============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 4 0.900 -5.850 -13.128 10.654 -99.200 -91.000 TRP 19 1.040 5.755 -5.411 -9.948 -99.200 -91.000 TRP6 19 1.020 4.912 -7.297 -8.812 -99.200 -91.000 TRP 28 1.040 4.176 4.491 -2.709 -99.200 -91.000 TRP6 28 1.020 4.445 3.306 -0.685 -99.200 -91.000 PHE 32 1.000 -2.493 6.449 0.831 -99.200 -91.000 TYR 35 0.840 1.855 6.863 4.245 -99.200 -91.000 PHE 50 1.000 8.404 1.681 2.444 -99.200 -91.000 HIS 55 0.900 -1.751 13.380 7.924 -99.200 -91.000 TRP 63 1.040 2.055 10.911 14.102 -99.200 -91.000 TRP6 63 1.020 0.775 9.250 15.183 -99.200 -91.000 TRP 65 1.040 5.156 3.791 9.637 -99.200 -91.000 TRP6 65 1.020 3.517 5.486 9.627 -99.200 -91.000 PHE 88 1.000 -2.916 -1.280 14.391 -99.200 -91.000 TYR 90 0.840 4.541 -8.348 11.575 -99.200 -91.000 TRP 95 1.040 0.365 -3.041 -0.830 -99.200 -91.000 TRP6 95 1.020 1.500 -1.187 -1.745 -99.200 -91.000 TYR 97 0.840 0.114 -5.686 -7.390 -99.200 -91.000 TRP 108 1.040 -3.707 -2.440 -1.094 -99.200 -91.000 TRP6 108 1.020 -2.834 -0.587 0.076 -99.200 -91.000 PHE 112 1.000 -5.316 -5.280 11.851 -99.200 -91.000 TRP 124 1.040 -13.763 -0.938 18.024 -99.200 -91.000 TRP6 124 1.020 -15.237 0.890 18.216 -99.200 -91.000 HIS 162 0.900 24.138 14.578 -38.102 -99.200 -91.000 HIS 163 0.900 27.855 20.059 -39.053 -99.200 -91.000 HIS 164 0.900 20.132 22.347 -35.196 -99.200 -91.000 HIS 165 0.900 24.130 28.728 -41.800 -99.200 -91.000 HIS 166 0.900 19.549 21.639 -44.869 -99.200 -91.000 HIS 167 0.900 14.066 23.037 -39.992 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kf2A17 MET 1 HA 0.01 0.02 0.18 -0.75 4.52 3.98 2kf2A17 MET 1 HB2 0.01 -0.13 0.19 -0.04 2.15 2.18 2kf2A17 MET 1 HB3 0.02 0.02 0.10 -0.04 2.03 2.13 2kf2A17 MET 1 HG2 0.02 -0.08 -0.02 -0.04 2.63 2.51 2kf2A17 MET 1 HG3 -0.03 0.09 -0.19 -0.04 2.56 2.39 2kf2A17 MET 1 HE3 0.02 0.00 0.03 -0.04 2.10 2.11 2kf2A17 ALA 2 H -0.05 0.11 0.14 -0.55 8.40 8.06 2kf2A17 ALA 2 HA -0.16 0.12 1.03 -0.75 4.34 4.57 2kf2A17 ALA 2 HB3 -0.17 0.01 0.06 -0.04 1.41 1.27 2kf2A17 GLY 3 H -0.58 0.48 0.35 -0.55 8.43 8.15 2kf2A17 GLY 3 HA2 -0.42 0.06 0.58 -0.51 4.01 3.71 2kf2A17 GLY 3 HA3 -1.45 -0.02 0.40 -0.51 4.01 2.43 2kf2A17 HIS 4 H -0.24 0.25 0.17 -0.55 8.41 8.04 2kf2A17 HIS 4 HA -0.10 0.17 0.96 -0.75 4.63 4.90 2kf2A17 HIS 4 HB2 -0.03 -0.00 0.22 -0.04 3.26 3.41 2kf2A17 HIS 4 HB3 -0.02 -0.00 0.02 -0.04 3.20 3.16 2kf2A17 HIS 4 HD2 -0.04 0.01 0.05 -0.04 6.97 6.95 2kf2A17 HIS 4 HE1 -0.02 -0.01 -0.10 -0.04 7.75 7.58 2kf2A17 THR 5 H 0.09 0.69 0.07 -0.55 8.28 8.58 2kf2A17 THR 5 HA 0.11 0.13 0.84 -0.75 4.39 4.73 2kf2A17 THR 5 HB 0.27 0.01 0.23 -0.04 4.32 4.79 2kf2A17 THR 5 HG23 0.14 -0.00 -0.07 -0.04 1.22 1.25 2kf2A17 ASP 6 H 0.09 0.25 0.09 -0.55 8.40 8.28 2kf2A17 ASP 6 HA 0.12 0.17 0.89 -0.75 4.63 5.06 2kf2A17 ASP 6 HB2 0.07 -0.01 -0.09 -0.04 2.71 2.65 2kf2A17 ASP 6 HB3 0.06 0.02 0.14 -0.04 2.70 2.87 2kf2A17 ASN 7 H 0.14 0.77 0.10 -0.55 8.53 9.00 2kf2A17 ASN 7 HA 0.03 0.15 0.93 -0.75 4.76 5.12 2kf2A17 ASN 7 HB2 0.07 0.04 0.19 -0.04 2.88 3.14 2kf2A17 ASN 7 HB3 -0.04 0.01 -0.02 -0.04 2.79 2.70 2kf2A17 ASN 7 HD21 0.03 0.11 -0.08 -0.04 7.03 7.04 2kf2A17 ASN 7 HD22 0.05 -0.02 -0.13 -0.04 7.74 7.60 2kf2A17 GLU 8 H 0.01 0.22 0.12 -0.55 8.60 8.41 2kf2A17 GLU 8 HA 0.03 0.15 0.74 -0.75 4.29 4.46 2kf2A17 GLU 8 HB2 0.01 0.00 0.05 -0.04 2.09 2.11 2kf2A17 GLU 8 HB3 0.02 0.01 -0.13 -0.04 1.99 1.84 2kf2A17 GLU 8 HG2 0.04 -0.01 -0.22 -0.04 2.34 2.12 2kf2A17 GLU 8 HG3 0.03 0.02 -0.18 -0.04 2.34 2.18 2kf2A17 ILE 9 H -0.02 0.78 0.26 -0.55 8.25 8.72 2kf2A17 ILE 9 HA -0.04 0.12 0.83 -0.75 4.18 4.34 2kf2A17 ILE 9 HB -0.13 0.01 -0.13 -0.04 1.89 1.60 2kf2A17 ILE 9 HG12 -0.07 0.03 -0.40 -0.04 1.49 1.01 2kf2A17 ILE 9 HG13 -0.07 -0.01 0.01 -0.04 1.21 1.10 2kf2A17 ILE 9 HG23 -0.17 0.00 0.06 -0.04 0.93 0.77 2kf2A17 ILE 9 HD13 -0.13 0.01 -0.20 -0.04 0.88 0.52 2kf2A17 THR 10 H -0.02 0.17 0.06 -0.55 8.28 7.95 2kf2A17 THR 10 HA 0.02 0.05 0.59 -0.75 4.39 4.30 2kf2A17 THR 10 HB 0.00 0.02 0.03 -0.04 4.32 4.33 2kf2A17 THR 10 HG23 0.02 0.00 -0.38 -0.04 1.22 0.83 2kf2A17 ILE 11 H 0.04 0.80 0.35 -0.55 8.25 8.89 2kf2A17 ILE 11 HA 0.00 0.14 0.90 -0.75 4.18 4.47 2kf2A17 ILE 11 HB 0.07 0.05 0.21 -0.04 1.89 2.18 2kf2A17 ILE 11 HG12 -0.02 0.01 -0.08 -0.04 1.49 1.36 2kf2A17 ILE 11 HG13 0.01 0.07 -0.05 -0.04 1.21 1.20 2kf2A17 ILE 11 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.74 2kf2A17 ILE 11 HD13 0.03 -0.01 -0.02 -0.04 0.88 0.84 2kf2A17 ALA 12 H 0.01 0.21 0.07 -0.55 8.40 8.14 2kf2A17 ALA 12 HA 0.02 0.14 0.70 -0.75 4.34 4.45 2kf2A17 ALA 12 HB3 0.01 0.02 0.16 -0.04 1.41 1.55 2kf2A17 ALA 13 H 0.04 0.45 0.03 -0.55 8.40 8.37 2kf2A17 ALA 13 HA 0.02 0.17 0.55 -0.75 4.34 4.33 2kf2A17 ALA 13 HB3 0.03 0.02 -0.17 -0.04 1.41 1.25 2kf2A17 PRO 14 HA 0.03 0.09 0.50 -0.51 4.44 4.54 2kf2A17 PRO 14 HB2 0.02 -0.14 0.02 -0.04 2.28 2.15 2kf2A17 PRO 14 HB3 0.02 0.12 0.13 -0.04 2.02 2.24 2kf2A17 PRO 14 HG2 0.03 -0.09 0.14 -0.04 2.03 2.07 2kf2A17 PRO 14 HG3 0.02 0.16 0.11 -0.04 2.03 2.27 2kf2A17 PRO 14 HD2 0.03 0.15 0.23 -0.04 3.68 4.05 2kf2A17 PRO 14 HD3 0.02 0.21 0.14 -0.04 3.65 3.97 2kf2A17 MET 15 H 0.03 0.21 0.18 -0.55 8.47 8.35 2kf2A17 MET 15 HA 0.06 0.09 0.25 -0.75 4.52 4.17 2kf2A17 MET 15 HB2 -0.00 0.00 0.07 -0.04 2.15 2.18 2kf2A17 MET 15 HB3 0.02 0.04 0.04 -0.04 2.03 2.10 2kf2A17 MET 15 HG2 0.09 0.03 0.03 -0.04 2.63 2.74 2kf2A17 MET 15 HG3 0.04 -0.02 0.11 -0.04 2.56 2.65 2kf2A17 MET 15 HE3 0.08 0.01 -0.05 -0.04 2.10 2.09 2kf2A17 GLU 16 H 0.02 0.04 -0.38 -0.55 8.60 7.73 2kf2A17 GLU 16 HA 0.01 0.08 0.34 -0.75 4.29 3.96 2kf2A17 GLU 16 HB2 0.02 -0.06 0.06 -0.04 2.09 2.07 2kf2A17 GLU 16 HB3 0.02 0.08 -0.02 -0.04 1.99 2.03 2kf2A17 GLU 16 HG2 -0.01 0.05 0.03 -0.04 2.34 2.36 2kf2A17 GLU 16 HG3 -0.00 -0.11 0.04 -0.04 2.34 2.23 2kf2A17 LEU 17 H 0.05 0.20 -0.14 -0.55 8.37 7.93 2kf2A17 LEU 17 HA 0.07 0.09 0.31 -0.75 4.35 4.07 2kf2A17 LEU 17 HB2 0.04 -0.00 0.04 -0.04 1.64 1.68 2kf2A17 LEU 17 HB3 0.05 0.06 0.02 -0.04 1.64 1.72 2kf2A17 LEU 17 HG 0.05 -0.01 -0.14 -0.04 1.64 1.51 2kf2A17 LEU 17 HD13 0.05 0.00 -0.05 -0.04 0.93 0.89 2kf2A17 LEU 17 HD23 0.03 0.03 -0.17 -0.04 0.89 0.75 2kf2A17 VAL 18 H 0.07 0.33 -0.24 -0.55 8.24 7.85 2kf2A17 VAL 18 HA 0.08 0.05 0.31 -0.75 4.13 3.81 2kf2A17 VAL 18 HB 0.06 -0.02 0.04 -0.04 2.12 2.16 2kf2A17 VAL 18 HG13 0.14 0.00 -0.16 -0.04 0.97 0.91 2kf2A17 VAL 18 HG23 0.07 0.10 -0.19 -0.04 0.95 0.89 2kf2A17 TRP 19 H 0.16 0.65 -0.14 -0.55 7.97 8.10 2kf2A17 TRP 19 