============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 -20.276 0.777 -9.630 -99.200 -91.000 PHE 16 1.000 -11.300 0.957 -2.290 -99.200 -91.000 PHE 17 1.000 -7.669 1.037 -8.550 -99.200 -91.000 TRP 20 1.040 -9.584 4.781 -5.350 -99.200 -91.000 TRP6 20 1.020 -8.000 5.490 -3.773 -99.200 -91.000 HIS 22 0.900 -16.677 9.324 -11.252 -99.200 -91.000 PHE 23 1.000 -13.651 9.490 -5.673 -99.200 -91.000 TYR 30 0.840 -1.235 6.356 -1.987 -99.200 -91.000 PHE 61 1.000 -12.144 9.641 3.462 -99.200 -91.000 TYR 65 0.840 -8.997 11.580 4.821 -99.200 -91.000 HIS 80 0.900 -14.195 0.354 7.287 -99.200 -91.000 PHE 88 1.000 -17.114 -9.090 3.729 -99.200 -91.000 PHE 92 1.000 -8.954 -2.995 1.338 -99.200 -91.000 PHE 103 1.000 2.242 -3.393 5.352 -99.200 -91.000 TRP 107 1.040 6.006 -8.311 1.081 -99.200 -91.000 TRP6 107 1.020 5.115 -8.224 -1.082 -99.200 -91.000 TYR 110 0.840 2.008 -13.324 3.445 -99.200 -91.000 HIS 114 0.900 11.010 -14.331 3.330 -99.200 -91.000 PHE 117 1.000 9.200 -10.325 -7.935 -99.200 -91.000 PHE 126 1.000 0.266 -10.902 0.750 -99.200 -91.000 TYR 146 0.840 -6.485 -7.135 1.402 -99.200 -91.000 PHE 154 1.000 3.002 -3.437 -7.029 -99.200 -91.000 PHE 177 1.000 10.568 2.917 3.807 -99.200 -91.000 PHE 181 1.000 11.635 3.775 -1.644 -99.200 -91.000 PHE 191 1.000 16.471 -5.227 -6.759 -99.200 -91.000 PHE 195 1.000 19.982 -8.662 -4.021 -99.200 -91.000 TYR 198 0.840 23.218 -0.605 -0.987 -99.200 -91.000 TYR 205 0.840 21.792 -12.375 4.067 -99.200 -91.000 TYR 234 0.840 13.027 6.088 4.312 -99.200 -91.000 TYR 248 0.840 18.562 -14.213 2.026 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f33A4 MET 1 H -0.25 0.00 0.07 -0.55 8.47 7.75 2f33A4 MET 1 HA -0.12 0.01 0.16 -0.75 4.52 3.82 2f33A4 MET 1 HB2 -0.22 -0.05 0.03 -0.04 2.15 1.87 2f33A4 MET 1 HB3 -0.19 0.07 0.03 -0.04 2.03 1.90 2f33A4 MET 1 HG2 -0.32 0.08 -0.05 -0.04 2.63 2.30 2f33A4 MET 1 HG3 -0.56 -0.04 -0.05 -0.04 2.56 1.87 2f33A4 MET 1 HE3 -0.70 -0.03 -0.28 -0.04 2.10 1.05 2f33A4 ALA 2 H -0.51 0.34 0.11 -0.55 8.40 7.79 2f33A4 ALA 2 HA -0.07 0.01 0.39 -0.75 4.34 3.92 2f33A4 ALA 2 HB3 0.12 0.07 0.06 -0.04 1.41 1.61 2f33A4 GLU 3 H -0.01 0.10 -0.20 -0.55 8.60 7.94 2f33A4 GLU 3 HA 0.05 0.08 0.31 -0.75 4.29 3.98 2f33A4 GLU 3 HB2 0.04 0.01 0.04 -0.04 2.09 2.13 2f33A4 GLU 3 HB3 0.01 -0.05 -0.06 -0.04 1.99 1.85 2f33A4 GLU 3 HG2 0.03 0.06 0.02 -0.04 2.34 2.40 2f33A4 GLU 3 HG3 0.03 0.02 -0.05 -0.04 2.34 2.29 2f33A4 SER 4 H 0.06 0.25 -0.59 -0.55 8.46 7.64 2f33A4 SER 4 HA 0.02 0.18 0.58 -0.75 4.49 4.51 2f33A4 SER 4 HB2 0.07 -0.07 0.06 -0.04 3.95 3.97 2f33A4 SER 4 HB3 0.26 -0.03 0.09 -0.04 3.93 4.21 2f33A4 HIS 5 H 0.43 0.32 0.10 -0.55 8.41 8.71 2f33A4 HIS 5 HA -0.02 0.06 0.56 -0.75 4.63 4.48 2f33A4 HIS 5 HB2 -0.02 0.00 -0.02 -0.04 3.26 3.18 2f33A4 HIS 5 HB3 -0.01 -0.05 0.02 -0.04 3.20 3.12 2f33A4 HIS 5 HD2 -0.02 -0.09 -0.03 -0.04 6.97 6.78 2f33A4 HIS 5 HE1 -0.05 0.01 -0.01 -0.04 7.75 7.65 2f33A4 LEU 6 H 0.10 0.78 0.06 -0.55 8.37 8.77 2f33A4 LEU 6 HA 0.07 -0.03 0.36 -0.75 4.35 4.01 2f33A4 LEU 6 HB2 0.07 0.20 -0.02 -0.04 1.64 1.84 2f33A4 LEU 6 HB3 0.06 -0.01 -0.10 -0.04 1.64 1.56 2f33A4 LEU 6 HG 0.11 -0.15 0.05 -0.04 1.64 1.61 2f33A4 LEU 6 HD13 0.18 -0.01 -0.16 -0.04 0.93 0.89 2f33A4 LEU 6 HD23 0.15 -0.01 -0.04 -0.04 0.89 0.96 2f33A4 GLN 7 H 0.04 0.21 -0.48 -0.55 8.47 7.69 2f33A4 GLN 7 HA 0.00 0.16 0.78 -0.75 4.36 4.55 2f33A4 GLN 7 HB2 0.01 0.10 0.06 -0.04 2.15 2.28 2f33A4 GLN 7 HB3 0.00 -0.01 0.11 -0.04 2.02 2.08 2f33A4 GLN 7 HG2 0.03 -0.13 -0.31 -0.04 2.40 1.95 2f33A4 GLN 7 HG3 0.02 0.12 -0.42 -0.04 2.39 2.07 2f33A4 GLN 7 HE21 -0.01 -0.09 0.08 -0.04 6.97 6.92 2f33A4 GLN 7 HE22 -0.00 -0.03 0.12 -0.04 7.69 7.73 2f33A4 SER 8 H 0.01 0.13 -0.34 -0.55 8.46 7.71 2f33A4 SER 8 HA -0.03 0.11 0.65 -0.75 4.49 4.47 2f33A4 SER 8 HB2 -0.09 0.66 0.25 -0.04 3.95 4.73 2f33A4 SER 8 HB3 -0.06 -0.14 0.24 -0.04 3.93 3.92 2f33A4 SER 9 H -0.02 0.29 0.12 -0.55 8.46 8.30 2f33A4 SER 9 HA -0.02 0.12 0.44 -0.75 4.49 4.28 2f33A4 SER 9 HB2 -0.05 -0.09 -0.32 -0.04 3.95 3.46 2f33A4 SER 9 HB3 -0.03 -0.01 -0.11 -0.04 3.93 3.74 2f33A4 LEU 10 H -0.02 0.08 0.07 -0.55 8.37 7.95 2f33A4 LEU 10 HA -0.04 0.86 0.82 -0.75 4.35 5.23 2f33A4 LEU 10 HB2 -0.00 -0.16 -0.30 -0.04 1.64 1.14 2f33A4 LEU 10 HB3 0.01 -0.06 0.05 -0.04 1.64 1.60 2f33A4 LEU 10 HG -0.05 -0.04 0.25 -0.04 1.64 1.76 2f33A4 LEU 10 HD13 -0.06 0.08 0.02 -0.04 0.93 0.93 2f33A4 LEU 10 HD23 0.13 -0.02 0.04 -0.04 0.89 0.99 2f33A4 ILE 11 H -0.03 0.48 0.46 -0.55 8.25 8.61 2f33A4 ILE 11 HA -0.01 -0.02 0.61 -0.75 4.18 4.00 2f33A4 ILE 11 HB 0.08 -0.04 -0.02 -0.04 1.89 1.88 2f33A4 ILE 11 HG12 0.09 -0.07 0.04 -0.04 1.49 1.51 2f33A4 ILE 11 HG13 0.01 0.38 0.18 -0.04 1.21 1.74 2f33A4 ILE 11 HG23 0.09 -0.07 0.02 -0.04 0.93 0.93 2f33A4 ILE 11 HD13 0.04 -0.03 -0.10 -0.04 0.88 0.75 2f33A4 THR 12 H 0.01 0.04 0.20 -0.55 8.28 7.97 2f33A4 THR 12 HA -0.02 0.26 0.42 -0.75 4.39 4.30 2f33A4 THR 12 HB 0.02 -0.06 0.26 -0.04 4.32 4.50 2f33A4 THR 12 HG23 -0.04 0.06 0.13 -0.04 1.22 1.32 2f33A4 ALA 13 H 0.14 0.15 0.10 -0.55 8.40 8.24 2f33A4 ALA 13 HA 0.68 0.20 0.42 -0.75 4.34 4.88 2f33A4 ALA 13 HB3 0.42 0.06 -0.03 -0.04 1.41 1.83 2f33A4 SER 14 H 0.09 0.08 -0.00 -0.55 8.46 8.09 2f33A4 SER 14 HA 0.12 0.21 0.48 -0.75 4.49 4.55 2f33A4 SER 14 HB2 0.06 -0.03 0.09 -0.04 3.95 4.03 2f33A4 SER 14 HB3 0.07 0.02 -0.04 -0.04 3.93 3.93 2f33A4 GLN 15 H 0.07 0.01 -0.32 -0.55 8.47 7.69 2f33A4 GLN 15 HA 0.00 0.18 0.51 -0.75 4.36 4.30 2f33A4 GLN 15 HB2 0.09 0.02 0.07 -0.04 2.15 2.28 2f33A4 GLN 15 HB3 0.14 0.07 0.00 -0.04 2.02 2.20 2f33A4 GLN 15 HG2 0.06 -0.09 -0.04 -0.04 2.40 2.28 2f33A4 GLN 15 HG3 0.06 -0.01 0.04 -0.04 2.39 2.44 2f33A4 GLN 15 HE21 0.09 0.06 -0.02 -0.04 6.97 7.06 2f33A4 GLN 15 HE22 0.05 -0.01 -0.00 -0.04 7.69 7.69 2f33A4 PHE 16 H 0.15 0.51 -0.18 -0.55 8.34 8.27 2f33A4 PHE 16 HA -0.03 0.02 0.29 -0.75 4.62 4.15 2f33A4 PHE 16 HB2 -0.12 0.06 0.03 -0.04 3.15 3.08 2f33A4 PHE 16 HB3 -0.10 0.37 0.09 -0.04 3.06 3.37 2f33A4 PHE 16 HD2 -0.16 -0.11 -0.07 -0.04 7.28 6.90 2f33A4 PHE 16 HE2 -0.41 -0.08 -0.15 -0.04 7.38 6.70 2f33A4 PHE 16 HZ -0.57 -0.07 0.11 -0.04 7.32 6.76 2f33A4 PHE 17 H -0.30 0.02 -1.11 -0.55 8.34 6.40 2f33A4 PHE 17 HA -1.12 0.05 0.35 -0.75 4.62 3.15 2f33A4 PHE 17 HB2 -0.59 0.07 0.12 -0.04 3.15 2.71 2f33A4 PHE 17 HB3 -0.24 0.04 0.17 -0.04 3.06 2.98 2f33A4 PHE 17 HD2 0.22 -0.03 0.01 -0.04 7.28 7.43 2f33A4 PHE 17 HE2 0.15 -0.00 -0.03 -0.04 7.38 7.46 2f33A4 PHE 17 HZ 0.04 0.06 0.01 -0.04 7.32 7.39 2f33A4 GLU 18 H -0.13 0.26 -0.48 -0.55 8.60 7.70 2f33A4 GLU 18 HA -0.37 0.12 0.60 -0.75 4.29 3.89 2f33A4 GLU 18 HB2 -0.14 0.05 0.13 -0.04 2.09 2.10 2f33A4 GLU 18 HB3 -0.18 0.02 0.23 -0.04 1.99 2.01 2f33A4 GLU 18 HG2 -0.25 -0.05 -0.09 -0.04 2.34 1.91 2f33A4 GLU 18 HG3 -0.23 -0.03 -0.11 -0.04 2.34 1.93 2f33A4 ILE 19 H -0.13 0.75 0.06 -0.55 8.25 8.39 2f33A4 ILE 19 HA -0.25 -0.03 0.30 -0.75 4.18 3.45 2f33A4 ILE 19 HB 0.08 0.13 0.03 -0.04 1.89 2.08 2f33A4 ILE 19 HG12 -0.09 -0.09 -0.09 -0.04 1.49 1.18 2f33A4 ILE 19 HG13 -0.19 0.03 -0.03 -0.04 1.21 0.98 2f33A4 ILE 19 HG23 0.05 -0.02 -0.02 -0.04 0.93 0.90 2f33A4 ILE 19 HD13 0.11 -0.01 -0.36 -0.04 0.88 0.58 2f33A4 TRP 20 H 0.14 0.48 -0.41 -0.55 7.97 7.62 2f33A4 TRP 20 HA -1.26 0.06 0.57 -0.75 4.62 3.23 2f33A4 TRP 20 HB2 0.59 -0.07 0.03 -0.04 3.23 3.75 2f33A4 TRP 20 HB3 0.25 0.14 0.04 -0.04 