============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 5 0.900 -47.081 58.221 27.139 -99.200 -91.000 PHE 33 1.000 -26.076 47.402 22.240 -99.200 -91.000 HIS 43 0.900 -34.617 41.919 19.069 -99.200 -91.000 TYR 56 0.840 -22.135 54.103 13.285 -99.200 -91.000 HIS 57 0.900 -20.704 52.357 6.489 -99.200 -91.000 PHE 69 1.000 -37.979 51.978 12.146 -99.200 -91.000 PHE 82 1.000 -28.255 63.438 3.350 -99.200 -91.000 HIS 115 0.900 -7.171 55.254 -1.651 -99.200 -91.000 TYR 120 0.840 -0.504 60.874 -10.744 -99.200 -91.000 TRP 125 1.040 -1.107 48.559 -7.099 -99.200 -91.000 TRP6 125 1.020 -1.547 50.359 -8.561 -99.200 -91.000 HIS 127 0.900 4.295 46.675 2.052 -99.200 -91.000 PHE 176 1.000 1.359 66.420 -2.551 -99.200 -91.000 PHE 178 1.000 -1.755 65.702 -8.838 -99.200 -91.000 PHE 182 1.000 -14.637 73.647 -9.210 -99.200 -91.000 TYR 183 0.840 -19.710 68.342 -13.780 -99.200 -91.000 TYR 186 0.840 -26.493 69.067 -7.897 -99.200 -91.000 PHE 208 1.000 -10.815 65.813 -24.955 -99.200 -91.000 HIS 209 0.900 -10.190 69.518 -21.585 -99.200 -91.000 HIS 216 0.900 -13.111 63.734 -3.347 -99.200 -91.000 HIS 222 0.900 -31.075 64.042 -10.943 -99.200 -91.000 HIS 224 0.900 -27.141 53.884 -10.436 -99.200 -91.000 HIS 225 0.900 -23.925 51.808 -11.937 -99.200 -91.000 PHE 230 1.000 -21.782 59.120 -23.631 -99.200 -91.000 PHE 240 1.000 -2.391 57.063 -12.474 -99.200 -91.000 HIS 272 0.900 -14.294 48.321 -2.592 -99.200 -91.000 PHE 277 1.000 -16.992 38.189 1.568 -99.200 -91.000 PHE 279 1.000 -8.776 43.036 -4.147 -99.200 -91.000 HIS 295 0.900 -17.981 53.029 3.295 -99.200 -91.000 TRP 298 1.040 -15.447 56.192 7.709 -99.200 -91.000 TRP6 298 1.020 -15.628 55.932 10.054 -99.200 -91.000 TYR 299 0.840 -10.635 54.532 12.718 -99.200 -91.000 HIS 335 0.900 -37.524 66.371 0.793 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ga0A1 ASN 10 HA 0.05 -0.04 0.17 -0.75 4.76 4.18 3ga0A1 ASN 10 HB2 0.02 -0.05 0.09 -0.04 2.88 2.90 3ga0A1 ASN 10 HB3 0.03 -0.03 0.20 -0.04 2.79 2.95 3ga0A1 ASN 10 HD21 0.02 -0.03 0.02 -0.04 7.03 7.00 3ga0A1 ASN 10 HD22 0.02 -0.04 0.04 -0.04 7.74 7.72 3ga0A1 GLY 11 H 0.03 0.10 0.06 -0.55 8.43 8.08 3ga0A1 GLY 11 HA2 0.01 0.07 0.58 -0.51 4.01 4.16 3ga0A1 GLY 11 HA3 0.01 0.06 0.42 -0.51 4.01 3.99 3ga0A1 PRO 12 HA -0.05 0.06 -0.10 -0.51 4.44 3.84 3ga0A1 PRO 12 HB2 -0.06 -0.03 0.06 -0.04 2.28 2.22 3ga0A1 PRO 12 HB3 -0.04 -0.05 0.04 -0.04 2.02 1.92 3ga0A1 PRO 12 HG2 -0.02 0.21 0.12 -0.04 2.03 2.30 3ga0A1 PRO 12 HG3 -0.02 0.01 0.09 -0.04 2.03 2.07 3ga0A1 PRO 12 HD2 -0.01 0.16 0.21 -0.04 3.68 4.00 3ga0A1 PRO 12 HD3 0.00 0.14 0.27 -0.04 3.65 4.03 3ga0A1 MET 13 H -0.13 0.30 0.15 -0.55 8.47 8.24 3ga0A1 MET 13 HA -0.75 0.16 0.80 -0.75 4.52 3.97 3ga0A1 MET 13 HB2 -0.11 -0.02 -0.15 -0.04 2.15 1.83 3ga0A1 MET 13 HB3 -0.12 -0.17 -0.01 -0.04 2.03 1.69 3ga0A1 MET 13 HG2 -0.20 0.17 0.04 -0.04 2.63 2.59 3ga0A1 MET 13 HG3 -0.10 -0.02 -0.23 -0.04 2.56 2.17 3ga0A1 MET 13 HE3 -0.05 -0.00 0.06 -0.04 2.10 2.07 3ga0A1 HIS 14 H -0.07 0.04 0.02 -0.55 8.41 7.85 3ga0A1 HIS 14 HA 0.01 0.25 0.48 -0.75 4.63 4.62 3ga0A1 HIS 14 HB2 0.00 -0.03 0.15 -0.04 3.26 3.34 3ga0A1 HIS 14 HB3 0.00 0.07 -0.05 -0.04 3.20 3.18 3ga0A1 HIS 14 HD2 0.00 -0.05 0.01 -0.04 6.97 6.89 3ga0A1 HIS 14 HE1 0.00 0.11 -0.17 -0.04 7.75 7.65 3ga0A1 PRO 15 HA 0.07 0.03 0.16 -0.51 4.44 4.18 3ga0A1 PRO 15 HB2 0.03 -0.17 0.29 -0.04 2.28 2.39 3ga0A1 PRO 15 HB3 0.03 0.03 0.11 -0.04 2.02 2.15 3ga0A1 PRO 15 HG2 0.02 0.03 0.05 -0.04 2.03 2.09 3ga0A1 PRO 15 HG3 0.04 0.03 0.11 -0.04 2.03 2.17 3ga0A1 PRO 15 HD2 0.02 0.16 -0.32 -0.04 3.68 3.50 3ga0A1 PRO 15 HD3 0.03 0.01 0.14 -0.04 3.65 3.79 3ga0A1 ARG 16 H 0.03 0.06 0.22 -0.55 8.46 8.22 3ga0A1 ARG 16 HA 0.03 0.27 0.91 -0.75 4.34 4.79 3ga0A1 ARG 16 HB2 0.02 0.12 0.01 -0.04 1.90 2.01 3ga0A1 ARG 16 HB3 0.02 -0.12 -0.10 -0.04 1.80 1.55 3ga0A1 ARG 16 HG2 0.02 -0.14 -0.04 -0.04 1.67 1.46 3ga0A1 ARG 16 HG3 0.02 0.01 -0.44 -0.04 1.67 1.22 3ga0A1 ARG 16 HD2 0.02 -0.01 -0.64 -0.04 3.22 2.55 3ga0A1 ARG 16 HD3 0.02 0.06 -0.16 -0.04 3.22 3.09 3ga0A1 PRO 17 HA 0.03 0.08 -0.05 -0.51 4.44 3.99 3ga0A1 PRO 17 HB2 0.02 -0.05 0.04 -0.04 2.28 2.25 3ga0A1 PRO 17 HB3 0.03 0.11 0.15 -0.04 2.02 2.27 3ga0A1 PRO 17 HG2 0.02 -0.04 0.12 -0.04 2.03 2.08 3ga0A1 PRO 17 HG3 0.02 0.07 0.12 -0.04 2.03 2.19 3ga0A1 PRO 17 HD2 0.02 0.39 0.17 -0.04 3.68 4.22 3ga0A1 PRO 17 HD3 0.02 0.16 0.27 -0.04 3.65 4.07 3ga0A1 LEU 18 H 0.03 0.18 0.16 -0.55 8.37 8.19 3ga0A1 LEU 18 HA 0.02 0.19 0.75 -0.75 4.35 4.57 3ga0A1 LEU 18 HB2 0.02 0.04 -0.01 -0.04 1.64 1.65 3ga0A1 LEU 18 HB3 0.03 -0.02 -0.01 -0.04 1.64 1.61 3ga0A1 LEU 18 HG 0.03 -0.00 -0.27 -0.04 1.64 1.36 3ga0A1 LEU 18 HD13 0.02 0.04 -0.11 -0.04 0.93 0.84 3ga0A1 LEU 18 HD23 0.03 -0.03 -0.18 -0.04 0.89 0.67 3ga0A1 VAL 19 H 0.03 0.62 0.31 -0.55 8.24 8.65 3ga0A1 VAL 19 HA 0.03 0.36 1.06 -0.75 4.13 4.83 3ga0A1 VAL 19 HB 0.03 -0.02 0.03 -0.04 2.12 2.11 3ga0A1 VAL 19 HG13 0.01 -0.05 -0.36 -0.04 0.97 0.53 3ga0A1 VAL 19 HG23 0.01 0.01 -0.24 -0.04 0.95 0.69 3ga0A1 ALA 20 H 0.04 0.58 0.36 -0.55 8.40 8.83 3ga0A1 ALA 20 HA 0.07 0.46 1.09 -0.75 4.34 5.20 3ga0A1 ALA 20 HB3 0.07 -0.01 -0.03 -0.04 1.41 1.40 3ga0A1 LEU 21 H 0.13 0.46 0.38 -0.55 8.37 8.78 3ga0A1 LEU 21 HA 0.07 0.27 0.88 -0.75 4.35 4.82 3ga0A1 LEU 21 HB2 0.12 0.05 0.03 -0.04 1.64 1.80 3ga0A1 LEU 21 HB3 0.21 -0.05 0.16 -0.04 1.64 1.92 3ga0A1 LEU 21 HG 0.17 -0.14 -0.27 -0.04 1.64 1.37 3ga0A1 LEU 21 HD13 0.18 0.04 -0.17 -0.04 0.93 0.95 3ga0A1 LEU 21 HD23 0.10 0.01 -0.27 -0.04 0.89 0.69 3ga0A1 LEU 22 H 0.06 0.73 0.38 -0.55 8.37 9.00 3ga0A1 LEU 22 HA 0.08 0.04 0.14 -0.75 4.35 3.86 3ga0A1 LEU 22 HB2 0.05 -0.09 0.11 -0.04 1.64 1.67 3ga0A1 LEU 22 HB3 0.08 0.04 -0.06 -0.04 1.64 1.66 3ga0A1 LEU 22 HG 0.02 0.13 0.03 -0.04 1.64 1.78 3ga0A1 LEU 22 HD13 -0.00 0.01 -0.12 -0.04 0.93 0.77 3ga0A1 LEU 22 HD23 0.11 -0.02 -0.15 -0.04 0.89 0.78 3ga0A1 ASP 23 H 0.11 0.03 0.07 -0.55 8.40 8.06 3ga0A1 ASP 23 HA 0.04 0.34 0.83 -0.75 4.63 5.08 3ga0A1 ASP 23 HB2 -0.01 0.03 0.14 -0.04 2.71 2.82 3ga0A1 ASP 23 HB3 0.03 0.18 -0.01 -0.04 2.70 2.85 3ga0A1 GLY 24 H 0.10 0.34 -0.31 -0.55 8.43 8.01 3ga0A1 GLY 24 HA2 -0.04 0.19 0.54 -0.51 4.01 4.20 3ga0A1 GLY 24 HA3 0.03 -0.01 0.26 -0.51 4.01 3.78 3ga0A1 ARG 25 H -0.10 0.12 0.13 -0.55 8.46 8.06 3ga0A1 ARG 25 HA -0.25 0.18 0.78 -0.75 4.34 4.29 3ga0A1 ARG 25 HB2 -0.09 0.06 0.16 -0.04 1.90 1.99 3ga0A1 ARG 25 HB3 0.08 0.08 -0.16 -0.04 1.80 1.76 3ga0A1 ARG 25 HG2 -0.05 -0.04 -0.05 -0.04 1.67 1.49 3ga0A1 ARG 25 HG3 -0.13 -0.01 -0.15 -0.04 1.67 1.33 3ga0A1 ARG 25 HD2 -0.01 0.02 0.00 -0.04 3.22 3.18 3ga0A1 ARG 25 HD3 0.02 0.06 -0.03 -0.04 3.22 3.23 3ga0A1 ASP 26 H -0.17 0.10 0.06 -0.55 8.40 7.84 3ga0A1 ASP 26 HA -0.34 0.23 0.92 -0.75 4.63 4.68 3ga0A1 ASP 26 HB2 -0.13 0.09 -0.07 -0.04 2.71 2.56 3ga0A1 ASP 26 HB3 -0.06 -0.01 0.12 -0.04 2.70 2.70 3ga0A1 CYS 27 H -0.16 0.28 0.06 -0.55 8.50 8.14 3ga0A1 CYS 27 HA 0.02 0.17 0.83 -0.75 4.58 4.85 3ga0A1 CYS 27 HB2 0.06 0.07 -0.06 -0.04 2.97 3.00 3ga0A1 CYS 27 HB3 0.06 0.03 0.10 -0.04 2.97 3.12 3ga0A1 THR 28 H -0.02 0.14 -0.04 -0.55 8.28 7.81 3ga0A1 THR 28 HA 0.02 0.16 0.30 -0.75 4.39 4.11 3ga0A1 THR 28 HB 0.01 0.10 0.05 -0.04 4.32 4.44 3ga0A1 THR 28 HG23 -0.01 0.01 0.04 -0.04 1.22 1.22 3ga0A1 VAL 29 H 0.03 0.00 -0.26 -0.55 8.24 7.46 3ga0A1 VAL 29 HA 0.03 0.22 0.72 -0.75 4.13 4.35 3ga0A1 VAL 29 HB 0.05 -0.03 -0.04 -0.04 2.12 2.06 3ga0A1 VAL 29 HG13 0.04 0.02 -0.04 -0.04 0.97 0.95 3ga0A1 VAL 29 HG23 0.05 -0.01 -0.05 -0.04 0.95 0.90 3ga0A1 GLU 30 H 0.03 0.00 -0.28 -0.55 8.60 7.81 3ga0A1 GLU 30 HA 0.02 0.12 0.38 -0.75 4.29 4.06 3ga0A1 GLU 30 HB2 0.04 0.05 0.06 -0.04 2.09 2.19 3ga0A1 GLU 30 HB3 0.02 0.04 0.00 -0.04 1.99 2.02 3ga0A1 GLU 30 HG2 0.01 0.03 -0.04 -0.04 2.34 2.30 3ga0A1 GLU 30 HG3 0.01 0.12 -0.07 -0.04 2.34 2.36 3ga0A1 MET 31 H 0.03 0.21 -0.29 -0.55 8.47 7.88 3ga0A1 MET 31 HA 0.03 0.01 0.17 -0.75 4.52 3.98 3ga0A1 MET 31 HB2 0.03 0.02 0.08 -0.04 2.15 2.24 3ga0A1 MET 31 HB3 0.03 0.03 -0.08 -0.04 2.03 1.97 3ga0A1 MET 31 HG2 0.05 -0.01 -0.04 -0.04 2.63 2.60 3ga0A1 MET 31 HG3 0.05 -0.03 -0.06 -0.04 2.56 2.49 3ga0A1 MET 31 HE3 0.04 0.01 -0.02 -0.04 2.10 2.09 3ga0A1 PRO 32 HA 0.02 0.12 0.55 -0.51 4.44 4.62 3ga0A1 PRO 32 HB2 0.01 0.05 -0.08 -0.04 2.28 2.22 3ga0A1 PRO 32 HB3 0.01 0.03 0.07 -0.04 2.02 2.09 3ga0A1 PRO 32 HG2 0.02 0.05 0.02 -0.04 2.03 2.07 3ga0A1 PRO 32 HG3 0.02 0.02 0.02 -0.04 2.03 2.05 3ga0A1 PRO 32 HD2 0.02 0.28 -0.27 -0.04 3.68 3.67 3ga0A1 PRO 32 HD3 0.02 0.06 -0.18 -0.04 3.65 3.51 3ga0A1 ILE 33 H 0.02 0.26 -0.30 -0.55 8.25 7.68 3ga0A1 ILE 33 HA 0.01 0.14 0.68 -0.75 4.18 4.25 3ga0A1 ILE 33 HB 0.01 0.05 0.07 -0.04 1.89 1.98 3ga0A1 ILE 33 HG12 0.01 0.02 -0.04 -0.04 1.49 1.44 3ga0A1 ILE 33 HG13 0.01 -0.03 -0.06 -0.04 1.21 1.09 3ga0A1 ILE 33 HG23 0.00 0.00 -0.17 -0.04 0.93 0.72 3ga0A1 ILE 33 HD13 0.01 -0.01 0.02 -0.04 0.88 0.86 3ga0A1 LEU 34 H 0.02 0.40 -0.03 -0.55 8.37 8.21 3ga0A1 LEU 34 HA 0.01 0.15 0.50 -0.75 4.35 4.26 3ga0A1 LEU 34 HB2 0.03 0.01 -0.08 -0.04 1.64 1.55 3ga0A1 LEU 34 HB3 0.02 0.01 -0.11 -0.04 1.64 1.52 3ga0A1 LEU 34 HG 0.01 -0.01 -0.05 -0.04 1.64 1.56 3ga0A1 LEU 34 HD13 0.02 -0.03 -0.14 -0.04 0.93 0.74 3ga0A1 LEU 34 HD23 0.01 0.04 -0.15 -0.04 0.89 0.75 3ga0A1 LYS 35 H 0.02 0.36 -0.14 -0.55 8.42 8.11 3ga0A1 LYS 35 HA 0.03 -0.00 0.31 -0.75 4.32 3.90 3ga0A1 LYS 35 HB2 0.02 0.27 0.21 -0.04 1.87 2.34 3ga0A1 LYS 35 HB3 0.02 -0.07 0.10 -0.04 1.79 1.79 3ga0A1 LYS 35 HG2 0.02 0.03 -0.16 -0.04 1.46 1.31 3ga0A1 LYS 35 HG3 0.02 -0.04 0.03 -0.04 1.46 1.43 3ga0A1 LYS 35 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 3ga0A1 LYS 35 HD3 0.02 0.01 -0.00 -0.04 1.68 1.66 3ga0A1 LYS 35 HE2 0.02 0.02 -0.03 -0.04 2.99 2.95 3ga0A1 LYS 35 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.93 3ga0A1 ASP 36 H 0.01 0.10 -0.17 -0.55 8.40 7.80 3ga0A1 ASP 36 HA 0.01 0.08 0.31 -0.75 4.63 4.28 3ga0A1 ASP 36 HB2 0.01 0.01 0.06 -0.04 2.71 2.75 3ga0A1 ASP 36 HB3 0.01 -0.05 0.06 -0.04 2.70 2.67 3ga0A1 VAL 37 H 0.01 0.23 -0.23 -0.55 8.24 7.71 3ga0A1 VAL 37 HA 0.01 0.21 0.91 -0.75 4.13 4.51 3ga0A1 VAL 37 HB 0.01 0.01 0.09 -0.04 2.12 2.19 3ga0A1 VAL 37 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.83 3ga0A1 VAL 37 HG23 0.01 -0.02 -0.05 -0.04 0.95 0.85 3ga0A1 ALA 38 H 0.02 0.51 -0.04 -0.55 8.40 8.34 3ga0A1 ALA 38 HA 0.02 0.31 0.73 -0.75 4.34 4.65 3ga0A1 ALA 38 HB3 0.02 -0.05 -0.15 -0.04 1.41 1.20 3ga0A1 THR 39 H 0.02 0.67 0.21 -0.55 8.28 8.64 3ga0A1 THR 39 HA 0.02 0.10 0.78 -0.75 4.39 4.54 3ga0A1 THR 39 HB 0.02 -0.17 0.11 -0.04 4.32 4.24 3ga0A1 THR 39 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.13 3ga0A1 VAL 40 H 0.04 0.19 0.09 -0.55 8.24 8.01 3ga0A1 VAL 40 HA 0.06 0.21 0.65 -0.75 4.13 4.30 3ga0A1 VAL 40 HB 0.08 -0.01 0.07 -0.04 2.12 2.21 3ga0A1 VAL 40 HG13 0.13 -0.03 -0.13 -0.04 0.97 0.90 3ga0A1 VAL 40 HG23 0.05 0.04 -0.17 -0.04 0.95 0.83 3ga0A1 ALA 41 H 0.07 0.49 0.31 -0.55 8.40 8.73 3ga0A1 ALA 41 HA -0.08 0.06 0.49 -0.75 4.34 4.07 3ga0A1 ALA 41 HB3 -0.05 0.04 -0.07 -0.04 1.41 1.29 3ga0A1 PHE 42 H -0.68 0.26 0.17 -0.55 8.34 7.54 3ga0A1 PHE 42 HA 0.03 0.07 1.11 -0.75 4.62 5.07 3ga0A1 PHE 42 HB2 0.03 0.26 0.12 -0.04 3.15 3.52 3ga0A1 PHE 42 HB3 0.04 -0.10 -0.09 -0.04 3.06 2.86 3ga0A1 PHE 42 HD2 0.02 0.00 -0.09 -0.04 7.28 7.17 3ga0A1 PHE 42 HE2 0.02 0.03 0.00 -0.04 7.38 7.39 3ga0A1 PHE 42 HZ 0.02 0.02 0.03 -0.04 7.32 7.36 3ga0A1 CYS 43 H 0.12 0.58 0.30 -0.55 8.50 8.95 3ga0A1 CYS 43 HA -0.09 0.19 0.83 -0.75 4.58 4.76 3ga0A1 CYS 43 HB2 0.02 0.04 0.10 -0.04 2.97 3.09 3ga0A1 CYS 43 HB3 -0.08 0.03 0.13 -0.04 2.97 3.01 3ga0A1 ASP 44 H 0.16 0.29 0.09 -0.55 8.40 8.39 3ga0A1 ASP 44 HA 0.07 -0.15 0.12 -0.75 4.63 3.91 3ga0A1 ASP 44 HB2 0.20 -0.00 -0.19 -0.04 2.71 2.67 3ga0A1 ASP 44 HB3 0.07 0.10 -0.04 -0.04 2.70 2.78 3ga0A1 ALA 45 H 0.03 0.63 0.01 -0.55 8.40 8.54 3ga0A1 ALA 45 HA -0.01 0.09 0.66 -0.75 4.34 4.33 3ga0A1 ALA 45 HB3 -0.01 0.07 -0.14 -0.04 1.41 1.29 3ga0A1 GLN 46 H 0.00 0.16 0.20 -0.55 8.47 8.28 3ga0A1 GLN 46 HA -0.01 0.08 0.49 -0.75 4.36 4.17 3ga0A1 GLN 46 HB2 -0.00 0.06 0.13 -0.04 2.15 2.30 3ga0A1 GLN 46 HB3 0.00 -0.04 0.05 -0.04 2.02 1.99 3ga0A1 GLN 46 HG2 -0.00 0.01 0.04 -0.04 2.40 2.40 3ga0A1 GLN 46 HG3 -0.01 0.00 0.06 -0.04 2.39 2.40 3ga0A1 GLN 46 HE21 -0.00 0.01 0.00 -0.04 6.97 6.94 3ga0A1 GLN 46 HE22 0.00 -0.01 0.01 -0.04 7.69 7.64 3ga0A1 SER 47 H 0.01 0.05 0.01 -0.55 8.46 7.98 3ga0A1 SER 47 HA 0.02 0.25 0.48 -0.75 4.49 4.48 3ga0A1 SER 47 HB2 0.02 0.04 0.21 -0.04 3.95 4.18 3ga0A1 SER 47 HB3 0.01 0.08 -0.09 -0.04 3.93 3.89 3ga0A1 THR 48 H 0.03 0.19 0.14 -0.55 8.28 8.09 3ga0A1 THR 48 HA 0.05 0.14 0.35 -0.75 4.39 4.17 3ga0A1 THR 48 HB 0.01 0.05 -0.03 -0.04 4.32 4.31 3ga0A1 THR 48 HG23 0.06 