HA -0.22 0.03 0.27 -0.75 4.62 3.94 2kf2A17 TRP 19 HB2 -0.25 -0.01 0.08 -0.04 3.23 3.01 2kf2A17 TRP 19 HB3 -0.09 0.09 0.10 -0.04 3.23 3.29 2kf2A17 TRP 19 HD1 -0.01 0.02 -0.35 -0.04 7.22 6.84 2kf2A17 TRP 19 HE1 0.01 0.01 -0.12 -0.04 10.20 10.06 2kf2A17 TRP 19 HE3 -0.49 -0.00 -0.04 -0.04 7.59 7.01 2kf2A17 TRP 19 HZ2 0.04 -0.04 -0.46 -0.04 7.44 6.95 2kf2A17 TRP 19 HZ3 0.15 0.07 -0.04 -0.04 7.13 7.26 2kf2A17 TRP 19 HH2 0.10 0.04 -0.43 -0.04 7.19 6.86 2kf2A17 THR 20 H 0.22 0.43 -0.18 -0.55 8.28 8.21 2kf2A17 THR 20 HA 0.24 0.02 0.22 -0.75 4.39 4.11 2kf2A17 THR 20 HB 0.14 0.07 0.12 -0.04 4.32 4.61 2kf2A17 THR 20 HG23 0.08 -0.00 -0.07 -0.04 1.22 1.19 2kf2A17 MET 21 H 0.11 0.43 -0.42 -0.55 8.47 8.04 2kf2A17 MET 21 HA 0.10 0.09 0.62 -0.75 4.52 4.57 2kf2A17 MET 21 HB2 0.08 -0.02 0.04 -0.04 2.15 2.20 2kf2A17 MET 21 HB3 0.09 0.07 0.08 -0.04 2.03 2.23 2kf2A17 MET 21 HG2 0.12 -0.00 -0.25 -0.04 2.63 2.46 2kf2A17 MET 21 HG3 0.10 -0.03 -0.00 -0.04 2.56 2.60 2kf2A17 MET 21 HE3 0.05 -0.01 -0.05 -0.04 2.10 2.05 2kf2A17 THR 22 H 0.11 0.51 -0.02 -0.55 8.28 8.33 2kf2A17 THR 22 HA 0.32 0.05 0.33 -0.75 4.39 4.34 2kf2A17 THR 22 HB 0.41 -0.06 -0.03 -0.04 4.32 4.61 2kf2A17 THR 22 HG23 0.08 0.01 -0.00 -0.04 1.22 1.26 2kf2A17 ASN 23 H 0.07 0.37 -0.39 -0.55 8.53 8.03 2kf2A17 ASN 23 HA 0.04 0.06 0.47 -0.75 4.76 4.57 2kf2A17 ASN 23 HB2 -0.00 0.17 0.02 -0.04 2.88 3.03 2kf2A17 ASN 23 HB3 -0.01 -0.07 -0.05 -0.04 2.79 2.62 2kf2A17 ASN 23 HD21 -0.70 0.61 0.08 -0.04 7.03 6.97 2kf2A17 ASN 23 HD22 -1.45 -0.11 -0.09 -0.04 7.74 6.06 2kf2A17 ASP 24 H 0.09 0.24 -0.60 -0.55 8.40 7.58 2kf2A17 ASP 24 HA -0.09 0.01 0.71 -0.75 4.63 4.51 2kf2A17 ASP 24 HB2 0.03 0.13 0.15 -0.04 2.71 2.97 2kf2A17 ASP 24 HB3 0.06 0.13 0.25 -0.04 2.70 3.10 2kf2A17 ILE 25 H -0.38 0.33 0.12 -0.55 8.25 7.78 2kf2A17 ILE 25 HA -1.88 0.16 0.22 -0.75 4.18 1.92 2kf2A17 ILE 25 HB -1.95 -0.05 0.01 -0.04 1.89 -0.13 2kf2A17 ILE 25 HG12 -0.49 0.02 0.07 -0.04 1.49 1.05 2kf2A17 ILE 25 HG13 -0.55 0.03 -0.26 -0.04 1.21 0.38 2kf2A17 ILE 25 HG23 -1.31 0.08 -0.05 -0.04 0.93 -0.39 2kf2A17 ILE 25 HD13 -0.63 -0.01 -0.14 -0.04 0.88 0.06 2kf2A17 GLU 26 H -0.25 0.07 -0.34 -0.55 8.60 7.52 2kf2A17 GLU 26 HA -0.15 0.17 0.42 -0.75 4.29 3.97 2kf2A17 GLU 26 HB2 -0.07 0.00 -0.00 -0.04 2.09 1.97 2kf2A17 GLU 26 HB3 -0.05 0.04 0.07 -0.04 1.99 2.00 2kf2A17 GLU 26 HG2 -0.16 -0.08 0.03 -0.04 2.34 2.08 2kf2A17 GLU 26 HG3 -0.08 0.02 0.03 -0.04 2.34 2.26 2kf2A17 LYS 27 H -0.03 0.35 -0.56 -0.55 8.42 7.63 2kf2A17 LYS 27 HA 0.08 0.21 0.83 -0.75 4.32 4.68 2kf2A17 LYS 27 HB2 0.05 -0.05 -0.08 -0.04 1.87 1.74 2kf2A17 LYS 27 HB3 0.12 0.15 0.03 -0.04 1.79 2.05 2kf2A17 LYS 27 HG2 0.10 -0.04 0.08 -0.04 1.46 1.56 2kf2A17 LYS 27 HG3 0.07 0.01 0.06 -0.04 1.46 1.56 2kf2A17 LYS 27 HD2 0.05 -0.02 -0.03 -0.04 1.69 1.65 2kf2A17 LYS 27 HD3 0.07 0.02 -0.02 -0.04 1.68 1.71 2kf2A17 LYS 27 HE2 0.06 0.01 -0.03 -0.04 2.99 2.98 2kf2A17 LYS 27 HE3 0.05 0.01 -0.01 -0.04 2.99 2.99 2kf2A17 TRP 28 H 0.19 0.38 -0.29 -0.55 7.97 7.70 2kf2A17 TRP 28 HA 0.10 0.04 0.42 -0.75 4.62 4.43 2kf2A17 TRP 28 HB2 0.02 0.18 0.15 -0.04 3.23 3.54 2kf2A17 TRP 28 HB3 0.19 -0.08 -0.03 -0.04 3.23 3.26 2kf2A17 TRP 28 HD1 0.05 0.04 -0.12 -0.04 7.22 7.15 2kf2A17 TRP 28 HE1 0.12 0.44 -0.11 -0.04 10.20 10.62 2kf2A17 TRP 28 HE3 -0.13 -0.02 -0.06 -0.04 7.59 7.34 2kf2A17 TRP 28 HZ2 -0.13 0.08 -0.05 -0.04 7.44 7.29 2kf2A17 TRP 28 HZ3 -0.21 -0.05 -0.08 -0.04 7.13 6.76 2kf2A17 TRP 28 HH2 -0.33 -0.04 -0.08 -0.04 7.19 6.71 2kf2A17 PRO 29 HA 0.21 0.31 0.41 -0.51 4.44 4.86 2kf2A17 PRO 29 HB2 0.10 0.02 0.02 -0.04 2.28 2.38 2kf2A17 PRO 29 HB3 0.16 0.17 -0.05 -0.04 2.02 2.26 2kf2A17 PRO 29 HG2 0.10 0.05 -0.11 -0.04 2.03 2.04 2kf2A17 PRO 29 HG3 0.10 -0.01 -0.03 -0.04 2.03 2.05 2kf2A17 PRO 29 HD2 0.18 0.03 -0.25 -0.04 3.68 3.59 2kf2A17 PRO 29 HD3 0.25 0.04 -0.02 -0.04 3.65 3.87 2kf2A17 GLY 30 H 0.17 0.22 -1.02 -0.55 8.43 7.26 2kf2A17 GLY 30 HA2 0.07 0.13 0.73 -0.51 4.01 4.43 2kf2A17 GLY 30 HA3 0.09 0.01 0.24 -0.51 4.01 3.84 2kf2A17 LEU 31 H 0.16 0.33 0.04 -0.55 8.37 8.35 2kf2A17 LEU 31 HA 0.06 0.17 0.86 -0.75 4.35 4.69 2kf2A17 LEU 31 HB2 0.10 0.04 0.12 -0.04 1.64 1.86 2kf2A17 LEU 31 HB3 0.04 -0.09 0.01 -0.04 1.64 1.56 2kf2A17 LEU 31 HG 0.05 0.01 -0.06 -0.04 1.64 1.60 2kf2A17 LEU 31 HD13 0.11 -0.02 -0.18 -0.04 0.93 0.80 2kf2A17 LEU 31 HD23 0.05 -0.00 -0.08 -0.04 0.89 0.81 2kf2A17 PHE 32 H 0.24 0.76 0.28 -0.55 8.34 9.07 2kf2A17 PHE 32 HA -0.05 0.11 0.84 -0.75 4.62 4.77 2kf2A17 PHE 32 HB2 -0.06 0.03 0.02 -0.04 3.15 3.10 2kf2A17 PHE 32 HB3 0.11 -0.01 0.00 -0.04 3.06 3.13 2kf2A17 PHE 32 HD2 0.08 0.07 -0.02 -0.04 7.28 7.37 2kf2A17 PHE 32 HE2 -0.15 0.00 -0.03 -0.04 7.38 7.16 2kf2A17 PHE 32 HZ -0.06 0.01 -0.04 -0.04 7.32 7.19 2kf2A17 SER 33 H -0.45 0.14 0.12 -0.55 8.46 7.72 2kf2A17 SER 33 HA -0.12 0.28 0.32 -0.75 4.49 4.21 2kf2A17 SER 33 HB2 -0.19 0.01 0.08 -0.04 3.95 3.80 2kf2A17 SER 33 HB3 -0.13 0.07 -0.02 -0.04 3.93 3.81 2kf2A17 GLU 34 H -0.91 0.01 -0.32 -0.55 8.60 6.83 2kf2A17 GLU 34 HA -0.37 0.17 0.48 -0.75 4.29 3.82 2kf2A17 GLU 34 HB2 -0.95 -0.01 -0.01 -0.04 2.09 1.08 2kf2A17 GLU 34 HB3 -0.42 -0.00 0.02 -0.04 1.99 1.55 2kf2A17 GLU 34 HG2 -1.26 -0.09 -0.02 -0.04 2.34 0.93 2kf2A17 GLU 34 HG3 -0.47 0.01 -0.02 -0.04 2.34 1.82 2kf2A17 TYR 35 H -0.01 0.12 -0.21 -0.55 8.29 7.64 2kf2A17 TYR 35 HA 0.13 0.04 0.84 -0.75 4.56 4.81 2kf2A17 TYR 35 HB2 0.29 0.01 -0.12 -0.04 3.06 3.20 2kf2A17 TYR 35 HB3 0.16 0.09 -0.24 -0.04 2.98 2.95 2kf2A17 TYR 35 HD2 0.32 0.03 -0.21 -0.04 7.15 7.24 2kf2A17 TYR 35 HE2 0.30 0.02 -0.09 -0.04 6.85 7.04 2kf2A17 ALA 36 H 0.21 0.36 0.25 -0.55 8.40 8.67 2kf2A17 ALA 36 HA 0.10 0.15 0.56 -0.75 4.34 4.40 2kf2A17 ALA 36 HB3 0.10 -0.00 -0.05 -0.04 1.41 1.41 2kf2A17 SER 37 H 0.11 0.58 0.19 -0.55 8.46 8.80 2kf2A17 SER 37 HA 0.06 0.18 0.77 -0.75 4.49 4.74 2kf2A17 SER 37 HB2 0.02 -0.05 0.05 -0.04 3.95 3.93 2kf2A17 SER 37 HB3 0.01 -0.01 -0.03 -0.04 3.93 3.86 2kf2A17 VAL 38 H 0.00 0.27 0.06 -0.55 8.24 8.02 2kf2A17 VAL 38 HA -0.10 0.20 1.02 -0.75 4.13 4.49 2kf2A17 VAL 38 HB -0.16 0.14 0.17 -0.04 2.12 2.22 2kf2A17 VAL 38 HG13 -0.75 -0.04 -0.17 -0.04 0.97 -0.02 2kf2A17 VAL 38 HG23 0.18 -0.01 -0.13 -0.04 0.95 0.94 2kf2A17 GLU 39 H -0.07 0.52 0.20 -0.55 8.60 8.70 2kf2A17 GLU 39 HA -0.07 0.18 0.86 -0.75 4.29 4.51 2kf2A17 GLU 39 HB2 -0.04 -0.02 0.07 -0.04 2.09 2.06 2kf2A17 GLU 39 HB3 -0.03 0.06 -0.05 -0.04 1.99 1.92 2kf2A17 GLU 39 HG2 -0.03 0.06 -0.14 -0.04 2.34 2.19 2kf2A17 GLU 39 HG3 -0.03 -0.11 -0.42 -0.04 2.34 1.73 2kf2A17 VAL 40 H -0.07 0.20 0.14 -0.55 8.24 7.97 2kf2A17 VAL 40 HA -0.00 0.06 0.70 -0.75 4.13 4.13 2kf2A17 VAL 40 HB -0.05 0.02 0.13 -0.04 2.12 2.18 2kf2A17 VAL 40 HG13 -0.03 0.00 -0.17 -0.04 0.97 0.73 2kf2A17 VAL 40 HG23 -0.12 0.01 -0.02 -0.04 0.95 0.78 2kf2A17 LEU 41 H -0.01 0.42 0.50 -0.55 8.37 8.73 2kf2A17 LEU 41 HA -0.02 0.12 0.69 -0.75 4.35 4.38 2kf2A17 LEU 41 HB2 -0.04 0.06 0.06 -0.04 1.64 1.69 2kf2A17 LEU 41 HB3 -0.03 -0.03 0.02 -0.04 1.64 1.57 2kf2A17 LEU 41 HG -0.03 -0.02 -0.03 -0.04 1.64 1.52 2kf2A17 LEU 41 HD13 -0.04 -0.01 -0.12 -0.04 0.93 0.72 2kf2A17 LEU 41 HD23 -0.02 0.01 -0.14 -0.04 0.89 0.69 2kf2A17 GLY 42 H -0.02 0.57 0.34 -0.55 8.43 8.78 2kf2A17 GLY 42 HA2 -0.02 0.11 0.45 -0.51 4.01 4.04 2kf2A17 GLY 42 HA3 -0.02 0.04 0.36 -0.51 4.01 3.88 2kf2A17 ARG 43 H -0.01 0.26 0.22 -0.55 8.46 8.37 2kf2A17 ARG 43 HA -0.01 -0.05 0.72 -0.75 4.34 4.24 2kf2A17 ARG 43 HB2 -0.01 -0.02 0.01 -0.04 1.90 1.84 2kf2A17 ARG 43 HB3 -0.01 0.33 0.35 -0.04 1.80 2.43 2kf2A17 ARG 43 HG2 -0.01 0.04 -0.16 -0.04 1.67 1.49 2kf2A17 ARG 43 HG3 -0.02 -0.07 -0.30 -0.04 1.67 1.24 2kf2A17 ARG 43 HD2 -0.03 0.03 0.04 -0.04 3.22 3.22 2kf2A17 ARG 43 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.07 2kf2A17 ASP 44 H -0.01 0.70 0.28 -0.55 8.40 8.83 2kf2A17 ASP 44 HA -0.00 0.23 0.71 -0.75 4.63 4.81 2kf2A17 ASP 44 HB2 -0.00 -0.09 0.07 -0.04 2.71 2.66 2kf2A17 ASP 44 HB3 -0.00 -0.08 0.21 -0.04 2.70 2.79 2kf2A17 ASP 45 H 0.00 0.17 0.18 -0.55 8.40 8.20 2kf2A17 ASP 45 HA 0.01 0.13 0.40 -0.75 4.63 4.42 2kf2A17 ASP 45 HB2 0.01 -0.05 0.14 -0.04 2.71 2.77 2kf2A17 ASP 45 HB3 0.01 0.06 0.08 -0.04 2.70 2.81 2kf2A17 ASP 46 H 0.01 -0.03 -0.20 -0.55 8.40 7.63 2kf2A17 ASP 46 HA 0.03 0.30 0.89 -0.75 4.63 5.10 2kf2A17 ASP 46 HB2 0.02 -0.04 0.02 -0.04 2.71 2.67 2kf2A17 ASP 46 HB3 0.03 -0.01 0.16 -0.04 2.70 2.84 2kf2A17 LYS 47 H 0.01 0.21 -0.26 -0.55 8.42 7.82 2kf2A17 LYS 47 HA -0.00 0.34 1.02 -0.75 4.32 4.93 2kf2A17 LYS 47 HB2 -0.01 -0.14 0.01 -0.04 1.87 1.69 2kf2A17 LYS 47 HB3 -0.02 0.05 -0.08 -0.04 1.79 1.70 2kf2A17 LYS 47 HG2 0.00 -0.01 -0.43 -0.04 1.46 0.98 2kf2A17 LYS 47 HG3 -0.00 -0.03 -0.10 -0.04 1.46 1.28 2kf2A17 LYS 47 HD2 -0.01 0.07 -0.16 -0.04 1.69 1.55 2kf2A17 LYS 47 HD3 -0.01 0.00 -0.11 -0.04 1.68 1.53 2kf2A17 LYS 47 HE2 -0.03 0.00 -0.14 -0.04 2.99 2.78 2kf2A17 LYS 47 HE3 -0.03 0.02 -0.10 -0.04 2.99 2.84 2kf2A17 VAL 48 H -0.00 0.66 0.33 -0.55 8.24 8.68 2kf2A17 VAL 48 HA 0.00 0.09 0.83 -0.75 4.13 4.31 2kf2A17 VAL 48 HB -0.01 0.07 0.06 -0.04 2.12 2.19 2kf2A17 VAL 48 HG13 0.05 0.04 0.13 -0.04 0.97 1.14 2kf2A17 VAL 48 HG23 0.02 -0.01 -0.08 -0.04 0.95 0.85 2kf2A17 THR 49 H -0.01 0.60 0.33 -0.55 8.28 8.64 2kf2A17 THR 49 HA -0.18 0.17 1.04 -0.75 4.39 4.66 2kf2A17 THR 49 HB -0.05 -0.01 0.18 -0.04 4.32 4.40 2kf2A17 THR 49 HG23 -0.10 -0.01 -0.13 -0.04 1.22 0.95 2kf2A17 PHE 50 H -0.63 0.68 0.42 -0.55 8.34 8.25 2kf2A17 PHE 50 HA -0.13 0.01 1.22 -0.75 4.62 4.97 2kf2A17 PHE 50 HB2 -0.25 0.06 -0.09 -0.04 3.15 2.83 2kf2A17 PHE 50 HB3 -0.23 -0.05 -0.18 -0.04 3.06 2.56 2kf2A17 PHE 50 HD2 -0.24 -0.02 -0.27 -0.04 7.28 6.71 2kf2A17 PHE 50 HE2 -0.09 -0.03 -0.07 -0.04 7.38 7.14 2kf2A17 PHE 50 HZ 0.02 -0.02 -0.13 -0.04 7.32 7.14 2kf2A17 ARG 51 H 0.02 0.81 0.37 -0.55 8.46 9.11 2kf2A17 ARG 51 HA -0.15 0.23 1.03 -0.75 4.34 4.69 2kf2A17 ARG 51 HB2 -0.06 -0.03 -0.04 -0.04 1.90 1.73 2kf2A17 ARG 51 HB3 -0.06 -0.03 0.11 -0.04 1.80 1.78 2kf2A17 ARG 51 HG2 -0.12 -0.00 -0.45 -0.04 1.67 1.05 2kf2A17 ARG 51 HG3 -0.07 -0.04 -0.43 -0.04 1.67 1.10 2kf2A17 ARG 51 HD2 -0.02 0.05 -0.18 -0.04 3.22 3.03 2kf2A17 ARG 51 HD3 -0.03 -0.01 -0.12 -0.04 3.22 3.02 2kf2A17 LEU 52 H -0.45 0.74 0.30 -0.55 8.37 8.41 2kf2A17 LEU 52 HA -0.31 0.12 0.84 -0.75 4.35 4.24 2kf2A17 LEU 52 HB2 -1.55 0.03 0.24 -0.04 1.64 0.32 2kf2A17 LEU 52 HB3 -1.12 -0.00 0.05 -0.04 1.64 0.53 2kf2A17 LEU 52 HG 0.20 -0.02 -0.09 -0.04 1.64 1.69 2kf2A17 LEU 52 HD13 0.32 -0.00 -0.06 -0.04 0.93 1.15 2kf2A17 LEU 52 HD23 -0.63 0.01 -0.06 -0.04 0.89 0.17 2kf2A17 THR 53 H -0.14 0.58 0.31 -0.55 8.28 8.48 2kf2A17 THR 53 HA -0.07 0.09 0.73 -0.75 4.39 4.39 2kf2A17 THR 53 HB 0.01 -0.00 0.33 -0.04 4.32 4.62 2kf2A17 THR 53 HG23 0.04 0.01 -0.10 -0.04 1.22 1.13 2kf2A17 MET 54 H 0.05 0.81 0.22 -0.55 8.47 9.00 2kf2A17 MET 54 HA 0.32 -0.05 0.58 -0.75 4.52 4.61 2kf2A17 MET 54 HB2 0.29 0.05 0.13 -0.04 2.15 2.58 2kf2A17 MET 54 HB3 0.23 -0.05 0.10 -0.04 2.03 2.27 2kf2A17 MET 54 HG2 0.02 0.05 0.17 -0.04 2.63 2.82 2kf2A17 MET 54 HG3 0.07 0.02 0.00 -0.04 2.56 2.61 2kf2A17 MET 54 HE3 -0.06 -0.02 -0.04 -0.04 2.10 1.95 2kf2A17 HIS 55 H 0.21 0.42 0.28 -0.55 8.41 8.77 2kf2A17 HIS 55 HA 0.04 0.06 0.39 -0.75 4.63 4.36 2kf2A17 HIS 55 HB2 -0.02 0.04 0.02 -0.04 3.26 3.26 2kf2A17 HIS 55 HB3 -0.03 0.08 0.07 -0.04 3.20 3.27 2kf2A17 HIS 55 HD2 -0.07 0.07 -0.17 -0.04 6.97 6.76 2kf2A17 HIS 55 HE1 -0.17 -0.06 0.03 -0.04 7.75 7.50 2kf2A17 PRO 56 HA 0.11 0.02 0.38 -0.51 4.44 4.44 2kf2A17 PRO 56 HB2 0.07 0.08 -0.15 -0.04 2.28 2.25 2kf2A17 PRO 56 HB3 0.09 0.00 -0.03 -0.04 2.02 2.04 2kf2A17 PRO 56 HG2 0.07 0.01 0.06 -0.04 2.03 2.13 2kf2A17 PRO 56 HG3 0.07 0.03 0.04 -0.04 2.03 2.12 2kf2A17 PRO 56 HD2 0.11 0.07 0.19 -0.04 3.68 4.01 2kf2A17 PRO 56 HD3 0.09 0.16 0.16 -0.04 3.65 4.03 2kf2A17 ASP 57 H 0.12 0.54 0.21 -0.55 8.40 8.72 2kf2A17 ASP 57 HA 0.01 0.16 0.54 -0.75 4.63 4.59 2kf2A17 ASP 57 HB2 0.08 0.15 0.20 -0.04 2.71 3.09 2kf2A17 ASP 57 HB3 0.17 -0.17 0.13 -0.04 2.70 2.79 2kf2A17 ALA 58 H 0.04 0.17 0.17 -0.55 8.40 8.23 2kf2A17 ALA 58 HA 0.04 0.17 0.38 -0.75 4.34 4.18 2kf2A17 ALA 58 HB3 0.03 0.02 0.09 -0.04 1.41 1.51 2kf2A17 ASP 59 H 0.07 0.01 -0.27 -0.55 8.40 7.66 2kf2A17 ASP 59 HA 0.05 0.12 0.46 -0.75 4.63 4.51 2kf2A17 ASP 59 HB2 0.12 -0.08 0.05 -0.04 2.71 2.76 2kf2A17 ASP 59 HB3 0.07 0.05 -0.03 -0.04 2.70 2.76 2kf2A17 GLY 60 H 0.08 0.48 -0.65 -0.55 8.43 7.79 2kf2A17 GLY 60 HA2 0.06 0.09 0.20 -0.51 4.01 3.85 2kf2A17 GLY 60 HA3 0.05 0.17 0.74 -0.51 4.01 4.46 2kf2A17 LYS 61 H 0.12 -0.06 -0.30 -0.55 8.42 7.63 2kf2A17 LYS 61 HA 0.08 0.13 0.49 -0.75 4.32 4.27 2kf2A17 LYS 61 HB2 0.29 -0.10 0.12 -0.04 1.87 2.14 2kf2A17 LYS 61 HB3 0.06 0.05 -0.05 -0.04 1.79 1.82 2kf2A17 LYS 61 HG2 0.02 0.07 -0.07 -0.04 1.46 1.45 2kf2A17 LYS 61 HG3 0.08 -0.02 -0.14 -0.04 1.46 1.34 2kf2A17 LYS 61 HD2 0.13 -0.06 -0.01 -0.04 1.69 1.71 2kf2A17 LYS 61 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.62 2kf2A17 LYS 61 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 