============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 5 0.840 84.399 -85.984 39.666 -99.200 -91.000 HIS 62 0.900 78.751 -91.767 38.429 -99.200 -91.000 HIS 106 0.900 95.671 -92.593 23.745 -99.200 -91.000 TYR 114 0.840 87.418-103.704 25.574 -99.200 -91.000 PHE 251 1.000 10.292 -81.898 15.299 -99.200 -91.000 PHE 275 1.000 32.470-107.172 22.954 -99.200 -91.000 HIS 286 0.900 12.857-101.523 25.666 -99.200 -91.000 TYR 287 0.840 13.500 -99.504 20.792 -99.200 -91.000 PHE 345 1.000 36.663-114.715 31.467 -99.200 -91.000 HIS 351 0.900 43.829-118.820 11.403 -99.200 -91.000 HIS 365 0.900 53.770-107.093 45.858 -99.200 -91.000 TYR 408 0.840 90.302-111.746 15.498 -99.200 -91.000 PHE 423 1.000 84.640-107.956 23.422 -99.200 -91.000 HIS 453 0.900 83.317-125.090 25.183 -99.200 -91.000 PHE 466 1.000 68.754-126.639 38.082 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3kfbG1 ASN 11 HA -0.03 -0.07 0.26 -0.75 4.76 4.17 3kfbG1 ASN 11 HB2 -0.02 -0.05 -0.03 -0.04 2.88 2.74 3kfbG1 ASN 11 HB3 -0.02 -0.00 0.06 -0.04 2.79 2.79 3kfbG1 ASN 11 HD21 -0.01 0.00 0.01 -0.04 7.03 6.99 3kfbG1 ASN 11 HD22 -0.02 -0.03 -0.05 -0.04 7.74 7.61 3kfbG1 MET 12 H -0.05 -0.02 0.03 -0.55 8.47 7.88 3kfbG1 MET 12 HA -0.04 0.11 0.38 -0.75 4.52 4.22 3kfbG1 MET 12 HB2 -0.04 0.06 0.17 -0.04 2.15 2.29 3kfbG1 MET 12 HB3 -0.04 0.03 -0.02 -0.04 2.03 1.97 3kfbG1 MET 12 HG2 -0.02 0.07 0.06 -0.04 2.63 2.70 3kfbG1 MET 12 HG3 -0.03 0.01 -0.05 -0.04 2.56 2.45 3kfbG1 MET 12 HE3 -0.01 0.03 0.02 -0.04 2.10 2.09 3kfbG1 LYS 13 H -0.09 0.31 0.24 -0.55 8.42 8.31 3kfbG1 LYS 13 HA -0.16 0.19 0.91 -0.75 4.32 4.51 3kfbG1 LYS 13 HB2 -0.13 0.09 0.15 -0.04 1.87 1.95 3kfbG1 LYS 13 HB3 -0.31 -0.04 -0.03 -0.04 1.79 1.37 3kfbG1 LYS 13 HG2 -0.07 0.05 0.02 -0.04 1.46 1.41 3kfbG1 LYS 13 HG3 -0.06 -0.03 -0.33 -0.04 1.46 1.00 3kfbG1 LYS 13 HD2 -0.02 0.00 -0.08 -0.04 1.69 1.56 3kfbG1 LYS 13 HD3 0.02 -0.03 -0.05 -0.04 1.68 1.59 3kfbG1 LYS 13 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 3kfbG1 LYS 13 HE3 -0.01 -0.00 -0.08 -0.04 2.99 2.86 3kfbG1 ARG 14 H -0.27 0.26 0.11 -0.55 8.46 8.01 3kfbG1 ARG 14 HA -0.30 0.32 1.06 -0.75 4.34 4.67 3kfbG1 ARG 14 HB2 -0.11 0.01 -0.15 -0.04 1.90 1.61 3kfbG1 ARG 14 HB3 -0.10 -0.02 0.03 -0.04 1.80 1.68 3kfbG1 ARG 14 HG2 -0.05 -0.09 -0.25 -0.04 1.67 1.24 3kfbG1 ARG 14 HG3 -0.07 0.23 0.10 -0.04 1.67 1.89 3kfbG1 ARG 14 HD2 -0.02 -0.04 -0.08 -0.04 3.22 3.04 3kfbG1 ARG 14 HD3 -0.04 0.03 -0.07 -0.04 3.22 3.09 3kfbG1 TYR 15 H -0.17 0.26 0.23 -0.55 8.29 8.06 3kfbG1 TYR 15 HA -0.00 0.18 0.92 -0.75 4.56 4.91 3kfbG1 TYR 15 HB2 0.01 -0.05 0.01 -0.04 3.06 2.98 3kfbG1 TYR 15 HB3 0.01 -0.03 -0.23 -0.04 2.98 2.69 3kfbG1 TYR 15 HD2 0.00 0.00 -0.06 -0.04 7.15 7.05 3kfbG1 TYR 15 HE2 -0.02 0.02 -0.08 -0.04 6.85 6.72 3kfbG1 MET 16 H 0.10 0.20 0.17 -0.55 8.47 8.39 3kfbG1 MET 16 HA 0.04 0.20 0.75 -0.75 4.52 4.75 3kfbG1 MET 16 HB2 0.03 -0.02 0.19 -0.04 2.15 2.31 3kfbG1 MET 16 HB3 0.02 0.04 0.03 -0.04 2.03 2.07 3kfbG1 MET 16 HG2 0.01 0.01 -0.14 -0.04 2.63 2.47 3kfbG1 MET 16 HG3 0.01 0.04 0.01 -0.04 2.56 2.58 3kfbG1 MET 16 HE3 0.00 0.00 0.01 -0.04 2.10 2.07 3kfbG1 GLY 17 H 0.02 0.60 0.40 -0.55 8.43 8.90 3kfbG1 GLY 17 HA2 -0.00 0.17 0.52 -0.51 4.01 4.18 3kfbG1 GLY 17 HA3 -0.00 -0.00 0.34 -0.51 4.01 3.84 3kfbG1 ARG 18 H -0.00 0.18 0.28 -0.55 8.46 8.37 3kfbG1 ARG 18 HA -0.01 0.10 0.49 -0.75 4.34 4.17 3kfbG1 ARG 18 HB2 -0.00 0.01 0.14 -0.04 1.90 2.01 3kfbG1 ARG 18 HB3 -0.01 0.03 0.10 -0.04 1.80 1.88 3kfbG1 ARG 18 HG2 -0.02 0.08 0.06 -0.04 1.67 1.75 3kfbG1 ARG 18 HG3 -0.02 -0.05 0.09 -0.04 1.67 1.64 3kfbG1 ARG 18 HD2 -0.01 -0.03 0.09 -0.04 3.22 3.24 3kfbG1 ARG 18 HD3 -0.01 0.04 0.05 -0.04 3.22 3.26 3kfbG1 ASP 19 H 0.02 0.50 -0.07 -0.55 8.40 8.31 3kfbG1 ASP 19 HA -0.01 0.13 0.57 -0.75 4.63 4.56 3kfbG1 ASP 19 HB2 0.08 -0.05 0.06 -0.04 2.71 2.77 3kfbG1 ASP 19 HB3 0.05 0.00 -0.04 -0.04 2.70 2.66 3kfbG1 ALA 20 H 0.06 0.18 -0.68 -0.55 8.40 7.42 3kfbG1 ALA 20 HA 0.07 0.02 0.36 -0.75 4.34 4.04 3kfbG1 ALA 20 HB3 0.09 0.12 -0.29 -0.04 1.41 1.29 3kfbG1 GLN 21 H 0.01 0.56 -0.22 -0.55 8.47 8.27 3kfbG1 GLN 21 HA 0.00 0.14 0.49 -0.75 4.36 4.24 3kfbG1 GLN 21 HB2 -0.01 0.01 0.11 -0.04 2.15 2.21 3kfbG1 GLN 21 HB3 -0.02 -0.04 -0.01 -0.04 2.02 1.91 3kfbG1 GLN 21 HG2 -0.01 0.15 0.10 -0.04 2.40 2.60 3kfbG1 GLN 21 HG3 -0.01 0.00 0.13 -0.04 2.39 2.47 3kfbG1 GLN 21 HE21 -0.08 -0.09 0.01 -0.04 6.97 6.77 3kfbG1 GLN 21 HE22 -0.04 0.05 0.01 -0.04 7.69 7.67 3kfbG1 ARG 22 H -0.02 0.38 -0.29 -0.55 8.46 7.97 3kfbG1 ARG 22 HA -0.03 0.04 0.51 -0.75 4.34 4.11 3kfbG1 ARG 22 HB2 -0.02 0.14 0.15 -0.04 1.90 2.12 3kfbG1 ARG 22 HB3 -0.04 0.03 0.08 -0.04 1.80 1.83 3kfbG1 ARG 22 HG2 -0.04 -0.04 -0.03 -0.04 1.67 1.53 3kfbG1 ARG 22 HG3 -0.03 -0.03 0.05 -0.04 1.67 1.62 3kfbG1 ARG 22 HD2 -0.02 -0.01 -0.01 -0.04 3.22 3.14 3kfbG1 ARG 22 HD3 -0.02 0.03 0.01 -0.04 3.22 3.20 3kfbG1 MET 23 H -0.05 0.46 -0.32 -0.55 8.47 8.01 3kfbG1 MET 23 HA -0.08 0.03 0.40 -0.75 4.52 4.11 3kfbG1 MET 23 HB2 -0.23 0.17 0.11 -0.04 2.15 2.16 3kfbG1 MET 23 HB3 -0.04 0.05 0.09 -0.04 2.03 2.10 3kfbG1 MET 23 HG2 -0.41 -0.03 -0.05 -0.04 2.63 2.10 3kfbG1 MET 23 HG3 0.20 -0.07 -0.12 -0.04 2.56 2.53 3kfbG1 MET 23 HE3 -0.05 -0.01 -0.02 -0.04 2.10 1.98 3kfbG1 ASN 24 H 0.00 0.50 -0.22 -0.55 8.53 8.27 3kfbG1 ASN 24 HA -0.03 -0.06 0.46 -0.75 4.76 4.38 3kfbG1 ASN 24 HB2 0.01 0.17 0.11 -0.04 2.88 3.13 3kfbG1 ASN 24 HB3 0.02 -0.05 -0.01 -0.04 2.79 2.72 3kfbG1 ASN 24 HD21 0.07 -0.07 -0.07 -0.04 7.03 6.92 3kfbG1 ASN 24 HD22 0.04 0.14 0.00 -0.04 7.74 7.88 3kfbG1 ILE 25 H -0.03 0.60 -0.06 -0.55 8.25 8.22 3kfbG1 ILE 25 HA -0.03 0.01 0.29 -0.75 4.18 3.70 3kfbG1 ILE 25 HB -0.03 0.06 0.12 -0.04 1.89 2.01 3kfbG1 ILE 25 HG12 -0.01 -0.06 0.05 -0.04 1.49 1.43 3kfbG1 ILE 25 HG13 -0.01 0.16 0.11 -0.04 1.21 1.42 3kfbG1 ILE 25 HG23 -0.02 -0.03 -0.21 -0.04 0.93 0.63 3kfbG1 ILE 25 HD13 -0.02 0.00 -0.04 -0.04 0.88 0.79 3kfbG1 LEU 26 H -0.06 0.42 -0.51 -0.55 8.37 7.67 3kfbG1 LEU 26 HA -0.06 0.04 0.53 -0.75 4.35 4.11 3kfbG1 LEU 26 HB2 -0.06 0.27 0.14 -0.04 1.64 1.96 3kfbG1 LEU 26 HB3 -0.09 0.06 0.05 -0.04 1.64 1.62 3kfbG1 LEU 26 HG -0.04 -0.03 0.03 -0.04 1.64 1.55 3kfbG1 LEU 26 HD13 -0.04 -0.00 -0.03 -0.04 0.93 0.82 3kfbG1 LEU 26 HD23 -0.06 -0.03 -0.12 -0.04 0.89 0.65 3kfbG1 ALA 27 H -0.19 0.45 -0.12 -0.55 8.40 8.00 3kfbG1 ALA 27 HA -0.23 0.03 0.48 -0.75 4.34 3.86 3kfbG1 ALA 27 HB3 -0.74 0.00 0.12 -0.04 1.41 0.75 3kfbG1 GLY 28 H -0.10 0.55 -0.30 -0.55 8.43 8.03 3kfbG1 GLY 28 HA2 -0.05 0.03 0.51 -0.51 4.01 3.99 3kfbG1 GLY 28 HA3 -0.04 0.11 0.21 -0.51 4.01 3.77 3kfbG1 ARG 29 H -0.05 0.53 -0.09 -0.55 8.46 8.29 3kfbG1 ARG 29 HA -0.03 0.01 0.47 -0.75 4.34 4.03 3kfbG1 ARG 29 HB2 -0.04 0.10 0.22 -0.04 1.90 2.13 3kfbG1 ARG 29 HB3 -0.03 -0.05 0.02 -0.04 1.80 1.69 3kfbG1 ARG 29 HG2 -0.02 0.01 0.09 -0.04 1.67 1.70 3kfbG1 ARG 29 HG3 -0.03 0.19 0.10 -0.04 1.67 1.89 3kfbG1 ARG 29 HD2 -0.02 -0.07 -0.03 -0.04 3.22 3.06 3kfbG1 ARG 29 HD3 -0.03 0.01 -0.05 -0.04 3.22 3.11 3kfbG1 ILE 30 H -0.06 0.33 -0.48 -0.55 8.25 7.48 3kfbG1 ILE 30 HA -0.03 0.09 0.39 -0.75 4.18 3.87 3kfbG1 ILE 30 HB -0.06 0.20 0.09 -0.04 1.89 2.09 3kfbG1 ILE 30 HG12 -0.03 -0.02 0.02 -0.04 1.49 1.42 3kfbG1 ILE 30 HG13 -0.03 -0.00 0.03 -0.04 1.21 1.17 3kfbG1 ILE 30 HG23 -0.06 0.02 -0.03 -0.04 0.93 0.82 3kfbG1 ILE 30 HD13 -0.03 -0.01 -0.02 -0.04 0.88 0.79 3kfbG1 ILE 31 H -0.04 0.34 -0.15 -0.55 8.25 7.85 3kfbG1 ILE 31 HA -0.02 0.17 0.80 -0.75 4.18 4.37 3kfbG1 ILE 31 HB -0.01 -0.02 0.07 -0.04 1.89 1.88 3kfbG1 ILE 31 HG12 -0.03 0.12 0.14 -0.04 1.49 1.68 3kfbG1 ILE 31 HG13 -0.02 0.05 -0.40 -0.04 1.21 0.80 3kfbG1 ILE 31 HG23 -0.02 0.03 0.02 -0.04 0.93 0.92 3kfbG1 ILE 31 HD13 -0.01 -0.04 -0.06 -0.04 0.88 0.72 3kfbG1 ALA 32 H -0.03 0.36 -0.34 -0.55 8.40 7.84 3kfbG1 ALA 32 HA -0.02 0.05 0.64 -0.75 4.34 4.25 3kfbG1 ALA 32 HB3 -0.03 0.04 0.07 -0.04 1.41 1.46 3kfbG1 GLU 33 H -0.02 0.30 -0.34 -0.55 8.60 7.99 3kfbG1 GLU 33 HA -0.02 0.06 0.62 -0.75 4.29 4.19 3kfbG1 GLU 33 HB2 -0.02 0.11 0.11 -0.04 2.09 2.25 3kfbG1 GLU 33 HB3 -0.02 -0.03 0.09 -0.04 1.99 1.98 3kfbG1 GLU 33 HG2 -0.02 -0.06 0.03 -0.04 2.34 2.25 3kfbG1 GLU 33 HG3 -0.03 0.20 0.06 -0.04 2.34 2.53 3kfbG1 THR 34 H -0.02 0.11 -0.61 -0.55 8.28 7.22 3kfbG1 THR 34 HA -0.01 0.11 0.43 -0.75 4.39 4.16 3kfbG1 THR 34 HB -0.01 0.14 0.05 -0.04 4.32 4.45 3kfbG1 THR 34 HG23 -0.01 -0.01 -0.06 -0.04 1.22 1.10 3kfbG1 VAL 35 H -0.02 0.20 -0.37 -0.55 8.24 7.50 3kfbG1 VAL 35 HA -0.01 0.29 0.94 -0.75 4.13 4.59 3kfbG1 VAL 35 HB -0.01 -0.10 0.11 -0.04 2.12 2.08 3kfbG1 VAL 35 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.83 3kfbG1 VAL 35 HG23 -0.01 0.02 -0.02 -0.04 0.95 0.89 3kfbG1 ARG 36 H -0.02 0.21 -0.35 -0.55 8.46 7.75 3kfbG1 ARG 36 HA -0.02 -0.01 0.30 -0.75 4.34 3.85 3kfbG1 ARG 36 HB2 -0.02 0.12 0.14 -0.04 1.90 2.10 3kfbG1 ARG 36 HB3 -0.02 0.01 -0.02 -0.04 1.80 1.73 3kfbG1 ARG 36 HG2 -0.03 -0.06 0.07 -0.04 1.67 1.62 3kfbG1 ARG 36 HG3 -0.02 0.20 0.11 -0.04 1.67 1.91 3kfbG1 ARG 36 HD2 -0.03 -0.02 -0.03 -0.04 3.22 3.10 3kfbG1 ARG 36 HD3 -0.02 -0.01 0.04 -0.04 3.22 3.19 3kfbG1 SER 37 H -0.02 0.17 -0.40 -0.55 8.46 7.67 3kfbG1 SER 37 HA -0.02 0.14 0.48 -0.75 4.49 4.34 3kfbG1 SER 37 HB2 -0.01 0.01 0.13 -0.04 3.95 4.04 3kfbG1 SER 37 HB3 -0.01 -0.01 0.04 -0.04 3.93 3.90 3kfbG1 THR 38 H -0.01 0.44 -0.38 -0.55 8.28 7.77 3kfbG1 THR 38 HA -0.01 0.25 0.72 -0.75 4.39 4.60 3kfbG1 THR 38 HB -0.00 0.02 0.19 -0.04 4.32 4.48 3kfbG1 THR 38 HG23 -0.01 0.02 -0.01 -0.04 1.22 1.18 3kfbG1 LEU 39 H -0.02 0.28 -0.23 -0.55 8.37 7.86 3kfbG1 LEU 39 HA -0.01 -0.08 0.22 -0.75 4.35 3.72 3kfbG1 LEU 39 HB2 -0.02 0.05 0.09 -0.04 1.64 1.72 3kfbG1 LEU 39 HB3 -0.03 0.09 0.03 -0.04 1.64 1.70 3kfbG1 LEU 39 HG -0.02 -0.12 -0.03 -0.04 1.64 1.44 3kfbG1 LEU 39 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.73 3kfbG1 LEU 39 HD23 -0.03 0.00 -0.19 -0.04 0.89 0.64 3kfbG1 GLY 40 H -0.01 0.07 0.24 -0.55 8.43 8.18 3kfbG1 GLY 40 HA2 -0.03 -0.06 0.38 -0.51 4.01 3.80 3kfbG1 GLY 40 HA3 -0.05 0.18 0.81 -0.51 4.01 4.45 3kfbG1 PRO 41 HA 0.04 -0.13 0.63 -0.51 4.44 4.46 3kfbG1 PRO 41 HB2 -0.20 0.11 -0.00 -0.04 2.28 2.14 3kfbG1 PRO 41 HB3 0.22 -0.06 0.11 -0.04 2.02 2.25 3kfbG1 PRO 41 HG2 -0.10 0.03 0.07 -0.04 2.03 1.99 3kfbG1 PRO 41 HG3 0.05 0.07 -0.00 -0.04 2.03 2.11 3kfbG1 PRO 41 HD2 -0.11 0.15 0.25 -0.04 3.68 3.93 3kfbG1 PRO 41 HD3 -0.03 0.10 0.18 -0.04 3.65 3.87 3kfbG1 LYS 42 H -0.09 0.10 -0.15 -0.55 8.42 7.72 3kfbG1 LYS 42 HA -0.02 0.14 0.69 -0.75 4.32 4.37 3kfbG1 LYS 42 HB2 -0.10 -0.02 -0.12 -0.04 1.87 1.59 3kfbG1 LYS 42 HB3 -0.06 0.18 0.14 -0.04 1.79 2.01 3kfbG1 LYS 42 HG2 -0.29 -0.23 -0.16 -0.04 1.46 0.74 3kfbG1 LYS 42 HG3 -0.22 0.02 0.02 -0.04 1.46 1.24 3kfbG1 LYS 42 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 3kfbG1 LYS 42 HD3 -0.09 -0.07 -0.06 -0.04 1.68 1.41 3kfbG1 LYS 42 HE2 -0.07 0.09 0.12 -0.04 2.99 3.09 3kfbG1 LYS 42 HE3 -0.04 0.11 0.12 -0.04 2.99 3.14 3kfbG1 GLY 43 H -0.02 0.04 -0.89 -0.55 8.43 7.02 3kfbG1 GLY 43 HA2 -0.02 0.14 0.54 -0.51 4.01 4.17 3kfbG1 GLY 43 HA3 -0.02 0.11 -0.23 -0.51 4.01 3.37 3kfbG1 MET 44 H -0.01 0.74 0.34 -0.55 8.47 9.00 3kfbG1 MET 44 HA -0.00 0.09 0.76 -0.75 4.52 4.62 3kfbG1 MET 44 HB2 -0.01 0.00 0.03 -0.04 2.15 2.14 3kfbG1 MET 44 HB3 -0.01 -0.04 0.06 -0.04 2.03 2.00 3kfbG1 MET 44 HG2 -0.01 0.08 -0.20 -0.04 2.63 2.46 3kfbG1 MET 44 HG3 -0.01 -0.03 0.00 -0.04 2.56 2.48 3kfbG1 MET 44 HE3 0.00 0.01 -0.15 -0.04 2.10 1.92 3kfbG1 ASP 45 H -0.00 0.05 0.11 -0.55 8.40 8.01 3kfbG1 ASP 45 HA -0.00 0.17 0.57 -0.75 4.63 4.61 3kfbG1 ASP 45 HB2 -0.00 -0.04 -0.03 -0.04 2.71 2.59 3kfbG1 ASP 45 HB3 -0.00 -0.02 -0.10 -0.04 2.70 2.54 3kfbG1 LYS 46 H -0.00 0.50 0.31 -0.55 8.42 8.67 3kfbG1 LYS 46 HA -0.01 0.17 0.89 -0.75 4.32 4.62 3kfbG1 LYS 46 HB2 -0.01 -0.03 0.06 -0.04 1.87 1.85 3kfbG1 LYS 46 HB3 -0.01 0.01 0.02 -0.04 1.79 1.77 3kfbG1 LYS 46 HG2 -0.01 0.01 -0.24 -0.04 1.46 1.18 3kfbG1 LYS 46 HG3 -0.01 -0.02 -0.03 -0.04 1.46 1.36 3kfbG1 LYS 46 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.62 3kfbG1 LYS 46 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.60 3kfbG1 LYS 46 HE2 -0.01 -0.06 -0.09 -0.04 2.99 2.79 3kfbG1 LYS 46 HE3 -0.01 0.55 0.13 -0.04 2.99 3.63 3kfbG1 MET 47 H -0.01 0.22 0.13 -0.55 8.47 8.25 3kfbG1 MET 47 HA -0.03 0.16 1.01 -0.75 4.52 4.91 3kfbG1 MET 47 HB2 -0.03 -0.01 -0.04 -0.04 2.15 2.03 3kfbG1 MET 47 HB3 -0.02 0.01 0.12 -0.04 2.03 2.10 3kfbG1 MET 47 HG2 -0.03 -0.01 -0.30 -0.04 2.63 2.25 3kfbG1 MET 47 HG3 -0.06 -0.02 -0.18 -0.04 2.56 2.27 3kfbG1 MET 47 HE3 -0.02 0.00 -0.05 -0.04 2.10 1.99 3kfbG1 LEU 48 H -0.02 0.54 0.17 -0.55 8.37 8.52 3kfbG1 LEU 48 HA -0.01 0.17 1.04 -0.75 4.35 4.79 3kfbG1 LEU 48 HB2 -0.00 0.06 0.21 -0.04 1.64 1.87 3kfbG1 LEU 48 HB3 0.00 0.09 0.03 -0.04 1.64 1.72 3kfbG1 LEU 48 HG -0.00 -0.00 -0.06 -0.04 1.64 1.53 3kfbG1 LEU 48 HD13 -0.00 -0.06 -0.22 -0.04 0.93 0.60 3kfbG1 LEU 48 HD23 0.00 0.05 -0.02 -0.04 0.89 0.88 3kfbG1 VAL 49 H -0.01 0.24 0.21 -0.55 8.24 8.13 3kfbG1 VAL 49 HA -0.00 0.26 0.88 -0.75 4.13 4.51 3kfbG1 VAL 49 HB -0.01 0.02 0.04 -0.04 2.12 2.13 3kfbG1 VAL 49 HG13 -0.00 0.05 -0.13 -0.04 0.97 0.85 3kfbG1 VAL 49 HG23 -0.02 0.00 -0.20 -0.04 0.95 0.69 3kfbG1 ASP 50 H 0.01 0.19 0.09 -0.55 8.40 8.14 3kfbG1 ASP 50 HA 0.00 0.29 0.93 -0.75 4.63 5.09 3kfbG1 ASP 50 HB2 0.01 -0.12 0.23 -0.04 2.71 2.79 3kfbG1 ASP 50 HB3 0.01 0.16 0.02 -0.04 2.70 2.85 3kfbG1 ASP 51 H 0.01 0.17 0.17 -0.55 8.40 8.20 3kfbG1 ASP 51 HA 0.00 0.18 0.46 -0.75 4.63 4.53 3kfbG1 ASP 51 HB2 0.00 0.05 0.06 -0.04 2.71 2.79 3kfbG1 ASP 51 HB3 0.00 0.04 0.10 -0.04 2.70 2.81 3kfbG1 LEU 52 H 0.01 -0.01 -0.09 -0.55 8.37 7.74 3kfbG1 LEU 52 HA 0.01 0.23 0.61 -0.75 4.35 4.44 3kfbG1 LEU 52 HB2 0.01 -0.07 0.07 -0.04 1.64 1.61 3kfbG1 LEU 52 HB3 0.01 0.05 0.07 -0.04 1.64 1.73 3kfbG1 LEU 52 HG 0.01 -0.04 -0.05 -0.04 1.64 1.51 3kfbG1 LEU 52 HD13 0.01 0.01 0.01 -0.04 0.93 0.91 3kfbG1 LEU 52 HD23 0.01 0.03 0.02 -0.04 0.89 0.90 3kfbG1 GLY 53 H 0.01 0.13 -0.38 -0.55 8.43 7.64 3kfbG1 GLY 53 HA2 0.01 0.09 0.20 -0.51 4.01 3.79 3kfbG1 GLY 53 HA3 0.01 0.18 0.56 -0.51 4.01 4.26 3kfbG1 ASP 54 H 0.02 -0.07 -0.28 -0.55 8.40 7.52 3kfbG1 ASP 54 HA 0.04 0.09 0.54 -0.75 4.63 4.55 3kfbG1 ASP 54 HB2 0.02 -0.11 0.09 -0.04 2.71 2.67 3kfbG1 ASP 54 HB3 0.04 0.09 -0.06 -0.04 2.70 2.73 3kfbG1 VAL 55 H 0.06 0.13 0.23 -0.55 8.24 8.11 3kfbG1 VAL 55 HA -0.01 0.38 0.95 -0.75 4.13 4.69 3kfbG1 VAL 55 HB -0.04 0.04 -0.04 -0.04 2.12 2.04 3kfbG1 VAL 55 HG13 -0.15 -0.02 0.09 -0.04 0.97 0.86 3kfbG1 VAL 55 HG23 -0.14 -0.02 -0.19 -0.04 0.95 0.56 3kfbG1 VAL 56 H -0.01 0.71 0.31 -0.55 8.24 8.70 3kfbG1 VAL 56 HA 0.06 0.07 0.50 -0.75 4.13 4.00 3kfbG1 VAL 56 HB 0.07 0.02 -0.05 -0.04 2.12 2.12 3kfbG1 VAL 56 HG13 0.02 0.01 -0.00 -0.04 0.97 0.96 3kfbG1 VAL 56 HG23 0.09 -0.00 -0.06 -0.04 0.95 0.94 3kfbG1 VAL 57 H -0.01 0.14 0.10 -0.55 8.24 7.92 3kfbG1 VAL 57 HA -0.02 0.33 1.08 -0.75 4.13 4.77 3kfbG1 VAL 57 HB -0.03 -0.06 0.13 -0.04 2.12 2.13 3kfbG1 VAL 57 HG13 -0.01 0.03 -0.24 -0.04 0.97 0.70 3kfbG1 VAL 57 HG23 -0.10 -0.02 -0.07 -0.04 0.95 0.73 3kfbG1 THR 58 H -0.00 0.54 0.35 -0.55 8.28 8.63 3kfbG1 THR 58 HA 0.01 0.14 0.88 -0.75 4.39 4.67 3kfbG1 THR 58 HB 0.02 0.09 -0.24 -0.04 4.32 4.15 3kfbG1 THR 58 HG23 0.01 0.04 -0.19 -0.04 1.22 1.03 3kfbG1 ASN 59 H 0.01 0.13 0.21 -0.55 8.53 8.33 3kfbG1 ASN 59 HA 0.00 0.23 0.80 -0.75 4.76 5.03 3kfbG1 ASN 59 HB2 0.01 0.01 0.02 -0.04 2.88 2.87 3kfbG1 ASN 59 HB3 0.01 -0.05 0.10 -0.04 2.79 2.80 3kfbG1 ASN 59 HD21 -0.00 0.24 -0.13 -0.04 7.03 7.09 3kfbG1 ASN 59 HD22 0.00 -0.14 -0.39 -0.04 7.74 7.18 3kfbG1 ASP 60 H 0.01 -0.01 0.02 -0.55 8.40 7.88 3kfbG1 ASP 60 HA 0.00 0.04 0.45 -0.75 4.63 4.37 3kfbG1 ASP 60 HB2 0.01 0.07 0.13 -0.04 2.71 2.88 3kfbG1 ASP 60 HB3 0.01 -0.06 0.07 -0.04 2.70 2.67 3kfbG1 GLY 61 H -0.00 0.06 0.21 -0.55 8.43 8.16 3kfbG1 GLY 61 HA2 -0.00 0.22 0.27 -0.51 4.01 3.99 3kfbG1 GLY 61 HA3 -0.00 -0.04 0.28 -0.51 4.01 3.73 3kfbG1 VAL 62 H -0.00 0.03 -0.03 -0.55 8.24 7.68 3kfbG1 VAL 62 HA 0.00 0.08 0.27 -0.75 4.13 3.73 3kfbG1 VAL 62 HB 0.00 -0.00 0.02 -0.04 2.12 2.10 3kfbG1 VAL 62 HG13 0.00 0.01 -0.05 -0.04 0.97 0.89 3kfbG1 VAL 62 HG23 0.00 0.03 -0.21 -0.04 0.95 0.73 3kfbG1 THR 63 H 0.00 0.05 -0.39 -0.55 8.28 7.39 3kfbG1 THR 63 HA 0.01 0.06 0.31 -0.75 4.39 4.01 3kfbG1 THR 63 HB 0.01 0.06 -0.02 -0.04 4.32 4.32 3kfbG1 THR 63 HG23 0.01 -0.00 -0.02 -0.04 1.22 1.17 3kfbG1 ILE 64 H 0.00 0.35 -0.41 -0.55 8.25 7.65 3kfbG1 ILE 64 HA 0.00 0.09 0.51 -0.75 4.18 4.03 3kfbG1 ILE 64 HB -0.00 0.14 0.13 -0.04 1.89 2.11 3kfbG1 ILE 64 HG12 -0.00 -0.04 -0.06 -0.04 1.49 1.35 3kfbG1 ILE 64 HG13 0.00 0.11 -0.09 -0.04 1.21 1.19 3kfbG1 ILE 64 HG23 -0.00 -0.00 -0.24 -0.04 0.93 0.65 3kfbG1 ILE 64 HD13 -0.00 0.00 -0.12 -0.04 0.88 0.72 3kfbG1 LEU 65 H 0.00 0.38 -0.02 -0.55 8.37 8.18 3kfbG1 LEU 65 HA 0.00 0.06 0.35 -0.75 4.35 4.01 3kfbG1 LEU 65 HB2 0.00 -0.01 0.08 -0.04 1.64 1.67 3kfbG1 LEU 65 HB3 0.00 -0.03 0.00 -0.04 1.64 1.57 3kfbG1 LEU 65 HG -0.00 0.06 -0.02 -0.04 1.64 1.63 3kfbG1 LEU 65 HD13 -0.00 -0.04 -0.09 -0.04 0.93 0.76 3kfbG1 LEU 65 HD23 -0.01 0.02 -0.05 -0.04 0.89 0.82 3kfbG1 ARG 66 H 0.00 0.60 -0.15 -0.55 8.46 8.35 3kfbG1 ARG 66 HA 0.01 0.03 0.42 -0.75 4.34 4.04 3kfbG1 ARG 66 HB2 0.00 0.03 0.06 -0.04 1.90 1.96 3kfbG1 ARG 66 HB3 0.01 -0.01 -0.08 -0.04 1.80 1.67 3kfbG1 ARG 66 HG2 0.01 -0.00 -0.01 -0.04 1.67 1.63 3kfbG1 ARG 66 HG3 0.00 -0.03 -0.04 -0.04 1.67 1.56 3kfbG1 ARG 66 HD2 0.00 0.01 -0.05 -0.04 3.22 3.15 3kfbG1 ARG 66 HD3 0.00 -0.02 -0.04 -0.04 3.22 3.12 3kfbG1 GLU 67 H 0.01 0.34 -0.35 -0.55 8.60 8.05 3kfbG1 GLU 67 HA 0.01 0.12 0.64 -0.75 4.29 4.30 3kfbG1 GLU 67 HB2 0.01 0.19 0.16 -0.04 2.09 2.41 3kfbG1 GLU 67 HB3 0.01 -0.08 0.14 -0.04 1.99 2.02 3kfbG1 GLU 67 HG2 0.01 -0.00 -0.10 -0.04 2.34 2.21 3kfbG1 GLU 67 HG3 0.01 -0.08 -0.14 -0.04 2.34 2.08 3kfbG1 MET 68 H 0.01 0.41 -0.57 -0.55 8.47 7.77 3kfbG1 MET 68 HA 0.01 0.05 0.38 -0.75 4.52 4.20 3kfbG1 MET 68 HB2 0.00 -0.08 0.06 -0.04 2.15 2.09 3kfbG1 MET 68 HB3 0.00 0.14 -0.05 -0.04 2.03 2.08 3kfbG1 MET 68 HG2 0.00 0.14 -0.01 -0.04 2.63 2.72 3kfbG1 MET 68 HG3 0.01 -0.09 -0.39 -0.04 2.56 2.04 3kfbG1 MET 68 HE3 -0.00 -0.02 -0.08 -0.04 2.10 1.96 3kfbG1 SER 69 H 0.01 0.14 0.04 -0.55 8.46 8.10 3kfbG1 SER 69 HA 0.01 0.10 0.32 -0.75 4.49 4.17 3kfbG1 SER 69 HB2 0.01 -0.01 0.20 -0.04 3.95 4.11 3kfbG1 SER 69 HB3 0.01 0.01 0.02 -0.04 3.93 3.92 3kfbG1 VAL 70 H 0.01 0.37 0.34 -0.55 8.24 8.41 3kfbG1 VAL 70 HA 0.02 0.08 0.82 -0.75 4.13 4.30 3kfbG1 VAL 70 HB 0.02 0.06 0.11 -0.04 2.12 2.27 3kfbG1 VAL 70 HG13 0.03 -0.03 -0.16 -0.04 0.97 0.77 3kfbG1 VAL 70 HG23 0.01 0.07 -0.12 -0.04 0.95 0.86 3kfbG1 GLU 71 H 0.05 0.06 0.16 -0.55 8.60 8.32 3kfbG1 GLU 71 HA 0.03 0.29 0.99 -0.75 4.29 4.85 3kfbG1 GLU 71 HB2 0.03 -0.01 0.04 -0.04 2.09 2.11 3kfbG1 GLU 71 HB3 0.01 0.01 0.03 -0.04 1.99 2.00 3kfbG1 GLU 71 HG2 0.02 -0.01 -0.41 -0.04 2.34 1.90 3kfbG1 GLU 71 HG3 0.01 0.01 -0.08 -0.04 2.34 2.24 3kfbG1 HIS 72 H 0.13 0.00 0.10 -0.55 8.41 8.10 3kfbG1 HIS 72 HA 0.02 0.20 0.46 -0.75 4.63 4.55 3kfbG1 HIS 72 HB2 0.00 0.07 0.15 -0.04 3.26 