.94 -0.06 -0.10 -0.04 0.97 -0.17 2ga9A1 VAL 248 HG23 -0.26 0.01 -0.13 -0.04 0.95 0.54 2ga9A1 VAL 249 H -0.07 0.62 0.36 -0.55 8.24 8.61 2ga9A1 VAL 249 HA -0.02 0.13 0.40 -0.75 4.13 3.88 2ga9A1 VAL 249 HB -0.02 0.01 -0.01 -0.04 2.12 2.05 2ga9A1 VAL 249 HG13 -0.02 0.01 0.01 -0.04 0.97 0.93 2ga9A1 VAL 249 HG23 -0.04 0.07 -0.12 -0.04 0.95 0.82 2ga9A1 ASN 250 H -0.08 0.07 -0.03 -0.55 8.53 7.94 2ga9A1 ASN 250 HA -0.01 0.16 0.60 -0.75 4.76 4.76 2ga9A1 ASN 250 HB2 0.01 0.04 0.14 -0.04 2.88 3.03 2ga9A1 ASN 250 HB3 -0.02 -0.02 0.05 -0.04 2.79 2.76 2ga9A1 ASN 250 HD21 -0.02 0.59 -0.01 -0.04 7.03 7.56 2ga9A1 ASN 250 HD22 0.02 -0.03 -0.04 -0.04 7.74 7.65 2ga9A1 PHE 251 H 0.01 0.30 -0.70 -0.55 8.34 7.40 2ga9A1 PHE 251 HA -0.08 0.11 0.68 -0.75 4.62 4.57 2ga9A1 PHE 251 HB2 -0.62 -0.09 -0.03 -0.04 3.15 2.37 2ga9A1 PHE 251 HB3 -0.21 0.26 0.19 -0.04 3.06 3.26 2ga9A1 PHE 251 HD2 0.00 -0.01 -0.02 -0.04 7.28 7.22 2ga9A1 PHE 251 HE2 -0.41 0.06 -0.15 -0.04 7.38 6.83 2ga9A1 PHE 251 HZ -0.61 0.03 -0.18 -0.04 7.32 6.52 2ga9A1 ASP 252 H -0.05 0.22 -0.01 -0.55 8.40 8.01 2ga9A1 ASP 252 HA -0.14 0.12 0.51 -0.75 4.63 4.36 2ga9A1 ASP 252 HB2 -0.04 0.03 0.03 -0.04 2.71 2.68 2ga9A1 ASP 252 HB3 -0.05 -0.03 0.18 -0.04 2.70 2.75 2ga9A1 TYR 253 H -0.30 0.48 0.15 -0.55 8.29 8.08 2ga9A1 TYR 253 HA -0.28 0.11 0.60 -0.75 4.56 4.23 2ga9A1 TYR 253 HB2 -1.85 -0.04 -0.54 -0.04 3.06 0.60 2ga9A1 TYR 253 HB3 -0.84 0.10 -0.26 -0.04 2.98 1.94 2ga9A1 TYR 253 HD2 -0.00 0.04 0.00 -0.04 7.15 7.15 2ga9A1 TYR 253 HE2 0.25 -0.01 -0.02 -0.04 6.85 7.02 2ga9A1 PRO 254 HA -0.18 0.07 0.39 -0.51 4.44 4.21 2ga9A1 PRO 254 HB2 -0.28 0.02 0.01 -0.04 2.28 1.99 2ga9A1 PRO 254 HB3 -0.19 0.03 0.07 -0.04 2.02 1.89 2ga9A1 PRO 254 HG2 -0.43 0.05 0.05 -0.04 2.03 1.66 2ga9A1 PRO 254 HG3 -0.29 0.03 0.04 -0.04 2.03 1.77 2ga9A1 PRO 254 HD2 -1.85 0.12 0.15 -0.04 3.68 2.06 2ga9A1 PRO 254 HD3 -0.76 0.13 0.15 -0.04 3.65 3.14 2ga9A1 ASN 255 H 0.05 0.16 -0.37 -0.55 8.53 7.82 2ga9A1 ASN 255 HA -0.11 0.17 0.86 -0.75 4.76 4.92 2ga9A1 ASN 255 HB2 -0.39 0.05 -0.08 -0.04 2.88 2.42 2ga9A1 ASN 255 HB3 -0.58 -0.01 0.08 -0.04 2.79 2.24 2ga9A1 ASN 255 HD21 -0.19 0.01 0.00 -0.04 7.03 6.81 2ga9A1 ASN 255 HD22 -0.33 0.05 -0.01 -0.04 7.74 7.41 2ga9A1 GLN 256 H 0.01 0.19 0.06 -0.55 8.47 8.18 2ga9A1 GLN 256 HA 0.43 0.21 0.67 -0.75 4.36 4.92 2ga9A1 GLN 256 HB2 0.04 -0.07 0.05 -0.04 2.15 2.14 2ga9A1 GLN 256 HB3 0.09 0.10 0.18 -0.04 2.02 2.35 2ga9A1 GLN 256 HG2 -0.05 0.32 0.12 -0.04 2.40 2.75 2ga9A1 GLN 256 HG3 -0.04 0.01 -0.05 -0.04 2.39 2.27 2ga9A1 GLN 256 HE21 -0.03 -0.04 0.04 -0.04 6.97 6.89 2ga9A1 GLN 256 HE22 -0.04 0.31 0.02 -0.04 7.69 7.93 2ga9A1 GLU 257 H 0.10 0.03 -0.33 -0.55 8.60 7.86 2ga9A1 GLU 257 HA 0.13 0.20 0.52 -0.75 4.29 4.39 2ga9A1 GLU 257 HB2 0.19 -0.02 0.06 -0.04 2.09 2.28 2ga9A1 GLU 257 HB3 0.34 -0.14 -0.05 -0.04 1.99 2.09 2ga9A1 GLU 257 HG2 0.16 0.06 0.03 -0.04 2.34 2.55 2ga9A1 GLU 257 HG3 0.10 0.11 0.04 -0.04 2.34 2.55 2ga9A1 TYR 258 H 0.20 0.63 0.29 -0.55 8.29 8.86 2ga9A1 TYR 258 HA 0.05 0.01 0.34 -0.75 4.56 4.21 2ga9A1 TYR 258 HB2 -0.02 0.23 0.15 -0.04 3.06 3.38 2ga9A1 TYR 258 HB3 -0.02 0.04 0.18 -0.04 2.98 3.13 2ga9A1 TYR 258 HD2 -0.01 0.02 -0.12 -0.04 7.15 7.00 2ga9A1 TYR 258 HE2 -0.08 0.02 -0.09 -0.04 6.85 6.66 2ga9A1 ASP 259 H 0.08 0.23 -0.12 -0.55 8.40 8.05 2ga9A1 ASP 259 HA -0.28 0.04 0.39 -0.75 4.63 4.03 2ga9A1 ASP 259 HB2 -0.26 0.03 0.07 -0.04 2.71 2.50 2ga9A1 ASP 259 HB3 -1.46 0.03 -0.04 -0.04 2.70 1.19 2ga9A1 TYR 260 H 0.32 0.26 -0.37 -0.55 8.29 7.95 2ga9A1 TYR 260 HA 0.19 0.05 0.48 -0.75 4.56 4.52 2ga9A1 TYR 260 HB2 0.32 0.18 0.01 -0.04 3.06 3.53 2ga9A1 TYR 260 HB3 0.38 0.01 0.00 -0.04 2.98 3.33 2ga9A1 TYR 260 HD2 0.26 -0.04 -0.04 -0.04 7.15 7.29 2ga9A1 TYR 260 HE2 0.24 0.03 -0.05 -0.04 6.85 7.03 2ga9A1 PHE 261 H 0.00 0.44 -0.18 -0.55 8.34 8.05 2ga9A1 PHE 261 HA -1.69 0.02 0.35 -0.75 4.62 2.55 2ga9A1 PHE 261 HB2 -0.75 0.04 -0.02 -0.04 3.15 2.38 2ga9A1 PHE 261 HB3 -0.64 0.17 0.17 -0.04 3.06 2.72 2ga9A1 PHE 261 HD2 -1.14 -0.00 -0.08 -0.04 7.28 6.01 2ga9A1 PHE 261 HE2 -0.17 0.02 -0.32 -0.04 7.38 6.87 2ga9A1 