3.23 3.63 2f33A4 TRP 20 HD1 -0.34 0.12 -0.06 -0.04 7.22 6.89 2f33A4 TRP 20 HE1 0.47 0.03 -0.02 -0.04 10.20 10.64 2f33A4 TRP 20 HE3 0.26 -0.06 -0.04 -0.04 7.59 7.71 2f33A4 TRP 20 HZ2 0.04 0.06 -0.23 -0.04 7.44 7.27 2f33A4 TRP 20 HZ3 0.15 -0.02 -0.07 -0.04 7.13 7.14 2f33A4 TRP 20 HH2 -0.08 0.04 -0.02 -0.04 7.19 7.10 2f33A4 LEU 21 H -0.07 0.17 -0.60 -0.55 8.37 7.32 2f33A4 LEU 21 HA -0.59 -0.01 0.40 -0.75 4.35 3.39 2f33A4 LEU 21 HB2 -0.59 0.51 0.37 -0.04 1.64 1.89 2f33A4 LEU 21 HB3 -0.35 0.03 0.09 -0.04 1.64 1.36 2f33A4 LEU 21 HG -0.30 0.02 0.07 -0.04 1.64 1.39 2f33A4 LEU 21 HD13 -0.53 -0.00 0.04 -0.04 0.93 0.40 2f33A4 LEU 21 HD23 -0.32 -0.02 -0.01 -0.04 0.89 0.50 2f33A4 HIS 22 H -0.38 0.35 -0.57 -0.55 8.41 7.26 2f33A4 HIS 22 HA -0.26 0.01 0.27 -0.75 4.63 3.90 2f33A4 HIS 22 HB2 -0.35 -0.04 0.14 -0.04 3.26 2.98 2f33A4 HIS 22 HB3 -0.65 0.11 0.16 -0.04 3.20 2.77 2f33A4 HIS 22 HD2 -0.13 0.03 0.04 -0.04 6.97 6.87 2f33A4 HIS 22 HE1 0.00 -0.02 0.01 -0.04 7.75 7.70 2f33A4 PHE 23 H -1.23 0.23 -0.26 -0.55 8.34 6.53 2f33A4 PHE 23 HA -0.21 0.10 0.63 -0.75 4.62 4.39 2f33A4 PHE 23 HB2 -0.07 0.08 0.08 -0.04 3.15 3.20 2f33A4 PHE 23 HB3 -0.08 -0.01 -0.01 -0.04 3.06 2.92 2f33A4 PHE 23 HD2 -0.03 -0.01 -0.04 -0.04 7.28 7.16 2f33A4 PHE 23 HE2 0.19 -0.06 0.01 -0.04 7.38 7.48 2f33A4 PHE 23 HZ 0.22 -0.04 -0.11 -0.04 7.32 7.35 2f33A4 ASP 24 H -0.32 0.28 -0.47 -0.55 8.40 7.34 2f33A4 ASP 24 HA -0.15 -0.06 0.51 -0.75 4.63 4.17 2f33A4 ASP 24 HB2 -0.74 0.22 -0.01 -0.04 2.71 2.15 2f33A4 ASP 24 HB3 -0.41 0.05 0.24 -0.04 2.70 2.54 2f33A4 ALA 25 H -0.06 0.80 -0.02 -0.55 8.40 8.57 2f33A4 ALA 25 HA -0.09 0.16 0.34 -0.75 4.34 3.99 2f33A4 ALA 25 HB3 -0.05 -0.00 0.11 -0.04 1.41 1.42 2f33A4 ASP 26 H -0.05 0.09 -0.02 -0.55 8.40 7.88 2f33A4 ASP 26 HA -0.03 0.17 0.51 -0.75 4.63 4.52 2f33A4 ASP 26 HB2 -0.03 -0.04 0.15 -0.04 2.71 2.75 2f33A4 ASP 26 HB3 -0.01 0.03 0.15 -0.04 2.70 2.83 2f33A4 GLY 27 H -0.09 0.31 -0.83 -0.55 8.43 7.28 2f33A4 GLY 27 HA2 -0.08 0.06 0.31 -0.51 4.01 3.79 2f33A4 GLY 27 HA3 -0.03 0.10 0.30 -0.51 4.01 3.87 2f33A4 SER 28 H -0.02 -0.07 -0.97 -0.55 8.46 6.86 2f33A4 SER 28 HA 0.05 0.15 0.39 -0.75 4.49 4.33 2f33A4 SER 28 HB2 0.06 -0.03 0.01 -0.04 3.95 3.95 2f33A4 SER 28 HB3 0.05 0.03 0.14 -0.04 3.93 4.11 2f33A4 GLY 29 H 0.03 -0.03 -1.29 -0.55 8.43 6.60 2f33A4 GLY 29 HA2 0.12 0.00 0.23 -0.51 4.01 3.86 2f33A4 GLY 29 HA3 0.15 0.15 0.52 -0.51 4.01 4.32 2f33A4 TYR 30 H 0.07 0.05 -0.38 -0.55 8.29 7.47 2f33A4 TYR 30 HA 0.18 0.24 0.59 -0.75 4.56 4.81 2f33A4 TYR 30 HB2 0.04 -0.03 -0.29 -0.04 3.06 2.75 2f33A4 TYR 30 HB3 0.11 -0.17 -0.19 -0.04 2.98 2.68 2f33A4 TYR 30 HD2 0.14 -0.13 -0.77 -0.04 7.15 6.35 2f33A4 TYR 30 HE2 0.08 -0.07 0.02 -0.04 6.85 6.84 2f33A4 LEU 31 H 0.01 0.52 0.21 -0.55 8.37 8.56 2f33A4 LEU 31 HA -0.20 0.00 0.46 -0.75 4.35 3.86 2f33A4 LEU 31 HB2 0.15 0.01 0.20 -0.04 1.64 1.96 2f33A4 LEU 31 HB3 0.03 0.01 0.03 -0.04 1.64 1.67 2f33A4 LEU 31 HG -0.24 0.02 -0.07 -0.04 1.64 1.31 2f33A4 LEU 31 HD13 0.40 -0.01 -0.01 -0.04 0.93 1.27 2f33A4 LEU 31 HD23 -0.08 -0.02 -0.35 -0.04 0.89 0.39 2f33A4 GLU 32 H -0.04 0.12 0.33 -0.55 8.60 8.46 2f33A4 GLU 32 HA 0.03 0.21 0.77 -0.75 4.29 4.54 2f33A4 GLU 32 HB2 -0.01 -0.13 0.16 -0.04 2.09 2.07 2f33A4 GLU 32 HB3 0.00 0.03 0.04 -0.04 1.99 2.03 2f33A4 GLU 32 HG2 0.05 -0.02 -0.26 -0.04 2.34 2.08 2f33A4 GLU 32 HG3 0.02 -0.07 0.02 -0.04 2.34 2.27 2f33A4 GLY 33 H 0.02 0.36 0.28 -0.55 8.43 8.55 2f33A4 GLY 33 HA2 0.01 0.64 0.70 -0.51 4.01 4.86 2f33A4 GLY 33 HA3 0.00 -0.09 0.54 -0.51 4.01 3.95 2f33A4 LYS 34 H 0.00 0.20 0.26 -0.55 8.42 8.33 2f33A4 LYS 34 HA 0.00 0.06 0.38 -0.75 4.32 4.00 2f33A4 LYS 34 HB2 -0.00 0.04 0.20 -0.04 1.87 2.06 2f33A4 LYS 34 HB3 -0.00 0.06 0.06 -0.04 1.79 1.86 2f33A4 LYS 34 HG2 -0.00 -0.02 -0.03 -0.04 1.46 1.37 2f33A4 LYS 34 HG3 -0.00 0.03 0.07 -0.04 1.46 1.51 2f33A4 LYS 34 HD2 -0.00 0.03 0.02 -0.04 1.69 1.70 2f33A4 LYS 34 HD3 -0.00 0.01 0.03 -0.04 1.68 1.67 2f33A4 LYS 34 HE2 -0.00 -0.00 -0.03 -0.04 2.99 2.92 2f33A4 LYS 34 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.92 2f33A4 GLU 35 H -0.01 0.27 -0.26 -0.55 8.60 8.06 2f33A4 GLU 35 HA -0.00 0.02 0.39 -0.75 4.29 3.94 2f33A4 GLU 35 HB2 -0.02 0.23 0.10 -0.04 2.09 2.37 2f33A4 GLU 35 HB3 0.01 0.27 0.20 -0.04 1.99 2.43 2f33A4 GLU 35 HG2 -0.02 0.04 0.26 -0.04 2.34 2.57 2f33A4 GLU 35 HG3 -0.01 -0.10 0.16 -0.04 2.34 2.35 2f33A4 LEU 36 H -0.01 0.77 -0.66 -0.55 8.37 7.92 2f33A4 LEU 36 HA -0.10 0.01 0.56 -0.75 4.35 4.06 2f33A4 LEU 36 HB2 0.02 0.13 -0.10 -0.04 1.64 1.65 2f33A4 LEU 36 HB3 0.03 0.12 -0.04 -0.04 1.64 1.72 2f33A4 LEU 36 HG 0.08 -0.15 0.01 -0.04 1.64 1.54 2f33A4 LEU 36 HD13 0.05 0.04 -0.01 -0.04 0.93 0.97 2f33A4 LEU 36 HD23 0.02 0.07 -0.04 -0.04 0.89 0.90 2f33A4 GLN 37 H -0.01 0.19 -0.04 -0.55 8.47 8.07 2f33A4 GLN 37 HA 0.01 0.07 0.41 -0.75 4.36 4.09 2f33A4 GLN 37 HB2 0.01 0.02 -0.06 -0.04 2.15 2.09 2f33A4 GLN 37 HB3 0.00 -0.04 0.14 -0.04 2.02 2.08 2f33A4 GLN 37 HG2 0.00 -0.04 -0.16 -0.04 2.40 2.17 2f33A4 GLN 37 HG3 0.01 0.05 0.10 -0.04 2.39 2.50 2f33A4 GLN 37 HE21 0.00 -0.03 -0.00 -0.04 6.97 6.90 2f33A4 GLN 37 HE22 0.00 -0.03 0.02 -0.04 7.69 7.64 2f33A4 ASN 38 H -0.03 0.88 -0.24 -0.55 8.53 8.59 2f33A4 ASN 38 HA -0.01 0.06 0.47 -0.75 4.76 4.52 2f33A4 ASN 38 HB2 -0.01 0.00 -0.17 -0.04 2.88 2.66 2f33A4 ASN 38 HB3 0.00 0.11 0.05 -0.04 2.79 2.92 2f33A4 ASN 38 HD21 -0.00 0.01 0.02 -0.04 7.03 7.02 2f33A4 ASN 38 HD22 -0.01 -0.01 0.00 -0.04 7.74 7.68 2f33A4 LEU 39 H -0.20 0.31 -0.35 -0.55 8.37 7.59 2f33A4 LEU 39 HA -0.43 0.05 0.57 -0.75 4.35 3.78 2f33A4 LEU 39 HB2 -4.01 -0.05 0.09 -0.04 1.64 -2.37 2f33A4 LEU 39 HB3 -0.92 0.24 0.27 -0.04 1.64 1.19 2f33A4 LEU 39 HG -0.28 0.05 -0.19 -0.04 1.64 1.18 2f33A4 LEU 39 HD13 -0.40 -0.02 -0.10 -0.04 0.93 0.38 2f33A4 LEU 39 HD23 -0.02 0.13 0.12 -0.04 0.89 1.08 2f33A4 ILE 40 H -0.14 0.72 0.06 -0.55 8.25 8.35 2f33A4 ILE 40 HA 0.02 -0.04 0.30 -0.75 4.18 3.71 2f33A4 ILE 40 HB 0.03 0.33 0.15 -0.04 1.89 2.36 2f33A4 ILE 40 HG12 0.29 -0.06 -0.36 -0.04 1.49 1.33 2f33A4 ILE 40 HG13 0.29 -0.10 -0.07 -0.04 1.21 1.29 2f33A4 ILE 40 HG23 0.06 -0.03 -0.16 -0.04 0.93 0.76 2f33A4 ILE 40 HD13 0.22 0.03 -0.23 -0.04 0.88 0.85 2f33A4 GLN 41 H -0.03 0.20 -1.06 -0.55 8.47 7.03 2f33A4 GLN 41 HA 0.02 0.04 0.43 -0.75 4.36 4.10 2f33A4 GLN 41 HB2 0.01 0.23 0.15 -0.04 2.15 2.50 2f33A4 GLN 41 HB3 0.01 0.14 0.11 -0.04 2.02 2.24 2f33A4 GLN 41 HG2 0.03 -0.04 -0.16 -0.04 2.40 2.19 2f33A4 GLN 41 HG3 0.02 -0.04 0.05 -0.04 2.39 2.38 2f33A4 GLN 41 HE21 0.01 0.02 -0.01 -0.04 6.97 6.95 2f33A4 GLN 41 HE22 0.01 -0.04 -0.02 -0.04 7.69 7.59 2f33A4 GLU 42 H 0.02 0.50 -0.23 -0.55 8.60 8.34 2f33A4 GLU 42 HA 0.07 0.07 0.60 -0.75 4.29 4.28 2f33A4 GLU 42 HB2 0.14 0.15 0.18 -0.04 2.09 2.53 2f33A4 GLU 42 HB3 0.23 0.03 0.09 -0.04 1.99 2.30 2f33A4 GLU 42 HG2 0.25 -0.10 0.02 -0.04 2.34 2.47 2f33A4 GLU 42 HG3 0.13 -0.09 0.10 -0.04 2.34 2.44 2f33A4 LEU 43 H 0.03 0.49 -0.18 -0.55 8.37 8.16 2f33A4 LEU 43 HA 0.08 0.04 0.39 -0.75 4.35 4.11 2f33A4 LEU 43 HB2 0.00 0.04 -0.02 -0.04 1.64 1.62 2f33A4 LEU 43 HB3 0.04 0.07 0.05 -0.04 1.64 1.76 2f33A4 LEU 43 HG 0.02 -0.02 -0.07 -0.04 1.64 1.52 2f33A4 LEU 43 HD13 0.05 0.01 -0.09 -0.04 0.93 0.86 2f33A4 LEU 43 HD23 -0.04 -0.01 -0.09 -0.04 0.89 0.71 2f33A4 LEU 44 H 0.04 0.60 -0.08 -0.55 8.37 8.38 2f33A4 LEU 44 HA 0.03 -0.01 0.32 -0.75 