2kf2A17 LYS 61 HE3 -0.00 0.03 -0.03 -0.04 2.99 2.94 2kf2A17 VAL 62 H 0.11 0.25 0.20 -0.55 8.24 8.25 2kf2A17 VAL 62 HA 0.23 0.10 0.73 -0.75 4.13 4.44 2kf2A17 VAL 62 HB 0.09 -0.04 0.15 -0.04 2.12 2.28 2kf2A17 VAL 62 HG13 0.10 0.02 -0.15 -0.04 0.97 0.90 2kf2A17 VAL 62 HG23 0.08 0.05 0.01 -0.04 0.95 1.04 2kf2A17 TRP 63 H 0.53 0.29 -0.02 -0.55 7.97 8.23 2kf2A17 TRP 63 HA 0.18 0.03 0.37 -0.75 4.62 4.45 2kf2A17 TRP 63 HB2 0.25 0.02 0.17 -0.04 3.23 3.63 2kf2A17 TRP 63 HB3 0.55 -0.00 0.04 -0.04 3.23 3.77 2kf2A17 TRP 63 HD1 0.04 0.13 -0.16 -0.04 7.22 7.18 2kf2A17 TRP 63 HE1 0.02 -0.06 0.01 -0.04 10.20 10.12 2kf2A17 TRP 63 HE3 0.09 0.00 -0.02 -0.04 7.59 7.62 2kf2A17 TRP 63 HZ2 0.01 -0.02 0.00 -0.04 7.44 7.39 2kf2A17 TRP 63 HZ3 -0.03 -0.04 0.00 -0.04 7.13 7.02 2kf2A17 TRP 63 HH2 -0.01 -0.01 0.00 -0.04 7.19 7.13 2kf2A17 SER 64 H 0.18 0.28 0.30 -0.55 8.46 8.67 2kf2A17 SER 64 HA -0.11 0.49 1.06 -0.75 4.49 5.17 2kf2A17 SER 64 HB2 0.04 -0.01 0.14 -0.04 3.95 4.07 2kf2A17 SER 64 HB3 -0.03 -0.04 -0.12 -0.04 3.93 3.71 2kf2A17 TRP 65 H -0.49 0.48 0.22 -0.55 7.97 7.63 2kf2A17 TRP 65 HA 0.00 0.18 1.00 -0.75 4.62 5.05 2kf2A17 TRP 65 HB2 0.01 0.05 0.13 -0.04 3.23 3.38 2kf2A17 TRP 65 HB3 0.05 -0.01 -0.09 -0.04 3.23 3.14 2kf2A17 TRP 65 HD1 -0.02 0.02 -0.32 -0.04 7.22 6.85 2kf2A17 TRP 65 HE1 0.10 -0.03 -0.06 -0.04 10.20 10.16 2kf2A17 TRP 65 HE3 0.24 -0.11 -0.30 -0.04 7.59 7.38 2kf2A17 TRP 65 HZ2 0.44 -0.03 -0.04 -0.04 7.44 7.77 2kf2A17 TRP 65 HZ3 0.45 -0.03 -0.01 -0.04 7.13 7.50 2kf2A17 TRP 65 HH2 0.40 -0.03 -0.02 -0.04 7.19 7.50 2kf2A17 VAL 66 H 0.15 0.14 0.21 -0.55 8.24 8.19 2kf2A17 VAL 66 HA -0.12 0.25 0.92 -0.75 4.13 4.42 2kf2A17 VAL 66 HB -0.00 -0.05 0.15 -0.04 2.12 2.18 2kf2A17 VAL 66 HG13 -0.10 0.01 -0.16 -0.04 0.97 0.68 2kf2A17 VAL 66 HG23 -0.01 0.01 -0.04 -0.04 0.95 0.86 2kf2A17 SER 67 H -0.42 0.83 0.48 -0.55 8.46 8.80 2kf2A17 SER 67 HA -0.14 0.10 0.98 -0.75 4.49 4.68 2kf2A17 SER 67 HB2 0.11 -0.01 -0.17 -0.04 3.95 3.84 2kf2A17 SER 67 HB3 -0.57 -0.01 0.01 -0.04 3.93 3.31 2kf2A17 GLU 68 H -0.18 0.46 0.34 -0.55 8.60 8.67 2kf2A17 GLU 68 HA -0.27 0.29 1.19 -0.75 4.29 4.75 2kf2A17 GLU 68 HB2 -0.08 -0.02 0.18 -0.04 2.09 2.13 2kf2A17 GLU 68 HB3 -0.08 -0.01 -0.02 -0.04 1.99 1.84 2kf2A17 GLU 68 HG2 -0.12 -0.00 -0.08 -0.04 2.34 2.10 2kf2A17 GLU 68 HG3 -0.10 -0.01 -0.05 -0.04 2.34 2.14 2kf2A17 ARG 69 H -0.05 0.68 0.41 -0.55 8.46 8.96 2kf2A17 ARG 69 HA -0.10 0.29 1.27 -0.75 4.34 5.05 2kf2A17 ARG 69 HB2 0.19 -0.05 -0.10 -0.04 1.90 1.90 2kf2A17 ARG 69 HB3 0.11 -0.00 0.09 -0.04 1.80 1.95 2kf2A17 ARG 69 HG2 -0.18 0.05 -0.36 -0.04 1.67 1.14 2kf2A17 ARG 69 HG3 -0.34 -0.04 -0.51 -0.04 1.67 0.73 2kf2A17 ARG 69 HD2 -0.57 0.04 -0.21 -0.04 3.22 2.44 2kf2A17 ARG 69 HD3 -0.28 -0.03 -0.13 -0.04 3.22 2.74 2kf2A17 VAL 70 H -0.08 0.72 0.38 -0.55 8.24 8.71 2kf2A17 VAL 70 HA -0.01 0.29 1.12 -0.75 4.13 4.77 2kf2A17 VAL 70 HB 0.02 -0.01 0.03 -0.04 2.12 2.12 2kf2A17 VAL 70 HG13 -0.00 0.03 -0.06 -0.04 0.97 0.91 2kf2A17 VAL 70 HG23 -0.02 -0.02 0.14 -0.04 0.95 1.01 2kf2A17 ALA 71 H 0.04 0.34 0.11 -0.55 8.40 8.35 2kf2A17 ALA 71 HA 0.03 0.18 1.00 -0.75 4.34 4.79 2kf2A17 ALA 71 HB3 0.09 0.02 0.01 -0.04 1.41 1.48 2kf2A17 ASP 72 H 0.19 0.63 0.09 -0.55 8.40 8.76 2kf2A17 ASP 72 HA 0.17 0.25 0.97 -0.75 4.63 5.26 2kf2A17 ASP 72 HB2 0.10 0.06 0.07 -0.04 2.71 2.89 2kf2A17 ASP 72 HB3 0.14 0.09 0.25 -0.04 2.70 3.14 2kf2A17 PRO 73 HA -0.33 0.11 0.34 -0.51 4.44 4.06 2kf2A17 PRO 73 HB2 -0.14 0.03 -0.03 -0.04 2.28 2.11 2kf2A17 PRO 73 HB3 -0.45 0.05 0.07 -0.04 2.02 1.65 2kf2A17 PRO 73 HG2 -0.01 0.05 0.08 -0.04 2.03 2.11 2kf2A17 PRO 73 HG3 0.08 0.09 0.01 -0.04 2.03 2.17 2kf2A17 PRO 73 HD2 0.07 0.03 0.25 -0.04 3.68 3.99 2kf2A17 PRO 73 HD3 0.19 0.55 0.36 -0.04 3.65 4.71 2kf2A17 VAL 74 H 0.05 0.08 -0.28 -0.55 8.24 7.54 2kf2A17 VAL 74 HA -0.01 0.13 0.40 -0.75 4.13 3.90 2kf2A17 VAL 74 HB 0.04 -0.08 0.10 -0.04 2.12 2.14 2kf2A17 VAL 74 HG13 0.02 0.02 -0.09 -0.04 0.97 0.88 2kf2A17 VAL 74 HG23 0.01 0.01 0.04 -0.04 0.95 0.97 2kf2A17 THR 75 H 0.10 0.06 -0.07 -0.55 8.28 7.81 2kf2A17 THR 75 HA 0.08 0.19 0.64 -0.75 4.39 4.54 2kf2A17 THR 75 HB 0.09 0.03 0.10 -0.04 4.32 4.51 2kf2A17 THR 75 HG23 0.06 -0.01 -0.01 -0.04 1.22 1.22 2kf2A17 ARG 76 H 0.18 0.04 -0.64 -0.55 8.46 7.49 2kf2A17 ARG 76 HA 0.61 0.01 0.26 -0.75 4.34 4.46 2kf2A17 ARG 76 HB2 0.25 0.24 0.13 -0.04 1.90 2.48 2kf2A17 ARG 76 HB3 0.51 -0.10 0.29 -0.04 1.80 2.46 2kf2A17 ARG 76 HG2 -0.00 -0.02 0.02 -0.04 1.67 1.62 2kf2A17 ARG 76 HG3 0.08 0.07 -0.28 -0.04 1.67 1.50 2kf2A17 ARG 76 HD2 0.12 0.05 0.00 -0.04 3.22 3.36 2kf2A17 ARG 76 HD3 0.14 -0.08 -0.03 -0.04 3.22 3.22 2kf2A17 THR 77 H 0.31 0.20 -0.16 -0.55 8.28 8.09 2kf2A17 THR 77 HA 0.17 0.24 0.93 -0.75 4.39 4.97 2kf2A17 THR 77 HB 0.11 -0.10 0.07 -0.04 4.32 4.37 2kf2A17 THR 77 HG23 0.04 -0.02 -0.22 -0.04 1.22 0.98 2kf2A17 VAL 78 H 0.06 0.88 0.23 -0.55 8.24 8.85 2kf2A17 VAL 78 HA -0.07 0.38 1.23 -0.75 4.13 4.91 2kf2A17 VAL 78 HB -0.01 0.01 0.23 -0.04 2.12 2.31 2kf2A17 VAL 78 HG13 -0.27 -0.01 -0.17 -0.04 0.97 0.49 2kf2A17 VAL 78 HG23 -0.55 -0.01 -0.15 -0.04 0.95 0.19 2kf2A17 ARG 79 H -0.10 0.37 0.20 -0.55 8.46 8.37 2kf2A17 ARG 79 HA -0.32 0.25 1.16 -0.75 4.34 4.67 2kf2A17 ARG 79 HB2 -0.08 0.02 -0.18 -0.04 1.90 1.61 2kf2A17 ARG 79 HB3 -0.06 -0.06 -0.08 -0.04 1.80 1.55 2kf2A17 ARG 79 HG2 -0.02 0.03 0.01 -0.04 1.67 1.65 2kf2A17 ARG 79 HG3 -0.05 -0.06 0.08 -0.04 1.67 1.60 2kf2A17 ARG 79 HD2 0.01 0.01 -0.08 -0.04 3.22 3.12 2kf2A17 ARG 79 HD3 0.01 -0.01 -0.05 -0.04 3.22 3.14 2kf2A17 ALA 80 H -0.36 0.85 0.35 -0.55 8.40 8.70 2kf2A17 ALA 80 HA -0.15 0.26 1.16 -0.75 4.34 4.85 2kf2A17 ALA 80 HB3 -0.20 -0.00 -0.03 -0.04 1.41 1.14 2kf2A17 GLN 81 H -0.10 0.79 0.37 -0.55 8.47 8.98 2kf2A17 GLN 81 HA -0.18 0.16 1.03 -0.75 4.36 4.62 2kf2A17 GLN 81 HB2 0.06 0.02 0.00 -0.04 2.15 2.19 2kf2A17 GLN 81 HB3 0.05 -0.02 0.04 -0.04 2.02 2.05 2kf2A17 GLN 81 HG2 -0.04 0.25 0.27 -0.04 2.40 2.83 2kf2A17 GLN 81 HG3 -0.02 -0.13 0.21 -0.04 2.39 2.41 2kf2A17 GLN 81 HE21 -0.00 -0.05 0.03 -0.04 6.97 6.90 2kf2A17 GLN 81 HE22 0.02 0.01 -0.02 -0.04 7.69 7.66 2kf2A17 ARG 82 H -0.27 0.88 0.38 -0.55 8.46 8.89 2kf2A17 ARG 82 HA -0.02 0.07 0.81 -0.75 4.34 4.44 2kf2A17 ARG 82 HB2 -0.05 -0.01 0.04 -0.04 1.90 1.84 2kf2A17 ARG 82 HB3 -0.21 -0.06 0.22 -0.04 1.80 1.71 2kf2A17 ARG 82 HG2 -0.18 0.07 -0.38 -0.04 1.67 1.14 2kf2A17 ARG 82 HG3 0.04 0.00 -0.07 -0.04 1.67 1.60 2kf2A17 ARG 82 HD2 -0.15 -0.02 -0.06 -0.04 3.22 2.94 