PHE 261 HZ -0.28 0.09 -0.56 -0.04 7.32 6.53 2ga9A1 HIS 262 H -0.41 0.73 -0.04 -0.55 8.41 8.14 2ga9A1 HIS 262 HA -0.63 0.00 0.32 -0.75 4.63 3.57 2ga9A1 HIS 262 HB2 -0.82 -0.00 0.01 -0.04 3.26 2.41 2ga9A1 HIS 262 HB3 -0.40 0.08 0.10 -0.04 3.20 2.94 2ga9A1 HIS 262 HD2 -0.33 -0.07 -0.09 -0.04 6.97 6.44 2ga9A1 HIS 262 HE1 -0.07 -0.10 -0.44 -0.04 7.75 7.10 2ga9A1 MET 263 H -0.15 0.57 -0.19 -0.55 8.47 8.16 2ga9A1 MET 263 HA -0.15 0.01 0.35 -0.75 4.52 3.98 2ga9A1 MET 263 HB2 0.10 0.03 0.10 -0.04 2.15 2.34 2ga9A1 MET 263 HB3 0.06 0.10 0.17 -0.04 2.03 2.32 2ga9A1 MET 263 HG2 0.05 -0.01 -0.26 -0.04 2.63 2.37 2ga9A1 MET 263 HG3 0.05 -0.04 0.01 -0.04 2.56 2.53 2ga9A1 MET 263 HE3 0.18 0.01 -0.03 -0.04 2.10 2.21 2ga9A1 TYR 264 H 0.05 0.52 -0.39 -0.55 8.29 7.92 2ga9A1 TYR 264 HA -0.07 -0.04 0.38 -0.75 4.56 4.08 2ga9A1 TYR 264 HB2 -0.06 0.08 0.11 -0.04 3.06 3.15 2ga9A1 TYR 264 HB3 -0.06 0.22 0.13 -0.04 2.98 3.23 2ga9A1 TYR 264 HD2 -0.40 0.04 -0.22 -0.04 7.15 6.53 2ga9A1 TYR 264 HE2 -0.02 -0.02 -0.04 -0.04 6.85 6.73 2ga9A1 PHE 265 H 0.23 0.46 -0.18 -0.55 8.34 8.30 2ga9A1 PHE 265 HA -0.00 0.03 0.48 -0.75 4.62 4.37 2ga9A1 PHE 265 HB2 -0.25 0.12 0.12 -0.04 3.15 3.09 2ga9A1 PHE 265 HB3 -0.13 -0.04 0.05 -0.04 3.06 2.91 2ga9A1 PHE 265 HD2 -0.25 0.09 0.04 -0.04 7.28 7.12 2ga9A1 PHE 265 HE2 -0.16 -0.02 0.00 -0.04 7.38 7.16 2ga9A1 PHE 265 HZ -0.01 0.12 0.07 -0.04 7.32 7.45 2ga9A1 MET 266 H -0.05 0.34 -0.50 -0.55 8.47 7.71 2ga9A1 MET 266 HA -0.06 0.11 0.69 -0.75 4.52 4.51 2ga9A1 MET 266 HB2 -0.12 0.09 0.18 -0.04 2.15 2.25 2ga9A1 MET 266 HB3 -0.07 -0.03 -0.02 -0.04 2.03 1.87 2ga9A1 MET 266 HG2 -0.86 -0.02 -0.05 -0.04 2.63 1.67 2ga9A1 MET 266 HG3 -0.40 0.13 -0.08 -0.04 2.56 2.17 2ga9A1 MET 266 HE3 -0.49 0.03 -0.02 -0.04 2.10 1.59 2ga9A1 LEU 267 H -0.06 0.67 0.15 -0.55 8.37 8.58 2ga9A1 LEU 267 HA -0.00 0.04 0.38 -0.75 4.35 4.01 2ga9A1 LEU 267 HB2 -0.14 0.04 0.10 -0.04 1.64 1.60 2ga9A1 LEU 267 HB3 -0.08 -0.04 0.05 -0.04 1.64 1.53 2ga9A1 LEU 267 HG -0.02 0.09 0.05 -0.04 1.64 1.72 2ga9A1 LEU 267 HD13 -0.00 -0.02 -0.08 -0.04 0.93 0.79 2ga9A1 LEU 267 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.77 2ga9A1 ARG 268 H -0.19 0.40 -0.41 -0.55 8.46 7.71 2ga9A1 ARG 268 HA -0.23 0.01 0.43 -0.75 4.34 3.79 2ga9A1 ARG 268 HB2 -0.26 -0.12 0.09 -0.04 1.90 1.56 2ga9A1 ARG 268 HB3 -0.49 0.16 0.10 -0.04 1.80 1.52 2ga9A1 ARG 268 HG2 -0.15 0.19 -0.09 -0.04 1.67 1.58 2ga9A1 ARG 268 HG3 -0.13 -0.01 -0.32 -0.04 1.67 1.17 2ga9A1 ARG 268 HD2 -0.27 -0.10 -0.02 -0.04 3.22 2.78 2ga9A1 ARG 268 HD3 -0.64 -0.02 -0.03 -0.04 3.22 2.49 2ga9A1 THR 269 H -0.01 0.40 -0.51 -0.55 8.28 7.61 2ga9A1 THR 269 HA -0.12 0.10 0.63 -0.75 4.39 4.25 2ga9A1 THR 269 HB -0.03 -0.07 0.08 -0.04 4.32 4.26 2ga9A1 THR 269 HG23 0.14 0.00 -0.01 -0.04 1.22 1.31 2ga9A1 VAL 270 H -0.05 0.28 -0.40 -0.55 8.24 7.52 2ga9A1 VAL 270 HA 0.00 0.02 0.54 -0.75 4.13 3.93 2ga9A1 VAL 270 HB 0.00 0.12 0.07 -0.04 2.12 2.27 2ga9A1 VAL 270 HG13 0.06 0.01 -0.10 -0.04 0.97 0.90 2ga9A1 VAL 270 HG23 0.04 -0.00 -0.07 -0.04 0.95 0.88 2ga9A1 TYR 271 H 0.24 0.07 0.16 -0.55 8.29 8.20 2ga9A1 TYR 271 HA 0.08 0.14 0.63 -0.75 4.56 4.66 2ga9A1 TYR 271 HB2 0.09 -0.04 0.08 -0.04 3.06 3.14 2ga9A1 TYR 271 HB3 0.05 -0.00 -0.03 -0.04 2.98 2.96 2ga9A1 TYR 271 HD2 0.08 -0.04 0.03 -0.04 7.15 7.18 2ga9A1 TYR 271 HE2 0.01 -0.02 0.01 -0.04 6.85 6.81 2ga9A1 CYS 272 H 0.22 0.31 0.15 -0.55 8.50 8.63 2ga9A1 CYS 272 HA 0.16 0.09 0.69 -0.75 4.58 4.76 2ga9A1 CYS 272 HB2 0.26 0.08 -0.28 -0.04 2.97 2.99 2ga9A1 CYS 272 HB3 0.31 0.09 0.05 -0.04 2.97 3.38 2ga9A1 ASN 273 H 0.05 0.17 0.09 -0.55 8.53 8.29 2ga9A1 ASN 273 HA 0.02 0.16 0.62 -0.75 4.76 4.80 2ga9A1 ASN 273 HB2 -0.01 0.02 0.09 -0.04 2.88 2.95 2ga9A1 ASN 273 HB3 -0.02 -0.03 0.08 -0.04 2.79 2.79 2ga9A1 ASN 273 HD21 -0.03 0.09 0.04 -0.04 7.03 7.09 2ga9A1 ASN 273 HD22 -0.02 0.13 0.08 -0.04 7.74 7.89 2ga9A1 LYS 274 H -0.01 -0.01 -0.26 -0.55 8.42 7.59 2ga9A1 LYS 274 HA -0.21 0.07 0.58 -0.75 4.32 4.00 2ga9A1 LYS 274 HB2 -0.22 -0.01 0.03 -0.04 1.87 1.63 2ga9A1 LYS 274 HB3 -0.38 -0.02 -0.02 -0.04 1.79 1.33 2ga9A1 LYS 274 