3.44 3kfbG1 HIS 72 HB3 0.00 -0.08 0.18 -0.04 3.20 3.26 3kfbG1 HIS 72 HD2 -0.02 0.05 0.02 -0.04 6.97 6.98 3kfbG1 HIS 72 HE1 -0.00 0.01 -0.11 -0.04 7.75 7.61 3kfbG1 PRO 73 HA 0.06 0.10 0.27 -0.51 4.44 4.36 3kfbG1 PRO 73 HB2 0.06 0.04 -0.04 -0.04 2.28 2.30 3kfbG1 PRO 73 HB3 0.02 0.09 0.12 -0.04 2.02 2.20 3kfbG1 PRO 73 HG2 -0.06 -0.03 0.07 -0.04 2.03 1.96 3kfbG1 PRO 73 HG3 -0.06 0.08 0.09 -0.04 2.03 2.10 3kfbG1 PRO 73 HD2 -0.49 0.03 0.24 -0.04 3.68 3.42 3kfbG1 PRO 73 HD3 -0.09 0.32 0.31 -0.04 3.65 4.15 3kfbG1 ALA 74 H 0.53 0.09 -0.26 -0.55 8.40 8.22 3kfbG1 ALA 74 HA 0.08 0.12 0.43 -0.75 4.34 4.21 3kfbG1 ALA 74 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 3kfbG1 ALA 75 H 0.06 0.14 -0.16 -0.55 8.40 7.89 3kfbG1 ALA 75 HA -0.02 0.08 0.52 -0.75 4.34 4.17 3kfbG1 ALA 75 HB3 -0.01 0.05 0.06 -0.04 1.41 1.46 3kfbG1 LYS 76 H 0.07 0.50 -0.19 -0.55 8.42 8.25 3kfbG1 LYS 76 HA 0.02 0.06 0.35 -0.75 4.32 4.00 3kfbG1 LYS 76 HB2 0.04 0.13 -0.00 -0.04 1.87 1.99 3kfbG1 LYS 76 HB3 0.03 -0.01 -0.05 -0.04 1.79 1.71 3kfbG1 LYS 76 HG2 0.03 0.05 -0.05 -0.04 1.46 1.44 3kfbG1 LYS 76 HG3 0.04 -0.07 -0.34 -0.04 1.46 1.06 3kfbG1 LYS 76 HD2 0.03 0.09 -0.19 -0.04 1.69 1.58 3kfbG1 LYS 76 HD3 0.03 -0.05 -0.13 -0.04 1.68 1.49 3kfbG1 LYS 76 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 3kfbG1 LYS 76 HE3 0.02 -0.04 -0.03 -0.04 2.99 2.90 3kfbG1 MET 77 H 0.03 0.27 -0.69 -0.55 8.47 7.53 3kfbG1 MET 77 HA 0.02 0.08 0.42 -0.75 4.52 4.28 3kfbG1 MET 77 HB2 0.03 0.12 0.10 -0.04 2.15 2.36 3kfbG1 MET 77 HB3 0.02 -0.03 0.04 -0.04 2.03 2.03 3kfbG1 MET 77 HG2 0.02 -0.03 -0.00 -0.04 2.63 2.58 3kfbG1 MET 77 HG3 0.03 0.07 -0.02 -0.04 2.56 2.59 3kfbG1 MET 77 HE3 0.04 0.03 -0.05 -0.04 2.10 2.09 3kfbG1 LEU 78 H 0.01 0.37 -0.21 -0.55 8.37 7.99 3kfbG1 LEU 78 HA 0.01 0.12 0.71 -0.75 4.35 4.43 3kfbG1 LEU 78 HB2 -0.00 0.11 0.11 -0.04 1.64 1.82 3kfbG1 LEU 78 HB3 -0.01 0.04 0.03 -0.04 1.64 1.66 3kfbG1 LEU 78 HG -0.01 -0.07 0.07 -0.04 1.64 1.60 3kfbG1 LEU 78 HD13 0.00 0.01 -0.06 -0.04 0.93 0.84 3kfbG1 LEU 78 HD23 -0.02 -0.03 -0.04 -0.04 0.89 0.76 3kfbG1 ILE 79 H 0.01 0.43 -0.21 -0.55 8.25 7.93 3kfbG1 ILE 79 HA 0.00 0.03 0.56 -0.75 4.18 4.02 3kfbG1 ILE 79 HB 0.01 0.27 0.10 -0.04 1.89 2.23 3kfbG1 ILE 79 HG12 0.00 -0.08 -0.02 -0.04 1.49 1.36 3kfbG1 ILE 79 HG13 0.01 0.12 -0.01 -0.04 1.21 1.29 3kfbG1 ILE 79 HG23 0.01 -0.02 -0.18 -0.04 0.93 0.70 3kfbG1 ILE 79 HD13 0.01 0.02 -0.04 -0.04 0.88 0.82 3kfbG1 GLU 80 H 0.01 0.30 -0.36 -0.55 8.60 8.01 3kfbG1 GLU 80 HA 0.01 0.03 0.38 -0.75 4.29 3.95 3kfbG1 GLU 80 HB2 0.01 0.22 -0.01 -0.04 2.09 2.27 3kfbG1 GLU 80 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 3kfbG1 GLU 80 HG2 0.01 0.15 0.11 -0.04 2.34 2.57 3kfbG1 GLU 80 HG3 0.02 0.02 0.06 -0.04 2.34 2.40 3kfbG1 VAL 81 H 0.01 0.26 -0.75 -0.55 8.24 7.21 3kfbG1 VAL 81 HA 0.01 0.09 0.30 -0.75 4.13 3.77 3kfbG1 VAL 81 HB 0.00 0.21 0.02 -0.04 2.12 2.31 3kfbG1 VAL 81 HG13 -0.00 -0.02 -0.29 -0.04 0.97 0.62 3kfbG1 VAL 81 HG23 0.01 0.02 0.00 -0.04 0.95 0.94 3kfbG1 ALA 82 H 0.00 0.32 -0.21 -0.55 8.40 7.97 3kfbG1 ALA 82 HA -0.00 0.05 0.61 -0.75 4.34 4.24 3kfbG1 ALA 82 HB3 -0.00 0.01 0.07 -0.04 1.41 1.45 3kfbG1 LYS 83 H 0.00 0.64 -0.06 -0.55 8.42 8.46 3kfbG1 LYS 83 HA 0.00 0.00 0.43 -0.75 4.32 4.00 3kfbG1 LYS 83 HB2 0.01 0.10 0.04 -0.04 1.87 1.97 3kfbG1 LYS 83 HB3 0.01 0.06 0.07 -0.04 1.79 1.89 3kfbG1 LYS 83 HG2 0.00 -0.01 -0.03 -0.04 1.46 1.38 3kfbG1 LYS 83 HG3 0.00 -0.03 0.02 -0.04 1.46 1.41 3kfbG1 LYS 83 HD2 0.01 0.01 -0.05 -0.04 1.69 1.62 3kfbG1 LYS 83 HD3 0.01 -0.00 -0.03 -0.04 1.68 1.61 3kfbG1 LYS 83 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.90 3kfbG1 LYS 83 HE3 0.01 0.01 -0.12 -0.04 2.99 2.85 3kfbG1 THR 84 H 0.00 0.54 -0.33 -0.55 8.28 7.94 3kfbG1 THR 84 HA 0.00 0.15 0.83 -0.75 4.39 4.62 3kfbG1 THR 84 HB 0.01 -0.03 0.12 -0.04 4.32 4.38 3kfbG1 THR 84 HG23 0.01 0.05 -0.02 -0.04 1.22 1.22 3kfbG1 GLN 85 H 0.00 0.24 -0.58 -0.55 8.47 7.59 3kfbG1 GLN 85 HA 0.00 0.18 0.77 -0.75 4.36 4.56 3kfbG1 GLN 85 HB2 0.00 0.20 0.07 -0.04 2.15 2.38 3kfbG1 GLN 85 HB3 -0.00 -0.02 0.11 -0.04 2.02 2.06 3kfbG1 GLN 85 HG2 -0.00 -0.11 -0.74 -0.04 2.40 1.52 3kfbG1 GLN 85 HG3 -0.00 -0.08 -0.36 -0.04 2.39 1.91 3kfbG1 GLN 85 HE21 -0.00 0.12 0.17 -0.04 6.97 7.22 3kfbG1 GLN 85 HE22 -0.00 0.12 0.17 -0.04 7.69 7.94 3kfbG1 GLU 86 H 0.00 0.46 -0.03 -0.55 8.60 8.49 3kfbG1 GLU 86 HA 0.00 -0.10 0.53 -0.75 4.29 3.97 3kfbG1 GLU 86 HB2 0.00 0.05 0.06 -0.04 2.09 2.17 3kfbG1 GLU 86 HB3 0.00 -0.10 0.08 -0.04 1.99 1.94 3kfbG1 GLU 86 HG2 0.00 0.15 0.12 -0.04 2.34 2.58 3kfbG1 GLU 86 HG3 0.00 0.09 -0.21 -0.04 2.34 2.18 3kfbG1 LYS 87 H 0.00 0.14 -0.40 -0.55 8.42 7.60 3kfbG1 LYS 87 HA 0.00 0.07 0.25 -0.75 4.32 3.88 3kfbG1 LYS 87 HB2 0.00 0.15 0.14 -0.04 1.87 2.12 3kfbG1 LYS 87 HB3 0.00 0.04 0.02 -0.04 1.79 1.81 3kfbG1 LYS 87 HG2 0.00 -0.02 -0.03 -0.04 1.46 1.38 3kfbG1 LYS 87 HG3 0.00 0.02 -0.04 -0.04 1.46 1.41 3kfbG1 LYS 87 HD2 0.00 0.00 0.01 -0.04 1.69 1.66 3kfbG1 LYS 87 HD3 0.00 0.00 -0.00 -0.04 1.68 1.64 3kfbG1 LYS 87 HE2 0.00 0.01 -0.00 -0.04 2.99 2.95 3kfbG1 LYS 87 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.91 3kfbG1 GLU 88 H 0.00 0.08 -0.50 -0.55 8.60 7.63 3kfbG1 GLU 88 HA 0.00 0.19 0.73 -0.75 4.29 4.46 3kfbG1 GLU 88 HB2 0.00 0.10 0.10 -0.04 2.09 2.25 3kfbG1 GLU 88 HB3 0.00 -0.04 0.03 -0.04 1.99 1.95 3kfbG1 GLU 88 HG2 0.00 -0.07 -0.14 -0.04 2.34 2.09 3kfbG1 GLU 88 HG3 0.00 -0.02 0.00 -0.04 2.34 2.29 3kfbG1 VAL 89 H 0.00 0.30 -0.13 -0.55 8.24 7.86 3kfbG1 VAL 89 HA 0.00 0.25 1.06 -0.75 4.13 4.69 3kfbG1 VAL 89 HB 0.00 0.10 0.13 -0.04 2.12 2.30 3kfbG1 VAL 89 HG13 0.00 -0.09 -0.12 -0.04 0.97 0.71 3kfbG1 VAL 89 HG23 0.00 -0.01 -0.21 -0.04 0.95 0.70 3kfbG1 GLY 90 H 0.00 0.28 0.20 -0.55 8.43 8.36 3kfbG1 GLY 90 HA2 -0.00 0.06 0.44 -0.51 4.01 4.01 3kfbG1 GLY 90 HA3 -0.00 0.21 0.94 -0.51 4.01 4.65 3kfbG1 ASP 91 H 0.00 0.27 -0.23 -0.55 8.40 7.89 3kfbG1 ASP 91 HA 0.00 0.05 0.79 -0.75 4.63 4.72 3kfbG1 ASP 91 HB2 0.00 0.14 -0.06 -0.04 2.71 2.75 3kfbG1 ASP 91 HB3 0.00 0.02 -0.03 -0.04 2.70 2.65 3kfbG1 GLY 92 H -0.00 0.13 0.18 -0.55 8.43 8.19 3kfbG1 GLY 92 HA2 -0.00 -0.01 0.34 -0.51 4.01 3.82 3kfbG1 GLY 92 HA3 -0.00 0.31 0.76 -0.51 4.01 4.57 3kfbG1 THR 93 H -0.00 0.09 0.03 -0.55 8.28 7.85 3kfbG1 THR 93 HA -0.00 0.23 0.45 -0.75 4.39 4.31 3kfbG1 THR 93 HB -0.00 0.04 0.10 -0.04 4.32 4.41 3kfbG1 THR 93 HG23 -0.00 0.05 -0.08 -0.04 1.22 1.14 3kfbG1 THR 94 H -0.01 0.06 0.02 -0.55 8.28 7.81 3kfbG1 THR 94 HA -0.01 0.15 0.49 -0.75 4.39 4.26 3kfbG1 THR 94 HB -0.01 -0.01 0.06 -0.04 4.32 4.32 3kfbG1 THR 94 HG23 -0.01 0.04 -0.08 -0.04 1.22 1.12 3kfbG1 THR 95 H -0.01 0.01 -0.22 -0.55 8.28 7.51 3kfbG1 THR 95 HA -0.02 0.10 0.36 -0.75 4.39 4.08 3kfbG1 THR 95 HB -0.02 0.05 -0.02 -0.04 4.32 4.29 3kfbG1 THR 95 HG23 -0.02 -0.01 0.00 -0.04 1.22 1.16 3kfbG1 ALA 96 H -0.01 0.29 -0.38 -0.55 8.40 7.75 3kfbG1 ALA 96 HA -0.02 0.11 0.45 -0.75 4.34 4.12 3kfbG1 ALA 96 HB3 -0.01 0.04 0.07 -0.04 1.41 1.46 3kfbG1 VAL 97 H -0.02 0.27 -0.22 -0.55 8.24 7.73 3kfbG1 VAL 97 HA -0.02 0.11 0.53 -0.75 4.13 3.99 3kfbG1 VAL 97 HB -0.02 0.07 0.15 -0.04 2.12 2.29 3kfbG1 VAL 97 HG13 -0.02 0.01 -0.12 -0.04 0.97 0.80 3kfbG1 VAL 97 HG23 -0.01 0.04 0.02 -0.04 0.95 0.96 3kfbG1 VAL 98 H -0.03 0.48 -0.06 -0.55 8.24 8.09 3kfbG1 VAL 98 HA -0.03 0.06 0.43 -0.75 4.13 3.84 3kfbG1 VAL 98 HB -0.03 0.00 0.06 -0.04 2.12 2.11 3kfbG1 VAL 98 HG13 -0.04 0.00 -0.14 -0.04 0.97 0.75 3kfbG1 VAL 98 HG23 -0.03 0.06 0.00 -0.04 0.95 0.94 3kfbG1 VAL 99 H -0.05 0.39 -0.36 -0.55 8.24 7.67 3kfbG1 VAL 99 HA -0.10 0.08 0.48 -0.75 4.13 3.84 3kfbG1 VAL 99 HB -0.07 0.11 0.12 -0.04 2.12 2.24 3kfbG1 VAL 99 HG13 -0.18 -0.01 -0.19 -0.04 0.97 0.56 3kfbG1 VAL 99 HG23 -0.07 0.01 -0.00 -0.04 0.95 0.84 3kfbG1 ALA 100 H -0.05 0.45 -0.11 -0.55 8.40 8.14 3kfbG1 ALA 100 HA -0.05 0.05 0.46 -0.75 4.34 4.04 3kfbG1 ALA 100 HB3 -0.02 0.02 0.18 -0.04 1.41 1.55 3kfbG1 GLY 101 H -0.04 0.56 -0.23 -0.55 8.43 8.18 3kfbG1 GLY 101 HA2 -0.02 0.00 0.43 -0.51 4.01 3.91 3kfbG1 GLY 101 HA3 -0.03 0.07 0.29 -0.51 4.01 3.83 3kfbG1 GLU 102 H -0.06 0.53 -0.12 -0.55 8.60 8.41 3kfbG1 GLU 102 HA -0.03 -0.03 0.47 -0.75 4.29 3.94 3kfbG1 GLU 102 HB2 -0.06 0.02 0.17 -0.04 2.09 2.18 3kfbG1 GLU 102 HB3 -0.09 0.13 0.14 -0.04 1.99 2.13 3kfbG1 GLU 102 HG2 -0.07 0.16 0.15 -0.04 2.34 2.54 3kfbG1 GLU 102 HG3 -0.05 -0.08 0.12 -0.04 2.34 2.29 3kfbG1 LEU 103 H -0.08 0.49 -0.28 -0.55 8.37 7.96 3kfbG1 LEU 103 HA -0.08 0.08 0.63 -0.75 4.35 4.23 3kfbG1 LEU 103 HB2 -0.05 0.12 0.08 -0.04 1.64 1.75 3kfbG1 LEU 103 HB3 0.06 -0.05 -0.07 -0.04 1.64 1.54 3kfbG1 LEU 103 HG -0.36 0.12 -0.08 -0.04 1.64 1.27 3kfbG1 LEU 103 HD13 -0.26 -0.01 -0.18 -0.04 0.93 0.43 3kfbG1 LEU 103 HD23 -1.06 -0.00 -0.02 -0.04 0.89 -0.23 3kfbG1 LEU 104 H 0.01 0.41 -0.25 -0.55 8.37 8.00 3kfbG1 LEU 104 HA 0.06 0.06 0.61 -0.75 4.35 4.33 3kfbG1 LEU 104 HB2 -0.00 0.21 0.24 -0.04 1.64 2.05 3kfbG1 LEU 104 HB3 0.00 -0.07 0.08 -0.04 1.64 1.61 3kfbG1 LEU 104 HG 0.03 0.14 0.07 -0.04 1.64 1.84 3kfbG1 LEU 104 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.82 3kfbG1 LEU 104 HD23 0.03 -0.03 0.02 -0.04 0.89 0.87 3kfbG1 ARG 105 H -0.00 0.51 0.01 -0.55 8.46 8.43 3kfbG1 ARG 105 HA -0.00 0.02 0.44 -0.75 4.34 4.05 3kfbG1 ARG 105 HB2 -0.01 0.04 0.11 -0.04 1.90 1.99 3kfbG1 ARG 105 HB3 -0.01 0.09 0.14 -0.04 1.80 1.97 3kfbG1 ARG 105 HG2 -0.00 -0.01 -0.19 -0.04 1.67 1.43 3kfbG1 ARG 105 HG3 -0.01 -0.03 0.02 -0.04 1.67 1.60 3kfbG1 ARG 105 HD2 -0.01 -0.02 -0.03 -0.04 3.22 3.12 3kfbG1 ARG 105 HD3 -0.02 0.01 -0.01 -0.04 3.22 3.16 3kfbG1 LYS 106 H 0.03 0.45 -0.32 -0.55 8.42 8.03 3kfbG1 LYS 106 HA 0.03 0.02 0.29 -0.75 4.32 3.91 3kfbG1 LYS 106 HB2 0.08 0.11 0.06 -0.04 1.87 2.08 3kfbG1 LYS 106 HB3 0.09 -0.08 0.07 -0.04 1.79 1.82 3kfbG1 LYS 106 HG2 -0.00 0.01 0.04 -0.04 1.46 1.47 3kfbG1 LYS 106 HG3 -0.01 0.07 -0.03 -0.04 1.46 1.44 3kfbG1 LYS 106 HD2 0.02 -0.02 0.00 -0.04 1.69 1.65 3kfbG1 LYS 106 HD3 0.02 -0.06 -0.03 -0.04 1.68 1.56 3kfbG1 LYS 106 HE2 -0.01 -0.03 -0.07 -0.04 2.99 2.84 3kfbG1 LYS 106 HE3 -0.01 0.06 -0.21 -0.04 2.99 2.79 3kfbG1 ALA 107 H 0.06 0.20 -0.91 -0.55 8.40 7.20 3kfbG1 ALA 107 HA 0.00 0.06 0.55 -0.75 4.34 4.20 3kfbG1 ALA 107 HB3 0.00 0.08 0.11 -0.04 1.41 1.57 3kfbG1 GLU 108 H 0.01 0.49 -0.02 -0.55 8.60 8.54 3kfbG1 GLU 108 HA -0.02 0.03 0.55 -0.75 4.29 4.10 3kfbG1 GLU 108 HB2 -0.01 -0.05 0.09 -0.04 2.09 2.08 3kfbG1 GLU 108 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 3kfbG1 GLU 108 HG2 -0.00 0.18 0.17 -0.04 2.34 2.65 3kfbG1 GLU 108 HG3 -0.01 0.01 -0.15 -0.04 2.34 2.15 3kfbG1 GLU 109 H 0.01 0.32 -0.38 -0.55 8.60 8.00 3kfbG1 GLU 109 HA -0.00 0.07 0.50 -0.75 4.29 4.10 3kfbG1 GLU 109 HB2 0.02 0.17 -0.02 -0.04 2.09 2.21 3kfbG1 GLU 109 HB3 0.01 -0.02 0.02 -0.04 1.99 1.96 3kfbG1 GLU 109 HG2 0.00 -0.04 -0.01 -0.04 2.34 2.26 3kfbG1 GLU 109 HG3 0.01 0.16 0.02 -0.04 2.34 2.49 3kfbG1 LEU 110 H -0.00 0.29 -0.49 -0.55 8.37 7.63 3kfbG1 LEU 110 HA 0.00 0.14 0.72 -0.75 4.35 4.46 3kfbG1 LEU 110 HB2 -0.03 0.21 0.10 -0.04 1.64 1.88 3kfbG1 LEU 110 HB3 -0.01 -0.09 -0.01 -0.04 1.64 1.48 3kfbG1 LEU 110 HG 0.03 0.18 0.03 -0.04 1.64 1.84 3kfbG1 LEU 110 HD13 0.01 -0.00 -0.07 -0.04 0.93 0.83 3kfbG1 LEU 110 HD23 0.03 0.01 -0.08 -0.04 0.89 0.80 3kfbG1 LEU 111 H -0.02 0.30 -0.03 -0.55 8.37 8.07 3kfbG1 LEU 111 HA -0.03 0.21 0.49 -0.75 4.35 4.26 3kfbG1 LEU 111 HB2 -0.03 0.00 0.15 -0.04 1.64 1.73 3kfbG1 LEU 111 HB3 -0.04 -0.05 0.05 -0.04 1.64 1.57 3kfbG1 LEU 111 HG -0.05 0.17 0.04 -0.04 1.64 1.76 3kfbG1 LEU 111 HD13 -0.04 -0.02 -0.05 -0.04 0.93 0.78 3kfbG1 LEU 111 HD23 -0.06 0.05 0.00 -0.04 0.89 0.85 3kfbG1 ASP 112 H -0.01 0.44 -0.27 -0.55 8.40 8.02 3kfbG1 ASP 112 HA -0.01 0.09 0.64 -0.75 4.63 4.59 3kfbG1 ASP 112 HB2 -0.01 0.13 0.10 -0.04 2.71 2.89 3kfbG1 ASP 112 HB3 -0.01 -0.03 0.07 -0.04 2.70 2.69 3kfbG1 GLN 113 H -0.01 0.16 -0.67 -0.55 8.47 7.40 3kfbG1 GLN 113 HA -0.00 0.16 0.79 -0.75 4.36 4.56 3kfbG1 GLN 113 HB2 0.00 0.06 0.12 -0.04 2.15 2.29 3kfbG1 GLN 113 HB3 0.00 -0.06 0.19 -0.04 2.02 2.11 3kfbG1 GLN 113 HG2 0.00 -0.03 0.02 -0.04 2.40 2.35 3kfbG1 GLN 113 HG3 0.00 0.12 -0.03 -0.04 2.39 2.44 3kfbG1 GLN 113 HE21 0.01 -0.06 -0.00 -0.04 6.97 6.87 3kfbG1 GLN 113 HE22 0.00 -0.00 0.01 -0.04 7.69 7.66 3kfbG1 ASN 114 H -0.01 0.25 -0.65 -0.55 8.53 7.56 3kfbG1 ASN 114 HA -0.01 0.09 0.21 -0.75 4.76 4.29 3kfbG1 ASN 114 HB2 0.00 0.23 -0.08 -0.04 2.88 2.99 3kfbG1 ASN 114 HB3 0.00 -0.09 0.15 -0.04 2.79 2.82 3kfbG1 ASN 114 HD21 -0.00 -0.01 -0.11 -0.04 7.03 6.87 3kfbG1 ASN 114 HD22 0.00 0.06 -0.27 -0.04 7.74 7.49 3kfbG1 VAL 115 H -0.00 0.47 -0.24 -0.55 8.24 7.91 3kfbG1 VAL 115 HA 0.03 -0.02 0.59 -0.75 4.13 3.97 3kfbG1 VAL 115 HB -0.01 0.03 -0.07 -0.04 2.12 2.03 3kfbG1 VAL 115 HG13 0.01 -0.01 -0.17 -0.04 0.97 0.76 3kfbG1 VAL 115 HG23 0.01 0.01 -0.02 -0.04 0.95 0.91 3kfbG1 HIS 116 H 0.12 0.11 0.20 -0.55 8.41 8.29 3kfbG1 HIS 116 HA -0.02 0.17 0.40 -0.75 4.63 4.42 3kfbG1 HIS 116 HB2 -0.01 0.11 0.20 -0.04 3.26 3.52 3kfbG1 HIS 116 HB3 -0.01 -0.21 0.11 -0.04 3.20 3.04 3kfbG1 HIS 116 HD2 -0.01 0.05 0.06 -0.04 6.97 7.03 3kfbG1 HIS 116 HE1 -0.01 0.06 0.03 -0.04 7.75 7.79 3kfbG1 PRO 117 HA -0.03 0.09 0.45 -0.51 4.44 4.43 3kfbG1 PRO 117 HB2 -0.00 -0.01 0.02 -0.04 2.28 2.24 3kfbG1 PRO 117 HB3 -0.03 0.31 0.11 -0.04 2.02 2.37 3kfbG1 PRO 117 HG2 -0.15 0.05 0.09 -0.04 2.03 1.98 3kfbG1 PRO 117 HG3 -0.09 0.08 0.11 -0.04 2.03 2.09 3kfbG1 PRO 117 HD2 -0.71 0.05 0.23 -0.04 3.68 3.21 3kfbG1 PRO 117 HD3 -0.22 0.23 0.20 -0.04 3.65 3.82 3kfbG1 THR 118 H 0.53 0.11 -0.26 -0.55 8.28 8.11 3kfbG1 THR 118 HA 0.05 0.16 0.49 -0.75 4.39 4.34 3kfbG1 THR 118 HB -0.01 0.04 0.02 -0.04 4.32 4.33 3kfbG1 THR 118 HG23 0.13 0.03 0.01 -0.04 1.22 1.34 3kfbG1 ILE 119 H 0.08 0.26 -0.27 -0.55 8.25 7.77 3kfbG1 ILE 119 HA -0.00 0.07 0.51 -0.75 4.18 4.01 3kfbG1 ILE 119 HB 0.03 0.23 -0.00 -0.04 1.89 2.10 3kfbG1 ILE 119 HG12 0.00 -0.04 0.03 -0.04 1.49 1.44 3kfbG1 ILE 119 HG13 0.01 0.00 0.03 -0.04 1.21 1.20 3kfbG1 ILE 119 HG23 0.00 -0.02 -0.22 -0.04 0.93 0.65 3kfbG1 ILE 119 HD13 -0.04 -0.00 -0.05 -0.04 0.88 0.76 3kfbG1 VAL 120 H -0.01 0.34 -0.24 -0.55 8.24 7.77 3kfbG1 VAL 120 HA -0.10 0.03 0.40 -0.75 4.13 3.70 3kfbG1 VAL 120 HB -0.13 0.12 0.14 -0.04 2.12 2.21 3kfbG1 VAL 120 HG13 -0.49 0.00 -0.12 -0.04 0.97 0.32 3kfbG1 VAL 120 HG23 -0.07 0.05 -0.11 -0.04 0.95 0.77 3kfbG1 VAL 121 H -0.06 0.55 -0.10 -0.55 8.24 8.09 3kfbG1 VAL 121 HA -0.02 0.04 0.37 -0.75 4.13 3.77 3kfbG1 VAL 121 HB -0.01 0.11 0.12 -0.04 2.12 2.29 3kfbG1 VAL 121 HG13 0.02 -0.02 -0.03 -0.04 0.97 0.90 3kfbG1 VAL 121 HG23 0.05 -0.01 0.07 -0.04 0.95 1.02 3kfbG1 LYS 122 H 0.01 0.20 -0.63 -0.55 8.42 7.45 3kfbG1 LYS 122 HA 0.03 0.07 0.49 -0.75 4.32 4.15 3kfbG1 LYS 122 HB2 0.01 0.20 0.17 -0.04 1.87 2.20 3kfbG1 LYS 122 HB3 0.01 0.02 0.16 -0.04 1.79 1.94 3kfbG1 LYS 122 HG2 0.01 -0.03 -0.15 -0.04 1.46 1.26 3kfbG1 LYS 122 HG3 0.01 0.01 0.04 -0.04 1.46 1.47 3kfbG1 LYS 122 HD2 -0.01 0.02 0.00 -0.04 1.69 1.66 3kfbG1 LYS 122 HD3 -0.00 -0.07 0.01 -0.04 1.68 1.57 3kfbG1 LYS 122 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.96 3kfbG1 LYS 122 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 3kfbG1 GLY 123 H 0.04 0.52 -0.02 -0.55 8.43 8.42 3kfbG1 GLY 123 HA2 0.06 0.02 0.48 -0.51 4.01 4.06 3kfbG1 GLY 123 HA3 0.09 0.11 0.34 -0.51 4.01 4.04 3kfbG1 TYR 124 H 0.21 0.51 -0.26 -0.55 8.29 8.20 3kfbG1 TYR 124 HA 0.06 0.07 0.37 -0.75 4.56 4.30 3kfbG1 TYR 124 HB2 0.08 0.06 0.10 -0.04 3.06 3.26 3kfbG1 TYR 124 HB3 0.15 -0.00 -0.07 -0.04 2.98 3.02 3kfbG1 TYR 124 HD2 0.15 -0.05 -0.15 -0.04 7.15 7.06 3kfbG1 TYR 124 HE2 0.08 0.03 -0.06 -0.04 6.85 6.87 3kfbG1 GLN 125 H 0.10 0.37 -0.37 -0.55 8.47 8.02 3kfbG1 GLN 125 HA -0.01 0.07 0.55 -0.75 4.36 4.22 3kfbG1 GLN 125 HB2 0.05 0.11 0.11 -0.04 2.15 2.38 3kfbG1 GLN 125 HB3 0.03 0.10 0.12 -0.04 2.02 2.23 3kfbG1 GLN 125 HG2 -0.00 -0.08 -0.03 -0.04 2.40 2.25 3kfbG1 GLN 125 HG3 0.02 -0.01 0.01 -0.04 2.39 2.38 3kfbG1 GLN 125 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 3kfbG1 GLN 125 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 3kfbG1 ALA 126 H 0.01 0.46 -0.10 -0.55 8.40 8.23 3kfbG1 ALA 126 HA 0.00 0.03 0.45 -0.75 4.34 4.08 3kfbG1 ALA 126 HB3 0.06 0.03 0.09 -0.04 1.41 1.54 3kfbG1 ALA 127 H -0.15 0.38 -0.46 -0.55 8.40 7.62 3kfbG1 ALA 127 HA -0.12 0.08 0.55 -0.75 4.34 4.10 3kfbG1 ALA 127 HB3 -0.45 0.02 0.08 -0.04 1.41 1.02 3kfbG1 ALA 128 H -0.42 0.38 -0.19 -0.55 8.40 7.62 3kfbG1 ALA 128 HA -0.31 0.04 0.42 -0.75 4.34 3.74 3kfbG1 ALA 128 HB3 -0.10 0.02 0.07 -0.04 1.41 1.37 3kfbG1 GLN 129 H -0.14 0.45 -0.27 -0.55 8.47 7.96 3kfbG1 GLN 129 HA -0.06 0.05 0.57 -0.75 4.36 4.17 3kfbG1 GLN 129 HB2 -0.06 0.23 0.17 -0.04 2.15 2.45 3kfbG1 GLN 129 HB3 -0.08 0.05 0.01 -0.04 2.02 1.96 3kfbG1 GLN 129 HG2 -0.04 -0.02 -0.04 -0.04 2.40 2.27 3kfbG1 GLN 129 HG3 -0.03 -0.03 0.05 -0.04 2.39 2.33 3kfbG1 GLN 129 HE21 0.00 -0.03 -0.03 -0.04 6.97 6.86 3kfbG1 GLN 129 HE22 -0.01 0.03 0.01 -0.04 7.69 7.68 3kfbG1 LYS 130 H -0.19 0.42 -0.17 -0.55 8.42 7.92 3kfbG1 LYS 130 HA -0.23 0.02 0.41 -0.75 4.32 3.76 3kfbG1 LYS 130 HB2 -0.67 0.09 0.14 -0.04 1.87 1.38 3kfbG1 LYS 130 HB3 -0.45 0.12 0.10 -0.04 1.79 1.52 3kfbG1 LYS 130 HG2 -1.37 0.02 -0.01 -0.04 1.46 0.06 3kfbG1 LYS 130 HG3 -0.40 -0.04 -0.08 -0.04 1.46 0.89 3kfbG1 LYS 130 HD2 -0.31 -0.06 0.05 -0.04 1.69 1.33 3kfbG1 LYS 130 HD3 -0.70 0.03 0.02 -0.04 1.68 0.99 3kfbG1 LYS 130 HE2 -0.24 0.04 -0.01 -0.04 2.99 2.73 3kfbG1 LYS 130 HE3 -0.18 -0.03 -0.03 -0.04 2.99 2.71 3kfbG1 ALA 131 H -0.17 0.32 -0.46 -0.55 8.40 7.55 3kfbG1 ALA 131 HA -0.06 0.04 0.29 -0.75 4.34 3.86 3kfbG1 ALA 131 HB3 -0.00 0.04 0.04 -0.04 1.41 1.45 3kfbG1 GLN 132 H -0.07 0.38 -0.36 -0.55 8.47 7.88 3kfbG1 GLN 132 HA -0.02 0.02 0.58 -0.75 4.36 4.19 3kfbG1 GLN 132 HB2 -0.04 0.23 0.19 -0.04 2.15 2.49 3kfbG1 GLN 132 HB3 -0.02 -0.05 0.02 -0.04 2.02 1.93 3kfbG1 GLN 132 HG2 -0.02 0.15 0.11 -0.04 2.40 2.60 3kfbG1 GLN 132 HG3 -0.02 -0.02 0.07 -0.04 2.39 2.38 3kfbG1 GLN 132 HE21 0.01 0.08 0.21 -0.04 6.97 7.23 3kfbG1 GLN 132 HE22 0.02 -0.03 0.03 -0.04 7.69 7.67 3kfbG1 GLU 133 H -0.07 0.40 -0.13 -0.55 8.60 8.26 3kfbG1 GLU 133 HA -0.03 0.08 0.62 -0.75 4.29 4.20 3kfbG1 GLU 133 HB2 -0.04 -0.02 0.11 -0.04 2.09 2.10 3kfbG1 GLU 133 HB3 -0.04 -0.00 0.06 -0.04 1.99 1.97 3kfbG1 GLU 133 HG2 -0.11 0.08 0.15 -0.04 2.34 2.42 3kfbG1 GLU 133 HG3 -0.09 0.01 -0.09 -0.04 2.34 2.13 3kfbG1 LEU 134 H -0.07 0.39 -0.27 -0.55 8.37 7.88 3kfbG1 LEU 134 HA -0.04 0.11 0.76 -0.75 4.35 4.42 3kfbG1 LEU 134 HB2 -0.06 0.10 0.10 -0.04 1.64 1.74 3kfbG1 LEU 134 HB3 -0.03 -0.06 -0.03 -0.04 1.64 1.49 3kfbG1 LEU 134 HG -0.12 0.04 -0.01 -0.04 1.64 1.51 3kfbG1 LEU 134 HD13 -0.09 -0.01 -0.18 -0.04 0.93 0.62 3kfbG1 LEU 134 HD23 -0.03 -0.01 0.01 -0.04 0.89 0.82 3kfbG1 LEU 135 H -0.02 0.32 -0.29 -0.55 8.37 7.83 3kfbG1 LEU 135 HA -0.00 0.05 0.51 -0.75 4.35 4.16 3kfbG1 LEU 135 HB2 -0.01 0.14 0.17 -0.04 1.64 1.90 3kfbG1 LEU 135 HB3 -0.00 -0.08 -0.01 -0.04 1.64 1.51 3kfbG1 LEU 135 HG 0.00 0.14 0.04 -0.04 1.64 1.78 3kfbG1 LEU 135 HD13 0.01 -0.03 -0.12 -0.04 0.93 0.74 3kfbG1 LEU 