2kf2A17 ARG 82 HD3 -0.33 -0.08 -0.09 -0.04 3.22 2.67 2kf2A17 VAL 83 H -0.01 0.27 0.25 -0.55 8.24 8.20 2kf2A17 VAL 83 HA 0.07 0.09 0.52 -0.75 4.13 4.05 2kf2A17 VAL 83 HB 0.03 0.02 0.16 -0.04 2.12 2.28 2kf2A17 VAL 83 HG13 0.05 -0.00 -0.01 -0.04 0.97 0.97 2kf2A17 VAL 83 HG23 0.04 0.01 0.04 -0.04 0.95 1.00 2kf2A17 GLU 84 H 0.05 0.19 0.08 -0.55 8.60 8.37 2kf2A17 GLU 84 HA 0.02 0.15 0.66 -0.75 4.29 4.36 2kf2A17 GLU 84 HB2 0.19 -0.07 0.25 -0.04 2.09 2.42 2kf2A17 GLU 84 HB3 0.08 0.04 0.07 -0.04 1.99 2.14 2kf2A17 GLU 84 HG2 0.04 0.06 0.02 -0.04 2.34 2.42 2kf2A17 GLU 84 HG3 0.07 0.05 0.17 -0.04 2.34 2.59 2kf2A17 THR 85 H -0.02 0.42 0.21 -0.55 8.28 8.34 2kf2A17 THR 85 HA -0.19 0.05 0.67 -0.75 4.39 4.17 2kf2A17 THR 85 HB 0.04 0.23 -0.23 -0.04 4.32 4.32 2kf2A17 THR 85 HG23 -0.00 -0.07 -0.11 -0.04 1.22 1.00 2kf2A17 GLY 86 H -0.04 0.09 0.08 -0.55 8.43 8.02 2kf2A17 GLY 86 HA2 -0.03 0.15 0.61 -0.51 4.01 4.23 2kf2A17 GLY 86 HA3 -0.03 0.01 0.36 -0.51 4.01 3.83 2kf2A17 PRO 87 HA -0.12 0.06 0.33 -0.51 4.44 4.19 2kf2A17 PRO 87 HB2 -0.49 0.04 0.03 -0.04 2.28 1.82 2kf2A17 PRO 87 HB3 -0.13 0.01 0.09 -0.04 2.02 1.95 2kf2A17 PRO 87 HG2 0.09 0.04 -0.05 -0.04 2.03 2.08 2kf2A17 PRO 87 HG3 0.05 0.04 0.04 -0.04 2.03 2.13 2kf2A17 PRO 87 HD2 0.13 -0.02 0.18 -0.04 3.68 3.92 2kf2A17 PRO 87 HD3 0.07 0.13 0.17 -0.04 3.65 3.98 2kf2A17 PHE 88 H 0.14 0.06 -0.77 -0.55 8.34 7.23 2kf2A17 PHE 88 HA 0.03 0.12 0.95 -0.75 4.62 4.97 2kf2A17 PHE 88 HB2 -0.06 -0.02 -0.22 -0.04 3.15 2.81 2kf2A17 PHE 88 HB3 0.04 0.06 -0.10 -0.04 3.06 3.02 2kf2A17 PHE 88 HD2 0.02 -0.03 -0.18 -0.04 7.28 7.03 2kf2A17 PHE 88 HE2 -0.41 -0.02 -0.11 -0.04 7.38 6.79 2kf2A17 PHE 88 HZ -0.26 -0.02 -0.11 -0.04 7.32 6.89 2kf2A17 GLN 89 H 0.21 0.49 0.41 -0.55 8.47 9.04 2kf2A17 GLN 89 HA 0.10 0.18 0.79 -0.75 4.36 4.67 2kf2A17 GLN 89 HB2 0.08 -0.07 0.05 -0.04 2.15 2.17 2kf2A17 GLN 89 HB3 0.14 0.05 0.09 -0.04 2.02 2.27 2kf2A17 GLN 89 HG2 0.12 0.00 -0.21 -0.04 2.40 2.27 2kf2A17 GLN 89 HG3 0.07 0.01 0.05 -0.04 2.39 2.48 2kf2A17 GLN 89 HE21 0.03 -0.01 -0.06 -0.04 6.97 6.89 2kf2A17 GLN 89 HE22 0.06 -0.02 -0.08 -0.04 7.69 7.62 2kf2A17 TYR 90 H 0.25 0.33 0.27 -0.55 8.29 8.59 2kf2A17 TYR 90 HA 0.04 0.30 0.74 -0.75 4.56 4.88 2kf2A17 TYR 90 HB2 0.04 0.11 -0.15 -0.04 3.06 3.01 2kf2A17 TYR 90 HB3 0.06 -0.10 0.05 -0.04 2.98 2.95 2kf2A17 TYR 90 HD2 0.03 0.03 -0.08 -0.04 7.15 7.09 2kf2A17 TYR 90 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 2kf2A17 MET 91 H -0.54 0.46 0.13 -0.55 8.47 7.98 2kf2A17 MET 91 HA -0.11 0.14 0.94 -0.75 4.52 4.74 2kf2A17 MET 91 HB2 -0.28 0.03 0.12 -0.04 2.15 1.99 2kf2A17 MET 91 HB3 -0.24 0.00 -0.07 -0.04 2.03 1.68 2kf2A17 MET 91 HG2 -0.40 0.02 -0.12 -0.04 2.63 2.09 2kf2A17 MET 91 HG3 -0.26 -0.02 -0.38 -0.04 2.56 1.86 2kf2A17 MET 91 HE3 -0.54 0.00 -0.11 -0.04 2.10 1.41 2kf2A17 ASN 92 H -0.09 0.78 0.18 -0.55 8.53 8.85 2kf2A17 ASN 92 HA -0.21 0.16 1.06 -0.75 4.76 5.02 2kf2A17 ASN 92 HB2 0.17 -0.03 0.01 -0.04 2.88 2.98 2kf2A17 ASN 92 HB3 0.12 0.11 0.26 -0.04 2.79 3.24 2kf2A17 ASN 92 HD21 0.13 0.01 -0.01 -0.04 7.03 7.13 2kf2A17 ASN 92 HD22 0.07 -0.02 -0.08 -0.04 7.74 7.66 2kf2A17 ILE 93 H -0.13 0.76 0.23 -0.55 8.25 8.57 2kf2A17 ILE 93 HA 0.01 0.13 0.85 -0.75 4.18 4.43 2kf2A17 ILE 93 HB -0.18 0.01 0.23 -0.04 1.89 1.90 2kf2A17 ILE 93 HG12 0.04 -0.02 -0.15 -0.04 1.49 1.32 2kf2A17 ILE 93 HG13 -0.06 0.01 -0.16 -0.04 1.21 0.96 2kf2A17 ILE 93 HG23 0.02 -0.00 -0.19 -0.04 0.93 0.72 2kf2A17 ILE 93 HD13 0.11 0.00 -0.07 -0.04 0.88 0.87 2kf2A17 VAL 94 H 0.02 0.83 0.24 -0.55 8.24 8.78 2kf2A17 VAL 94 HA -0.12 0.01 0.70 -0.75 4.13 3.97 2kf2A17 VAL 94 HB 0.04 0.02 0.25 -0.04 2.12 2.39 2kf2A17 VAL 94 HG13 0.02 -0.02 -0.23 -0.04 0.97 0.70 2kf2A17 VAL 94 HG23 0.01 0.01 -0.09 -0.04 0.95 0.85 2kf2A17 TRP 95 H -0.17 0.60 0.13 -0.55 7.97 7.98 2kf2A17 TRP 95 HA -0.48 0.21 0.93 -0.75 4.62 4.53 2kf2A17 TRP 95 HB2 -0.33 0.12 0.34 -0.04 3.23 3.31 2kf2A17 TRP 95 HB3 -0.57 -0.04 0.02 -0.04 3.23 2.60 2kf2A17 TRP 95 HD1 -1.00 -0.06 -0.61 -0.04 7.22 5.51 2kf2A17 TRP 95 HE1 -1.81 -0.06 -0.13 -0.04 10.20 8.16 2kf2A17 TRP 95 HE3 -0.13 -0.03 -0.07 -0.04 7.59 7.32 2kf2A17 TRP 95 HZ2 -0.73 -0.05 -0.07 -0.04 7.44 6.56 2kf2A17 TRP 95 HZ3 0.09 0.18 -0.09 -0.04 7.13 7.27 2kf2A17 TRP 95 HH2 -0.83 0.01 -0.05 -0.04 7.19 6.28 2kf2A17 GLU 96 H -0.05 0.74 0.21 -0.55 8.60 8.96 2kf2A17 GLU 96 HA 0.06 0.21 0.98 -0.75 4.29 4.78 2kf2A17 GLU 96 HB2 0.04 -0.07 -0.02 -0.04 2.09 2.01 2kf2A17 GLU 96 HB3 0.03 -0.05 0.12 -0.04 1.99 2.04 2kf2A17 GLU 96 HG2 0.09 0.06 -0.26 -0.04 2.34 2.19 2kf2A17 GLU 96 HG3 0.10 0.07 -0.06 -0.04 2.34 2.41 2kf2A17 TYR 97 H 0.30 0.74 0.36 -0.55 8.29 9.14 2kf2A17 TYR 97 HA 0.13 0.25 1.07 -0.75 4.56 5.26 2kf2A17 TYR 97 HB2 0.37 0.04 0.22 -0.04 3.06 3.65 2kf2A17 TYR 97 HB3 0.23 -0.05 -0.01 -0.04 2.98 3.10 2kf2A17 TYR 97 HD2 0.15 0.10 -0.09 -0.04 7.15 7.27 2kf2A17 TYR 97 HE2 -0.13 -0.00 -0.12 -0.04 6.85 6.56 2kf2A17 ALA 98 H 0.15 0.81 0.35 -0.55 8.40 9.17 2kf2A17 ALA 98 HA 0.12 0.17 0.87 -0.75 4.34 4.74 2kf2A17 ALA 98 HB3 0.07 -0.01 0.02 -0.04 1.41 1.45 2kf2A17 GLU 99 H 0.08 0.14 0.19 -0.55 8.60 8.46 2kf2A17 GLU 99 HA 0.07 0.08 0.63 -0.75 4.29 4.32 2kf2A17 GLU 99 HB2 0.04 -0.02 0.14 -0.04 2.09 2.21 2kf2A17 GLU 99 HB3 0.04 0.02 0.06 -0.04 1.99 2.07 2kf2A17 GLU 99 HG2 0.04 0.02 0.03 -0.04 2.34 2.39 2kf2A17 GLU 99 HG3 0.07 0.00 0.08 -0.04 2.34 2.46 2kf2A17 THR 100 H 0.05 0.35 0.37 -0.55 8.28 8.50 2kf2A17 THR 100 HA 0.03 0.11 0.53 -0.75 4.39 4.31 2kf2A17 THR 100 HB 0.04 0.25 -0.00 -0.04 4.32 4.57 2kf2A17 THR 100 HG23 0.02 -0.08 0.04 -0.04 1.22 1.17 2kf2A17 ALA 101 H 0.02 0.18 0.15 -0.55 8.40 8.20 2kf2A17 ALA 101 HA 0.02 0.16 0.51 -0.75 4.34 4.27 2kf2A17 ALA 101 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2kf2A17 GLU 102 H 0.02 0.00 -0.22 -0.55 8.60 7.86 2kf2A17 GLU 102 HA 0.01 0.26 0.86 -0.75 4.29 4.67 2kf2A17 GLU 102 HB2 0.01 -0.03 -0.04 -0.04 2.09 2.00 2kf2A17 GLU 102 HB3 0.01 0.04 0.11 -0.04 1.99 2.11 2kf2A17 GLU 102 HG2 0.01 0.03 -0.03 -0.04 2.34 2.30 2kf2A17 GLU 102 HG3 0.01 0.09 -0.25 -0.04 2.34 2.15 2kf2A17 GLY 103 H 0.03 0.22 -0.31 -0.55 8.43 7.83 2kf2A17 GLY 103 HA2 0.03 0.04 0.24 -0.51 4.01 3.81 2kf2A17 GLY 103 HA3 0.03 0.20 0.60 -0.51 4.01 4.33 2kf2A17 THR 104 H 0.06 0.68 0.35 -0.55 8.28 8.82 2kf2A17 THR 104 HA 0.10 0.20 0.98 -0.75 4.39 4.91 2kf2A17 THR 104 HB 0.13 -0.01 0.17 -0.04 4.32 4.57 2kf2A17 THR 104 HG23 0.24 0.01 -0.12 -0.04 1.22 1.30 2kf2A17 VAL 105 H 0.10 0.53 0.19 -0.55 8.24 8.51 