4.35 3.94 2f33A4 LEU 44 HB2 0.03 0.10 -0.06 -0.04 1.64 1.67 2f33A4 LEU 44 HB3 0.03 -0.05 0.09 -0.04 1.64 1.67 2f33A4 LEU 44 HG 0.05 0.03 0.12 -0.04 1.64 1.80 2f33A4 LEU 44 HD13 0.03 0.06 0.00 -0.04 0.93 0.98 2f33A4 LEU 44 HD23 0.04 -0.02 -0.01 -0.04 0.89 0.87 2f33A4 GLN 45 H 0.05 0.10 -1.15 -0.55 8.47 6.93 2f33A4 GLN 45 HA 0.03 0.08 0.59 -0.75 4.36 4.31 2f33A4 GLN 45 HB2 0.05 0.18 0.17 -0.04 2.15 2.51 2f33A4 GLN 45 HB3 0.05 0.02 0.01 -0.04 2.02 2.06 2f33A4 GLN 45 HG2 0.04 -0.05 0.01 -0.04 2.40 2.35 2f33A4 GLN 45 HG3 0.03 -0.00 0.02 -0.04 2.39 2.40 2f33A4 GLN 45 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 2f33A4 GLN 45 HE22 0.03 -0.03 -0.03 -0.04 7.69 7.61 2f33A4 ALA 46 H 0.06 0.57 0.01 -0.55 8.40 8.49 2f33A4 ALA 46 HA 0.04 -0.01 0.41 -0.75 4.34 4.02 2f33A4 ALA 46 HB3 0.06 0.02 -0.00 -0.04 1.41 1.44 2f33A4 ARG 47 H 0.03 0.27 -0.62 -0.55 8.46 7.59 2f33A4 ARG 47 HA 0.02 0.06 0.53 -0.75 4.34 4.19 2f33A4 ARG 47 HB2 0.03 -0.05 0.01 -0.04 1.90 1.85 2f33A4 ARG 47 HB3 0.02 -0.00 -0.13 -0.04 1.80 1.65 2f33A4 ARG 47 HG2 0.02 -0.40 -0.15 -0.04 1.67 1.10 2f33A4 ARG 47 HG3 0.01 0.38 -0.70 -0.04 1.67 1.33 2f33A4 ARG 47 HD2 0.02 -0.08 -0.30 -0.04 3.22 2.82 2f33A4 ARG 47 HD3 0.01 -0.14 -0.07 -0.04 3.22 2.98 2f33A4 LYS 48 H 0.02 0.38 -0.07 -0.55 8.42 8.19 2f33A4 LYS 48 HA 0.01 0.03 0.36 -0.75 4.32 3.97 2f33A4 LYS 48 HB2 0.02 0.03 0.24 -0.04 1.87 2.12 2f33A4 LYS 48 HB3 0.02 -0.04 0.02 -0.04 1.79 1.74 2f33A4 LYS 48 HG2 0.02 -0.06 0.03 -0.04 1.46 1.40 2f33A4 LYS 48 HG3 0.02 0.07 0.13 -0.04 1.46 1.64 2f33A4 LYS 48 HD2 0.02 -0.05 0.00 -0.04 1.69 1.62 2f33A4 LYS 48 HD3 0.02 -0.00 -0.03 -0.04 1.68 1.63 2f33A4 LYS 48 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2f33A4 LYS 48 HE3 0.01 0.01 0.00 -0.04 2.99 2.97 2f33A4 LYS 49 H 0.02 0.90 -0.10 -0.55 8.42 8.68 2f33A4 LYS 49 HA 0.02 0.08 0.58 -0.75 4.32 4.24 2f33A4 LYS 49 HB2 0.03 0.33 0.10 -0.04 1.87 2.29 2f33A4 LYS 49 HB3 0.02 -0.03 -0.08 -0.04 1.79 1.66 2f33A4 LYS 49 HG2 0.02 -0.01 0.02 -0.04 1.46 1.44 2f33A4 LYS 49 HG3 0.02 -0.03 -0.01 -0.04 1.46 1.40 2f33A4 LYS 49 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.62 2f33A4 LYS 49 HD3 0.03 -0.02 -0.07 -0.04 1.68 1.59 2f33A4 LYS 49 HE2 0.03 -0.02 -0.06 -0.04 2.99 2.90 2f33A4 LYS 49 HE3 0.02 0.03 -0.05 -0.04 2.99 2.95 2f33A4 ALA 50 H 0.02 0.31 -0.22 -0.55 8.40 7.96 2f33A4 ALA 50 HA 0.01 0.04 0.49 -0.75 4.34 4.12 2f33A4 ALA 50 HB3 0.01 0.14 0.23 -0.04 1.41 1.75 2f33A4 GLY 51 H 0.01 0.04 -1.27 -0.55 8.43 6.66 2f33A4 GLY 51 HA2 0.01 0.01 0.18 -0.51 4.01 3.70 2f33A4 GLY 51 HA3 0.00 0.01 0.44 -0.51 4.01 3.96 2f33A4 LEU 52 H 0.01 0.75 -0.02 -0.55 8.37 8.55 2f33A4 LEU 52 HA 0.00 0.09 1.02 -0.75 4.35 4.72 2f33A4 LEU 52 HB2 0.01 -0.06 0.07 -0.04 1.64 1.62 2f33A4 LEU 52 HB3 0.00 -0.03 0.01 -0.04 1.64 1.58 2f33A4 LEU 52 HG 0.00 0.15 -0.31 -0.04 1.64 1.45 2f33A4 LEU 52 HD13 -0.00 0.01 0.01 -0.04 0.93 0.91 2f33A4 LEU 52 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 2f33A4 GLU 53 H 0.01 0.11 0.07 -0.55 8.60 8.23 2f33A4 GLU 53 HA 0.01 0.05 0.29 -0.75 4.29 3.89 2f33A4 GLU 53 HB2 0.01 -0.03 0.00 -0.04 2.09 2.03 2f33A4 GLU 53 HB3 0.01 0.02 0.02 -0.04 1.99 1.99 2f33A4 GLU 53 HG2 0.01 0.04 0.00 -0.04 2.34 2.34 2f33A4 GLU 53 HG3 0.01 -0.00 0.02 -0.04 2.34 2.32 2f33A4 LEU 54 H 0.02 0.10 0.12 -0.55 8.37 8.06 2f33A4 LEU 54 HA 0.02 0.17 0.69 -0.75 4.35 4.47 2f33A4 LEU 54 HB2 0.03 0.08 0.09 -0.04 1.64 1.79 2f33A4 LEU 54 HB3 0.03 -0.02 0.07 -0.04 1.64 1.68 2f33A4 LEU 54 HG 0.04 -0.15 -0.06 -0.04 1.64 1.43 2f33A4 LEU 54 HD13 0.03 -0.01 -0.28 -0.04 0.93 0.63 2f33A4 LEU 54 HD23 0.05 0.00 -0.30 -0.04 0.89 0.60 2f33A4 SER 55 H 0.01 0.19 0.19 -0.55 8.46 8.31 2f33A4 SER 55 HA 0.01 0.22 0.43 -0.75 4.49 4.40 2f33A4 SER 55 HB2 -0.00 0.17 0.17 -0.04 3.95 4.24 2f33A4 SER 55 HB3 0.01 -0.14 0.16 -0.04 3.93 3.92 2f33A4 PRO 56 HA 0.03 0.12 0.36 -0.51 4.44 4.44 2f33A4 PRO 56 HB2 0.03 0.06 -0.04 -0.04 2.28 2.29 2f33A4 PRO 56 HB3 0.02 0.09 0.12 -0.04 2.02 2.21 2f33A4 PRO 56 HG2 0.03 0.01 0.10 -0.04 2.03 2.13 2f33A4 PRO 56 HG3 0.02 0.11 0.10 -0.04 2.03 2.21 2f33A4 PRO 56 HD2 0.01 0.10 0.27 -0.04 3.68 4.02 2f33A4 PRO 56 HD3 0.02 0.23 0.20 -0.04 3.65 4.06 2f33A4 GLU 57 H 0.05 0.13 -0.45 -0.55 8.60 7.78 2f33A4 GLU 57 HA 0.11 0.10 0.46 -0.75 4.29 4.21 2f33A4 GLU 57 HB2 0.06 -0.03 0.07 -0.04 2.09 2.16 2f33A4 GLU 57 HB3 0.10 0.17 -0.02 -0.04 1.99 2.19 2f33A4 GLU 57 HG2 0.08 -0.05 -0.03 -0.04 2.34 2.31 2f33A4 GLU 57 HG3 0.12 0.05 -0.01 -0.04 2.34 2.46 2f33A4 MET 58 H 0.06 0.24 -0.14 -0.55 8.47 8.08 2f33A4 MET 58 HA 0.12 0.13 0.61 -0.75 4.52 4.63 2f33A4 MET 58 HB2 0.03 -0.11 0.18 -0.04 2.15 2.21 2f33A4 MET 58 HB3 0.04 -0.01 -0.06 -0.04 2.03 1.96 2f33A4 MET 58 HG2 -0.04 -0.02 -0.09 -0.04 2.63 2.45 2f33A4 MET 58 HG3 -0.02 0.13 0.08 -0.04 2.56 2.72 2f33A4 MET 58 HE3 -0.01 0.00 -0.03 -0.04 2.10 2.02 2f33A4 LYS 59 H 0.06 0.97 -0.06 -0.55 8.42 8.84 2f33A4 LYS 59 HA 0.06 0.06 0.33 -0.75 4.32 4.01 2f33A4 LYS 59 HB2 0.04 0.12 -0.21 -0.04 1.87 1.78 2f33A4 LYS 59 HB3 0.04 0.02 -0.12 -0.04 1.79 1.69 2f33A4 LYS 59 HG2 0.02 0.01 -0.02 -0.04 1.46 1.44 2f33A4 LYS 59 HG3 0.03 -0.03 0.03 -0.04 1.46 1.45 2f33A4 LYS 59 HD2 0.02 -0.12 0.06 -0.04 1.69 1.62 2f33A4 LYS 59 HD3 0.03 0.27 -0.12 -0.04 1.68 1.81 2f33A4 LYS 59 HE2 0.02 0.11 0.01 -0.04 2.99 3.09 2f33A4 LYS 59 HE3 0.02 -0.03 -0.03 -0.04 2.99 2.91 2f33A4 THR 60 H 0.08 0.49 -0.45 -0.55 8.28 7.86 2f33A4 THR 60 HA 0.04 0.07 0.64 -0.75 4.39 4.38 2f33A4 THR 60 HB 0.08 0.03 0.24 -0.04 4.32 4.62 2f33A4 THR 60 HG23 0.01 -0.03 -0.05 -0.04 1.22 1.11 2f33A4 PHE 61 H 0.24 0.64 -0.27 -0.55 8.34 8.40 2f33A4 PHE 61 HA 0.23 -0.06 0.41 -0.75 4.62 4.45 2f33A4 PHE 61 HB2 0.10 0.35 0.30 -0.04 3.15 3.86 2f33A4 PHE 61 HB3 0.07 -0.02 0.14 -0.04 3.06 3.22 2f33A4 PHE 61 HD2 0.11 0.01 -0.06 -0.04 7.28 7.30 2f33A4 PHE 61 HE2 -0.13 -0.01 -0.05 -0.04 7.38 7.14 2f33A4 PHE 61 HZ -0.54 -0.05 -0.13 -0.04 7.32 6.55 2f33A4 VAL 62 H 0.18 0.48 -0.78 -0.55 8.24 7.57 2f33A4 VAL 62 HA 0.13 0.00 0.48 -0.75 4.13 4.00 2f33A4 VAL 62 HB 0.08 0.17 0.13 -0.04 2.12 2.45 2f33A4 VAL 62 HG13 0.04 -0.01 -0.07 -0.04 0.97 0.89 2f33A4 VAL 62 HG23 0.11 -0.01 -0.02 -0.04 0.95 1.00 2f33A4 ASP 63 H 0.05 0.16 -0.11 -0.55 8.40 7.96 2f33A4 ASP 63 HA -0.00 0.06 0.54 -0.75 4.63 4.48 2f33A4 ASP 63 HB2 0.01 0.09 0.15 -0.04 2.71 2.92 2f33A4 ASP 63 HB3 -0.00 -0.07 0.20 -0.04 2.70 2.79 2f33A4 GLN 64 H -0.04 1.75 0.14 -0.55 8.47 9.77 2f33A4 GLN 64 HA -0.16 0.07 0.51 -0.75 4.36 4.03 2f33A4 GLN 64 HB2 -0.12 0.03 -0.05 -0.04 2.15 1.96 2f33A4 GLN 64 HB3 -0.43 -0.03 -0.02 -0.04 2.02 1.50 2f33A4 GLN 64 HG2 -0.19 0.01 0.00 -0.04 2.40 2.18 2f33A4 GLN 64 HG3 -0.17 -0.03 -0.06 -0.04 2.39 2.09 2f33A4 GLN 64 HE21 -0.22 -0.01 -0.06 -0.04 6.97 6.64 2f33A4 GLN 64 HE22 -0.41 -0.02 -0.06 -0.04 7.69 7.15 2f33A4 TYR 65 H -0.16 0.52 -0.02 -0.55 8.29 8.07 2f33A4 TYR 65 HA -0.20 0.03 0.59 -0.75 4.56 4.23 2f33A4 TYR 65 HB2 -0.80 0.61 0.28 -0.04 3.06 3.11 2f33A4 TYR 65 HB3 -0.31 -0.10 0.04 -0.04 2.98 2.57 2f33A4 TYR 65 HD2 -1.14 -0.02 0.05 -0.04 7.15 6.00 2f33A4 TYR 65 HE2 -0.14 0.01 -0.05 -0.04 6.85 6.63 2f33A4 GLY 66 H -0.01 0.24 -0.58 -0.55 8.43 7.53 2f33A4 GLY 66 HA2 0.03 -0.06 0.33 -0.51 4.01 3.80 2f33A4 GLY 66 HA3 0.01 0.33 0.39 -0.51 4.01 4.24 2f33A4 GLN 67 H -0.02 -0.02 -1.41 -0.55 8.47 6.48 2f33A4 GLN 67 HA -0.00 0.17 0.81 -0.75 4.36 4.58 2f33A4 GLN 67 HB2 -0.03 0.07 -0.18 -0.04 2.15 1.97 2f33A4 GLN 67 HB3 -0.04 0.05 -0.07 -0.04 2.02 1.91 2f33A4 GLN 67 HG2 -0.02 -0.05 0.06 -0.04 2.40 2.36 2f33A4 GLN 67 HG3 -0.01 -0.04 0.16 -0.04 2.39 2.46 2f33A4 GLN 67 HE21 -0.01 0.10 -0.08 -0.04 6.97 6.93 2f33A4 GLN 67 HE22 -0.01 -0.02 -0.02 -0.04 7.69 7.59 2f33A4 ARG 68 H 0.03 0.63 -0.12 -0.55 8.46 8.44 2f33A4 ARG 68 HA 0.02 0.05 0.42 -0.75 4.34 4.08 2f33A4 ARG 68 HB2 0.21 0.02 0.23 -0.04 1.90 2.32 2f33A4 ARG 68 HB3 0.18 0.04 0.17 -0.04 1.80 2.14 2f33A4 ARG 68 HG2 0.43 0.01 -0.07 -0.04 1.67 2.01 2f33A4 ARG 68 HG3 0.12 -0.13 -0.01 -0.04 1.67 1.60 2f33A4 ARG 68 HD2 -0.08 0.03 -0.05 -0.04 3.22 3.07 2f33A4 ARG 68 HD3 -0.34 0.01 -0.05 -0.04 3.22 2.81 2f33A4 ASP 69 H 0.01 0.75 -0.14 -0.55 8.40 8.47 2f33A4 ASP 69 HA 0.02 0.04 0.33 -0.75 4.63 4.27 2f33A4 ASP 69 HB2 0.00 0.08 0.12 -0.04 2.71 2.87 2f33A4 ASP 69 HB3 0.00 -0.07 0.06 -0.04 2.70 2.66 2f33A4 ASP 70 H 0.01 0.17 0.05 -0.55 8.40 8.09 2f33A4 ASP 70 HA 0.01 0.15 0.64 -0.75 4.63 4.67 2f33A4 ASP 70 HB2 0.00 0.02 0.10 -0.04 2.71 2.79 2f33A4 ASP 70 HB3 0.00 0.03 0.19 -0.04 2.70 2.88 2f33A4 GLY 71 H 0.04 0.16 -1.15 -0.55 8.43 6.93 2f33A4 GLY 71 HA2 0.04 0.19 0.87 -0.51 4.01 4.60 2f33A4 GLY 71 HA3 0.08 -0.01 0.20 -0.51 4.01 3.77 2f33A4 LYS 72 H 0.09 0.18 0.16 -0.55 8.42 8.30 2f33A4 LYS 72 HA 0.10 0.42 0.85 -0.75 4.32 4.94 2f33A4 LYS 72 HB2 -0.01 -0.02 -0.21 -0.04 1.87 1.59 2f33A4 LYS 72 HB3 -0.04 -0.02 -0.15 -0.04 1.79 1.54 2f33A4 LYS 72 HG2 0.17 -0.10 -0.27 -0.04 1.46 1.22 2f33A4 LYS 72 HG3 0.04 -0.02 -0.19 -0.04 1.46 1.26 2f33A4 LYS 72 HD2 -0.03 0.05 -0.17 -0.04 1.69 1.49 2f33A4 LYS 72 HD3 -0.09 -0.02 -0.12 -0.04 1.68 1.41 2f33A4 LYS 72 HE2 -0.38 -0.07 -0.15 -0.04 2.99 2.36 2f33A4 LYS 72 HE3 -1.26 -0.01 -0.21 -0.04 2.99 1.47 2f33A4 ILE 73 H 0.28 0.27 0.08 -0.55 8.25 8.33 2f33A4 ILE 73 HA 0.33 0.10 0.89 -0.75 4.18 4.74 2f33A4 ILE 73 HB 0.25 -0.09 0.03 -0.04 1.89 2.04 2f33A4 ILE 73 HG12 0.19 0.13 0.07 -0.04 1.49 1.83 2f33A4 ILE 73 HG13 0.58 -0.15 0.16 -0.04 1.21 1.76 2f33A4 ILE 73 HG23 -0.18 -0.00 -0.31 -0.04 0.93 0.40 2f33A4 ILE 73 HD13 0.47 -0.01 -0.08 -0.04 0.88 1.22 2f33A4 GLY 74 H 0.38 0.04 0.14 -0.55 8.43 8.45 2f33A4 GLY 74 HA2 -0.30 0.29 0.76 -0.51 4.01 4.25 2f33A4 GLY 74 HA3 0.01 0.33 0.61 -0.51 4.01 4.44 2f33A4 ILE 75 H -0.10 0.56 0.24 -0.55 8.25 8.40 2f33A4 ILE 75 HA -0.49 0.14 0.48 -0.75 4.18 3.55 2f33A4 ILE 75 HB -0.01 -0.07 0.13 -0.04 1.89 1.90 2f33A4 ILE 75 HG12 -0.15 0.12 -0.19 -0.04 1.49 1.23 2f33A4 ILE 75 HG13 -0.18 0.03 -0.06 -0.04 1.21 0.97 2f33A4 ILE 75 HG23 0.32 -0.00 -0.11 -0.04 0.93 1.10 2f33A4 ILE 75 HD13 -0.23 0.03 -0.07 -0.04 0.88 0.56 2f33A4 VAL 76 H 0.08 0.25 0.17 -0.55 8.24 8.19 2f33A4 VAL 76 HA 0.20 0.04 0.33 -0.75 4.13 3.95 2f33A4 VAL 76 HB 0.11 0.12 0.13 -0.04 2.12 2.44 2f33A4 VAL 76 HG13 0.06 0.00 0.00 -0.04 0.97 1.00 2f33A4 VAL 76 HG23 0.04 -0.02 -0.11 -0.04 0.95 0.82 2f33A4 GLU 77 H 0.07 0.11 -0.26 -0.55 8.60 7.97 2f33A4 GLU 77 HA 0.10 0.09 0.31 -0.75 4.29 4.04 2f33A4 GLU 77 HB2 0.17 -0.05 0.08 -0.04 2.09 2.26 2f33A4 GLU 77 HB3 0.19 0.06 -0.04 -0.04 1.99 2.17 2f33A4 GLU 77 HG2 0.08 0.04 -0.01 -0.04 2.34 2.41 2f33A4 GLU 77 HG3 0.55 0.02 -0.06 -0.04 2.34 2.81 2f33A4 LEU 78 H -0.06 0.25 -0.39 -0.55 8.37 7.63 2f33A4 LEU 78 HA -0.30 0.07 0.54 -0.75 4.35 3.90 2f33A4 LEU 78 HB2 0.37 0.04 0.03 -0.04 1.64 2.04 2f33A4 LEU 78 HB3 -0.18 0.09 0.00 -0.04 1.64 1.51 2f33A4 LEU 78 HG 1.24 0.00 -0.03 -0.04 1.64 2.81 2f33A4 LEU 78 HD13 0.41 -0.02 -0.08 -0.04 0.93 1.20 2f33A4 LEU 78 HD23 0.08 -0.01 -0.02 -0.04 0.89 0.90 2f33A4 ALA 79 H -0.56 0.72 -0.09 -0.55 8.40 7.93 2f33A4 ALA 79 HA -3.40 -0.03 0.31 -0.75 4.34 0.46 2f33A4 ALA 79 HB3 -1.23 -0.02 -0.01 -0.04 1.41 0.11 2f33A4 HIS 80 H -0.39 0.53 -0.16 -0.55 8.41 7.85 2f33A4 HIS 80 HA -0.37 0.00 0.54 -0.75 4.63 4.05 2f33A4 HIS 80 HB2 -0.30 -0.05 -0.01 -0.04 3.26 2.86 2f33A4 HIS 80 HB3 -0.18 0.08 -0.05 -0.04 3.20 3.01 2f33A4 HIS 80 HD2 -0.08 0.02 -0.11 -0.04 6.97 6.76 2f33A4 HIS 80 HE1 -0.08 0.12 0.07 -0.04 7.75 7.82 2f33A4 VAL 81 H -0.31 0.19 -0.44 -0.55 8.24 7.13 2f33A4 VAL 81 HA -0.10 -0.03 0.36 -0.75 4.13 3.60 2f33A4 VAL 81 HB -0.88 0.21 0.17 -0.04 2.12 1.58 2f33A4 VAL 81 HG13 -0.47 0.07 0.06 -0.04 0.97 0.59 2f33A4 VAL 81 HG23 -0.64 -0.03 -0.07 -0.04 0.95 0.16 2f33A4 LEU 82 H -0.28 0.32 -0.22 -0.55 8.37 7.64 2f33A4 LEU 82 HA -0.10 0.14 0.71 -0.75 4.35 4.35 2f33A4 LEU 82 HB2 -0.04 0.11 -0.02 -0.04 1.64 1.65 2f33A4 LEU 82 HB3 -0.02 -0.06 0.03 -0.04 1.64 1.55 2f33A4 LEU 82 HG -0.12 0.09 0.08 -0.04 1.64 1.64 2f33A4 LEU 82 HD13 -0.33 -0.06 0.02 -0.04 0.93 0.52 2f33A4 LEU 82 HD23 0.20 -0.03 -0.05 -0.04 0.89 0.97 2f33A4 PRO 83 HA -0.17 -0.02 0.42 -0.51 4.44 4.16 2f33A4 PRO 83 HB2 -0.05 0.10 0.17 -0.04 2.28 2.45 2f33A4 PRO 83 HB3 -0.07 -0.06 0.09 -0.04 2.02 1.94 2f33A4 PRO 83 HG2 -0.03 0.12 0.13 -0.04 2.03 2.21 2f33A4 PRO 83 HG3 -0.06 -0.04 0.10 -0.04 2.03 1.99 2f33A4 PRO 83 HD2 -0.04 0.43 0.24 -0.04 3.68 4.28 2f33A4 PRO 83 HD3 -0.05 0.04 0.27 -0.04 3.65 3.87 2f33A4 THR 84 H -0.25 0.73 0.27 -0.55 8.28 8.49 2f33A4 THR 84 HA -0.08 -0.15 1.00 -0.75 4.39 4.41 2f33A4 THR 84 HB -0.35 0.34 0.16 -0.04 4.32 4.43 2f33A4 THR 84 HG23 -0.35 -0.07 -0.32 -0.04 1.22 0.44 2f33A4 GLU 85 H -0.27 0.22 0.01 -0.55 8.60 8.01 2f33A4 GLU 85 HA 0.14 0.06 0.36 -0.75 4.29 4.10 2f33A4 GLU 85 HB2 -0.17 0.07 -0.30 -0.04 2.09 1.65 2f33A4 GLU 85 HB3 0.12 -0.23 0.01 -0.04 1.99 1.85 2f33A4 GLU 85 HG2 -0.17 -0.04 0.10 -0.04 2.34 2.19 2f33A4 GLU 85 HG3 -0.14 0.30 -0.24 -0.04 2.34 2.23 2f33A4 GLU 86 H -0.14 0.22 0.03 -0.55 8.60 8.17 2f33A4 GLU 86 HA -0.69 0.16 0.37 -0.75 4.29 3.39 2f33A4 GLU 86 HB2 -0.29 0.09 0.12 -0.04 2.09 1.97 2f33A4 GLU 86 HB3 -0.12 -0.09 0.13 -0.04 1.99 1.87 2f33A4 GLU 86 HG2 -0.02 -0.01 -0.10 -0.04 2.34 2.17 2f33A4 GLU 86 HG3 0.10 0.02 -0.02 -0.04 2.34 2.41 2f33A4 ASN 87 H -0.12 0.09 -0.09 -0.55 8.53 7.87 2f33A4 ASN 87 HA -0.09 0.19 0.52 -0.75 4.76 4.63 2f33A4 ASN 87 HB2 -0.50 -0.06 0.11 -0.04 2.88 2.39 2f33A4 ASN 87 HB3 -0.43 0.03 -0.04 -0.04 2.79 2.31 2f33A4 ASN 87 HD21 -0.10 0.07 0.00 -0.04 7.03 6.96 2f33A4 ASN 87 HD22 -0.19 -0.02 0.02 -0.04 7.74 7.51 2f33A4 PHE 88 H -0.32 0.06 -0.14 -0.55 8.34 7.38 2f33A4 PHE 88 HA 0.03 0.01 0.36 -0.75 4.62 4.26 2f33A4 PHE 88 HB2 -0.04 0.11 -0.01 -0.04 3.15 3.16 2f33A4 PHE 88 HB3 0.03 -0.07 0.08 -0.04 3.06 3.06 2f33A4 PHE 88 HD2 -0.02 -0.11 -0.00 -0.04 7.28 7.11 2f33A4 PHE 88 HE2 -0.01 0.01 -0.00 -0.04 7.38 7.33 2f33A4 PHE 88 HZ -0.01 0.06 -0.00 -0.04 7.32 7.33 2f33A4 LEU 89 H 0.05 0.39 -0.74 -0.55 8.37 7.53 2f33A4 LEU 89 HA 0.03 -0.03 0.46 -0.75 4.35 4.06 2f33A4 LEU 89 HB2 0.07 0.27 0.10 -0.04 1.64 2.05 2f33A4 LEU 89 HB3 0.05 -0.04 -0.11 -0.04 1.64 1.50 2f33A4 LEU 89 HG -0.73 -0.09 -0.12 -0.04 1.64 0.66 2f33A4 LEU 89 HD13 -0.44 -0.02 -0.52 -0.04 0.93 -0.10 2f33A4 LEU 89 HD23 -0.97 -0.03 -0.14 -0.04 0.89 -0.29 2f33A4 LEU 90 H 0.04 0.53 -0.20 -0.55 8.37 8.19 2f33A4 LEU 90 HA 0.01 0.07 0.32 -0.75 4.35 4.00 2f33A4 LEU 90 HB2 0.00 0.12 0.21 -0.04 1.64 1.93 2f33A4 LEU 90 HB3 0.02 -0.02 0.03 -0.04 1.64 1.63 2f33A4 LEU 90 HG 0.01 -0.02 0.07 -0.04 1.64 1.65 2f33A4 LEU 90 HD13 -0.02 0.01 0.04 -0.04 0.93 0.92 2f33A4 LEU 90 HD23 0.00 0.00 0.01 -0.04 0.89 0.86 2f33A4 LEU 91 H 0.10 0.20 -0.45 -0.55 8.37 7.67 2f33A4 LEU 91 HA 0.12 0.19 0.62 -0.75 