135 HD23 0.01 -0.03 -0.02 -0.04 0.89 0.81 3kfbG1 LYS 136 H -0.02 0.22 -0.35 -0.55 8.42 7.72 3kfbG1 LYS 136 HA -0.01 0.06 0.45 -0.75 4.32 4.07 3kfbG1 LYS 136 HB2 -0.02 0.09 0.07 -0.04 1.87 1.97 3kfbG1 LYS 136 HB3 -0.01 0.01 -0.01 -0.04 1.79 1.74 3kfbG1 LYS 136 HG2 -0.01 -0.04 0.02 -0.04 1.46 1.39 3kfbG1 LYS 136 HG3 -0.01 0.18 0.08 -0.04 1.46 1.67 3kfbG1 LYS 136 HD2 -0.02 -0.00 0.03 -0.04 1.69 1.66 3kfbG1 LYS 136 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 3kfbG1 LYS 136 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.87 3kfbG1 LYS 136 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 3kfbG1 THR 137 H -0.01 0.18 -0.37 -0.55 8.28 7.52 3kfbG1 THR 137 HA -0.01 0.11 0.49 -0.75 4.39 4.23 3kfbG1 THR 137 HB -0.01 -0.03 0.05 -0.04 4.32 4.30 3kfbG1 THR 137 HG23 -0.01 0.02 0.05 -0.04 1.22 1.24 3kfbG1 ILE 138 H -0.00 0.21 -0.31 -0.55 8.25 7.61 3kfbG1 ILE 138 HA 0.00 0.16 0.61 -0.75 4.18 4.20 3kfbG1 ILE 138 HB 0.01 -0.08 0.15 -0.04 1.89 1.93 3kfbG1 ILE 138 HG12 0.00 0.16 0.13 -0.04 1.49 1.73 3kfbG1 ILE 138 HG13 0.01 0.01 -0.20 -0.04 1.21 0.99 3kfbG1 ILE 138 HG23 0.01 0.02 -0.03 -0.04 0.93 0.89 3kfbG1 ILE 138 HD13 0.02 -0.04 -0.01 -0.04 0.88 0.82 3kfbG1 ALA 139 H -0.00 0.22 -0.56 -0.55 8.40 7.52 3kfbG1 ALA 139 HA 0.00 0.06 0.83 -0.75 4.34 4.48 3kfbG1 ALA 139 HB3 0.00 0.01 0.01 -0.04 1.41 1.39 3kfbG1 CYS 140 H 0.00 0.29 0.31 -0.55 8.50 8.55 3kfbG1 CYS 140 HA -0.00 0.06 0.52 -0.75 4.58 4.41 3kfbG1 CYS 140 HB2 0.00 -0.07 0.03 -0.04 2.97 2.89 3kfbG1 CYS 140 HB3 0.00 0.02 0.00 -0.04 2.97 2.95 3kfbG1 GLU 141 H -0.00 0.10 0.20 -0.55 8.60 8.36 3kfbG1 GLU 141 HA 0.00 0.29 0.95 -0.75 4.29 4.77 3kfbG1 GLU 141 HB2 -0.00 -0.09 0.17 -0.04 2.09 2.13 3kfbG1 GLU 141 HB3 -0.00 0.03 0.05 -0.04 1.99 2.02 3kfbG1 GLU 141 HG2 -0.00 0.06 0.03 -0.04 2.34 2.39 3kfbG1 GLU 141 HG3 -0.00 -0.05 0.05 -0.04 2.34 2.30 3kfbG1 VAL 142 H 0.00 0.90 0.28 -0.55 8.24 8.87 3kfbG1 VAL 142 HA 0.00 0.09 0.96 -0.75 4.13 4.43 3kfbG1 VAL 142 HB 0.00 0.00 -0.18 -0.04 2.12 1.90 3kfbG1 VAL 142 HG13 0.00 -0.01 -0.23 -0.04 0.97 0.69 3kfbG1 VAL 142 HG23 0.00 -0.02 -0.34 -0.04 0.95 0.55 3kfbG1 GLY 143 H 0.00 0.06 0.14 -0.55 8.43 8.09 3kfbG1 GLY 143 HA2 0.00 0.15 0.42 -0.51 4.01 4.07 3kfbG1 GLY 143 HA3 0.00 -0.02 0.33 -0.51 4.01 3.80 3kfbG1 ALA 144 H 0.00 0.19 0.19 -0.55 8.40 8.24 3kfbG1 ALA 144 HA 0.00 0.13 0.23 -0.75 4.34 3.95 3kfbG1 ALA 144 HB3 0.00 0.05 0.18 -0.04 1.41 1.61 3kfbG1 GLN 145 H 0.00 -0.03 -0.61 -0.55 8.47 7.29 3kfbG1 GLN 145 HA 0.00 0.28 0.85 -0.75 4.36 4.74 3kfbG1 GLN 145 HB2 0.00 -0.03 -0.02 -0.04 2.15 2.06 3kfbG1 GLN 145 HB3 0.00 -0.05 0.12 -0.04 2.02 2.05 3kfbG1 GLN 145 HG2 0.00 -0.04 0.08 -0.04 2.40 2.41 3kfbG1 GLN 145 HG3 0.00 0.13 -0.00 -0.04 2.39 2.48 3kfbG1 GLN 145 HE21 0.01 0.01 -0.02 -0.04 6.97 6.93 3kfbG1 GLN 145 HE22 0.01 0.01 -0.09 -0.04 7.69 7.57 3kfbG1 ASP 146 H 0.00 0.56 -0.15 -0.55 8.40 8.26 3kfbG1 ASP 146 HA 0.00 0.10 0.66 -0.75 4.63 4.64 3kfbG1 ASP 146 HB2 0.00 0.03 0.16 -0.04 2.71 2.86 3kfbG1 ASP 146 HB3 0.00 -0.02 0.20 -0.04 2.70 2.84 3kfbG1 LYS 147 H 0.00 0.38 0.16 -0.55 8.42 8.41 3kfbG1 LYS 147 HA 0.00 0.08 0.00 -0.75 4.32 3.65 3kfbG1 LYS 147 HB2 0.00 -0.02 0.09 -0.04 1.87 1.90 3kfbG1 LYS 147 HB3 0.00 0.02 -0.00 -0.04 1.79 1.76 3kfbG1 LYS 147 HG2 0.00 0.01 -0.07 -0.04 1.46 1.36 3kfbG1 LYS 147 HG3 0.00 0.10 0.08 -0.04 1.46 1.61 3kfbG1 LYS 147 HD2 0.00 0.01 0.00 -0.04 1.69 1.67 3kfbG1 LYS 147 HD3 0.00 -0.04 -0.03 -0.04 1.68 1.56 3kfbG1 LYS 147 HE2 -0.00 0.00 -0.06 -0.04 2.99 2.89 3kfbG1 LYS 147 HE3 0.00 0.05 -0.01 -0.04 2.99 2.99 3kfbG1 GLU 148 H 0.00 0.10 -0.16 -0.55 8.60 8.00 3kfbG1 GLU 148 HA -0.00 0.11 0.53 -0.75 4.29 4.18 3kfbG1 GLU 148 HB2 0.00 0.06 -0.02 -0.04 2.09 2.09 3kfbG1 GLU 148 HB3 -0.00 0.04 0.08 -0.04 1.99 2.07 3kfbG1 GLU 148 HG2 0.00 0.02 0.03 -0.04 2.34 2.35 3kfbG1 GLU 148 HG3 0.00 -0.13 -0.02 -0.04 2.34 2.15 3kfbG1 ILE 149 H 0.00 0.26 -0.21 -0.55 8.25 7.75 3kfbG1 ILE 149 HA 0.00 0.12 0.60 -0.75 4.18 4.14 3kfbG1 ILE 149 HB 0.00 0.10 0.07 -0.04 1.89 2.03 3kfbG1 ILE 149 HG12 0.00 0.04 -0.05 -0.04 1.49 1.44 3kfbG1 ILE 149 HG13 0.00 -0.10 -0.04 -0.04 1.21 1.03 3kfbG1 ILE 149 HG23 0.00 0.00 -0.16 -0.04 0.93 0.74 3kfbG1 ILE 149 HD13 0.00 0.01 -0.01 -0.04 0.88 0.83 3kfbG1 LEU 150 H 0.00 0.63 -0.01 -0.55 8.37 8.44 3kfbG1 LEU 150 HA 0.00 0.04 0.44 -0.75 4.35 4.08 3kfbG1 LEU 150 HB2 0.00 0.03 -0.05 -0.04 1.64 1.58 3kfbG1 LEU 150 HB3 -0.00 -0.01 -0.05 -0.04 1.64 1.54 3kfbG1 LEU 150 HG 0.00 -0.02 -0.19 -0.04 1.64 1.39 3kfbG1 LEU 150 HD13 -0.00 0.07 -0.14 -0.04 0.93 0.82 3kfbG1 LEU 150 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 3kfbG1 THR 151 H 0.00 0.43 -0.38 -0.55 8.28 7.78 3kfbG1 THR 151 HA 0.00 0.05 0.45 -0.75 4.39 4.14 3kfbG1 THR 151 HB -0.00 0.09 0.08 -0.04 4.32 4.45 3kfbG1 THR 151 HG23 -0.00 -0.03 -0.13 -0.04 1.22 1.01 3kfbG1 LYS 152 H 0.00 0.34 -0.22 -0.55 8.42 7.99 3kfbG1 LYS 152 HA 0.00 0.05 0.64 -0.75 4.32 4.26 3kfbG1 LYS 152 HB2 0.00 0.09 0.16 -0.04 1.87 2.08 3kfbG1 LYS 152 HB3 0.01 0.06 0.05 -0.04 1.79 1.87 3kfbG1 LYS 152 HG2 0.00 0.01 0.12 -0.04 1.46 1.55 3kfbG1 LYS 152 HG3 0.00 0.13 0.14 -0.04 1.46 1.69 3kfbG1 LYS 152 HD2 0.00 -0.05 0.01 -0.04 1.69 1.62 3kfbG1 LYS 152 HD3 0.01 -0.07 0.02 -0.04 1.68 1.60 3kfbG1 LYS 152 HE2 0.00 0.02 -0.02 -0.04 2.99 2.96 3kfbG1 LYS 152 HE3 0.00 -0.00 -0.04 -0.04 2.99 2.91 3kfbG1 ILE 153 H 0.00 0.43 -0.27 -0.55 8.25 7.87 3kfbG1 ILE 153 HA 0.01 0.19 0.52 -0.75 4.18 4.14 3kfbG1 ILE 153 HB 0.00 0.09 0.12 -0.04 1.89 2.06 3kfbG1 ILE 153 HG12 0.01 -0.05 -0.29 -0.04 1.49 1.12 3kfbG1 ILE 153 HG13 0.01 -0.01 -0.13 -0.04 1.21 1.04 3kfbG1 ILE 153 HG23 0.00 0.00 -0.24 -0.04 0.93 0.65 3kfbG1 ILE 153 HD13 0.00 -0.01 -0.21 -0.04 0.88 0.62 3kfbG1 ALA 154 H 0.00 0.54 -0.10 -0.55 8.40 8.30 3kfbG1 ALA 154 HA 0.00 0.04 0.61 -0.75 4.34 4.24 3kfbG1 ALA 154 HB3 0.00 0.01 0.13 -0.04 1.41 1.52 3kfbG1 MET 155 H 0.01 0.42 -0.30 -0.55 8.47 8.06 3kfbG1 MET 155 HA 0.01 -0.01 0.49 -0.75 4.52 4.25 3kfbG1 MET 155 HB2 0.00 0.13 0.17 -0.04 2.15 2.41 3kfbG1 MET 155 HB3 0.01 0.12 0.18 -0.04 2.03 2.30 3kfbG1 MET 155 HG2 -0.00 0.02 -0.00 -0.04 2.63 2.60 3kfbG1 MET 155 HG3 0.00 -0.08 0.06 -0.04 2.56 2.50 3kfbG1 MET 155 HE3 -0.00 -0.01 -0.24 -0.04 2.10 1.81 3kfbG1 THR 156 H 0.01 0.53 -0.12 -0.55 8.28 8.16 3kfbG1 THR 156 HA 0.03 -0.01 0.52 -0.75 4.39 4.18 3kfbG1 THR 156 HB 0.02 0.26 0.18 -0.04 4.32 4.73 3kfbG1 THR 156 HG23 0.03 -0.06 -0.07 -0.04 1.22 1.07 3kfbG1 SER 157 H 0.01 0.22 -0.44 -0.55 8.46 7.71 3kfbG1 SER 157 HA 0.01 0.03 0.62 -0.75 4.49 4.40 3kfbG1 SER 157 HB2 0.01 0.06 0.09 -0.04 3.95 4.06 3kfbG1 SER 157 HB3 0.01 0.07 0.10 -0.04 3.93 4.07 3kfbG1 ILE 158 H 0.01 0.35 -0.07 -0.55 8.25 7.99 3kfbG1 ILE 158 HA 0.01 0.02 0.43 -0.75 4.18 3.88 3kfbG1 ILE 158 HB 0.01 0.02 0.07 -0.04 1.89 1.95 3kfbG1 ILE 158 HG12 0.01 0.03 0.00 -0.04 1.49 1.49 3kfbG1 ILE 158 HG13 0.01 0.31 0.18 -0.04 1.21 1.67 3kfbG1 ILE 158 HG23 0.01 -0.01 -0.24 -0.04 0.93 0.65 3kfbG1 ILE 158 HD13 0.00 -0.03 -0.07 -0.04 0.88 0.75 3kfbG1 THR 159 H 0.03 0.42 -0.14 -0.55 8.28 8.04 3kfbG1 THR 159 HA 0.06 0.07 0.42 -0.75 4.39 4.18 3kfbG1 THR 159 HB 0.07 0.07 0.02 -0.04 4.32 4.44 3kfbG1 THR 159 HG23 0.19 -0.05 -0.01 -0.04 1.22 1.31 3kfbG1 GLY 160 H 0.06 -0.01 0.06 -0.55 8.43 8.00 3kfbG1 GLY 160 HA2 0.02 -0.12 -0.29 -0.51 4.01 3.11 3kfbG1 GLY 160 HA3 0.02 0.23 0.71 -0.51 4.01 4.46 3kfbG1 LYS 161 H 0.02 0.48 -0.53 -0.55 8.42 7.84 3kfbG1 LYS 161 HA 0.01 0.14 0.75 -0.75 4.32 4.47 3kfbG1 LYS 161 HB2 0.02 0.32 0.15 -0.04 1.87 2.32 3kfbG1 LYS 161 HB3 0.01 -0.11 0.13 -0.04 1.79 1.78 3kfbG1 LYS 161 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 3kfbG1 LYS 161 HG3 0.01 0.12 -0.03 -0.04 1.46 1.52 3kfbG1 LYS 161 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 3kfbG1 LYS 161 HD3 0.01 -0.14 -0.02 -0.04 1.68 1.49 3kfbG1 LYS 161 HE2 0.01 0.10 0.02 -0.04 2.99 3.08 3kfbG1 LYS 161 HE3 0.01 0.10 -0.22 -0.04 2.99 2.84 3kfbG1 GLY 162 H 0.04 -0.18 0.03 -0.55 8.43 7.77 3kfbG1 GLY 162 HA2 0.06 0.24 0.42 -0.51 4.01 4.22 3kfbG1 GLY 162 HA3 0.04 0.20 0.87 -0.51 4.01 4.61 3kfbG1 ALA 163 H 0.12 0.33 0.22 -0.55 8.40 8.53 3kfbG1 ALA 163 HA 0.06 0.08 0.53 -0.75 4.34 4.26 3kfbG1 ALA 163 HB3 0.10 0.03 0.12 -0.04 1.41 1.62 3kfbG1 GLU 164 H 0.03 0.10 -0.22 -0.55 8.60 7.97 3kfbG1 GLU 164 HA -0.00 0.14 0.32 -0.75 4.29 4.00 3kfbG1 GLU 164 HB2 0.01 0.02 0.05 -0.04 2.09 2.13 3kfbG1 GLU 164 HB3 0.02 -0.00 0.05 -0.04 1.99 2.02 3kfbG1 GLU 164 HG2 0.01 0.06 -0.32 -0.04 2.34 2.05 3kfbG1 GLU 164 HG3 0.01 -0.00 -0.06 -0.04 2.34 2.25 3kfbG1 LYS 165 H 0.02 0.22 -0.39 -0.55 8.42 7.71 3kfbG1 LYS 165 HA 0.01 0.07 0.56 -0.75 4.32 4.20 3kfbG1 LYS 165 HB2 0.02 0.21 -0.03 -0.04 1.87 2.02 3kfbG1 LYS 165 HB3 0.01 -0.03 -0.00 -0.04 1.79 1.73 3kfbG1 LYS 165 HG2 0.01 -0.05 -0.01 -0.04 1.46 1.38 3kfbG1 LYS 165 HG3 0.02 -0.09 -0.10 -0.04 1.46 1.25 3kfbG1 LYS 165 HD2 0.02 0.12 -0.17 -0.04 1.69 1.63 3kfbG1 LYS 165 HD3 0.01 -0.05 -0.06 -0.04 1.68 1.55 3kfbG1 LYS 165 HE2 0.02 -0.09 -0.03 -0.04 2.99 2.84 3kfbG1 LYS 165 HE3 0.02 -0.05 -0.02 -0.04 2.99 2.90 3kfbG1 ALA 166 H 0.01 0.20 -0.45 -0.55 8.40 7.61 3kfbG1 ALA 166 HA 0.00 0.03 0.26 -0.75 4.34 3.89 3kfbG1 ALA 166 HB3 0.00 0.03 0.11 -0.04 1.41 1.51 3kfbG1 LYS 167 H -0.00 0.47 0.28 -0.55 8.42 8.61 3kfbG1 LYS 167 HA -0.01 0.15 0.74 -0.75 4.32 4.44 3kfbG1 LYS 167 HB2 -0.00 0.16 0.03 -0.04 1.87 2.01 3kfbG1 LYS 167 HB3 -0.00 -0.07 0.11 -0.04 1.79 1.79 3kfbG1 LYS 167 HG2 -0.01 -0.23 0.03 -0.04 1.46 1.21 3kfbG1 LYS 167 HG3 -0.01 0.03 0.12 -0.04 1.46 1.56 3kfbG1 LYS 167 HD2 -0.00 0.08 0.01 -0.04 1.69 1.73 3kfbG1 LYS 167 HD3 -0.00 0.02 0.02 -0.04 1.68 1.68 3kfbG1 LYS 167 HE2 -0.00 -0.05 0.04 -0.04 2.99 2.93 3kfbG1 LYS 167 HE3 -0.01 0.01 0.04 -0.04 2.99 2.99 3kfbG1 GLU 168 H -0.01 0.20 0.19 -0.55 8.60 8.43 3kfbG1 GLU 168 HA -0.01 0.11 0.42 -0.75 4.29 4.06 3kfbG1 GLU 168 HB2 -0.01 0.00 0.21 -0.04 2.09 2.25 3kfbG1 GLU 168 HB3 -0.01 0.03 0.01 -0.04 1.99 1.98 3kfbG1 GLU 168 HG2 -0.01 0.03 0.08 -0.04 2.34 2.40 3kfbG1 GLU 168 HG3 -0.02 0.04 0.07 -0.04 2.34 2.39 3kfbG1 LYS 169 H -0.01 0.13 -0.08 -0.55 8.42 7.92 3kfbG1 LYS 169 HA -0.00 0.07 0.32 -0.75 4.32 3.96 3kfbG1 LYS 169 HB2 -0.00 0.02 0.06 -0.04 1.87 1.91 3kfbG1 LYS 169 HB3 -0.00 0.08 0.07 -0.04 1.79 1.89 3kfbG1 LYS 169 HG2 -0.00 0.02 0.04 -0.04 1.46 1.47 3kfbG1 LYS 169 HG3 -0.00 -0.07 0.06 -0.04 1.46 1.41 3kfbG1 LYS 169 HD2 -0.00 0.01 0.03 -0.04 1.69 1.70 3kfbG1 LYS 169 HD3 0.00 0.05 0.03 -0.04 1.68 1.72 3kfbG1 LYS 169 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 3kfbG1 LYS 169 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.94 3kfbG1 LEU 170 H -0.00 0.21 -0.45 -0.55 8.37 7.58 3kfbG1 LEU 170 HA 0.00 0.13 0.58 -0.75 4.35 4.31 3kfbG1 LEU 170 HB2 0.00 0.01 0.10 -0.04 1.64 1.71 3kfbG1 LEU 170 HB3 -0.00 0.14 0.16 -0.04 1.64 1.89 3kfbG1 LEU 170 HG 0.00 -0.04 -0.16 -0.04 1.64 1.40 3kfbG1 LEU 170 HD13 0.00 0.00 0.00 -0.04 0.93 0.90 3kfbG1 LEU 170 HD23 0.00 0.01 0.03 -0.04 0.89 0.90 3kfbG1 ALA 171 H -0.00 0.39 -0.02 -0.55 8.40 8.22 3kfbG1 ALA 171 HA -0.00 0.04 0.47 -0.75 4.34 4.09 3kfbG1 ALA 171 HB3 -0.00 0.05 0.06 -0.04 1.41 1.48 3kfbG1 GLU 172 H -0.00 0.36 -0.20 -0.55 8.60 8.22 3kfbG1 GLU 172 HA -0.00 0.04 0.40 -0.75 4.29 3.98 3kfbG1 GLU 172 HB2 -0.00 0.08 0.05 -0.04 2.09 2.18 3kfbG1 GLU 172 HB3 -0.00 0.01 -0.02 -0.04 1.99 1.93 3kfbG1 GLU 172 HG2 -0.00 -0.02 -0.00 -0.04 2.34 2.28 3kfbG1 GLU 172 HG3 -0.00 0.11 0.04 -0.04 2.34 2.45 3kfbG1 ILE 173 H -0.00 0.33 -0.31 -0.55 8.25 7.71 3kfbG1 ILE 173 HA -0.00 0.04 0.48 -0.75 4.18 3.95 3kfbG1 ILE 173 HB -0.00 0.16 0.17 -0.04 1.89 2.19 3kfbG1 ILE 173 HG12 0.00 -0.10 0.07 -0.04 1.49 1.42 3kfbG1 ILE 173 HG13 0.00 0.07 0.12 -0.04 1.21 1.36 3kfbG1 ILE 173 HG23 -0.00 -0.02 -0.26 -0.04 0.93 0.61 3kfbG1 ILE 173 HD13 0.00 -0.03 -0.01 -0.04 0.88 0.81 3kfbG1 ILE 174 H -0.00 0.45 -0.22 -0.55 8.25 7.94 3kfbG1 ILE 174 HA -0.01 0.04 0.38 -0.75 4.18 3.84 3kfbG1 ILE 174 HB -0.00 0.08 0.16 -0.04 1.89 2.09 3kfbG1 ILE 174 HG12 -0.00 -0.04 -0.02 -0.04 1.49 1.39 3kfbG1 ILE 174 HG13 -0.00 0.15 0.03 -0.04 1.21 1.35 3kfbG1 ILE 174 HG23 -0.00 -0.02 -0.22 -0.04 0.93 0.65 3kfbG1 ILE 174 HD13 0.00 -0.03 -0.07 -0.04 0.88 0.74 3kfbG1 VAL 175 H -0.00 0.60 -0.07 -0.55 8.24 8.22 3kfbG1 VAL 175 HA -0.00 0.01 0.35 -0.75 4.13 3.73 3kfbG1 VAL 175 HB -0.00 0.10 0.07 -0.04 2.12 2.24 3kfbG1 VAL 175 HG13 -0.00 -0.01 -0.13 -0.04 0.97 0.79 3kfbG1 VAL 175 HG23 -0.00 0.04 -0.12 -0.04 0.95 0.82 3kfbG1 GLU 176 H -0.00 0.34 -0.49 -0.55 8.60 7.90 3kfbG1 GLU 176 HA -0.01 0.04 0.39 -0.75 4.29 3.97 3kfbG1 GLU 176 HB2 -0.00 0.08 0.11 -0.04 2.09 2.23 3kfbG1 GLU 176 HB3 -0.01 0.07 0.07 -0.04 1.99 2.08 3kfbG1 GLU 176 HG2 -0.01 0.02 -0.04 -0.04 2.34 2.27 3kfbG1 GLU 176 HG3 -0.00 -0.02 0.06 -0.04 2.34 2.33 3kfbG1 ALA 177 H -0.01 0.35 -0.28 -0.55 8.40 7.91 3kfbG1 ALA 177 HA -0.02 0.11 0.56 -0.75 4.34 4.23 3kfbG1 ALA 177 HB3 -0.01 0.00 0.02 -0.04 1.41 1.37 3kfbG1 VAL 178 H -0.01 0.54 -0.04 -0.55 8.24 8.18 3kfbG1 VAL 178 HA -0.01 0.06 0.42 -0.75 4.13 3.83 3kfbG1 VAL 178 HB -0.01 0.05 0.01 -0.04 2.12 2.13 3kfbG1 VAL 178 HG13 -0.01 -0.02 -0.19 -0.04 0.97 0.70 3kfbG1 VAL 178 HG23 -0.01 0.04 0.02 -0.04 0.95 0.96 3kfbG1 SER 179 H -0.01 0.39 -0.30 -0.55 8.46 7.99 3kfbG1 SER 179 HA -0.01 0.04 0.38 -0.75 4.49 4.14 3kfbG1 SER 179 HB2 -0.01 0.08 0.11 -0.04 3.95 4.09 3kfbG1 SER 179 HB3 -0.01 -0.04 0.00 -0.04 3.93 3.84 3kfbG1 ALA 180 H -0.03 0.15 -0.64 -0.55 8.40 7.33 3kfbG1 ALA 180 HA -0.06 0.06 0.39 -0.75 4.34 3.98 3kfbG1 ALA 180 HB3 -0.05 0.06 0.04 -0.04 1.41 1.42 3kfbG1 VAL 181 H -0.03 0.21 -0.29 -0.55 8.24 7.57 3kfbG1 VAL 181 HA -0.05 0.23 0.45 -0.75 4.13 4.01 3kfbG1 VAL 181 HB -0.03 -0.03 0.14 -0.04 2.12 2.16 3kfbG1 VAL 181 HG13 -0.03 0.02 -0.30 -0.04 0.97 0.61 3kfbG1 VAL 181 HG23 -0.02 -0.02 -0.05 -0.04 0.95 0.81 3kfbG1 VAL 182 H -0.03 0.24 -0.65 -0.55 8.24 7.25 3kfbG1 VAL 182 HA -0.01 0.07 0.44 -0.75 4.13 3.87 3kfbG1 VAL 182 HB -0.01 0.02 0.03 -0.04 2.12 2.13 3kfbG1 VAL 182 HG13 -0.00 -0.03 -0.39 -0.04 0.97 0.51 3kfbG1 VAL 182 HG23 -0.01 -0.01 -0.06 -0.04 0.95 0.82 3kfbG1 ASP 183 H -0.00 0.34 0.24 -0.55 8.40 8.43 3kfbG1 ASP 183 HA 0.00 0.14 0.76 -0.75 4.63 4.79 3kfbG1 ASP 183 HB2 0.00 0.02 -0.04 -0.04 2.71 2.65 3kfbG1 ASP 183 HB3 -0.00 0.06 0.06 -0.04 2.70 2.77 3kfbG1 ASP 184 H 0.02 0.24 0.18 -0.55 8.40 8.28 3kfbG1 ASP 184 HA 0.01 -0.04 0.45 -0.75 4.63 4.30 3kfbG1 ASP 184 HB2 0.02 0.00 0.20 -0.04 2.71 2.90 3kfbG1 ASP 184 HB3 0.02 -0.04 0.06 -0.04 2.70 2.70 3kfbG1 GLU 185 H 0.01 0.11 0.16 -0.55 8.60 8.33 3kfbG1 GLU 185 HA 0.01 0.02 0.51 -0.75 4.29 4.07 3kfbG1 GLU 185 HB2 0.00 -0.01 0.03 -0.04 2.09 2.07 3kfbG1 GLU 185 HB3 0.00 0.04 0.08 -0.04 1.99 2.08 3kfbG1 GLU 185 HG2 0.01 -0.05 0.05 -0.04 2.34 2.30 3kfbG1 GLU 185 HG3 0.00 0.00 0.05 -0.04 2.34 2.36 3kfbG1 GLY 186 H 0.00 -0.02 0.14 -0.55 8.43 8.00 3kfbG1 GLY 186 HA2 0.00 0.16 0.19 -0.51 4.01 3.86 3kfbG1 GLY 186 HA3 0.00 0.01 0.31 -0.51 4.01 3.82 3kfbG1 LYS 187 H 0.00 0.19 0.17 -0.55 8.42 8.23 3kfbG1 LYS 187 HA -0.00 0.15 0.51 -0.75 4.32 4.23 3kfbG1 LYS 187 HB2 -0.00 0.01 0.06 -0.04 1.87 1.89 3kfbG1 LYS 187 HB3 -0.00 0.02 0.07 -0.04 1.79 1.84 3kfbG1 LYS 187 HG2 0.00 -0.16 0.08 -0.04 1.46 1.34 3kfbG1 LYS 187 HG3 -0.00 0.02 0.05 -0.04 1.46 1.49 3kfbG1 LYS 187 HD2 -0.00 0.01 0.04 -0.04 1.69 1.70 3kfbG1 LYS 187 HD3 -0.00 0.06 -0.01 -0.04 1.68 1.69 3kfbG1 LYS 187 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 3kfbG1 LYS 187 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.95 3kfbG1 VAL 188 H -0.00 0.18 0.16 -0.55 8.24 8.02 3kfbG1 VAL 188 HA -0.01 0.25 1.01 -0.75 4.13 4.63 3kfbG1 VAL 188 HB -0.01 -0.04 0.16 -0.04 2.12 2.19 3kfbG1 VAL 188 HG13 -0.01 -0.01 -0.26 -0.04 0.97 0.66 3kfbG1 VAL 188 HG23 -0.01 0.02 -0.11 -0.04 0.95 0.81 3kfbG1 ASP 189 H -0.01 0.36 0.10 -0.55 8.40 8.30 3kfbG1 ASP 189 HA -0.01 0.10 0.76 -0.75 4.63 4.73 3kfbG1 ASP 189 HB2 -0.01 0.06 0.06 -0.04 2.71 2.78 3kfbG1 ASP 189 HB3 -0.01 0.09 0.18 -0.04 2.70 2.92 3kfbG1 LYS 190 H -0.01 0.24 0.17 -0.55 8.42 8.26 3kfbG1 LYS 190 HA -0.01 0.12 0.36 -0.75 4.32 4.04 3kfbG1 LYS 190 HB2 -0.01 -0.01 0.11 -0.04 1.87 1.92 3kfbG1 LYS 190 HB3 -0.01 0.01 0.06 -0.04 1.79 1.81 3kfbG1 LYS 190 HG2 -0.00 0.02 -0.03 -0.04 1.46 1.40 3kfbG1 LYS 190 HG3 -0.01 0.02 -0.08 -0.04 1.46 1.35 3kfbG1 LYS 190 HD2 -0.01 0.07 0.06 -0.04 1.69 1.77 3kfbG1 LYS 190 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 3kfbG1 LYS 190 HE2 -0.00 0.04 -0.01 -0.04 2.99 2.97 3kfbG1 LYS 190 HE3 -0.00 -0.03 0.02 -0.04 2.99 2.93 3kfbG1 ASP 191 H -0.01 0.04 -0.30 -0.55 8.40 7.58 3kfbG1 ASP 191 HA -0.02 0.13 0.35 -0.75 4.63 4.34 3kfbG1 ASP 191 HB2 -0.01 0.01 -0.03 -0.04 2.71 2.63 3kfbG1 ASP 191 HB3 -0.01 0.01 0.05 -0.04 2.70 2.70 3kfbG1 LEU 192 H -0.02 0.34 -0.47 -0.55 8.37 7.68 3kfbG1 LEU 192 HA -0.02 0.05 0.58 -0.75 4.35 4.21 3kfbG1 LEU 192 HB2 -0.02 0.20 0.16 -0.04 1.64 1.94 3kfbG1 LEU 192 HB3 -0.03 0.11 0.16 -0.04 1.64 1.84 3kfbG1 LEU 192 HG -0.02 -0.19 -0.00 -0.04 1.64 1.39 3kfbG1 LEU 192 HD13 -0.02 0.04 0.14 -0.04 0.93 1.06 3kfbG1 LEU 192 HD23 -0.02 0.02 0.03 -0.04 0.89 0.88 3kfbG1 ILE 193 H -0.02 0.23 -0.26 -0.55 8.25 7.65 3kfbG1 ILE 193 HA -0.03 0.24 0.91 -0.75 4.18 4.54 3kfbG1 ILE 193 HB -0.02 0.05 0.17 -0.04 1.89 2.05 3kfbG1 ILE 193 HG12 -0.02 0.07 -0.16 -0.04 1.49 1.34 3kfbG1 ILE 193 HG13 -0.02 -0.02 -0.12 -0.04 1.21 1.01 3kfbG1 ILE 193 HG23 -0.02 -0.03 -0.21 -0.04 0.93 0.63 3kfbG1 ILE 193 HD13 -0.01 -0.02 -0.13 -0.04 0.88 0.68 3kfbG1 LYS 194 H -0.03 0.62 0.25 -0.55 8.42 8.71 3kfbG1 LYS 194 HA -0.03 0.03 0.41 -0.75 4.32 3.98 3kfbG1 LYS 194 HB2 -0.04 0.06 0.04 -0.04 1.87 1.89 3kfbG1 LYS 194 HB3 -0.05 -0.04 0.15 -0.04 1.79 1.81 3kfbG1 LYS 194 HG2 -0.05 -0.03 -0.32 -0.04 1.46 1.02 3kfbG1 LYS 194 HG3 -0.04 0.01 -0.04 -0.04 1.46 1.35 3kfbG1 LYS 194 HD2 -0.06 0.02 -0.02 -0.04 1.69 1.59 3kfbG1 LYS 194 HD3 -0.08 -0.12 -0.02 -0.04 1.68 1.43 3kfbG1 LYS 194 HE2 -0.06 -0.00 -0.04 -0.04 2.99 2.84 3kfbG1 LYS 194 HE3 -0.05 -0.01 -0.03 -0.04 2.99 2.85 3kfbG1 ILE 195 H -0.03 0.17 0.22 -0.55 8.25 8.06 3kfbG1 ILE 195 HA -0.03 0.21 1.08 -0.75 4.18 4.70 3kfbG1 ILE 195 HB -0.02 -0.03 0.19 -0.04 1.89 2.00 3kfbG1 ILE 195 HG12 -0.01 -0.02 -0.03 -0.04 1.49 1.39 3kfbG1 ILE 195 HG13 -0.02 0.13 -0.22 -0.04 1.21 1.06 3kfbG1 ILE 195 HG23 -0.01 -0.02 -0.15 -0.04 0.93 0.71 3kfbG1 ILE 195 HD13 -0.01 -0.00 -0.02 -0.04 0.88 0.80 3kfbG1 GLU 196 H -0.03 0.67 0.34 -0.55 8.60 9.04 3kfbG1 GLU 196 HA -0.03 0.14 0.91 -0.75 4.29 4.54 3kfbG1 GLU 196 HB2 -0.06 -0.00 -0.11 -0.04 2.09 1.87 3kfbG1 GLU 196 HB3 -0.05 -0.04 0.00 -0.04 1.99 1.86 3kfbG1 GLU 196 HG2 -0.08 -0.02 -0.13 -0.04 2.34 2.06 3kfbG1 GLU 196 HG3 -0.04 -0.01 -0.13 -0.04 2.34 2.12 3kfbG1 LYS 197 H -0.02 0.17 0.11 -0.55 8.42 8.13 3kfbG1 LYS 197 HA -0.01 0.41 1.03 -0.75 4.32 5.00 3kfbG1 LYS 197 HB2 -0.02 -0.03 0.15 -0.04 1.87 1.93 3kfbG1 LYS 197 HB3 -0.02 -0.03 -0.05 -0.04 1.79 1.66 3kfbG1 LYS 197 HG2 -0.01 0.07 -0.17 -0.04 1.46 1.30 3kfbG1 LYS 197 HG3 -0.02 0.00 -0.25 -0.04 1.46 1.16 3kfbG1 LYS 197 HD2 -0.02 -0.05 -0.15 -0.04 1.69 1.43 3kfbG1 LYS 197 HD3 -0.01 -0.00 -0.10 -0.04 1.68 1.53 3kfbG1 LYS 197 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.92 3kfbG1 LYS 197 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 3kfbG1 LYS 198 H 0.00 0.49 0.20 -0.55 8.42 8.55 3kfbG1 LYS 198 HA 0.00 0.13 0.86 -0.75 4.32 4.56 3kfbG1 LYS 198 HB2 0.03 0.03 -0.09 -0.04 1.87 1.79 3kfbG1 LYS 198 HB3 0.03 -0.04 -0.07 -0.04 1.79 1.67 3kfbG1 LYS 198 HG2 -0.01 -0.12 -0.50 -0.04 1.46 0.79 3kfbG1 LYS 198 HG3 0.02 0.00 -0.20 -0.04 1.46 1.24 3kfbG1 LYS 198 HD2 0.02 0.09 -0.07 -0.04 1.69 1.69 3kfbG1 LYS 198 HD3 0.00 0.06 0.02 -0.04 1.68 1.73 3kfbG1 LYS 198 HE2 -0.02 -0.07 -0.16 -0.04 2.99 2.69 3kfbG1 LYS 198 HE3 -0.01 -0.01 -0.14 -0.04 2.99 2.79 3kfbG1 SER 199 H 0.01 0.09 0.09 -0.55 8.46 8.10 3kfbG1 SER 199 HA 0.00 0.16 0.43 -0.75 4.49 4.33 3kfbG1 SER 199 HB2 0.00 0.11 0.22 -0.04 3.95 4.24 3kfbG1 SER 199 HB3 0.00 -0.01 0.12 -0.04 3.93 4.00 3kfbG1 GLY 200 H 0.01 0.07 0.14 -0.55 8.43 8.11 3kfbG1 GLY 200 HA2 0.01 0.00 0.33 -0.51 4.01 3.84 3kfbG1 GLY 200 HA3 0.01 0.19 0.69 -0.51 4.01 4.40 3kfbG1 ALA 201 H 0.01 0.18 0.05 -0.55 8.40 8.09 3kfbG1 ALA 201 HA 0.01 0.10 0.80 -0.75 4.34 4.50 3kfbG1 ALA 201 HB3 0.01 0.02 0.12 -0.04 1.41 1.51 3kfbG1 SER 202 H 0.01 0.06 -0.20 -0.55 8.46 7.79 3kfbG1 SER 202 HA 0.01 0.27 0.44 -0.75 4.49 4.45 3kfbG1 SER 202 HB2 0.01 0.12 -0.50 -0.04 3.95 3.54 3kfbG1 SER 202 HB3 0.01 -0.03 -0.58 -0.04 3.93 3.29 3kfbG1 ILE 203 H 0.01 0.36 -0.17 -0.55 8.25 7.90 3kfbG1 ILE 203 HA 0.01 0.25 0.49 -0.75 4.18 4.18 3kfbG1 ILE 203 HB 0.01 0.14 0.42 -0.04 1.89 2.41 3kfbG1 ILE 203 HG12 0.01 0.07 0.14 -0.04 1.49 1.67 3kfbG1 ILE 203 HG13 0.01 -0.20 0.12 -0.04 1.21 1.10 3kfbG1 ILE 203 HG23 0.01 0.02 -0.04 -0.04 0.93 0.87 3kfbG1 ILE 203 HD13 0.01 0.01 0.03 -0.04 0.88 0.89 3kfbG1 ASP 204 H 0.01 0.20 -0.99 -0.55 8.40 7.07 3kfbG1 ASP 204 HA 0.00 0.20 0.71 -0.75 4.63 4.79 3kfbG1 ASP 204 HB2 0.00 0.05 0.01 -0.04 2.71 2.73 3kfbG1 ASP 204 HB3 0.00 0.01 0.07 -0.04 2.70 2.74 3kfbG1 ASP 205 H 0.01 -0.14 -0.22 -0.55 8.40 7.50 3kfbG1 ASP 205 HA 0.01 0.23 0.55 -0.75 4.63 4.67 3kfbG1 ASP 205 HB2 0.01 -0.13 -0.13 -0.04 2.71 2.43 3kfbG1 ASP 205 HB3 0.02 0.04 0.05 -0.04 2.70 2.77 3kfbG1 THR 206 H 0.01 0.08 -0.60 -0.55 8.28 7.22 3kfbG1 THR 206 HA 0.01 0.27 0.76 -0.75 4.39 4.68 3kfbG1 THR 206 HB 0.01 0.07 -0.04 -0.04 4.32 4.32 3kfbG1 THR 206 HG23 0.01 -0.20 0.19 -0.04 1.22 1.18 3kfbG1 GLU 207 H 0.02 0.33 0.25 -0.55 8.60 8.65 3kfbG1 GLU 207 HA 0.01 0.19 0.88 -0.75 4.29 4.62 3kfbG1 GLU 207 HB2 0.03 0.06 -0.04 -0.04 2.09 2.09 3kfbG1 GLU 207 HB3 0.02 0.03 -0.15 -0.04 1.99 1.86 3kfbG1 GLU 207 HG2 0.04 0.09 0.05 -0.04 2.34 2.48 3kfbG1 GLU 207 HG3 0.05 -0.08 -0.15 -0.04 2.34 2.11 3kfbG1 LEU 208 H 0.01 0.17 0.12 -0.55 8.37 8.13 3kfbG1 LEU 208 HA -0.00 0.15 0.83 -0.75 4.35 4.58 3kfbG1 LEU 208 HB2 -0.00 0.02 0.06 -0.04 1.64 1.67 3kfbG1 LEU 208 HB3 0.00 -0.04 0.18 -0.04 1.64 1.74 3kfbG1 LEU 208 HG -0.00 -0.06 -0.33 -0.04 1.64 1.20 3kfbG1 LEU 208 HD13 -0.01 0.05 -0.09 -0.04 0.93 0.83 3kfbG1 LEU 208 HD23 -0.01 0.05 -0.09 -0.04 0.89 0.80 3kfbG1 ILE 209 H -0.01 0.75 0.29 -0.55 8.25 8.74 3kfbG1 ILE 209 HA 0.02 0.11 0.93 -0.75 4.18 4.49 3kfbG1 ILE 209 HB -0.03 0.04 0.08 -0.04 1.89 1.95 3kfbG1 ILE 209 HG12 0.09 0.00 -0.12 -0.04 1.49 1.42 3kfbG1 ILE 209 HG13 0.04 -0.01 -0.31 -0.04 1.21 0.88 3kfbG1 ILE 209 HG23 0.00 -0.04 -0.33 -0.04 0.93 0.53 3kfbG1 ILE 209 HD13 -0.02 -0.01 -0.17 -0.04 0.88 0.64 3kfbG1 LYS 210 H 0.01 0.14 0.08 -0.55 8.42 8.09 3kfbG1 LYS 210 HA -0.02 0.21 0.74 -0.75 4.32 4.51 3kfbG1 LYS 210 HB2 0.01 -0.16 0.30 -0.04 1.87 1.97 3kfbG1 LYS 210 HB3 -0.00 0.14 0.22 -0.04 1.79 2.11 3kfbG1 LYS 210 HG2 -0.02 0.11 0.01 -0.04 1.46 1.52 3kfbG1 LYS 210 HG3 -0.00 -0.07 -0.06 -0.04 1.46 1.28 3kfbG1 LYS 210 HD2 0.01 -0.09 0.07 -0.04 1.69 1.64 3kfbG1 LYS 210 HD3 -0.00 0.20 0.08 -0.04 1.68 1.91 3kfbG1 LYS 210 HE2 -0.00 -0.07 -0.01 -0.04 2.99 2.87 3kfbG1 LYS 210 HE3 0.00 -0.01 0.03 -0.04 2.99 2.97 3kfbG1 GLY 211 H -0.02 0.49 -0.02 -0.55 8.43 8.33 3kfbG1 GLY 211 HA2 -0.02 0.06 0.34 -0.51 4.01 3.88 3kfbG1 GLY 211 HA3 -0.01 0.32 0.56 -0.51 4.01 4.38 3kfbG1 VAL 212 H -0.05 0.56 0.28 -0.55 8.24 8.48 3kfbG1 VAL 212 HA -0.09 0.15 0.76 -0.75 4.13 4.20 3kfbG1 VAL 212 HB -0.14 -0.03 -0.06 -0.04 2.12 1.85 3kfbG1 VAL 212 HG13 -0.13 -0.00 -0.17 -0.04 0.97 0.63 3kfbG1 VAL 212 HG23 -0.09 -0.00 -0.48 -0.04 0.95 0.34 3kfbG1 LEU 213 H -0.13 0.22 0.04 -0.55 8.37 7.95 3kfbG1 LEU 213 HA -0.25 0.25 0.94 -0.75 4.35 4.53 3kfbG1 LEU 213 HB2 -0.26 -0.01 -0.10 -0.04 1.64 1.23 3kfbG1 LEU 213 HB3 -0.19 -0.02 0.04 -0.04 1.64 1.43 3kfbG1 LEU 213 HG -0.40 0.04 -0.21 -0.04 1.64 1.03 3kfbG1 LEU 213 HD13 -1.45 0.01 -0.10 -0.04 0.93 -0.66 3kfbG1 LEU 213 HD23 -0.27 -0.01 -0.16 -0.04 0.89 0.41 3kfbG1 VAL 214 H -0.08 0.60 0.17 -0.55 8.24 8.38 3kfbG1 VAL 214 HA -0.07 0.11 0.82 -0.75 4.13 4.24 3kfbG1 VAL 214 HB 0.09 0.02 0.13 -0.04 2.12 2.32 3kfbG1 VAL 214 HG13 0.05 -0.01 -0.18 -0.04 0.97 0.79 3kfbG1 VAL 214 HG23 -0.30 0.02 -0.16 -0.04 0.95 0.46 3kfbG1 ASP 215 H -0.02 0.15 0.11 -0.55 8.40 8.09 3kfbG1 ASP 215 HA 0.00 0.13 0.47 -0.75 4.63 4.48 3kfbG1 ASP 215 HB2 -0.02 -0.00 0.12 -0.04 2.71 2.77 3kfbG1 ASP 215 HB3 -0.00 -0.02 0.21 -0.04 2.70 2.85 3kfbG1 LYS 216 H 0.06 0.50 -0.16 -0.55 8.42 8.27 3kfbG1 LYS 216 HA 0.04 0.16 0.77 -0.75 4.32 4.53 3kfbG1 LYS 216 HB2 0.09 -0.17 -0.26 -0.04 1.87 1.49 3kfbG1 LYS 216 HB3 0.10 0.06 -0.11 -0.04 1.79 1.80 3kfbG1 LYS 216 HG2 0.04 0.01 0.12 -0.04 1.46 1.59 3kfbG1 LYS 216 HG3 0.06 0.01 -0.11 -0.04 1.46 1.37 3kfbG1 LYS 216 HD2 0.04 0.66 0.04 -0.04 1.69 2.39 3kfbG1 LYS 216 HD3 0.07 -0.16 -0.13 -0.04 1.68 1.41 3kfbG1 LYS 216 HE2 0.02 0.14 0.11 -0.04 2.99 3.22 3kfbG1 LYS 216 HE3 0.03 -0.42 0.17 -0.04 2.99 2.73 3kfbG1 GLU 217 H 0.04 0.13 0.10 -0.55 8.60 8.32 3kfbG1 GLU 217 HA 0.05 0.23 0.85 -0.75 4.29 4.66 3kfbG1 GLU 217 HB2 0.02 0.01 -0.03 -0.04 2.09 2.05 3kfbG1 GLU 217 HB3 0.02 -0.03 0.09 -0.04 1.99 2.03 3kfbG1 GLU 217 HG2 0.04 0.08 -0.14 -0.04 2.34 2.28 3kfbG1 GLU 217 HG3 0.03 -0.05 -0.25 -0.04 2.34 2.03 3kfbG1 ARG 218 H 0.01 0.13 0.04 -0.55 8.46 8.09 3kfbG1 ARG 218 HA -0.04 0.16 0.55 -0.75 4.34 4.26 3kfbG1 ARG 218 HB2 -0.03 -0.00 0.08 -0.04 1.90 1.91 3kfbG1 ARG 218 HB3 -0.02 0.02 0.06 -0.04 1.80 1.83 3kfbG1 ARG 218 HG2 -0.00 -0.14 -0.02 -0.04 1.67 1.47 3kfbG1 ARG 218 HG3 -0.01 0.24 -0.27 -0.04 1.67 1.59 3kfbG1 ARG 218 HD2 -0.00 0.04 -0.02 -0.04 3.22 3.20 3kfbG1 ARG 218 HD3 0.00 -0.09 -0.01 -0.04 3.22 3.09 3kfbG1 VAL 219 H -0.03 0.68 0.40 -0.55 8.24 8.73 3kfbG1 VAL 219 HA -0.00 0.06 0.37 -0.75 4.13 3.80 3kfbG1 VAL 219 HB -0.01 -0.10 0.08 -0.04 2.12 2.05 3kfbG1 VAL 219 HG13 -0.02 0.05 -0.04 -0.04 0.97 0.91 3kfbG1 VAL 219 HG23 -0.00 -0.02 -0.02 -0.04 0.95 0.87 3kfbG1 SER 220 H -0.02 0.16 -0.08 -0.55 8.46 7.97 3kfbG1 SER 220 HA -0.00 0.22 0.90 -0.75 4.49 4.86 3kfbG1 SER 220 HB2 -0.00 0.02 -0.06 -0.04 3.95 3.86 3kfbG1 SER 220 HB3 -0.01 0.05 0.06 -0.04 3.93 3.98 3kfbG1 ALA 221 H -0.00 0.16 0.09 -0.55 8.40 8.11 3kfbG1 ALA 221 HA -0.00 0.16 0.33 -0.75 4.34 4.07 3kfbG1 ALA 221 HB3 -0.00 0.01 0.08 -0.04 1.41 1.45 3kfbG1 GLN 222 H -0.01 -0.05 -0.39 -0.55 8.47 7.48 3kfbG1 GLN 222 HA -0.01 0.10 0.38 -0.75 4.36 4.08 3kfbG1 GLN 222 HB2 0.00 -0.11 0.03 -0.04 2.15 2.03 3kfbG1 GLN 222 HB3 -0.02 0.01 -0.07 -0.04 2.02 1.90 3kfbG1 GLN 222 HG2 -0.01 0.10 0.04 -0.04 2.40 2.48 3kfbG1 GLN 222 HG3 -0.00 -0.03 0.02 -0.04 2.39 2.34 3kfbG1 GLN 222 HE21 -0.02 -0.03 -0.06 -0.04 6.97 6.83 3kfbG1 GLN 222 HE22 -0.01 0.05 -0.04 -0.04 7.69 7.64 3kfbG1 MET 223 H -0.02 0.21 -0.44 -0.55 8.47 7.67 3kfbG1 MET 223 HA -0.02 0.14 0.43 -0.75 4.52 4.31 3kfbG1 MET 223 HB2 -0.03 0.08 0.08 -0.04 2.15 2.24 3kfbG1 MET 223 HB3 -0.03 0.04 -0.05 -0.04 2.03 1.95 3kfbG1 MET 223 HG2 -0.03 0.14 -0.13 -0.04 2.63 2.57 3kfbG1 MET 223 HG3 -0.03 -0.17 -0.03 -0.04 2.56 2.29 3kfbG1 MET 223 HE3 -0.03 -0.01 0.01 -0.04 2.10 2.03 3kfbG1 PRO 224 HA -0.01 0.06 0.42 -0.51 4.44 4.39 3kfbG1 PRO 224 HB2 -0.01 -0.01 -0.03 -0.04 2.28 2.19 3kfbG1 PRO 224 HB3 -0.01 0.01 0.16 -0.04 2.02 2.14 3kfbG1 PRO 224 HG2 -0.01 0.22 0.13 -0.04 2.03 2.33 3kfbG1 PRO 224 HG3 -0.01 0.04 0.12 -0.04 2.03 2.14 3kfbG1 PRO 224 HD2 -0.02 0.07 -0.03 -0.04 3.68 3.65 3kfbG1 PRO 224 HD3 -0.02 0.15 0.15 -0.04 3.65 3.89 3kfbG1 LYS 225 H -0.01 0.09 0.22 -0.55 8.42 8.17 3kfbG1 LYS 225 HA -0.00 0.15 0.77 -0.75 4.32 4.49 3kfbG1 LYS 225 HB2 -0.00 0.10 0.01 -0.04 1.87 1.94 3kfbG1 LYS 225 HB3 -0.01 -0.01 0.10 -0.04 1.79 1.83 3kfbG1 LYS 225 HG2 -0.01 -0.08 0.17 -0.04 1.46 1.51 3kfbG1 LYS 225 HG3 0.00 0.01 0.20 -0.04 1.46 1.63 3kfbG1 LYS 225 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 3kfbG1 LYS 225 HD3 -0.01 -0.00 0.05 -0.04 1.68 1.68 3kfbG1 LYS 225 HE2 -0.00 0.02 0.03 -0.04 2.99 3.00 3kfbG1 LYS 225 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.93 3kfbG1 LYS 226 H -0.00 0.12 0.06 -0.55 8.42 8.04 3kfbG1 LYS 226 HA 0.01 0.18 0.76 -0.75 4.32 4.52 3kfbG1 LYS 226 HB2 -0.01 0.03 -0.15 -0.04 1.87 1.70 3kfbG1 LYS 226 HB3 -0.01 -0.02 0.09 -0.04 1.79 1.81 3kfbG1 LYS 226 HG2 -0.00 0.01 -0.19 -0.04 1.46 1.24 3kfbG1 LYS 226 HG3 -0.00 0.01 0.01 -0.04 1.46 1.44 3kfbG1 LYS 226 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.57 3kfbG1 LYS 226 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 3kfbG1 LYS 226 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.90 3kfbG1 LYS 226 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.89 3kfbG1 VAL 227 H 0.02 0.69 0.28 -0.55 8.24 8.69 3kfbG1 VAL 227 HA 0.01 0.19 1.01 -0.75 4.13 4.57 3kfbG1 VAL 227 HB 0.02 -0.09 0.07 -0.04 2.12 2.08 3kfbG1 VAL 227 HG13 0.01 0.04 -0.11 -0.04 0.97 0.86 3kfbG1 VAL 227 HG23 -0.00 0.02 -0.17 -0.04 0.95 0.76 3kfbG1 THR 228 H 0.01 0.19 0.13 -0.55 8.28 8.06 3kfbG1 THR 228 HA 0.02 0.25 1.06 -0.75 4.39 4.96 3kfbG1 THR 228 HB 0.01 0.04 0.09 -0.04 4.32 4.43 3kfbG1 THR 228 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.13 3kfbG1 ASP 229 H 0.02 0.51 0.25 -0.55 8.40 8.63 3kfbG1 ASP 229 HA 0.02 0.08 0.35 -0.75 4.63 4.32 3kfbG1 ASP 229 HB2 0.01 0.06 -0.02 -0.04 2.71 2.72 3kfbG1 ASP 229 HB3 0.01 0.00 0.18 -0.04 2.70 2.86 3kfbG1 ALA 230 H 0.03 0.18 -0.19 -0.55 8.40 7.87 3kfbG1 ALA 230 HA 0.02 0.13 0.35 -0.75 4.34 4.08 3kfbG1 ALA 230 HB3 0.03 -0.03 -0.19 -0.04 1.41 1.18 3kfbG1 LYS 231 H 0.02 0.12 0.18 -0.55 8.42 8.19 3kfbG1 LYS 231 HA 0.03 0.36 1.00 -0.75 4.32 4.95 3kfbG1 LYS 231 HB2 0.02 -0.05 0.15 -0.04 1.87 1.94 3kfbG1 LYS 231 HB3 0.02 0.07 -0.04 -0.04 1.79 1.80 3kfbG1 LYS 231 HG2 0.01 0.03 -0.01 -0.04 1.46 1.45 3kfbG1 LYS 231 HG3 0.02 0.04 -0.12 -0.04 1.46 1.36 3kfbG1 LYS 231 HD2 0.01 -0.23 0.18 -0.04 1.69 1.61 3kfbG1 LYS 231 HD3 0.01 0.15 0.13 -0.04 1.68 1.93 3kfbG1 LYS 231 HE2 0.01 -0.06 0.03 -0.04 2.99 2.93 3kfbG1 LYS 231 HE3 0.01 0.08 -0.01 -0.04 2.99 3.04 3kfbG1 ILE 232 H 0.05 0.65 0.09 -0.55 8.25 8.50 3kfbG1 ILE 232 HA 0.07 0.26 0.61 -0.75 4.18 4.36 3kfbG1 ILE 232 HB 0.09 -0.09 -0.07 -0.04 1.89 1.77 3kfbG1 ILE 232 HG12 0.12 -0.01 -0.32 -0.04 1.49 1.24 3kfbG1 ILE 232 HG13 0.08 0.12 -0.32 -0.04 1.21 1.04 3kfbG1 ILE 232 HG23 0.25 -0.02 -0.35 -0.04 0.93 0.77 3kfbG1 ILE 232 HD13 0.12 -0.02 -0.22 -0.04 0.88 0.72 3kfbG1 ALA 233 H 0.06 0.66 0.40 -0.55 8.40 8.96 3kfbG1 ALA 233 HA 0.05 0.20 0.96 -0.75 4.34 4.80 3kfbG1 ALA 233 HB3 0.03 0.00 0.01 -0.04 1.41 1.42 3kfbG1 LEU 234 H 0.05 0.34 0.22 -0.55 8.37 8.43 3kfbG1 LEU 234 HA 0.11 0.20 1.05 -0.75 4.35 4.97 3kfbG1 LEU 234 HB2 0.04 0.10 -0.00 -0.04 1.64 1.73 3kfbG1 LEU 234 HB3 0.04 -0.07 -0.11 -0.04 1.64 1.45 3kfbG1 LEU 234 HG 0.08 0.04 -0.05 -0.04 1.64 1.66 3kfbG1 LEU 234 HD13 0.09 0.01 -0.47 -0.04 0.93 0.51 3kfbG1 LEU 234 HD23 -0.02 -0.03 -0.20 -0.04 0.89 0.61 3kfbG1 LEU 235 H 0.07 0.59 0.25 -0.55 8.37 8.73 3kfbG1 LEU 235 HA 0.03 0.25 1.13 -0.75 4.35 5.01 3kfbG1 LEU 235 HB2 0.04 -0.01 0.03 -0.04 1.64 1.66 3kfbG1 LEU 235 HB3 0.03 -0.01 -0.04 -0.04 1.64 1.57 3kfbG1 LEU 235 HG 0.03 0.02 -0.32 -0.04 1.64 1.32 3kfbG1 LEU 235 HD13 0.02 -0.00 -0.15 -0.04 0.93 0.76 3kfbG1 LEU 235 HD23 0.02 0.02 -0.09 -0.04 0.89 0.80 3kfbG1 ASN 236 H 0.02 0.57 0.13 -0.55 8.53 8.70 3kfbG1 ASN 236 HA 0.02 0.06 0.70 -0.75 4.76 4.78 3kfbG1 ASN 236 HB2 0.02 0.00 -0.17 -0.04 2.88 2.68 3kfbG1 ASN 236 HB3 0.01 -0.02 -0.20 -0.04 2.79 2.55 3kfbG1 ASN 236 HD21 0.01 0.00 -0.03 -0.04 7.03 6.97 3kfbG1 ASN 236 HD22 0.01 0.02 -0.09 -0.04 7.74 7.63 3kfbG1 CYS 237 H 0.02 0.11 -0.03 -0.55 8.50 8.06 3kfbG1 CYS 237 HA 0.01 0.12 0.56 -0.75 4.58 4.52 3kfbG1 CYS 237 HB2 0.01 0.03 -0.18 -0.04 2.97 2.80 3kfbG1 CYS 237 HB3 0.02 -0.03 -0.13 -0.04 2.97 2.78 3kfbG1 ALA 238 H 0.02 0.16 0.15 -0.55 8.40 8.18 3kfbG1 ALA 238 HA 0.02 0.15 0.74 -0.75 4.34 4.49 3kfbG1 ALA 238 HB3 0.02 0.01 0.09 -0.04 1.41 1.49 3kfbG1 ILE 239 H 0.02 0.32 0.06 -0.55 8.25 8.11 3kfbG1 ILE 239 HA 0.02 0.17 0.62 -0.75 4.18 4.23 3kfbG1 ILE 239 HB 0.03 -0.11 0.22 -0.04 1.89 1.99 3kfbG1 ILE 239 HG12 0.02 0.03 -0.13 -0.04 1.49 1.37 3kfbG1 ILE 239 HG13 0.02 0.04 -0.05 -0.04 1.21 1.18 3kfbG1 ILE 239 HG23 0.03 -0.00 0.01 -0.04 0.93 0.93 3kfbG1 ILE 239 HD13 0.02 0.01 -0.10 -0.04 0.88 0.76 3kfbG1 GLU 240 H 0.02 0.53 -0.48 -0.55 8.60 8.13 3kfbG1 GLU 240 HA 0.03 0.06 0.78 -0.75 4.29 4.40 3kfbG1 GLU 240 HB2 0.02 0.09 -0.09 -0.04 2.09 2.07 3kfbG1 GLU 240 HB3 0.02 -0.09 0.13 -0.04 1.99 2.01 3kfbG1 GLU 240 HG2 0.02 -0.07 -0.14 -0.04 2.34 2.11 3kfbG1 GLU 240 HG3 0.02 -0.01 -0.63 -0.04 2.34 1.68 3kfbG1 ILE 241 H 0.02 0.07 0.11 -0.55 8.25 7.90 3kfbG1 ILE 241 HA 0.03 0.11 0.51 -0.75 4.18 4.08 3kfbG1 ILE 241 HB 0.02 -0.01 0.04 -0.04 1.89 1.90 3kfbG1 ILE 241 HG12 0.03 -0.11 0.08 -0.04 1.49 1.45 3kfbG1 ILE 241 HG13 0.03 0.02 0.01 -0.04 1.21 1.24 3kfbG1 ILE 241 HG23 0.03 0.03 -0.10 -0.04 0.93 0.84 3kfbG1 ILE 241 HD13 0.04 0.01 -0.06 -0.04 0.88 0.82 3kfbG1 LYS 242 H 0.02 0.15 0.13 -0.55 8.42 8.16 3kfbG1 LYS 242 HA 0.01 0.13 0.67 -0.75 4.32 4.37 3kfbG1 LYS 242 HB2 0.02 -0.03 0.19 -0.04 1.87 2.00 3kfbG1 LYS 242 HB3 0.01 0.04 0.01 -0.04 1.79 1.81 3kfbG1 LYS 242 HG2 0.01 0.04 -0.03 -0.04 1.46 1.43 3kfbG1 LYS 242 HG3 0.02 0.04 0.06 -0.04 1.46 1.53 3kfbG1 LYS 242 HD2 0.01 -0.02 0.03 -0.04 1.69 1.67 3kfbG1 LYS 242 HD3 0.01 -0.01 0.03 -0.04 1.68 1.68 3kfbG1 LYS 242 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 3kfbG1 LYS 242 HE3 0.01 0.01 0.03 -0.04 2.99 2.99 3kfbG1 GLU 243 H 0.01 0.22 0.15 -0.55 8.60 8.44 3kfbG1 GLU 243 HA 0.01 0.04 0.62 -0.75 4.29 4.21 3kfbG1 GLU 243 HB2 0.01 -0.01 0.10 -0.04 2.09 2.15 3kfbG1 GLU 243 HB3 0.00 0.09 0.00 -0.04 1.99 2.05 3kfbG1 GLU 243 HG2 0.01 -0.01 -0.02 -0.04 2.34 2.28 3kfbG1 GLU 243 HG3 0.01 -0.01 -0.06 -0.04 2.34 2.25 3kfbG1 THR 244 H 0.01 0.07 0.12 -0.55 8.28 7.93 3kfbG1 THR 244 HA 0.01 0.04 0.36 -0.75 4.39 4.05 3kfbG1 THR 244 HB 0.01 -0.02 0.02 -0.04 4.32 4.28 3kfbG1 THR 244 HG23 0.01 0.01 0.03 -0.04 1.22 1.23 3kfbG1 GLU 245 H 0.01 0.06 0.13 -0.55 8.60 8.26 3kfbG1 GLU 245 HA 0.00 0.13 0.46 -0.75 4.29 4.13 3kfbG1 GLU 245 HB2 0.00 -0.06 0.15 -0.04 2.09 2.14 3kfbG1 GLU 245 HB3 0.00 0.02 -0.03 -0.04 1.99 1.95 3kfbG1 GLU 245 HG2 0.01 0.01 0.04 -0.04 2.34 2.36 3kfbG1 GLU 245 HG3 0.00 0.00 0.04 -0.04 2.34 2.34 3kfbG1 THR 246 H 0.00 0.02 -0.01 -0.55 8.28 7.74 3kfbG1 THR 246 HA 0.00 0.06 0.65 -0.75 4.39 4.34 3kfbG1 THR 246 HB 0.00 0.08 -0.03 -0.04 4.32 4.34 3kfbG1 THR 246 HG23 0.00 -0.00 0.04 -0.04 1.22 1.22 3kfbG1 ASP 247 H 0.00 0.07 0.12 -0.55 8.40 8.04 3kfbG1 ASP 247 HA -0.00 0.07 0.14 -0.75 4.63 4.09 3kfbG1 ASP 247 HB2 -0.00 -0.04 0.10 -0.04 2.71 2.72 3kfbG1 ASP 247 HB3 -0.00 0.01 -0.04 -0.04 2.70 2.63 3kfbG1 ALA 248 H -0.00 0.18 0.17 -0.55 8.40 8.20 3kfbG1 ALA 248 HA -0.00 0.18 0.96 -0.75 4.34 4.71 3kfbG1 ALA 248 HB3 0.00 0.01 -0.00 -0.04 1.41 1.38 3kfbG1 GLU 249 H -0.02 0.26 0.16 -0.55 8.60 8.46 3kfbG1 GLU 249 HA -0.04 0.10 0.73 -0.75 4.29 4.33 3kfbG1 GLU 249 HB2 -0.02 -0.01 -0.21 -0.04 2.09 1.81 3kfbG1 GLU 249 HB3 -0.03 0.01 -0.04 -0.04 1.99 1.88 3kfbG1 GLU 249 HG2 -0.04 0.08 0.02 -0.04 2.34 2.35 3kfbG1 GLU 249 HG3 -0.04 0.01 0.12 -0.04 2.34 2.40 3kfbG1 ILE 250 H -0.11 0.14 0.14 -0.55 8.25 7.88 3kfbG1 ILE 250 HA -0.11 0.16 0.82 -0.75 4.18 4.30 3kfbG1 ILE 250 HB -0.33 -0.01 0.07 -0.04 1.89 1.58 3kfbG1 ILE 250 HG12 -0.17 0.05 -0.05 -0.04 1.49 1.28 3kfbG1 ILE 250 HG13 -0.14 -0.05 -0.10 -0.04 1.21 0.88 3kfbG1 ILE 250 HG23 -0.95 -0.01 -0.14 -0.04 0.93 -0.21 3kfbG1 ILE 250 HD13 -0.40 0.00 -0.03 -0.04 0.88 0.41 3kfbG1 ARG 251 H -0.07 0.20 0.14 -0.55 8.46 8.18 3kfbG1 ARG 251 HA -0.06 0.17 0.89 -0.75 4.34 4.58 3kfbG1 ARG 251 HB2 -0.00 -0.01 0.11 -0.04 1.90 1.96 3kfbG1 ARG 251 HB3 -0.01 0.03 -0.06 -0.04 1.80 1.72 3kfbG1 ARG 251 HG2 -0.03 -0.02 -0.51 -0.04 1.67 1.06 3kfbG1 ARG 251 HG3 -0.01 0.01 -0.09 -0.04 1.67 1.54 3kfbG1 ARG 251 HD2 -0.02 -0.01 -0.02 -0.04 3.22 3.14 3kfbG1 ARG 251 HD3 -0.04 0.11 0.02 -0.04 3.22 3.28 3kfbG1 ILE 252 H -0.04 0.24 0.08 -0.55 8.25 7.98 3kfbG1 ILE 252 HA 0.08 0.13 0.94 -0.75 4.18 4.57 3kfbG1 ILE 252 HB -0.01 0.04 0.06 -0.04 1.89 1.94 3kfbG1 ILE 252 HG12 0.12 0.01 -0.18 -0.04 1.49 1.40 3kfbG1 ILE 252 HG13 0.08 0.05 -0.21 -0.04 1.21 1.08 3kfbG1 ILE 252 HG23 0.07 -0.03 -0.25 -0.04 0.93 0.68 3kfbG1 ILE 252 HD13 -0.24 -0.01 -0.15 -0.04 0.88 0.44 3kfbG1 THR 253 H 0.05 0.05 0.19 -0.55 8.28 8.02 3kfbG1 THR 253 HA 0.02 0.26 0.92 -0.75 4.39 4.83 3kfbG1 THR 253 HB 0.02 0.02 0.05 -0.04 4.32 4.37 3kfbG1 THR 253 HG23 0.01 0.01 -0.14 -0.04 1.22 1.06 3kfbG1 ASP 254 H 0.05 -0.02 0.16 -0.55 8.40 8.05 3kfbG1 ASP 254 HA 0.02 0.31 0.88 -0.75 4.63 5.08 3kfbG1 ASP 254 HB2 0.02 0.09 0.06 -0.04 2.71 2.84 3kfbG1 ASP 254 HB3 0.03 -0.08 0.16 -0.04 2.70 2.78 3kfbG1 PRO 255 HA 0.03 0.09 0.38 -0.51 4.44 4.42 3kfbG1 PRO 255 HB2 0.01 0.05 -0.01 -0.04 2.28 2.30 3kfbG1 PRO 255 HB3 0.01 0.09 0.11 -0.04 2.02 2.19 3kfbG1 PRO 255 HG2 0.01 -0.03 0.08 -0.04 2.03 2.05 3kfbG1 PRO 255 HG3 0.01 0.12 0.09 -0.04 2.03 2.20 3kfbG1 PRO 255 HD2 0.02 0.09 0.28 -0.04 3.68 4.03 3kfbG1 PRO 255 HD3 0.02 0.27 0.20 -0.04 3.65 4.10 3kfbG1 ALA 256 H 0.02 0.14 -0.27 -0.55 8.40 7.74 3kfbG1 ALA 256 HA 0.02 0.14 0.59 -0.75 4.34 4.33 3kfbG1 ALA 256 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 3kfbG1 LYS 257 H 0.04 0.50 -0.35 -0.55 8.42 8.05 3kfbG1 LYS 257 HA 0.01 0.12 0.57 -0.75 4.32 4.26 3kfbG1 LYS 257 HB2 0.11 0.17 0.18 -0.04 1.87 2.29 3kfbG1 LYS 257 HB3 0.20 -0.01 0.13 -0.04 1.79 2.06 3kfbG1 LYS 257 HG2 0.02 -0.04 -0.02 -0.04 1.46 1.37 3kfbG1 LYS 257 HG3 0.06 -0.05 0.10 -0.04 1.46 1.52 3kfbG1 LYS 257 HD2 -0.01 0.02 0.06 -0.04 1.69 1.71 3kfbG1 LYS 257 HD3 -0.09 -0.01 0.05 -0.04 1.68 1.59 3kfbG1 LYS 257 HE2 -0.06 0.04 0.00 -0.04 2.99 2.93 3kfbG1 LYS 257 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.92 3kfbG1 LEU 258 H 0.07 0.34 -0.36 -0.55 8.37 7.87 3kfbG1 LEU 258 HA 0.14 0.06 0.47 -0.75 4.35 4.27 3kfbG1 LEU 258 HB2 0.04 0.12 0.17 -0.04 1.64 1.92 3kfbG1 LEU 258 HB3 0.05 0.00 -0.01 -0.04 1.64 1.64 3kfbG1 LEU 258 HG 0.05 -0.02 0.03 -0.04 1.64 1.66 3kfbG1 LEU 258 HD13 0.02 0.03 0.04 -0.04 0.93 0.99 3kfbG1 LEU 258 HD23 0.03 -0.00 -0.01 -0.04 0.89 0.87 3kfbG1 MET 259 H 0.04 