0.03 0.06 -0.04 1.22 1.33 3ga0A1 GLN 49 H 0.00 -0.02 -0.20 -0.55 8.47 7.71 3ga0A1 GLN 49 HA -0.01 0.19 0.47 -0.75 4.36 4.25 3ga0A1 GLN 49 HB2 0.00 -0.10 0.04 -0.04 2.15 2.05 3ga0A1 GLN 49 HB3 -0.00 0.07 -0.04 -0.04 2.02 2.01 3ga0A1 GLN 49 HG2 -0.00 0.03 0.00 -0.04 2.40 2.39 3ga0A1 GLN 49 HG3 -0.01 0.08 0.01 -0.04 2.39 2.44 3ga0A1 GLN 49 HE21 0.00 -0.03 -0.04 -0.04 6.97 6.86 3ga0A1 GLN 49 HE22 -0.01 0.09 -0.05 -0.04 7.69 7.68 3ga0A1 GLU 50 H -0.01 0.06 -0.35 -0.55 8.60 7.76 3ga0A1 GLU 50 HA -0.01 0.12 0.36 -0.75 4.29 4.01 3ga0A1 GLU 50 HB2 -0.01 -0.18 0.10 -0.04 2.09 1.96 3ga0A1 GLU 50 HB3 -0.02 0.02 0.05 -0.04 1.99 1.99 3ga0A1 GLU 50 HG2 -0.03 0.14 0.11 -0.04 2.34 2.51 3ga0A1 GLU 50 HG3 -0.00 0.03 0.07 -0.04 2.34 2.39 3ga0A1 ILE 51 H -0.03 0.16 -0.56 -0.55 8.25 7.28 3ga0A1 ILE 51 HA -0.13 0.04 0.69 -0.75 4.18 4.03 3ga0A1 ILE 51 HB -0.06 0.16 0.08 -0.04 1.89 2.04 3ga0A1 ILE 51 HG12 0.03 -0.03 -0.06 -0.04 1.49 1.39 3ga0A1 ILE 51 HG13 0.01 0.04 -0.03 -0.04 1.21 1.19 3ga0A1 ILE 51 HG23 0.00 -0.00 -0.11 -0.04 0.93 0.79 3ga0A1 ILE 51 HD13 0.15 -0.02 -0.10 -0.04 0.88 0.88 3ga0A1 HIS 52 H -0.22 0.07 0.12 -0.55 8.41 7.84 3ga0A1 HIS 52 HA -0.03 0.15 0.22 -0.75 4.63 4.22 3ga0A1 HIS 52 HB2 -0.03 -0.07 0.07 -0.04 3.26 3.19 3ga0A1 HIS 52 HB3 -0.03 -0.12 0.14 -0.04 3.20 3.14 3ga0A1 HIS 52 HD2 -0.02 0.05 -0.04 -0.04 6.97 6.91 3ga0A1 HIS 52 HE1 -0.04 0.01 0.04 -0.04 7.75 7.71 3ga0A1 GLU 53 H 0.05 0.13 0.15 -0.55 8.60 8.38 3ga0A1 GLU 53 HA -0.03 0.19 0.42 -0.75 4.29 4.11 3ga0A1 GLU 53 HB2 -0.02 0.04 0.14 -0.04 2.09 2.21 3ga0A1 GLU 53 HB3 -0.02 -0.06 0.13 -0.04 1.99 1.99 3ga0A1 GLU 53 HG2 -0.03 0.01 -0.01 -0.04 2.34 2.27 3ga0A1 GLU 53 HG3 -0.03 0.01 -0.11 -0.04 2.34 2.17 3ga0A1 LYS 54 H 0.00 0.08 -0.03 -0.55 8.42 7.91 3ga0A1 LYS 54 HA -0.01 0.12 0.32 -0.75 4.32 3.99 3ga0A1 LYS 54 HB2 0.02 -0.08 0.03 -0.04 1.87 1.80 3ga0A1 LYS 54 HB3 0.00 0.07 -0.09 -0.04 1.79 1.73 3ga0A1 LYS 54 HG2 -0.02 -0.04 0.04 -0.04 1.46 1.40 3ga0A1 LYS 54 HG3 -0.02 0.02 0.00 -0.04 1.46 1.43 3ga0A1 LYS 54 HD2 -0.01 0.03 -0.04 -0.04 1.69 1.62 3ga0A1 LYS 54 HD3 -0.02 0.03 -0.01 -0.04 1.68 1.64 3ga0A1 LYS 54 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.90 3ga0A1 LYS 54 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.90 3ga0A1 VAL 55 H 0.02 0.06 -0.48 -0.55 8.24 7.29 3ga0A1 VAL 55 HA 0.04 0.01 0.18 -0.75 4.13 3.60 3ga0A1 VAL 55 HB -0.00 0.18 -0.08 -0.04 2.12 2.18 3ga0A1 VAL 55 HG13 0.10 0.00 -0.13 -0.04 0.97 0.90 3ga0A1 VAL 55 HG23 0.03 -0.03 -0.08 -0.04 0.95 0.82 3ga0A1 LEU 56 H -0.12 0.37 -0.18 -0.55 8.37 7.90 3ga0A1 LEU 56 HA -0.58 0.01 0.41 -0.75 4.35 3.44 3ga0A1 LEU 56 HB2 -0.21 0.07 0.08 -0.04 1.64 1.55 3ga0A1 LEU 56 HB3 -0.47 0.08 -0.14 -0.04 1.64 1.06 3ga0A1 LEU 56 HG -0.21 0.21 0.01 -0.04 1.64 1.61 3ga0A1 LEU 56 HD13 -0.23 -0.00 -0.03 -0.04 0.93 0.63 3ga0A1 LEU 56 HD23 -0.70 -0.03 -0.07 -0.04 0.89 0.05 3ga0A1 ASN 57 H -0.06 0.38 -0.17 -0.55 8.53 8.14 3ga0A1 ASN 57 HA -0.02 0.09 0.43 -0.75 4.76 4.50 3ga0A1 ASN 57 HB2 -0.02 0.01 0.06 -0.04 2.88 2.89 3ga0A1 ASN 57 HB3 -0.02 -0.02 0.07 -0.04 2.79 2.78 3ga0A1 ASN 57 HD21 -0.05 -0.04 -0.00 -0.04 7.03 6.90 3ga0A1 ASN 57 HD22 -0.04 0.08 -0.01 -0.04 7.74 7.73 3ga0A1 GLU 58 H 0.02 0.18 -0.28 -0.55 8.60 7.97 3ga0A1 GLU 58 HA 0.02 0.24 0.94 -0.75 4.29 4.73 3ga0A1 GLU 58 HB2 0.01 0.11 -0.03 -0.04 2.09 2.14 3ga0A1 GLU 58 HB3 0.01 -0.08 -0.13 -0.04 1.99 1.76 3ga0A1 GLU 58 HG2 -0.02 0.06 -0.09 -0.04 2.34 2.25 3ga0A1 GLU 58 HG3 -0.01 -0.03 -0.24 -0.04 2.34 2.01 3ga0A1 ALA 59 H 0.08 0.40 0.08 -0.55 8.40 8.42 3ga0A1 ALA 59 HA 0.06 -0.09 0.29 -0.75 4.34 3.84 3ga0A1 ALA 59 HB3 0.17 -0.03 0.04 -0.04 1.41 1.56 3ga0A1 VAL 60 H 0.04 0.33 0.41 -0.55 8.24 8.46 3ga0A1 VAL 60 HA 0.03 0.39 0.74 -0.75 4.13 4.53 3ga0A1 VAL 60 HB 0.02 -0.03 0.17 -0.04 2.12 2.24 3ga0A1 VAL 60 HG13 0.02 0.01 0.06 -0.04 0.97 1.02 3ga0A1 VAL 60 HG23 0.03 -0.01 0.17 -0.04 0.95 1.10 3ga0A1 GLY 61 H 0.01 0.45 0.36 -0.55 8.43 8.71 3ga0A1 GLY 61 HA2 -0.03 0.25 1.03 -0.51 4.01 4.74 3ga0A1 GLY 61 HA3 -0.01 -0.02 0.31 -0.51 4.01 3.78 3ga0A1 ALA 62 H -0.07 0.59 0.34 -0.55 8.40 8.71 3ga0A1 ALA 62 HA -0.01 0.16 1.09 -0.75 4.34 4.82 3ga0A1 ALA 62 HB3 -0.12 -0.00 0.03 -0.04 1.41 1.28 3ga0A1 LEU 63 H -0.00 0.69 0.28 -0.55 8.37 8.78 3ga0A1 LEU 63 HA -0.08 0.37 0.99 -0.75 4.35 4.88 3ga0A1 LEU 63 HB2 -0.00 -0.04 -0.02 -0.04 1.64 1.54 3ga0A1 LEU 63 HB3 -0.08 -0.07 -0.05 -0.04 1.64 1.41 3ga0A1 LEU 63 HG -0.04 0.03 -0.30 -0.04 1.64 1.29 3ga0A1 LEU 63 HD13 -0.00 0.00 -0.19 -0.04 0.93 0.70 3ga0A1 LEU 63 HD23 -0.08 0.03 -0.17 -0.04 0.89 0.63 3ga0A1 MET 64 H -0.14 0.57 0.36 -0.55 8.47 8.71 3ga0A1 MET 64 HA 0.02 -0.10 0.77 -0.75 4.52 4.45 3ga0A1 MET 64 HB2 0.02 0.01 0.05 -0.04 2.15 2.19 3ga0A1 MET 64 HB3 -0.01 0.03 -0.20 -0.04 2.03 1.80 3ga0A1 MET 64 HG2 -0.06 0.05 -0.26 -0.04 2.63 2.31 3ga0A1 MET 64 HG3 -0.04 0.01 -0.17 -0.04 2.56 2.32 3ga0A1 MET 64 HE3 0.02 0.01 -0.09 -0.04 2.10 2.00 3ga0A1 TYR 65 H 0.22 0.02 0.10 -0.55 8.29 8.08 3ga0A1 TYR 65 HA -0.03 0.27 0.87 -0.75 4.56 4.91 3ga0A1 TYR 65 HB2 -0.05 -0.01 0.20 -0.04 3.06 3.15 3ga0A1 TYR 65 HB3 0.07 -0.04 0.28 -0.04 2.98 3.24 3ga0A1 TYR 65 HD2 -0.09 -0.01 -0.01 -0.04 7.15 7.00 3ga0A1 TYR 65 HE2 -0.01 -0.02 -0.06 -0.04 6.85 6.72 3ga0A1 HIS 66 H 0.28 0.15 0.18 -0.55 8.41 8.46 3ga0A1 HIS 66 HA 0.01 0.24 0.60 -0.75 4.63 4.72 3ga0A1 HIS 66 HB2 -0.03 -0.02 0.08 -0.04 3.26 3.25 3ga0A1 HIS 66 HB3 -0.06 -0.01 0.01 -0.04 3.20 3.11 3ga0A1 HIS 66 HD2 -0.38 -0.02 -0.06 -0.04 6.97 6.46 3ga0A1 HIS 66 HE1 -0.04 0.03 0.07 -0.04 7.75 7.76 3ga0A1 THR 67 H -0.23 -0.03 -0.05 -0.55 8.28 7.42 3ga0A1 THR 67 HA -0.26 0.06 0.31 -0.75 4.39 3.75 3ga0A1 THR 67 HB -0.08 0.03 0.07 -0.04 4.32 4.30 3ga0A1 THR 67 HG23 -0.09 0.02 0.04 -0.04 1.22 1.15 3ga0A1 ILE 68 H -0.01 0.00 -0.22 -0.55 8.25 7.47 3ga0A1 ILE 68 HA 0.01 0.26 0.98 -0.75 4.18 4.68 3ga0A1 ILE 68 HB 0.02 0.14 -0.19 -0.04 1.89 1.82 3ga0A1 ILE 68 HG12 0.04 0.16 -0.40 -0.04 1.49 1.25 3ga0A1 ILE 68 HG13 0.03 0.01 -0.04 -0.04 1.21 1.17 3ga0A1 ILE 68 HG23 0.03 -0.05 -0.13 -0.04 0.93 0.74 3ga0A1 ILE 68 HD13 0.06 -0.02 -0.36 -0.04 0.88 0.53 3ga0A1 THR 69 H 0.02 0.14 0.18 -0.55 8.28 8.08 3ga0A1 THR 69 HA 0.03 0.32 0.83 -0.75 4.39 4.82 3ga0A1 THR 69 HB 0.03 -0.06 0.09 -0.04 4.32 4.34 3ga0A1 THR 69 HG23 0.03 -0.03 -0.16 -0.04 1.22 1.02 3ga0A1 LEU 70 H 0.03 0.76 0.25 -0.55 8.37 8.86 3ga0A1 LEU 70 HA 0.04 0.10 0.98 -0.75 4.35 4.72 3ga0A1 LEU 70 HB2 -0.01 0.01 0.14 -0.04 1.64 1.74 3ga0A1 LEU 70 HB3 -0.00 0.02 -0.07 -0.04 1.64 1.55 3ga0A1 LEU 70 HG 0.02 0.03 -0.34 -0.04 1.64 1.31 3ga0A1 LEU 70 HD13 -0.11 0.01 -0.15 -0.04 0.93 0.65 3ga0A1 LEU 70 HD23 0.11 0.03 -0.11 -0.04 0.89 0.88 3ga0A1 THR 71 H 0.04 0.15 0.10 -0.55 8.28 8.02 3ga0A1 THR 71 HA 0.02 0.18 0.80 -0.75 4.39 4.63 3ga0A1 THR 71 HB 0.02 -0.00 0.14 -0.04 4.32 4.43 3ga0A1 THR 71 HG23 0.02 0.05 -0.11 -0.04 1.22 1.13 3ga0A1 ARG 72 H 0.01 0.17 0.15 -0.55 8.46 8.24 3ga0A1 ARG 72 HA 0.02 0.15 0.39 -0.75 4.34 4.15 3ga0A1 ARG 72 HB2 0.01 0.00 0.13 -0.04 1.90 2.00 3ga0A1 ARG 72 HB3 0.01 -0.06 0.15 -0.04 1.80 1.86 3ga0A1 ARG 72 HG2 0.01 0.02 -0.04 -0.04 1.67 1.63 3ga0A1 ARG 72 HG3 0.02 0.04 -0.36 -0.04 1.67 1.33 3ga0A1 ARG 72 HD2 0.02 0.05 -0.01 -0.04 3.22 3.24 3ga0A1 ARG 72 HD3 0.01 -0.05 0.01 -0.04 3.22 3.15 3ga0A1 GLU 73 H 0.02 0.03 -0.19 -0.55 8.60 7.92 3ga0A1 GLU 73 HA 0.02 0.16 0.40 -0.75 4.29 4.12 3ga0A1 GLU 73 HB2 0.02 -0.13 0.06 -0.04 2.09 2.01 3ga0A1 GLU 73 HB3 0.02 0.07 -0.09 -0.04 1.99 1.95 3ga0A1 GLU 73 HG2 0.01 0.09 0.03 -0.04 2.34 2.42 3ga0A1 GLU 73 HG3 0.01 -0.04 0.02 -0.04 2.34 2.30 3ga0A1 ASP 74 H 0.05 -0.03 -0.20 -0.55 8.40 7.67 3ga0A1 ASP 74 HA 0.08 0.08 0.42 -0.75 4.63 4.45 3ga0A1 ASP 74 HB2 0.10 0.06 0.12 -0.04 2.71 2.95 3ga0A1 ASP 74 HB3 0.18 0.05 0.04 -0.04 2.70 2.94 3ga0A1 LEU 75 H 0.08 0.43 -0.18 -0.55 8.37 8.15 3ga0A1 LEU 75 HA 0.19 0.04 0.39 -0.75 4.35 4.22 3ga0A1 LEU 75 HB2 0.04 -0.01 0.05 -0.04 1.64 1.68 3ga0A1 LEU 75 HB3 0.02 0.11 -0.06 -0.04 1.64 1.67 3ga0A1 LEU 75 HG 0.02 -0.10 -0.20 -0.04 1.64 1.32 3ga0A1 LEU 75 HD13 -0.01 -0.06 -0.40 -0.04 0.93 0.42 3ga0A1 LEU 75 HD23 -0.10 0.01 -0.11 -0.04 0.89 0.66 3ga0A1 GLU 76 H 0.07 0.53 -0.07 -0.55 8.60 8.58 3ga0A1 GLU 76 HA 0.05 0.09 0.37 -0.75 4.29 4.05 3ga0A1 GLU 76 HB2 0.03 0.05 0.12 -0.04 2.09 2.25 3ga0A1 GLU 76 HB3 0.02 -0.02 0.00 -0.04 1.99 1.96 3ga0A1 GLU 76 HG2 0.02 0.04 0.03 -0.04 2.34 2.40 3ga0A1 GLU 76 HG3 0.03 0.02 0.02 -0.04 2.34 2.37 3ga0A1 LYS 77 H 0.09 0.12 -0.72 -0.55 8.42 7.36 3ga0A1 LYS 77 HA -0.02 0.03 0.36 -0.75 4.32 3.94 3ga0A1 LYS 77 HB2 -0.09 0.18 0.12 -0.04 1.87 2.04 3ga0A1 LYS 77 HB3 -0.17 -0.08 -0.00 -0.04 1.79 1.50 3ga0A1 LYS 77 HG2 -0.04 -0.04 -0.02 -0.04 1.46 1.32 3ga0A1 LYS 77 HG3 -0.00 0.18 0.02 -0.04 1.46 1.62 3ga0A1 LYS 77 HD2 -0.02 -0.08 -0.01 -0.04 1.69 1.54 3ga0A1 LYS 77 HD3 -0.07 -0.00 -0.03 -0.04 1.68 1.53 3ga0A1 LYS 77 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.89 3ga0A1 LYS 77 HE3 -0.00 0.04 -0.10 -0.04 2.99 2.88 3ga0A1 PHE 78 H 0.32 0.18 -0.08 -0.55 8.34 8.21 3ga0A1 PHE 78 HA -0.00 0.18 0.64 -0.75 4.62 4.69 3ga0A1 PHE 78 HB2 -0.00 0.12 0.15 -0.04 3.15 3.37 3ga0A1 PHE 78 HB3 -0.00 -0.04 0.04 -0.04 3.06 3.01 3ga0A1 PHE 78 HD2 -0.00 0.16 0.09 -0.04 7.28 7.49 3ga0A1 PHE 78 HE2 -0.00 -0.09 -0.12 -0.04 7.38 7.12 3ga0A1 PHE 78 HZ -0.00 -0.11 -0.10 -0.04 7.32 7.07 3ga0A1 LYS 79 H 0.08 0.49 0.34 -0.55 8.42 8.77 3ga0A1 LYS 79 HA 0.05 0.21 0.67 -0.75 4.32 4.49 3ga0A1 LYS 79 HB2 0.01 0.04 0.25 -0.04 1.87 2.14 3ga0A1 LYS 79 HB3 0.01 -0.03 0.07 -0.04 1.79 1.80 3ga0A1 LYS 79 HG2 0.01 0.02 -0.03 -0.04 1.46 1.42 3ga0A1 LYS 79 HG3 -0.01 0.15 -0.05 -0.04 1.46 1.51 3ga0A1 LYS 79 HD2 -0.02 -0.06 0.08 -0.04 1.69 1.65 3ga0A1 LYS 79 HD3 -0.01 -0.02 0.05 -0.04 1.68 1.67 3ga0A1 LYS 79 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 3ga0A1 LYS 79 HE3 -0.02 0.04 0.00 -0.04 2.99 2.97 3ga0A1 ALA 80 H 0.09 0.07 -0.06 -0.55 8.40 7.96 3ga0A1 ALA 80 HA 0.04 0.21 0.86 -0.75 4.34 4.69 3ga0A1 ALA 80 HB3 0.03 -0.00 0.01 -0.04 1.41 1.41 3ga0A1 LEU 81 H 0.09 0.06 -0.31 -0.55 8.37 7.65 3ga0A1 LEU 81 HA 0.02 0.23 0.40 -0.75 4.35 4.25 3ga0A1 LEU 81 HB2 0.11 -0.06 -0.03 -0.04 1.64 1.61 3ga0A1 LEU 81 HB3 -0.00 0.04 -0.06 -0.04 1.64 1.58 3ga0A1 LEU 81 HG -0.14 -0.05 -0.39 -0.04 1.64 1.02 3ga0A1 LEU 81 HD13 -0.09 0.05 -0.28 -0.04 0.93 0.58 3ga0A1 LEU 81 HD23 -0.69 -0.04 -0.15 -0.04 0.89 -0.03 3ga0A1 ARG 82 H -0.02 0.68 0.45 -0.55 8.46 9.03 3ga0A1 ARG 82 HA -0.01 0.22 0.86 -0.75 4.34 4.65 3ga0A1 ARG 82 HB2 0.00 0.13 0.15 -0.04 1.90 2.14 3ga0A1 ARG 82 HB3 -0.01 -0.08 0.12 -0.04 1.80 1.79 3ga0A1 ARG 82 HG2 -0.01 -0.08 0.01 -0.04 1.67 1.55 3ga0A1 ARG 82 HG3 -0.01 -0.01 0.15 -0.04 1.67 1.76 3ga0A1 ARG 82 HD2 0.00 0.04 0.03 -0.04 3.22 3.25 3ga0A1 ARG 82 HD3 0.01 0.07 0.03 -0.04 3.22 3.28 3ga0A1 ILE 83 H -0.05 0.37 0.37 -0.55 8.25 8.39 3ga0A1 ILE 83 HA -0.07 0.30 0.92 -0.75 4.18 4.58 3ga0A1 ILE 83 HB -0.04 0.06 -0.14 -0.04 1.89 1.72 3ga0A1 ILE 83 HG12 -0.06 -0.15 -0.32 -0.04 1.49 0.92 3ga0A1 ILE 83 HG13 -0.07 0.35 0.04 -0.04 1.21 1.49 3ga0A1 ILE 83 HG23 -0.03 -0.02 -0.02 -0.04 0.93 0.81 3ga0A1 ILE 83 HD13 -0.05 -0.03 -0.19 -0.04 0.88 0.56 3ga0A1 ILE 84 H -0.10 0.58 0.19 -0.55 8.25 8.37 3ga0A1 ILE 84 HA -0.11 0.17 0.88 -0.75 4.18 4.37 3ga0A1 ILE 84 HB -0.12 -0.06 0.06 -0.04 1.89 1.72 3ga0A1 ILE 84 HG12 -0.26 0.02 -0.12 -0.04 1.49 1.09 3ga0A1 ILE 84 HG13 -0.17 0.00 -0.54 -0.04 1.21 0.46 3ga0A1 ILE 84 HG23 -0.11 -0.03 -0.25 -0.04 0.93 0.50 3ga0A1 ILE 84 HD13 -0.21 -0.00 -0.18 -0.04 0.88 0.46 3ga0A1 VAL 85 H -0.08 0.88 0.30 -0.55 8.24 8.78 3ga0A1 VAL 85 HA -0.08 0.06 0.91 -0.75 4.13 4.27 3ga0A1 VAL 85 HB -0.07 0.03 0.08 -0.04 2.12 2.12 3ga0A1 VAL 85 HG13 -0.07 -0.00 -0.23 -0.04 0.97 0.62 3ga0A1 VAL 85 HG23 -0.06 -0.01 -0.20 -0.04 0.95 0.64 3ga0A1 ARG 86 H -0.07 0.51 0.17 -0.55 8.46 8.52 3ga0A1 ARG 86 HA -0.11 0.20 0.84 -0.75 4.34 4.52 3ga0A1 ARG 86 HB2 -0.01 -0.02 -0.01 -0.04 1.90 1.82 3ga0A1 ARG 86 HB3 -0.00 0.16 0.25 -0.04 1.80 2.17 3ga0A1 ARG 86 HG2 0.08 0.08 -0.28 -0.04 1.67 1.51 3ga0A1 ARG 86 HG3 -0.03 -0.10 -0.56 -0.04 1.67 0.94 3ga0A1 ARG 86 HD2 -0.07 0.23 -0.03 -0.04 3.22 3.30 3ga0A1 ARG 86 HD3 0.02 -0.00 -0.20 -0.04 3.22 3.00 3ga0A1 ILE 87 H -0.29 0.76 0.31 -0.55 8.25 8.47 3ga0A1 ILE 87 HA -0.19 0.06 0.64 -0.75 4.18 3.94 3ga0A1 ILE 87 HB -1.07 -0.05 0.12 -0.04 1.89 0.84 3ga0A1 ILE 87 HG12 -0.24 0.03 -0.09 -0.04 1.49 1.15 3ga0A1 ILE 87 HG13 -0.40 0.05 -0.00 -0.04 1.21 0.81 3ga0A1 ILE 87 HG23 -0.20 0.00 -0.16 -0.04 0.93 0.54 3ga0A1 ILE 87 HD13 -0.46 -0.02 -0.09 -0.04 0.88 0.27 3ga0A1 GLY 88 H -0.10 0.28 0.28 -0.55 8.43 8.34 3ga0A1 GLY 88 HA2 -0.13 -0.04 0.36 -0.51 4.01 3.69 3ga0A1 GLY 88 HA3 -0.18 0.12 