HG2 -1.13 0.10 -0.23 -0.04 1.46 0.16 2ga9A1 LYS 274 HG3 -0.42 -0.02 0.04 -0.04 1.46 1.02 2ga9A1 LYS 274 HD2 -0.39 -0.01 -0.02 -0.04 1.69 1.22 2ga9A1 LYS 274 HD3 -1.00 -0.02 -0.07 -0.04 1.68 0.55 2ga9A1 LYS 274 HE2 -0.24 -0.03 -0.02 -0.04 2.99 2.66 2ga9A1 LYS 274 HE3 -0.41 -0.03 -0.05 -0.04 2.99 2.46 2ga9A1 THR 275 H -0.32 0.10 0.13 -0.55 8.28 7.65 2ga9A1 THR 275 HA -0.14 0.21 0.80 -0.75 4.39 4.51 2ga9A1 THR 275 HB -0.14 -0.06 0.04 -0.04 4.32 4.11 2ga9A1 THR 275 HG23 -0.03 0.03 -0.04 -0.04 1.22 1.14 2ga9A1 PHE 276 H 0.09 0.24 0.13 -0.55 8.34 8.25 2ga9A1 PHE 276 HA -0.04 0.20 0.85 -0.75 4.62 4.87 2ga9A1 PHE 276 HB2 -0.01 0.03 -0.05 -0.04 3.15 3.08 2ga9A1 PHE 276 HB3 -0.01 -0.11 -0.01 -0.04 3.06 2.89 2ga9A1 PHE 276 HD2 -0.05 0.01 -0.11 -0.04 7.28 7.09 2ga9A1 PHE 276 HE2 -0.26 0.01 -0.09 -0.04 7.38 7.00 2ga9A1 PHE 276 HZ -1.22 -0.02 -0.09 -0.04 7.32 5.95 2ga9A1 PRO 277 HA 0.05 0.13 0.50 -0.51 4.44 4.60 2ga9A1 PRO 277 HB2 0.06 -0.05 0.06 -0.04 2.28 2.31 2ga9A1 PRO 277 HB3 0.04 0.04 0.08 -0.04 2.02 2.14 2ga9A1 PRO 277 HG2 0.05 0.04 0.08 -0.04 2.03 2.16 2ga9A1 PRO 277 HG3 0.03 0.08 0.03 -0.04 2.03 2.13 2ga9A1 PRO 277 HD2 0.17 0.02 0.22 -0.04 3.68 4.05 2ga9A1 PRO 277 HD3 0.10 0.22 0.23 -0.04 3.65 4.16 2ga9A1 THR 278 H 0.11 0.13 0.03 -0.55 8.28 8.00 2ga9A1 THR 278 HA 0.06 0.31 0.88 -0.75 4.39 4.89 2ga9A1 THR 278 HB 0.07 -0.00 0.14 -0.04 4.32 4.48 2ga9A1 THR 278 HG23 0.05 0.04 -0.16 -0.04 1.22 1.11 2ga9A1 THR 279 H 0.06 0.24 0.16 -0.55 8.28 8.19 2ga9A1 THR 279 HA -0.02 0.17 0.41 -0.75 4.39 4.20 2ga9A1 THR 279 HB 0.09 -0.05 0.14 -0.04 4.32 4.46 2ga9A1 THR 279 HG23 -0.13 0.04 -0.05 -0.04 1.22 1.03 2ga9A1 LYS 280 H 0.12 0.09 -0.14 -0.55 8.42 7.94 2ga9A1 LYS 280 HA 0.35 0.12 0.37 -0.75 4.32 4.40 2ga9A1 LYS 280 HB2 0.22 0.07 0.10 -0.04 1.87 2.22 2ga9A1 LYS 280 HB3 0.11 -0.07 0.05 -0.04 1.79 1.84 2ga9A1 LYS 280 HG2 0.12 -0.04 -0.24 -0.04 1.46 1.27 2ga9A1 LYS 280 HG3 0.38 0.05 0.05 -0.04 1.46 1.89 2ga9A1 LYS 280 HD2 0.07 0.08 0.04 -0.04 1.69 1.83 2ga9A1 LYS 280 HD3 0.04 -0.06 -0.04 -0.04 