4.35 4.53 2f33A4 LEU 91 HB2 0.24 0.05 -0.02 -0.04 1.64 1.87 2f33A4 LEU 91 HB3 0.17 -0.02 0.12 -0.04 1.64 1.87 2f33A4 LEU 91 HG 0.08 0.05 -0.05 -0.04 1.64 1.68 2f33A4 LEU 91 HD13 0.10 0.05 0.04 -0.04 0.93 1.08 2f33A4 LEU 91 HD23 0.09 -0.03 0.02 -0.04 0.89 0.93 2f33A4 PHE 92 H 0.14 0.09 -0.25 -0.55 8.34 7.77 2f33A4 PHE 92 HA -1.49 0.02 0.36 -0.75 4.62 2.76 2f33A4 PHE 92 HB2 -0.35 0.06 0.14 -0.04 3.15 2.96 2f33A4 PHE 92 HB3 -0.21 0.20 0.24 -0.04 3.06 3.25 2f33A4 PHE 92 HD2 -0.34 0.03 -0.25 -0.04 7.28 6.68 2f33A4 PHE 92 HE2 -0.11 -0.11 -0.21 -0.04 7.38 6.91 2f33A4 PHE 92 HZ 0.19 0.03 -0.14 -0.04 7.32 7.36 2f33A4 ARG 93 H 0.11 0.59 -0.47 -0.55 8.46 8.14 2f33A4 ARG 93 HA 0.03 0.13 0.73 -0.75 4.34 4.48 2f33A4 ARG 93 HB2 0.00 -0.10 0.03 -0.04 1.90 1.79 2f33A4 ARG 93 HB3 0.06 -0.01 -0.05 -0.04 1.80 1.76 2f33A4 ARG 93 HG2 0.04 0.29 -0.14 -0.04 1.67 1.81 2f33A4 ARG 93 HG3 -0.01 -0.02 -0.12 -0.04 1.67 1.48 2f33A4 ARG 93 HD2 0.00 -0.06 -0.18 -0.04 3.22 2.94 2f33A4 ARG 93 HD3 -0.01 -0.11 -0.41 -0.04 3.22 2.65 2f33A4 CYS 94 H 0.12 0.57 -0.77 -0.55 8.50 7.87 2f33A4 CYS 94 HA 0.06 0.07 0.33 -0.75 4.58 4.28 2f33A4 CYS 94 HB2 0.21 0.29 0.10 -0.04 2.97 3.53 2f33A4 CYS 94 HB3 0.12 -0.07 -0.11 -0.04 2.97 2.87 2f33A4 GLN 95 H -0.14 0.12 -0.71 -0.55 8.47 7.20 2f33A4 GLN 95 HA -0.73 0.08 0.55 -0.75 4.36 3.50 2f33A4 GLN 95 HB2 -0.66 0.02 -0.04 -0.04 2.15 1.43 2f33A4 GLN 95 HB3 -3.05 -0.01 0.05 -0.04 2.02 -1.03 2f33A4 GLN 95 HG2 -0.47 -0.02 -0.05 -0.04 2.40 1.82 2f33A4 GLN 95 HG3 -0.20 -0.04 -0.10 -0.04 2.39 2.01 2f33A4 GLN 95 HE21 0.14 -0.01 -0.02 -0.04 6.97 7.04 2f33A4 GLN 95 HE22 0.03 -0.01 0.02 -0.04 7.69 7.70 2f33A4 GLN 96 H -0.15 0.28 -0.13 -0.55 8.47 7.92 2f33A4 GLN 96 HA -0.03 0.04 0.60 -0.75 4.36 4.21 2f33A4 GLN 96 HB2 -0.02 0.07 -0.04 -0.04 2.15 2.12 2f33A4 GLN 96 HB3 -0.00 -0.04 0.04 -0.04 2.02 1.98 2f33A4 GLN 96 HG2 0.00 -0.01 -0.17 -0.04 2.40 2.19 2f33A4 GLN 96 HG3 -0.09 -0.11 -0.19 -0.04 2.39 1.95 2f33A4 GLN 96 HE21 0.01 -0.00 0.00 -0.04 6.97 6.94 2f33A4 GLN 96 HE22 0.03 0.01 0.07 -0.04 7.69 7.75 2f33A4 LEU 97 H -0.01 0.40 -0.22 -0.55 8.37 7.99 2f33A4 LEU 97 HA 0.01 0.04 0.30 -0.75 4.35 3.94 2f33A4 LEU 97 HB2 0.02 0.01 0.01 -0.04 1.64 1.64 2f33A4 LEU 97 HB3 0.03 0.02 -0.11 -0.04 1.64 1.53 2f33A4 LEU 97 HG 0.05 0.01 -0.02 -0.04 1.64 1.64 2f33A4 LEU 97 HD13 0.07 -0.03 0.05 -0.04 0.93 0.98 2f33A4 LEU 97 HD23 0.04 0.00 -0.35 -0.04 0.89 0.54 2f33A4 LYS 98 H 0.06 0.04 -0.22 -0.55 8.42 7.74 2f33A4 LYS 98 HA 0.03 0.27 0.98 -0.75 4.32 4.85 2f33A4 LYS 98 HB2 0.04 -0.02 -0.03 -0.04 1.87 1.82 2f33A4 LYS 98 HB3 0.04 0.06 -0.06 -0.04 1.79 1.78 2f33A4 LYS 98 HG2 0.06 0.07 -0.02 -0.04 1.46 1.52 2f33A4 LYS 98 HG3 0.09 -0.11 0.13 -0.04 1.46 1.52 2f33A4 LYS 98 HD2 0.08 -0.12 -0.06 -0.04 1.69 1.54 2f33A4 LYS 98 HD3 0.05 0.03 -0.08 -0.04 1.68 1.64 2f33A4 LYS 98 HE2 0.06 -0.05 -0.12 -0.04 2.99 2.83 2f33A4 LYS 98 HE3 0.05 0.06 -0.06 -0.04 2.99 3.00 2f33A4 SER 99 H 0.11 0.15 0.09 -0.55 8.46 8.26 2f33A4 SER 99 HA 0.07 0.19 0.66 -0.75 4.49 4.67 2f33A4 SER 99 HB2 0.07 0.04 -0.12 -0.04 3.95 3.90 2f33A4 SER 99 HB3 0.07 -0.42 0.02 -0.04 3.93 3.56 2f33A4 CYS 100 H 0.10 0.18 0.20 -0.55 8.50 8.44 2f33A4 CYS 100 HA 0.50 0.29 0.63 -0.75 4.58 5.25 2f33A4 CYS 100 HB2 0.12 -0.01 -0.07 -0.04 2.97 2.97 2f33A4 CYS 100 HB3 0.12 0.04 0.18 -0.04 2.97 3.27 2f33A4 GLU 101 H 0.05 0.06 0.03 -0.55 8.60 8.19 2f33A4 GLU 101 HA -0.14 0.14 0.57 -0.75 4.29 4.10 2f33A4 GLU 101 HB2 0.01 0.03 0.00 -0.04 2.09 2.09 2f33A4 GLU 101 HB3 -0.01 0.02 0.07 -0.04 1.99 2.03 2f33A4 GLU 101 HG2 0.00 0.03 0.02 -0.04 2.34 2.35 2f33A4 GLU 101 HG3 0.01 -0.14 0.04 -0.04 2.34 2.22 2f33A4 GLU 102 H 0.04 -0.04 -0.30 -0.55 8.60 7.76 2f33A4 GLU 102 HA -0.03 0.18 0.53 -0.75 4.29 4.22 2f33A4 GLU 102 HB2 0.04 -0.06 0.04 -0.04 2.09 2.07 2f33A4 GLU 102 HB3 0.07 0.06 -0.03 -0.04 1.99 2.05 2f33A4 GLU 102 HG2 0.01 0.01 -0.02 -0.04 2.34 2.30 2f33A4 GLU 102 HG3 0.03 0.04 -0.05 -0.04 2.34 2.32 2f33A4 PHE 103 H 0.22 0.40 -0.04 -0.55 8.34 8.37 2f33A4 PHE 103 HA 0.04 0.07 0.36 -0.75 4.62 4.33 2f33A4 PHE 103 HB2 0.07 0.05 0.13 -0.04 3.15 3.35 2f33A4 PHE 103 HB3 0.04 0.32 0.37 -0.04 3.06 3.75 2f33A4 PHE 103 HD2 0.07 0.07 0.09 -0.04 7.28 7.47 2f33A4 PHE 103 HE2 0.00 -0.08 0.01 -0.04 7.38 7.27 2f33A4 PHE 103 HZ -0.08 -0.03 -0.13 -0.04 7.32 7.03 2f33A4 MET 104 H -0.97 0.20 -0.65 -0.55 8.47 6.50 2f33A4 MET 104 HA -0.63 -0.02 0.32 -0.75 4.52 3.44 2f33A4 MET 104 HB2 -0.62 0.12 0.00 -0.04 2.15 1.62 2f33A4 MET 104 HB3 -0.31 0.07 -0.17 -0.04 2.03 1.59 2f33A4 MET 104 HG2 -0.58 -0.04 -0.05 -0.04 2.63 1.92 2f33A4 MET 104 HG3 -0.91 -0.01 -0.02 -0.04 2.56 1.58 2f33A4 MET 104 HE3 -0.16 -0.06 -0.27 -0.04 2.10 1.57 2f33A4 LYS 105 H -0.17 0.33 -0.25 -0.55 8.42 7.78 2f33A4 LYS 105 HA -0.08 0.60 0.41 -0.75 4.32 4.50 2f33A4 LYS 105 HB2 -0.06 -0.10 0.26 -0.04 1.87 1.93 2f33A4 LYS 105 HB3 -0.05 0.05 0.11 -0.04 1.79 1.87 2f33A4 LYS 105 HG2 -0.04 -0.09 -0.01 -0.04 1.46 1.28 2f33A4 LYS 105 HG3 -0.08 0.10 0.22 -0.04 1.46 1.67 2f33A4 LYS 105 HD2 -0.02 0.12 0.10 -0.04 1.69 1.85 2f33A4 LYS 105 HD3 -0.02 -0.07 0.07 -0.04 1.68 1.62 2f33A4 LYS 105 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 2f33A4 LYS 105 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.94 2f33A4 THR 106 H -0.03 0.29 -0.70 -0.55 8.28 7.28 2f33A4 THR 106 HA -0.12 0.07 0.56 -0.75 4.39 4.15 2f33A4 THR 106 HB 0.12 0.31 0.21 -0.04 4.32 4.93 2f33A4 THR 106 HG23 0.17 -0.03 -0.12 -0.04 1.22 1.20 2f33A4 TRP 107 H 0.13 0.44 -0.02 -0.55 7.97 7.98 2f33A4 TRP 107 HA -0.25 -0.02 0.34 -0.75 4.62 3.93 2f33A4 TRP 107 HB2 0.29 -0.08 0.03 -0.04 3.23 3.43 2f33A4 TRP 107 HB3 -0.06 0.11 0.21 -0.04 3.23 3.44 2f33A4 TRP 107 HD1 -0.17 0.18 -0.02 -0.04 7.22 7.17 2f33A4 TRP 107 HE1 -0.04 0.01 -0.09 -0.04 10.20 10.04 2f33A4 TRP 107 HE3 0.61 -0.02 -0.08 -0.04 7.59 8.07 2f33A4 TRP 107 HZ2 0.09 0.29 -0.27 -0.04 7.44 7.51 2f33A4 TRP 107 HZ3 0.12 -0.03 -0.28 -0.04 7.13 6.90 2f33A4 TRP 107 HH2 0.11 0.26 0.27 -0.04 7.19 7.80 2f33A4 ARG 108 H -0.11 0.48 -0.25 -0.55 8.46 8.03 2f33A4 ARG 108 HA -1.02 -0.04 0.53 -0.75 4.34 3.06 2f33A4 ARG 108 HB2 -0.33 -0.14 0.08 -0.04 1.90 1.47 2f33A4 ARG 108 HB3 0.03 0.04 0.06 -0.04 1.80 1.89 2f33A4 ARG 108 HG2 -1.38 -0.03 -0.50 -0.04 1.67 -0.29 2f33A4 ARG 108 HG3 -0.78 0.14 -0.01 -0.04 1.67 0.99 2f33A4 ARG 108 HD2 -0.18 0.07 0.27 -0.04 3.22 3.34 2f33A4 ARG 108 HD3 -0.25 -0.07 0.01 -0.04 3.22 2.87 2f33A4 LYS 109 H -0.69 0.30 -0.45 -0.55 8.42 7.03 2f33A4 LYS 109 HA -0.24 0.07 0.30 -0.75 4.32 3.70 2f33A4 LYS 109 HB2 -0.54 0.15 0.15 -0.04 1.87 1.58 2f33A4 LYS 109 HB3 -0.15 -0.05 -0.01 -0.04 1.79 1.54 2f33A4 LYS 109 HG2 -0.17 -0.01 0.10 -0.04 1.46 1.33 2f33A4 LYS 109 HG3 -0.24 0.17 0.31 -0.04 1.46 1.67 2f33A4 LYS 109 HD2 -0.05 -0.02 0.03 -0.04 1.69 1.61 2f33A4 LYS 109 HD3 -0.05 -0.05 0.01 -0.04 1.68 1.56 2f33A4 LYS 109 HE2 -0.03 -0.04 -0.02 -0.04 2.99 2.86 2f33A4 LYS 109 HE3 -0.07 0.12 -0.12 -0.04 2.99 2.88 2f33A4 TYR 110 H -1.75 0.27 -0.29 -0.55 8.29 5.97 2f33A4 TYR 110 HA -0.09 0.19 0.62 -0.75 4.56 4.53 2f33A4 TYR 110 HB2 -0.07 -0.10 -0.03 -0.04 3.06 2.83 2f33A4 TYR 110 HB3 -0.09 0.03 0.04 -0.04 2.98 2.92 2f33A4 TYR 110 HD2 -0.14 -0.08 -0.06 -0.04 7.15 6.83 2f33A4 TYR 110 HE2 -1.65 -0.07 -0.02 -0.04 6.85 5.08 2f33A4 ASP 111 H -0.52 0.20 -0.66 -0.55 8.40 6.87 2f33A4 ASP 111 HA -0.17 -0.07 