0.57 -0.51 4.01 4.01 3ga0A1 SER 89 H -0.07 0.02 0.09 -0.55 8.46 7.96 3ga0A1 SER 89 HA 0.03 0.14 0.36 -0.75 4.49 4.26 3ga0A1 SER 89 HB2 -0.01 0.01 0.07 -0.04 3.95 3.98 3ga0A1 SER 89 HB3 -0.03 -0.13 0.15 -0.04 3.93 3.89 3ga0A1 GLY 90 H -0.05 0.02 0.05 -0.55 8.43 7.90 3ga0A1 GLY 90 HA2 -0.29 0.02 0.28 -0.51 4.01 3.51 3ga0A1 GLY 90 HA3 -0.10 -0.03 0.28 -0.51 4.01 3.65 3ga0A1 PHE 91 H -0.74 0.11 0.13 -0.55 8.34 7.28 3ga0A1 PHE 91 HA -0.01 0.23 0.77 -0.75 4.62 4.85 3ga0A1 PHE 91 HB2 -0.03 0.01 0.12 -0.04 3.15 3.21 3ga0A1 PHE 91 HB3 -0.04 0.16 -0.11 -0.04 3.06 3.03 3ga0A1 PHE 91 HD2 -0.03 0.13 -0.08 -0.04 7.28 7.25 3ga0A1 PHE 91 HE2 -0.02 0.01 -0.04 -0.04 7.38 7.28 3ga0A1 PHE 91 HZ -0.02 0.02 -0.01 -0.04 7.32 7.28 3ga0A1 ASP 92 H -0.11 0.02 0.02 -0.55 8.40 7.78 3ga0A1 ASP 92 HA 0.02 0.20 0.61 -0.75 4.63 4.70 3ga0A1 ASP 92 HB2 0.02 0.04 0.03 -0.04 2.71 2.76 3ga0A1 ASP 92 HB3 -0.06 0.05 0.20 -0.04 2.70 2.86 3ga0A1 ASN 93 H 0.06 0.06 -0.31 -0.55 8.53 7.79 3ga0A1 ASN 93 HA 0.05 0.07 0.47 -0.75 4.76 4.60 3ga0A1 ASN 93 HB2 0.05 0.16 0.07 -0.04 2.88 3.12 3ga0A1 ASN 93 HB3 0.07 -0.03 -0.00 -0.04 2.79 2.79 3ga0A1 ASN 93 HD21 0.06 0.12 -0.06 -0.04 7.03 7.12 3ga0A1 ASN 93 HD22 0.05 0.15 -0.00 -0.04 7.74 7.90 3ga0A1 ILE 94 H 0.08 0.28 -1.03 -0.55 8.25 7.03 3ga0A1 ILE 94 HA 0.02 0.14 0.85 -0.75 4.18 4.44 3ga0A1 ILE 94 HB 0.09 0.14 0.02 -0.04 1.89 2.11 3ga0A1 ILE 94 HG12 -0.01 0.04 -0.14 -0.04 1.49 1.34 3ga0A1 ILE 94 HG13 0.04 -0.10 -0.81 -0.04 1.21 0.30 3ga0A1 ILE 94 HG23 -0.04 -0.03 -0.31 -0.04 0.93 0.51 3ga0A1 ILE 94 HD13 0.03 -0.01 -0.13 -0.04 0.88 0.73 3ga0A1 ASP 95 H 0.01 0.65 0.18 -0.55 8.40 8.69 3ga0A1 ASP 95 HA 0.00 0.07 0.77 -0.75 4.63 4.72 3ga0A1 ASP 95 HB2 0.00 0.04 0.21 -0.04 2.71 2.92 3ga0A1 ASP 95 HB3 -0.01 0.05 0.16 -0.04 2.70 2.86 3ga0A1 ILE 96 H -0.02 0.34 0.10 -0.55 8.25 8.13 3ga0A1 ILE 96 HA -0.12 0.14 0.24 -0.75 4.18 3.68 3ga0A1 ILE 96 HB -0.23 0.01 -0.00 -0.04 1.89 1.63 3ga0A1 ILE 96 HG12 0.02 0.02 0.08 -0.04 1.49 1.57 3ga0A1 ILE 96 HG13 -0.27 -0.06 -0.07 -0.04 1.21 0.77 3ga0A1 ILE 96 HG23 -0.07 0.07 -0.04 -0.04 0.93 0.85 3ga0A1 ILE 96 HD13 -0.11 -0.00 -0.03 -0.04 0.88 0.70 3ga0A1 LYS 97 H -0.16 0.04 -0.09 -0.55 8.42 7.66 3ga0A1 LYS 97 HA -0.56 0.13 0.46 -0.75 4.32 3.59 3ga0A1 LYS 97 HB2 -0.04 -0.14 0.14 -0.04 1.87 1.80 3ga0A1 LYS 97 HB3 0.04 0.12 0.01 -0.04 1.79 1.92 3ga0A1 LYS 97 HG2 0.13 0.08 0.05 -0.04 1.46 1.67 3ga0A1 LYS 97 HG3 -0.08 -0.07 0.09 -0.04 1.46 1.36 3ga0A1 LYS 97 HD2 0.03 -0.04 0.05 -0.04 1.69 1.69 3ga0A1 LYS 97 HD3 0.08 0.07 0.02 -0.04 1.68 1.82 3ga0A1 LYS 97 HE2 0.15 0.05 0.02 -0.04 2.99 3.17 3ga0A1 LYS 97 HE3 0.08 -0.06 0.05 -0.04 2.99 3.01 3ga0A1 SER 98 H -0.04 0.03 -0.11 -0.55 8.46 7.80 3ga0A1 SER 98 HA 0.01 0.13 0.27 -0.75 4.49 4.14 3ga0A1 SER 98 HB2 -0.00 -0.11 0.11 -0.04 3.95 3.91 3ga0A1 SER 98 HB3 -0.00 0.03 -0.04 -0.04 3.93 3.88 3ga0A1 ALA 99 H -0.06 0.20 -0.49 -0.55 8.40 7.50 3ga0A1 ALA 99 HA -0.03 0.07 0.48 -0.75 4.34 4.11 3ga0A1 ALA 99 HB3 -0.08 0.01 -0.02 -0.04 1.41 1.29 3ga0A1 GLY 100 H -0.05 0.38 -0.07 -0.55 8.43 8.13 3ga0A1 GLY 100 HA2 -0.01 0.13 0.46 -0.51 4.01 4.07 3ga0A1 GLY 100 HA3 0.02 0.03 0.18 -0.51 4.01 3.73 3ga0A1 ASP 101 H 0.02 0.31 -0.03 -0.55 8.40 8.14 3ga0A1 ASP 101 HA 0.03 0.09 0.48 -0.75 4.63 4.48 3ga0A1 ASP 101 HB2 0.02 -0.06 0.10 -0.04 2.71 2.73 3ga0A1 ASP 101 HB3 0.02 -0.01 0.05 -0.04 2.70 2.72 3ga0A1 LEU 102 H 0.00 0.14 -0.75 -0.55 8.37 7.22 3ga0A1 LEU 102 HA 0.01 0.16 0.82 -0.75 4.35 4.59 3ga0A1 LEU 102 HB2 0.00 0.04 0.06 -0.04 1.64 1.71 3ga0A1 LEU 102 HB3 0.01 0.08 0.07 -0.04 1.64 1.77 3ga0A1 LEU 102 HG 0.01 0.01 -0.08 -0.04 1.64 1.55 3ga0A1 LEU 102 HD13 0.03 -0.01 -0.18 -0.04 0.93 0.73 3ga0A1 LEU 102 HD23 0.02 0.01 -0.01 -0.04 0.89 0.87 3ga0A1 GLY 103 H 0.00 0.27 -0.26 -0.55 8.43 7.89 3ga0A1 GLY 103 HA2 -0.00 -0.23 0.35 -0.51 4.01 3.62 3ga0A1 GLY 103 HA3 -0.00 0.23 0.70 -0.51 4.01 4.43 3ga0A1 ILE 104 H -0.02 0.36 -0.02 -0.55 8.25 8.01 3ga0A1 ILE 104 HA -0.04 0.38 0.65 -0.75 4.18 4.42 3ga0A1 ILE 104 HB -0.07 -0.14 -0.07 -0.04 1.89 1.57 3ga0A1 ILE 104 HG12 -0.04 0.26 -0.32 -0.04 1.49 1.35 3ga0A1 ILE 104 HG13 -0.02 0.00 -0.23 -0.04 1.21 0.92 3ga0A1 ILE 104 HG23 -0.10 -0.05 -0.58 -0.04 0.93 0.16 3ga0A1 ILE 104 HD13 -0.05 -0.03 -0.09 -0.04 0.88 0.67 3ga0A1 ALA 105 H -0.04 0.60 0.31 -0.55 8.40 8.72 3ga0A1 ALA 105 HA -0.06 0.03 0.67 -0.75 4.34 4.23 3ga0A1 ALA 105 HB3 -0.05 -0.00 0.08 -0.04 1.41 1.40 3ga0A1 VAL 106 H -0.11 0.09 0.19 -0.55 8.24 7.85 3ga0A1 VAL 106 HA -0.12 0.38 1.01 -0.75 4.13 4.64 3ga0A1 VAL 106 HB -0.21 -0.12 0.08 -0.04 2.12 1.83 3ga0A1 VAL 106 HG13 -0.20 0.02 -0.04 -0.04 0.97 0.71 3ga0A1 VAL 106 HG23 -0.12 0.04 -0.20 -0.04 0.95 0.63 3ga0A1 CYS 107 H -0.13 0.51 0.38 -0.55 8.50 8.72 3ga0A1 CYS 107 HA -0.16 0.14 0.99 -0.75 4.58 4.80 3ga0A1 CYS 107 HB2 -0.08 -0.06 -0.02 -0.04 2.97 2.77 3ga0A1 CYS 107 HB3 -0.07 0.06 0.02 -0.04 2.97 2.94 3ga0A1 ASN 108 H -0.06 0.55 0.35 -0.55 8.53 8.82 3ga0A1 ASN 108 HA -0.03 0.19 0.71 -0.75 4.76 4.88 3ga0A1 ASN 108 HB2 0.12 0.25 0.22 -0.04 2.88 3.42 3ga0A1 ASN 108 HB3 0.11 -0.05 -0.17 -0.04 2.79 2.64 3ga0A1 ASN 108 HD21 0.20 -0.15 -0.08 -0.04 7.03 6.96 3ga0A1 ASN 108 HD22 0.27 0.75 0.11 -0.04 7.74 8.83 3ga0A1 VAL 109 H -0.01 0.77 0.31 -0.55 8.24 8.76 3ga0A1 VAL 109 HA -0.01 0.21 0.94 -0.75 4.13 4.52 3ga0A1 VAL 109 HB -0.04 -0.17 0.25 -0.04 2.12 2.13 3ga0A1 VAL 109 HG13 -0.01 -0.07 0.04 -0.04 0.97 0.89 3ga0A1 VAL 109 HG23 -0.05 0.12 0.03 -0.04 0.95 1.01 3ga0A1 PRO 110 HA 0.03 0.06 0.23 -0.51 4.44 4.24 3ga0A1 PRO 110 HB2 0.02 0.00 -0.02 -0.04 2.28 2.24 3ga0A1 PRO 110 HB3 0.04 0.07 0.03 -0.04 2.02 2.12 3ga0A1 PRO 110 HG2 0.01 0.00 0.04 -0.04 2.03 2.04 3ga0A1 PRO 110 HG3 0.01 0.14 0.04 -0.04 2.03 2.18 3ga0A1 PRO 110 HD2 0.00 0.05 0.19 -0.04 3.68 3.87 3ga0A1 PRO 110 HD3 0.01 0.38 0.03 -0.04 3.65 4.03 3ga0A1 ALA 111 H 0.01 0.05 -0.23 -0.55 8.40 7.68 3ga0A1 ALA 111 HA 0.01 0.18 0.44 -0.75 4.34 4.22 3ga0A1 ALA 111 HB3 0.01 0.04 -0.02 -0.04 1.41 1.39 3ga0A1 ALA 112 H 0.02 0.07 -0.03 -0.55 8.40 7.91 3ga0A1 ALA 112 HA 0.03 0.10 0.22 -0.75 4.34 3.94 3ga0A1 ALA 112 HB3 0.05 0.03 0.10 -0.04 1.41 1.55 3ga0A1 SER 113 H 0.06 0.11 -0.19 -0.55 8.46 7.90 3ga0A1 SER 113 HA 0.08 0.18 0.71 -0.75 4.49 4.70 3ga0A1 SER 113 HB2 0.23 0.03 0.24 -0.04 3.95 4.40 3ga0A1 SER 113 HB3 0.27 0.08 0.02 -0.04 3.93 4.25 3ga0A1 VAL 114 H 0.02 0.60 -0.27 -0.55 8.24 8.05 3ga0A1 VAL 114 HA 0.01 0.01 0.36 -0.75 4.13 3.75 3ga0A1 VAL 114 HB -0.00 0.13 0.16 -0.04 2.12 2.37 3ga0A1 VAL 114 HG13 -0.03 -0.01 -0.14 -0.04 0.97 0.75 3ga0A1 VAL 114 HG23 -0.00 -0.02 0.11 -0.04 0.95 1.00 3ga0A1 GLU 115 H 0.00 0.20 -0.05 -0.55 8.60 8.21 3ga0A1 GLU 115 HA -0.02 0.10 0.53 -0.75 4.29 4.15 3ga0A1 GLU 115 HB2 -0.01 0.02 0.08 -0.04 2.09 2.14 3ga0A1 GLU 115 HB3 -0.01 0.07 -0.02 -0.04 1.99 1.98 3ga0A1 GLU 115 HG2 -0.02 0.03 -0.03 -0.04 2.34 2.28 3ga0A1 GLU 115 HG3 -0.01 -0.06 -0.04 -0.04 2.34 2.19 3ga0A1 GLU 116 H 0.01 0.07 -0.18 -0.55 8.60 7.95 3ga0A1 GLU 116 HA -0.03 0.06 0.47 -0.75 4.29 4.03 3ga0A1 GLU 116 HB2 0.04 -0.09 0.13 -0.04 2.09 2.12 3ga0A1 GLU 116 HB3 -0.01 0.26 -0.11 -0.04 1.99 2.09 3ga0A1 GLU 116 HG2 -0.10 0.06 -0.17 -0.04 2.34 2.09 3ga0A1 GLU 116 HG3 -0.06 -0.01 0.01 -0.04 2.34 2.24 3ga0A1 THR 117 H 0.03 0.45 -0.29 -0.55 8.28 7.92 3ga0A1 THR 117 HA 0.05 0.09 0.26 -0.75 4.39 4.03 3ga0A1 THR 117 HB 0.01 0.09 0.10 -0.04 4.32 4.47 3ga0A1 THR 117 HG23 0.06 -0.04 -0.11 -0.04 1.22 1.09 3ga0A1 ALA 118 H -0.03 0.38 -0.11 -0.55 8.40 8.09 3ga0A1 ALA 118 HA -0.08 0.00 0.35 -0.75 4.34 3.86 3ga0A1 ALA 118 HB3 -0.07 0.03 -0.01 -0.04 1.41 1.32 3ga0A1 ASP 119 H -0.02 0.42 -0.44 -0.55 8.40 7.81 3ga0A1 ASP 119 HA -0.02 0.07 0.54 -0.75 4.63 4.46 3ga0A1 ASP 119 HB2 -0.04 0.13 0.17 -0.04 2.71 2.94 3ga0A1 ASP 119 HB3 -0.04 -0.03 0.01 -0.04 2.70 2.60 3ga0A1 SER 120 H -0.03 0.60 0.03 -0.55 8.46 8.52 3ga0A1 SER 120 HA -0.13 0.03 0.43 -0.75 4.49 4.07 3ga0A1 SER 120 HB2 0.01 0.06 0.17 -0.04 3.95 4.15 3ga0A1 SER 120 HB3 -0.05 -0.11 0.03 -0.04 3.93 3.76 3ga0A1 THR 121 H 0.02 0.49 -0.40 -0.55 8.28 7.84 3ga0A1 THR 121 HA 0.14 -0.04 0.32 -0.75 4.39 4.06 3ga0A1 THR 121 HB 0.01 0.19 0.11 -0.04 4.32 4.59 3ga0A1 THR 121 HG23 0.16 -0.02 -0.16 -0.04 1.22 1.16 3ga0A1 LEU 122 H -0.02 0.57 -0.09 -0.55 8.37 8.27 3ga0A1 LEU 122 HA -0.08 0.00 0.39 -0.75 4.35 3.90 3ga0A1 LEU 122 HB2 -0.03 0.12 0.21 -0.04 1.64 1.90 3ga0A1 LEU 122 HB3 -0.10 -0.00 -0.04 -0.04 1.64 1.45 3ga0A1 LEU 122 HG 0.03 -0.00 -0.02 -0.04 1.64 1.60 3ga0A1 LEU 122 HD13 -0.24 -0.01 -0.06 -0.04 0.93 0.58 3ga0A1 LEU 122 HD23 -0.02 0.04 0.04 -0.04 0.89 0.92 3ga0A1 CYS 123 H -0.08 0.74 -0.18 -0.55 8.50 8.42 3ga0A1 CYS 123 HA -0.12 -0.00 0.37 -0.75 4.58 4.07 3ga0A1 CYS 123 HB2 -0.13 0.07 0.09 -0.04 2.97 2.96 3ga0A1 CYS 123 HB3 -0.26 0.14 0.15 -0.04 2.97 2.96 3ga0A1 HIS 124 H -0.11 0.71 -0.14 -0.55 8.41 8.32 3ga0A1 HIS 124 HA -0.14 -0.05 0.28 -0.75 4.63 3.97 3ga0A1 HIS 124 HB2 -0.07 0.15 0.16 -0.04 3.26 3.47 3ga0A1 HIS 124 HB3 -0.09 -0.04 -0.07 -0.04 3.20 2.95 3ga0A1 HIS 124 HD2 -0.05 -0.06 -0.25 -0.04 6.97 6.57 3ga0A1 HIS 124 HE1 -0.08 0.00 -0.27 -0.04 7.75 7.36 3ga0A1 ILE 125 H -0.00 0.61 -0.11 -0.55 8.25 8.20 3ga0A1 ILE 125 HA -0.04 0.01 0.36 -0.75 4.18 3.76 3ga0A1 ILE 125 HB -0.06 0.10 0.15 -0.04 1.89 2.03 3ga0A1 ILE 125 HG12 -0.06 -0.02 -0.10 -0.04 1.49 1.28 3ga0A1 ILE 125 HG13 -0.02 0.01 -0.04 -0.04 1.21 1.11 3ga0A1 ILE 125 HG23 0.07 0.00 -0.20 -0.04 0.93 0.76 3ga0A1 ILE 125 HD13 -0.12 -0.02 -0.17 -0.04 0.88 0.53 3ga0A1 LEU 126 H -0.09 0.76 -0.07 -0.55 8.37 8.42 3ga0A1 LEU 126 HA -0.03 0.03 0.46 -0.75 4.35 4.06 3ga0A1 LEU 126 HB2 -0.11 0.12 0.13 -0.04 1.64 1.73 3ga0A1 LEU 126 HB3 -0.09 -0.07 0.02 -0.04 1.64 1.46 3ga0A1 LEU 126 HG -0.29 0.12 0.02 -0.04 1.64 1.45 3ga0A1 LEU 126 HD13 -0.19 -0.02 -0.09 -0.04 0.93 0.58 3ga0A1 LEU 126 HD23 -0.42 -0.01 -0.02 -0.04 0.89 0.40 3ga0A1 ASN 127 H -0.12 0.64 -0.13 -0.55 8.53 8.37 3ga0A1 ASN 127 HA -0.15 -0.12 0.50 -0.75 4.76 4.24 3ga0A1 ASN 127 HB2 -0.18 0.14 0.10 -0.04 2.88 2.90 3ga0A1 ASN 127 HB3 -0.33 -0.10 -0.01 -0.04 2.79 2.31 3ga0A1 ASN 127 HD21 -0.18 -0.06 -0.11 -0.04 7.03 6.65 3ga0A1 ASN 127 HD22 -0.22 0.02 -0.45 -0.04 7.74 7.04 3ga0A1 LEU 128 H -0.21 0.46 -0.26 -0.55 8.37 7.80 3ga0A1 LEU 128 HA -0.32 0.07 0.60 -0.75 4.35 3.94 3ga0A1 LEU 128 HB2 -0.55 0.10 0.10 -0.04 1.64 1.25 3ga0A1 LEU 128 HB3 -0.37 0.06 -0.07 -0.04 1.64 1.22 3ga0A1 LEU 128 HG -0.18 0.04 -0.08 -0.04 1.64 1.38 3ga0A1 LEU 128 HD13 0.01 -0.03 -0.19 -0.04 0.93 0.68 3ga0A1 LEU 128 HD23 0.12 -0.01 -0.36 -0.04 0.89 0.60 3ga0A1 TYR 129 H -0.17 0.44 0.01 -0.55 8.29 8.02 3ga0A1 TYR 129 HA -0.24 0.13 0.41 -0.75 4.56 4.11 3ga0A1 TYR 129 HB2 -0.16 0.01 0.16 -0.04 3.06 3.04 3ga0A1 TYR 129 HB3 -0.09 0.02 -0.02 -0.04 2.98 2.86 3ga0A1 TYR 129 HD2 -0.06 0.07 -0.05 -0.04 7.15 7.07 3ga0A1 TYR 129 HE2 0.15 -0.02 -0.09 -0.04 6.85 6.85 3ga0A1 ARG 130 H 0.00 0.39 -0.16 -0.55 8.46 8.14 3ga0A1 ARG 130 HA 0.07 0.19 0.79 -0.75 4.34 4.64 3ga0A1 ARG 130 HB2 -0.01 -0.05 0.07 -0.04 1.90 1.88 3ga0A1 ARG 130 HB3 0.02 -0.05 0.11 -0.04 1.80 1.84 3ga0A1 ARG 130 HG2 0.03 -0.05 -0.06 -0.04 1.67 1.55 3ga0A1 ARG 130 HG3 -0.01 -0.07 0.04 -0.04 1.67 1.59 3ga0A1 ARG 130 HD2 0.01 -0.04 0.00 -0.04 3.22 3.15 3ga0A1 ARG 130 HD3 0.02 -0.05 0.02 -0.04 3.22 3.17 3ga0A1 ARG 131 H -0.00 0.19 -0.38 -0.55 8.46 7.71 3ga0A1 ARG 131 HA 0.09 0.15 0.36 -0.75 4.34 4.19 3ga0A1 ARG 131 HB2 0.19 0.05 0.04 -0.04 1.90 2.14 3ga0A1 ARG 131 HB3 0.44 -0.07 0.08 -0.04 1.80 2.22 3ga0A1 ARG 131 HG2 0.29 0.21 -0.23 -0.04 1.67 1.90 3ga0A1 ARG 131 HG3 0.17 -0.05 -0.63 -0.04 1.67 1.12 3ga0A1 ARG 131 HD2 0.16 0.03 -0.66 -0.04 3.22 2.71 3ga0A1 ARG 131 HD3 0.19 -0.11 -0.27 -0.04 3.22 2.99 3ga0A1 THR 132 H -0.03 0.10 -0.35 -0.55 8.28 7.45 3ga0A1 THR 132 HA 0.03 0.13 0.20 -0.75 4.39 4.00 3ga0A1 THR 132 HB -0.07 -0.09 0.05 -0.04 4.32 4.17 3ga0A1 THR 132 HG23 -0.03 -0.00 -0.11 -0.04 1.22 1.04 3ga0A1 THR 133 H -0.16 0.13 -0.12 -0.55 8.28 7.58 3ga0A1 THR 133 HA 0.00 0.07 0.45 -0.75 4.39 4.15 3ga0A1 THR 133 HB -0.41 0.02 0.07 -0.04 4.32 3.96 3ga0A1 THR 133 HG23 -0.05 0.01 -0.10 -0.04 1.22 1.03 3ga0A1 TRP 134 H -0.13 0.16 -0.11 -0.55 7.97 7.34 3ga0A1 TRP 134 HA 0.05 -0.00 0.41 -0.75 4.62 4.33 3ga0A1 TRP 134 HB2 0.05 0.15 0.12 -0.04 3.23 3.51 3ga0A1 TRP 134 HB3 0.04 0.06 0.03 -0.04 3.23 3.31 3ga0A1 TRP 134 HD1 0.07 -0.01 -0.02 -0.04 7.22 7.22 3ga0A1 TRP 134 HE1 0.09 -0.02 -0.24 -0.04 10.20 9.99 3ga0A1 TRP 134 HE3 0.06 0.08 0.06 -0.04 7.59 7.75 3ga0A1 TRP 134 HZ2 0.07 -0.01 -0.56 -0.04 7.44 6.89 3ga0A1 TRP 134 HZ3 0.13 0.20 0.06 -0.04 7.13 7.47 3ga0A1 TRP 134 HH2 0.12 0.02 -0.04 -0.04 7.19 7.25 3ga0A1 LEU 135 H 0.21 0.80 -0.15 -0.55 8.37 8.69 3ga0A1 LEU 