2kf2A17 VAL 105 HA 0.05 0.07 0.75 -0.75 4.13 4.25 2kf2A17 VAL 105 HB 0.07 -0.01 0.07 -0.04 2.12 2.20 2kf2A17 VAL 105 HG13 0.03 -0.01 -0.36 -0.04 0.97 0.59 2kf2A17 VAL 105 HG23 0.04 -0.00 -0.18 -0.04 0.95 0.76 2kf2A17 MET 106 H 0.04 0.72 0.39 -0.55 8.47 9.07 2kf2A17 MET 106 HA -0.13 0.23 0.97 -0.75 4.52 4.83 2kf2A17 MET 106 HB2 0.09 -0.02 0.02 -0.04 2.15 2.21 2kf2A17 MET 106 HB3 -0.01 0.03 0.21 -0.04 2.03 2.22 2kf2A17 MET 106 HG2 0.08 -0.03 -0.30 -0.04 2.63 2.34 2kf2A17 MET 106 HG3 -0.56 0.02 -0.12 -0.04 2.56 1.85 2kf2A17 MET 106 HE3 -0.17 -0.00 -0.03 -0.04 2.10 1.85 2kf2A17 ARG 107 H -0.09 0.90 0.31 -0.55 8.46 9.03 2kf2A17 ARG 107 HA 0.08 0.16 0.93 -0.75 4.34 4.76 2kf2A17 ARG 107 HB2 0.04 -0.03 0.15 -0.04 1.90 2.01 2kf2A17 ARG 107 HB3 0.06 -0.04 -0.16 -0.04 1.80 1.62 2kf2A17 ARG 107 HG2 0.03 -0.09 -0.40 -0.04 1.67 1.17 2kf2A17 ARG 107 HG3 0.03 0.18 -0.13 -0.04 1.67 1.72 2kf2A17 ARG 107 HD2 0.04 -0.02 -0.15 -0.04 3.22 3.05 2kf2A17 ARG 107 HD3 0.04 -0.01 -0.14 -0.04 3.22 3.07 2kf2A17 TRP 108 H 0.27 0.87 0.30 -0.55 7.97 8.87 2kf2A17 TRP 108 HA 0.05 0.25 0.84 -0.75 4.62 5.01 2kf2A17 TRP 108 HB2 -0.08 0.07 0.27 -0.04 3.23 3.44 2kf2A17 TRP 108 HB3 -0.00 -0.05 0.08 -0.04 3.23 3.21 2kf2A17 TRP 108 HD1 -0.36 -0.04 -0.37 -0.04 7.22 6.41 2kf2A17 TRP 108 HE1 -0.94 0.01 -0.11 -0.04 10.20 9.12 2kf2A17 TRP 108 HE3 0.01 -0.03 -0.06 -0.04 7.59 7.46 2kf2A17 TRP 108 HZ2 -1.33 0.03 -0.07 -0.04 7.44 6.02 2kf2A17 TRP 108 HZ3 -0.02 -0.02 -0.07 -0.04 7.13 6.97 2kf2A17 TRP 108 HH2 -0.55 -0.00 -0.07 -0.04 7.19 6.53 2kf2A17 THR 109 H 0.12 0.80 0.24 -0.55 8.28 8.89 2kf2A17 THR 109 HA 0.14 0.13 0.89 -0.75 4.39 4.79 2kf2A17 THR 109 HB 0.07 -0.06 0.26 -0.04 4.32 4.55 2kf2A17 THR 109 HG23 0.08 -0.01 -0.15 -0.04 1.22 1.10 2kf2A17 GLN 110 H 0.20 0.84 0.28 -0.55 8.47 9.23 2kf2A17 GLN 110 HA 0.14 0.14 0.91 -0.75 4.36 4.80 2kf2A17 GLN 110 HB2 0.28 -0.01 0.23 -0.04 2.15 2.61 2kf2A17 GLN 110 HB3 0.20 -0.04 -0.01 -0.04 2.02 2.13 2kf2A17 GLN 110 HG2 0.24 -0.04 -0.14 -0.04 2.40 2.42 2kf2A17 GLN 110 HG3 0.32 0.13 -0.05 -0.04 2.39 2.74 2kf2A17 GLN 110 HE21 0.61 0.01 -0.08 -0.04 6.97 7.46 2kf2A17 GLN 110 HE22 0.37 -0.01 -0.06 -0.04 7.69 7.95 2kf2A17 ASP 111 H 0.11 0.85 0.32 -0.55 8.40 9.13 2kf2A17 ASP 111 HA 0.03 0.18 0.97 -0.75 4.63 5.05 2kf2A17 ASP 111 HB2 0.12 -0.01 0.02 -0.04 2.71 2.81 2kf2A17 ASP 111 HB3 0.13 -0.04 0.24 -0.04 2.70 2.99 2kf2A17 PHE 112 H -0.40 0.79 0.38 -0.55 8.34 8.56 2kf2A17 PHE 112 HA 0.03 0.23 1.17 -0.75 4.62 5.30 2kf2A17 PHE 112 HB2 0.01 0.05 0.06 -0.04 3.15 3.23 2kf2A17 PHE 112 HB3 -0.13 -0.08 -0.11 -0.04 3.06 2.70 2kf2A17 PHE 112 HD2 0.18 0.02 -0.22 -0.04 7.28 7.21 2kf2A17 PHE 112 HE2 0.15 -0.04 -0.01 -0.04 7.38 7.44 2kf2A17 PHE 112 HZ 0.13 -0.00 0.03 -0.04 7.32 7.44 2kf2A17 ALA 113 H 0.29 0.73 0.40 -0.55 8.40 9.28 2kf2A17 ALA 113 HA 0.06 0.11 1.12 -0.75 4.34 4.87 2kf2A17 ALA 113 HB3 0.12 0.01 0.07 -0.04 1.41 1.57 2kf2A17 MET 114 H 0.13 0.31 0.30 -0.55 8.47 8.65 2kf2A17 MET 114 HA 0.13 -0.01 1.11 -0.75 4.52 4.99 2kf2A17 MET 114 HB2 0.09 0.05 0.18 -0.04 2.15 2.43 2kf2A17 MET 114 HB3 -0.04 0.17 0.11 -0.04 2.03 2.23 2kf2A17 MET 114 HG2 0.21 0.01 -0.11 -0.04 2.63 2.70 2kf2A17 MET 114 HG3 0.54 -0.08 -0.10 -0.04 2.56 2.89 2kf2A17 MET 114 HE3 -0.53 0.08 -0.07 -0.04 2.10 1.54 2kf2A17 LYS 115 H 0.01 0.17 0.21 -0.55 8.42 8.25 2kf2A17 LYS 115 HA 0.01 0.14 0.81 -0.75 4.32 4.54 2kf2A17 LYS 115 HB2 0.03 -0.00 -0.01 -0.04 1.87 1.85 2kf2A17 LYS 115 HB3 0.02 -0.02 -0.04 -0.04 1.79 1.71 2kf2A17 LYS 115 HG2 0.05 -0.11 -0.63 -0.04 1.46 0.74 2kf2A17 LYS 115 HG3 0.03 -0.03 -0.11 -0.04 1.46 1.31 2kf2A17 LYS 115 HD2 0.02 0.21 0.24 -0.04 1.69 2.12 2kf2A17 LYS 115 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 2kf2A17 LYS 115 HE2 0.01 0.00 0.04 -0.04 2.99 3.00 2kf2A17 LYS 115 HE3 0.01 -0.02 0.03 -0.04 2.99 2.98 2kf2A17 PRO 116 HA -0.02 0.06 0.51 -0.51 4.44 4.47 2kf2A17 PRO 116 HB2 -0.06 -0.05 -0.09 -0.04 2.28 2.04 2kf2A17 PRO 116 HB3 -0.03 0.08 0.10 -0.04 2.02 2.13 2kf2A17 PRO 116 HG2 -0.06 0.13 -0.35 -0.04 2.03 1.72 2kf2A17 PRO 116 HG3 -0.00 0.33 -0.22 -0.04 2.03 2.10 2kf2A17 PRO 116 HD2 0.02 -0.13 0.18 -0.04 3.68 3.71 2kf2A17 PRO 116 HD3 0.01 0.19 0.03 -0.04 3.65 3.84 2kf2A17 ASP 117 H -0.04 0.12 0.09 -0.55 8.40 8.02 2kf2A17 ASP 117 HA -0.04 0.20 0.22 -0.75 4.63 4.25 2kf2A17 ASP 117 HB2 -0.03 -0.01 0.12 -0.04 2.71 2.74 2kf2A17 ASP 117 HB3 -0.04 -0.03 0.12 -0.04 2.70 2.71 2kf2A17 ALA 118 H -0.09 0.32 -0.96 -0.55 8.40 7.11 2kf2A17 ALA 118 HA -0.11 -0.00 0.41 -0.75 4.34 3.88 2kf2A17 ALA 118 HB3 -0.21 -0.01 0.09 -0.04 1.41 1.24 2kf2A17 PRO 119 HA -0.17 0.10 0.36 -0.51 4.44 4.22 2kf2A17 PRO 119 HB2 -0.27 -0.00 -0.02 -0.04 2.28 1.94 2kf2A17 PRO 119 HB3 -0.15 0.04 0.12 -0.04 2.02 1.99 2kf2A17 PRO 119 HG2 -0.17 -0.06 0.12 -0.04 2.03 1.88 2kf2A17 PRO 119 HG3 -0.11 0.04 0.10 -0.04 2.03 2.02 2kf2A17 PRO 119 HD2 -0.13 0.04 0.24 -0.04 3.68 3.79 2kf2A17 PRO 119 HD3 -0.10 0.18 0.22 -0.04 3.65 3.91 2kf2A17 VAL 120 H -0.26 0.06 -0.11 -0.55 8.24 7.39 2kf2A17 VAL 120 HA -0.87 0.07 0.70 -0.75 4.13 3.28 2kf2A17 VAL 120 HB -0.05 -0.03 0.00 -0.04 2.12 2.01 2kf2A17 VAL 120 HG13 -0.44 0.00 -0.03 -0.04 0.97 0.46 2kf2A17 VAL 120 HG23 -0.14 0.00 -0.04 -0.04 0.95 0.73 2kf2A17 ASP 121 H -0.03 0.04 0.18 -0.55 8.40 8.04 2kf2A17 ASP 121 HA 0.06 0.35 0.72 -0.75 4.63 5.01 2kf2A17 ASP 121 HB2 0.52 -0.16 0.12 -0.04 2.71 3.16 2kf2A17 ASP 121 HB3 0.19 -0.03 0.20 -0.04 2.70 3.02 2kf2A17 ASP 122 H 0.17 0.36 0.15 -0.55 8.40 8.53 2kf2A17 ASP 122 HA 0.52 0.09 0.42 -0.75 4.63 4.89 2kf2A17 ASP 122 HB2 0.07 -0.07 -0.02 -0.04 2.71 2.64 2kf2A17 ASP 122 HB3 0.21 0.12 0.11 -0.04 2.70 3.10 2kf2A17 ALA 123 H 0.19 0.14 -0.20 -0.55 8.40 7.98 2kf2A17 ALA 123 HA 0.08 0.11 0.40 -0.75 4.34 4.18 2kf2A17 ALA 123 HB3 0.02 0.03 0.04 -0.04 1.41 1.47 2kf2A17 TRP 124 H 0.46 0.08 -0.29 -0.55 7.97 7.67 2kf2A17 TRP 124 HA 0.04 0.08 0.42 -0.75 4.62 4.40 2kf2A17 TRP 124 HB2 0.03 0.17 0.11 -0.04 3.23 3.50 2kf2A17 TRP 124 HB3 0.02 0.03 0.01 -0.04 3.23 3.25 2kf2A17 TRP 124 HD1 0.02 -0.11 0.14 -0.04 7.22 7.23 2kf2A17 TRP 124 HE1 0.01 0.08 0.05 -0.04 10.20 10.30 2kf2A17 TRP 124 HE3 0.01 -0.01 0.01 -0.04 7.59 7.56 2kf2A17 TRP 124 HZ2 0.00 0.03 0.01 -0.04 7.44 7.45 2kf2A17 TRP 124 HZ3 0.00 0.01 -0.00 -0.04 7.13 7.10 2kf2A17 TRP 124 HH2 0.00 0.02 -0.00 -0.04 7.19 7.17 2kf2A17 MET 125 H 0.33 0.41 -0.30 -0.55 8.47 8.36 2kf2A17 MET 125 HA 0.17 0.03 0.35 -0.75 4.52 4.31 2kf2A17 MET 125 HB2 0.38 0.08 0.14 -0.04 2.15 