0.34 -0.75 4.63 3.97 2f33A4 ASP 111 HB2 -0.77 0.16 0.14 -0.04 2.71 2.19 2f33A4 ASP 111 HB3 -0.33 0.22 0.23 -0.04 2.70 2.78 2f33A4 THR 112 H -0.05 1.16 -0.20 -0.55 8.28 8.65 2f33A4 THR 112 HA -0.05 0.07 0.37 -0.75 4.39 4.02 2f33A4 THR 112 HB -0.10 -0.04 0.22 -0.04 4.32 4.35 2f33A4 THR 112 HG23 -0.07 0.02 0.03 -0.04 1.22 1.16 2f33A4 ASP 113 H -0.12 0.12 0.31 -0.55 8.40 8.16 2f33A4 ASP 113 HA -0.38 0.25 0.79 -0.75 4.63 4.54 2f33A4 ASP 113 HB2 -0.16 -0.09 0.01 -0.04 2.71 2.44 2f33A4 ASP 113 HB3 -0.26 0.02 0.11 -0.04 2.70 2.53 2f33A4 HIS 114 H -0.03 0.59 -0.10 -0.55 8.41 8.33 2f33A4 HIS 114 HA -0.20 -0.05 0.39 -0.75 4.63 4.02 2f33A4 HIS 114 HB2 -0.13 0.10 0.44 -0.04 3.26 3.63 2f33A4 HIS 114 HB3 -0.06 -0.04 0.12 -0.04 3.20 3.18 2f33A4 HIS 114 HD2 -0.12 -0.02 -0.09 -0.04 6.97 6.70 2f33A4 HIS 114 HE1 -0.15 0.04 -0.14 -0.04 7.75 7.45 2f33A4 SER 115 H -0.15 0.26 0.19 -0.55 8.46 8.21 2f33A4 SER 115 HA -0.11 0.16 0.53 -0.75 4.49 4.31 2f33A4 SER 115 HB2 -0.30 0.04 0.16 -0.04 3.95 3.81 2f33A4 SER 115 HB3 -0.61 0.00 0.10 -0.04 3.93 3.38 2f33A4 GLY 116 H -0.07 0.04 -0.26 -0.55 8.43 7.59 2f33A4 GLY 116 HA2 0.29 0.03 0.36 -0.51 4.01 4.18 2f33A4 GLY 116 HA3 0.15 0.27 0.90 -0.51 4.01 4.82 2f33A4 PHE 117 H -0.47 0.11 -0.28 -0.55 8.34 7.15 2f33A4 PHE 117 HA 0.37 0.32 0.88 -0.75 4.62 5.43 2f33A4 PHE 117 HB2 -0.00 -0.05 -0.21 -0.04 3.15 2.85 2f33A4 PHE 117 HB3 0.07 -0.03 -0.17 -0.04 3.06 2.89 2f33A4 PHE 117 HD2 0.04 0.03 -0.40 -0.04 7.28 6.91 2f33A4 PHE 117 HE2 0.04 -0.01 -0.02 -0.04 7.38 7.35 2f33A4 PHE 117 HZ 0.06 0.03 -0.00 -0.04 7.32 7.37 2f33A4 ILE 118 H -0.02 0.70 0.38 -0.55 8.25 8.77 2f33A4 ILE 118 HA -0.13 0.06 0.67 -0.75 4.18 4.02 2f33A4 ILE 118 HB -0.12 0.02 0.10 -0.04 1.89 1.85 2f33A4 ILE 118 HG12 -0.32 0.13 0.16 -0.04 1.49 1.43 2f33A4 ILE 118 HG13 0.01 0.04 0.02 -0.04 1.21 1.24 2f33A4 ILE 118 HG23 0.11 -0.04 -0.17 -0.04 0.93 0.79 2f33A4 ILE 118 HD13 -1.37 0.03 -0.12 -0.04 0.88 -0.62 2f33A4 GLU 119 H -0.03 0.09 0.21 -0.55 8.60 8.32 2f33A4 GLU 119 HA 0.02 0.23 0.50 -0.75 4.29 4.29 2f33A4 GLU 119 HB2 -0.02 0.12 0.22 -0.04 2.09 2.37 2f33A4 GLU 119 HB3 -0.01 -0.38 0.20 -0.04 1.99 1.76 2f33A4 GLU 119 HG2 0.01 -0.05 0.15 -0.04 2.34 2.40 2f33A4 GLU 119 HG3 0.02 0.13 0.08 -0.04 2.34 2.52 2f33A4 THR 120 H -0.00 0.13 0.21 -0.55 8.28 8.06 2f33A4 THR 120 HA -0.03 0.42 0.84 -0.75 4.39 4.86 2f33A4 THR 120 HB -0.01 0.16 0.01 -0.04 4.32 4.44 2f33A4 THR 120 HG23 -0.00 -0.05 0.09 -0.04 1.22 1.22 2f33A4 GLU 121 H -0.01 0.02 0.14 -0.55 8.60 8.20 2f33A4 GLU 121 HA -0.01 0.21 0.57 -0.75 4.29 4.30 2f33A4 GLU 121 HB2 -0.01 -0.02 0.08 -0.04 2.09 2.10 2f33A4 GLU 121 HB3 -0.01 0.10 0.08 -0.04 1.99 2.11 2f33A4 GLU 121 HG2 -0.01 -0.07 0.00 -0.04 2.34 2.22 2f33A4 GLU 121 HG3 -0.01 0.04 0.06 -0.04 2.34 2.39 2f33A4 GLU 122 H -0.01 -0.12 -0.28 -0.55 8.60 7.64 2f33A4 GLU 122 HA 0.01 0.25 0.55 -0.75 4.29 4.34 2f33A4 GLU 122 HB2 -0.01 -0.16 0.19 -0.04 2.09 2.07 2f33A4 GLU 122 HB3 0.00 0.03 0.03 -0.04 1.99 2.01 2f33A4 GLU 122 HG2 -0.03 0.01 0.09 -0.04 2.34 2.37 2f33A4 GLU 122 HG3 0.01 0.20 0.13 -0.04 2.34 2.63 2f33A4 LEU 123 H -0.03 0.32 -0.30 -0.55 8.37 7.81 2f33A4 LEU 123 HA -0.04 0.04 0.38 -0.75 4.35 3.97 2f33A4 LEU 123 HB2 -0.13 0.08 0.03 -0.04 1.64 1.58 2f33A4 LEU 123 HB3 -0.13 0.09 0.09 -0.04 1.64 1.65 2f33A4 LEU 123 HG -0.28 0.06 -0.13 -0.04 1.64 1.26 2f33A4 LEU 123 HD13 -0.51 0.01 -0.25 -0.04 0.93 0.14 2f33A4 LEU 123 HD23 -0.95 -0.02 0.02 -0.04 0.89 -0.11 2f33A4 LYS 124 H -0.06 0.31 -0.43 -0.55 8.42 7.69 2f33A4 LYS 124 HA -0.07 -0.00 0.32 -0.75 4.32 3.81 2f33A4 LYS 124 HB2 -0.03 0.14 0.14 -0.04 1.87 2.08 2f33A4 LYS 124 HB3 -0.02 -0.03 -0.01 -0.04 1.79 1.69 2f33A4 LYS 124 HG2 -0.02 -0.02 0.05 -0.04 1.46 1.42 2f33A4 LYS 124 HG3 -0.03 -0.11 0.05 -0.04 1.46 1.34 2f33A4 LYS 124 HD2 -0.06 -0.12 -0.05 -0.04 1.69 1.42 2f33A4 LYS 124 HD3 -0.06 0.06 0.18 -0.04 1.68 1.82 2f33A4 LYS 124 HE2 -0.03 0.02 0.19 -0.04 2.99 3.12 2f33A4 LYS 124 HE3 -0.02 -0.04 0.04 -0.04 2.99 2.92 2f33A4 ASN 125 H -0.01 0.08 -1.01 -0.55 8.53 7.04 2f33A4 ASN 125 HA -0.02 0.05 0.58 -0.75 4.76 4.62 2f33A4 ASN 125 HB2 -0.00 0.12 0.19 -0.04 2.88 3.14 2f33A4 ASN 125 HB3 0.01 0.13 0.22 -0.04 2.79 3.11 2f33A4 ASN 125 HD21 -0.01 0.01 0.05 -0.04 7.03 7.05 2f33A4 ASN 125 HD22 -0.00 -0.00 0.04 -0.04 7.74 7.73 2f33A4 PHE 126 H 0.06 0.51 0.07 -0.55 8.34 8.42 2f33A4 PHE 126 HA -0.76 -0.00 0.37 -0.75 4.62 3.47 2f33A4 PHE 126 HB2 -0.02 -0.06 0.03 -0.04 3.15 3.06 2f33A4 PHE 126 HB3 -0.17 0.25 0.42 -0.04 3.06 3.52 2f33A4 PHE 126 HD2 -0.12 0.01 -0.35 -0.04 7.28 6.77 2f33A4 PHE 126 HE2 0.12 -0.00 -0.07 -0.04 7.38 7.39 2f33A4 PHE 126 HZ 0.49 -0.03 -0.05 -0.04 7.32 7.69 2f33A4 LEU 127 H 0.07 0.64 -0.13 -0.55 8.37 8.40 2f33A4 LEU 127 HA 0.06 0.01 0.30 -0.75 4.35 3.97 2f33A4 LEU 127 HB2 -0.09 -0.08 -0.01 -0.04 1.64 1.42 2f33A4 LEU 127 HB3 -0.17 0.01 0.04 -0.04 1.64 1.49 2f33A4 LEU 127 HG -0.04 0.01 -0.17 -0.04 1.64 1.40 2f33A4 LEU 127 HD13 -0.01 -0.03 -0.24 -0.04 0.93 0.61 2f33A4 LEU 127 HD23 -0.07 0.01 0.07 -0.04 0.89 0.86 2f33A4 LYS 128 H -0.07 0.33 -0.57 -0.55 8.42 7.56 2f33A4 LYS 128 HA -0.02 0.04 0.42 -0.75 4.32 4.01 2f33A4 LYS 128 HB2 -0.05 0.11 0.18 -0.04 1.87 2.08 2f33A4 LYS 128 HB3 -0.02 0.02 0.08 -0.04 1.79 1.84 2f33A4 LYS 128 HG2 -0.01 -0.11 0.03 -0.04 1.46 1.33 2f33A4 LYS 128 HG3 -0.03 0.11 0.23 -0.04 1.46 1.73 2f33A4 LYS 128 HD2 -0.01 0.01 0.06 -0.04 1.69 1.71 2f33A4 LYS 128 HD3 -0.00 -0.07 0.03 -0.04 1.68 1.60 2f33A4 LYS 128 HE2 -0.02 0.00 0.10 -0.04 2.99 3.04 2f33A4 LYS 128 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.95 2f33A4 ASP 129 H -0.17 0.44 0.04 -0.55 8.40 8.16 2f33A4 ASP 129 HA -0.05 0.05 0.40 -0.75 4.63 4.28 2f33A4 ASP 129 HB2 -0.24 0.05 0.14 -0.04 2.71 2.62 2f33A4 ASP 129 HB3 0.02 0.01 -0.02 -0.04 2.70 2.67 2f33A4 LEU 130 H -0.33 0.52 -0.35 -0.55 8.37 7.66 2f33A4 LEU 130 HA -0.04 0.11 0.51 -0.75 4.35 4.17 2f33A4 LEU 130 HB2 -0.63 0.18 -0.01 -0.04 1.64 1.14 2f33A4 LEU 130 HB3 -0.08 -0.01 -0.02 -0.04 1.64 1.48 2f33A4 LEU 130 HG 0.03 0.03 -0.12 -0.04 1.64 1.53 2f33A4 LEU 130 HD13 0.15 -0.03 -0.15 -0.04 0.93 0.87 2f33A4 LEU 130 HD23 0.10 0.00 -0.10 -0.04 0.89 0.86 2f33A4 LEU 131 H -0.04 0.76 0.00 -0.55 8.37 8.54 2f33A4 LEU 131 HA 0.09 0.03 0.46 -0.75 4.35 4.17 2f33A4 LEU 131 HB2 0.04 0.32 0.18 -0.04 1.64 2.14 2f33A4 LEU 131 HB3 0.10 -0.21 -0.04 -0.04 1.64 1.45 2f33A4 LEU 131 HG 0.27 -0.14 -0.09 -0.04 1.64 1.64 2f33A4 LEU 131 HD13 0.08 0.02 -0.05 -0.04 0.93 0.95 2f33A4 LEU 131 HD23 0.10 -0.06 -0.11 -0.04 0.89 0.78 2f33A4 GLU 132 H -0.01 0.67 -0.32 -0.55 8.60 8.40 2f33A4 GLU 132 HA 0.02 -0.20 0.17 -0.75 4.29 3.52 2f33A4 GLU 132 HB2 -0.01 0.45 0.16 -0.04 2.09 2.65 2f33A4 GLU 132 HB3 0.00 0.04 -0.13 -0.04 1.99 1.87 2f33A4 GLU 132 HG2 0.01 -0.14 0.00 -0.04 2.34 2.17 2f33A4 GLU 132 HG3 0.00 0.00 -0.00 -0.04 2.34 2.30 2f33A4 LYS 133 H 0.02 0.34 -0.87 -0.55 8.42 7.35 2f33A4 LYS 133 HA 0.02 0.06 0.39 -0.75 4.32 4.04 2f33A4 LYS 133 HB2 0.04 0.42 0.14 -0.04 1.87 2.42 2f33A4 LYS 133 HB3 0.04 -0.06 0.00 -0.04 1.79 1.73 2f33A4 LYS 133 HG2 0.04 -0.05 0.05 -0.04 1.46 1.46 2f33A4 LYS 133 HG3 0.03 -0.05 0.06 -0.04 1.46 1.45 2f33A4 LYS 133 HD2 0.03 0.17 0.20 -0.04 1.69 2.05 2f33A4 LYS 133 HD3 0.04 -0.09 0.04 -0.04 1.68 1.62 2f33A4 LYS 133 HE2 0.01 -0.33 -0.32 -0.04 2.99 2.31 2f33A4 LYS 133 HE3 0.01 0.04 0.03 -0.04 2.99 3.03 2f33A4 ALA 134 H 0.04 0.63 -0.41 -0.55 8.40 8.11 2f33A4 ALA 134 HA 0.03 0.08 0.29 -0.75 4.34 3.99 2f33A4 ALA 134 HB3 0.04 0.00 0.03 -0.04 1.41 1.44 2f33A4 ASN 135 H 0.02 0.17 -1.29 -0.55 8.53 6.89 2f33A4 ASN 135 HA 0.01 0.05 0.24 -0.75 4.76 4.31 2f33A4 ASN 135 HB2 0.01 0.18 -0.32 -0.04 2.88 2.71 2f33A4 ASN 135 HB3 0.00 -0.07 0.32 -0.04 2.79 3.00 2f33A4 ASN 135 HD21 0.00 -0.03 0.07 -0.04 7.03 7.03 2f33A4 ASN 135 HD22 0.01 -0.03 0.02 -0.04 7.74 7.70 2f33A4 LYS 136 H 0.02 0.29 -0.18 -0.55 8.42 7.99 2f33A4 LYS 136 HA 0.01 0.17 0.56 -0.75 4.32 4.31 2f33A4 LYS 136 HB2 0.01 -0.07 0.05 -0.04 1.87 1.82 2f33A4 LYS 136 HB3 0.00 0.22 -0.10 -0.04 1.79 1.87 2f33A4 LYS 136 HG2 0.01 0.26 -0.37 -0.04 1.46 1.33 2f33A4 LYS 136 HG3 0.03 0.06 -0.06 -0.04 1.46 1.44 2f33A4 LYS 136 HD2 0.04 0.01 0.05 -0.04 1.69 1.76 2f33A4 LYS 136 HD3 0.03 -0.02 0.05 -0.04 1.68 1.69 2f33A4 LYS 136 HE2 -0.01 -0.12 -0.02 -0.04 2.99 2.81 2f33A4 LYS 136 HE3 -0.02 0.09 -0.05 -0.04 2.99 2.97 2f33A4 THR 137 H 0.02 -0.34 0.15 -0.55 8.28 7.56 2f33A4 THR 137 HA 0.02 0.08 0.32 -0.75 4.39 4.05 2f33A4 THR 137 HB 0.02 0.00 0.10 -0.04 4.32 4.39 2f33A4 THR 137 HG23 0.01 -0.01 0.17 -0.04 1.22 1.36 2f33A4 VAL 138 H 0.04 -0.34 0.09 -0.55 8.24 7.47 2f33A4 VAL 138 HA 0.08 -0.07 0.39 -0.75 4.13 3.77 2f33A4 VAL 138 HB 0.07 0.01 -0.25 -0.04 2.12 1.91 2f33A4 VAL 138 HG13 0.04 0.18 -0.14 -0.04 0.97 1.01 2f33A4 VAL 138 HG23 0.15 0.00 -0.06 -0.04 0.95 1.01 2f33A4 ASP 139 H 0.13 0.05 0.14 -0.55 8.40 8.17 2f33A4 ASP 139 HA 0.06 0.33 0.78 -0.75 4.63 5.05 2f33A4 ASP 139 HB2 0.16 -0.04 0.12 -0.04 2.71 2.92 2f33A4 ASP 139 HB3 0.10 -0.07 0.11 -0.04 2.70 2.79 2f33A4 ASP 140 H 0.05 0.28 0.17 -0.55 8.40 8.35 2f33A4 ASP 140 HA 0.03 0.10 0.35 -0.75 4.63 4.36 2f33A4 ASP 140 HB2 0.01 0.00 0.10 -0.04 2.71 2.78 2f33A4 ASP 140 HB3 0.01 0.03 0.07 -0.04 2.70 2.77 2f33A4 THR 141 H 0.03 0.12 -0.26 -0.55 8.28 7.62 2f33A4 THR 141 HA -0.12 0.08 0.39 -0.75 4.39 3.99 2f33A4 THR 141 HB -0.11 -0.04 0.03 -0.04 4.32 4.16 2f33A4 THR 141 HG23 -0.79 0.02 0.01 -0.04 1.22 0.42 2f33A4 LYS 142 H 0.16 0.19 -0.17 -0.55 8.42 8.05 2f33A4 LYS 142 HA 0.13 0.11 0.61 -0.75 4.32 4.42 2f33A4 LYS 142 HB2 0.27 0.10 -0.07 -0.04 1.87 2.13 2f33A4 LYS 142 HB3 0.49 -0.08 0.19 -0.04 1.79 2.35 2f33A4 LYS 142 HG2 0.37 -0.07 0.17 -0.04 1.46 1.89 2f33A4 LYS 142 HG3 0.20 -0.02 0.15 -0.04 1.46 1.76 2f33A4 LYS 142 HD2 0.12 0.05 0.07 -0.04 1.69 1.88 2f33A4 LYS 142 HD3 0.21 -0.01 0.03 -0.04 1.68 1.88 2f33A4 LYS 142 HE2 -0.12 0.07 -0.01 -0.04 2.99 2.89 2f33A4 LYS 142 HE3 0.37 -0.06 0.06 -0.04 2.99 3.32 2f33A4 LEU 143 H 0.14 0.53 -0.01 -0.55 8.37 8.48 2f33A4 LEU 143 HA 0.23 0.12 0.47 -0.75 4.35 4.41 2f33A4 LEU 143 HB2 0.04 0.01 -0.11 -0.04 1.64 1.55 2f33A4 LEU 143 HB3 0.10 0.00 -0.13 -0.04 1.64 1.58 2f33A4 LEU 143 HG 0.07 -0.04 -0.22 -0.04 1.64 1.40 2f33A4 LEU 143 HD13 0.02 -0.02 -0.32 -0.04 0.93 0.57 2f33A4 LEU 143 HD23 0.04 0.01 -0.40 -0.04 0.89 0.50 2f33A4 ALA 144 H 0.06 0.92 0.06 -0.55 8.40 8.90 2f33A4 ALA 144 HA 0.02 0.12 0.61 -0.75 4.34 4.33 2f33A4 ALA 144 HB3 0.01 0.03 0.12 -0.04 1.41 1.53 2f33A4 GLU 145 H 0.04 0.38 -0.01 -0.55 8.60 8.46 2f33A4 GLU 145 HA 0.05 0.01 0.40 -0.75 4.29 4.00 2f33A4 GLU 145 HB2 0.09 0.18 0.05 -0.04 2.09 2.38 2f33A4 GLU 145 HB3 0.06 -0.37 0.25 -0.04 1.99 1.89 2f33A4 GLU 145 HG2 -0.05 0.53 0.27 -0.04 2.34 3.06 2f33A4 GLU 145 HG3 -0.08 0.02 0.18 -0.04 2.34 2.41 2f33A4 TYR 146 H 0.22 0.14 -0.91 -0.55 8.29 7.19 2f33A4 TYR 146 HA -0.01 0.03 0.42 -0.75 4.56 4.25 2f33A4 TYR 146 HB2 0.11 0.41 0.17 -0.04 3.06 3.71 2f33A4 TYR 146 HB3 0.02 0.09 0.08 -0.04 2.98 3.13 2f33A4 TYR 146 HD2 -0.10 -0.05 -0.02 -0.04 7.15 6.94 2f33A4 TYR 146 HE2 -0.21 0.10 -0.21 -0.04 6.85 6.49 2f33A4 THR 147 H 0.06 0.36 -0.12 -0.55 8.28 8.04 2f33A4 THR 147 HA -0.18 0.04 0.45 -0.75 4.39 3.95 2f33A4 THR 147 HB -0.05 0.25 0.24 -0.04 4.32 4.71 2f33A4 THR 147 HG23 -0.01 0.05 0.14 -0.04 1.22 1.36 2f33A4 ASP 148 H 0.01 0.83 0.06 -0.55 8.40 8.75 2f33A4 ASP 148 HA -0.01 0.08 0.44 -0.75 4.63 4.39 2f33A4 ASP 148 HB2 0.02 0.06 0.08 -0.04 2.71 2.83 2f33A4 ASP 148 HB3 0.02 -0.01 -0.04 -0.04 2.70 2.63 2f33A4 LEU 149 H 0.04 0.44 -0.21 -0.55 8.37 8.10 2f33A4 LEU 149 HA -0.03 -0.00 0.40 -0.75 4.35 3.96 2f33A4 LEU 149 HB2 -0.04 -0.01 -0.14 -0.04 1.64 1.41 2f33A4 LEU 149 HB3 0.07 0.16 0.14 -0.04 1.64 1.97 2f33A4 LEU 149 HG 0.12 -0.07 -0.14 -0.04 1.64 1.52 2f33A4 LEU 149 HD13 0.11 -0.01 0.02 -0.04 0.93 1.00 2f33A4 LEU 149 HD23 -0.16 -0.00 -0.28 -0.04 0.89 0.40 2f33A4 MET 150 H -0.01 0.21 -0.84 -0.55 8.47 7.28 2f33A4 MET 150 HA -0.04 0.03 0.40 -0.75 4.52 4.16 2f33A4 MET 150 HB2 -0.15 0.17 0.23 -0.04 2.15 2.36 2f33A4 MET 150 HB3 -0.13 -0.10 -0.06 -0.04 2.03 1.70 2f33A4 MET 150 HG2 -0.06 -0.13 -0.03 -0.04 2.63 2.37 2f33A4 MET 150 HG3 0.03 0.03 0.03 -0.04 2.56 2.60 2f33A4 MET 150 HE3 -0.19 -0.02 -0.05 -0.04 2.10 1.80 2f33A4 LEU 151 H -0.04 0.52 -0.06 -0.55 8.37 8.24 2f33A4 LEU 151 HA 0.01 0.23 0.46 -0.75 4.35 4.30 2f33A4 LEU 151 HB2 -0.03 0.04 0.13 -0.04 1.64 1.74 2f33A4 LEU 151 HB3 -0.02 -0.30 -0.06 -0.04 1.64 1.22 2f33A4 LEU 151 HG -0.05 0.56 -0.31 -0.04 1.64 1.80 2f33A4 LEU 151 HD13 -0.09 0.05 -0.45 -0.04 0.93 0.40 2f33A4 LEU 151 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.68 2f33A4 LYS 152 H -0.01 0.98 0.03 -0.55 8.42 8.87 2f33A4 LYS 152 HA 0.02 0.01 0.62 -0.75 4.32 4.22 2f33A4 LYS 152 HB2 0.00 -0.04 0.06 -0.04 1.87 1.85 2f33A4 LYS 152 HB3 0.04 0.02 -0.01 -0.04 1.79 1.79 2f33A4 LYS 152 HG2 0.01 0.09 0.01 -0.04 1.46 1.53 2f33A4 LYS 152 HG3 0.02 -0.03 -0.06 -0.04 1.46 1.35 2f33A4 LYS 152 HD2 0.01 0.02 -0.08 -0.04 1.69 1.60 2f33A4 LYS 152 HD3 0.02 -0.02 -0.07 -0.04 1.68 1.57 2f33A4 LYS 152 HE2 -0.00 -0.09 -0.36 -0.04 2.99 2.50 2f33A4 LYS 152 HE3 -0.01 0.05 -0.05 -0.04 2.99 2.95 2f33A4 LEU 153 H -0.08 0.35 -0.03 -0.55 8.37 8.06 2f33A4 LEU 153 HA -0.14 0.07 0.35 -0.75 4.35 3.87 2f33A4 LEU 153 HB2 -0.28 0.48 0.21 -0.04 1.64 2.01 2f33A4 LEU 153 HB3 -0.42 -0.01 0.10 -0.04 1.64 1.27 2f33A4 LEU 153 HG -1.78 0.02 0.06 -0.04 1.64 -0.11 2f33A4 LEU 153 HD13 -0.28 0.00 0.09 -0.04 0.93 0.70 2f33A4 LEU 153 HD23 -1.26 -0.01 0.01 -0.04 0.89 -0.41 2f33A4 PHE 154 H 0.09 -0.10 -1.33 -0.55 8.34 6.45 2f33A4 PHE 154 HA -0.04 0.23 0.80 -0.75 4.62 4.86 2f33A4 PHE 154 HB2 -0.05 0.07 -0.01 -0.04 3.15 3.12 2f33A4 PHE 154 HB3 -0.02 0.05 0.02 -0.04 3.06 3.07 2f33A4 PHE 154 HD2 -0.01 0.15 0.06 -0.04 7.28 7.43 2f33A4 PHE 154 HE2 -0.06 -0.02 -0.54 -0.04 7.38 6.72 2f33A4 PHE 154 HZ -0.06 -0.01 0.05 -0.04 7.32 7.26 2f33A4 ASP 155 H 0.09 0.18 -0.17 -0.55 8.40 7.96 2f33A4 ASP 155 HA -0.01 -0.20 0.56 -0.75 4.63 4.23 2f33A4 ASP 155 HB2 0.01 -0.46 0.30 -0.04 2.71 2.52 2f33A4 ASP 155 HB3 0.03 0.16 0.41 -0.04 2.70 3.25 2f33A4 SER 156 H -0.08 -0.03 0.30 -0.55 8.46 8.11 2f33A4 SER 156 HA 0.04 0.26 0.54 -0.75 4.49 4.58 2f33A4 SER 156 HB2 -0.20 0.06 0.10 -0.04 3.95 3.87 2f33A4 SER 156 HB3 -0.12 -0.13 0.04 -0.04 3.93 3.67 2f33A4 ASN 157 H -0.03 -0.14 -0.03 -0.55 8.53 7.78 2f33A4 ASN 157 HA -0.00 0.30 0.77 -0.75 4.76 5.07 2f33A4 ASN 157 HB2 -0.03 -0.12 -0.06 -0.04 2.88 2.63 2f33A4 ASN 157 HB3 -0.01 0.06 0.02 -0.04 2.79 2.82 2f33A4 ASN 157 HD21 -0.00 0.01 0.04 -0.04 7.03 7.03 2f33A4 ASN 157 HD22 -0.00 -0.00 -0.00 -0.04 7.74 7.69 2f33A4 ASN 158 H 0.00 -0.08 -0.28 -0.55 8.53 7.63 2f33A4 ASN 158 HA 0.01 -0.03 