135 HA 0.13 0.06 0.47 -0.75 4.35 4.26 3ga0A1 LEU 135 HB2 0.11 0.11 0.04 -0.04 1.64 1.86 3ga0A1 LEU 135 HB3 0.10 -0.09 -0.07 -0.04 1.64 1.53 3ga0A1 LEU 135 HG 0.15 0.05 0.01 -0.04 1.64 1.82 3ga0A1 LEU 135 HD13 0.09 -0.02 -0.11 -0.04 0.93 0.85 3ga0A1 LEU 135 HD23 0.08 -0.03 -0.14 -0.04 0.89 0.76 3ga0A1 HIS 136 H 0.18 0.41 -0.19 -0.55 8.41 8.27 3ga0A1 HIS 136 HA 0.04 0.05 0.62 -0.75 4.63 4.58 3ga0A1 HIS 136 HB2 0.02 0.02 0.13 -0.04 3.26 3.39 3ga0A1 HIS 136 HB3 0.02 0.09 0.24 -0.04 3.20 3.51 3ga0A1 HIS 136 HD2 0.01 0.01 0.03 -0.04 6.97 6.98 3ga0A1 HIS 136 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.66 3ga0A1 GLN 137 H 0.14 0.70 0.08 -0.55 8.47 8.84 3ga0A1 GLN 137 HA -0.09 -0.03 0.46 -0.75 4.36 3.95 3ga0A1 GLN 137 HB2 0.12 -0.06 0.11 -0.04 2.15 2.28 3ga0A1 GLN 137 HB3 0.19 0.10 0.20 -0.04 2.02 2.47 3ga0A1 GLN 137 HG2 0.05 -0.00 -0.25 -0.04 2.40 2.16 3ga0A1 GLN 137 HG3 0.09 -0.05 0.02 -0.04 2.39 2.41 3ga0A1 GLN 137 HE21 0.06 -0.01 -0.00 -0.04 6.97 6.98 3ga0A1 GLN 137 HE22 0.06 0.01 -0.16 -0.04 7.69 7.55 3ga0A1 ALA 138 H 0.07 0.57 -0.25 -0.55 8.40 8.25 3ga0A1 ALA 138 HA 0.01 0.02 0.44 -0.75 4.34 4.06 3ga0A1 ALA 138 HB3 0.04 0.04 0.07 -0.04 1.41 1.53 3ga0A1 LEU 139 H -0.02 0.38 -0.23 -0.55 8.37 7.95 3ga0A1 LEU 139 HA -0.02 0.09 0.37 -0.75 4.35 4.05 3ga0A1 LEU 139 HB2 -0.02 0.11 0.26 -0.04 1.64 1.95 3ga0A1 LEU 139 HB3 -0.03 -0.05 -0.00 -0.04 1.64 1.51 3ga0A1 LEU 139 HG 0.01 -0.02 0.04 -0.04 1.64 1.63 3ga0A1 LEU 139 HD13 0.02 0.03 -0.05 -0.04 0.93 0.89 3ga0A1 LEU 139 HD23 0.06 -0.01 0.00 -0.04 0.89 0.90 3ga0A1 ARG 140 H -0.22 0.65 -0.04 -0.55 8.46 8.30 3ga0A1 ARG 140 HA -0.09 -0.01 0.52 -0.75 4.34 4.00 3ga0A1 ARG 140 HB2 -0.16 0.12 0.21 -0.04 1.90 2.02 3ga0A1 ARG 140 HB3 -0.08 -0.05 0.02 -0.04 1.80 1.64 3ga0A1 ARG 140 HG2 -0.23 -0.03 0.06 -0.04 1.67 1.42 3ga0A1 ARG 140 HG3 -0.63 0.02 -0.02 -0.04 1.67 1.00 3ga0A1 ARG 140 HD2 0.01 -0.05 -0.00 -0.04 3.22 3.13 3ga0A1 ARG 140 HD3 -0.05 0.00 0.01 -0.04 3.22 3.15 3ga0A1 GLU 141 H -0.05 0.64 -0.15 -0.55 8.60 8.49 3ga0A1 GLU 141 HA -0.03 0.01 0.42 -0.75 4.29 3.93 3ga0A1 GLU 141 HB2 -0.02 0.07 0.20 -0.04 2.09 2.31 3ga0A1 GLU 141 HB3 -0.02 -0.07 0.23 -0.04 1.99 2.08 3ga0A1 GLU 141 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.25 3ga0A1 GLU 141 HG3 -0.03 -0.03 0.05 -0.04 2.34 2.28 3ga0A1 GLY 142 H -0.03 0.40 -1.06 -0.55 8.43 7.20 3ga0A1 GLY 142 HA2 -0.01 0.02 0.31 -0.51 4.01 3.82 3ga0A1 GLY 142 HA3 -0.01 -0.07 0.18 -0.51 4.01 3.60 3ga0A1 THR 143 H -0.01 0.49 -0.29 -0.55 8.28 7.92 3ga0A1 THR 143 HA -0.00 0.02 0.47 -0.75 4.39 4.13 3ga0A1 THR 143 HB 0.00 -0.05 -0.24 -0.04 4.32 3.99 3ga0A1 THR 143 HG23 0.00 -0.05 -0.01 -0.04 1.22 1.12 3ga0A1 ARG 144 H 0.00 0.09 0.01 -0.55 8.46 8.01 3ga0A1 ARG 144 HA 0.00 0.21 0.66 -0.75 4.34 4.46 3ga0A1 ARG 144 HB2 0.00 -0.07 0.09 -0.04 1.90 1.88 3ga0A1 ARG 144 HB3 -0.00 0.13 -0.09 -0.04 1.80 1.79 3ga0A1 ARG 144 HG2 -0.00 -0.07 0.16 -0.04 1.67 1.72 3ga0A1 ARG 144 HG3 -0.00 -0.07 0.12 -0.04 1.67 1.68 3ga0A1 ARG 144 HD2 -0.00 -0.03 0.04 -0.04 3.22 3.18 3ga0A1 ARG 144 HD3 -0.00 -0.06 0.03 -0.04 3.22 3.15 3ga0A1 VAL 145 H 0.01 0.25 0.07 -0.55 8.24 8.03 3ga0A1 VAL 145 HA 0.01 0.01 0.47 -0.75 4.13 3.87 3ga0A1 VAL 145 HB 0.02 0.05 0.01 -0.04 2.12 2.15 3ga0A1 VAL 145 HG13 0.02 0.01 -0.24 -0.04 0.97 0.71 3ga0A1 VAL 145 HG23 0.02 0.03 -0.12 -0.04 0.95 0.84 3ga0A1 GLN 146 H 0.01 -0.03 0.17 -0.55 8.47 8.07 3ga0A1 GLN 146 HA 0.01 0.23 0.91 -0.75 4.36 4.76 3ga0A1 GLN 146 HB2 0.01 -0.07 0.13 -0.04 2.15 2.17 3ga0A1 GLN 146 HB3 0.01 -0.02 -0.01 -0.04 2.02 1.95 3ga0A1 GLN 146 HG2 0.00 -0.01 -0.07 -0.04 2.40 2.29 3ga0A1 GLN 146 HG3 0.01 0.11 -0.57 -0.04 2.39 1.89 3ga0A1 GLN 146 HE21 0.00 -0.00 -0.04 -0.04 6.97 6.88 3ga0A1 GLN 146 HE22 0.00 0.01 -0.11 -0.04 7.69 7.55 3ga0A1 SER 147 H 0.01 0.06 0.20 -0.55 8.46 8.18 3ga0A1 SER 147 HA 0.01 0.23 0.63 -0.75 4.49 4.61 3ga0A1 SER 147 HB2 0.01 -0.07 0.21 -0.04 3.95 4.05 3ga0A1 SER 147 HB3 0.01 0.14 0.14 -0.04 3.93 4.17 3ga0A1 VAL 148 H 0.01 0.20 0.20 -0.55 8.24 8.10 3ga0A1 VAL 148 HA 0.01 0.17 0.54 -0.75 4.13 4.09 3ga0A1 VAL 148 HB 0.01 -0.04 0.14 -0.04 2.12 2.19 3ga0A1 VAL 148 HG13 0.01 0.03 -0.05 -0.04 0.97 0.92 3ga0A1 VAL 148 HG23 0.01 0.03 0.09 -0.04 0.95 1.03 3ga0A1 GLU 149 H 0.01 0.09 -0.00 -0.55 8.60 8.14 3ga0A1 GLU 149 HA 0.01 0.14 0.43 -0.75 4.29 4.11 3ga0A1 GLU 149 HB2 0.01 -0.09 0.08 -0.04 2.09 2.04 3ga0A1 GLU 149 HB3 0.01 0.10 -0.02 -0.04 1.99 2.03 3ga0A1 GLU 149 HG2 0.00 0.06 0.04 -0.04 2.34 2.41 3ga0A1 GLU 149 HG3 0.01 0.07 0.05 -0.04 2.34 2.43 3ga0A1 GLN 150 H 0.01 -0.00 -0.43 -0.55 8.47 7.50 3ga0A1 GLN 150 HA 0.01 0.13 0.49 -0.75 4.36 4.23 3ga0A1 GLN 150 HB2 0.01 0.04 0.14 -0.04 2.15 2.29 3ga0A1 GLN 150 HB3 0.01 0.06 0.00 -0.04 2.02 2.05 3ga0A1 GLN 150 HG2 0.00 0.12 0.06 -0.04 2.40 2.54 3ga0A1 GLN 150 HG3 0.01 -0.05 0.03 -0.04 2.39 2.34 3ga0A1 GLN 150 HE21 0.00 0.08 0.08 -0.04 6.97 7.10 3ga0A1 GLN 150 HE22 0.00 0.02 0.06 -0.04 7.69 7.74 3ga0A1 ILE 151 H 0.01 0.35 -0.18 -0.55 8.25 7.89 3ga0A1 ILE 151 HA 0.02 0.04 0.42 -0.75 4.18 3.91 3ga0A1 ILE 151 HB 0.02 0.07 0.21 -0.04 1.89 2.15 3ga0A1 ILE 151 HG12 0.02 -0.01 -0.05 -0.04 1.49 1.41 3ga0A1 ILE 151 HG13 0.02 0.15 -0.05 -0.04 1.21 1.28 3ga0A1 ILE 151 HG23 0.03 0.01 -0.15 -0.04 0.93 0.78 3ga0A1 ILE 151 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.78 3ga0A1 ARG 152 H 0.02 0.59 -0.08 -0.55 8.46 8.44 3ga0A1 ARG 152 HA 0.03 0.06 0.33 -0.75 4.34 4.00 3ga0A1 ARG 152 HB2 0.01 0.09 0.08 -0.04 1.90 2.05 3ga0A1 ARG 152 HB3 0.02 -0.01 0.02 -0.04 1.80 1.78 3ga0A1 ARG 152 HG2 0.02 -0.01 0.00 -0.04 1.67 1.64 3ga0A1 ARG 152 HG3 0.02 0.13 -0.01 -0.04 1.67 1.76 3ga0A1 ARG 152 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.16 3ga0A1 ARG 152 HD3 0.02 0.03 -0.01 -0.04 3.22 3.21 3ga0A1 GLU 153 H 0.02 0.15 -0.53 -0.55 8.60 7.68 3ga0A1 GLU 153 HA 0.01 0.07 0.49 -0.75 4.29 4.10 3ga0A1 GLU 153 HB2 0.01 0.17 0.17 -0.04 2.09 2.40 3ga0A1 GLU 153 HB3 0.01 -0.02 0.13 -0.04 1.99 2.06 3ga0A1 GLU 153 HG2 0.00 -0.01 0.03 -0.04 2.34 2.32 3ga0A1 GLU 153 HG3 0.00 -0.07 -0.01 -0.04 2.34 2.22 3ga0A1 VAL 154 H 0.02 0.90 0.17 -0.55 8.24 8.78 3ga0A1 VAL 154 HA 0.02 0.04 0.45 -0.75 4.13 3.89 3ga0A1 VAL 154 HB 0.02 -0.08 0.08 -0.04 2.12 2.10 3ga0A1 VAL 154 HG13 0.03 0.03 -0.06 -0.04 0.97 0.93 3ga0A1 VAL 154 HG23 0.03 -0.01 -0.01 -0.04 0.95 0.91 3ga0A1 ALA 155 H 0.04 0.43 -0.38 -0.55 8.40 7.94 3ga0A1 ALA 155 HA 0.09 0.16 0.74 -0.75 4.34 4.57 3ga0A1 ALA 155 HB3 0.06 -0.00 0.04 -0.04 1.41 1.46 3ga0A1 SER 156 H 0.03 0.30 -0.64 -0.55 8.46 7.60 3ga0A1 SER 156 HA 0.04 0.02 0.37 -0.75 4.49 4.17 3ga0A1 SER 156 HB2 0.01 0.00 0.28 -0.04 3.95 4.20 3ga0A1 SER 156 HB3 0.01 0.01 0.13 -0.04 3.93 4.03 3ga0A1 GLY 157 H 0.05 0.04 0.22 -0.55 8.43 8.19 3ga0A1 GLY 157 HA2 0.07 -0.04 0.34 -0.51 4.01 3.87 3ga0A1 GLY 157 HA3 0.06 0.05 0.46 -0.51 4.01 4.07 3ga0A1 ALA 158 H 0.09 0.13 0.03 -0.55 8.40 8.10 3ga0A1 ALA 158 HA 0.16 0.23 0.73 -0.75 4.34 4.72 3ga0A1 ALA 158 HB3 0.09 -0.02 0.09 -0.04 1.41 1.54 3ga0A1 ALA 159 H 0.21 0.58 0.26 -0.55 8.40 8.90 3ga0A1 ALA 159 HA 0.14 0.14 0.98 -0.75 4.34 4.84 3ga0A1 ALA 159 HB3 0.37 0.02 -0.04 -0.04 1.41 1.72 3ga0A1 ARG 160 H 0.08 0.16 0.14 -0.55 8.46 8.28 3ga0A1 ARG 160 HA -0.02 0.04 0.74 -0.75 4.34 4.34 3ga0A1 ARG 160 HB2 0.01 -0.00 0.11 -0.04 1.90 1.98 3ga0A1 ARG 160 HB3 0.01 0.05 0.16 -0.04 1.80 1.98 3ga0A1 ARG 160 HG2 -0.05 0.05 -0.13 -0.04 1.67 1.50 3ga0A1 ARG 160 HG3 -0.04 -0.05 0.07 -0.04 1.67 1.62 3ga0A1 ARG 160 HD2 -0.00 0.02 0.02 -0.04 3.22 3.22 3ga0A1 ARG 160 HD3 -0.02 -0.01 0.00 -0.04 3.22 3.15 3ga0A1 ILE 161 H -0.17 0.11 0.14 -0.55 8.25 7.78 3ga0A1 ILE 161 HA -0.57 0.08 0.34 -0.75 4.18 3.28 3ga0A1 ILE 161 HB -0.37 -0.01 0.14 -0.04 1.89 1.61 3ga0A1 ILE 161 HG12 -1.17 -0.03 -0.06 -0.04 1.49 0.18 3ga0A1 ILE 161 HG13 -0.53 0.07 -0.10 -0.04 1.21 0.60 3ga0A1 ILE 161 HG23 -1.46 0.01 -0.28 -0.04 0.93 -0.84 3ga0A1 ILE 161 HD13 -0.24 -0.02 -0.01 -0.04 0.88 0.58 3ga0A1 ARG 162 H -0.18 -0.03 -0.00 -0.55 8.46 7.70 3ga0A1 ARG 162 HA -0.16 0.29 0.39 -0.75 4.34 4.11 3ga0A1 ARG 162 HB2 -0.09 0.01 0.16 -0.04 1.90 1.94 3ga0A1 ARG 162 HB3 -0.06 -0.06 0.07 -0.04 1.80 1.71 3ga0A1 ARG 162 HG2 -0.03 -0.01 -0.08 -0.04 1.67 1.51 3ga0A1 ARG 162 HG3 -0.05 0.05 0.17 -0.04 1.67 1.80 3ga0A1 ARG 162 HD2 -0.03 -0.04 0.01 -0.04 3.22 3.12 3ga0A1 ARG 162 HD3 -0.03 -0.02 0.01 -0.04 3.22 3.14 3ga0A1 GLY 163 H -0.04 0.42 0.25 -0.55 8.43 8.52 3ga0A1 GLY 163 HA2 0.02 -0.07 0.41 -0.51 4.01 3.86 3ga0A1 GLY 163 HA3 0.01 0.09 0.69 -0.51 4.01 4.29 3ga0A1 GLU 164 H -0.04 0.62 -0.47 -0.55 8.60 8.16 3ga0A1 GLU 164 HA 0.14 -0.02 0.43 -0.75 4.29 4.08 3ga0A1 GLU 164 HB2 -0.08 0.24 0.17 -0.04 2.09 2.38 3ga0A1 GLU 164 HB3 0.38 -0.13 -0.05 -0.04 1.99 2.15 3ga0A1 GLU 164 HG2 0.07 0.07 0.04 -0.04 2.34 2.48 3ga0A1 GLU 164 HG3 0.05 -0.01 0.05 -0.04 2.34 2.39 3ga0A1 THR 165 H 0.18 0.13 0.28 -0.55 8.28 8.32 3ga0A1 THR 165 HA 0.16 0.29 0.98 -0.75 4.39 5.08 3ga0A1 THR 165 HB 0.11 -0.04 0.37 -0.04 4.32 4.72 3ga0A1 THR 165 HG23 0.09 -0.01 -0.21 -0.04 1.22 1.05 3ga0A1 LEU 166 H 0.08 0.51 0.24 -0.55 8.37 8.65 3ga0A1 LEU 166 HA -0.06 0.23 1.01 -0.75 4.35 4.78 3ga0A1 LEU 166 HB2 -0.86 0.00 -0.02 -0.04 1.64 0.72 3ga0A1 LEU 166 HB3 -0.22 -0.03 0.08 -0.04 1.64 1.43 3ga0A1 LEU 166 HG -0.12 -0.01 -0.36 -0.04 1.64 1.11 3ga0A1 LEU 166 HD13 -0.27 0.04 -0.14 -0.04 0.93 0.53 3ga0A1 LEU 166 HD23 -0.32 -0.03 -0.14 -0.04 0.89 0.36 3ga0A1 GLY 167 H 0.02 0.59 0.32 -0.55 8.43 8.82 3ga0A1 GLY 167 HA2 0.07 0.33 0.91 -0.51 4.01 4.81 3ga0A1 GLY 167 HA3 0.05 -0.02 0.30 -0.51 4.01 3.82 3ga0A1 ILE 168 H 0.14 0.55 0.42 -0.55 8.25 8.80 3ga0A1 ILE 168 HA 0.06 0.20 0.99 -0.75 4.18 4.68 3ga0A1 ILE 168 HB 0.15 -0.04 0.02 -0.04 1.89 1.98 3ga0A1 ILE 168 HG12 0.07 -0.03 -0.18 -0.04 1.49 1.31 3ga0A1 ILE 168 HG13 0.04 0.06 -0.39 -0.04 1.21 0.88 3ga0A1 ILE 168 HG23 0.18 -0.02 -0.26 -0.04 0.93 0.79 3ga0A1 ILE 168 HD13 0.02 0.02 -0.14 -0.04 0.88 0.75 3ga0A1 ILE 169 H 0.03 0.67 0.29 -0.55 8.25 8.69 3ga0A1 ILE 169 HA 0.22 0.21 1.02 -0.75 4.18 4.87 3ga0A1 ILE 169 HB 0.02 -0.08 0.27 -0.04 1.89 2.05 3ga0A1 ILE 169 HG12 0.07 -0.01 -0.10 -0.04 1.49 1.41 3ga0A1 ILE 169 HG13 0.02 0.11 -0.13 -0.04 1.21 1.17 3ga0A1 ILE 169 HG23 0.17 -0.02 -0.04 -0.04 0.93 1.00 3ga0A1 ILE 169 HD13 -0.04 -0.00 -0.09 -0.04 0.88 0.70 3ga0A1 GLY 170 H 0.16 0.61 0.20 -0.55 8.43 8.86 3ga0A1 GLY 170 HA2 0.05 -0.14 0.49 -0.51 4.01 3.90 3ga0A1 GLY 170 HA3 0.08 0.16 0.64 -0.51 4.01 4.38 3ga0A1 LEU 171 H 0.01 0.08 0.07 -0.55 8.37 7.98 3ga0A1 LEU 171 HA -0.09 0.16 0.63 -0.75 4.35 4.29 3ga0A1 LEU 171 HB2 -0.45 -0.01 -0.15 -0.04 1.64 1.00 3ga0A1 LEU 171 HB3 -0.36 -0.00 -0.03 -0.04 1.64 1.21 3ga0A1 LEU 171 HG -0.30 -0.06 -0.10 -0.04 1.64 1.14 3ga0A1 LEU 171 HD13 -0.42 0.03 -0.26 -0.04 0.93 0.24 3ga0A1 LEU 171 HD23 -0.95 0.02 -0.12 -0.04 0.89 -0.20 3ga0A1 GLU 172 H 0.01 0.01 -0.16 -0.55 8.60 7.91 3ga0A1 GLU 172 HA -0.03 0.20 0.99 -0.75 4.29 4.70 3ga0A1 GLU 172 HB2 0.02 -0.01 0.01 -0.04 2.09 2.08 3ga0A1 GLU 172 HB3 0.02 0.06 0.02 -0.04 1.99 2.05 3ga0A1 GLU 172 HG2 0.04 0.05 -0.02 -0.04 2.34 2.37 3ga0A1 GLU 172 HG3 0.05 -0.11 0.07 -0.04 2.34 2.30 3ga0A1 ARG 173 H -0.03 0.18 0.09 -0.55 8.46 8.15 3ga0A1 ARG 173 HA -0.03 0.08 0.29 -0.75 4.34 3.92 3ga0A1 ARG 173 HB2 -0.01 0.09 -0.02 -0.04 1.90 1.91 3ga0A1 ARG 173 HB3 -0.02 -0.07 0.27 -0.04 1.80 1.94 3ga0A1 ARG 173 HG2 -0.01 0.03 0.06 -0.04 1.67 1.71 3ga0A1 ARG 173 HG3 -0.01 -0.01 0.04 -0.04 1.67 1.65 3ga0A1 ARG 173 HD2 0.00 -0.06 -0.06 -0.04 3.22 3.06 3ga0A1 ARG 173 HD3 0.00 0.13 0.08 -0.04 3.22 3.39 3ga0A1 VAL 174 H -0.05 0.18 0.20 -0.55 8.24 8.02 3ga0A1 VAL 174 HA -0.12 0.00 0.11 -0.75 4.13 3.37 3ga0A1 VAL 174 HB -0.12 0.05 0.10 -0.04 2.12 2.10 3ga0A1 VAL 174 HG13 -0.56 0.01 -0.23 -0.04 0.97 0.15 3ga0A1 VAL 174 HG23 -0.04 0.03 0.08 -0.04 0.95 0.98 3ga0A1 GLY 175 H -0.08 0.24 -0.46 -0.55 8.43 7.57 3ga0A1 GLY 175 HA2 -0.10 -0.01 0.26 -0.51 4.01 3.66 3ga0A1 GLY 175 HA3 -0.05 0.14 0.33 -0.51 4.01 3.92 3ga0A1 GLN 176 H -0.11 0.66 -0.22 -0.55 8.47 8.26 3ga0A1 GLN 176 HA -0.13 0.05 0.34 -0.75 4.36 3.87 3ga0A1 GLN 176 HB2 -0.08 0.00 0.03 -0.04 2.15 2.06 3ga0A1 GLN 176 HB3 -0.07 0.00 -0.07 -0.04 2.02 1.84 3ga0A1 GLN 176 HG2 -0.11 0.01 0.00 -0.04 2.40 2.25 3ga0A1 GLN 176 HG3 -0.16 0.05 0.05 -0.04 2.39 2.29 3ga0A1 GLN 176 HE21 -0.05 -0.20 0.16 -0.04 6.97 6.84 3ga0A1 GLN 176 HE22 -0.08 0.22 0.10 -0.04 7.69 7.89 3ga0A1 ALA 177 H -0.09 0.12 -0.26 -0.55 8.40 7.62 3ga0A1 ALA 177 HA -0.04 0.05 0.27 -0.75 4.34 3.86 3ga0A1 ALA 177 HB3 -0.06 -0.00 -0.01 -0.04 1.41 1.30 3ga0A1 VAL 178 H -0.14 0.58 -0.21 -0.55 8.24 7.92 3ga0A1 VAL 178 HA -0.05 0.02 0.41 -0.75 4.13 3.75 3ga0A1 VAL 178 HB -0.12 0.21 0.05 -0.04 