2.70 2kf2A17 MET 125 HB3 -0.02 -0.02 -0.04 -0.04 2.03 1.91 2kf2A17 MET 125 HG2 0.15 0.18 -0.13 -0.04 2.63 2.78 2kf2A17 MET 125 HG3 0.21 0.01 -0.11 -0.04 2.56 2.63 2kf2A17 MET 125 HE3 0.11 -0.01 -0.05 -0.04 2.10 2.11 2kf2A17 THR 126 H 0.30 0.73 -0.04 -0.55 8.28 8.72 2kf2A17 THR 126 HA 0.23 -0.00 0.30 -0.75 4.39 4.17 2kf2A17 THR 126 HB 0.12 0.08 0.12 -0.04 4.32 4.59 2kf2A17 THR 126 HG23 0.09 -0.01 -0.08 -0.04 1.22 1.18 2kf2A17 ASP 127 H 0.09 0.43 -0.32 -0.55 8.40 8.05 2kf2A17 ASP 127 HA 0.02 0.04 0.46 -0.75 4.63 4.40 2kf2A17 ASP 127 HB2 -0.04 0.03 0.11 -0.04 2.71 2.77 2kf2A17 ASP 127 HB3 -0.00 0.10 0.14 -0.04 2.70 2.89 2kf2A17 ASN 128 H 0.10 0.52 -0.07 -0.55 8.53 8.52 2kf2A17 ASN 128 HA 0.04 0.02 0.48 -0.75 4.76 4.55 2kf2A17 ASN 128 HB2 0.11 0.12 0.20 -0.04 2.88 3.26 2kf2A17 ASN 128 HB3 0.06 -0.05 -0.00 -0.04 2.79 2.76 2kf2A17 ASN 128 HD21 0.19 0.59 0.14 -0.04 7.03 7.91 2kf2A17 ASN 128 HD22 0.22 -0.07 0.02 -0.04 7.74 7.87 2kf2A17 ILE 129 H 0.08 0.91 -0.05 -0.55 8.25 8.64 2kf2A17 ILE 129 HA 0.04 -0.01 0.45 -0.75 4.18 3.90 2kf2A17 ILE 129 HB 0.12 0.08 0.09 -0.04 1.89 2.14 2kf2A17 ILE 129 HG12 0.02 -0.05 -0.02 -0.04 1.49 1.40 2kf2A17 ILE 129 HG13 0.05 0.21 0.00 -0.04 1.21 1.44 2kf2A17 ILE 129 HG23 0.11 -0.01 -0.09 -0.04 0.93 0.90 2kf2A17 ILE 129 HD13 0.00 -0.02 -0.12 -0.04 0.88 0.70 2kf2A17 ASN 130 H 0.05 0.57 -0.22 -0.55 8.53 8.38 2kf2A17 ASN 130 HA 0.01 -0.01 0.42 -0.75 4.76 4.42 2kf2A17 ASN 130 HB2 0.03 0.04 0.15 -0.04 2.88 3.06 2kf2A17 ASN 130 HB3 0.02 0.19 0.23 -0.04 2.79 3.18 2kf2A17 ASN 130 HD21 -0.00 0.02 0.03 -0.04 7.03 7.03 2kf2A17 ASN 130 HD22 -0.01 -0.03 -0.01 -0.04 7.74 7.65 2kf2A17 ARG 131 H 0.01 0.49 -0.16 -0.55 8.46 8.24 2kf2A17 ARG 131 HA -0.03 0.03 0.49 -0.75 4.34 4.08 2kf2A17 ARG 131 HB2 0.00 0.11 0.21 -0.04 1.90 2.17 2kf2A17 ARG 131 HB3 -0.01 -0.04 0.03 -0.04 1.80 1.74 2kf2A17 ARG 131 HG2 -0.01 -0.04 0.04 -0.04 1.67 1.62 2kf2A17 ARG 131 HG3 -0.00 0.13 0.10 -0.04 1.67 1.86 2kf2A17 ARG 131 HD2 -0.00 -0.04 -0.02 -0.04 3.22 3.12 2kf2A17 ARG 131 HD3 0.01 -0.00 -0.07 -0.04 3.22 3.12 2kf2A17 ASN 132 H -0.01 0.75 -0.04 -0.55 8.53 8.69 2kf2A17 ASN 132 HA -0.04 0.00 0.36 -0.75 4.76 4.34 2kf2A17 ASN 132 HB2 0.00 0.08 0.10 -0.04 2.88 3.02 2kf2A17 ASN 132 HB3 -0.00 0.01 0.17 -0.04 2.79 2.93 2kf2A17 ASN 132 HD21 0.04 0.00 -0.05 -0.04 7.03 6.99 2kf2A17 ASN 132 HD22 0.08 -0.02 -0.05 -0.04 7.74 7.70 2kf2A17 SER 133 H -0.06 0.88 -0.06 -0.55 8.46 8.68 2kf2A17 SER 133 HA -0.31 -0.03 0.39 -0.75 4.49 3.78 2kf2A17 SER 133 HB2 -0.28 -0.04 0.00 -0.04 3.95 3.58 2kf2A17 SER 133 HB3 -0.12 0.00 0.11 -0.04 3.93 3.88 2kf2A17 ARG 134 H -0.10 0.48 -0.12 -0.55 8.46 8.17 2kf2A17 ARG 134 HA -0.13 -0.01 0.35 -0.75 4.34 3.80 2kf2A17 ARG 134 HB2 -0.06 0.19 0.20 -0.04 1.90 2.19 2kf2A17 ARG 134 HB3 -0.06 -0.03 0.00 -0.04 1.80 1.66 2kf2A17 ARG 134 HG2 -0.06 -0.05 0.07 -0.04 1.67 1.58 2kf2A17 ARG 134 HG3 -0.06 0.03 0.10 -0.04 1.67 1.70 2kf2A17 ARG 134 HD2 -0.03 0.05 0.01 -0.04 3.22 3.20 2kf2A17 ARG 134 HD3 -0.04 -0.03 0.02 -0.04 3.22 3.14 2kf2A17 THR 135 H -0.09 0.43 -0.38 -0.55 8.28 7.69 2kf2A17 THR 135 HA -0.07 0.03 0.42 -0.75 4.39 4.01 2kf2A17 THR 135 HB -0.07 0.07 0.20 -0.04 4.32 4.48 2kf2A17 THR 135 HG23 -0.06 -0.02 -0.03 -0.04 1.22 1.06 2kf2A17 GLN 136 H -0.11 0.77 0.12 -0.55 8.47 8.70 2kf2A17 GLN 136 HA -0.03 0.03 0.40 -0.75 4.36 4.01 2kf2A17 GLN 136 HB2 -0.16 0.05 0.15 -0.04 2.15 2.15 2kf2A17 GLN 136 HB3 0.28 -0.07 0.04 -0.04 2.02 2.24 2kf2A17 GLN 136 HG2 -0.02 0.20 0.15 -0.04 2.40 2.68 2kf2A17 GLN 136 HG3 0.17 -0.06 0.01 -0.04 2.39 2.47 2kf2A17 GLN 136 HE21 -0.08 0.02 0.01 -0.04 6.97 6.88 2kf2A17 GLN 136 HE22 -0.16 0.01 -0.02 -0.04 7.69 7.48 2kf2A17 MET 137 H -0.31 0.83 0.06 -0.55 8.47 8.51 2kf2A17 MET 137 HA -0.43 -0.02 0.40 -0.75 4.52 3.72 2kf2A17 MET 137 HB2 -0.37 0.30 0.02 -0.04 2.15 2.06 2kf2A17 MET 137 HB3 -0.34 -0.05 -0.07 -0.04 2.03 1.53 2kf2A17 MET 137 HG2 -0.83 0.01 -0.04 -0.04 2.63 1.72 2kf2A17 MET 137 HG3 -1.05 -0.04 0.01 -0.04 2.56 1.44 2kf2A17 MET 137 HE3 -1.25 -0.03 -0.19 -0.04 2.10 0.59 2kf2A17 ALA 138 H -0.15 0.42 -0.39 -0.55 8.40 7.73 2kf2A17 ALA 138 HA -0.09 -0.01 0.51 -0.75 4.34 3.99 2kf2A17 ALA 138 HB3 -0.07 0.07 0.16 -0.04 1.41 1.52 2kf2A17 LEU 139 H -0.08 0.44 -0.12 -0.55 8.37 8.06 2kf2A17 LEU 139 HA -0.04 0.01 0.44 -0.75 4.35 4.01 2kf2A17 LEU 139 HB2 -0.05 0.02 0.18 -0.04 1.64 1.75 2kf2A17 LEU 139 HB3 -0.02 0.12 0.26 -0.04 1.64 1.96 2kf2A17 LEU 139 HG -0.01 0.09 -0.10 -0.04 1.64 1.58 2kf2A17 LEU 139 HD13 -0.03 -0.02 0.05 -0.04 0.93 0.89 2kf2A17 LEU 139 HD23 -0.03 -0.02 0.05 -0.04 0.89 0.84 2kf2A17 ILE 140 H -0.09 0.63 -0.04 -0.55 8.25 8.20 2kf2A17 ILE 140 HA -0.03 0.09 0.41 -0.75 4.18 3.90 2kf2A17 ILE 140 HB -0.20 0.02 0.11 -0.04 1.89 1.78 2kf2A17 ILE 140 HG12 -0.01 0.01 -0.15 -0.04 1.49 1.31 2kf2A17 ILE 140 HG13 -0.04 0.23 0.07 -0.04 1.21 1.44 2kf2A17 ILE 140 HG23 -0.12 -0.02 -0.12 -0.04 0.93 0.63 2kf2A17 ILE 140 HD13 -0.46 -0.04 -0.10 -0.04 0.88 0.23 2kf2A17 ARG 141 H -0.11 0.77 -0.09 -0.55 8.46 8.48 2kf2A17 ARG 141 HA -0.04 -0.05 0.43 -0.75 4.34 3.92 2kf2A17 ARG 141 HB2 -0.08 0.01 0.10 -0.04 1.90 1.89 2kf2A17 ARG 141 HB3 -0.07 0.13 0.23 -0.04 1.80 2.06 2kf2A17 ARG 141 HG2 -0.02 -0.02 -0.31 -0.04 1.67 1.27 2kf2A17 ARG 141 HG3 -0.02 -0.14 0.04 -0.04 1.67 1.51 2kf2A17 ARG 141 HD2 -0.04 0.09 -0.04 -0.04 3.22 3.19 2kf2A17 ARG 141 HD3 -0.05 0.03 0.02 -0.04 3.22 3.19 2kf2A17 ASP 142 H -0.04 0.67 -0.21 -0.55 8.40 8.28 2kf2A17 ASP 142 HA -0.02 -0.04 0.37 -0.75 4.63 4.19 2kf2A17 ASP 142 HB2 -0.03 0.05 0.16 -0.04 2.71 2.86 2kf2A17 ASP 142 HB3 -0.02 0.22 0.18 -0.04 2.70 3.04 2kf2A17 ARG 143 H -0.01 0.44 -0.31 -0.55 8.46 8.02 2kf2A17 ARG 143 HA 0.01 0.02 0.51 -0.75 4.34 4.11 2kf2A17 ARG 143 HB2 0.01 0.15 0.22 -0.04 1.90 2.24 2kf2A17 ARG 143 HB3 0.02 -0.05 0.02 -0.04 1.80 1.75 2kf2A17 ARG 143 HG2 0.00 0.16 0.12 -0.04 1.67 1.90 2kf2A17 ARG 143 HG3 0.02 0.04 0.10 -0.04 1.67 1.79 2kf2A17 ARG 143 HD2 0.02 0.02 0.04 -0.04 3.22 3.26 2kf2A17 ARG 143 HD3 0.01 -0.09 0.04 -0.04 3.22 3.14 2kf2A17 ILE 144 H 0.00 0.63 -0.05 -0.55 8.25 8.29 2kf2A17 ILE 144 HA 0.03 0.01 0.39 -0.75 4.18 3.86 2kf2A17 ILE 144 HB 0.01 0.12 0.17 -0.04 1.89 2.15 2kf2A17 ILE 144 HG12 -0.00 0.36 0.02 -0.04 1.49 1.83 2kf2A17 ILE 144 HG13 0.02 -0.07 -0.06 -0.04 1.21 1.05 2kf2A17 ILE 144 HG23 0.04 -0.03 -0.19 -0.04 0.93 0.71 2kf2A17 ILE 144 HD13 0.04 -0.02 -0.08 -0.04 0.88 0.79 2kf2A17 GLU 145 H 0.01 0.76 -0.07 -0.55 8.60 8.75 2kf2A17 GLU 145 HA 