0.24 -0.06 -0.55 8.47 8.14 3kfbG1 MET 259 HA 0.04 0.04 0.43 -0.75 4.52 4.27 3kfbG1 MET 259 HB2 0.01 0.10 0.05 -0.04 2.15 2.28 3kfbG1 MET 259 HB3 0.01 0.02 0.04 -0.04 2.03 2.07 3kfbG1 MET 259 HG2 0.02 -0.03 0.06 -0.04 2.63 2.65 3kfbG1 MET 259 HG3 0.01 0.06 0.04 -0.04 2.56 2.63 3kfbG1 MET 259 HE3 0.01 0.01 0.01 -0.04 2.10 2.10 3kfbG1 GLU 260 H 0.02 0.13 -0.74 -0.55 8.60 7.46 3kfbG1 GLU 260 HA -0.07 0.07 0.33 -0.75 4.29 3.88 3kfbG1 GLU 260 HB2 -0.14 0.24 0.17 -0.04 2.09 2.33 3kfbG1 GLU 260 HB3 -0.35 -0.00 -0.04 -0.04 1.99 1.56 3kfbG1 GLU 260 HG2 -0.08 0.00 0.02 -0.04 2.34 2.24 3kfbG1 GLU 260 HG3 -0.06 0.12 0.07 -0.04 2.34 2.43 3kfbG1 PHE 261 H 0.15 0.41 -0.05 -0.55 8.34 8.30 3kfbG1 PHE 261 HA 0.01 0.06 0.36 -0.75 4.62 4.30 3kfbG1 PHE 261 HB2 0.00 0.10 0.16 -0.04 3.15 3.38 3kfbG1 PHE 261 HB3 0.01 -0.02 -0.04 -0.04 3.06 2.96 3kfbG1 PHE 261 HD2 0.00 0.11 0.05 -0.04 7.28 7.41 3kfbG1 PHE 261 HE2 0.00 -0.01 -0.01 -0.04 7.38 7.32 3kfbG1 PHE 261 HZ 0.00 0.02 0.00 -0.04 7.32 7.31 3kfbG1 ILE 262 H 0.15 0.41 -0.05 -0.55 8.25 8.21 3kfbG1 ILE 262 HA 0.08 0.03 0.56 -0.75 4.18 4.10 3kfbG1 ILE 262 HB 0.05 0.06 0.10 -0.04 1.89 2.06 3kfbG1 ILE 262 HG12 0.05 -0.02 0.03 -0.04 1.49 1.51 3kfbG1 ILE 262 HG13 0.10 0.04 0.10 -0.04 1.21 1.41 3kfbG1 ILE 262 HG23 0.04 -0.00 -0.06 -0.04 0.93 0.87 3kfbG1 ILE 262 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.80 3kfbG1 GLU 263 H 0.04 0.61 -0.18 -0.55 8.60 8.52 3kfbG1 GLU 263 HA 0.03 -0.00 0.38 -0.75 4.29 3.95 3kfbG1 GLU 263 HB2 0.00 0.21 0.15 -0.04 2.09 2.41 3kfbG1 GLU 263 HB3 0.01 -0.03 0.02 -0.04 1.99 1.94 3kfbG1 GLU 263 HG2 0.02 -0.04 0.02 -0.04 2.34 2.31 3kfbG1 GLU 263 HG3 0.02 -0.06 0.05 -0.04 2.34 2.32 3kfbG1 GLN 264 H 0.01 0.38 -0.29 -0.55 8.47 8.02 3kfbG1 GLN 264 HA -0.01 0.08 0.60 -0.75 4.36 4.28 3kfbG1 GLN 264 HB2 -0.06 0.03 0.09 -0.04 2.15 2.17 3kfbG1 GLN 264 HB3 -0.01 0.04 0.19 -0.04 2.02 2.19 3kfbG1 GLN 264 HG2 -0.01 -0.02 -0.04 -0.04 2.40 2.28 3kfbG1 GLN 264 HG3 0.02 -0.03 -0.30 -0.04 2.39 2.04 3kfbG1 GLN 264 HE21 -0.03 0.01 0.00 -0.04 6.97 6.90 3kfbG1 GLN 264 HE22 -0.06 0.03 0.01 -0.04 7.69 7.64 3kfbG1 GLU 265 H 0.07 0.63 -0.04 -0.55 8.60 8.72 3kfbG1 GLU 265 HA 0.05 0.05 0.55 -0.75 4.29 4.19 3kfbG1 GLU 265 HB2 0.09 0.26 0.24 -0.04 2.09 2.64 3kfbG1 GLU 265 HB3 0.06 0.00 0.08 -0.04 1.99 2.09 3kfbG1 GLU 265 HG2 0.05 -0.10 0.03 -0.04 2.34 2.28 3kfbG1 GLU 265 HG3 0.06 0.01 0.06 -0.04 2.34 2.43 3kfbG1 GLU 266 H 0.05 0.64 -0.09 -0.55 8.60 8.66 3kfbG1 GLU 266 HA 0.09 -0.01 0.52 -0.75 4.29 4.13 3kfbG1 GLU 266 HB2 0.15 -0.06 0.11 -0.04 2.09 2.25 3kfbG1 GLU 266 HB3 0.08 0.02 0.09 -0.04 1.99 2.14 3kfbG1 GLU 266 HG2 0.06 0.11 0.09 -0.04 2.34 2.56 3kfbG1 GLU 266 HG3 0.09 0.01 -0.19 -0.04 2.34 2.21 3kfbG1 LYS 267 H 0.02 0.25 -0.72 -0.55 8.42 7.42 3kfbG1 LYS 267 HA -0.04 0.07 0.69 -0.75 4.32 4.28 3kfbG1 LYS 267 HB2 -0.01 0.17 0.16 -0.04 1.87 2.15 3kfbG1 LYS 267 HB3 -0.01 0.14 0.16 -0.04 1.79 2.04 3kfbG1 LYS 267 HG2 -0.03 -0.05 -0.02 -0.04 1.46 1.32 3kfbG1 LYS 267 HG3 -0.04 -0.02 0.08 -0.04 1.46 1.44 3kfbG1 LYS 267 HD2 -0.02 0.01 0.01 -0.04 1.69 1.65 3kfbG1 LYS 267 HD3 -0.02 0.01 0.00 -0.04 1.68 1.63 3kfbG1 LYS 267 HE2 -0.03 0.00 -0.00 -0.04 2.99 2.92 3kfbG1 LYS 267 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.91 3kfbG1 MET 268 H 0.02 0.36 -0.37 -0.55 8.47 7.93 3kfbG1 MET 268 HA -0.01 0.12 0.57 -0.75 4.52 4.44 3kfbG1 MET 268 HB2 0.03 0.16 0.15 -0.04 2.15 2.44 3kfbG1 MET 268 HB3 0.01 -0.05 0.08 -0.04 2.03 2.03 3kfbG1 MET 268 HG2 0.01 -0.02 0.03 -0.04 2.63 2.61 3kfbG1 MET 268 HG3 0.02 0.38 0.18 -0.04 2.56 3.09 3kfbG1 MET 268 HE3 0.03 -0.01 -0.05 -0.04 2.10 2.03 3kfbG1 LEU 269 H 0.03 0.19 -0.31 -0.55 8.37 7.73 3kfbG1 LEU 269 HA 0.03 0.12 0.61 -0.75 4.35 4.36 3kfbG1 LEU 269 HB2 0.11 0.06 0.08 -0.04 1.64 1.85 3kfbG1 LEU 269 HB3 0.19 0.00 -0.13 -0.04 1.64 1.66 3kfbG1 LEU 269 HG 0.09 -0.00 -0.04 -0.04 1.64 1.65 3kfbG1 LEU 269 HD13 0.04 0.01 -0.27 -0.04 0.93 0.68 3kfbG1 LEU 269 HD23 0.08 -0.03 -0.03 -0.04 0.89 0.87 3kfbG1 LYS 270 H -0.11 0.34 -0.24 -0.55 8.42 7.86 3kfbG1 LYS 270 HA -0.51 0.05 0.46 -0.75 4.32 3.56 3kfbG1 LYS 270 HB2 -0.19 0.07 0.14 -0.04 1.87 1.85 3kfbG1 LYS 270 HB3 -0.29 0.02 -0.01 -0.04 1.79 1.47 3kfbG1 LYS 270 HG2 -1.41 -0.03 0.03 -0.04 1.46 0.01 3kfbG1 LYS 270 HG3 -0.55 0.12 0.09 -0.04 1.46 1.08 3kfbG1 LYS 270 HD2 -0.08 -0.03 -0.02 -0.04 1.69 1.53 3kfbG1 LYS 270 HD3 -0.12 0.00 0.02 -0.04 1.68 1.54 3kfbG1 LYS 270 HE2 -0.16 0.01 -0.01 -0.04 2.99 2.78 3kfbG1 LYS 270 HE3 -0.19 0.00 -0.01 -0.04 2.99 2.75 3kfbG1 ASP 271 H -0.07 0.30 -0.46 -0.55 8.40 7.62 3kfbG1 ASP 271 HA -0.06 0.08 0.34 -0.75 4.63 4.24 3kfbG1 ASP 271 HB2 -0.02 0.07 0.10 -0.04 2.71 2.81 3kfbG1 ASP 271 HB3 -0.02 -0.02 -0.03 -0.04 2.70 2.58 3kfbG1 MET 272 H -0.02 0.28 -0.34 -0.55 8.47 7.84 3kfbG1 MET 272 HA -0.00 0.06 0.34 -0.75 4.52 4.16 3kfbG1 MET 272 HB2 0.01 0.04 0.12 -0.04 2.15 2.29 3kfbG1 MET 272 HB3 0.01 -0.05 -0.04 -0.04 2.03 1.92 3kfbG1 MET 272 HG2 0.01 -0.07 0.00 -0.04 2.63 2.52 3kfbG1 MET 272 HG3 0.00 0.31 0.13 -0.04 2.56 2.96 3kfbG1 MET 272 HE3 0.01 0.01 0.03 -0.04 2.10 2.11 3kfbG1 VAL 273 H -0.02 0.46 -0.20 -0.55 8.24 7.94 3kfbG1 VAL 273 HA 0.01 0.04 0.49 -0.75 4.13 3.92 3kfbG1 VAL 273 HB -0.02 0.09 0.06 -0.04 2.12 2.21 3kfbG1 VAL 273 HG13 0.04 -0.01 -0.27 -0.04 0.97 0.68 3kfbG1 VAL 273 HG23 0.09 -0.00 0.03 -0.04 0.95 1.03 3kfbG1 ALA 274 H -0.05 0.43 -0.33 -0.55 8.40 7.90 3kfbG1 ALA 274 HA -0.03 0.06 0.49 -0.75 4.34 4.11 3kfbG1 ALA 274 HB3 -0.05 0.02 0.08 -0.04 1.41 1.42 3kfbG1 GLU 275 H -0.02 0.29 -0.39 -0.55 8.60 7.94 3kfbG1 GLU 275 HA -0.01 0.09 0.62 -0.75 4.29 4.23 3kfbG1 GLU 275 HB2 -0.00 0.06 0.11 -0.04 2.09 2.21 3kfbG1 GLU 275 HB3 -0.00 0.06 0.03 -0.04 1.99 2.04 3kfbG1 GLU 275 HG2 -0.01 -0.02 0.02 -0.04 2.34 2.29 3kfbG1 GLU 275 HG3 -0.01 0.14 -0.00 -0.04 2.34 2.42 3kfbG1 ILE 276 H -0.00 0.29 -0.23 -0.55 8.25 7.76 3kfbG1 ILE 276 HA 0.00 0.12 0.65 -0.75 4.18 4.20 3kfbG1 ILE 276 HB 0.00 0.12 0.12 -0.04 1.89 2.08 3kfbG1 ILE 276 HG12 0.01 -0.05 -0.03 -0.04 1.49 1.38 3kfbG1 ILE 276 HG13 0.00 0.18 0.04 -0.04 1.21 1.39 3kfbG1 ILE 276 HG23 0.00 0.00 -0.15 -0.04 0.93 0.74 3kfbG1 ILE 276 HD13 0.01 -0.05 -0.10 -0.04 0.88 0.71 3kfbG1 LYS 277 H -0.01 0.38 -0.10 -0.55 8.42 8.14 3kfbG1 LYS 277 HA -0.00 0.14 0.49 -0.75 4.32 4.20 3kfbG1 LYS 277 HB2 -0.01 0.03 0.11 -0.04 1.87 1.96 3kfbG1 LYS 277 HB3 -0.01 0.05 0.05 -0.04 1.79 1.84 3kfbG1 LYS 277 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.43 3kfbG1 LYS 277 HG3 -0.01 0.06 0.04 -0.04 1.46 1.51 3kfbG1 LYS 277 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.63 3kfbG1 LYS 277 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.58 3kfbG1 LYS 277 HE2 -0.01 -0.05 0.01 -0.04 2.99 2.91 3kfbG1 LYS 277 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 3kfbG1 ALA 278 H -0.01 0.13 -0.70 -0.55 8.40 7.28 3kfbG1 ALA 278 HA -0.00 0.05 0.36 -0.75 4.34 3.99 3kfbG1 ALA 278 HB3 -0.00 0.07 0.08 -0.04 1.41 1.51 3kfbG1 SER 279 H 0.00 0.23 -0.46 -0.55 8.46 7.69 3kfbG1 SER 279 HA 0.00 0.03 0.53 -0.75 4.49 4.30 3kfbG1 SER 279 HB2 0.01 -0.01 -0.07 -0.04 3.95 3.84 3kfbG1 SER 279 HB3 0.01 0.12 -0.11 -0.04 3.93 3.91 3kfbG1 GLY 280 H 0.00 0.19 -0.30 -0.55 8.43 7.77 3kfbG1 GLY 280 HA2 0.00 0.09 0.21 -0.51 4.01 3.80 3kfbG1 GLY 280 HA3 0.00 0.12 0.56 -0.51 4.01 4.18 3kfbG1 ALA 281 H 0.00 0.09 -0.05 -0.55 8.40 7.90 3kfbG1 ALA 281 HA 0.01 0.13 0.53 -0.75 4.34 4.25 3kfbG1 ALA 281 HB3 0.01 0.01 -0.03 -0.04 1.41 1.36 3kfbG1 ASN 282 H 0.01 0.28 0.33 -0.55 8.53 8.60 3kfbG1 ASN 282 HA -0.01 0.21 0.90 -0.75 4.76 5.10 3kfbG1 ASN 282 HB2 -0.01 0.04 0.18 -0.04 2.88 3.05 3kfbG1 ASN 282 HB3 -0.00 0.08 -0.03 -0.04 2.79 2.80 3kfbG1 ASN 282 HD21 0.01 0.05 0.02 -0.04 7.03 7.06 3kfbG1 ASN 282 HD22 0.00 0.03 0.04 -0.04 7.74 7.78 3kfbG1 VAL 283 H -0.00 0.35 0.11 -0.55 8.24 8.14 3kfbG1 VAL 283 HA -0.08 0.27 0.70 -0.75 4.13 4.26 3kfbG1 VAL 283 HB 0.02 -0.04 -0.17 -0.04 2.12 1.89 3kfbG1 VAL 283 HG13 -0.08 -0.02 -0.27 -0.04 0.97 0.56 3kfbG1 VAL 283 HG23 -0.02 0.00 -0.17 -0.04 0.95 0.73 3kfbG1 LEU 284 H -0.23 0.84 0.31 -0.55 8.37 8.75 3kfbG1 LEU 284 HA -0.02 0.27 1.05 -0.75 4.35 4.89 3kfbG1 LEU 284 HB2 -0.04 0.05 -0.28 -0.04 1.64 1.34 3kfbG1 LEU 284 HB3 -0.08 -0.03 -0.06 -0.04 1.64 1.43 3kfbG1 LEU 284 HG -0.02 -0.08 -0.49 -0.04 1.64 1.01 3kfbG1 LEU 284 HD13 0.02 0.07 -0.12 -0.04 0.93 0.86 3kfbG1 LEU 284 HD23 -0.01 -0.02 -0.17 -0.04 0.89 0.65 3kfbG1 PHE 285 H 0.14 0.62 0.27 -0.55 8.34 8.82 3kfbG1 PHE 285 HA 0.01 0.15 1.04 -0.75 4.62 5.07 3kfbG1 PHE 285 HB2 0.01 0.03 0.11 -0.04 3.15 3.25 3kfbG1 PHE 285 HB3 0.00 -0.02 -0.07 -0.04 3.06 2.94 3kfbG1 PHE 285 HD2 0.01 0.03 -0.18 -0.04 7.28 7.10 3kfbG1 PHE 285 HE2 0.01 -0.00 -0.20 -0.04 7.38 7.15 3kfbG1 PHE 285 HZ 0.02 -0.01 -0.22 -0.04 7.32 7.07 3kfbG1 CYS 286 H 0.08 0.60 0.24 -0.55 8.50 8.87 3kfbG1 CYS 286 HA 0.07 0.21 0.93 -0.75 4.58 5.02 3kfbG1 CYS 286 HB2 0.03 -0.05 -0.08 -0.04 2.97 2.83 3kfbG1 CYS 286 HB3 0.03 0.01 0.03 -0.04 2.97 3.00 3kfbG1 GLN 287 H 0.04 0.62 0.34 -0.55 8.47 8.93 3kfbG1 GLN 287 HA 0.04 0.13 0.59 -0.75 4.36 4.37 3kfbG1 GLN 287 HB2 0.03 -0.01 0.06 -0.04 2.15 2.18 3kfbG1 GLN 287 HB3 0.02 0.00 0.17 -0.04 2.02 2.18 3kfbG1 GLN 287 HG2 0.02 -0.04 -0.10 -0.04 2.40 2.24 3kfbG1 GLN 287 HG3 0.02 0.17 -0.02 -0.04 2.39 2.51 3kfbG1 GLN 287 HE21 0.01 -0.00 0.00 -0.04 6.97 6.94 3kfbG1 GLN 287 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 3kfbG1 LYS 288 H 0.03 0.12 -0.10 -0.55 8.42 7.91 3kfbG1 LYS 288 HA 0.02 0.18 0.68 -0.75 4.32 4.45 3kfbG1 LYS 288 HB2 0.02 0.05 -0.12 -0.04 1.87 1.78 3kfbG1 LYS 288 HB3 0.02 -0.17 0.16 -0.04 1.79 1.76 3kfbG1 LYS 288 HG2 0.02 0.07 -0.15 -0.04 1.46 1.37 3kfbG1 LYS 288 HG3 0.02 -0.03 -0.07 -0.04 1.46 1.34 3kfbG1 LYS 288 HD2 0.01 -0.05 0.01 -0.04 1.69 1.63 3kfbG1 LYS 288 HD3 0.01 0.05 -0.10 -0.04 1.68 1.60 3kfbG1 LYS 288 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 3kfbG1 LYS 288 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 3kfbG1 GLY 289 H 0.02 0.10 0.10 -0.55 8.43 8.10 3kfbG1 GLY 289 HA2 0.02 0.11 0.48 -0.51 4.01 4.11 3kfbG1 GLY 289 HA3 0.02 0.05 0.24 -0.51 4.01 3.80 3kfbG1 ILE 290 H 0.01 0.23 0.10 -0.55 8.25 8.04 3kfbG1 ILE 290 HA 0.02 0.13 0.84 -0.75 4.18 4.41 3kfbG1 ILE 290 HB 0.01 -0.01 0.04 -0.04 1.89 1.89 3kfbG1 ILE 290 HG12 0.02 0.01 -0.12 -0.04 1.49 1.35 3kfbG1 ILE 290 HG13 0.02 -0.04 -0.36 -0.04 1.21 0.78 3kfbG1 ILE 290 HG23 0.02 0.06 -0.19 -0.04 0.93 0.78 3kfbG1 ILE 290 HD13 -0.00 0.01 -0.22 -0.04 0.88 0.63 3kfbG1 ASP 291 H 0.03 0.53 0.08 -0.55 8.40 8.49 3kfbG1 ASP 291 HA 0.02 0.07 0.39 -0.75 4.63 4.35 3kfbG1 ASP 291 HB2 0.03 0.09 0.25 -0.04 2.71 3.04 3kfbG1 ASP 291 HB3 0.04 -0.07 0.13 -0.04 2.70 2.75 3kfbG1 ASP 292 H 0.01 0.15 0.19 -0.55 8.40 8.20 3kfbG1 ASP 292 HA 0.00 0.16 0.33 -0.75 4.63 4.37 3kfbG1 ASP 292 HB2 -0.00 -0.01 0.19 -0.04 2.71 2.85 3kfbG1 ASP 292 HB3 -0.02 0.03 0.02 -0.04 2.70 2.69 3kfbG1 LEU 293 H 0.01 0.07 -0.06 -0.55 8.37 7.85 3kfbG1 LEU 293 HA -0.10 0.13 0.50 -0.75 4.35 4.12 3kfbG1 LEU 293 HB2 0.08 -0.06 0.06 -0.04 1.64 1.69 3kfbG1 LEU 293 HB3 0.10 0.08 -0.01 -0.04 1.64 1.77 3kfbG1 LEU 293 HG -0.01 -0.06 0.05 -0.04 1.64 1.58 3kfbG1 LEU 293 HD13 0.06 0.01 0.02 -0.04 0.93 0.97 3kfbG1 LEU 293 HD23 -0.06 0.03 0.02 -0.04 0.89 0.83 3kfbG1 ALA 294 H 0.07 0.11 -0.34 -0.55 8.40 7.68 3kfbG1 ALA 294 HA 0.25 0.06 0.32 -0.75 4.34 4.22 3kfbG1 ALA 294 HB3 0.08 0.04 0.05 -0.04 1.41 1.53 3kfbG1 GLN 295 H 0.02 0.34 -0.29 -0.55 8.47 8.00 3kfbG1 GLN 295 HA 0.01 0.06 0.55 -0.75 4.36 4.22 3kfbG1 GLN 295 HB2 0.01 0.15 0.06 -0.04 2.15 2.33 3kfbG1 GLN 295 HB3 0.00 -0.03 -0.07 -0.04 2.02 1.87 3kfbG1 GLN 295 HG2 0.00 -0.06 -0.10 -0.04 2.40 2.20 3kfbG1 GLN 295 HG3 0.01 0.13 -0.16 -0.04 2.39 2.33 3kfbG1 GLN 295 HE21 0.01 -0.06 -0.03 -0.04 6.97 6.85 3kfbG1 GLN 295 HE22 0.01 0.36 -0.15 -0.04 7.69 7.86 3kfbG1 HIS 296 H 0.01 0.34 -0.24 -0.55 8.41 7.98 3kfbG1 HIS 296 HA -0.09 0.05 0.47 -0.75 4.63 4.31 3kfbG1 HIS 296 HB2 -0.15 -0.02 0.11 -0.04 3.26 3.16 3kfbG1 HIS 296 HB3 -0.36 0.17 0.20 -0.04 3.20 3.16 3kfbG1 HIS 296 HD2 -0.08 -0.01 0.01 -0.04 6.97 6.85 3kfbG1 HIS 296 HE1 -0.08 0.01 -0.06 -0.04 7.75 7.58 3kfbG1 TYR 297 H -0.07 0.31 -0.11 -0.55 8.29 7.87 3kfbG1 TYR 297 HA -0.17 0.10 0.47 -0.75 4.56 4.21 3kfbG1 TYR 297 HB2 0.00 0.01 0.06 -0.04 3.06 3.10 3kfbG1 TYR 297 HB3 -0.02 0.03 -0.01 -0.04 2.98 2.95 3kfbG1 TYR 297 HD2 0.03 -0.02 -0.16 -0.04 7.15 6.96 3kfbG1 TYR 297 HE2 0.08 -0.04 -0.07 -0.04 6.85 6.78 3kfbG1 LEU 298 H 0.06 0.45 -0.18 -0.55 8.37 8.16 3kfbG1 LEU 298 HA 0.01 0.06 0.52 -0.75 4.35 4.19 3kfbG1 LEU 298 HB2 0.00 0.05 0.18 -0.04 1.64 1.83 3kfbG1 LEU 298 HB3 -0.01 0.14 -0.02 -0.04 1.64 1.71 3kfbG1 LEU 298 HG 0.04 -0.03 0.05 -0.04 1.64 1.66 3kfbG1 LEU 298 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.76 3kfbG1 LEU 298 HD23 -0.00 0.00 -0.06 -0.04 0.89 0.79 3kfbG1 ALA 299 H -0.06 0.42 -0.26 -0.55 8.40 7.96 3kfbG1 ALA 299 HA -0.04 0.08 0.33 -0.75 4.34 3.95 3kfbG1 ALA 299 HB3 -0.06 0.00 -0.01 -0.04 1.41 1.30 3kfbG1 LYS 300 H -0.14 0.23 -0.45 -0.55 8.42 7.52 3kfbG1 LYS 300 HA -0.09 0.06 0.46 -0.75 4.32 4.00 3kfbG1 LYS 300 HB2 -0.33 0.08 0.13 -0.04 1.87 1.71 3kfbG1 LYS 300 HB3 -0.06 0.09 0.10 -0.04 1.79 1.87 3kfbG1 LYS 300 HG2 -0.02 0.03 -0.02 -0.04 1.46 1.41 3kfbG1 LYS 300 HG3 -0.06 -0.03 0.05 -0.04 1.46 1.38 3kfbG1 LYS 300 HD2 -0.01 -0.05 -0.02 -0.04 1.69 1.58 3kfbG1 LYS 300 HD3 0.07 -0.00 -0.02 -0.04 1.68 1.68 3kfbG1 LYS 300 HE2 0.03 0.03 -0.02 -0.04 2.99 2.98 3kfbG1 LYS 300 HE3 0.03 -0.01 -0.00 -0.04 2.99 2.97 3kfbG1 GLU 301 H -0.03 0.30 -0.25 -0.55 8.60 8.08 3kfbG1 GLU 301 HA -0.01 0.10 0.69 -0.75 4.29 4.31 3kfbG1 GLU 301 HB2 -0.01 0.03 0.12 -0.04 2.09 2.19 3kfbG1 GLU 301 HB3 -0.01 -0.01 0.10 -0.04 1.99 2.03 3kfbG1 GLU 301 HG2 0.01 0.13 0.04 -0.04 2.34 2.48 3kfbG1 GLU 301 HG3 0.01 -0.08 -0.05 -0.04 2.34 2.18 3kfbG1 GLY 302 H -0.03 0.19 -0.39 -0.55 8.43 7.66 3kfbG1 GLY 302 HA2 -0.02 0.05 0.26 -0.51 4.01 3.79 3kfbG1 GLY 302 HA3 -0.02 0.11 0.65 -0.51 4.01 4.25 3kfbG1 ILE 303 H -0.02 0.37 -0.01 -0.55 8.25 8.04 3kfbG1 ILE 303 HA -0.03 0.26 0.58 -0.75 4.18 4.24 3kfbG1 ILE 303 HB -0.02 -0.10 0.06 -0.04 1.89 1.79 3kfbG1 ILE 303 HG12 -0.01 0.16 -0.08 -0.04 1.49 1.51 3kfbG1 ILE 303 HG13 -0.01 -0.04 -0.25 -0.04 1.21 0.87 3kfbG1 ILE 303 HG23 -0.03 -0.04 -0.43 -0.04 0.93 0.39 3kfbG1 ILE 303 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.74 3kfbG1 VAL 304 H -0.05 0.59 0.25 -0.55 8.24 8.48 3kfbG1 VAL 304 HA -0.06 0.03 0.49 -0.75 4.13 3.83 3kfbG1 VAL 304 HB -0.09 -0.10 0.18 -0.04 2.12 2.07 3kfbG1 VAL 304 HG13 -0.08 -0.01 -0.16 -0.04 0.97 0.68 3kfbG1 VAL 304 HG23 -0.03 0.06 0.01 -0.04 0.95 0.95 3kfbG1 ALA 305 H -0.08 0.14 0.26 -0.55 8.40 8.17 3kfbG1 ALA 305 HA -0.22 0.41 1.07 -0.75 4.34 4.85 3kfbG1 ALA 305 HB3 -0.06 -0.02 -0.09 -0.04 1.41 1.20 3kfbG1 ALA 306 H -0.17 0.44 0.29 -0.55 8.40 8.41 3kfbG1 ALA 306 HA -0.04 0.09 0.91 -0.75 4.34 4.54 3kfbG1 ALA 306 HB3 -0.03 0.01 -0.08 -0.04 1.41 1.28 3kfbG1 ARG 307 H 0.01 0.17 0.13 -0.55 8.46 8.22 3kfbG1 ARG 307 HA 0.03 0.22 0.76 -0.75 4.34 4.60 3kfbG1 ARG 307 HB2 0.02 -0.04 0.08 -0.04 1.90 1.92 3kfbG1 ARG 307 HB3 0.01 -0.06 0.00 -0.04 1.80 1.71 3kfbG1 ARG 307 HG2 0.01 -0.01 0.09 -0.04 1.67 1.71 3kfbG1 ARG 307 HG3 0.02 0.07 -0.04 -0.04 1.67 1.68 3kfbG1 ARG 307 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 3kfbG1 ARG 307 HD3 0.01 -0.07 0.07 -0.04 3.22 3.18 3kfbG1 ARG 308 H 0.03 0.54 -0.03 -0.55 8.46 8.44 3kfbG1 ARG 308 HA 0.03 0.35 0.20 -0.75 4.34 4.16 3kfbG1 ARG 308 HB2 0.02 0.05 -0.09 -0.04 1.90 1.84 3kfbG1 ARG 308 HB3 0.02 -0.03 0.11 -0.04 1.80 1.85 3kfbG1 ARG 308 HG2 0.02 0.02 -0.15 -0.04 1.67 1.51 3kfbG1 ARG 308 HG3 0.02 -0.12 -0.22 -0.04 1.67 1.30 3kfbG1 ARG 308 HD2 0.01 0.00 -0.06 -0.04 3.22 3.14 3kfbG1 ARG 308 HD3 0.01 0.02 -0.03 -0.04 3.22 3.19 3kfbG1 VAL 309 H 0.06 0.49 0.09 -0.55 8.24 8.32 3kfbG1 VAL 309 HA 0.05 0.07 0.64 -0.75 4.13 4.13 3kfbG1 VAL 309 HB 0.08 0.00 -0.22 -0.04 2.12 1.95 3kfbG1 VAL 309 HG13 -0.01 -0.00 -0.24 -0.04 0.97 0.68 3kfbG1 VAL 309 HG23 0.24 0.03 -0.25 -0.04 0.95 0.93 3kfbG1 LYS 310 H 0.01 0.11 0.10 -0.55 8.42 8.08 3kfbG1 LYS 310 HA 0.00 0.13 0.33 -0.75 4.32 4.03 3kfbG1 LYS 310 HB2 -0.02 -0.04 0.15 -0.04 1.87 1.93 3kfbG1 LYS 310 HB3 -0.01 -0.14 0.08 -0.04 1.79 1.68 3kfbG1 LYS 310 HG2 0.00 0.12 0.09 -0.04 1.46 1.63 3kfbG1 LYS 310 HG3 -0.01 0.04 0.07 -0.04 1.46 1.52 3kfbG1 LYS 310 HD2 -0.00 -0.06 0.06 -0.04 1.69 1.65 3kfbG1 LYS 310 HD3 0.00 0.03 0.05 -0.04 1.68 1.72 3kfbG1 LYS 310 HE2 -0.00 0.01 0.04 -0.04 2.99 2.99 3kfbG1 LYS 310 HE3 -0.00 0.00 0.03 -0.04 2.99 2.98 3kfbG1 LYS 311 H -0.00 0.20 0.19 -0.55 8.42 8.25 3kfbG1 LYS 311 HA -0.00 0.13 0.41 -0.75 4.32 4.10 3kfbG1 LYS 311 HB2 0.00 0.06 0.14 -0.04 1.87 2.03 3kfbG1 LYS 311 HB3 -0.00 -0.01 0.08 -0.04 1.79 1.82 3kfbG1 LYS 311 HG2 -0.01 -0.00 -0.08 -0.04 1.46 1.33 3kfbG1 LYS 311 HG3 -0.00 0.01 0.06 -0.04 1.46 1.49 3kfbG1 LYS 311 HD2 0.00 0.01 0.01 -0.04 1.69 1.67 3kfbG1 LYS 311 HD3 -0.00 0.00 -0.02 -0.04 1.68 1.62 3kfbG1 LYS 311 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.93 3kfbG1 LYS 311 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 3kfbG1 SER 312 H -0.02 0.05 -0.26 -0.55 8.46 7.69 3kfbG1 SER 312 HA -0.02 0.17 0.49 -0.75 4.49 4.38 3kfbG1 SER 312 HB2 -0.02 0.09 0.01 -0.04 3.95 3.99 3kfbG1 SER 312 HB3 -0.02 0.04 0.04 -0.04 3.93 3.96 3kfbG1 ASP 313 H -0.03 0.09 -0.27 -0.55 8.40 7.64 3kfbG1 ASP 313 HA -0.07 0.12 0.50 -0.75 4.63 4.42 3kfbG1 ASP 313 HB2 -0.05 0.04 0.05 -0.04 2.71 2.71 3kfbG1 ASP 313 HB3 -0.11 0.02 -0.09 -0.04 2.70 2.47 3kfbG1 MET 314 H -0.04 0.43 -0.30 -0.55 8.47 8.01 3kfbG1 MET 314 HA -0.08 0.06 0.40 -0.75 4.52 4.14 3kfbG1 MET 314 HB2 -0.01 0.11 0.00 -0.04 2.15 2.21 3kfbG1 MET 314 HB3 -0.01 -0.04 -0.11 -0.04 2.03 1.83 3kfbG1 MET 314 HG2 -0.01 0.15 -0.24 -0.04 2.63 2.49 3kfbG1 MET 314 HG3 0.01 -0.02 -0.14 -0.04 2.56 2.37 3kfbG1 MET 314 HE3 0.04 -0.01 -0.17 -0.04 2.10 1.92 3kfbG1 GLU 315 H -0.03 0.29 -0.36 -0.55 8.60 7.95 3kfbG1 GLU 315 HA -0.02 0.06 0.41 -0.75 4.29 3.98 3kfbG1 GLU 315 HB2 -0.03 0.11 0.09 -0.04 2.09 2.22 3kfbG1 GLU 315 HB3 -0.02 0.02 0.01 -0.04 1.99 1.96 3kfbG1 GLU 315 HG2 -0.01 -0.02 0.00 -0.04 2.34 2.26 3kfbG1 GLU 315 HG3 -0.02 0.10 0.06 -0.04 2.34 2.45 3kfbG1 LYS 316 H -0.06 0.22 -0.37 -0.55 8.42 7.66 3kfbG1 LYS 316 HA -0.05 0.14 0.51 -0.75 4.32 4.16 3kfbG1 LYS 316 HB2 -0.09 0.07 0.12 -0.04 1.87 1.93 3kfbG1 LYS 316 HB3 -0.08 -0.01 -0.08 -0.04 1.79 1.58 3kfbG1 LYS 316 HG2 -0.05 0.16 0.07 -0.04 1.46 1.60 3kfbG1 LYS 316 HG3 -0.06 -0.11 -0.02 -0.04 1.46 1.23 3kfbG1 LYS 316 HD2 -0.05 -0.04 -0.02 -0.04 1.69 1.53 3kfbG1 LYS 316 HD3 -0.04 0.04 0.03 -0.04 1.68 1.66 3kfbG1 LYS 316 HE2 -0.03 -0.02 -0.02 -0.04 2.99 2.88 3kfbG1 LYS 316 HE3 -0.04 -0.11 -0.04 -0.04 2.99 2.77 3kfbG1 LEU 317 H -0.11 0.52 -0.17 -0.55 8.37 8.06 3kfbG1 LEU 317 HA -0.11 0.03 0.34 -0.75 4.35 3.85 3kfbG1 LEU 317 HB2 -0.16 0.11 0.07 -0.04 1.64 1.61 3kfbG1 LEU 317 HB3 -0.16 -0.03 -0.13 -0.04 1.64 1.28 3kfbG1 LEU 317 HG -0.29 0.03 -0.03 -0.04 1.64 