2.12 2.21 3ga0A1 VAL 178 HG13 0.04 -0.01 -0.21 -0.04 0.97 0.75 3ga0A1 VAL 178 HG23 -0.40 0.02 -0.07 -0.04 0.95 0.46 3ga0A1 ALA 179 H -0.06 0.51 -0.18 -0.55 8.40 8.12 3ga0A1 ALA 179 HA 0.00 -0.01 0.27 -0.75 4.34 3.85 3ga0A1 ALA 179 HB3 -0.04 0.04 0.05 -0.04 1.41 1.42 3ga0A1 LEU 180 H -0.02 0.50 -0.06 -0.55 8.37 8.25 3ga0A1 LEU 180 HA 0.02 0.05 0.32 -0.75 4.35 3.99 3ga0A1 LEU 180 HB2 -0.00 0.01 0.10 -0.04 1.64 1.71 3ga0A1 LEU 180 HB3 0.00 -0.02 -0.01 -0.04 1.64 1.58 3ga0A1 LEU 180 HG -0.03 0.12 -0.00 -0.04 1.64 1.69 3ga0A1 LEU 180 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.79 3ga0A1 LEU 180 HD23 -0.01 0.00 -0.00 -0.04 0.89 0.84 3ga0A1 ARG 181 H 0.03 0.45 -0.18 -0.55 8.46 8.20 3ga0A1 ARG 181 HA 0.11 -0.03 0.38 -0.75 4.34 4.05 3ga0A1 ARG 181 HB2 0.06 0.15 0.17 -0.04 1.90 2.24 3ga0A1 ARG 181 HB3 0.18 -0.05 -0.00 -0.04 1.80 1.89 3ga0A1 ARG 181 HG2 0.08 -0.04 0.00 -0.04 1.67 1.66 3ga0A1 ARG 181 HG3 0.04 -0.04 0.04 -0.04 1.67 1.67 3ga0A1 ARG 181 HD2 -0.00 0.10 -0.17 -0.04 3.22 3.11 3ga0A1 ARG 181 HD3 0.03 0.01 -0.11 -0.04 3.22 3.11 3ga0A1 ALA 182 H 0.09 0.65 -0.08 -0.55 8.40 8.52 3ga0A1 ALA 182 HA 0.32 -0.07 0.29 -0.75 4.34 4.13 3ga0A1 ALA 182 HB3 0.05 0.03 0.06 -0.04 1.41 1.52 3ga0A1 LYS 183 H 0.12 0.59 -0.10 -0.55 8.42 8.47 3ga0A1 LYS 183 HA 0.12 0.05 0.41 -0.75 4.32 4.14 3ga0A1 LYS 183 HB2 0.06 0.33 0.23 -0.04 1.87 2.45 3ga0A1 LYS 183 HB3 0.04 -0.07 0.02 -0.04 1.79 1.74 3ga0A1 LYS 183 HG2 0.06 -0.03 0.12 -0.04 1.46 1.57 3ga0A1 LYS 183 HG3 0.06 0.01 0.06 -0.04 1.46 1.55 3ga0A1 LYS 183 HD2 0.03 -0.04 0.04 -0.04 1.69 1.68 3ga0A1 LYS 183 HD3 0.03 -0.05 0.04 -0.04 1.68 1.65 3ga0A1 LYS 183 HE2 0.04 0.01 0.07 -0.04 2.99 3.06 3ga0A1 LYS 183 HE3 0.04 -0.06 -0.01 -0.04 2.99 2.92 3ga0A1 ALA 184 H 0.08 0.44 -0.14 -0.55 8.40 8.24 3ga0A1 ALA 184 HA -0.06 -0.01 0.37 -0.75 4.34 3.89 3ga0A1 ALA 184 HB3 -0.14 0.00 0.13 -0.04 1.41 1.36 3ga0A1 PHE 185 H 0.26 0.84 -0.26 -0.55 8.34 8.62 3ga0A1 PHE 185 HA -0.08 0.11 0.78 -0.75 4.62 4.69 3ga0A1 PHE 185 HB2 0.04 0.14 0.08 -0.04 3.15 3.37 3ga0A1 PHE 185 HB3 -0.25 -0.09 0.09 -0.04 3.06 2.77 3ga0A1 PHE 185 HD2 -0.01 0.14 -0.05 -0.04 7.28 7.31 3ga0A1 PHE 185 HE2 -0.01 -0.04 -0.07 -0.04 7.38 7.21 3ga0A1 PHE 185 HZ -0.01 -0.06 -0.06 -0.04 7.32 7.15 3ga0A1 GLY 186 H 0.03 0.58 -0.06 -0.55 8.43 8.44 3ga0A1 GLY 186 HA2 -0.01 0.05 0.30 -0.51 4.01 3.85 3ga0A1 GLY 186 HA3 -0.07 -0.01 0.64 -0.51 4.01 4.06 3ga0A1 PHE 187 H 0.17 0.20 -0.14 -0.55 8.34 8.02 3ga0A1 PHE 187 HA -0.01 0.28 0.56 -0.75 4.62 4.69 3ga0A1 PHE 187 HB2 0.04 0.00 -0.15 -0.04 3.15 3.00 3ga0A1 PHE 187 HB3 0.03 -0.04 -0.24 -0.04 3.06 2.76 3ga0A1 PHE 187 HD2 -0.03 0.16 -0.11 -0.04 7.28 7.26 3ga0A1 PHE 187 HE2 -0.26 -0.02 -0.14 -0.04 7.38 6.91 3ga0A1 PHE 187 HZ -0.60 -0.00 -0.13 -0.04 7.32 6.54 3ga0A1 ASN 188 H 0.23 0.91 0.17 -0.55 8.53 9.29 3ga0A1 ASN 188 HA 0.10 0.05 0.68 -0.75 4.76 4.83 3ga0A1 ASN 188 HB2 0.11 0.27 -0.12 -0.04 2.88 3.10 3ga0A1 ASN 188 HB3 0.10 -0.12 0.06 -0.04 2.79 2.79 3ga0A1 ASN 188 HD21 0.04 -0.04 -0.01 -0.04 7.03 6.98 3ga0A1 ASN 188 HD22 0.05 -0.04 -0.06 -0.04 7.74 7.65 3ga0A1 VAL 189 H 0.09 0.21 0.13 -0.55 8.24 8.13 3ga0A1 VAL 189 HA 0.07 0.28 0.90 -0.75 4.13 4.62 3ga0A1 VAL 189 HB 0.09 -0.01 0.16 -0.04 2.12 2.31 3ga0A1 VAL 189 HG13 0.07 -0.02 -0.11 -0.04 0.97 0.86 3ga0A1 VAL 189 HG23 0.11 0.08 -0.15 -0.04 0.95 0.94 3ga0A1 LEU 190 H 0.09 0.61 0.35 -0.55 8.37 8.87 3ga0A1 LEU 190 HA 0.14 0.23 0.85 -0.75 4.35 4.82 3ga0A1 LEU 190 HB2 0.01 -0.06 -0.06 -0.04 1.64 1.49 3ga0A1 LEU 190 HB3 0.03 -0.01 -0.07 -0.04 1.64 1.55 3ga0A1 LEU 190 HG 0.07 0.08 -0.16 -0.04 1.64 1.58 3ga0A1 LEU 190 HD13 0.07 -0.03 -0.24 -0.04 0.93 0.69 3ga0A1 LEU 190 HD23 0.01 0.01 -0.18 -0.04 0.89 0.69 3ga0A1 PHE 191 H -0.06 0.60 0.36 -0.55 8.34 8.69 3ga0A1 PHE 191 HA 0.06 0.11 1.02 -0.75 4.62 5.06 3ga0A1 PHE 191 HB2 0.04 0.04 0.03 -0.04 3.15 3.22 3ga0A1 PHE 191 HB3 0.03 0.03 -0.26 -0.04 3.06 2.82 3ga0A1 PHE 191 HD2 -0.00 0.00 -0.31 -0.04 7.28 6.94 3ga0A1 PHE 191 HE2 -0.02 0.02 -0.19 -0.04 7.38 7.14 3ga0A1 PHE 191 HZ -0.02 -0.09 -0.12 -0.04 7.32 7.05 3ga0A1 TYR 192 H 0.31 0.76 0.36 -0.55 8.29 9.17 3ga0A1 TYR 192 HA -0.15 0.26 0.81 -0.75 4.56 4.72 3ga0A1 TYR 192 HB2 -0.05 0.05 -0.09 -0.04 3.06 2.94 3ga0A1 TYR 192 HB3 0.01 -0.00 0.11 -0.04 2.98 3.05 3ga0A1 TYR 192 HD2 -0.04 0.02 -0.31 -0.04 7.15 6.78 3ga0A1 TYR 192 HE2 -0.06 0.10 -0.06 -0.04 6.85 6.79 3ga0A1 ASP 193 H -0.26 0.39 0.03 -0.55 8.40 8.01 3ga0A1 ASP 193 HA -0.35 0.11 0.53 -0.75 4.63 4.17 3ga0A1 ASP 193 HB2 0.13 -0.08 0.07 -0.04 2.71 2.78 3ga0A1 ASP 193 HB3 0.18 0.13 0.09 -0.04 2.70 3.06 3ga0A1 PRO 194 HA -0.29 0.21 0.56 -0.51 4.44 4.41 3ga0A1 PRO 194 HB2 -0.49 0.06 -0.00 -0.04 2.28 1.81 3ga0A1 PRO 194 HB3 -0.35 0.08 0.11 -0.04 2.02 1.82 3ga0A1 PRO 194 HG2 -1.22 -0.05 0.13 -0.04 2.03 0.85 3ga0A1 PRO 194 HG3 -0.46 0.07 0.07 -0.04 2.03 1.67 3ga0A1 PRO 194 HD2 -0.45 0.02 0.21 -0.04 3.68 3.42 3ga0A1 PRO 194 HD3 -1.09 0.18 0.04 -0.04 3.65 2.74 3ga0A1 TYR 195 H -0.42 0.01 -0.01 -0.55 8.29 7.31 3ga0A1 TYR 195 HA -0.03 0.18 0.35 -0.75 4.56 4.30 3ga0A1 TYR 195 HB2 -0.02 -0.07 0.02 -0.04 3.06 2.95 3ga0A1 TYR 195 HB3 -0.01 0.05 0.08 -0.04 2.98 3.07 3ga0A1 TYR 195 HD2 -0.03 0.03 -0.02 -0.04 7.15 7.10 3ga0A1 TYR 195 HE2 -0.05 0.01 -0.01 -0.04 6.85 6.76 3ga0A1 LEU 196 H 0.01 -0.06 -0.41 -0.55 8.37 7.36 3ga0A1 LEU 196 HA 0.05 0.03 0.53 -0.75 4.35 4.21 3ga0A1 LEU 196 HB2 0.07 0.05 -0.02 -0.04 1.64 1.70 3ga0A1 LEU 196 HB3 0.06 0.11 -0.07 -0.04 1.64 1.70 3ga0A1 LEU 196 HG 0.03 -0.22 -0.11 -0.04 1.64 1.30 3ga0A1 LEU 196 HD13 -0.05 0.06 -0.19 -0.04 0.93 0.71 3ga0A1 LEU 196 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.79 3ga0A1 SER 197 H 0.03 0.05 0.16 -0.55 8.46 8.16 3ga0A1 SER 197 HA 0.02 0.15 0.55 -0.75 4.49 4.46 3ga0A1 SER 197 HB2 0.02 0.03 0.13 -0.04 3.95 4.10 3ga0A1 SER 197 HB3 0.02 -0.05 0.11 -0.04 3.93 3.97 3ga0A1 ASP 198 H 0.02 0.14 0.18 -0.55 8.40 8.19 3ga0A1 ASP 198 HA 0.03 0.03 0.47 -0.75 4.63 4.40 3ga0A1 ASP 198 HB2 0.01 0.06 0.16 -0.04 2.71 2.89 3ga0A1 ASP 198 HB3 0.01 0.03 0.06 -0.04 2.70 2.76 3ga0A1 GLY 199 H 0.04 0.13 0.10 -0.55 8.43 8.16 3ga0A1 GLY 199 HA2 0.02 0.05 0.41 -0.51 4.01 3.98 3ga0A1 GLY 199 HA3 0.02 0.29 0.86 -0.51 4.01 4.68 3ga0A1 ILE 200 H 0.04 0.42 -0.29 -0.55 8.25 7.88 3ga0A1 ILE 200 HA 0.02 0.06 0.29 -0.75 4.18 3.79 3ga0A1 ILE 200 HB 0.02 0.08 0.08 -0.04 1.89 2.03 3ga0A1 ILE 200 HG12 -0.05 0.01 -0.08 -0.04 1.49 1.33 3ga0A1 ILE 200 HG13 -0.01 -0.00 0.06 -0.04 1.21 1.21 3ga0A1 ILE 200 HG23 0.07 0.03 -0.07 -0.04 0.93 0.92 3ga0A1 ILE 200 HD13 -0.03 -0.00 0.00 -0.04 0.88 0.81 3ga0A1 GLU 201 H 0.13 0.07 -0.30 -0.55 8.60 7.95 3ga0A1 GLU 201 HA 0.18 0.05 0.30 -0.75 4.29 4.07 3ga0A1 GLU 201 HB2 0.14 0.20 -0.04 -0.04 2.09 2.35 3ga0A1 GLU 201 HB3 0.53 0.03 -0.06 -0.04 1.99 2.45 3ga0A1 GLU 201 HG2 0.10 0.06 -0.03 -0.04 2.34 2.42 3ga0A1 GLU 201 HG3 0.22 -0.11 0.00 -0.04 2.34 2.41 3ga0A1 ARG 202 H 0.06 0.45 -0.24 -0.55 8.46 8.17 3ga0A1 ARG 202 HA 0.04 0.14 0.68 -0.75 4.34 4.45 3ga0A1 ARG 202 HB2 0.02 0.06 0.17 -0.04 1.90 2.12 3ga0A1 ARG 202 HB3 0.02 0.02 0.05 -0.04 1.80 1.86 3ga0A1 ARG 202 HG2 0.04 -0.16 0.03 -0.04 1.67 1.53 3ga0A1 ARG 202 HG3 0.02 -0.02 0.07 -0.04 1.67 1.70 3ga0A1 ARG 202 HD2 0.02 0.06 -0.00 -0.04 3.22 3.26 3ga0A1 ARG 202 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.15 3ga0A1 ALA 203 H 0.02 0.32 0.04 -0.55 8.40 8.23 3ga0A1 ALA 203 HA 0.01 0.04 0.39 -0.75 4.34 4.02 3ga0A1 ALA 203 HB3 0.01 0.00 0.08 -0.04 1.41 1.46 3ga0A1 LEU 204 H 0.02 0.38 -0.33 -0.55 8.37 7.88 3ga0A1 LEU 204 HA -0.00 0.13 0.57 -0.75 4.35 4.30 3ga0A1 LEU 204 HB2 -0.01 -0.03 -0.04 -0.04 1.64 1.51 3ga0A1 LEU 204 HB3 -0.03 -0.02 0.02 -0.04 1.64 1.57 3ga0A1 LEU 204 HG -0.02 0.04 -0.03 -0.04 1.64 1.58 3ga0A1 LEU 204 HD13 -0.11 -0.04 -0.09 -0.04 0.93 0.65 3ga0A1 LEU 204 HD23 -0.03 0.00 -0.08 -0.04 0.89 0.74 3ga0A1 GLY 205 H 0.04 0.14 -0.48 -0.55 8.43 7.58 3ga0A1 GLY 205 HA2 0.04 0.00 0.36 -0.51 4.01 3.90 3ga0A1 GLY 205 HA3 0.03 0.01 0.37 -0.51 4.01 3.91 3ga0A1 LEU 206 H 0.10 0.40 0.05 -0.55 8.37 8.37 3ga0A1 LEU 206 HA 0.11 0.23 0.91 -0.75 4.35 4.84 3ga0A1 LEU 206 HB2 0.26 -0.16 -0.04 -0.04 1.64 1.66 3ga0A1 LEU 206 HB3 0.33 0.04 -0.10 -0.04 1.64 1.87 3ga0A1 LEU 206 HG 0.03 0.15 -0.42 -0.04 1.64 1.36 3ga0A1 LEU 206 HD13 -0.15 -0.05 -0.14 -0.04 0.93 0.55 3ga0A1 LEU 206 HD23 0.06 0.01 -0.11 -0.04 0.89 0.82 3ga0A1 GLN 207 H 0.10 0.40 0.26 -0.55 8.47 8.69 3ga0A1 GLN 207 HA 0.01 0.06 0.68 -0.75 4.36 4.36 3ga0A1 GLN 207 HB2 0.04 0.16 0.19 -0.04 2.15 2.50 3ga0A1 GLN 207 HB3 -0.01 -0.08 -0.03 -0.04 2.02 1.86 3ga0A1 GLN 207 HG2 -0.02 -0.02 0.06 -0.04 2.40 2.37 3ga0A1 GLN 207 HG3 0.01 0.03 0.01 -0.04 2.39 2.40 3ga0A1 GLN 207 HE21 -0.07 0.00 -0.05 -0.04 6.97 6.81 3ga0A1 GLN 207 HE22 -0.04 -0.01 -0.03 -0.04 7.69 7.57 3ga0A1 ARG 208 H -0.11 0.21 0.20 -0.55 8.46 8.21 3ga0A1 ARG 208 HA -0.78 0.23 1.06 -0.75 4.34 4.10 3ga0A1 ARG 208 HB2 -0.51 -0.04 -0.07 -0.04 1.90 1.24 3ga0A1 ARG 208 HB3 -0.22 -0.05 0.09 -0.04 1.80 1.59 3ga0A1 ARG 208 HG2 -0.37 0.21 -0.15 -0.04 1.67 1.31 3ga0A1 ARG 208 HG3 -1.09 -0.07 0.00 -0.04 1.67 0.47 3ga0A1 ARG 208 HD2 -0.07 -0.13 -0.05 -0.04 3.22 2.93 3ga0A1 ARG 208 HD3 -0.13 -0.01 -0.09 -0.04 3.22 2.95 3ga0A1 VAL 209 H -0.26 0.64 0.31 -0.55 8.24 8.38 3ga0A1 VAL 209 HA -0.07 0.18 0.92 -0.75 4.13 4.41 3ga0A1 VAL 209 HB 0.02 -0.15 0.06 -0.04 2.12 2.00 3ga0A1 VAL 209 HG13 -0.04 0.03 -0.19 -0.04 0.97 0.72 3ga0A1 VAL 209 HG23 0.05 0.03 -0.17 -0.04 0.95 0.82 3ga0A1 SER 210 H 0.00 0.08 0.16 -0.55 8.46 8.15 3ga0A1 SER 210 HA -0.01 0.19 0.64 -0.75 4.49 4.56 3ga0A1 SER 210 HB2 0.01 -0.04 0.14 -0.04 3.95 4.02 3ga0A1 SER 210 HB3 0.01 0.02 0.01 -0.04 3.93 3.93 3ga0A1 THR 211 H 0.05 0.03 0.12 -0.55 8.28 7.93 3ga0A1 THR 211 HA 0.12 0.24 0.75 -0.75 4.39 4.74 3ga0A1 THR 211 HB -0.02 0.01 0.13 -0.04 4.32 4.40 3ga0A1 THR 211 HG23 0.01 0.04 0.02 -0.04 1.22 1.24 3ga0A1 LEU 212 H -0.22 0.19 0.16 -0.55 8.37 7.96 3ga0A1 LEU 212 HA -1.08 0.13 0.44 -0.75 4.35 3.08 3ga0A1 LEU 212 HB2 -0.73 0.03 0.08 -0.04 1.64 0.98 3ga0A1 LEU 212 HB3 -0.29 -0.01 0.15 -0.04 1.64 1.45 3ga0A1 LEU 212 HG -0.26 0.04 -0.30 -0.04 1.64 1.08 3ga0A1 LEU 212 HD13 -0.34 -0.01 -0.01 -0.04 0.93 0.53 3ga0A1 LEU 212 HD23 -0.14 0.03 -0.00 -0.04 0.89 0.74 3ga0A1 GLN 213 H -0.17 0.07 0.01 -0.55 8.47 7.83 3ga0A1 GLN 213 HA -0.14 0.17 0.44 -0.75 4.36 4.08 3ga0A1 GLN 213 HB2 -0.19 0.03 0.09 -0.04 2.15 2.04 3ga0A1 GLN 213 HB3 -0.11 -0.09 0.07 -0.04 2.02 1.86 3ga0A1 GLN 213 HG2 -0.06 0.10 0.03 -0.04 2.40 2.43 3ga0A1 GLN 213 HG3 -0.12 0.06 0.02 -0.04 2.39 2.30 3ga0A1 GLN 213 HE21 -0.23 -0.01 -0.12 -0.04 6.97 6.57 3ga0A1 GLN 213 HE22 -0.19 0.06 -0.25 -0.04 7.69 7.27 3ga0A1 ASP 214 H -0.07 -0.07 -0.56 -0.55 8.40 7.16 3ga0A1 ASP 214 HA 0.09 0.12 0.40 -0.75 4.63 4.50 3ga0A1 ASP 214 HB2 0.01 0.20 0.03 -0.04 2.71 2.91 3ga0A1 ASP 214 HB3 0.08 0.05 -0.10 -0.04 2.70 2.69 3ga0A1 LEU 215 H -0.03 0.22 -0.21 -0.55 8.37 7.80 3ga0A1 LEU 215 HA 0.10 0.05 0.29 -0.75 4.35 4.04 3ga0A1 LEU 215 HB2 0.04 -0.04 -0.08 -0.04 1.64 1.52 3ga0A1 LEU 215 HB3 -0.08 0.10 0.06 -0.04 1.64 1.68 3ga0A1 LEU 215 HG 0.05 0.01 -0.15 -0.04 1.64 1.50 3ga0A1 LEU 215 HD13 0.12 -0.05 -0.29 -0.04 0.93 0.67 3ga0A1 LEU 215 HD23 -0.02 0.03 -0.30 -0.04 0.89 0.56 3ga0A1 LEU 216 H -0.06 0.37 -0.14 -0.55 8.37 8.00 3ga0A1 LEU 216 HA -0.04 -0.02 0.32 -0.75 4.35 3.86 3ga0A1 LEU 216 HB2 -0.08 -0.12 0.11 -0.04 1.64 1.50 3ga0A1 LEU 216 HB3 -0.05 0.30 -0.38 -0.04 1.64 1.47 3ga0A1 LEU 216 HG -0.10 0.11 -0.16 -0.04 1.64 1.45 3ga0A1 LEU 216 HD13 -0.08 -0.03 -0.09 -0.04 0.93 0.70 3ga0A1 LEU 216 HD23 -0.17 -0.02 -0.15 -0.04 0.89 0.51 3ga0A1 PHE 217 H 0.09 0.46 -0.27 -0.55 8.34 8.07 3ga0A1 PHE 217 HA -0.15 0.18 0.38 -0.75 4.62 4.27 3ga0A1 PHE 217 HB2 -0.18 0.03 0.15 -0.04 3.15 3.11 3ga0A1 PHE 217 HB3 -0.42 0.01 0.14 -0.04 3.06 2.75 3ga0A1 PHE 217 HD2 -0.77 0.04 -0.05 -0.04 7.28 6.46 3ga0A1 PHE 217 HE2 -0.10 -0.03 -0.02 -0.04 7.38 7.19 3ga0A1 PHE 217 HZ -0.06 -0.04 -0.01 -0.04 7.32 7.16 3ga0A1 HIS 218 H 0.11 0.26 -0.29 -0.55 8.41 7.95 3ga0A1 HIS 218 HA -0.05 0.15 0.51 -0.75 4.63 4.48 3ga0A1 HIS 218 HB2 0.07 -0.00 0.01 -0.04 3.26 3.30 3ga0A1 HIS 218 HB3 0.05 -0.07 0.01 -0.04 3.20 3.15 3ga0A1 HIS 218 HD2 0.12 0.02 -0.04 -0.04 6.97 7.03 3ga0A1 HIS 218 HE1 0.07 -0.11 -0.02 -0.04 7.75 7.65 3ga0A1 SER 219 H 0.05 0.49 -0.03 -0.55 8.46 8.43 3ga0A1 SER 219 HA 0.08 0.03 0.61 -0.75 4.49 4.45 3ga0A1 SER 219 HB2 0.02 0.02 -0.07 -0.04 3.95 3.88 3ga0A1 SER 219 HB3 0.05 -0.07 0.02 -0.04 3.93 3.89 3ga0A1 ASP 220 H 0.12 0.39 0.44 -0.55 8.40 8.80 3ga0A1 ASP 220 HA 0.06 0.17 0.81 -0.75 4.63 4.91 3ga0A1 ASP 220 HB2 0.28 -0.04 0.16 -0.04 2.71 3.06 3ga0A1 ASP 220 HB3 0.25 