0.02 0.01 0.38 -0.75 4.29 3.94 2kf2A17 GLU 145 HB2 0.00 0.09 0.11 -0.04 2.09 2.25 2kf2A17 GLU 145 HB3 0.01 0.00 0.06 -0.04 1.99 2.01 2kf2A17 GLU 145 HG2 0.01 0.01 -0.14 -0.04 2.34 2.18 2kf2A17 GLU 145 HG3 0.00 0.24 0.03 -0.04 2.34 2.57 2kf2A17 GLN 146 H 0.01 0.55 -0.21 -0.55 8.47 8.26 2kf2A17 GLN 146 HA 0.01 0.00 0.43 -0.75 4.36 4.05 2kf2A17 GLN 146 HB2 0.00 0.08 0.17 -0.04 2.15 2.36 2kf2A17 GLN 146 HB3 0.01 0.09 0.23 -0.04 2.02 2.31 2kf2A17 GLN 146 HG2 0.01 -0.02 -0.23 -0.04 2.40 2.12 2kf2A17 GLN 146 HG3 0.01 -0.05 0.02 -0.04 2.39 2.33 2kf2A17 GLN 146 HE21 0.01 -0.02 -0.06 -0.04 6.97 6.86 2kf2A17 GLN 146 HE22 0.01 -0.00 -0.02 -0.04 7.69 7.63 2kf2A17 ALA 147 H 0.02 0.74 -0.08 -0.55 8.40 8.53 2kf2A17 ALA 147 HA 0.02 0.02 0.37 -0.75 4.34 4.00 2kf2A17 ALA 147 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 2kf2A17 ALA 148 H 0.02 0.60 -0.23 -0.55 8.40 8.24 2kf2A17 ALA 148 HA 0.02 -0.03 0.50 -0.75 4.34 4.07 2kf2A17 ALA 148 HB3 0.02 0.02 0.16 -0.04 1.41 1.57 2kf2A17 GLY 149 H 0.01 0.56 -0.20 -0.55 8.43 8.25 2kf2A17 GLY 149 HA2 0.01 -0.01 0.51 -0.51 4.01 4.01 2kf2A17 GLY 149 HA3 0.01 0.05 0.34 -0.51 4.01 3.90 2kf2A17 GLU 150 H 0.01 0.31 -0.38 -0.55 8.60 8.00 2kf2A17 GLU 150 HA 0.01 0.09 0.70 -0.75 4.29 4.33 2kf2A17 GLU 150 HB2 0.01 0.05 0.10 -0.04 2.09 2.22 2kf2A17 GLU 150 HB3 0.01 -0.07 0.07 -0.04 1.99 1.97 2kf2A17 GLU 150 HG2 0.01 -0.04 -0.02 -0.04 2.34 2.24 2kf2A17 GLU 150 HG3 0.01 0.25 -0.05 -0.04 2.34 2.52 2kf2A17 ARG 151 H 0.01 0.24 -0.34 -0.55 8.46 7.82 2kf2A17 ARG 151 HA 0.01 0.05 0.57 -0.75 4.34 4.22 2kf2A17 ARG 151 HB2 0.02 0.03 0.10 -0.04 1.90 2.01 2kf2A17 ARG 151 HB3 0.02 0.08 0.22 -0.04 1.80 2.08 2kf2A17 ARG 151 HG2 0.01 0.02 -0.45 -0.04 1.67 1.21 2kf2A17 ARG 151 HG3 0.02 -0.04 -0.09 -0.04 1.67 1.51 2kf2A17 ARG 151 HD2 0.02 -0.03 -0.04 -0.04 3.22 3.13 2kf2A17 ARG 151 HD3 0.02 0.00 -0.02 -0.04 3.22 3.19 2kf2A17 ARG 152 H 0.01 0.35 0.03 -0.55 8.46 8.30 2kf2A17 ARG 152 HA 0.01 -0.01 0.37 -0.75 4.34 3.95 2kf2A17 ARG 152 HB2 0.01 0.13 0.09 -0.04 1.90 2.09 2kf2A17 ARG 152 HB3 0.01 -0.07 0.06 -0.04 1.80 1.75 2kf2A17 ARG 152 HG2 0.01 -0.07 0.01 -0.04 1.67 1.58 2kf2A17 ARG 152 HG3 0.01 0.07 -0.50 -0.04 1.67 1.22 2kf2A17 ARG 152 HD2 0.01 0.08 0.02 -0.04 3.22 3.28 2kf2A17 ARG 152 HD3 0.01 0.01 -0.07 -0.04 3.22 3.12 2kf2A17 THR 153 H 0.01 0.49 0.38 -0.55 8.28 8.61 2kf2A17 THR 153 HA 0.01 0.08 0.87 -0.75 4.39 4.59 2kf2A17 THR 153 HB 0.00 0.01 -0.01 -0.04 4.32 4.28 2kf2A17 THR 153 HG23 0.00 0.03 -0.02 -0.04 1.22 1.19 2kf2A17 ALA 154 H 0.01 0.07 0.10 -0.55 8.40 8.04 2kf2A17 ALA 154 HA 0.01 0.04 0.48 -0.75 4.34 4.12 2kf2A17 ALA 154 HB3 0.01 0.00 0.10 -0.04 1.41 1.47 2kf2A17 SER 155 H 0.01 0.09 0.23 -0.55 8.46 8.24 2kf2A17 SER 155 HA 0.00 0.06 0.42 -0.75 4.49 4.22 2kf2A17 SER 155 HB2 0.00 0.02 0.02 -0.04 3.95 3.95 2kf2A17 SER 155 HB3 0.00 0.07 0.15 -0.04 3.93 4.11 2kf2A17 VAL 156 H 0.00 0.16 0.20 -0.55 8.24 8.05 2kf2A17 VAL 156 HA 0.00 0.17 0.93 -0.75 4.13 4.48 2kf2A17 VAL 156 HB 0.00 0.06 -0.03 -0.04 2.12 2.11 2kf2A17 VAL 156 HG13 0.00 -0.02 -0.01 -0.04 0.97 0.90 2kf2A17 VAL 156 HG23 0.00 0.03 -0.01 -0.04 0.95 0.93 2kf2A17 LEU 157 H -0.00 0.16 0.16 -0.55 8.37 8.14 2kf2A17 LEU 157 HA -0.00 0.16 0.95 -0.75 4.35 4.69 2kf2A17 LEU 157 HB2 -0.00 -0.01 0.08 -0.04 1.64 1.67 2kf2A17 LEU 157 HB3 -0.01 0.07 0.07 -0.04 1.64 1.74 2kf2A17 LEU 157 HG 0.00 -0.03 -0.17 -0.04 1.64 1.40 2kf2A17 LEU 157 HD13 -0.00 0.00 -0.03 -0.04 0.93 0.86 2kf2A17 LEU 157 HD23 -0.00 0.03 -0.07 -0.04 0.89 0.81 2kf2A17 ALA 158 H -0.01 0.10 0.14 -0.55 8.40 8.08 2kf2A17 ALA 158 HA -0.01 0.14 0.66 -0.75 4.34 4.38 2kf2A17 ALA 158 HB3 -0.01 -0.01 0.12 -0.04 1.41 1.47 2kf2A17 ASP 159 H -0.01 0.05 0.14 -0.55 8.40 8.03 2kf2A17 ASP 159 HA -0.03 0.15 0.50 -0.75 4.63 4.50 2kf2A17 ASP 159 HB2 -0.02 -0.03 0.09 -0.04 2.71 2.71 2kf2A17 ASP 159 HB3 -0.04 0.01 0.03 -0.04 2.70 2.66 2kf2A17 LEU 160 H -0.09 0.25 0.17 -0.55 8.37 8.15 2kf2A17 LEU 160 HA -0.06 0.08 0.68 -0.75 4.35 4.30 2kf2A17 LEU 160 HB2 -0.03 0.08 -0.28 -0.04 1.64 1.38 2kf2A17 LEU 160 HB3 -0.05 0.03 -0.04 -0.04 1.64 1.53 2kf2A17 LEU 160 HG 0.13 0.08 0.01 -0.04 1.64 1.83 2kf2A17 LEU 160 HD13 -0.01 -0.02 0.07 -0.04 0.93 0.93 2kf2A17 LEU 160 HD23 0.10 -0.00 -0.03 -0.04 0.89 0.92 2kf2A17 GLU 161 H -0.01 0.10 0.08 -0.55 8.60 8.22 2kf2A17 GLU 161 HA -0.13 0.06 0.45 -0.75 4.29 3.91 2kf2A17 GLU 161 HB2 -0.10 -0.00 -0.29 -0.04 2.09 1.66 2kf2A17 GLU 161 HB3 0.06 0.03 0.00 -0.04 1.99 2.04 2kf2A17 GLU 161 HG2 0.23 -0.06 -0.00 -0.04 2.34 2.46 2kf2A17 GLU 161 HG3 0.10 0.03 -0.01 -0.04 2.34 2.42 2kf2A17 HIS 162 H -0.14 0.09 0.14 -0.55 8.41 7.96 2kf2A17 HIS 162 HA -0.21 0.20 0.72 -0.75 4.63 4.58 2kf2A17 HIS 162 HB2 -0.12 -0.07 0.14 -0.04 3.26 3.18 2kf2A17 HIS 162 HB3 -0.32 0.03 0.02 -0.04 3.20 2.89 2kf2A17 HIS 162 HD2 -0.09 0.03 0.00 -0.04 6.97 6.86 2kf2A17 HIS 162 HE1 -0.01 -0.00 0.01 -0.04 7.75 7.71 2kf2A17 HIS 163 H 0.09 0.05 0.04 -0.55 8.41 8.04 2kf2A17 HIS 163 HA -0.02 0.22 0.85 -0.75 4.63 4.92 2kf2A17 HIS 163 HB2 0.05 -0.03 0.12 -0.04 3.26 3.36 2kf2A17 HIS 163 HB3 0.05 0.07 -0.04 -0.04 3.20 3.23 2kf2A17 HIS 163 HD2 0.01 0.04 -0.03 -0.04 6.97 6.94 2kf2A17 HIS 163 HE1 -0.01 0.01 -0.02 -0.04 7.75 7.68 2kf2A17 HIS 164 H 0.03 0.27 -0.06 -0.55 8.41 8.11 2kf2A17 HIS 164 HA 0.12 -0.01 0.48 -0.75 4.63 4.46 2kf2A17 HIS 164 HB2 0.07 0.03 0.17 -0.04 3.26 3.50 2kf2A17 HIS 164 HB3 0.08 0.03 0.10 -0.04 3.20 3.36 2kf2A17 HIS 164 HD2 0.02 0.01 0.00 -0.04 6.97 6.96 2kf2A17 HIS 164 HE1 -0.06 -0.07 0.00 -0.04 7.75 7.58 2kf2A17 HIS 165 H 0.26 0.49 0.09 -0.55 8.41 8.70 2kf2A17 HIS 165 HA 0.12 0.06 0.22 -0.75 4.63 4.28 2kf2A17 HIS 165 HB2 0.10 0.13 -0.05 -0.04 3.26 3.40 2kf2A17 HIS 165 HB3 0.08 -0.01 0.10 -0.04 3.20 3.33 2kf2A17 HIS 165 HD2 0.06 0.05 0.05 -0.04 6.97 7.08 2kf2A17 HIS 165 HE1 0.03 -0.01 -0.01 -0.04 7.75 7.72 2kf2A17 HIS 166 H 0.11 0.03 0.09 -0.55 8.41 8.09 2kf2A17 HIS 166 HA -0.05 0.14 0.57 -0.75 4.63 4.54 2kf2A17 HIS 166 HB2 0.06 0.19 -0.05 -0.04 3.26 3.42 2kf2A17 HIS 166 HB3 0.09 -0.08 -0.04 -0.04 3.20 3.12 2kf2A17 HIS 166 HD2 0.00 0.02 0.10 -0.04 6.97 7.05 2kf2A17 HIS 166 HE1 0.04 0.00 -0.04 -0.04 7.75 7.70 2kf2A17 HIS 167 H 0.16 0.00 0.10 -0.55 8.41 8.12 2kf2A17 HIS 167 HA -0.20 0.27 0.57 -0.75 4.63 4.51 2kf2A17 HIS 167 HB2 -0.04 -0.02 0.03 -0.04 3.26 3.20 2kf2A17 HIS 167 HB3 0.02 0.00 0.09 -0.04 3.20 3.27 2kf2A17 HIS 167 HD2 -0.08 -0.00 -0.01 -0.04 6.97 6.84 2kf2A17 HIS 167 HE1 -0.03 0.02 0.02 -0.04 7.75 7.71