1.31 3kfbG1 LEU 317 HD13 -0.77 -0.02 -0.17 -0.04 0.93 -0.07 3kfbG1 LEU 317 HD23 -0.38 -0.01 -0.10 -0.04 0.89 0.36 3kfbG1 ALA 318 H -0.05 0.42 -0.39 -0.55 8.40 7.83 3kfbG1 ALA 318 HA -0.01 -0.07 0.27 -0.75 4.34 3.78 3kfbG1 ALA 318 HB3 -0.01 0.05 -0.02 -0.04 1.41 1.39 3kfbG1 LYS 319 H -0.03 0.30 -0.43 -0.55 8.42 7.71 3kfbG1 LYS 319 HA -0.01 0.15 0.49 -0.75 4.32 4.20 3kfbG1 LYS 319 HB2 -0.03 0.07 0.04 -0.04 1.87 1.91 3kfbG1 LYS 319 HB3 -0.02 -0.01 -0.04 -0.04 1.79 1.68 3kfbG1 LYS 319 HG2 -0.01 -0.03 -0.05 -0.04 1.46 1.34 3kfbG1 LYS 319 HG3 -0.02 0.20 0.06 -0.04 1.46 1.66 3kfbG1 LYS 319 HD2 -0.01 -0.08 -0.02 -0.04 1.69 1.53 3kfbG1 LYS 319 HD3 -0.02 0.01 -0.04 -0.04 1.68 1.59 3kfbG1 LYS 319 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.92 3kfbG1 LYS 319 HE3 -0.01 0.04 -0.03 -0.04 2.99 2.95 3kfbG1 ALA 320 H -0.03 0.22 -0.35 -0.55 8.40 7.69 3kfbG1 ALA 320 HA -0.03 -0.08 0.60 -0.75 4.34 4.07 3kfbG1 ALA 320 HB3 -0.04 -0.01 -0.02 -0.04 1.41 1.29 3kfbG1 THR 321 H -0.01 0.42 0.02 -0.55 8.28 8.16 3kfbG1 THR 321 HA 0.02 0.18 0.50 -0.75 4.39 4.33 3kfbG1 THR 321 HB 0.03 -0.13 -0.19 -0.04 4.32 3.99 3kfbG1 THR 321 HG23 0.01 -0.01 -0.15 -0.04 1.22 1.02 3kfbG1 GLY 322 H 0.01 0.12 -0.18 -0.55 8.43 7.82 3kfbG1 GLY 322 HA2 0.02 0.12 0.28 -0.51 4.01 3.92 3kfbG1 GLY 322 HA3 0.03 0.13 0.75 -0.51 4.01 4.41 3kfbG1 ALA 323 H 0.01 0.11 0.14 -0.55 8.40 8.12 3kfbG1 ALA 323 HA 0.02 0.31 0.47 -0.75 4.34 4.39 3kfbG1 ALA 323 HB3 0.03 -0.05 0.01 -0.04 1.41 1.36 3kfbG1 ASN 324 H 0.02 0.50 0.25 -0.55 8.53 8.75 3kfbG1 ASN 324 HA 0.01 0.15 0.84 -0.75 4.76 5.01 3kfbG1 ASN 324 HB2 0.01 -0.00 0.11 -0.04 2.88 2.96 3kfbG1 ASN 324 HB3 0.01 -0.04 -0.03 -0.04 2.79 2.68 3kfbG1 ASN 324 HD21 0.01 0.05 -0.11 -0.04 7.03 6.94 3kfbG1 ASN 324 HD22 0.01 -0.07 -0.06 -0.04 7.74 7.58 3kfbG1 VAL 325 H 0.01 0.18 0.06 -0.55 8.24 7.94 3kfbG1 VAL 325 HA 0.02 0.15 0.58 -0.75 4.13 4.13 3kfbG1 VAL 325 HB 0.01 -0.00 0.12 -0.04 2.12 2.21 3kfbG1 VAL 325 HG13 0.01 -0.02 -0.21 -0.04 0.97 0.71 3kfbG1 VAL 325 HG23 0.00 0.02 -0.10 -0.04 0.95 0.83 3kfbG1 ILE 326 H 0.02 0.65 0.36 -0.55 8.25 8.74 3kfbG1 ILE 326 HA 0.01 0.15 0.73 -0.75 4.18 4.31 3kfbG1 ILE 326 HB 0.02 0.01 0.14 -0.04 1.89 2.02 3kfbG1 ILE 326 HG12 0.02 0.33 0.04 -0.04 1.49 1.84 3kfbG1 ILE 326 HG13 0.02 -0.00 0.04 -0.04 1.21 1.22 3kfbG1 ILE 326 HG23 0.01 -0.10 -0.17 -0.04 0.93 0.63 3kfbG1 ILE 326 HD13 0.01 0.01 -0.17 -0.04 0.88 0.69 3kfbG1 THR 327 H 0.01 0.25 0.15 -0.55 8.28 8.15 3kfbG1 THR 327 HA 0.01 0.01 0.65 -0.75 4.39 4.31 3kfbG1 THR 327 HB 0.01 0.04 0.00 -0.04 4.32 4.33 3kfbG1 THR 327 HG23 0.01 0.00 -0.02 -0.04 1.22 1.17 3kfbG1 ASN 328 H 0.01 0.18 -0.23 -0.55 8.53 7.94 3kfbG1 ASN 328 HA 0.01 0.19 0.91 -0.75 4.76 5.12 3kfbG1 ASN 328 HB2 0.01 0.07 -0.11 -0.04 2.88 2.81 3kfbG1 ASN 328 HB3 0.01 0.01 0.10 -0.04 2.79 2.87 3kfbG1 ASN 328 HD21 0.01 0.07 -0.05 -0.04 7.03 7.01 3kfbG1 ASN 328 HD22 0.01 0.05 -0.04 -0.04 7.74 7.72 3kfbG1 ILE 329 H 0.01 0.22 0.04 -0.55 8.25 7.97 3kfbG1 ILE 329 HA 0.01 0.13 0.24 -0.75 4.18 3.81 3kfbG1 ILE 329 HB 0.01 -0.02 -0.00 -0.04 1.89 1.84 3kfbG1 ILE 329 HG12 0.01 0.07 -0.03 -0.04 1.49 1.49 3kfbG1 ILE 329 HG13 0.01 0.02 0.01 -0.04 1.21 1.21 3kfbG1 ILE 329 HG23 0.01 0.01 -0.09 -0.04 0.93 0.81 3kfbG1 ILE 329 HD13 0.01 0.01 -0.08 -0.04 0.88 0.78 3kfbG1 LYS 330 H 0.01 -0.01 -0.36 -0.55 8.42 7.50 3kfbG1 LYS 330 HA 0.00 0.17 0.45 -0.75 4.32 4.19 3kfbG1 LYS 330 HB2 0.00 -0.03 -0.03 -0.04 1.87 1.77 3kfbG1 LYS 330 HB3 0.00 0.07 0.02 -0.04 1.79 1.84 3kfbG1 LYS 330 HG2 0.00 -0.11 -0.02 -0.04 1.46 1.29 3kfbG1 LYS 330 HG3 0.00 0.01 -0.00 -0.04 1.46 1.42 3kfbG1 LYS 330 HD2 -0.00 0.07 -0.02 -0.04 1.69 1.70 3kfbG1 LYS 330 HD3 0.00 -0.01 -0.03 -0.04 1.68 1.59 3kfbG1 LYS 330 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 3kfbG1 LYS 330 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.96 3kfbG1 ASP 331 H 0.01 0.26 -0.36 -0.55 8.40 7.76 3kfbG1 ASP 331 HA 0.00 0.20 0.58 -0.75 4.63 4.66 3kfbG1 ASP 331 HB2 0.01 -0.10 -0.02 -0.04 2.71 2.56 3kfbG1 ASP 331 HB3 0.01 -0.01 0.05 -0.04 2.70 2.71 3kfbG1 LEU 332 H 0.01 0.23 -0.56 -0.55 8.37 7.50 3kfbG1 LEU 332 HA 0.01 -0.02 0.56 -0.75 4.35 4.14 3kfbG1 LEU 332 HB2 0.01 -0.11 0.06 -0.04 1.64 1.55 3kfbG1 LEU 332 HB3 0.01 0.13 0.12 -0.04 1.64 1.86 3kfbG1 LEU 332 HG 0.01 0.17 -0.21 -0.04 1.64 1.57 3kfbG1 LEU 332 HD13 0.02 -0.04 -0.02 -0.04 0.93 0.85 3kfbG1 LEU 332 HD23 0.01 -0.00 -0.02 -0.04 0.89 0.84 3kfbG1 SER 333 H 0.01 0.13 0.23 -0.55 8.46 8.28 3kfbG1 SER 333 HA 0.00 0.17 0.48 -0.75 4.49 4.40 3kfbG1 SER 333 HB2 0.01 0.11 0.09 -0.04 3.95 4.11 3kfbG1 SER 333 HB3 0.01 -0.06 0.10 -0.04 3.93 3.93 3kfbG1 ALA 334 H 0.00 0.15 0.18 -0.55 8.40 8.19 3kfbG1 ALA 334 HA 0.01 0.19 0.67 -0.75 4.34 4.46 3kfbG1 ALA 334 HB3 0.00 0.04 0.18 -0.04 1.41 1.59 3kfbG1 GLN 335 H 0.01 -0.03 -0.18 -0.55 8.47 7.73 3kfbG1 GLN 335 HA 0.01 0.26 0.66 -0.75 4.36 4.53 3kfbG1 GLN 335 HB2 0.01 -0.06 0.03 -0.04 2.15 2.08 3kfbG1 GLN 335 HB3 0.01 0.06 0.12 -0.04 2.02 2.17 3kfbG1 GLN 335 HG2 0.00 0.02 0.02 -0.04 2.40 2.40 3kfbG1 GLN 335 HG3 0.00 0.08 -0.04 -0.04 2.39 2.40 3kfbG1 GLN 335 HE21 0.00 -0.01 0.02 -0.04 6.97 6.95 3kfbG1 GLN 335 HE22 0.00 0.09 -0.04 -0.04 7.69 7.70 3kfbG1 ASP 336 H 0.01 0.16 -0.45 -0.55 8.40 7.58 3kfbG1 ASP 336 HA 0.01 0.20 0.66 -0.75 4.63 4.75 3kfbG1 ASP 336 HB2 0.01 0.11 0.06 -0.04 2.71 2.86 3kfbG1 ASP 336 HB3 0.01 -0.05 0.21 -0.04 2.70 2.83 3kfbG1 LEU 337 H 0.02 0.19 -0.53 -0.55 8.37 7.50 3kfbG1 LEU 337 HA 0.03 0.10 0.80 -0.75 4.35 4.53 3kfbG1 LEU 337 HB2 0.02 0.08 -0.07 -0.04 1.64 1.62 3kfbG1 LEU 337 HB3 0.03 -0.06 -0.23 -0.04 1.64 1.34 3kfbG1 LEU 337 HG 0.01 0.01 -0.13 -0.04 1.64 1.49 3kfbG1 LEU 337 HD13 0.01 -0.01 -0.29 -0.04 0.93 0.60 3kfbG1 LEU 337 HD23 0.02 -0.04 -0.25 -0.04 0.89 0.58 3kfbG1 GLY 338 H 0.04 0.59 0.26 -0.55 8.43 8.77 3kfbG1 GLY 338 HA2 0.03 0.42 0.20 -0.51 4.01 4.15 3kfbG1 GLY 338 HA3 0.03 -0.18 -0.09 -0.51 4.01 3.26 3kfbG1 ASP 339 H 0.03 0.68 0.14 -0.55 8.40 8.69 3kfbG1 ASP 339 HA 0.03 0.24 1.02 -0.75 4.63 5.16 3kfbG1 ASP 339 HB2 0.02 0.05 -0.20 -0.04 2.71 2.54 3kfbG1 ASP 339 HB3 0.03 -0.04 0.13 -0.04 2.70 2.77 3kfbG1 ALA 340 H 0.04 0.53 0.17 -0.55 8.40 8.59 3kfbG1 ALA 340 HA 0.03 0.13 0.82 -0.75 4.34 4.57 3kfbG1 ALA 340 HB3 0.05 0.02 -0.15 -0.04 1.41 1.28 3kfbG1 GLY 341 H 0.03 0.48 0.06 -0.55 8.43 8.46 3kfbG1 GLY 341 HA2 0.02 -0.03 0.47 -0.51 4.01 3.96 3kfbG1 GLY 341 HA3 0.03 0.14 0.46 -0.51 4.01 4.12 3kfbG1 LEU 342 H 0.04 0.46 -0.06 -0.55 8.37 8.26 3kfbG1 LEU 342 HA 0.03 0.24 0.77 -0.75 4.35 4.64 3kfbG1 LEU 342 HB2 0.03 -0.03 -0.29 -0.04 1.64 1.31 3kfbG1 LEU 342 HB3 0.05 -0.10 -0.06 -0.04 1.64 1.49 3kfbG1 LEU 342 HG 0.02 0.08 0.07 -0.04 1.64 1.77 3kfbG1 LEU 342 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.81 3kfbG1 LEU 342 HD23 0.02 -0.00 -0.18 -0.04 0.89 0.69 3kfbG1 VAL 343 H 0.05 0.64 0.23 -0.55 8.24 8.61 3kfbG1 VAL 343 HA 0.11 0.30 0.90 -0.75 4.13 4.69 3kfbG1 VAL 343 HB 0.06 -0.02 0.08 -0.04 2.12 2.20 3kfbG1 VAL 343 HG13 0.12 -0.01 -0.24 -0.04 0.97 0.80 3kfbG1 VAL 343 HG23 0.10 -0.01 -0.22 -0.04 0.95 0.78 3kfbG1 GLU 344 H 0.13 0.57 0.22 -0.55 8.60 8.99 3kfbG1 GLU 344 HA 0.03 0.24 0.87 -0.75 4.29 4.68 3kfbG1 GLU 344 HB2 0.01 -0.02 -0.17 -0.04 2.09 1.87 3kfbG1 GLU 344 HB3 0.00 -0.06 0.01 -0.04 1.99 1.90 3kfbG1 GLU 344 HG2 -0.05 -0.04 -0.36 -0.04 2.34 1.84 3kfbG1 GLU 344 HG3 -0.02 0.21 0.15 -0.04 2.34 2.65 3kfbG1 GLU 345 H 0.02 0.58 0.25 -0.55 8.60 8.91 3kfbG1 GLU 345 HA 0.11 0.26 1.18 -0.75 4.29 5.09 3kfbG1 GLU 345 HB2 0.05 -0.06 0.04 -0.04 2.09 2.08 3kfbG1 GLU 345 HB3 0.02 0.01 0.24 -0.04 1.99 2.22 3kfbG1 GLU 345 HG2 0.04 -0.00 -0.23 -0.04 2.34 2.10 3kfbG1 GLU 345 HG3 0.07 0.10 -0.15 -0.04 2.34 2.31 3kfbG1 ARG 346 H 0.09 0.31 0.21 -0.55 8.46 8.52 3kfbG1 ARG 346 HA -0.07 0.19 0.84 -0.75 4.34 4.55 3kfbG1 ARG 346 HB2 -0.43 -0.03 -0.02 -0.04 1.90 1.38 3kfbG1 ARG 346 HB3 -0.25 -0.03 -0.03 -0.04 1.80 1.44 3kfbG1 ARG 346 HG2 -0.26 0.04 -0.12 -0.04 1.67 1.30 3kfbG1 ARG 346 HG3 -0.36 -0.00 -0.19 -0.04 1.67 1.07 3kfbG1 ARG 346 HD2 -2.16 -0.02 -0.08 -0.04 3.22 0.92 3kfbG1 ARG 346 HD3 -0.61 -0.01 -0.09 -0.04 3.22 2.48 3kfbG1 LYS 347 H -0.04 0.17 0.03 -0.55 8.42 8.03 3kfbG1 LYS 347 HA 0.04 0.27 0.76 -0.75 4.32 4.64 3kfbG1 LYS 347 HB2 -0.00 -0.04 0.13 -0.04 1.87 1.91 3kfbG1 LYS 347 HB3 0.01 -0.03 -0.06 -0.04 1.79 1.68 3kfbG1 LYS 347 HG2 0.02 0.04 -0.15 -0.04 1.46 1.33 3kfbG1 LYS 347 HG3 0.01 -0.00 -0.15 -0.04 1.46 1.27 3kfbG1 LYS 347 HD2 0.00 -0.05 -0.02 -0.04 1.69 1.59 3kfbG1 LYS 347 HD3 0.01 0.08 -0.04 -0.04 1.68 1.69 3kfbG1 LYS 347 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 3kfbG1 LYS 347 HE3 0.01 0.00 -0.04 -0.04 2.99 2.92 3kfbG1 ILE 348 H 0.12 0.28 -0.14 -0.55 8.25 7.96 3kfbG1 ILE 348 HA 0.04 0.10 0.89 -0.75 4.18 4.45 3kfbG1 ILE 348 HB 0.19 -0.02 -0.08 -0.04 1.89 1.94 3kfbG1 ILE 348 HG12 0.18 0.02 -0.13 -0.04 1.49 1.52 3kfbG1 ILE 348 HG13 0.08 -0.03 -0.18 -0.04 1.21 1.03 3kfbG1 ILE 348 HG23 0.21 0.01 -0.12 -0.04 0.93 0.99 3kfbG1 ILE 348 HD13 0.02 0.01 -0.04 -0.04 0.88 0.83 3kfbG1 SER 349 H 0.03 0.15 0.06 -0.55 8.46 8.15 3kfbG1 SER 349 HA 0.02 -0.00 0.28 -0.75 4.49 4.03 3kfbG1 SER 349 HB2 0.03 -0.01 -0.13 -0.04 3.95 3.80 3kfbG1 SER 349 HB3 0.03 0.23 0.05 -0.04 3.93 4.20 3kfbG1 GLY 350 H 0.02 0.13 -0.28 -0.55 8.43 7.76 3kfbG1 GLY 350 HA2 0.01 -0.00 0.27 -0.51 4.01 3.79 3kfbG1 GLY 350 HA3 0.01 0.09 0.47 -0.51 4.01 4.08 3kfbG1 ASP 351 H 0.03 0.42 -0.37 -0.55 8.40 7.93 3kfbG1 ASP 351 HA 0.02 0.03 0.41 -0.75 4.63 4.34 3kfbG1 ASP 351 HB2 0.03 0.05 -0.02 -0.04 2.71 2.73 3kfbG1 ASP 351 HB3 0.03 0.03 -0.06 -0.04 2.70 2.66 3kfbG1 SER 352 H 0.03 0.12 0.12 -0.55 8.46 8.19 3kfbG1 SER 352 HA 0.07 0.22 1.06 -0.75 4.49 5.09 3kfbG1 SER 352 HB2 0.04 0.08 -0.06 -0.04 3.95 3.97 3kfbG1 SER 352 HB3 0.03 -0.03 -0.02 -0.04 3.93 3.87 3kfbG1 MET 353 H 0.16 0.45 0.30 -0.55 8.47 8.84 3kfbG1 MET 353 HA 0.08 0.31 0.94 -0.75 4.52 5.09 3kfbG1 MET 353 HB2 0.15 -0.08 -0.11 -0.04 2.15 2.07 3kfbG1 MET 353 HB3 0.00 0.04 -0.08 -0.04 2.03 1.96 3kfbG1 MET 353 HG2 0.02 0.00 -0.09 -0.04 2.63 2.52 3kfbG1 MET 353 HG3 0.05 -0.04 -0.63 -0.04 2.56 1.90 3kfbG1 MET 353 HE3 0.03 0.00 -0.17 -0.04 2.10 1.92 3kfbG1 ILE 354 H 0.10 0.46 0.32 -0.55 8.25 8.57 3kfbG1 ILE 354 HA 0.20 0.23 0.98 -0.75 4.18 4.83 3kfbG1 ILE 354 HB 0.21 -0.09 0.14 -0.04 1.89 2.11 3kfbG1 ILE 354 HG12 0.10 -0.00 -0.20 -0.04 1.49 1.35 3kfbG1 ILE 354 HG13 0.11 0.27 -0.14 -0.04 1.21 1.41 3kfbG1 ILE 354 HG23 0.28 -0.02 -0.34 -0.04 0.93 0.82 3kfbG1 ILE 354 HD13 0.10 -0.03 -0.37 -0.04 0.88 0.55 3kfbG1 PHE 355 H 0.41 0.83 0.37 -0.55 8.34 9.39 3kfbG1 PHE 355 HA 0.02 0.11 0.80 -0.75 4.62 4.81 3kfbG1 PHE 355 HB2 0.02 0.05 0.22 -0.04 3.15 3.40 3kfbG1 PHE 355 HB3 0.02 -0.01 -0.05 -0.04 3.06 2.98 3kfbG1 PHE 355 HD2 0.02 0.04 -0.15 -0.04 7.28 7.14 3kfbG1 PHE 355 HE2 0.01 -0.00 -0.13 -0.04 7.38 7.22 3kfbG1 PHE 355 HZ 0.00 -0.02 -0.13 -0.04 7.32 7.14 3kfbG1 VAL 356 H 0.02 0.48 0.19 -0.55 8.24 8.39 3kfbG1 VAL 356 HA 0.11 0.24 1.02 -0.75 4.13 4.74 3kfbG1 VAL 356 HB -0.03 -0.06 0.23 -0.04 2.12 2.22 3kfbG1 VAL 356 HG13 0.04 0.01 -0.10 -0.04 0.97 0.87 3kfbG1 VAL 356 HG23 0.14 -0.00 -0.16 -0.04 0.95 0.88 3kfbG1 GLU 357 H 0.09 0.67 0.14 -0.55 8.60 8.96 3kfbG1 GLU 357 HA 0.04 0.25 0.83 -0.75 4.29 4.65 3kfbG1 GLU 357 HB2 0.07 -0.15 0.05 -0.04 2.09 2.02 3kfbG1 GLU 357 HB3 0.11 -0.02 -0.27 -0.04 1.99 1.77 3kfbG1 GLU 357 HG2 0.14 0.08 -0.16 -0.04 2.34 2.36 3kfbG1 GLU 357 HG3 0.08 0.03 -0.20 -0.04 2.34 2.20 3kfbG1 GLU 358 H 0.04 0.04 0.13 -0.55 8.60 8.26 3kfbG1 GLU 358 HA 0.02 0.06 0.43 -0.75 4.29 4.05 3kfbG1 GLU 358 HB2 0.03 0.03 0.00 -0.04 2.09 2.12 3kfbG1 GLU 358 HB3 0.02 0.04 0.26 -0.04 1.99 2.27 3kfbG1 GLU 358 HG2 0.02 0.05 0.06 -0.04 2.34 2.43 3kfbG1 GLU 358 HG3 0.04 -0.09 -0.10 -0.04 2.34 2.15 3kfbG1 CYS 359 H 0.02 0.43 0.14 -0.55 8.50 8.54 3kfbG1 CYS 359 HA 0.03 0.01 0.70 -0.75 4.58 4.56 3kfbG1 CYS 359 HB2 0.00 0.03 -0.03 -0.04 2.97 2.93 3kfbG1 CYS 359 HB3 0.02 0.10 0.08 -0.04 2.97 3.12 3kfbG1 LYS 360 H 0.04 0.23 0.20 -0.55 8.42 8.33 3kfbG1 LYS 360 HA 0.04 0.06 0.47 -0.75 4.32 4.14 3kfbG1 LYS 360 HB2 0.06 0.01 0.23 -0.04 1.87 2.13 3kfbG1 LYS 360 HB3 0.05 -0.01 0.07 -0.04 1.79 1.86 3kfbG1 LYS 360 HG2 0.03 -0.02 0.06 -0.04 1.46 1.49 3kfbG1 LYS 360 HG3 0.03 0.02 0.04 -0.04 1.46 1.51 3kfbG1 LYS 360 HD2 0.03 0.02 -0.01 -0.04 1.69 1.69 3kfbG1 LYS 360 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 3kfbG1 LYS 360 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 3kfbG1 LYS 360 HE3 0.03 0.02 0.02 -0.04 2.99 3.01 3kfbG1 HIS 361 H 0.11 0.14 0.03 -0.55 8.41 8.14 3kfbG1 HIS 361 HA 0.00 0.24 0.93 -0.75 4.63 5.05 3kfbG1 HIS 361 HB2 0.00 -0.08 -0.05 -0.04 3.26 3.09 3kfbG1 HIS 361 HB3 0.00 -0.00 0.19 -0.04 3.20 3.34 3kfbG1 HIS 361 HD2 -0.00 -0.02 -0.03 -0.04 6.97 6.87 3kfbG1 HIS 361 HE1 0.00 -0.05 0.01 -0.04 7.75 7.67 3kfbG1 PRO 362 HA -0.04 0.21 0.59 -0.51 4.44 4.69 3kfbG1 PRO 362 HB2 -0.07 0.02 -0.08 -0.04 2.28 2.12 3kfbG1 PRO 362 HB3 -0.04 0.01 0.06 -0.04 2.02 2.02 3kfbG1 PRO 362 HG2 -0.04 -0.05 0.01 -0.04 2.03 1.90 3kfbG1 PRO 362 HG3 -0.02 -0.02 -0.18 -0.04 2.03 1.77 3kfbG1 PRO 362 HD2 -0.15 0.08 0.15 -0.04 3.68 3.73 3kfbG1 PRO 362 HD3 -0.03 0.39 -0.29 -0.04 3.65 3.67 3kfbG1 LYS 363 H -0.04 0.49 0.29 -0.55 8.42 8.60 3kfbG1 LYS 363 HA -0.08 0.33 0.84 -0.75 4.32 4.66 3kfbG1 LYS 363 HB2 -0.02 0.05 0.14 -0.04 1.87 2.00 3kfbG1 LYS 363 HB3 -0.02 -0.09 0.13 -0.04 1.79 1.76 3kfbG1 LYS 363 HG2 -0.02 0.08 -0.11 -0.04 1.46 1.38 3kfbG1 LYS 363 HG3 0.01 -0.11 0.02 -0.04 1.46 1.35 3kfbG1 LYS 363 HD2 -0.02 -0.08 -0.05 -0.04 1.69 1.50 3kfbG1 LYS 363 HD3 -0.09 0.29 0.06 -0.04 1.68 1.89 3kfbG1 LYS 363 HE2 0.04 0.01 -0.07 -0.04 2.99 2.93 3kfbG1 LYS 363 HE3 0.06 -0.11 0.00 -0.04 2.99 2.90 3kfbG1 ALA 364 H -0.04 0.10 -0.05 -0.55 8.40 7.87 3kfbG1 ALA 364 HA -0.04 0.25 0.76 -0.75 4.34 4.56 3kfbG1 ALA 364 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.35 3kfbG1 VAL 365 H -0.04 0.58 0.34 -0.55 8.24 8.58 3kfbG1 VAL 365 HA -0.04 0.16 1.04 -0.75 4.13 4.53 3kfbG1 VAL 365 HB -0.03 0.02 -0.10 -0.04 2.12 1.97 3kfbG1 VAL 365 HG13 -0.02 -0.02 -0.24 -0.04 0.97 0.64 3kfbG1 VAL 365 HG23 -0.04 0.01 -0.16 -0.04 0.95 0.73 3kfbG1 THR 366 H -0.04 0.51 0.37 -0.55 8.28 8.58 3kfbG1 THR 366 HA -0.04 0.28 1.11 -0.75 4.39 4.98 3kfbG1 THR 366 HB -0.06 -0.07 0.01 -0.04 4.32 4.15 3kfbG1 THR 366 HG23 -0.08 -0.02 -0.22 -0.04 1.22 0.85 3kfbG1 MET 367 H -0.03 0.85 0.30 -0.55 8.47 9.04 3kfbG1 MET 367 HA -0.01 0.14 0.92 -0.75 4.52 4.81 3kfbG1 MET 367 HB2 -0.02 0.04 0.11 -0.04 2.15 2.24 3kfbG1 MET 367 HB3 -0.01 -0.05 -0.05 -0.04 2.03 1.88 3kfbG1 MET 367 HG2 -0.02 0.02 -0.21 -0.04 2.63 2.38 3kfbG1 MET 367 HG3 -0.01 -0.01 -0.11 -0.04 2.56 2.39 3kfbG1 MET 367 HE3 -0.00 -0.02 -0.16 -0.04 2.10 1.88 3kfbG1 LEU 368 H -0.01 0.54 0.16 -0.55 8.37 8.52 3kfbG1 LEU 368 HA -0.02 0.14 0.81 -0.75 4.35 4.52 3kfbG1 LEU 368 HB2 -0.01 -0.03 -0.02 -0.04 1.64 1.55 3kfbG1 LEU 368 HB3 0.02 -0.04 0.22 -0.04 1.64 1.80 3kfbG1 LEU 368 HG 0.03 0.02 -0.25 -0.04 1.64 1.40 3kfbG1 LEU 368 HD13 -0.02 0.00 -0.15 -0.04 0.93 0.73 3kfbG1 LEU 368 HD23 0.11 -0.01 -0.08 -0.04 0.89 0.87 3kfbG1 ILE 369 H -0.01 0.69 0.31 -0.55 8.25 8.69 3kfbG1 ILE 369 HA 0.00 0.02 0.64 -0.75 4.18 4.09 3kfbG1 ILE 369 HB -0.01 0.04 0.11 -0.04 1.89 1.99 3kfbG1 ILE 369 HG12 -0.00 0.00 -0.12 -0.04 1.49 1.33 3kfbG1 ILE 369 HG13 -0.01 0.03 -0.22 -0.04 1.21 0.97 3kfbG1 ILE 369 HG23 0.00 -0.03 -0.18 -0.04 0.93 0.69 3kfbG1 ILE 369 HD13 -0.01 -0.01 -0.05 -0.04 0.88 0.77 3kfbG1 ARG 370 H 0.01 0.11 0.17 -0.55 8.46 8.20 3kfbG1 ARG 370 HA 0.01 0.49 1.03 -0.75 4.34 5.11 3kfbG1 ARG 370 HB2 0.02 -0.23 -0.26 -0.04 1.90 1.38 3kfbG1 ARG 370 HB3 0.02 0.21 0.00 -0.04 1.80 1.99 3kfbG1 ARG 370 HG2 0.02 0.04 -0.33 -0.04 1.67 1.37 3kfbG1 ARG 370 HG3 0.02 0.08 -0.35 -0.04 1.67 1.38 3kfbG1 ARG 370 HD2 0.05 -0.04 -0.11 -0.04 3.22 3.08 3kfbG1 ARG 370 HD3 0.03 0.01 -0.11 -0.04 3.22 3.11 3kfbG1 GLY 371 H 0.01 0.61 0.18 -0.55 8.43 8.68 3kfbG1 GLY 371 HA2 0.01 -0.23 0.39 -0.51 4.01 3.67 3kfbG1 GLY 371 HA3 0.01 0.06 0.25 -0.51 4.01 3.82 3kfbG1 THR 372 H 0.01 0.10 0.10 -0.55 8.28 7.94 3kfbG1 THR 372 HA 0.01 0.40 0.38 -0.75 4.39 4.43 3kfbG1 THR 372 HB 0.01 0.04 0.01 -0.04 4.32 4.34 3kfbG1 THR 372 HG23 0.01 -0.01 0.04 -0.04 1.22 1.21 3kfbG1 THR 373 H 0.02 0.02 0.06 -0.55 8.28 7.84 3kfbG1 THR 373 HA 0.01 0.32 0.92 -0.75 4.39 4.88 3kfbG1 THR 373 HB 0.05 0.03 0.16 -0.04 4.32 4.52 3kfbG1 THR 373 HG23 0.03 0.05 -0.10 -0.04 1.22 1.15 3kfbG1 GLU 374 H -0.02 0.24 0.15 -0.55 8.60 8.42 3kfbG1 GLU 374 HA -0.05 0.13 0.27 -0.75 4.29 3.89 3kfbG1 GLU 374 HB2 -0.08 0.04 0.12 -0.04 2.09 2.14 3kfbG1 GLU 374 HB3 -0.21 0.02 0.10 -0.04 1.99 1.86 3kfbG1 GLU 374 HG2 -0.12 0.05 0.02 -0.04 2.34 2.26 3kfbG1 GLU 374 HG3 -0.15 -0.02 -0.01 -0.04 2.34 2.12 3kfbG1 HIS 375 H 0.02 0.07 -0.17 -0.55 8.41 7.78 3kfbG1 HIS 375 HA 0.00 0.17 0.51 -0.75 4.63 4.56 3kfbG1 HIS 375 HB2 0.00 -0.03 0.06 -0.04 3.26 3.25 3kfbG1 HIS 375 HB3 0.00 0.06 0.04 -0.04 3.20 3.26 3kfbG1 HIS 375 HD2 0.00 -0.04 0.10 -0.04 6.97 6.99 3kfbG1 HIS 375 HE1 0.00 0.00 0.06 -0.04 7.75 7.77 3kfbG1 VAL 376 H 0.07 0.04 -0.25 -0.55 8.24 7.54 3kfbG1 VAL 376 HA 0.04 0.16 0.61 -0.75 4.13 4.20 3kfbG1 VAL 376 HB 0.03 -0.07 0.13 -0.04 2.12 2.17 3kfbG1 VAL 376 HG13 0.02 0.02 -0.11 -0.04 0.97 0.85 3kfbG1 VAL 376 HG23 0.03 0.02 0.03 -0.04 0.95 0.99 3kfbG1 ILE 377 H 0.01 0.48 -0.15 -0.55 8.25 8.03 3kfbG1 ILE 377 HA 0.01 0.04 0.24 -0.75 4.18 3.71 3kfbG1 ILE 377 HB -0.02 0.11 0.05 -0.04 1.89 1.99 3kfbG1 ILE 377 HG12 0.00 -0.02 -0.26 -0.04 1.49 1.17 3kfbG1 ILE 377 HG13 0.00 -0.12 -0.19 -0.04 1.21 0.86 3kfbG1 ILE 377 HG23 -0.01 0.01 -0.28 -0.04 0.93 0.61 3kfbG1 ILE 377 HD13 -0.01 0.02 -0.33 -0.04 0.88 0.52 3kfbG1 GLU 378 H -0.00 0.39 -0.26 -0.55 8.60 8.19 3kfbG1 GLU 378 HA -0.00 0.05 0.25 -0.75 4.29 3.83 3kfbG1 GLU 378 HB2 -0.03 0.16 0.16 -0.04 2.09 2.33 3kfbG1 GLU 378 HB3 0.04 0.06 0.08 -0.04 1.99 2.12 3kfbG1 GLU 378 HG2 0.01 -0.04 0.05 -0.04 2.34 2.32 3kfbG1 GLU 378 HG3 -0.01 0.01 0.04 -0.04 2.34 2.33 3kfbG1 GLU 379 H 0.03 0.31 -0.39 -0.55 8.60 8.00 3kfbG1 GLU 379 HA 0.02 0.04 0.69 -0.75 4.29 4.29 3kfbG1 GLU 379 HB2 0.03 0.16 0.21 -0.04 2.09 2.46 3kfbG1 GLU 379 HB3 0.03 0.08 0.19 -0.04 1.99 2.25 3kfbG1 GLU 379 HG2 0.02 0.04 0.04 -0.04 2.34 2.40 3kfbG1 GLU 379 HG3 0.02 -0.01 -0.14 -0.04 2.34 2.17 3kfbG1 VAL 380 H 0.01 0.49 -0.03 -0.55 8.24 8.17 3kfbG1 VAL 380 HA 0.01 0.06 0.58 -0.75 4.13 4.02 3kfbG1 VAL 380 HB 0.01 0.11 0.12 -0.04 2.12 2.31 3kfbG1 VAL 380 HG13 0.01 0.00 -0.06 -0.04 0.97 0.88 3kfbG1 VAL 380 HG23 0.01 0.03 0.08 -0.04 0.95 1.02 3kfbG1 ALA 381 H 0.01 0.47 -0.30 -0.55 8.40 8.03 3kfbG1 ALA 381 HA -0.00 0.05 0.46 -0.75 4.34 4.09 3kfbG1 ALA 381 HB3 -0.00 0.07 0.04 -0.04 1.41 1.48 3kfbG1 ARG 382 H 0.01 0.33 -0.22 -0.55 8.46 8.02 3kfbG1 ARG 382 HA 0.00 0.05 0.54 -0.75 4.34 4.18 3kfbG1 ARG 382 HB2 0.01 0.13 0.24 -0.04 1.90 2.23 3kfbG1 ARG 382 HB3 0.01 -0.10 0.09 -0.04 1.80 1.75 3kfbG1 ARG 382 HG2 0.01 -0.03 0.07 -0.04 1.67 1.67 3kfbG1 ARG 382 HG3 0.01 0.17 0.09 -0.04 1.67 1.90 3kfbG1 ARG 382 HD2 0.01 -0.14 0.05 -0.04 3.22 3.09 3kfbG1 ARG 382 HD3 0.01 0.00 0.00 -0.04 3.22 3.19 3kfbG1 ALA 383 H 0.01 0.34 -0.37 -0.55 8.40 7.83 3kfbG1 ALA 383 HA 0.01 0.05 0.56 -0.75 4.34 4.21 3kfbG1 ALA 383 HB3 0.01 0.05 0.13 -0.04 1.41 1.56 3kfbG1 VAL 384 H 0.00 0.36 -0.31 -0.55 8.24 7.74 3kfbG1 VAL 384 HA 0.00 0.07 0.60 -0.75 4.13 4.04 3kfbG1 VAL 384 HB -0.00 0.14 0.15 -0.04 2.12 2.37 3kfbG1 VAL 384 HG13 -0.00 -0.01 -0.13 -0.04 0.97 0.79 3kfbG1 VAL 384 HG23 0.00 0.04 -0.01 -0.04 0.95 0.94 3kfbG1 ASP 385 H -0.00 0.38 -0.09 -0.55 8.40 8.14 3kfbG1 ASP 385 HA -0.00 0.09 0.46 -0.75 4.63 4.43 3kfbG1 ASP 385 HB2 0.00 0.05 0.19 -0.04 2.71 2.91 3kfbG1 ASP 385 HB3 -0.00 -0.01 0.01 -0.04 2.70 2.66 3kfbG1 ASP 386 H 0.00 0.24 -0.45 -0.55 8.40 7.64 3kfbG1 ASP 386 HA 0.00 0.12 0.45 -0.75 4.63 4.45 3kfbG1 ASP 386 HB2 0.00 0.14 0.09 -0.04 2.71 2.89 3kfbG1 ASP 386 HB3 0.00 -0.08 -0.03 -0.04 2.70 2.56 3kfbG1 ALA 387 H 0.00 0.34 -0.20 -0.55 8.40 8.00 3kfbG1 ALA 387 HA 0.00 0.02 0.46 -0.75 4.34 4.07 3kfbG1 ALA 387 HB3 0.00 0.03 0.15 -0.04 1.41 1.54 3kfbG1 VAL 388 H -0.00 0.64 -0.21 -0.55 8.24 8.11 3kfbG1 VAL 388 HA -0.00 0.02 0.49 -0.75 4.13 3.89 3kfbG1 VAL 388 HB -0.01 0.09 0.12 -0.04 2.12 2.28 3kfbG1 VAL 388 HG13 -0.01 0.00 -0.11 -0.04 0.97 0.81 3kfbG1 VAL 388 HG23 -0.01 0.03 0.01 -0.04 0.95 0.94 3kfbG1 GLY 389 H -0.00 0.28 -0.38 -0.55 8.43 7.78 3kfbG1 GLY 389 HA2 -0.00 0.04 0.47 -0.51 4.01 4.00 3kfbG1 GLY 389 HA3 -0.00 0.10 0.46 -0.51 4.01 4.05 3kfbG1 VAL 390 H 0.00 0.45 -0.12 -0.55 8.24 8.02 3kfbG1 VAL 390 HA 0.00 0.05 0.51 -0.75 4.13 3.93 3kfbG1 VAL 390 HB 0.00 -0.05 0.01 -0.04 2.12 2.03 3kfbG1 VAL 390 HG13 0.00 0.00 0.02 -0.04 0.97 0.96 3kfbG1 VAL 390 HG23 0.00 0.08 0.01 -0.04 0.95 1.00 3kfbG1 VAL 391 H -0.00 0.46 -0.19 -0.55 8.24 7.97 3kfbG1 VAL 391 HA -0.00 0.02 0.57 -0.75 4.13 3.97 3kfbG1 VAL 391 HB -0.00 0.11 0.10 -0.04 2.12 2.29 3kfbG1 VAL 391 HG13 -0.00 -0.01 -0.11 -0.04 0.97 0.80 3kfbG1 VAL 391 HG23 -0.00 0.04 0.03 -0.04 0.95 0.98 3kfbG1 GLY 392 H -0.00 0.51 -0.21 -0.55 8.43 8.18 3kfbG1 GLY 392 HA2 -0.00 0.05 0.44 -0.51 4.01 3.98 3kfbG1 GLY 392 HA3 -0.00 0.15 0.31 -0.51 4.01 3.96 3kfbG1 CYS 393 H -0.00 0.32 -0.28 -0.55 8.50 7.99 3kfbG1 CYS 393 HA -0.00 0.08 0.57 -0.75 4.58 4.47 3kfbG1 CYS 393 HB2 0.00 0.07 0.22 -0.04 2.97 3.22 3kfbG1 CYS 393 HB3 0.00 -0.21 0.10 -0.04 2.97 2.82 3kfbG1 THR 394 H -0.00 0.38 -0.32 -0.55 8.28 7.79 3kfbG1 THR 394 HA 0.00 -0.04 0.67 -0.75 4.39 4.27 3kfbG1 THR 394 HB 0.00 0.13 0.07 -0.04 4.32 4.47 3kfbG1 THR 394 HG23 0.00 -0.01 -0.19 -0.04 1.22 0.98 3kfbG1 ILE 395 H -0.00 0.46 -0.07 -0.55 8.25 8.09 3kfbG1 ILE 395 HA -0.00 0.01 0.59 -0.75 4.18 4.02 3kfbG1 ILE 395 HB -0.00 0.04 0.14 -0.04 1.89 2.03 3kfbG1 ILE 395 HG12 -0.00 0.19 0.13 -0.04 1.49 1.77 3kfbG1 ILE 395 HG13 -0.00 -0.04 0.07 -0.04 1.21 1.20 3kfbG1 ILE 395 HG23 -0.00 0.00 -0.11 -0.04 0.93 0.78 3kfbG1 ILE 395 HD13 -0.00 -0.02 -0.12 -0.04 0.88 0.69 3kfbG1 GLU 396 H -0.00 0.32 -0.19 -0.55 8.60 8.18 3kfbG1 GLU 396 HA -0.00 0.14 0.53 -0.75 4.29 4.21 3kfbG1 GLU 396 HB2 -0.00 -0.01 0.20 -0.04 2.09 2.23 3kfbG1 GLU 396 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.94 3kfbG1 GLU 396 HG2 -0.00 -0.04 0.10 -0.04 2.34 2.36 3kfbG1 GLU 396 HG3 -0.00 0.22 0.18 -0.04 2.34 2.69 3kfbG1 ASP 397 H -0.00 0.41 -0.02 -0.55 8.40 8.24 3kfbG1 ASP 397 HA -0.00 0.07 0.47 -0.75 4.63 4.42 3kfbG1 ASP 397 HB2 0.00 0.05 0.32 -0.04 2.71 3.04 3kfbG1 ASP 397 HB3 0.00 -0.08 0.09 -0.04 2.70 2.67 3kfbG1 GLY 398 H 0.00 0.30 0.05 -0.55 8.43 8.23 3kfbG1 GLY 398 HA2 0.00 0.18 0.36 -0.51 4.01 4.04 3kfbG1 GLY 398 HA3 0.00 0.07 0.58 -0.51 4.01 4.15 3kfbG1 ARG 399 H 0.00 0.06 -0.09 -0.55 8.46 7.88 3kfbG1 ARG 399 HA 0.00 0.36 1.00 -0.75 4.34 4.95 3kfbG1 ARG 399 HB2 -0.00 -0.11 0.00 -0.04 1.90 1.75 3kfbG1 ARG 399 HB3 0.00 -0.00 -0.07 -0.04 1.80 1.69 3kfbG1 ARG 399 HG2 -0.00 0.11 -0.11 -0.04 1.67 1.63 3kfbG1 ARG 399 HG3 -0.00 0.06 -0.31 -0.04 1.67 1.38 3kfbG1 ARG 399 HD2 -0.00 0.01 -0.02 -0.04 3.22 3.17 3kfbG1 ARG 399 HD3 -0.00 0.01 -0.03 -0.04 3.22 3.16 3kfbG1 ILE 400 H 0.00 0.69 0.23 -0.55 8.25 8.63 3kfbG1 ILE 400 HA 0.00 -0.02 1.00 -0.75 4.18 4.41 3kfbG1 ILE 400 HB 0.00 0.10 -0.04 -0.04 1.89 1.91 3kfbG1 ILE 400 HG12 0.00 0.08 -0.11 -0.04 1.49 1.42 3kfbG1 ILE 400 HG13 0.00 -0.04 -0.35 -0.04 1.21 0.79 3kfbG1 ILE 400 HG23 0.00 -0.02 -0.31 -0.04 0.93 0.56 3kfbG1 ILE 400 HD13 0.00 -0.02 -0.19 -0.04 0.88 0.64 3kfbG1 VAL 401 H 0.01 0.80 0.29 -0.55 8.24 8.79 3kfbG1 VAL 401 HA 0.01 0.21 0.87 -0.75 4.13 4.46 3kfbG1 VAL 401 HB 0.01 -0.03 0.13 -0.04 2.12 2.19 3kfbG1 VAL 401 HG13 0.01 0.03 -0.18 -0.04 0.97 0.79 3kfbG1 VAL 401 HG23 0.01 -0.02 -0.18 -0.04 0.95 0.72 3kfbG1 SER 402 H 0.02 0.19 0.19 -0.55 8.46 8.32 3kfbG1 SER 402 HA 0.02 0.20 0.65 -0.75 4.49 4.60 3kfbG1 SER 402 HB2 0.02 0.01 0.06 -0.04 3.95 4.00 3kfbG1 SER 402 HB3 0.02 0.01 0.11 -0.04 3.93 4.02 3kfbG1 GLY 403 H 0.02 0.62 0.17 -0.55 8.43 8.70 3kfbG1 GLY 403 HA2 0.01 0.09 0.50 -0.51 4.01 4.11 3kfbG1 GLY 403 HA3 0.02 0.08 0.19 -0.51 4.01 3.79 3kfbG1 GLY 404 H 0.01 0.20 0.11 -0.55 8.43 8.19 3kfbG1 GLY 404 HA2 -0.01 0.08 0.33 -0.51 4.01 3.90 3kfbG1 GLY 404 HA3 0.01 0.17 0.35 -0.51 4.01 4.03 3kfbG1 GLY 405 H -0.00 0.04 -0.20 -0.55 8.43 7.72 3kfbG1 GLY 405 HA2 -0.02 0.00 0.19 -0.51 4.01 3.67 3kfbG1 GLY 405 HA3 -0.02 0.12 0.33 -0.51 4.01 3.93 3kfbG1 SER 406 H 0.02 0.23 -0.61 -0.55 8.46 7.55 3kfbG1 SER 406 HA 0.06 0.19 0.37 -0.75 4.49 4.36 3kfbG1 SER 406 HB2 0.06 0.13 -0.25 -0.04 3.95 3.84 3kfbG1 SER 406 HB3 0.05 -0.01 -0.19 -0.04 3.93 3.74 3kfbG1 THR 407 H 0.03 0.25 -0.02 -0.55 8.28 7.99 3kfbG1 THR 407 HA 0.07 0.19 0.60 -0.75 4.39 4.49 3kfbG1 THR 407 HB 0.02 0.04 0.13 -0.04 4.32 4.47 3kfbG1 THR 407 HG23 0.03 0.04 0.11 -0.04 1.22 1.36 3kfbG1 GLU 408 H -0.01 0.06 -0.75 -0.55 8.60 7.35 3kfbG1 GLU 408 HA -0.01 0.17 0.67 -0.75 4.29 4.36 3kfbG1 GLU 408 HB2 -0.04 0.02 0.01 -0.04 2.09 2.04 3kfbG1 GLU 408 HB3 -0.04 0.15 -0.14 -0.04 1.99 1.92 3kfbG1 GLU 408 HG2 -0.04 0.09 0.06 -0.04 2.34 2.41 3kfbG1 GLU 408 HG3 -0.02 0.05 -0.02 -0.04 2.34 2.30 3kfbG1 VAL 409 H -0.09 0.35 -0.05 -0.55 8.24 7.90 3kfbG1 VAL 409 HA -0.12 0.06 0.49 -0.75 4.13 3.80 3kfbG1 VAL 409 HB -0.48 0.15 0.19 -0.04 2.12 1.94 3kfbG1 VAL 409 HG13 -0.46 0.01 -0.20 -0.04 0.97 0.27 3kfbG1 VAL 409 HG23 -0.13 0.03 0.08 -0.04 0.95 0.89 3kfbG1 GLU 410 H -0.08 0.46 -0.03 -0.55 8.60 8.41 3kfbG1 GLU 410 HA 0.13 0.08 0.42 -0.75 4.29 4.17 3kfbG1 GLU 410 HB2 0.37 0.03 0.16 -0.04 2.09 2.60 3kfbG1 GLU 410 HB3 0.11 -0.03 0.12 -0.04 1.99 2.15 3kfbG1 GLU 410 HG2 0.07 0.03 -0.00 -0.04 2.34 2.40 3kfbG1 GLU 410 HG3 0.07 -0.01 -0.29 -0.04 2.34 2.06 3kfbG1 LEU 411 H 0.01 0.25 -0.47 -0.55 8.37 7.62 3kfbG1 LEU 411 HA 0.02 0.06 0.47 -0.75 4.35 4.14 3kfbG1 LEU 411 HB2 0.02 0.16 0.15 -0.04 1.64 1.92 3kfbG1 LEU 411 HB3 0.01 0.02 0.10 -0.04 1.64 1.73 3kfbG1 LEU 411 HG 0.04 -0.04 -0.05 -0.04 1.64 1.54 3kfbG1 LEU 411 HD13 -0.00 -0.00 0.00 -0.04 0.93 0.89 3kfbG1 LEU 411 HD23 0.03 -0.02 -0.02 -0.04 0.89 0.84 3kfbG1 SER 412 H -0.02 0.42 -0.43 -0.55 8.46 7.89 3kfbG1 SER 412 HA 0.03 0.02 0.52 -0.75 4.49 4.31 3kfbG1 SER 412 HB2 -0.03 0.07 0.11 -0.04 3.95 4.07 3kfbG1 SER 412 HB3 -0.04 0.06 0.21 -0.04 3.93 4.12 3kfbG1 MET 413 H -0.01 0.60 -0.05 -0.55 8.47 8.47 3kfbG1 MET 413 HA 0.02 0.01 0.38 -0.75 4.52 4.18 3kfbG1 MET 413 HB2 0.02 -0.05 0.07 -0.04 2.15 2.16 3kfbG1 MET 413 HB3 -0.00 0.06 0.10 -0.04 2.03 2.15 3kfbG1 MET 413 HG2 0.05 0.09 0.07 -0.04 2.63 2.80 3kfbG1 MET 413 HG3 0.05 0.01 -0.33 -0.04 2.56 2.24 3kfbG1 MET 413 HE3 0.08 -0.00 -0.09 -0.04 2.10 2.04 3kfbG1 LYS 414 H 0.03 0.39 -0.35 -0.55 8.42 7.94 3kfbG1 LYS 414 HA 0.04 0.07 0.57 -0.75 4.32 4.26 3kfbG1 LYS 414 HB2 0.02 0.10 0.09 -0.04 1.87 2.04 3kfbG1 LYS 414 HB3 0.01 -0.04 0.01 -0.04 1.79 1.73 3kfbG1 LYS 414 HG2 0.04 0.00 -0.00 -0.04 1.46 1.46 3kfbG1 LYS 414 HG3 0.03 0.01 -0.01 -0.04 1.46 1.45 3kfbG1 LYS 414 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 3kfbG1 LYS 414 HD3 0.03 -0.05 0.02 -0.04 1.68 1.65 3kfbG1 LYS 414 HE2 0.03 0.03 -0.03 -0.04 2.99 2.98 3kfbG1 LYS 414 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 3kfbG1 LEU 415 H 0.05 0.45 -0.23 -0.55 8.37 8.09 3kfbG1 LEU 415 HA 0.11 0.08 0.62 -0.75 4.35 4.40 3kfbG1 LEU 415 HB2 0.08 0.17 0.17 -0.04 1.64 2.03 3kfbG1 LEU 415 HB3 0.12 -0.05 0.01 -0.04 1.64 1.67 3kfbG1 LEU 415 HG 0.01 0.08 -0.00 -0.04 1.64 1.68 3kfbG1 LEU 415 HD13 0.11 -0.02 -0.07 -0.04 0.93 0.91 3kfbG1 LEU 415 HD23 -0.10 -0.03 -0.02 -0.04 0.89 0.70 3kfbG1 ARG 416 H 0.06 0.34 -0.29 -0.55 8.46 8.02 3kfbG1 ARG 416 HA 0.06 0.05 0.46 -0.75 4.34 4.17 3kfbG1 ARG 416 HB2 0.04 0.12 0.13 -0.04 1.90 2.15 3kfbG1 ARG 416 HB3 0.03 -0.02 -0.01 -0.04 1.80 1.76 3kfbG1 ARG 416 HG2 0.04 -0.05 0.06 -0.04 1.67 1.67 3kfbG1 ARG 416 HG3 0.04 0.10 0.00 -0.04 1.67 1.78 3kfbG1 ARG 416 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.17 3kfbG1 ARG 416 HD3 0.02 -0.01 -0.03 -0.04 3.22 3.16 3kfbG1 GLU 417 H 0.07 0.31 -0.29 -0.55 8.60 8.14 3kfbG1 GLU 417 HA 0.03 0.10 0.69 -0.75 4.29 4.36 3kfbG1 GLU 417 HB2 0.04 -0.03 0.10 -0.04 2.09 2.16 3kfbG1 GLU 417 HB3 0.04 0.02 0.07 -0.04 1.99 2.07 3kfbG1 GLU 417 HG2 0.06 0.06 0.17 -0.04 2.34 2.59 3kfbG1 GLU 417 HG3 0.07 0.03 -0.11 -0.04 2.34 2.28 3kfbG1 TYR 418 H 0.17 0.18 -0.45 -0.55 8.29 7.64 3kfbG1 TYR 418 HA 0.00 0.10 0.65 -0.75 4.56 4.55 3kfbG1 TYR 418 HB2 -0.00 0.06 0.12 -0.04 3.06 3.20 3kfbG1 TYR 418 HB3 -0.00 0.07 0.18 -0.04 2.98 3.19 3kfbG1 TYR 418 HD2 -0.02 0.03 -0.03 -0.04 7.15 7.09 3kfbG1 TYR 418 HE2 -0.03 -0.02 -0.09 -0.04 6.85 6.67 3kfbG1 ALA 419 H 0.06 0.28 -0.37 -0.55 8.40 7.82 3kfbG1 ALA 419 HA -0.20 0.04 0.43 -0.75 4.34 3.85 3kfbG1 ALA 419 HB3 0.02 0.05 0.05 -0.04 1.41 1.49 3kfbG1 GLU 420 H -0.02 0.23 -0.35 -0.55 8.60 7.90 3kfbG1 GLU 420 HA -0.03 0.04 0.40 -0.75 4.29 3.95 3kfbG1 GLU 420 HB2 -0.01 0.13 0.03 -0.04 2.09 2.19 3kfbG1 GLU 420 HB3 -0.01 -0.04 0.05 -0.04 1.99 1.95 3kfbG1 GLU 420 HG2 -0.00 -0.05 0.05 -0.04 2.34 2.30 3kfbG1 GLU 420 HG3 0.00 0.23 0.16 -0.04 2.34 2.69 3kfbG1 GLY 421 H -0.12 0.24 -0.72 -0.55 8.43 7.29 3kfbG1 GLY 421 HA2 -0.06 0.07 0.52 -0.51 4.01 4.03 3kfbG1 GLY 421 HA3 -0.09 0.01 0.27 -0.51 4.01 3.69 3kfbG1 ILE 422 H -0.12 0.48 -0.62 -0.55 8.25 7.44 3kfbG1 ILE 422 HA -0.11 0.11 0.94 -0.75 4.18 4.36 3kfbG1 ILE 422 HB -0.13 0.10 0.13 -0.04 1.89 1.95 3kfbG1 ILE 422 HG12 -0.30 -0.00 -0.09 -0.04 1.49 1.05 3kfbG1 ILE 422 HG13 -0.47 0.16 -0.25 -0.04 1.21 0.61 3kfbG1 ILE 422 HG23 -0.07 -0.04 -0.22 -0.04 0.93 0.56 3kfbG1 ILE 422 HD13 -0.36 -0.04 -0.10 -0.04 0.88 0.33 3kfbG1 SER 423 H -0.05 0.15 0.13 -0.55 8.46 8.14 3kfbG1 SER 423 HA -0.03 0.18 0.78 -0.75 4.49 4.67 3kfbG1 SER 423 HB2 -0.02 -0.04 0.06 -0.04 3.95 3.91 3kfbG1 SER 423 HB3 -0.03 0.06 0.04 -0.04 3.93 3.96 3kfbG1 GLY 424 H -0.02 0.18 0.18 -0.55 8.43 8.23 3kfbG1 GLY 424 HA2 -0.01 0.05 0.37 -0.51 4.01 3.91 3kfbG1 GLY 424 HA3 -0.01 0.19 0.93 -0.51 4.01 4.61 3kfbG1 ARG 425 H -0.01 0.19 0.19 -0.55 8.46 8.29 3kfbG1 ARG 425 HA 0.00 0.18 0.51 -0.75 4.34 4.28 3kfbG1 ARG 425 HB2 0.00 -0.00 0.16 -0.04 1.90 2.02 3kfbG1 ARG 425 HB3 0.01 0.01 -0.00 -0.04 1.80 1.78 3kfbG1 ARG 425 HG2 0.01 0.03 0.08 -0.04 1.67 1.74 3kfbG1 ARG 425 HG3 0.00 0.03 0.04 -0.04 1.67 1.70 3kfbG1 ARG 425 HD2 0.01 -0.04 0.04 -0.04 3.22 3.19 3kfbG1 ARG 425 HD3 0.01 0.09 0.02 -0.04 3.22 3.30 3kfbG1 GLU 426 H -0.00 0.10 -0.17 -0.55 8.60 7.99 3kfbG1 GLU 426 HA 0.02 0.16 0.49 -0.75 4.29 4.20 3kfbG1 GLU 426 HB2 0.01 0.01 -0.00 -0.04 2.09 2.07 3kfbG1 GLU 426 HB3 0.00 0.02 0.10 -0.04 1.99 2.07 3kfbG1 GLU 426 HG2 -0.01 -0.14 0.03 -0.04 2.34 2.18 3kfbG1 GLU 426 HG3 -0.02 0.09 -0.22 -0.04 2.34 2.16 3kfbG1 GLN 427 H -0.01 0.28 -0.68 -0.55 8.47 7.52 3kfbG1 GLN 427 HA -0.01 0.05 0.34 -0.75 4.36 3.99 3kfbG1 GLN 427 HB2 -0.03 0.20 -0.02 -0.04 2.15 2.26 3kfbG1 GLN 427 HB3 -0.01 0.10 0.08 -0.04 2.02 2.15 3kfbG1 GLN 427 HG2 0.00 -0.14 -0.29 -0.04 2.40 1.92 3kfbG1 GLN 427 HG3 -0.03 0.16 0.05 -0.04 2.39 2.53 3kfbG1 GLN 427 HE21 -0.01 -0.05 0.01 -0.04 6.97 6.88 3kfbG1 GLN 427 HE22 -0.00 -0.05 -0.01 -0.04 7.69 7.58 3kfbG1 LEU 428 H 0.02 0.36 -0.34 -0.55 8.37 7.86 3kfbG1 LEU 428 HA 0.04 0.07 0.45 -0.75 4.35 4.15 3kfbG1 LEU 428 HB2 0.03 0.13 0.05 -0.04 1.64 1.81 3kfbG1 LEU 428 HB3 0.03 -0.00 0.04 -0.04 1.64 1.67 3kfbG1 LEU 428 HG 0.01 -0.03 0.07 -0.04 1.64 1.64 3kfbG1 LEU 428 HD13 0.01 0.00 0.04 -0.04 0.93 0.94 3kfbG1 LEU 428 HD23 0.02 0.00 -0.00 -0.04 0.89 0.87 3kfbG1 ALA 429 H 0.07 0.40 -0.39 -0.55 8.40 7.92 3kfbG1 ALA 429 HA 0.19 0.13 0.58 -0.75 4.34 4.48 3kfbG1 ALA 429 HB3 0.09 0.03 0.13 -0.04 1.41 1.62 3kfbG1 VAL 430 H 0.10 0.35 -0.08 -0.55 8.24 8.06 3kfbG1 VAL 430 HA 0.14 0.09 0.58 -0.75 4.13 4.19 3kfbG1 VAL 430 HB 0.05 0.11 0.12 -0.04 2.12 2.35 3kfbG1 VAL 430 HG13 0.14 0.00 -0.09 -0.04 0.97 0.98 3kfbG1 VAL 430 HG23 0.05 0.08 0.01 -0.04 0.95 1.05 3kfbG1 ARG 431 H 0.08 0.51 -0.08 -0.55 8.46 8.42 3kfbG1 ARG 431 HA 0.08 0.05 0.48 -0.75 4.34 4.19 3kfbG1 ARG 431 HB2 0.06 0.07 0.07 -0.04 1.90 2.05 3kfbG1 ARG 431 HB3 0.05 -0.03 0.02 -0.04 1.80 1.79 3kfbG1 ARG 431 HG2 0.04 -0.01 0.05 -0.04 1.67 1.70 3kfbG1 ARG 431 HG3 0.03 0.15 0.08 -0.04 1.67 1.89 3kfbG1 ARG 431 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.15 3kfbG1 ARG 431 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 3kfbG1 ALA 432 H 0.15 0.24 -0.57 -0.55 8.40 7.67 3kfbG1 ALA 432 HA 0.08 0.02 0.36 -0.75 4.34 4.05 3kfbG1 ALA 432 HB3 0.24 0.07 0.07 -0.04 1.41 1.75 3kfbG1 PHE 433 H 0.26 0.43 -0.27 -0.55 8.34 8.20 3kfbG1 PHE 433 HA -0.26 0.02 0.42 -0.75 4.62 4.04 3kfbG1 PHE 433 HB2 -0.21 0.15 0.15 -0.04 3.15 3.19 3kfbG1 PHE 433 HB3 -0.06 0.11 0.11 -0.04 3.06 3.18 3kfbG1 PHE 433 HD2 -0.55 0.01 -0.17 -0.04 7.28 6.53 3kfbG1 PHE 433 HE2 -0.15 -0.02 -0.06 -0.04 7.38 7.11 3kfbG1 PHE 433 HZ -0.09 0.00 -0.04 -0.04 7.32 7.14 3kfbG1 ALA 434 H 0.17 0.50 -0.27 -0.55 8.40 8.26 3kfbG1 ALA 434 HA 0.12 0.02 0.43 -0.75 4.34 4.16 3kfbG1 ALA 434 HB3 0.08 0.06 0.08 -0.04 1.41 1.59 3kfbG1 ASP 435 H 0.03 0.53 -0.22 -0.55 8.40 8.20 3kfbG1 ASP 435 HA -0.01 -0.01 0.29 -0.75 4.63 4.15 3kfbG1 ASP 435 HB2 0.01 0.12 0.07 -0.04 2.71 2.87 3kfbG1 ASP 435 HB3 -0.01 -0.07 0.02 -0.04 2.70 2.60 3kfbG1 ALA 436 H -0.10 0.34 -0.59 -0.55 8.40 7.51 3kfbG1 ALA 436 HA -0.09 0.05 0.45 -0.75 4.34 3.99 3kfbG1 ALA 436 HB3 -0.25 0.04 -0.06 -0.04 1.41 1.10 3kfbG1 LEU 437 H -0.14 0.48 -0.20 -0.55 8.37 7.96 3kfbG1 LEU 437 HA -0.13 -0.02 0.38 -0.75 4.35 3.83 3kfbG1 LEU 437 HB2 -0.04 0.29 0.14 -0.04 1.64 1.98 3kfbG1 LEU 437 HB3 -0.05 -0.11 0.03 -0.04 1.64 1.47 3kfbG1 LEU 437 HG -0.17 0.18 0.06 -0.04 1.64 1.66 3kfbG1 LEU 437 HD13 0.09 -0.01 -0.08 -0.04 0.93 0.89 3kfbG1 LEU 437 HD23 -0.07 -0.04 -0.01 -0.04 0.89 0.73 3kfbG1 GLU 438 H -0.06 0.35 -0.52 -0.55 8.60 7.83 3kfbG1 GLU 438 HA -0.05 -0.00 0.37 -0.75 4.29 3.85 3kfbG1 GLU 438 HB2 -0.04 0.25 0.05 -0.04 2.09 2.32 3kfbG1 GLU 438 HB3 -0.04 -0.08 0.14 -0.04 1.99 1.96 3kfbG1 GLU 438 HG2 -0.05 -0.07 0.02 -0.04 2.34 2.19 3kfbG1 GLU 438 HG3 -0.04 0.07 -0.02 -0.04 2.34 2.32 3kfbG1 VAL 439 H -0.07 0.39 -0.80 -0.55 8.24 7.22 3kfbG1 VAL 439 HA -0.04 0.06 0.48 -0.75 4.13 3.87 3kfbG1 VAL 439 HB -0.06 0.13 0.11 -0.04 2.12 2.26 3kfbG1 VAL 439 HG13 -0.07 0.04 -0.15 -0.04 0.97 0.75 3kfbG1 VAL 439 HG23 -0.04 -0.02 0.02 -0.04 0.95 0.86 3kfbG1 ILE 440 H -0.05 0.41 -0.13 -0.55 8.25 7.93 3kfbG1 ILE 440 HA -0.04 0.10 0.53 -0.75 4.18 4.02 3kfbG1 ILE 440 HB -0.04 0.09 0.12 -0.04 1.89 2.02 3kfbG1 ILE 440 HG12 -0.05 0.11 0.03 -0.04 1.49 1.54 3kfbG1 ILE 440 HG13 -0.04 -0.03 0.01 -0.04 1.21 1.11 3kfbG1 ILE 440 HG23 -0.03 -0.03 -0.11 -0.04 0.93 0.72 3kfbG1 ILE 440 HD13 -0.04 0.01 -0.08 -0.04 0.88 0.74 3kfbG1 PRO 441 HA -0.03 0.05 0.43 -0.51 4.44 4.38 3kfbG1 PRO 441 HB2 -0.04 0.10 -0.01 -0.04 2.28 2.29 3kfbG1 PRO 441 HB3 -0.04 0.04 0.10 -0.04 2.02 2.08 3kfbG1 PRO 441 HG2 -0.06 0.07 0.06 -0.04 2.03 2.06 3kfbG1 PRO 441 HG3 -0.05 0.15 0.17 -0.04 2.03 2.26 3kfbG1 PRO 441 HD2 -0.05 0.18 -0.31 -0.04 3.68 3.46 3kfbG1 PRO 441 HD3 -0.04 0.11 0.15 -0.04 3.65 3.83 3kfbG1 ARG 442 H -0.04 0.35 -0.38 -0.55 8.46 7.84 3kfbG1 ARG 442 HA -0.03 0.04 0.42 -0.75 4.34 4.02 3kfbG1 ARG 442 HB2 -0.03 0.26 0.16 -0.04 1.90 2.25 3kfbG1 ARG 442 HB3 -0.03 0.05 0.10 -0.04 1.80 1.87 3kfbG1 ARG 442 HG2 -0.02 -0.04 -0.08 -0.04 1.67 1.48 3kfbG1 ARG 442 HG3 -0.02 -0.03 -0.02 -0.04 1.67 1.56 3kfbG1 ARG 442 HD2 -0.02 -0.06 -0.07 -0.04 3.22 3.03 3kfbG1 ARG 442 HD3 -0.02 0.04 -0.03 -0.04 3.22 3.16 3kfbG1 THR 443 H -0.03 0.55 -0.12 -0.55 8.28 8.13 3kfbG1 THR 443 HA -0.03 0.01 0.55 -0.75 4.39 4.17 3kfbG1 THR 443 HB -0.03 0.06 0.14 -0.04 4.32 4.44 3kfbG1 THR 443 HG23 -0.03 0.02 0.08 -0.04 1.22 1.26 3kfbG1 LEU 444 H -0.04 0.32 -0.44 -0.55 8.37 7.67 3kfbG1 LEU 444 HA -0.05 0.16 0.59 -0.75 4.35 4.30 3kfbG1 LEU 444 HB2 -0.04 0.16 0.07 -0.04 1.64 1.79 3kfbG1 LEU 444 HB3 -0.06 -0.08 -0.03 -0.04 1.64 1.43 3kfbG1 LEU 444 HG -0.03 0.26 -0.01 -0.04 1.64 1.82 3kfbG1 LEU 444 HD13 -0.03 -0.05 -0.20 -0.04 0.93 0.61 3kfbG1 LEU 444 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.74 3kfbG1 ALA 445 H -0.04 0.32 -0.28 -0.55 8.40 7.85 3kfbG1 ALA 445 HA -0.05 0.02 0.44 -0.75 4.34 4.00 3kfbG1 ALA 445 HB3 -0.03 0.03 -0.04 -0.04 1.41 1.33 3kfbG1 GLU 446 H -0.03 0.43 0.02 -0.55 8.60 8.47 3kfbG1 GLU 446 HA -0.02 0.06 0.33 -0.75 4.29 3.90 3kfbG1 GLU 446 HB2 -0.03 0.06 0.14 -0.04 2.09 2.22 3kfbG1 GLU 446 HB3 -0.02 0.02 -0.04 -0.04 1.99 1.90 3kfbG1 GLU 446 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.27 3kfbG1 GLU 446 HG3 -0.02 0.12 0.05 -0.04 2.34 2.44 3kfbG1 ASN 447 H -0.03 0.37 -0.32 -0.55 8.53 7.99 3kfbG1 ASN 447 HA -0.03 0.04 0.37 -0.75 4.76 4.39 3kfbG1 ASN 447 HB2 -0.04 0.02 -0.03 -0.04 2.88 2.79 3kfbG1 ASN 447 HB3 -0.03 0.12 -0.08 -0.04 2.79 2.77 3kfbG1 ASN 447 HD21 -0.03 0.18 0.21 -0.04 7.03 7.36 3kfbG1 ASN 447 HD22 -0.03 0.35 0.14 -0.04 7.74 8.15 3kfbG1 ALA 448 H -0.05 0.19 -0.54 -0.55 8.40 7.46 3kfbG1 ALA 448 HA -0.07 0.06 0.57 -0.75 4.34 4.15 3kfbG1 ALA 448 HB3 -0.08 -0.00 0.15 -0.04 1.41 1.44 3kfbG1 GLY 449 H -0.03 0.41 -0.31 -0.55 8.43 7.95 3kfbG1 GLY 449 HA2 -0.02 0.03 0.34 -0.51 4.01 3.85 3kfbG1 GLY 449 HA3 -0.02 0.11 0.77 -0.51 4.01 4.36 3kfbG1 LEU 450 H -0.03 0.09 -0.23 -0.55 8.37 7.66 3kfbG1 LEU 450 HA -0.02 0.08 0.30 -0.75 4.35 3.96 3kfbG1 LEU 450 HB2 -0.03 0.00 0.01 -0.04 1.64 1.58 3kfbG1 LEU 450 HB3 -0.02 -0.09 0.04 -0.04 1.64 1.52 3kfbG1 LEU 450 HG -0.02 0.02 -0.06 -0.04 1.64 1.54 3kfbG1 LEU 450 HD13 -0.04 0.02 -0.10 -0.04 0.93 0.77 3kfbG1 LEU 450 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.85 3kfbG1 ASP 451 H -0.01 0.13 0.11 -0.55 8.40 8.07 3kfbG1 ASP 451 HA -0.01 0.18 0.59 -0.75 4.63 4.63 3kfbG1 ASP 451 HB2 -0.01 0.13 0.13 -0.04 2.71 2.92 3kfbG1 ASP 451 HB3 -0.01 -0.08 0.20 -0.04 2.70 2.78 3kfbG1 ALA 452 H -0.02 0.29 0.17 -0.55 8.40 8.29 3kfbG1 ALA 452 HA -0.02 0.07 0.20 -0.75 4.34 3.84 3kfbG1 ALA 452 HB3 -0.02 0.03 0.09 -0.04 1.41 1.47 3kfbG1 ILE 453 H -0.01 0.08 -0.15 -0.55 8.25 7.62 3kfbG1 ILE 453 HA -0.01 0.15 0.35 -0.75 4.18 3.91 3kfbG1 ILE 453 HB -0.01 -0.01 0.00 -0.04 1.89 1.84 3kfbG1 ILE 453 HG12 -0.01 0.07 -0.00 -0.04 1.49 1.51 3kfbG1 ILE 453 HG13 -0.01 -0.15 0.10 -0.04 1.21 1.10 3kfbG1 ILE 453 HG23 -0.01 0.03 -0.04 -0.04 0.93 0.87 3kfbG1 ILE 453 HD13 -0.01 0.03 0.01 -0.04 0.88 0.86 3kfbG1 GLU 454 H -0.01 0.06 -0.17 -0.55 8.60 7.93 3kfbG1 GLU 454 HA -0.01 0.11 0.39 -0.75 4.29 4.03 3kfbG1 GLU 454 HB2 -0.01 0.01 0.08 -0.04 2.09 2.13 3kfbG1 GLU 454 HB3 -0.01 0.05 0.10 -0.04 1.99 2.09 3kfbG1 GLU 454 HG2 -0.00 0.03 -0.03 -0.04 2.34 2.30 3kfbG1 GLU 454 HG3 -0.00 -0.01 -0.24 -0.04 2.34 2.05 3kfbG1 ILE 455 H -0.01 0.48 -0.15 -0.55 8.25 8.03 3kfbG1 ILE 455 HA -0.01 0.04 0.38 -0.75 4.18 3.84 3kfbG1 ILE 455 HB -0.02 0.10 0.06 -0.04 1.89 1.99 3kfbG1 ILE 455 HG12 -0.01 -0.01 0.01 -0.04 1.49 1.44 3kfbG1 ILE 455 HG13 -0.01 0.04 0.07 -0.04 1.21 1.26 3kfbG1 ILE 455 HG23 -0.01 -0.01 -0.20 -0.04 0.93 0.66 3kfbG1 ILE 455 HD13 -0.02 -0.00 -0.10 -0.04 0.88 0.71 3kfbG1 LEU 456 H -0.02 0.42 -0.28 -0.55 8.37 7.95 3kfbG1 LEU 456 HA -0.03 -0.02 0.32 -0.75 4.35 3.88 3kfbG1 LEU 456 HB2 -0.02 0.24 0.17 -0.04 1.64 1.98 3kfbG1 LEU 456 HB3 -0.02 0.13 0.01 -0.04 1.64 1.72 3kfbG1 LEU 456 HG -0.03 -0.03 0.05 -0.04 1.64 1.58 3kfbG1 LEU 456 HD13 -0.04 -0.02 0.03 -0.04 0.93 0.85 3kfbG1 LEU 456 HD23 -0.03 0.00 0.00 -0.04 0.89 0.83 3kfbG1 VAL 457 H -0.01 0.30 -0.69 -0.55 8.24 7.29 3kfbG1 VAL 457 HA -0.01 0.12 0.74 -0.75 4.13 4.23 3kfbG1 VAL 457 HB -0.00 0.16 0.14 -0.04 2.12 2.38 3kfbG1 VAL 457 HG13 0.00 -0.01 -0.11 -0.04 0.97 0.81 3kfbG1 VAL 457 HG23 -0.01 0.06 0.00 -0.04 0.95 0.97 3kfbG1 LYS 458 H 0.00 0.39 0.03 -0.55 8.42 8.29 3kfbG1 LYS 458 HA 0.01 0.08 0.52 -0.75 4.32 4.18 3kfbG1 LYS 458 HB2 0.01 0.08 0.15 -0.04 1.87 2.07 3kfbG1 LYS 458 HB3 0.01 -0.04 0.03 -0.04 1.79 1.75 3kfbG1 LYS 458 HG2 0.01 -0.00 0.03 -0.04 1.46 1.45 3kfbG1 LYS 458 HG3 0.00 0.14 0.05 -0.04 1.46 1.61 3kfbG1 LYS 458 HD2 0.00 -0.03 0.01 -0.04 1.69 1.63 3kfbG1 LYS 458 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 3kfbG1 LYS 458 HE2 0.00 0.00 -0.01 -0.04 2.99 2.94 3kfbG1 LYS 458 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 3kfbG1 VAL 459 H 0.00 0.43 -0.18 -0.55 8.24 7.95 3kfbG1 VAL 459 HA 0.07 0.09 0.47 -0.75 4.13 4.00 3kfbG1 VAL 459 HB -0.03 0.06 0.01 -0.04 2.12 2.12 3kfbG1 VAL 459 HG13 -0.04 0.01 -0.16 -0.04 0.97 0.75 3kfbG1 VAL 459 HG23 0.01 0.01 -0.12 -0.04 0.95 0.80 3kfbG1 ARG 460 H -0.01 0.25 -0.33 -0.55 8.46 7.81 3kfbG1 ARG 460 HA -0.07 0.06 0.45 -0.75 4.34 4.02 3kfbG1 ARG 460 HB2 -0.03 0.33 0.25 -0.04 1.90 2.41 3kfbG1 ARG 460 HB3 -0.01 0.05 0.09 -0.04 1.80 1.89 3kfbG1 ARG 460 HG2 -0.01 -0.03 0.00 -0.04 1.67 1.59 3kfbG1 ARG 460 HG3 -0.05 -0.03 0.06 -0.04 1.67 1.62 3kfbG1 ARG 460 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.16 3kfbG1 ARG 460 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.13 3kfbG1 ALA 461 H 0.02 0.40 -0.28 -0.55 8.40 8.00 3kfbG1 ALA 461 HA 0.03 0.07 0.56 -0.75 4.34 4.25 3kfbG1 ALA 461 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 3kfbG1 ALA 462 H 0.08 0.19 -0.58 -0.55 8.40 7.54 3kfbG1 ALA 462 HA 0.03 0.14 0.60 -0.75 4.34 4.37 3kfbG1 ALA 462 HB3 0.05 -0.01 0.10 -0.04 1.41 1.51 3kfbG1 HIS 463 H 0.15 0.12 -0.66 -0.55 8.41 7.48 3kfbG1 HIS 463 HA 0.00 -0.12 0.86 -0.75 4.63 4.62 3kfbG1 HIS 463 HB2 0.00 0.15 0.06 -0.04 3.26 3.44 3kfbG1 HIS 463 HB3 0.00 -0.01 -0.10 -0.04 3.20 3.05 3kfbG1 HIS 463 HD2 0.00 0.16 -0.09 -0.04 6.97 6.99 3kfbG1 HIS 463 HE1 0.00 0.16 0.06 -0.04 7.75 7.93 3kfbG1 ALA 464 H 0.08 0.04 -0.14 -0.55 8.40 7.83 3kfbG1 ALA 464 HA 0.05 0.03 0.40 -0.75 4.34 4.07 3kfbG1 ALA 464 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 3kfbG1 SER 465 H 0.02 0.09 0.10 -0.55 8.46 8.13 3kfbG1 SER 465 HA 0.01 -0.02 0.37 -0.75 4.49 4.09 3kfbG1 SER 465 HB2 0.01 -0.05 0.09 -0.04 3.95 3.96 3kfbG1 SER 465 HB3 0.01 -0.04 -0.12 -0.04 3.93 3.73 3kfbG1 ASN 466 H -0.00 0.14 0.05 -0.55 8.53 8.17 3kfbG1 ASN 466 HA -0.01 0.21 0.93 -0.75 4.76 5.14 3kfbG1 ASN 466 HB2 -0.01 -0.11 0.17 -0.04 2.88 2.88 3kfbG1 ASN 466 HB3 -0.01 0.01 -0.01 -0.04 2.79 2.74 3kfbG1 ASN 466 HD21 -0.00 -0.00 -0.04 -0.04 7.03 6.95 3kfbG1 ASN 466 HD22 -0.00 -0.03 -0.00 -0.04 7.74 7.67 3kfbG1 GLY 467 H -0.02 -0.00 0.10 -0.55 8.43 7.96 3kfbG1 GLY 467 HA2 -0.06 0.14 0.55 -0.51 4.01 4.13 3kfbG1 GLY 467 HA3 -0.04 -0.05 0.34 -0.51 4.01 3.75 3kfbG1 ASN 468 H -0.24 0.23 0.29 -0.55 8.53 8.27 3kfbG1 ASN 468 HA -0.09 0.03 0.49 -0.75 4.76 4.44 3kfbG1 ASN 468 HB2 -0.18 0.01 0.17 -0.04 2.88 2.84 3kfbG1 ASN 468 HB3 -0.09 -0.14 0.02 -0.04 2.79 2.53 3kfbG1 ASN 468 HD21 -0.03 0.05 0.00 -0.04 7.03 7.01 3kfbG1 ASN 468 HD22 -0.05 -0.10 0.11 -0.04 7.74 7.66 3kfbG1 LYS 469 H -0.68 0.17 0.15 -0.55 8.42 7.51 3kfbG1 LYS 469 HA -0.26 0.08 0.40 -0.75 4.32 3.78 3kfbG1 LYS 469 HB2 -0.05 0.09 0.09 -0.04 1.87 1.96 3kfbG1 LYS 469 HB3 -0.07 0.44 0.68 -0.04 1.79 2.79 3kfbG1 LYS 469 HG2 0.00 -0.12 -0.18 -0.04 1.46 1.12 3kfbG1 LYS 469 HG3 0.01 0.01 0.06 -0.04 1.46 1.50 3kfbG1 LYS 469 HD2 -0.02 0.02 -0.01 -0.04 1.69 1.64 3kfbG1 LYS 469 HD3 -0.00 -0.03 -0.04 -0.04 1.68 1.57 3kfbG1 LYS 469 HE2 0.00 -0.03 0.03 -0.04 2.99 2.95 3kfbG1 LYS 469 HE3 -0.01 0.03 0.01 -0.04 2.99 2.98 3kfbG1 CYS 470 H -0.12 0.11 -0.66 -0.55 8.50 7.28 3kfbG1 CYS 470 HA 0.01 0.22 0.79 -0.75 4.58 4.84 3kfbG1 CYS 470 HB2 -0.02 0.18 -0.02 -0.04 2.97 3.06 3kfbG1 CYS 470 HB3 -0.02 -0.03 0.06 -0.04 2.97 2.93 3kfbG1 ALA 471 H -0.15 0.09 -0.20 -0.55 8.40 7.60 3kfbG1 ALA 471 HA 0.02 0.17 0.83 -0.75 4.34 4.62 3kfbG1 ALA 471 HB3 -0.02 0.02 -0.00 -0.04 1.41 1.37 3kfbG1 GLY 472 H 0.05 0.60 0.35 -0.55 8.43 8.88 3kfbG1 GLY 472 HA2 0.06 0.13 0.59 -0.51 4.01 4.28 3kfbG1 GLY 472 HA3 0.05 0.07 0.19 -0.51 4.01 3.81 3kfbG1 LEU 473 H 0.00 0.32 0.15 -0.55 8.37 8.30 3kfbG1 LEU 473 HA 0.00 0.06 0.38 -0.75 4.35 4.04 3kfbG1 LEU 473 HB2 -0.01 -0.00 -0.00 -0.04 1.64 1.58 3kfbG1 LEU 473 HB3 -0.02 0.04 0.12 -0.04 1.64 1.74 3kfbG1 LEU 473 HG -0.05 -0.10 -0.52 -0.04 1.64 0.92 3kfbG1 LEU 473 HD13 -0.02 -0.00 -0.22 -0.04 0.93 0.64 3kfbG1 LEU 473 HD23 -0.04 0.00 -0.17 -0.04 0.89 0.65 3kfbG1 ASN 474 H 0.01 0.45 0.15 -0.55 8.53 8.59 3kfbG1 ASN 474 HA -0.00 0.16 1.02 -0.75 4.76 5.19 3kfbG1 ASN 474 HB2 0.04 0.06 0.07 -0.04 2.88 3.00 3kfbG1 ASN 474 HB3 0.04 0.01 0.22 -0.04 2.79 3.03 3kfbG1 ASN 474 HD21 0.14 0.08 -0.01 -0.04 7.03 7.20 3kfbG1 ASN 474 HD22 0.08 0.05 0.00 -0.04 7.74 7.83 3kfbG1 VAL 475 H -0.17 0.22 0.06 -0.55 8.24 7.81 3kfbG1 VAL 475 HA -0.14 0.11 0.15 -0.75 4.13 3.50 3kfbG1 VAL 475 HB -0.33 0.11 0.09 -0.04 2.12 1.94 3kfbG1 VAL 475 HG13 -0.15 0.02 -0.01 -0.04 0.97 0.78 3kfbG1 VAL 475 HG23 -0.89 -0.02 -0.01 -0.04 0.95 -0.01 3kfbG1 PHE 476 H -0.06 -0.08 -0.43 -0.55 8.34 7.21 3kfbG1 PHE 476 HA 0.00 0.23 0.72 -0.75 4.62 4.82 3kfbG1 PHE 476 HB2 0.00 -0.05 0.03 -0.04 3.15 3.09 3kfbG1 PHE 476 HB3 0.00 0.06 0.02 -0.04 3.06 3.10 3kfbG1 PHE 476 HD2 0.00 0.03 -0.01 -0.04 7.28 7.26 3kfbG1 PHE 476 HE2 0.00 0.02 -0.02 -0.04 7.38 7.34 3kfbG1 PHE 476 HZ -0.00 -0.08 0.02 -0.04 7.32 7.22 3kfbG1 THR 477 H 0.13 -0.05 -0.06 -0.55 8.28 7.75 3kfbG1 THR 477 HA 0.07 0.11 0.48 -0.75 4.39 4.30 3kfbG1 THR 477 HB 0.04 0.08 0.12 -0.04 4.32 4.52 3kfbG1 THR 477 HG23 0.03 -0.02 -0.02 -0.04 1.22 1.16 3kfbG1 GLY 478 H 0.01 0.71 -0.03 -0.55 8.43 8.58 3kfbG1 GLY 478 HA2 -0.01 0.01 0.25 -0.51 4.01 3.75 3kfbG1 GLY 478 HA3 0.01 0.19 0.77 -0.51 4.01 4.46 3kfbG1 ALA 479 H 0.02 0.11 -0.46 -0.55 8.40 7.53 3kfbG1 ALA 479 HA 0.01 0.16 0.63 -0.75 4.34 4.38 3kfbG1 ALA 479 HB3 0.01 0.01 0.00 -0.04 1.41 1.39 3kfbG1 VAL 480 H 0.01 0.14 0.09 -0.55 8.24 7.94 3kfbG1 VAL 480 HA 0.02 0.08 0.61 -0.75 4.13 4.09 3kfbG1 VAL 480 HB 0.02 -0.03 -0.08 -0.04 2.12 1.99 3kfbG1 VAL 480 HG13 0.02 0.01 0.03 -0.04 0.97 0.99 3kfbG1 VAL 480 HG23 0.04 0.01 -0.29 -0.04 0.95 0.67 3kfbG1 GLU 481 H 0.02 0.49 0.35 -0.55 8.60 8.91 3kfbG1 GLU 481 HA 0.02 0.18 0.73 -0.75 4.29 4.46 3kfbG1 GLU 481 HB2 0.03 0.02 -0.00 -0.04 2.09 2.09 3kfbG1 GLU 481 HB3 0.03 0.01 -0.15 -0.04 1.99 1.83 3kfbG1 GLU 481 HG2 0.02 -0.03 0.03 -0.04 2.34 2.32 3kfbG1 GLU 481 HG3 0.02 0.05 -0.10 -0.04 2.34 2.27 3kfbG1 ASP 482 H 0.01 0.18 0.12 -0.55 8.40 8.17 3kfbG1 ASP 482 HA 0.00 0.15 0.73 -0.75 4.63 4.76 3kfbG1 ASP 482 HB2 -0.00 0.08 0.11 -0.04 2.71 2.86 3kfbG1 ASP 482 HB3 0.00 -0.02 0.18 -0.04 2.70 2.82 3kfbG1 MET 483 H 0.02 0.85 0.42 -0.55 8.47 9.20 3kfbG1 MET 483 HA 0.03 0.04 0.25 -0.75 4.52 4.08 3kfbG1 MET 483 HB2 0.02 0.07 0.11 -0.04 2.15 2.32 3kfbG1 MET 483 HB3 0.03 -0.05 0.08 -0.04 2.03 2.05 3kfbG1 MET 483 HG2 0.03 0.04 0.03 -0.04 2.63 2.68 3kfbG1 MET 483 HG3 0.04 0.10 -0.13 -0.04 2.56 2.53 3kfbG1 MET 483 HE3 0.04 -0.02 -0.30 -0.04 2.10 1.77 3kfbG1 CYS 484 H 0.01 0.15 -0.06 -0.55 8.50 8.06 3kfbG1 CYS 484 HA 0.01 0.13 0.53 -0.75 4.58 4.49 3kfbG1 CYS 484 HB2 -0.00 -0.04 0.07 -0.04 2.97 2.96 3kfbG1 CYS 484 HB3 0.00 0.08 -0.04 -0.04 2.97 2.97 3kfbG1 GLU 485 H 0.00 0.08 -0.18 -0.55 8.60 7.96 3kfbG1 GLU 485 HA 0.00 0.13 0.44 -0.75 4.29 4.11 3kfbG1 GLU 485 HB2 0.00 0.04 0.05 -0.04 2.09 2.14 3kfbG1 GLU 485 HB3 0.00 0.04 0.05 -0.04 1.99 2.05 3kfbG1 GLU 485 HG2 -0.00 0.05 0.00 -0.04 2.34 2.35 3kfbG1 GLU 485 HG3 -0.00 -0.10 -0.00 -0.04 2.34 2.19 3kfbG1 ASN 486 H 0.01 0.08 -0.45 -0.55 8.53 7.63 3kfbG1 ASN 486 HA 0.01 0.11 0.56 -0.75 4.76 4.69 3kfbG1 ASN 486 HB2 0.03 -0.03 0.08 -0.04 2.88 2.92 3kfbG1 ASN 486 HB3 0.04 -0.02 -0.08 -0.04 2.79 2.68 3kfbG1 ASN 486 HD21 0.04 -0.06 -0.10 -0.04 7.03 6.87 3kfbG1 ASN 486 HD22 0.05 -0.04 -0.12 -0.04 7.74 7.59 3kfbG1 GLY 487 H 0.01 0.23 -0.16 -0.55 8.43 7.97 3kfbG1 GLY 487 HA2 0.01 0.06 0.21 -0.51 4.01 3.78 3kfbG1 GLY 487 HA3 0.01 0.17 0.76 -0.51 4.01 4.44 3kfbG1 VAL 488 H 0.02 0.49 0.18 -0.55 8.24 8.38 3kfbG1 VAL 488 HA 0.03 0.24 0.94 -0.75 4.13 4.59 3kfbG1 VAL 488 HB 0.03 -0.06 0.17 -0.04 2.12 2.21 3kfbG1 VAL 488 HG13 0.03 -0.02 -0.12 -0.04 0.97 0.82 3kfbG1 VAL 488 HG23 0.05 0.01 -0.15 -0.04 0.95 0.82 3kfbG1 VAL 489 H 0.02 0.37 0.09 -0.55 8.24 8.17 3kfbG1 VAL 489 HA 0.01 0.12 1.02 -0.75 4.13 4.53 3kfbG1 VAL 489 HB 0.01 0.05 -0.15 -0.04 2.12 1.99 3kfbG1 VAL 489 HG13 0.01 -0.02 -0.37 -0.04 0.97 0.55 3kfbG1 VAL 489 HG23 0.01 0.01 -0.27 -0.04 0.95 0.65 3kfbG1 GLU 490 H 0.01 0.78 0.29 -0.55 8.60 9.13 3kfbG1 GLU 490 HA 0.01 0.25 0.94 -0.75 4.29 4.73 3kfbG1 GLU 490 HB2 0.01 -0.04 -0.08 -0.04 2.09 1.94 3kfbG1 GLU 490 HB3 0.01 0.03 0.02 -0.04 1.99 2.01 3kfbG1 GLU 490 HG2 0.01 0.02 -0.10 -0.04 2.34 2.23 3kfbG1 GLU 490 HG3 0.01 0.08 -0.52 -0.04 2.34 1.87 3kfbG1 PRO 491 HA 0.00 0.22 0.64 -0.51 4.44 4.80 3kfbG1 PRO 491 HB2 0.00 -0.18 0.04 -0.04 2.28 2.10 3kfbG1 PRO 491 HB3 0.00 0.13 0.03 -0.04 2.02 2.15 3kfbG1 PRO 491 HG2 0.00 0.02 0.16 -0.04 2.03 2.16 3kfbG1 PRO 491 HG3 0.00 0.25 0.11 -0.04 2.03 2.35 3kfbG1 PRO 491 HD2 0.00 0.03 0.21 -0.04 3.68 3.88 3kfbG1 PRO 491 HD3 0.00 0.24 0.20 -0.04 3.65 4.06 3kfbG1 LEU 492 H 0.00 0.75 0.33 -0.55 8.37 8.91 3kfbG1 LEU 492 HA 0.00 0.04 0.29 -0.75 4.35 3.93 3kfbG1 LEU 492 HB2 0.00 0.08 -0.15 -0.04 1.64 1.53 3kfbG1 LEU 492 HB3 0.00 0.02 0.05 -0.04 1.64 1.67 3kfbG1 LEU 492 HG 0.00 -0.11 -0.16 -0.04 1.64 1.32 3kfbG1 LEU 492 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 3kfbG1 LEU 492 HD23 -0.00 0.03 -0.10 -0.04 0.89 0.77 3kfbG1 ARG 493 H 0.00 0.15 -0.28 -0.55 8.46 7.77 3kfbG1 ARG 493 HA 0.00 0.05 0.29 -0.75 4.34 3.93 3kfbG1 ARG 493 HB2 0.00 0.05 0.11 -0.04 1.90 2.03 3kfbG1 ARG 493 HB3 0.00 0.04 0.01 -0.04 1.80 1.81 3kfbG1 ARG 493 HG2 0.00 -0.08 0.03 -0.04 1.67 1.58 3kfbG1 ARG 493 HG3 0.00 -0.00 0.05 -0.04 1.67 1.68 3kfbG1 ARG 493 HD2 0.00 0.09 0.05 -0.04 3.22 3.31 3kfbG1 ARG 493 HD3 0.00 0.04 0.02 -0.04 3.22 3.24 3kfbG1 VAL 494 H 0.00 0.34 -0.42 -0.55 8.24 7.62 3kfbG1 VAL 494 HA 0.00 0.12 0.41 -0.75 4.13 3.90 3kfbG1 VAL 494 HB 0.00 0.11 0.00 -0.04 2.12 2.20 3kfbG1 VAL 494 HG13 -0.00 -0.00 -0.18 -0.04 0.97 0.75 3kfbG1 VAL 494 HG23 0.00 0.00 -0.00 -0.04 0.95 0.91 3kfbG1 LYS 495 H 0.00 0.33 -0.20 -0.55 8.42 8.00 3kfbG1 LYS 495 HA -0.00 0.07 0.56 -0.75 4.32 4.19 3kfbG1 LYS 495 HB2 0.00 0.14 0.06 -0.04 1.87 2.02 3kfbG1 LYS 495 HB3 0.00 0.01 -0.04 -0.04 1.79 1.72 3kfbG1 LYS 495 HG2 0.00 0.02 -0.08 -0.04 1.46 1.36 3kfbG1 LYS 495 HG3 0.00 0.03 -0.08 -0.04 1.46 1.37 3kfbG1 LYS 495 HD2 -0.00 0.01 -0.09 -0.04 1.69 1.56 3kfbG1 LYS 495 HD3 -0.00 -0.00 -0.18 -0.04 1.68 1.45 3kfbG1 LYS 495 HE2 0.00 0.03 -0.13 -0.04 2.99 2.85 3kfbG1 LYS 495 HE3 0.00 0.02 -0.11 -0.04 2.99 2.86 3kfbG1 THR 496 H 0.00 0.51 0.04 -0.55 8.28 8.29 3kfbG1 THR 496 HA 0.01 0.08 0.34 -0.75 4.39 4.07 3kfbG1 THR 496 HB 0.00 0.01 0.00 -0.04 4.32 4.29 3kfbG1 THR 496 HG23 0.00 0.05 0.01 -0.04 1.22 1.24 3kfbG1 GLN 497 H 0.00 0.40 -0.22 -0.55 8.47 8.11 3kfbG1 GLN 497 HA 0.01 0.06 0.60 -0.75 4.36 4.27 3kfbG1 GLN 497 HB2 0.00 0.05 0.11 -0.04 2.15 2.28 3kfbG1 GLN 497 HB3 0.00 0.10 0.11 -0.04 2.02 2.19 3kfbG1 GLN 497 HG2 0.00 0.00 -0.02 -0.04 2.40 2.35 3kfbG1 GLN 497 HG3 0.01 -0.08 -0.24 -0.04 2.39 2.04 3kfbG1 GLN 497 HE21 0.01 0.02 -0.00 -0.04 6.97 6.95 3kfbG1 GLN 497 HE22 0.01 -0.08 -0.01 -0.04 7.69 7.57 3kfbG1 ALA 498 H 0.00 0.36 -0.26 -0.55 8.40 7.96 3kfbG1 ALA 498 HA -0.00 0.01 0.44 -0.75 4.34 4.03 3kfbG1 ALA 498 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 3kfbG1 ILE 499 H 0.01 0.50 -0.34 -0.55 8.25 7.88 3kfbG1 ILE 499 HA 0.01 0.04 0.45 -0.75 4.18 3.92 3kfbG1 ILE 499 HB 0.04 0.10 0.09 -0.04 1.89 2.09 3kfbG1 ILE 499 HG12 0.01 -0.05 -0.03 -0.04 1.49 1.38 3kfbG1 ILE 499 HG13 0.01 0.03 0.00 -0.04 1.21 1.21 3kfbG1 ILE 499 HG23 0.18 -0.01 -0.12 -0.04 0.93 0.94 3kfbG1 ILE 499 HD13 0.04 -0.01 -0.08 -0.04 0.88 0.79 3kfbG1 GLN 500 H 0.03 0.47 -0.11 -0.55 8.47 8.30 3kfbG1 GLN 500 HA 0.05 0.03 0.40 -0.75 4.36 4.09 3kfbG1 GLN 500 HB2 0.02 0.15 0.18 -0.04 2.15 2.46 3kfbG1 GLN 500 HB3 0.02 0.02 0.17 -0.04 2.02 2.19 3kfbG1 GLN 500 HG2 0.01 0.01 -0.01 -0.04 2.40 2.37 3kfbG1 GLN 500 HG3 0.02 -0.05 -0.10 -0.04 2.39 2.21 3kfbG1 GLN 500 HE21 0.00 0.00 -0.04 -0.04 6.97 6.90 3kfbG1 GLN 500 HE22 0.01 -0.01 -0.03 -0.04 7.69 7.62 3kfbG1 SER 501 H 0.02 0.67 -0.04 -0.55 8.46 8.56 3kfbG1 SER 501 HA 0.02 0.03 0.47 -0.75 4.49 4.26 3kfbG1 SER 501 HB2 0.01 -0.06 0.06 -0.04 3.95 3.91 3kfbG1 SER 501 HB3 0.01 0.02 0.07 -0.04 3.93 3.99 3kfbG1 ALA 502 H 0.01 0.43 -0.30 -0.55 8.40 8.00 3kfbG1 ALA 502 HA 0.01 0.00 0.61 -0.75 4.34 4.20 3kfbG1 ALA 502 HB3 -0.04 0.05 0.12 -0.04 1.41 1.50 3kfbG1 ALA 503 H 0.07 0.50 -0.23 -0.55 8.40 8.19 3kfbG1 ALA 503 HA 0.15 0.03 0.48 -0.75 4.34 4.25 3kfbG1 ALA 503 HB3 0.19 0.03 0.10 -0.04 1.41 1.69 3kfbG1 GLU 504 H 0.06 0.50 -0.09 -0.55 8.60 8.53 3kfbG1 GLU 504 HA 0.06 0.06 0.40 -0.75 4.29 4.06 3kfbG1 GLU 504 HB2 0.04 0.06 0.10 -0.04 2.09 2.25 3kfbG1 GLU 504 HB3 0.03 -0.04 -0.02 -0.04 1.99 1.92 3kfbG1 GLU 504 HG2 0.04 -0.04 0.00 -0.04 2.34 2.30 3kfbG1 GLU 504 HG3 0.04 0.10 0.04 -0.04 2.34 2.48 3kfbG1 SER 505 H 0.04 0.40 -0.18 -0.55 8.46 8.18 3kfbG1 SER 505 HA 0.04 0.10 0.65 -0.75 4.49 4.53 3kfbG1 SER 505 HB2 0.03 0.00 0.06 -0.04 3.95 4.00 3kfbG1 SER 505 HB3 0.02 0.02 0.10 -0.04 3.93 4.04 3kfbG1 THR 506 H 0.07 0.47 -0.14 -0.55 8.28 8.12 3kfbG1 THR 506 HA 0.06 0.02 0.58 -0.75 4.39 4.30 3kfbG1 THR 506 HB 0.13 -0.06 0.01 -0.04 4.32 4.36 3kfbG1 THR 506 HG23 0.03 0.02 0.10 -0.04 1.22 1.33 3kfbG1 GLU 507 H 0.11 0.41 -0.34 -0.55 8.60 8.24 3kfbG1 GLU 507 HA 0.10 0.02 0.52 -0.75 4.29 4.18 3kfbG1 GLU 507 HB2 0.08 0.10 0.10 -0.04 2.09 2.33 3kfbG1 GLU 507 HB3 0.07 -0.06 0.03 -0.04 1.99 1.98 3kfbG1 GLU 507 HG2 0.18 -0.10 0.05 -0.04 2.34 2.43 3kfbG1 GLU 507 HG3 0.22 0.26 0.09 -0.04 2.34 2.86 3kfbG1 MET 508 H 0.05 0.23 -0.62 -0.55 8.47 7.58 3kfbG1 MET 508 HA 0.03 0.09 0.45 -0.75 4.52 4.34 3kfbG1 MET 508 HB2 0.03 0.03 0.07 -0.04 2.15 2.24 3kfbG1 MET 508 HB3 0.04 0.16 0.19 -0.04 2.03 2.38 3kfbG1 MET 508 HG2 0.03 -0.01 -0.36 -0.04 2.63 2.25 3kfbG1 MET 508 HG3 0.03 -0.05 -0.05 -0.04 2.56 2.44 3kfbG1 MET 508 HE3 0.02 -0.01 -0.01 -0.04 2.10 2.06 3kfbG1 LEU 509 H 0.04 0.47 0.07 -0.55 8.37 8.40 3kfbG1 LEU 509 HA 0.03 0.02 0.50 -0.75 4.35 4.14 3kfbG1 LEU 509 HB2 0.03 0.06 0.12 -0.04 1.64 1.82 3kfbG1 LEU 509 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.52 3kfbG1 LEU 509 HG 0.03 0.09 0.06 -0.04 1.64 1.78 3kfbG1 LEU 509 HD13 0.02 -0.01 -0.09 -0.04 0.93 0.81 3kfbG1 LEU 509 HD23 0.03 -0.02 0.01 -0.04 0.89 0.87 3kfbG1 LEU 510 H 0.03 0.41 -0.32 -0.55 8.37 7.94 3kfbG1 LEU 510 HA -0.01 0.03 0.38 -0.75 4.35 4.00 3kfbG1 LEU 510 HB2 -0.01 0.10 0.05 -0.04 1.64 1.74 3kfbG1 LEU 510 HB3 -0.05 -0.07 0.04 -0.04 1.64 1.52 3kfbG1 LEU 510 HG 0.02 0.08 0.08 -0.04 1.64 1.77 3kfbG1 LEU 510 HD13 -0.11 -0.01 -0.08 -0.04 0.93 0.69 3kfbG1 LEU 510 HD23 -0.03 -0.02 0.00 -0.04 0.89 0.79 3kfbG1 ARG 511 H 0.02 0.24 -0.55 -0.55 8.46 7.61 3kfbG1 ARG 511 HA 0.01 -0.01 0.47 -0.75 4.34 4.06 3kfbG1 ARG 511 HB2 0.02 0.22 0.10 -0.04 1.90 2.20 3kfbG1 ARG 511 HB3 0.02 -0.10 0.06 -0.04 1.80 1.74 3kfbG1 ARG 511 HG2 0.03 -0.11 -0.01 -0.04 1.67 1.54 3kfbG1 ARG 511 HG3 0.02 0.39 0.12 -0.04 1.67 2.16 3kfbG1 ARG 511 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.16 3kfbG1 ARG 511 HD3 0.03 0.01 0.01 -0.04 3.22 3.22 3kfbG1 ILE 512 H 0.02 0.43 -0.37 -0.55 8.25 7.77 3kfbG1 ILE 512 HA 0.02 0.00 0.69 -0.75 4.18 4.14 3kfbG1 ILE 512 HB 0.03 0.18 0.14 -0.04 1.89 2.20 3kfbG1 ILE 512 HG12 0.03 -0.05 0.03 -0.04 1.49 1.46 3kfbG1 ILE 512 HG13 0.02 0.16 0.04 -0.04 1.21 1.39 3kfbG1 ILE 512 HG23 0.04 -0.04 -0.12 -0.04 0.93 0.76 3kfbG1 ILE 512 HD13 0.03 -0.04 0.02 -0.04 0.88 0.86 3kfbG1 ASP 513 H 0.02 0.02 0.26 -0.55 8.40 8.14 3kfbG1 ASP 513 HA 0.01 0.22 0.87 -0.75 4.63 4.97 3kfbG1 ASP 513 HB2 -0.01 -0.08 0.15 -0.04 2.71 2.73 3kfbG1 ASP 513 HB3 -0.01 0.13 -0.13 -0.04 2.70 2.65 3kfbG1 ASP 514 H 0.02 0.14 0.22 -0.55 8.40 8.23 3kfbG1 ASP 514 HA 0.04 0.24 0.89 -0.75 4.63 5.04 3kfbG1 ASP 514 HB2 0.01 -0.01 -0.13 -0.04 2.71 2.55 3kfbG1 ASP 514 HB3 0.01 0.00 0.06 -0.04 2.70 2.74 3kfbG1 VAL 515 H 0.05 0.34 0.28 -0.55 8.24 8.36 3kfbG1 VAL 515 HA 0.03 0.23 1.00 -0.75 4.13 4.63 3kfbG1 VAL 515 HB 0.20 -0.11 0.10 -0.04 2.12 2.26 3kfbG1 VAL 515 HG13 0.07 0.01 -0.09 -0.04 0.97 0.92 3kfbG1 VAL 515 HG23 0.12 0.01 -0.16 -0.04 0.95 0.88 3kfbG1 ILE 516 H -0.00 0.22 0.10 -0.55 8.25 8.02 3kfbG1 ILE 516 HA -0.08 0.28 1.09 -0.75 4.18 4.72 3kfbG1 ILE 516 HB -0.02 -0.01 0.17 -0.04 1.89 1.99 3kfbG1 ILE 516 HG12 -0.04 0.07 -0.09 -0.04 1.49 1.39 3kfbG1 ILE 516 HG13 -0.02 -0.14 -0.50 -0.04 1.21 0.51 3kfbG1 ILE 516 HG23 -0.03 0.00 -0.10 -0.04 0.93 0.75 3kfbG1 ILE 516 HD13 -0.01 0.01 -0.05 -0.04 0.88 0.78 3kfbG1 ALA 517 H -0.11 0.66 0.28 -0.55 8.40 8.69 3kfbG1 ALA 517 HA -0.03 0.13 0.92 -0.75 4.34 4.60 3kfbG1 ALA 517 HB3 -0.04 0.01 0.05 -0.04 1.41 1.39 3kfbG1 ALA 518 H -0.02 0.15 0.19 -0.55 8.40 8.18 3kfbG1 ALA 518 HA -0.03 0.11 0.69 -0.75 4.34 4.35 3kfbG1 ALA 518 HB3 -0.02 0.01 0.06 -0.04 1.41 1.42 3kfbG1 GLU 519 H -0.02 0.15 0.05 -0.55 8.60 8.24 3kfbG1 GLU 519 HA -0.01 0.06 0.20 -0.75 4.29 3.78 3kfbG1 GLU 519 HB2 -0.01 -0.05 -0.21 -0.04 2.09 1.77 3kfbG1 GLU 519 HB3 -0.01 0.13 0.07 -0.04 1.99 2.14 3kfbG1 GLU 519 HG2 -0.01 0.01 0.05 -0.04 2.34 2.35 3kfbG1 GLU 519 HG3 -0.01 -0.01 0.03 -0.04 2.34 2.31