1.68 1.59 2ga9A1 LYS 280 HE2 -0.09 -0.07 -0.04 -0.04 2.99 2.75 2ga9A1 LYS 280 HE3 -0.02 0.14 0.09 -0.04 2.99 3.16 2ga9A1 ALA 281 H 0.04 0.07 -0.29 -0.55 8.40 7.67 2ga9A1 ALA 281 HA 0.00 0.05 0.40 -0.75 4.34 4.04 2ga9A1 ALA 281 HB3 0.10 0.04 0.10 -0.04 1.41 1.60 2ga9A1 LYS 282 H -0.21 0.32 -0.32 -0.55 8.42 7.67 2ga9A1 LYS 282 HA -1.74 0.04 0.44 -0.75 4.32 2.30 2ga9A1 LYS 282 HB2 -0.19 -0.03 0.07 -0.04 1.87 1.68 2ga9A1 LYS 282 HB3 -0.20 0.13 0.17 -0.04 1.79 1.85 2ga9A1 LYS 282 HG2 -0.14 -0.03 -0.18 -0.04 1.46 1.07 2ga9A1 LYS 282 HG3 -0.10 -0.04 -0.02 -0.04 1.46 1.26 2ga9A1 LYS 282 HD2 0.10 0.03 -0.02 -0.04 1.69 1.76 2ga9A1 LYS 282 HD3 0.06 -0.07 0.01 -0.04 1.68 1.64 2ga9A1 LYS 282 HE2 -0.11 -0.13 0.03 -0.04 2.99 2.74 2ga9A1 LYS 282 HE3 -0.07 0.06 -0.04 -0.04 2.99 2.90 2ga9A1 VAL 283 H -0.18 0.63 0.05 -0.55 8.24 8.19 2ga9A1 VAL 283 HA -0.13 0.07 0.33 -0.75 4.13 3.65 2ga9A1 VAL 283 HB -0.13 0.02 0.12 -0.04 2.12 2.09 2ga9A1 VAL 283 HG13 -0.13 -0.02 -0.10 -0.04 0.97 0.67 2ga9A1 VAL 283 HG23 -0.74 0.05 -0.08 -0.04 0.95 0.14 2ga9A1 LEU 284 H 0.04 0.63 -0.21 -0.55 8.37 8.28 2ga9A1 LEU 284 HA 0.13 -0.01 0.38 -0.75 4.35 4.09 2ga9A1 LEU 284 HB2 0.01 0.11 0.16 -0.04 1.64 1.89 2ga9A1 LEU 284 HB3 0.00 -0.03 -0.04 -0.04 1.64 1.53 2ga9A1 LEU 284 HG 0.04 0.04 0.04 -0.04 1.64 1.72 2ga9A1 LEU 284 HD13 -0.08 -0.02 -0.07 -0.04 0.93 0.72 2ga9A1 LEU 284 HD23 -0.29 -0.02 0.03 -0.04 0.89 0.57 2ga9A1 PHE 285 H 0.01 0.48 -0.21 -0.55 8.34 8.06 2ga9A1 PHE 285 HA 0.01 -0.03 0.41 -0.75 4.62 4.26 2ga9A1 PHE 285 HB2 -0.07 0.03 0.14 -0.04 3.15 3.20 2ga9A1 PHE 285 HB3 -0.38 0.19 0.19 -0.04 3.06 3.03 2ga9A1 PHE 285 HD2 0.16 0.03 -0.06 -0.04 7.28 7.36 2ga9A1 PHE 285 HE2 0.16 -0.01 -0.04 -0.04 7.38 7.46 2ga9A1 PHE 285 HZ 0.12 -0.00 -0.03 -0.04 7.32 7.37 2ga9A1 LEU 286 H 0.04 0.67 -0.09 -0.55 8.37 8.44 2ga9A1 LEU 286 HA -0.05 0.00 0.42 -0.75 4.35 3.97 2ga9A1 LEU 286 HB2 -0.01 0.07 0.14 -0.04 1.64 1.80 2ga9A1 LEU 286 HB3 0.01 -0.06 -0.02 -0.04 1.64 1.52 2ga9A1 LEU 286 HG 0.14 0.08 -0.01 -0.04 1.64 1.82 2ga9A1 