0.03 0.12 -0.04 2.70 3.07 3ga0A1 CYS 221 H 0.12 0.42 0.26 -0.55 8.50 8.75 3ga0A1 CYS 221 HA 0.16 0.27 0.82 -0.75 4.58 5.08 3ga0A1 CYS 221 HB2 0.40 0.06 -0.17 -0.04 2.97 3.22 3ga0A1 CYS 221 HB3 0.08 -0.08 0.04 -0.04 2.97 2.98 3ga0A1 VAL 222 H 0.04 0.72 0.23 -0.55 8.24 8.68 3ga0A1 VAL 222 HA -0.01 0.29 1.06 -0.75 4.13 4.72 3ga0A1 VAL 222 HB -0.02 0.00 0.17 -0.04 2.12 2.23 3ga0A1 VAL 222 HG13 -0.04 -0.03 -0.19 -0.04 0.97 0.66 3ga0A1 VAL 222 HG23 -0.01 0.02 -0.15 -0.04 0.95 0.76 3ga0A1 THR 223 H -0.04 0.59 0.34 -0.55 8.28 8.62 3ga0A1 THR 223 HA -0.13 0.36 1.23 -0.75 4.39 5.11 3ga0A1 THR 223 HB -0.06 0.02 -0.07 -0.04 4.32 4.16 3ga0A1 THR 223 HG23 0.03 0.01 -0.09 -0.04 1.22 1.12 3ga0A1 LEU 224 H -0.30 0.40 0.34 -0.55 8.37 8.27 3ga0A1 LEU 224 HA -0.17 0.20 1.06 -0.75 4.35 4.68 3ga0A1 LEU 224 HB2 -0.17 -0.18 0.28 -0.04 1.64 1.53 3ga0A1 LEU 224 HB3 -0.10 -0.07 0.12 -0.04 1.64 1.55 3ga0A1 LEU 224 HG -0.12 0.19 0.01 -0.04 1.64 1.68 3ga0A1 LEU 224 HD13 -0.08 -0.01 -0.04 -0.04 0.93 0.76 3ga0A1 LEU 224 HD23 -0.06 0.02 -0.11 -0.04 0.89 0.70 3ga0A1 HIS 225 H -0.06 0.68 0.24 -0.55 8.41 8.72 3ga0A1 HIS 225 HA -0.01 -0.02 0.55 -0.75 4.63 4.39 3ga0A1 HIS 225 HB2 -0.01 0.31 0.17 -0.04 3.26 3.69 3ga0A1 HIS 225 HB3 -0.01 -0.15 0.12 -0.04 3.20 3.12 3ga0A1 HIS 225 HD2 -0.02 0.06 -0.24 -0.04 6.97 6.73 3ga0A1 HIS 225 HE1 -0.02 -0.05 -0.11 -0.04 7.75 7.53 3ga0A1 CYS 226 H 0.01 0.12 0.10 -0.55 8.50 8.18 3ga0A1 CYS 226 HA 0.06 0.11 0.91 -0.75 4.58 4.91 3ga0A1 CYS 226 HB2 0.04 0.02 0.02 -0.04 2.97 3.00 3ga0A1 CYS 226 HB3 0.04 0.03 0.00 -0.04 2.97 3.00 3ga0A1 GLY 227 H 0.05 0.12 0.15 -0.55 8.43 8.21 3ga0A1 GLY 227 HA2 -0.05 -0.01 0.48 -0.51 4.01 3.92 3ga0A1 GLY 227 HA3 -0.03 0.07 0.29 -0.51 4.01 3.83 3ga0A1 LEU 228 H -0.06 0.06 0.16 -0.55 8.37 7.99 3ga0A1 LEU 228 HA 0.06 0.18 0.75 -0.75 4.35 4.58 3ga0A1 LEU 228 HB2 0.02 -0.05 0.01 -0.04 1.64 1.59 3ga0A1 LEU 228 HB3 0.01 -0.07 0.13 -0.04 1.64 1.67 3ga0A1 LEU 228 HG 0.08 0.09 -0.20 -0.04 1.64 1.57 3ga0A1 LEU 228 HD13 0.12 0.01 -0.18 -0.04 0.93 0.84 3ga0A1 LEU 228 HD23 0.08 -0.04 -0.06 -0.04 0.89 0.84 3ga0A1 ASN 229 H 0.11 0.20 0.07 -0.55 8.53 8.36 3ga0A1 ASN 229 HA 0.07 0.19 0.43 -0.75 4.76 4.69 3ga0A1 ASN 229 HB2 0.13 -0.12 0.20 -0.04 2.88 3.04 3ga0A1 ASN 229 HB3 0.06 0.15 -0.02 -0.04 2.79 2.94 3ga0A1 ASN 229 HD21 0.28 0.08 -0.04 -0.04 7.03 7.31 3ga0A1 ASN 229 HD22 0.37 -0.24 -0.25 -0.04 7.74 7.58 3ga0A1 GLU 230 H 0.10 0.17 0.13 -0.55 8.60 8.46 3ga0A1 GLU 230 HA -0.01 0.09 0.32 -0.75 4.29 3.94 3ga0A1 GLU 230 HB2 -0.04 0.01 0.16 -0.04 2.09 2.18 3ga0A1 GLU 230 HB3 -0.22 -0.06 0.15 -0.04 1.99 1.82 3ga0A1 GLU 230 HG2 -0.22 0.06 -0.18 -0.04 2.34 1.97 3ga0A1 GLU 230 HG3 -0.12 0.01 0.03 -0.04 2.34 2.23 3ga0A1 HIS 231 H 0.40 -0.02 -0.15 -0.55 8.41 8.10 3ga0A1 HIS 231 HA 0.09 0.16 0.28 -0.75 4.63 4.41 3ga0A1 HIS 231 HB2 0.14 -0.07 0.08 -0.04 3.26 3.37 3ga0A1 HIS 231 HB3 0.10 0.08 0.02 -0.04 3.20 3.36 3ga0A1 HIS 231 HD2 0.08 0.06 0.00 -0.04 6.97 7.07 3ga0A1 HIS 231 HE1 0.06 0.02 0.03 -0.04 7.75 7.81 3ga0A1 ASN 232 H 0.24 -0.05 -0.09 -0.55 8.53 8.08 3ga0A1 ASN 232 HA 0.14 0.19 0.28 -0.75 4.76 4.62 3ga0A1 ASN 232 HB2 0.10 -0.00 0.13 -0.04 2.88 3.06 3ga0A1 ASN 232 HB3 0.14 -0.01 0.06 -0.04 2.79 2.93 3ga0A1 ASN 232 HD21 0.16 0.03 -0.06 -0.04 7.03 7.12 3ga0A1 ASN 232 HD22 0.20 -0.03 0.01 -0.04 7.74 7.88 3ga0A1 HIS 233 H 0.22 0.23 -0.55 -0.55 8.41 7.77 3ga0A1 HIS 233 HA 0.10 -0.03 0.49 -0.75 4.63 4.44 3ga0A1 HIS 233 HB2 0.06 -0.07 0.04 -0.04 3.26 3.24 3ga0A1 HIS 233 HB3 0.05 0.18 0.04 -0.04 3.20 3.43 3ga0A1 HIS 233 HD2 0.09 -0.11 0.06 -0.04 6.97 6.96 3ga0A1 HIS 233 HE1 -0.48 -0.03 -0.06 -0.04 7.75 7.14 3ga0A1 HIS 234 H -0.24 0.75 0.38 -0.55 8.41 8.76 3ga0A1 HIS 234 HA -0.21 -0.09 -0.01 -0.75 4.63 3.56 3ga0A1 HIS 234 HB2 -0.32 0.09 -0.25 -0.04 3.26 2.75 3ga0A1 HIS 234 HB3 -0.11 -0.06 0.13 -0.04 3.20 3.12 3ga0A1 HIS 234 HD2 -0.03 -0.04 0.06 -0.04 6.97 6.92 3ga0A1 HIS 234 HE1 0.02 0.02 0.02 -0.04 7.75 7.76 3ga0A1 LEU 235 H -0.02 0.21 -0.12 -0.55 8.37 7.90 3ga0A1 LEU 235 HA 0.03 0.06 0.38 -0.75 4.35 4.05 3ga0A1 LEU 235 HB2 0.03 0.25 0.19 -0.04 1.64 2.06 3ga0A1 LEU 235 HB3 -0.02 -0.00 0.07 -0.04 1.64 1.64 3ga0A1 LEU 235 HG -0.03 -0.02 -0.00 -0.04 1.64 1.54 3ga0A1 LEU 235 HD13 0.05 -0.02 0.02 -0.04 0.93 0.94 3ga0A1 LEU 235 HD23 0.03 -0.03 -0.01 -0.04 0.89 0.84 3ga0A1 ILE 236 H -0.08 0.50 -0.01 -0.55 8.25 8.10 3ga0A1 ILE 236 HA -0.07 0.12 0.82 -0.75 4.18 4.30 3ga0A1 ILE 236 HB -0.10 -0.10 0.16 -0.04 1.89 1.81 3ga0A1 ILE 236 HG12 -0.07 -0.04 -0.17 -0.04 1.49 1.17 3ga0A1 ILE 236 HG13 -0.07 0.02 -0.10 -0.04 1.21 1.01 3ga0A1 ILE 236 HG23 -0.07 0.01 -0.18 -0.04 0.93 0.65 3ga0A1 ILE 236 HD13 -0.08 0.05 -0.13 -0.04 0.88 0.68 3ga0A1 ASN 237 H -0.04 0.20 0.15 -0.55 8.53 8.30 3ga0A1 ASN 237 HA -0.02 0.08 0.65 -0.75 4.76 4.71 3ga0A1 ASN 237 HB2 0.08 -0.09 0.14 -0.04 2.88 2.97 3ga0A1 ASN 237 HB3 0.05 0.23 -0.24 -0.04 2.79 2.79 3ga0A1 ASN 237 HD21 0.08 -0.02 -0.05 -0.04 7.03 7.00 3ga0A1 ASN 237 HD22 0.06 0.73 -0.15 -0.04 7.74 8.34 3ga0A1 ASP 238 H 0.05 0.17 0.14 -0.55 8.40 8.21 3ga0A1 ASP 238 HA 0.04 0.12 0.31 -0.75 4.63 4.35 3ga0A1 ASP 238 HB2 0.08 -0.05 0.12 -0.04 2.71 2.82 3ga0A1 ASP 238 HB3 0.06 0.11 0.02 -0.04 2.70 2.85 3ga0A1 PHE 239 H 0.20 0.02 -0.24 -0.55 8.34 7.76 3ga0A1 PHE 239 HA -0.00 0.16 0.45 -0.75 4.62 4.48 3ga0A1 PHE 239 HB2 0.01 0.01 0.07 -0.04 3.15 3.19 3ga0A1 PHE 239 HB3 0.01 -0.05 0.10 -0.04 3.06 3.07 3ga0A1 PHE 239 HD2 0.00 0.02 0.02 -0.04 7.28 7.28 3ga0A1 PHE 239 HE2 -0.00 0.01 -0.02 -0.04 7.38 7.33 3ga0A1 PHE 239 HZ -0.01 -0.00 -0.02 -0.04 7.32 7.24 3ga0A1 THR 240 H -0.03 0.03 -0.01 -0.55 8.28 7.72 3ga0A1 THR 240 HA -0.42 0.08 0.39 -0.75 4.39 3.68 3ga0A1 THR 240 HB -0.15 0.04 0.06 -0.04 4.32 4.22 3ga0A1 THR 240 HG23 -0.22 0.01 0.07 -0.04 1.22 1.03 3ga0A1 VAL 241 H -0.04 0.73 -0.06 -0.55 8.24 8.31 3ga0A1 VAL 241 HA -0.06 0.04 0.30 -0.75 4.13 3.65 3ga0A1 VAL 241 HB -0.01 0.06 -0.17 -0.04 2.12 1.95 3ga0A1 VAL 241 HG13 -0.03 0.04 -0.20 -0.04 0.97 0.73 3ga0A1 VAL 241 HG23 -0.04 -0.07 -0.19 -0.04 0.95 0.61 3ga0A1 LYS 242 H -0.02 0.25 -0.45 -0.55 8.42 7.65 3ga0A1 LYS 242 HA -0.01 0.12 0.55 -0.75 4.32 4.23 3ga0A1 LYS 242 HB2 0.04 0.06 0.15 -0.04 1.87 2.08 3ga0A1 LYS 242 HB3 0.05 0.06 0.10 -0.04 1.79 1.96 3ga0A1 LYS 242 HG2 0.05 -0.08 0.03 -0.04 1.46 1.42 3ga0A1 LYS 242 HG3 0.03 0.01 0.03 -0.04 1.46 1.50 3ga0A1 LYS 242 HD2 0.00 0.05 0.05 -0.04 1.69 1.75 3ga0A1 LYS 242 HD3 0.02 -0.06 0.02 -0.04 1.68 1.61 3ga0A1 LYS 242 HE2 0.01 -0.06 0.02 -0.04 2.99 2.92 3ga0A1 LYS 242 HE3 0.00 0.07 0.07 -0.04 2.99 3.09 3ga0A1 GLN 243 H -0.11 0.22 -0.28 -0.55 8.47 7.76 3ga0A1 GLN 243 HA -0.00 0.06 0.45 -0.75 4.36 4.11 3ga0A1 GLN 243 HB2 -0.17 0.09 0.10 -0.04 2.15 2.13 3ga0A1 GLN 243 HB3 -0.09 -0.09 0.13 -0.04 2.02 1.94 3ga0A1 GLN 243 HG2 -0.17 -0.01 0.00 -0.04 2.40 2.19 3ga0A1 GLN 243 HG3 -0.35 0.22 0.08 -0.04 2.39 2.30 3ga0A1 GLN 243 HE21 -0.42 -0.11 -0.01 -0.04 6.97 6.38 3ga0A1 GLN 243 HE22 -0.27 0.06 -0.02 -0.04 7.69 7.42 3ga0A1 MET 244 H -0.06 0.14 -0.65 -0.55 8.47 7.35 3ga0A1 MET 244 HA -0.06 0.20 0.53 -0.75 4.52 4.43 3ga0A1 MET 244 HB2 -0.06 0.20 0.04 -0.04 2.15 2.29 3ga0A1 MET 244 HB3 -0.06 0.04 0.08 -0.04 2.03 2.04 3ga0A1 MET 244 HG2 -0.06 -0.02 -0.00 -0.04 2.63 2.51 3ga0A1 MET 244 HG3 -0.07 -0.06 -0.07 -0.04 2.56 2.32 3ga0A1 MET 244 HE3 -0.04 0.03 -0.12 -0.04 2.10 1.94 3ga0A1 ARG 245 H -0.09 0.14 0.15 -0.55 8.46 8.10 3ga0A1 ARG 245 HA -0.15 0.07 0.53 -0.75 4.34 4.03 3ga0A1 ARG 245 HB2 -0.09 -0.02 0.07 -0.04 1.90 1.82 3ga0A1 ARG 245 HB3 -0.12 -0.06 0.12 -0.04 1.80 1.71 3ga0A1 ARG 245 HG2 -0.28 0.05 0.05 -0.04 1.67 1.44 3ga0A1 ARG 245 HG3 -0.12 0.23 0.03 -0.04 1.67 1.77 3ga0A1 ARG 245 HD2 -0.06 -0.07 -0.13 -0.04 3.22 2.92 3ga0A1 ARG 245 HD3 -0.14 -0.12 0.02 -0.04 3.22 2.93 3ga0A1 GLN 246 H -0.10 0.06 0.17 -0.55 8.47 8.06 3ga0A1 GLN 246 HA -0.08 0.12 0.71 -0.75 4.36 4.36 3ga0A1 GLN 246 HB2 -0.07 -0.06 0.21 -0.04 2.15 2.19 3ga0A1 GLN 246 HB3 -0.06 0.03 0.02 -0.04 2.02 1.96 3ga0A1 GLN 246 HG2 -0.05 0.00 0.08 -0.04 2.40 2.39 3ga0A1 GLN 246 HG3 -0.04 -0.06 0.05 -0.04 2.39 2.30 3ga0A1 GLN 246 HE21 -0.04 -0.01 -0.02 -0.04 6.97 6.86 3ga0A1 GLN 246 HE22 -0.04 -0.02 0.02 -0.04 7.69 7.61 3ga0A1 GLY 247 H -0.10 0.55 0.27 -0.55 8.43 8.59 3ga0A1 GLY 247 HA2 -0.18 -0.08 0.17 -0.51 4.01 3.41 3ga0A1 GLY 247 HA3 -0.17 0.03 0.35 -0.51 4.01 3.70 3ga0A1 ALA 248 H -0.13 0.40 -0.21 -0.55 8.40 7.91 3ga0A1 ALA 248 HA -0.14 0.24 0.74 -0.75 4.34 4.42 3ga0A1 ALA 248 HB3 -0.06 -0.02 0.01 -0.04 1.41 1.30 3ga0A1 PHE 249 H 0.03 0.36 0.36 -0.55 8.34 8.54 3ga0A1 PHE 249 HA -0.04 0.25 0.69 -0.75 4.62 4.77 3ga0A1 PHE 249 HB2 -0.11 -0.13 0.13 -0.04 3.15 3.00 3ga0A1 PHE 249 HB3 -0.08 -0.05 -0.01 -0.04 3.06 2.87 3ga0A1 PHE 249 HD2 -0.15 0.00 -0.02 -0.04 7.28 7.06 3ga0A1 PHE 249 HE2 -0.17 0.04 -0.08 -0.04 7.38 7.13 3ga0A1 PHE 249 HZ -0.13 0.13 -0.05 -0.04 7.32 7.23 3ga0A1 LEU 250 H 0.11 0.54 0.40 -0.55 8.37 8.88 3ga0A1 LEU 250 HA 0.01 0.27 1.02 -0.75 4.35 4.89 3ga0A1 LEU 250 HB2 -0.02 0.09 -0.05 -0.04 1.64 1.61 3ga0A1 LEU 250 HB3 -0.01 -0.02 0.10 -0.04 1.64 1.68 3ga0A1 LEU 250 HG -0.06 -0.08 -0.38 -0.04 1.64 1.07 3ga0A1 LEU 250 HD13 -0.06 0.06 -0.01 -0.04 0.93 0.88 3ga0A1 LEU 250 HD23 -0.05 -0.03 -0.12 -0.04 0.89 0.65 3ga0A1 VAL 251 H -0.05 0.77 0.35 -0.55 8.24 8.76 3ga0A1 VAL 251 HA -0.12 0.25 1.05 -0.75 4.13 4.55 3ga0A1 VAL 251 HB -0.08 -0.05 0.09 -0.04 2.12 2.05 3ga0A1 VAL 251 HG13 -0.09 -0.03 -0.09 -0.04 0.97 0.73 3ga0A1 VAL 251 HG23 -0.03 0.02 -0.24 -0.04 0.95 0.65 3ga0A1 ASN 252 H -0.19 0.60 0.26 -0.55 8.53 8.65 3ga0A1 ASN 252 HA -0.17 -0.00 0.94 -0.75 4.76 4.78 3ga0A1 ASN 252 HB2 -0.12 0.08 -0.09 -0.04 2.88 2.71 3ga0A1 ASN 252 HB3 -0.15 0.05 0.15 -0.04 2.79 2.81 3ga0A1 ASN 252 HD21 -0.09 0.19 -0.07 -0.04 7.03 7.02 3ga0A1 ASN 252 HD22 -0.12 0.06 0.05 -0.04 7.74 7.69 3ga0A1 THR 253 H -0.12 0.26 0.17 -0.55 8.28 8.04 3ga0A1 THR 253 HA -0.12 0.09 0.96 -0.75 4.39 4.57 3ga0A1 THR 253 HB 0.03 -0.06 0.16 -0.04 4.32 4.42 3ga0A1 THR 253 HG23 0.01 -0.01 -0.12 -0.04 1.22 1.06 3ga0A1 ALA 254 H -0.09 0.10 0.08 -0.55 8.40 7.94 3ga0A1 ALA 254 HA -0.00 0.08 0.64 -0.75 4.34 4.31 3ga0A1 ALA 254 HB3 -0.03 0.03 0.07 -0.04 1.41 1.44 3ga0A1 ARG 255 H -0.03 0.16 0.07 -0.55 8.46 8.11 3ga0A1 ARG 255 HA -0.03 0.21 0.60 -0.75 4.34 4.36 3ga0A1 ARG 255 HB2 0.00 0.08 0.07 -0.04 1.90 2.01 3ga0A1 ARG 255 HB3 0.03 -0.13 -0.01 -0.04 1.80 1.65 3ga0A1 ARG 255 HG2 0.01 -0.05 0.02 -0.04 1.67 1.61 3ga0A1 ARG 255 HG3 0.05 0.04 0.03 -0.04 1.67 1.75 3ga0A1 ARG 255 HD2 -0.02 0.04 -0.42 -0.04 3.22 2.79 3ga0A1 ARG 255 HD3 -0.03 -0.03 -0.04 -0.04 3.22 3.08 3ga0A1 GLY 256 H 0.04 0.14 0.09 -0.55 8.43 8.15 3ga0A1 GLY 256 HA2 -0.04 0.33 0.25 -0.51 4.01 4.04 3ga0A1 GLY 256 HA3 0.03 0.02 0.16 -0.51 4.01 3.71 3ga0A1 GLY 257 H 0.06 0.04 -0.05 -0.55 8.43 7.94 3ga0A1 GLY 257 HA2 0.12 0.18 0.35 -0.51 4.01 4.14 3ga0A1 GLY 257 HA3 0.16 0.05 0.32 -0.51 4.01 4.03 3ga0A1 LEU 258 H -0.02 0.22 -0.96 -0.55 8.37 7.06 3ga0A1 LEU 258 HA -0.03 0.13 0.65 -0.75 4.35 4.35 3ga0A1 LEU 258 HB2 -0.05 0.14 -0.03 -0.04 1.64 1.66 3ga0A1 LEU 258 HB3 -0.03 0.01 0.10 -0.04 1.64 1.67 3ga0A1 LEU 258 HG 0.01 -0.19 -0.22 -0.04 1.64 1.20 3ga0A1 LEU 258 HD13 -0.02 0.07 0.03 -0.04 0.93 0.96 3ga0A1 LEU 258 HD23 0.04 0.04 -0.15 -0.04 0.89 0.77 3ga0A1 VAL 259 H -0.14 0.42 -0.04 -0.55 8.24 7.92 3ga0A1 VAL 259 HA -0.19 0.19 1.01 -0.75 4.13 4.38 3ga0A1 VAL 259 HB -0.11 0.04 0.11 -0.04 2.12 2.11 3ga0A1 VAL 259 HG13 -0.10 -0.01 -0.32 -0.04 0.97 0.50 3ga0A1 VAL 259 HG23 -0.09 -0.01 -0.21 -0.04 0.95 0.59 3ga0A1 ASP 260 H -0.35 0.85 0.23 -0.55 8.40 8.58 3ga0A1 ASP 260 HA -0.70 0.07 0.67 -0.75 4.63 3.92 3ga0A1 ASP 260 HB2 -0.21 0.17 0.26 -0.04 2.71 2.89 3ga0A1 ASP 260 HB3 -0.10 -0.08 0.36 -0.04 2.70 2.84 3ga0A1 GLU 261 H -0.11 0.37 0.28 -0.55 8.60 8.60 3ga0A1 GLU 261 HA -0.03 0.08 0.24 -0.75 4.29 3.82 3ga0A1 GLU 261 HB2 0.02 -0.01 0.13 -0.04 2.09 2.18 3ga0A1 GLU 261 HB3 0.02 -0.01 0.02 -0.04 1.99 1.98 3ga0A1 GLU 261 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 3ga0A1 GLU 261 HG3 -0.03 0.18 0.17 -0.04 2.34 2.62 3ga0A1 LYS 262 H 0.02 0.06 -0.28 -0.55 8.42 7.66 3ga0A1 LYS 262 HA 0.02 0.12 0.46 -0.75 4.32 4.17 3ga0A1 LYS 262 HB2 0.06 0.00 0.10 -0.04 1.87 1.99 3ga0A1 LYS 262 HB3 0.05 -0.08 0.07 -0.04 1.79 1.78 3ga0A1 LYS 262 HG2 0.03 0.04 -0.13 -0.04 1.46 1.35 3ga0A1 LYS 262 HG3 0.03 0.05 0.04 -0.04 1.46 1.53 3ga0A1 LYS 262 HD2 0.05 0.00 0.02 -0.04 1.69 1.72 3ga0A1 LYS 262 HD3 0.06 -0.04 -0.00 -0.04 1.68 1.66 3ga0A1 LYS 262 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 3ga0A1 LYS 262 HE3 0.03 0.03 -0.01 -0.04 2.99 3.01 3ga0A1 ALA 263 H -0.01 0.10 -0.10 -0.55 8.40 7.86 3ga0A1 ALA 