LEU 286 HD13 0.02 0.00 -0.10 -0.04 0.93 0.82 2ga9A1 LEU 286 HD23 0.19 -0.02 -0.04 -0.04 0.89 0.97 2ga9A1 GLN 287 H -0.01 0.78 -0.09 -0.55 8.47 8.60 2ga9A1 GLN 287 HA -0.01 -0.01 0.36 -0.75 4.36 3.94 2ga9A1 GLN 287 HB2 0.05 0.02 0.08 -0.04 2.15 2.26 2ga9A1 GLN 287 HB3 -0.00 0.10 0.17 -0.04 2.02 2.24 2ga9A1 GLN 287 HG2 -0.60 -0.02 -0.35 -0.04 2.40 1.39 2ga9A1 GLN 287 HG3 -0.32 -0.04 -0.01 -0.04 2.39 1.98 2ga9A1 GLN 287 HE21 0.20 -0.04 -0.05 -0.04 6.97 7.03 2ga9A1 GLN 287 HE22 -0.90 0.01 -0.08 -0.04 7.69 6.69 2ga9A1 GLN 288 H -0.09 0.65 -0.09 -0.55 8.47 8.39 2ga9A1 GLN 288 HA -0.07 -0.00 0.40 -0.75 4.36 3.93 2ga9A1 GLN 288 HB2 -0.06 0.08 0.14 -0.04 2.15 2.27 2ga9A1 GLN 288 HB3 -0.11 0.08 0.11 -0.04 2.02 2.07 2ga9A1 GLN 288 HG2 -0.01 -0.03 0.05 -0.04 2.40 2.36 2ga9A1 GLN 288 HG3 -0.01 -0.02 -0.00 -0.04 2.39 2.32 2ga9A1 GLN 288 HE21 0.03 -0.00 -0.05 -0.04 6.97 6.90 2ga9A1 GLN 288 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 2ga9A1 SER 289 H -0.20 0.63 -0.15 -0.55 8.46 8.20 2ga9A1 SER 289 HA -0.04 -0.03 0.41 -0.75 4.49 4.08 2ga9A1 SER 289 HB2 -0.50 0.03 0.13 -0.04 3.95 3.56 2ga9A1 SER 289 HB3 -0.10 0.17 0.20 -0.04 3.93 4.17 2ga9A1 ILE 290 H -0.02 0.62 -0.19 -0.55 8.25 8.11 2ga9A1 ILE 290 HA -0.36 -0.01 0.44 -0.75 4.18 3.50 2ga9A1 ILE 290 HB 0.06 0.14 0.17 -0.04 1.89 2.21 2ga9A1 ILE 290 HG12 -0.81 -0.08 -0.03 -0.04 1.49 0.53 2ga9A1 ILE 290 HG13 -0.14 0.22 0.04 -0.04 1.21 1.29 2ga9A1 ILE 290 HG23 -0.14 -0.03 -0.17 -0.04 0.93 0.55 2ga9A1 ILE 290 HD13 -0.09 -0.03 -0.12 -0.04 0.88 0.61 2ga9A1 PHE 291 H 0.32 0.74 0.05 -0.55 8.34 8.91 2ga9A1 PHE 291 HA -0.05 -0.04 0.43 -0.75 4.62 4.22 2ga9A1 PHE 291 HB2 -0.01 0.04 0.17 -0.04 3.15 3.32 2ga9A1 PHE 291 HB3 0.00 0.25 0.03 -0.04 3.06 3.30 2ga9A1 PHE 291 HD2 -0.03 0.11 -0.09 -0.04 7.28 7.23 2ga9A1 PHE 291 HE2 -0.06 -0.02 -0.07 -0.04 7.38 7.19 2ga9A1 PHE 291 HZ -0.32 -0.06 -0.07 -0.04 7.32 6.83 2ga9A1 ARG 292 H 0.14 0.77 -0.11 -0.55 8.46 8.71 2ga9A1 ARG 292 HA 0.07 -0.00 0.41 -0.75 4.34 4.06 2ga9A1 ARG 292 HB2 0.06 0.06 0.12 -0.04 1.90 2.10 2ga9A1 ARG 292 HB3 0.10 0.10 0.16 -0.04 1.80 2.11 2ga9A1 ARG 292 HG2 0.05 -0.01 -0.15 -0.04 1.67 1.53 2ga9A1 ARG 292 HG3 0.04 -0.06 0.02 -0.04 1.67 1.64 2ga9A1 ARG 292 HD2 0.04 -0.02 -0.03 -0.04 3.22 3.17 2ga9A1 ARG 292 HD3 0.06 0.02 -0.03 -0.04 3.22 3.23 2ga9A1 PHE 293 H 0.21 0.53 -0.17 -0.55 8.34 8.36 2ga9A1 PHE 293 HA 0.02 -0.00 0.37 -0.75 4.62 4.25 2ga9A1 PHE 293 HB2 0.19 0.04 0.14 -0.04 3.15 3.48 2ga9A1 PHE 293 HB3 -0.04 0.11 0.17 -0.04 3.06 3.25 2ga9A1 PHE 293 HD2 0.02 0.03 -0.12 -0.04 7.28 7.16 2ga9A1 PHE 293 HE2 0.01 -0.06 -0.15 -0.04 7.38 7.14 2ga9A1 PHE 293 HZ -0.01 0.03 -0.06 -0.04 7.32 7.23 2ga9A1 LEU 294 H 0.03 0.49 -0.26 -0.55 8.37 8.08 2ga9A1 LEU 294 HA -0.28 0.02 0.60 -0.75 4.35 3.93 2ga9A1 LEU 294 HB2 -0.14 0.08 0.07 -0.04 1.64 1.61 2ga9A1 LEU 294 HB3 -0.13 -0.05 0.07 -0.04 1.64 1.49 2ga9A1 LEU 294 HG 0.08 0.11 -0.04 -0.04 1.64 1.75 2ga9A1 LEU 294 HD13 -0.15 -0.01 -0.15 -0.04 0.93 0.58 2ga9A1 LEU 294 HD23 0.05 -0.03 -0.09 -0.04 0.89 0.78 2ga9A1 ASN 295 H -0.08 0.39 -0.47 -0.55 8.53 7.82 2ga9A1 ASN 295 HA -0.02 0.04 0.28 -0.75 4.76 4.31 2ga9A1 ASN 295 HB2 -0.24 0.10 -0.36 -0.04 2.88 2.34 2ga9A1 ASN 295 HB3 0.11 -0.09 0.26 -0.04 2.79 3.03 2ga9A1 ASN 295 HD21 -0.03 -0.05 0.00 -0.04 7.03 6.91 2ga9A1 ASN 295 HD22 0.03 -0.04 0.03 -0.04 7.74 7.72 2ga9A1 ILE 296 H -0.01 0.63 0.01 -0.55 8.25 8.33 2ga9A1 ILE 296 HA 0.01 0.16 0.81 -0.75 4.18 4.40 2ga9A1 ILE 296 HB -0.51 -0.11 0.08 -0.04 1.89 1.31 2ga9A1 ILE 296 HG12 -0.08 0.30 -0.07 -0.04 1.49 1.60 2ga9A1 ILE 296 HG13 -0.12 -0.05 -0.34 -0.04 1.21 0.67 2ga9A1 ILE 296 HG23 -0.27 0.03 -0.09 -0.04 0.93 0.56 2ga9A1 ILE 296 HD13 -0.55 -0.05 -0.11 -0.04 0.88 0.13 2ga9A1 PRO 297 HA 0.10 0.12 0.21 -0.51 4.44 4.36 2ga9A1 PRO 297 HB2 0.08 0.00 0.06 -0.04 2.28 2.38 2ga9A1 PRO 297 HB3 0.06 0.01 0.04 -0.04 2.02 2.09 2ga9A1 PRO 297 HG2 0.03 0.01 0.05 -0.04 2.03 2.09 2ga9A1 PRO 297 HG3 0.04 0.06 -0.04 -0.04 2.03 2.06 2ga9A1 PRO 297 HD2 0.03 0.06 0.17 -0.04 3.68 3.91 2ga9A1 PRO 297 HD3 0.03 0.31 0.22 -0.04 3.65 4.17