263 HA 0.01 0.09 0.42 -0.75 4.34 4.11 3ga0A1 ALA 263 HB3 -0.01 0.01 0.03 -0.04 1.41 1.40 3ga0A1 LEU 264 H -0.03 0.43 -0.24 -0.55 8.37 7.98 3ga0A1 LEU 264 HA -0.02 0.10 0.37 -0.75 4.35 4.04 3ga0A1 LEU 264 HB2 -0.05 -0.06 -0.14 -0.04 1.64 1.36 3ga0A1 LEU 264 HB3 -0.03 -0.04 -0.04 -0.04 1.64 1.48 3ga0A1 LEU 264 HG -0.00 0.08 -0.35 -0.04 1.64 1.32 3ga0A1 LEU 264 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.78 3ga0A1 LEU 264 HD23 -0.03 -0.02 -0.14 -0.04 0.89 0.67 3ga0A1 ALA 265 H 0.00 0.71 -0.07 -0.55 8.40 8.49 3ga0A1 ALA 265 HA 0.02 0.06 0.37 -0.75 4.34 4.03 3ga0A1 ALA 265 HB3 0.02 0.01 -0.05 -0.04 1.41 1.35 3ga0A1 GLN 266 H 0.00 0.41 -0.21 -0.55 8.47 8.13 3ga0A1 GLN 266 HA 0.00 0.04 0.41 -0.75 4.36 4.06 3ga0A1 GLN 266 HB2 0.01 -0.03 0.10 -0.04 2.15 2.19 3ga0A1 GLN 266 HB3 0.00 0.05 0.17 -0.04 2.02 2.20 3ga0A1 GLN 266 HG2 0.01 -0.08 -0.03 -0.04 2.40 2.26 3ga0A1 GLN 266 HG3 -0.00 0.06 -0.34 -0.04 2.39 2.07 3ga0A1 GLN 266 HE21 0.00 0.00 -0.02 -0.04 6.97 6.92 3ga0A1 GLN 266 HE22 0.01 -0.04 -0.02 -0.04 7.69 7.59 3ga0A1 ALA 267 H -0.01 0.42 -0.27 -0.55 8.40 7.99 3ga0A1 ALA 267 HA -0.02 -0.02 0.25 -0.75 4.34 3.80 3ga0A1 ALA 267 HB3 -0.02 0.01 0.01 -0.04 1.41 1.37 3ga0A1 LEU 268 H -0.01 0.48 -0.26 -0.55 8.37 8.04 3ga0A1 LEU 268 HA -0.03 0.21 0.56 -0.75 4.35 4.33 3ga0A1 LEU 268 HB2 0.00 0.02 0.16 -0.04 1.64 1.78 3ga0A1 LEU 268 HB3 -0.01 0.14 -0.03 -0.04 1.64 1.70 3ga0A1 LEU 268 HG -0.00 -0.11 -0.05 -0.04 1.64 1.44 3ga0A1 LEU 268 HD13 0.03 -0.06 -0.19 -0.04 0.93 0.68 3ga0A1 LEU 268 HD23 0.02 0.12 -0.05 -0.04 0.89 0.94 3ga0A1 LYS 269 H -0.01 0.43 -0.05 -0.55 8.42 8.23 3ga0A1 LYS 269 HA -0.03 0.07 0.45 -0.75 4.32 4.06 3ga0A1 LYS 269 HB2 -0.01 0.02 0.14 -0.04 1.87 1.98 3ga0A1 LYS 269 HB3 -0.01 0.06 0.19 -0.04 1.79 1.99 3ga0A1 LYS 269 HG2 -0.01 -0.07 -0.00 -0.04 1.46 1.34 3ga0A1 LYS 269 HG3 -0.02 -0.02 -0.19 -0.04 1.46 1.19 3ga0A1 LYS 269 HD2 -0.03 0.05 0.13 -0.04 1.69 1.79 3ga0A1 LYS 269 HD3 -0.02 0.04 0.05 -0.04 1.68 1.71 3ga0A1 LYS 269 HE2 -0.02 -0.05 -0.01 -0.04 2.99 2.87 3ga0A1 LYS 269 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 3ga0A1 GLU 270 H -0.02 0.45 -0.09 -0.55 8.60 8.39 3ga0A1 GLU 270 HA -0.02 0.02 0.36 -0.75 4.29 3.90 3ga0A1 GLU 270 HB2 -0.02 0.02 0.06 -0.04 2.09 2.11 3ga0A1 GLU 270 HB3 -0.02 -0.04 0.06 -0.04 1.99 1.95 3ga0A1 GLU 270 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 3ga0A1 GLU 270 HG3 -0.01 0.08 0.04 -0.04 2.34 2.40 3ga0A1 GLY 271 H -0.04 0.36 -0.72 -0.55 8.43 7.48 3ga0A1 GLY 271 HA2 -0.07 0.16 0.21 -0.51 4.01 3.81 3ga0A1 GLY 271 HA3 -0.05 0.05 0.48 -0.51 4.01 3.98 3ga0A1 ARG 272 H -0.04 0.15 -0.24 -0.55 8.46 7.77 3ga0A1 ARG 272 HA -0.06 0.01 0.44 -0.75 4.34 3.98 3ga0A1 ARG 272 HB2 -0.04 -0.00 0.02 -0.04 1.90 1.84 3ga0A1 ARG 272 HB3 -0.04 0.05 0.04 -0.04 1.80 1.81 3ga0A1 ARG 272 HG2 -0.03 0.00 -0.03 -0.04 1.67 1.57 3ga0A1 ARG 272 HG3 -0.03 0.02 -0.12 -0.04 1.67 1.49 3ga0A1 ARG 272 HD2 -0.02 0.03 -0.03 -0.04 3.22 3.16 3ga0A1 ARG 272 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.10 3ga0A1 ILE 273 H -0.06 0.38 -0.20 -0.55 8.25 7.82 3ga0A1 ILE 273 HA -0.12 0.17 0.82 -0.75 4.18 4.31 3ga0A1 ILE 273 HB -0.05 -0.07 -0.15 -0.04 1.89 1.58 3ga0A1 ILE 273 HG12 -0.07 0.19 0.01 -0.04 1.49 1.58 3ga0A1 ILE 273 HG13 -0.06 -0.03 -0.32 -0.04 1.21 0.77 3ga0A1 ILE 273 HG23 -0.04 0.05 -0.18 -0.04 0.93 0.73 3ga0A1 ILE 273 HD13 -0.04 -0.05 -0.11 -0.04 0.88 0.64 3ga0A1 ARG 274 H -0.26 0.12 -0.27 -0.55 8.46 7.50 3ga0A1 ARG 274 HA -0.16 0.07 0.18 -0.75 4.34 3.68 3ga0A1 ARG 274 HB2 -0.39 0.03 0.14 -0.04 1.90 1.64 3ga0A1 ARG 274 HB3 -0.84 -0.01 -0.07 -0.04 1.80 0.83 3ga0A1 ARG 274 HG2 -0.15 -0.01 0.00 -0.04 1.67 1.47 3ga0A1 ARG 274 HG3 -0.16 -0.04 0.08 -0.04 1.67 1.51 3ga0A1 ARG 274 HD2 -0.52 0.02 0.04 -0.04 3.22 2.72 3ga0A1 ARG 274 HD3 -0.06 0.03 0.05 -0.04 3.22 3.19 3ga0A1 GLY 275 H -0.09 0.14 -0.30 -0.55 8.43 7.63 3ga0A1 GLY 275 HA2 0.14 0.36 0.57 -0.51 4.01 4.57 3ga0A1 GLY 275 HA3 0.43 -0.02 0.36 -0.51 4.01 4.27 3ga0A1 ALA 276 H 0.27 0.61 0.39 -0.55 8.40 9.13 3ga0A1 ALA 276 HA 0.10 0.22 1.03 -0.75 4.34 4.93 3ga0A1 ALA 276 HB3 0.04 -0.01 0.00 -0.04 1.41 1.40 3ga0A1 ALA 277 H -0.04 0.63 0.36 -0.55 8.40 8.79 3ga0A1 ALA 277 HA -0.08 0.20 0.93 -0.75 4.34 4.64 3ga0A1 ALA 277 HB3 -0.19 -0.01 0.01 -0.04 1.41 1.18 3ga0A1 LEU 278 H -0.15 0.80 0.20 -0.55 8.37 8.67 3ga0A1 LEU 278 HA -0.29 0.14 1.13 -0.75 4.35 4.58 3ga0A1 LEU 278 HB2 -0.11 0.10 0.08 -0.04 1.64 1.67 3ga0A1 LEU 278 HB3 -0.41 -0.03 -0.13 -0.04 1.64 1.04 3ga0A1 LEU 278 HG -0.10 -0.02 -0.31 -0.04 1.64 1.16 3ga0A1 LEU 278 HD13 0.00 0.00 -0.09 -0.04 0.93 0.81 3ga0A1 LEU 278 HD23 -0.14 0.05 0.07 -0.04 0.89 0.82 3ga0A1 ASP 279 H -0.29 0.41 0.29 -0.55 8.40 8.27 3ga0A1 ASP 279 HA -0.11 0.21 0.98 -0.75 4.63 4.96 3ga0A1 ASP 279 HB2 -0.00 0.04 0.07 -0.04 2.71 2.78 3ga0A1 ASP 279 HB3 -0.12 0.08 0.17 -0.04 2.70 2.80 3ga0A1 VAL 280 H -0.33 0.26 0.17 -0.55 8.24 7.78 3ga0A1 VAL 280 HA -0.22 0.17 0.97 -0.75 4.13 4.29 3ga0A1 VAL 280 HB -0.11 -0.20 -0.15 -0.04 2.12 1.61 3ga0A1 VAL 280 HG13 -0.46 0.01 -0.12 -0.04 0.97 0.36 3ga0A1 VAL 280 HG23 -0.16 0.13 -0.36 -0.04 0.95 0.52 3ga0A1 HIS 281 H 0.01 0.31 0.02 -0.55 8.41 8.21 3ga0A1 HIS 281 HA -0.02 0.15 0.87 -0.75 4.63 4.89 3ga0A1 HIS 281 HB2 0.02 0.16 0.11 -0.04 3.26 3.51 3ga0A1 HIS 281 HB3 -0.02 -0.01 0.03 -0.04 3.20 3.16 3ga0A1 HIS 281 HD2 -0.11 0.02 -0.11 -0.04 6.97 6.72 3ga0A1 HIS 281 HE1 -0.04 0.09 -0.16 -0.04 7.75 7.60 3ga0A1 GLU 282 H 0.06 0.25 0.03 -0.55 8.60 8.39 3ga0A1 GLU 282 HA 0.12 -0.00 0.24 -0.75 4.29 3.89 3ga0A1 GLU 282 HB2 0.06 -0.34 -0.53 -0.04 2.09 1.24 3ga0A1 GLU 282 HB3 0.10 0.12 0.04 -0.04 1.99 2.21 3ga0A1 GLU 282 HG2 0.10 -0.31 0.03 -0.04 2.34 2.12 3ga0A1 GLU 282 HG3 0.13 0.05 -0.03 -0.04 2.34 2.45 3ga0A1 SER 283 H 0.13 0.23 0.18 -0.55 8.46 8.46 3ga0A1 SER 283 HA 0.09 -0.06 0.62 -0.75 4.49 4.38 3ga0A1 SER 283 HB2 0.10 -0.09 -0.51 -0.04 3.95 3.41 3ga0A1 SER 283 HB3 0.08 0.11 -0.01 -0.04 3.93 4.07 3ga0A1 GLU 284 H 0.08 0.02 0.12 -0.55 8.60 8.27 3ga0A1 GLU 284 HA 0.11 -0.01 -0.01 -0.75 4.29 3.63 3ga0A1 GLU 284 HB2 0.05 -0.03 0.13 -0.04 2.09 2.20 3ga0A1 GLU 284 HB3 0.06 0.07 0.10 -0.04 1.99 2.17 3ga0A1 GLU 284 HG2 0.04 0.04 0.09 -0.04 2.34 2.46 3ga0A1 GLU 284 HG3 0.06 0.04 0.10 -0.04 2.34 2.50 3ga0A1 PRO 285 HA 0.13 -0.02 0.29 -0.51 4.44 4.33 3ga0A1 PRO 285 HB2 0.24 -0.03 0.22 -0.04 2.28 2.67 3ga0A1 PRO 285 HB3 0.16 0.01 0.11 -0.04 2.02 2.26 3ga0A1 PRO 285 HG2 0.07 0.03 0.07 -0.04 2.03 2.16 3ga0A1 PRO 285 HG3 0.06 0.02 0.11 -0.04 2.03 2.18 3ga0A1 PRO 285 HD2 0.06 0.07 0.13 -0.04 3.68 3.90 3ga0A1 PRO 285 HD3 0.07 0.08 0.19 -0.04 3.65 3.95 3ga0A1 PHE 286 H 0.36 0.02 0.43 -0.55 8.34 8.59 3ga0A1 PHE 286 HA 0.01 -0.07 0.20 -0.75 4.62 4.02 3ga0A1 PHE 286 HB2 0.02 0.01 0.19 -0.04 3.15 3.33 3ga0A1 PHE 286 HB3 0.02 -0.03 0.08 -0.04 3.06 3.09 3ga0A1 PHE 286 HD2 0.02 -0.07 0.08 -0.04 7.28 7.27 3ga0A1 PHE 286 HE2 0.02 -0.00 0.02 -0.04 7.38 7.38 3ga0A1 PHE 286 HZ 0.02 0.00 0.02 -0.04 7.32 7.32 3ga0A1 SER 287 H -0.11 0.15 0.21 -0.55 8.46 8.17 3ga0A1 SER 287 HA 0.09 0.32 -0.04 -0.75 4.49 4.10 3ga0A1 SER 287 HB2 -0.09 -0.09 0.23 -0.04 3.95 3.96 3ga0A1 SER 287 HB3 -0.21 0.34 0.54 -0.04 3.93 4.57 3ga0A1 PHE 288 H 0.06 0.16 -0.03 -0.55 8.34 7.97 3ga0A1 PHE 288 HA -0.02 0.09 0.22 -0.75 4.62 4.15 3ga0A1 PHE 288 HB2 -0.09 -0.07 -0.60 -0.04 3.15 2.35 3ga0A1 PHE 288 HB3 -0.05 0.05 -0.06 -0.04 3.06 2.96 3ga0A1 PHE 288 HD2 -0.01 -0.00 0.01 -0.04 7.28 7.23 3ga0A1 PHE 288 HE2 0.05 0.05 0.03 -0.04 7.38 7.46 3ga0A1 PHE 288 HZ 0.10 0.10 0.06 -0.04 7.32 7.54 3ga0A1 SER 289 H 0.14 0.50 -0.73 -0.55 8.46 7.82 3ga0A1 SER 289 HA 0.06 0.20 0.88 -0.75 4.49 4.87 3ga0A1 SER 289 HB2 0.08 -0.00 0.07 -0.04 3.95 4.06 3ga0A1 SER 289 HB3 0.06 0.03 0.07 -0.04 3.93 4.05 3ga0A1 GLN 290 H 0.19 0.09 -0.04 -0.55 8.47 8.16 3ga0A1 GLN 290 HA 0.08 0.25 0.69 -0.75 4.36 4.63 3ga0A1 GLN 290 HB2 0.11 0.03 -0.04 -0.04 2.15 2.21 3ga0A1 GLN 290 HB3 0.13 -0.01 -0.03 -0.04 2.02 2.07 3ga0A1 GLN 290 HG2 0.03 0.00 -0.04 -0.04 2.40 2.35 3ga0A1 GLN 290 HG3 0.05 -0.04 -0.08 -0.04 2.39 2.28 3ga0A1 GLN 290 HE21 0.03 0.06 -0.00 -0.04 6.97 7.02 3ga0A1 GLN 290 HE22 0.04 -0.09 -0.00 -0.04 7.69 7.60 3ga0A1 GLY 291 H 0.06 0.16 -0.00 -0.55 8.43 8.10 3ga0A1 GLY 291 HA2 0.06 0.05 0.29 -0.51 4.01 3.90 3ga0A1 GLY 291 HA3 0.06 0.17 0.71 -0.51 4.01 4.44 3ga0A1 PRO 292 HA 0.04 0.14 0.36 -0.51 4.44 4.47 3ga0A1 PRO 292 HB2 0.03 0.09 -0.23 -0.04 2.28 2.14 3ga0A1 PRO 292 HB3 0.03 0.06 0.01 -0.04 2.02 2.08 3ga0A1 PRO 292 HG2 0.04 -0.10 -0.05 -0.04 2.03 1.89 3ga0A1 PRO 292 HG3 0.05 0.07 0.03 -0.04 2.03 2.13 3ga0A1 PRO 292 HD2 0.05 0.11 0.12 -0.04 3.68 3.92 3ga0A1 PRO 292 HD3 0.05 0.12 0.16 -0.04 3.65 3.95 3ga0A1 LEU 293 H 0.05 0.03 -0.43 -0.55 8.37 7.48 3ga0A1 LEU 293 HA 0.06 0.15 0.22 -0.75 4.35 4.03 3ga0A1 LEU 293 HB2 0.05 -0.07 -0.04 -0.04 1.64 1.53 3ga0A1 LEU 293 HB3 0.08 0.10 0.09 -0.04 1.64 1.86 3ga0A1 LEU 293 HG 0.04 -0.12 -0.06 -0.04 1.64 1.46 3ga0A1 LEU 293 HD13 0.05 -0.00 -0.03 -0.04 0.93 0.91 3ga0A1 LEU 293 HD23 0.04 0.02 -0.08 -0.04 0.89 0.83 3ga0A1 LYS 294 H 0.07 0.23 -1.01 -0.55 8.42 7.16 3ga0A1 LYS 294 HA 0.10 0.06 0.35 -0.75 4.32 4.07 3ga0A1 LYS 294 HB2 0.04 0.02 0.02 -0.04 1.87 1.91 3ga0A1 LYS 294 HB3 0.03 0.01 -0.10 -0.04 1.79 1.69 3ga0A1 LYS 294 HG2 0.07 0.06 -0.32 -0.04 1.46 1.22 3ga0A1 LYS 294 HG3 0.07 0.10 -0.30 -0.04 1.46 1.29 3ga0A1 LYS 294 HD2 0.03 -0.04 -0.04 -0.04 1.69 1.60 3ga0A1 LYS 294 HD3 0.04 0.27 0.01 -0.04 1.68 1.96 3ga0A1 LYS 294 HE2 0.04 -0.05 -0.00 -0.04 2.99 2.93 3ga0A1 LYS 294 HE3 0.05 -0.13 -0.05 -0.04 2.99 2.82 3ga0A1 ASP 295 H 0.04 0.17 0.20 -0.55 8.40 8.27 3ga0A1 ASP 295 HA -0.01 0.02 0.28 -0.75 4.63 4.16 3ga0A1 ASP 295 HB2 0.00 0.15 -0.08 -0.04 2.71 2.73 3ga0A1 ASP 295 HB3 -0.02 -0.01 0.14 -0.04 2.70 2.76 3ga0A1 ALA 296 H 0.09 0.20 -0.74 -0.55 8.40 7.40 3ga0A1 ALA 296 HA 0.02 0.11 0.49 -0.75 4.34 4.21 3ga0A1 ALA 296 HB3 0.07 -0.02 -0.03 -0.04 1.41 1.39 3ga0A1 PRO 297 HA -0.09 -0.02 0.46 -0.51 4.44 4.28 3ga0A1 PRO 297 HB2 -0.12 0.12 -0.06 -0.04 2.28 2.18 3ga0A1 PRO 297 HB3 -0.11 -0.03 0.09 -0.04 2.02 1.93 3ga0A1 PRO 297 HG2 -0.06 0.10 0.06 -0.04 2.03 2.09 3ga0A1 PRO 297 HG3 -0.05 0.05 0.11 -0.04 2.03 2.10 3ga0A1 PRO 297 HD2 -0.03 0.06 -0.02 -0.04 3.68 3.64 3ga0A1 PRO 297 HD3 -0.01 0.14 0.29 -0.04 3.65 4.02 3ga0A1 ASN 298 H -0.35 0.05 0.14 -0.55 8.53 7.83 3ga0A1 ASN 298 HA -1.16 -0.07 0.38 -0.75 4.76 3.16 3ga0A1 ASN 298 HB2 -0.14 0.11 0.33 -0.04 2.88 3.14 3ga0A1 ASN 298 HB3 -0.69 -0.03 0.26 -0.04 2.79 2.28 3ga0A1 ASN 298 HD21 -0.35 -0.00 0.02 -0.04 7.03 6.66 3ga0A1 ASN 298 HD22 -0.88 -0.06 0.08 -0.04 7.74 6.84 3ga0A1 LEU 299 H 0.38 0.11 -0.05 -0.55 8.37 8.26 3ga0A1 LEU 299 HA 0.35 0.26 0.97 -0.75 4.35 5.18 3ga0A1 LEU 299 HB2 0.15 0.14 -0.40 -0.04 1.64 1.49 3ga0A1 LEU 299 HB3 0.24 0.08 -0.05 -0.04 1.64 1.87 3ga0A1 LEU 299 HG 0.09 0.02 -0.32 -0.04 1.64 1.39 3ga0A1 LEU 299 HD13 0.07 -0.03 -0.11 -0.04 0.93 0.83 3ga0A1 LEU 299 HD23 0.12 -0.03 -0.05 -0.04 0.89 0.88 3ga0A1 ILE 300 H 0.26 0.49 0.30 -0.55 8.25 8.75 3ga0A1 ILE 300 HA 0.19 0.10 0.72 -0.75 4.18 4.43 3ga0A1 ILE 300 HB -0.06 -0.02 0.17 -0.04 1.89 1.94 3ga0A1 ILE 300 HG12 -0.40 -0.00 -0.02 -0.04 1.49 1.02 3ga0A1 ILE 300 HG13 -0.67 0.05 -0.06 -0.04 1.21 0.49 3ga0A1 ILE 300 HG23 0.04 -0.02 -0.17 -0.04 0.93 0.74 3ga0A1 ILE 300 HD13 -0.64 -0.01 -0.10 -0.04 0.88 0.09 3ga0A1 CYS 301 H 0.08 0.23 0.18 -0.55 8.50 8.44 3ga0A1 CYS 301 HA 0.03 0.34 0.93 -0.75 4.58 5.12 3ga0A1 CYS 301 HB2 -0.29 -0.02 0.05 -0.04 2.97 2.66 3ga0A1 CYS 301 HB3 -0.01 0.00 -0.04 -0.04 2.97 2.89 3ga0A1 THR 302 H 0.04 0.55 0.34 -0.55 8.28 8.67 3ga0A1 THR 302 HA 0.06 0.25 0.79 -0.75 4.39 4.74 3ga0A1 THR 302 HB 0.04 -0.03 0.03 -0.04 4.32 4.32 3ga0A1 THR 302 HG23 0.05 0.01 -0.12 -0.04 1.22 1.13 3ga0A1 PRO 303 HA 0.19 0.20 0.55 -0.51 4.44 4.87 3ga0A1 PRO 303 HB2 0.08 0.02 0.18 -0.04 2.28 2.52 3ga0A1 PRO 303 HB3 0.06 0.07 0.05 -0.04 2.02 2.16 3ga0A1 PRO 303 HG2 0.02 -0.01 0.07 -0.04 2.03 2.07 3ga0A1 PRO 303 HG3 0.02 0.08 0.07 -0.04 2.03 2.15 3ga0A1 PRO 303 HD2 0.02 0.04 0.11 -0.04 3.68 3.81 3ga0A1 PRO 303 HD3 0.04 0.21 0.17 -0.04 3.65 4.03 3ga0A1 HIS 304 H 0.11 0.68 0.22 -0.55 8.41 8.87 3ga0A1 HIS 304 HA 0.09 0.04 0.37 -0.75 4.63 4.38 3ga0A1 HIS 304 HB2 0.16 0.04 -0.09 -0.04 3.26 3.33 3ga0A1 HIS 304 HB3 0.23 0.10 0.14 -0.04 3.20 3.63 3ga0A1 HIS 304 HD2 0.24 -0.07 0.09 -0.04 6.97 7.17 3ga0A1 HIS 304 HE1 0.04 -0.07 -0.01 -0.04 7.75 7.67 3ga0A1 ALA 305 H 0.05 0.08 -0.14 -0.55 8.40 7.84 3ga0A1 ALA 305 HA -0.36 0.18 0.89 -0.75 4.34 4.30 3ga0A1 ALA 305 HB3 -0.10 0.06 -0.07 -0.04 1.41 1.25 3ga0A1 ALA 306 H 0.04 0.09 -0.02 -0.55 8.40 7.97 3ga0A1 ALA 306 HA -0.02 0.13 0.39 -0.75 4.34 4.08 3ga0A1 ALA 306 HB3 0.08 0.02 0.09 -0.04 1.41 1.55 3ga0A1 TRP 307 H 0.23 0.06 -0.30 -0.55 7.97 7.42 3ga0A1 TRP 307 HA 0.02 0.06 0.33 -0.75 4.62 4.27 3ga0A1 TRP 307 HB2 0.05 -0.08 0.00 -0.04 3.23 3.17 3ga0A1 TRP 307 HB3 0.04 -0.01 0.04 -0.04 3.23 3.25 3ga0A1 TRP 307 HD1 0.11 -0.07 -0.08 -0.04 7.22 7.15 3ga0A1 TRP 307 HE1 0.10 0.34 0.19 -0.04 10.20 10.79 3ga0A1 TRP 307 HE3 0.11 -0.08 -0.34 -0.04 7.59 7.24 3ga0A1 TRP 307 HZ2 0.07 0.06 0.04 -0.04 7.44 7.57 3ga0A1 TRP 307 HZ3 0.22 -0.07 -0.08 -0.04 7.13 7.16 3ga0A1 TRP 307 HH2 0.15 -0.00 -0.01 -0.04 7.19 7.28 3ga0A1 TYR 308 H -0.82 0.25 -0.39 -0.55 8.29 6.78 3ga0A1 TYR 308 HA -0.70 -0.07 0.07 -0.75 4.56 3.11 3ga0A1 TYR 308 HB2 -2.16 -0.02 0.04 -0.04 3.06 0.88 3ga0A1 TYR 308 HB3 -0.87 0.14 0.12 -0.04 2.98 2.33 3ga0A1 TYR 308 HD2 -0.31 0.03 -0.09 -0.04 7.15 6.73 3ga0A1 TYR 308 HE2 -0.08 0.02 -0.10 -0.04 6.85 6.65 3ga0A1 SER 309 H -0.41 0.23 0.24 -0.55 8.46 7.97 3ga0A1 SER 309 HA -1.10 0.16 0.16 -0.75 4.49 2.96 3ga0A1 SER 309 HB2 -0.28 0.04 0.18 -0.04 3.95 3.85 3ga0A1 SER 309 HB3 -0.27 0.24 0.16 -0.04 3.93 4.01 3ga0A1 GLU 310 H -0.44 0.27 0.11 -0.55 8.60 8.00 3ga0A1 GLU 310 HA 0.03 0.07 0.40 -0.75 4.29 4.04 3ga0A1 GLU 310 HB2 0.03 0.09 0.14 -0.04 2.09 2.31 3ga0A1 GLU 310 HB3 -0.06 -0.00 0.18 -0.04 1.99 2.07 3ga0A1 GLU 310 HG2 0.00 0.01 -0.19 -0.04 2.34 2.12 3ga0A1 GLU 310 HG3 0.04 -0.05 -0.03 -0.04 2.34 2.26 3ga0A1 GLN 311 H -0.09 0.15 -0.11 -0.55 8.47 7.88 3ga0A1 GLN 311 HA 0.00 0.09 0.31 -0.75 4.36 4.01 3ga0A1 GLN 311 HB2 -0.03 0.03 0.10 -0.04 2.15 2.21 3ga0A1 GLN 311 HB3 -0.04 0.01 0.02 -0.04 2.02 1.97 3ga0A1 GLN 311 HG2 -0.00 -0.03 0.03 -0.04 2.40 2.36 3ga0A1 GLN 311 HG3 -0.01 0.04 0.04 -0.04 2.39 2.42 3ga0A1 GLN 311 HE21 -0.01 0.04 -0.02 -0.04 6.97 6.94 3ga0A1 GLN 311 HE22 -0.00 -0.00 -0.02 -0.04 7.69 7.63 3ga0A1 ALA 312 H -0.05 0.15 -0.30 -0.55 8.40 7.65 3ga0A1 ALA 312 HA 0.04 0.10 0.52 -0.75 4.34 4.25 3ga0A1 ALA 312 HB3 0.06 -0.00 0.03 -0.04 1.41 1.46 3ga0A1 SER 313 H 0.10 0.54 -0.05 -0.55 8.46 8.50 3ga0A1 SER 313 HA 0.32 0.01 0.47 -0.75 4.49 4.54 3ga0A1 SER 313 HB2 0.33 0.07 0.11 -0.04 3.95 4.42 3ga0A1 SER 313 HB3 0.24 0.05 0.11 -0.04 3.93 4.28 3ga0A1 ILE 314 H 0.09 0.59 0.06 -0.55 8.25 8.45 3ga0A1 ILE 314 HA 0.07 -0.01 0.39 -0.75 4.18 3.88 3ga0A1 ILE 314 HB 0.04 0.09 0.10 -0.04 1.89 2.08 3ga0A1 ILE 314 HG12 0.05 -0.03 0.03 -0.04 1.49 1.50 3ga0A1 ILE 314 HG13 0.06 0.15 0.09 -0.04 1.21 1.47 3ga0A1 ILE 314 HG23 0.03 0.01 -0.07 -0.04 0.93 0.85 3ga0A1 ILE 314 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.79 3ga0A1 GLU 315 H 0.05 0.41 -0.36 -0.55 8.60 8.16 3ga0A1 GLU 315 HA 0.03 0.05 0.36 -0.75 4.29 3.97 3ga0A1 GLU 315 HB2 0.02 0.13 0.17 -0.04 2.09 2.38 3ga0A1 GLU 315 HB3 0.04 0.04 0.23 -0.04 1.99 2.27 3ga0A1 GLU 315 HG2 0.02 -0.08 -0.25 -0.04 2.34 1.99 3ga0A1 GLU 315 HG3 0.02 0.03 0.03 -0.04 2.34 2.37 3ga0A1 MET 316 H 0.07 0.67 -0.02 -0.55 8.47 8.64 3ga0A1 MET 316 HA 0.01 -0.01 0.45 -0.75 4.52 4.21 3ga0A1 MET 316 HB2 -0.02 -0.09 0.09 -0.04 2.15 2.09 3ga0A1 MET 316 HB3 0.04 -0.05 0.14 -0.04 2.03 2.12 3ga0A1 MET 316 HG2 0.12 0.19 0.21 -0.04 2.63 3.11 3ga0A1 MET 316 HG3 0.02 -0.00 -0.18 -0.04 2.56 2.36 3ga0A1 MET 316 HE3 0.28 -0.03 -0.18 -0.04 2.10 2.13 3ga0A1 ARG 317 H 0.06 0.64 -0.21 -0.55 8.46 8.40 3ga0A1 ARG 317 HA -0.01 -0.01 0.42 -0.75 4.34 3.98 3ga0A1 ARG 317 HB2 0.07 0.17 0.11 -0.04 1.90 2.21 3ga0A1 ARG 317 HB3 0.05 -0.10 -0.09 -0.04 1.80 1.62 3ga0A1 ARG 317 HG2 0.10 -0.05 -0.01 -0.04 1.67 1.67 3ga0A1 ARG 317 HG3 0.14 0.08 -0.00 -0.04 1.67 1.84 3ga0A1 ARG 317 HD2 0.21 -0.02 -0.08 -0.04 3.22 3.29 3ga0A1 ARG 317 HD3 0.12 0.02 -0.15 -0.04 3.22 3.16 3ga0A1 GLU 318 H 0.02 0.56 -0.12 -0.55 8.60 8.52 3ga0A1 GLU 318 HA 0.01 0.05 0.40 -0.75 4.29 3.99 3ga0A1 GLU 318 HB2 0.01 0.10 0.13 -0.04 2.09 2.30 3ga0A1 GLU 318 HB3 0.01 -0.01 0.02 -0.04 1.99 1.97 3ga0A1 GLU 318 HG2 0.02 0.03 0.02 -0.04 2.34 2.37 3ga0A1 GLU 318 HG3 0.03 0.11 0.10 -0.04 2.34 2.54 3ga0A1 GLU 319 H 0.00 0.43 -0.14 -0.55 8.60 8.35 3ga0A1 GLU 319 HA -0.01 0.07 0.48 -0.75 4.29 4.08 3ga0A1 GLU 319 HB2 -0.00 0.05 0.12 -0.04 2.09 2.21 3ga0A1 GLU 319 HB3 -0.01 -0.00 0.17 -0.04 1.99 2.11 3ga0A1 GLU 319 HG2 -0.01 -0.09 0.03 -0.04 2.34 2.23 3ga0A1 GLU 319 HG3 -0.02 0.02 -0.15 -0.04 2.34 2.15 3ga0A1 ALA 320 H -0.03 0.63 -0.07 -0.55 8.40 8.39 3ga0A1 ALA 320 HA -0.05 0.01 0.38 -0.75 4.34 3.93 3ga0A1 ALA 320 HB3 -0.08 0.01 0.01 -0.04 1.41 1.32 3ga0A1 ALA 321 H -0.02 0.55 -0.27 -0.55 8.40 8.12 3ga0A1 ALA 321 HA -0.01 -0.03 0.28 -0.75 4.34 3.83 3ga0A1 ALA 321 HB3 0.00 0.03 0.08 -0.04 1.41 1.48 3ga0A1 ARG 322 H -0.01 0.49 -0.22 -0.55 8.46 8.17 3ga0A1 ARG 322 HA -0.00 0.06 0.44 -0.75 4.34 4.07 3ga0A1 ARG 322 HB2 -0.01 0.08 0.17 -0.04 1.90 2.10 3ga0A1 ARG 322 HB3 -0.01 -0.03 0.00 -0.04 1.80 1.72 3ga0A1 ARG 322 HG2 -0.00 -0.02 0.02 -0.04 1.67 1.63 3ga0A1 ARG 322 HG3 -0.00 0.24 0.08 -0.04 1.67 1.95 3ga0A1 ARG 322 HD2 -0.00 -0.03 -0.00 -0.04 3.22 3.14 3ga0A1 ARG 322 HD3 -0.00 0.01 -0.01 -0.04 3.22 3.18 3ga0A1 GLU 323 H -0.02 0.57 -0.09 -0.55 8.60 8.52 3ga0A1 GLU 323 HA -0.02 -0.03 0.44 -0.75 4.29 3.93 3ga0A1 GLU 323 HB2 -0.03 0.03 0.11 -0.04 2.09 2.17 3ga0A1 GLU 323 HB3 -0.04 0.13 0.11 -0.04 1.99 2.16 3ga0A1 GLU 323 HG2 -0.05 -0.02 -0.09 -0.04 2.34 2.15 3ga0A1 GLU 323 HG3 -0.04 0.05 -0.20 -0.04 2.34 2.11 3ga0A1 ILE 324 H -0.03 0.53 -0.20 -0.55 8.25 8.00 3ga0A1 ILE 324 HA -0.02 -0.02 0.29 -0.75 4.18 3.68 3ga0A1 ILE 324 HB -0.01 0.17 0.05 -0.04 1.89 2.06 3ga0A1 ILE 324 HG12 -0.04 0.01 -0.07 -0.04 1.49 1.35 3ga0A1 ILE 324 HG13 -0.02 -0.07 -0.17 -0.04 1.21 0.90 3ga0A1 ILE 324 HG23 -0.00 -0.00 -0.24 -0.04 0.93 0.64 3ga0A1 ILE 324 HD13 -0.03 0.01 -0.17 -0.04 0.88 0.65 3ga0A1 ARG 325 H -0.01 0.40 -0.26 -0.55 8.46 8.04 3ga0A1 ARG 325 HA -0.00 0.04 0.38 -0.75 4.34 4.00 3ga0A1 ARG 325 HB2 0.00 0.04 0.05 -0.04 1.90 1.95 3ga0A1 ARG 325 HB3 -0.00 0.03 0.13 -0.04 1.80 1.92 3ga0A1 ARG 325 HG2 -0.00 -0.04 -0.13 -0.04 1.67 1.46 3ga0A1 ARG 325 HG3 0.00 -0.00 0.02 -0.04 1.67 1.65 3ga0A1 ARG 325 HD2 0.00 0.17 0.02 -0.04 3.22 3.37 3ga0A1 ARG 325 HD3 0.00 -0.06 -0.02 -0.04 3.22 3.10 3ga0A1 ARG 326 H -0.01 0.87 0.02 -0.55 8.46 8.79 3ga0A1 ARG 326 HA -0.01 -0.02 0.35 -0.75 4.34 3.91 3ga0A1 ARG 326 HB2 -0.01 0.04 0.06 -0.04 1.90 1.94 3ga0A1 ARG 326 HB3 -0.01 -0.05 -0.16 -0.04 1.80 1.53 3ga0A1 ARG 326 HG2 -0.01 -0.03 0.00 -0.04 1.67 1.59 3ga0A1 ARG 326 HG3 -0.01 0.17 -0.02 -0.04 1.67 1.78 3ga0A1 ARG 326 HD2 -0.01 -0.17 -0.04 -0.04 3.22 2.96 3ga0A1 ARG 326 HD3 -0.01 0.17 0.00 -0.04 3.22 3.34 3ga0A1 ALA 327 H -0.02 0.64 -0.34 -0.55 8.40 8.13 3ga0A1 ALA 327 HA -0.02 -0.10 0.21 -0.75 4.34 3.68 3ga0A1 ALA 327 HB3 -0.02 0.01 -0.02 -0.04 1.41 1.34 3ga0A1 ILE 328 H -0.01 0.52 -0.06 -0.55 8.25 8.16 3ga0A1 ILE 328 HA -0.00 0.02 0.29 -0.75 4.18 3.74 3ga0A1 ILE 328 HB 0.00 -0.02 0.15 -0.04 1.89 1.99 3ga0A1 ILE 328 HG12 0.00 -0.02 -0.02 -0.04 1.49 1.41 3ga0A1 ILE 328 HG13 -0.00 -0.01 0.01 -0.04 1.21 1.17 3ga0A1 ILE 328 HG23 0.01 0.04 -0.10 -0.04 0.93 0.83 3ga0A1 ILE 328 HD13 0.01 -0.01 -0.15 -0.04 0.88 0.69 3ga0A1 THR 329 H -0.00 0.55 0.03 -0.55 8.28 8.31 3ga0A1 THR 329 HA -0.00 0.11 0.63 -0.75 4.39 4.38 3ga0A1 THR 329 HB 0.00 -0.04 0.08 -0.04 4.32 4.31 3ga0A1 THR 329 HG23 -0.00 0.08 -0.03 -0.04 1.22 1.23 3ga0A1 GLY 330 H -0.01 0.31 -0.30 -0.55 8.43 7.90 3ga0A1 GLY 330 HA2 -0.01 0.03 0.55 -0.51 4.01 4.08 3ga0A1 GLY 330 HA3 -0.01 -0.10 0.42 -0.51 4.01 3.81 3ga0A1 ARG 331 H -0.01 -0.01 0.17 -0.55 8.46 8.06 3ga0A1 ARG 331 HA -0.01 0.29 0.91 -0.75 4.34 4.79 3ga0A1 ARG 331 HB2 -0.01 -0.15 0.07 -0.04 1.90 1.78 3ga0A1 ARG 331 HB3 -0.01 0.10 -0.02 -0.04 1.80 1.84 3ga0A1 ARG 331 HG2 -0.01 0.12 0.05 -0.04 1.67 1.79 3ga0A1 ARG 331 HG3 -0.01 0.03 -0.36 -0.04 1.67 1.29 3ga0A1 ARG 331 HD2 -0.01 -0.09 -0.03 -0.04 3.22 3.06 3ga0A1 ARG 331 HD3 -0.01 0.02 0.00 -0.04 3.22 3.19 3ga0A1 ILE 332 H -0.01 0.31 0.16 -0.55 8.25 8.17 3ga0A1 ILE 332 HA -0.02 -0.06 0.65 -0.75 4.18 4.01 3ga0A1 ILE 332 HB -0.01 0.08 0.12 -0.04 1.89 2.04 3ga0A1 ILE 332 HG12 -0.01 0.03 0.10 -0.04 1.49 1.56 3ga0A1 ILE 332 HG13 -0.01 0.12 0.07 -0.04 1.21 1.34 3ga0A1 ILE 332 HG23 -0.02 0.02 0.03 -0.04 0.93 0.91 3ga0A1 ILE 332 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.75 3ga0A1 PRO 333 HA -0.02 -0.00 0.37 -0.51 4.44 4.28 3ga0A1 PRO 333 HB2 -0.02 -0.02 0.18 -0.04 2.28 2.38 3ga0A1 PRO 333 HB3 -0.02 0.01 0.11 -0.04 2.02 2.07 3ga0A1 PRO 333 HG2 -0.01 0.02 0.02 -0.04 2.03 2.02 3ga0A1 PRO 333 HG3 -0.01 0.07 0.02 -0.04 2.03 2.08 3ga0A1 PRO 333 HD2 -0.01 0.06 0.18 -0.04 3.68 3.87 3ga0A1 PRO 333 HD3 -0.01 0.22 0.12 -0.04 3.65 3.94 3ga0A1 ASP 334 H -0.01 0.29 -0.24 -0.55 8.40 7.89 3ga0A1 ASP 334 HA -0.01 0.11 0.54 -0.75 4.63 4.52 3ga0A1 ASP 334 HB2 -0.01 0.01 0.10 -0.04 2.71 2.77 3ga0A1 ASP 334 HB3 -0.01 -0.01 0.00 -0.04 2.70 2.64 3ga0A1 SER 335 H -0.01 0.55 0.23 -0.55 8.46 8.68 3ga0A1 SER 335 HA -0.01 0.04 0.29 -0.75 4.49 4.05 3ga0A1 SER 335 HB2 -0.01 0.08 -0.11 -0.04 3.95 3.87 3ga0A1 SER 335 HB3 -0.01 -0.00 0.06 -0.04 3.93 3.93 3ga0A1 LEU 336 H -0.02 0.04 -0.60 -0.55 8.37 7.25 3ga0A1 LEU 336 HA -0.02 -0.05 0.23 -0.75 4.35 3.76 3ga0A1 LEU 336 HB2 -0.03 0.10 -0.08 -0.04 1.64 1.59 3ga0A1 LEU 336 HB3 -0.04 -0.15 -0.09 -0.04 1.64 1.33 3ga0A1 LEU 336 HG -0.02 -0.02 -0.16 -0.04 1.64 1.40 3ga0A1 LEU 336 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.78 3ga0A1 LEU 336 HD23 -0.03 0.01 -0.20 -0.04 0.89 0.63 3ga0A1 LYS 337 H -0.02 0.03 0.19 -0.55 8.42 8.07 3ga0A1 LYS 337 HA -0.01 0.27 0.76 -0.75 4.32 4.58 3ga0A1 LYS 337 HB2 -0.01 -0.07 0.15 -0.04 1.87 1.90 3ga0A1 LYS 337 HB3 -0.01 -0.04 0.03 -0.04 1.79 1.72 3ga0A1 LYS 337 HG2 -0.01 0.08 0.06 -0.04 1.46 1.55 3ga0A1 LYS 337 HG3 -0.01 0.09 0.04 -0.04 1.46 1.53 3ga0A1 LYS 337 HD2 -0.01 -0.05 0.02 -0.04 1.69 1.61 3ga0A1 LYS 337 HD3 -0.01 -0.05 0.03 -0.04 1.68 1.62 3ga0A1 LYS 337 HE2 -0.00 -0.05 0.01 -0.04 2.99 2.91 3ga0A1 LYS 337 HE3 -0.01 0.04 0.02 -0.04 2.99 3.00 3ga0A1 ASN 338 H -0.03 0.01 -0.02 -0.55 8.53 7.94 3ga0A1 ASN 338 HA -0.02 0.29 0.95 -0.75 4.76 5.23 3ga0A1 ASN 338 HB2 -0.03 -0.05 0.20 -0.04 2.88 2.96 3ga0A1 ASN 338 HB3 -0.02 -0.00 0.36 -0.04 2.79 3.08 3ga0A1 ASN 338 HD21 -0.01 -0.03 -0.02 -0.04 7.03 6.93 3ga0A1 ASN 338 HD22 -0.02 -0.02 0.00 -0.04 7.74 7.66 3ga0A1 CYS 339 H -0.04 0.25 -0.22 -0.55 8.50 7.95 3ga0A1 CYS 339 HA -0.09 0.12 0.65 -0.75 4.58 4.50 3ga0A1 CYS 339 HB2 -0.05 0.03 0.00 -0.04 2.97 2.92 3ga0A1 CYS 339 HB3 -0.04 0.07 0.04 -0.04 2.97 2.99 3ga0A1 VAL 340 H -0.18 0.68 0.42 -0.55 8.24 8.61 3ga0A1 VAL 340 HA -0.12 0.22 0.96 -0.75 4.13 4.44 3ga0A1 VAL 340 HB -0.62 -0.07 0.08 -0.04 2.12 1.48 3ga0A1 VAL 340 HG13 -0.18 0.04 -0.19 -0.04 0.97 0.60 3ga0A1 VAL 340 HG23 -0.90 0.03 -0.26 -0.04 0.95 -0.22 3ga0A1 ASN 341 H -0.12 0.18 0.09 -0.55 8.53 8.13 3ga0A1 ASN 341 HA 0.07 0.15 0.72 -0.75 4.76 4.94 3ga0A1 ASN 341 HB2 -0.08 0.03 0.14 -0.04 2.88 2.93 3ga0A1 ASN 341 HB3 -0.20 -0.02 -0.05 -0.04 2.79 2.48 3ga0A1 ASN 341 HD21 -0.09 0.34 0.08 -0.04 7.03 7.33 3ga0A1 ASN 341 HD22 -0.14 0.45 0.21 -0.04 7.74 8.22 3ga0A1 LYS 342 H -0.00 0.20 -0.16 -0.55 8.42 7.90 3ga0A1 LYS 342 HA -0.01 0.15 0.55 -0.75 4.32 4.26 3ga0A1 LYS 342 HB2 -0.01 0.01 0.05 -0.04 1.87 1.87 3ga0A1 LYS 342 HB3 -0.01 -0.01 0.01 -0.04 1.79 1.74 3ga0A1 LYS 342 HG2 -0.01 0.03 0.04 -0.04 1.46 1.49 3ga0A1 LYS 342 HG3 -0.01 0.07 0.04 -0.04 1.46 1.52 3ga0A1 LYS 342 HD2 -0.01 0.02 -0.01 -0.04 1.69 1.64 3ga0A1 LYS 342 HD3 -0.01 -0.04 -0.07 -0.04 1.68 1.52 3ga0A1 LYS 342 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.92 3ga0A1 LYS 342 HE3 -0.01 0.06 -0.01 -0.04 2.99 2.98 3ga0A1 ASP 343 H 0.05 0.02 -0.18 -0.55 8.40 7.74 3ga0A1 ASP 343 HA -0.07 0.14 0.29 -0.75 4.63 4.23 3ga0A1 ASP 343 HB2 -0.14 -0.04 -0.01 -0.04 2.71 2.48 3ga0A1 ASP 343 HB3 -0.26 0.04 0.04 -0.04 2.70 2.48 3ga0A1 HIS 344 H 0.16 0.18 -0.60 -0.55 8.41 7.60 3ga0A1 HIS 344 HA -0.01 0.22 0.72 -0.75 4.63 4.80 3ga0A1 HIS 344 HB2 -0.03 0.07 0.11 -0.04 3.26 3.37 3ga0A1 HIS 344 HB3 -0.01 0.05 0.19 -0.04 3.20 3.39 3ga0A1 HIS 344 HD2 -0.00 0.01 0.02 -0.04 6.97 6.95 3ga0A1 HIS 344 HE1 -0.00 0.00 -0.02 -0.04 7.75 7.68 3ga0A1 LEU 345 H 0.02 0.27 -0.25 -0.55 8.37 7.86 3ga0A1 LEU 345 HA 0.02 0.15 0.48 -0.75 4.35 4.26 3ga0A1 LEU 345 HB2 0.00 0.08 0.15 -0.04 1.64 1.83 3ga0A1 LEU 345 HB3 -0.00 0.04 -0.07 -0.04 1.64 1.56 3ga0A1 LEU 345 HG -0.00 0.03 -0.04 -0.04 1.64 1.59 3ga0A1 LEU 345 HD13 -0.02 -0.02 -0.02 -0.04 0.93 0.83 3ga0A1 LEU 345 HD23 -0.01 0.02 -0.23 -0.04 0.89 0.63 3ga0A1 THR 346 H 0.01 0.47 0.16 -0.55 8.28 8.37 3ga0A1 THR 346 HA 0.00 0.16 0.55 -0.75 4.39 4.35 3ga0A1 THR 346 HB 0.01 0.10 0.00 -0.04 4.32 4.38 3ga0A1 THR 346 HG23 0.00 -0.01 0.03 -0.04 1.22 1.20