0.38 -0.75 4.76 4.37 2f33A4 ASN 158 HB2 0.02 0.05 -0.19 -0.04 2.88 2.72 2f33A4 ASN 158 HB3 0.01 0.24 0.24 -0.04 2.79 3.24 2f33A4 ASN 158 HD21 0.01 0.04 -0.08 -0.04 7.03 6.95 2f33A4 ASN 158 HD22 0.01 -0.03 -0.09 -0.04 7.74 7.59 2f33A4 ASP 159 H -0.00 -0.16 0.17 -0.55 8.40 7.85 2f33A4 ASP 159 HA -0.00 0.19 0.53 -0.75 4.63 4.59 2f33A4 ASP 159 HB2 -0.01 -0.13 -0.29 -0.04 2.71 2.24 2f33A4 ASP 159 HB3 -0.01 -0.04 -0.13 -0.04 2.70 2.48 2f33A4 GLY 160 H -0.01 -0.12 0.23 -0.55 8.43 7.97 2f33A4 GLY 160 HA2 -0.01 0.06 0.25 -0.51 4.01 3.80 2f33A4 GLY 160 HA3 -0.01 0.29 1.14 -0.51 4.01 4.91 2f33A4 LYS 161 H -0.04 -0.02 0.19 -0.55 8.42 7.99 2f33A4 LYS 161 HA -0.02 0.28 0.80 -0.75 4.32 4.62 2f33A4 LYS 161 HB2 0.07 0.19 0.08 -0.04 1.87 2.17 2f33A4 LYS 161 HB3 0.01 -0.08 -0.05 -0.04 1.79 1.62 2f33A4 LYS 161 HG2 -0.09 0.02 -0.07 -0.04 1.46 1.28 2f33A4 LYS 161 HG3 -0.12 -0.16 -0.02 -0.04 1.46 1.13 2f33A4 LYS 161 HD2 0.05 0.07 -0.28 -0.04 1.69 1.50 2f33A4 LYS 161 HD3 -0.24 0.02 -0.21 -0.04 1.68 1.21 2f33A4 LYS 161 HE2 -0.31 0.00 -0.54 -0.04 2.99 2.10 2f33A4 LYS 161 HE3 -0.42 -0.13 -0.35 -0.04 2.99 2.04 2f33A4 LEU 162 H 0.04 0.88 0.28 -0.55 8.37 9.02 2f33A4 LEU 162 HA -0.05 0.23 1.11 -0.75 4.35 4.89 2f33A4 LEU 162 HB2 -0.08 -0.01 -0.11 -0.04 1.64 1.40 2f33A4 LEU 162 HB3 0.19 -0.10 0.07 -0.04 1.64 1.77 2f33A4 LEU 162 HG -0.08 -0.05 -0.20 -0.04 1.64 1.26 2f33A4 LEU 162 HD13 0.44 -0.05 -0.02 -0.04 0.93 1.26 2f33A4 LEU 162 HD23 0.19 0.03 0.10 -0.04 0.89 1.16 2f33A4 GLU 163 H -0.52 0.20 0.15 -0.55 8.60 7.89 2f33A4 GLU 163 HA 0.49 0.34 0.99 -0.75 4.29 5.36 2f33A4 GLU 163 HB2 -0.41 0.02 0.05 -0.04 2.09 1.71 2f33A4 GLU 163 HB3 -1.82 0.07 0.12 -0.04 1.99 0.33 2f33A4 GLU 163 HG2 0.22 -0.24 0.24 -0.04 2.34 2.52 2f33A4 GLU 163 HG3 0.07 0.12 0.21 -0.04 2.34 2.70 2f33A4 LEU 164 H -0.01 0.20 0.22 -0.55 8.37 8.24 2f33A4 LEU 164 HA -0.61 0.11 0.61 -0.75 4.35 3.70 2f33A4 LEU 164 HB2 -0.31 0.05 0.07 -0.04 1.64 1.42 2f33A4 LEU 164 HB3 -0.27 0.06 -0.16 -0.04 1.64 1.23 2f33A4 LEU 164 HG -0.75 -0.04 -0.02 -0.04 1.64 0.79 2f33A4 LEU 164 HD13 -1.81 0.00 -0.09 -0.04 0.93 -1.01 2f33A4 LEU 164 HD23 -0.41 0.01 -0.14 -0.04 0.89 0.31 2f33A4 THR 165 H 0.25 0.16 0.04 -0.55 8.28 8.18 2f33A4 THR 165 HA -0.20 0.11 0.29 -0.75 4.39 3.83 2f33A4 THR 165 HB -0.29 0.12 0.11 -0.04 4.32 4.22 2f33A4 THR 165 HG23 0.10 0.02 0.06 -0.04 1.22 1.36 2f33A4 GLU 166 H -0.25 0.06 -0.73 -0.55 8.60 7.14 2f33A4 GLU 166 HA -0.35 0.27 0.64 -0.75 4.29 4.10 2f33A4 GLU 166 HB2 0.33 -0.00 0.05 -0.04 2.09 2.43 2f33A4 GLU 166 HB3 0.14 -0.07 0.10 -0.04 1.99 2.12 2f33A4 GLU 166 HG2 -0.15 0.06 -0.21 -0.04 2.34 2.00 2f33A4 GLU 166 HG3 0.03 0.42 0.11 -0.04 2.34 2.87 2f33A4 MET 167 H 0.07 0.22 0.09 -0.55 8.47 8.30 2f33A4 MET 167 HA 0.00 0.07 0.46 -0.75 4.52 4.30 2f33A4 MET 167 HB2 0.22 -0.03 0.08 -0.04 2.15 2.39 2f33A4 MET 167 HB3 0.23 0.03 0.13 -0.04 2.03 2.38 2f33A4 MET 167 HG2 -0.07 0.06 0.24 -0.04 2.63 2.83 2f33A4 MET 167 HG3 0.16 0.02 -0.21 -0.04 2.56 2.49 2f33A4 MET 167 HE3 0.88 -0.00 -0.04 -0.04 2.10 2.89 2f33A4 ALA 168 H -0.07 0.56 -0.36 -0.55 8.40 7.99 2f33A4 ALA 168 HA 0.06 -0.03 0.36 -0.75 4.34 3.97 2f33A4 ALA 168 HB3 -0.07 0.05 -0.18 -0.04 1.41 1.17 2f33A4 ARG 169 H -0.10 0.23 -0.64 -0.55 8.46 7.39 2f33A4 ARG 169 HA 0.07 0.16 0.68 -0.75 4.34 4.50 2f33A4 ARG 169 HB2 -0.35 0.11 0.24 -0.04 1.90 1.86 2f33A4 ARG 169 HB3 -0.16 0.27 0.27 -0.04 1.80 2.14 2f33A4 ARG 169 HG2 -0.17 0.40 0.24 -0.04 1.67 2.10 2f33A4 ARG 169 HG3 -0.19 -0.17 -0.03 -0.04 1.67 1.23 2f33A4 ARG 169 HD2 -0.26 0.14 0.13 -0.04 3.22 3.19 2f33A4 ARG 169 HD3 -0.24 -0.15 0.09 -0.04 3.22 2.88 2f33A4 LEU 170 H -0.07 0.26 -0.24 -0.55 8.37 7.77 2f33A4 LEU 170 HA -0.04 -0.33 0.90 -0.75 4.35 4.13 2f33A4 LEU 170 HB2 -0.12 0.10 0.09 -0.04 1.64 1.67 2f33A4 LEU 170 HB3 -0.11 0.08 0.10 -0.04 1.64 1.66 2f33A4 LEU 170 HG 0.06 -0.28 0.07 -0.04 1.64 1.45 2f33A4 LEU 170 HD13 -0.85 0.04 -0.02 -0.04 0.93 0.06 2f33A4 LEU 170 HD23 -0.08 0.00 0.01 -0.04 0.89 0.78 2f33A4 LEU 171 H -0.04 0.54 -0.02 -0.55 8.37 8.30 2f33A4 LEU 171 HA -0.28 -0.07 0.29 -0.75 4.35 3.54 2f33A4 LEU 171 HB2 -0.16 -0.03 0.06 -0.04 1.64 1.47 2f33A4 LEU 171 HB3 -0.12 0.16 0.06 -0.04 1.64 1.70 2f33A4 LEU 171 HG 0.13 -0.11 0.01 -0.04 1.64 1.63 2f33A4 LEU 171 HD13 0.09 -0.06 -0.56 -0.04 0.93 0.37 2f33A4 LEU 171 HD23 0.24 -0.03 -0.13 -0.04 0.89 0.93 2f33A4 PRO 172 HA 0.06 0.12 0.48 -0.51 4.44 4.59 2f33A4 PRO 172 HB2 0.06 -0.16 0.25 -0.04 2.28 2.39 2f33A4 PRO 172 HB3 0.04 0.13 0.11 -0.04 2.02 2.26 2f33A4 PRO 172 HG2 0.09 -0.07 -0.05 -0.04 2.03 1.97 2f33A4 PRO 172 HG3 -0.01 0.04 -0.01 -0.04 2.03 2.00 2f33A4 PRO 172 HD2 0.16 0.04 0.09 -0.04 3.68 3.93 2f33A4 PRO 172 HD3 -0.28 0.08 -0.22 -0.04 3.65 3.18 2f33A4 VAL 173 H 0.12 0.49 0.22 -0.55 8.24 8.53 2f33A4 VAL 173 HA 0.05 0.08 0.31 -0.75 4.13 3.82 2f33A4 VAL 173 HB -0.00 0.02 0.01 -0.04 2.12 2.10 2f33A4 VAL 173 HG13 0.16 0.05 -0.01 -0.04 0.97 1.12 2f33A4 VAL 173 HG23 0.18 -0.01 0.03 -0.04 0.95 1.10 2f33A4 GLN 174 H 0.07 -0.03 -0.61 -0.55 8.47 7.36 2f33A4 GLN 174 HA 0.04 0.10 0.33 -0.75 4.36 4.08 2f33A4 GLN 174 HB2 0.06 -0.07 0.05 -0.04 2.15 2.15 2f33A4 GLN 174 HB3 0.04 0.02 -0.06 -0.04 2.02 1.98 2f33A4 GLN 174 HG2 0.04 0.04 0.06 -0.04 2.40 2.49 2f33A4 GLN 174 HG3 0.05 0.00 0.02 -0.04 2.39 2.42 2f33A4 GLN 174 HE21 0.02 0.02 0.01 -0.04 6.97 6.98 2f33A4 GLN 174 HE22 0.01 0.00 -0.01 -0.04 7.69 7.65 2f33A4 GLU 175 H 0.04 0.23 -0.10 -0.55 8.60 8.22 2f33A4 GLU 175 HA 0.03 0.27 0.90 -0.75 4.29 4.74 2f33A4 GLU 175 HB2 0.03 0.04 -0.05 -0.04 2.09 2.07 2f33A4 GLU 175 HB3 0.03 -0.09 0.07 -0.04 1.99 1.96 2f33A4 GLU 175 HG2 0.03 -0.10 0.10 -0.04 2.34 2.34 2f33A4 GLU 175 HG3 0.03 0.03 0.18 -0.04 2.34 2.55 2f33A4 ASN 176 H 0.01 0.28 -0.20 -0.55 8.53 8.08 2f33A4 ASN 176 HA -0.16 0.13 0.94 -0.75 4.76 4.92 2f33A4 ASN 176 HB2 -0.00 0.23 -0.06 -0.04 2.88 3.00 2f33A4 ASN 176 HB3 -0.13 -0.08 -0.10 -0.04 2.79 2.44 2f33A4 ASN 176 HD21 -0.07 0.09 -0.33 -0.04 7.03 6.68 2f33A4 ASN 176 HD22 -0.13 -0.01 -0.44 -0.04 7.74 7.13 2f33A4 PHE 177 H -0.24 0.21 0.12 -0.55 8.34 7.87 2f33A4 PHE 177 HA -0.00 0.14 0.36 -0.75 4.62 4.36 2f33A4 PHE 177 HB2 0.14 0.08 0.07 -0.04 3.15 3.40 2f33A4 PHE 177 HB3 -0.39 0.04 0.11 -0.04 3.06 2.78 2f33A4 PHE 177 HD2 0.14 0.08 -0.01 -0.04 7.28 7.46 2f33A4 PHE 177 HE2 -0.03 0.01 0.02 -0.04 7.38 7.34 2f33A4 PHE 177 HZ -0.04 -0.13 0.09 -0.04 7.32 7.20 2f33A4 LEU 178 H -0.38 -0.04 -0.71 -0.55 8.37 6.70 2f33A4 LEU 178 HA 0.12 0.09 0.28 -0.75 4.35 4.08 2f33A4 LEU 178 HB2 -0.03 0.13 -0.13 -0.04 1.64 1.56 2f33A4 LEU 178 HB3 -0.06 0.01 -0.01 -0.04 1.64 1.53 2f33A4 LEU 178 HG -0.31 -0.05 -0.10 -0.04 1.64 1.14 2f33A4 LEU 178 HD13 -0.18 0.01 -0.09 -0.04 0.93 0.62 2f33A4 LEU 178 HD23 -0.72 -0.02 -0.06 -0.04 0.89 0.05 2f33A4 LEU 179 H 0.03 0.38 -0.48 -0.55 8.37 7.75 2f33A4 LEU 179 HA -0.02 0.17 0.50 -0.75 4.35 4.25 2f33A4 LEU 179 HB2 -0.25 -0.01 0.03 -0.04 1.64 1.36 2f33A4 LEU 179 HB3 -0.02 -0.06 0.14 -0.04 1.64 1.66 2f33A4 LEU 179 HG -0.03 0.08 0.00 -0.04 1.64 1.65 2f33A4 LEU 179 HD13 0.04 -0.00 0.05 -0.04 0.93 0.97 2f33A4 LEU 179 HD23 -0.06 -0.00 -0.28 -0.04 0.89 0.51 2f33A4 LYS 180 H 0.06 0.22 0.04 -0.55 8.42 8.19 2f33A4 LYS 180 HA 0.01 0.19 0.78 -0.75 4.32 4.54 2f33A4 LYS 180 HB2 0.01 -0.02 0.10 -0.04 1.87 1.91 2f33A4 LYS 180 HB3 0.01 0.03 0.07 -0.04 1.79 1.86 2f33A4 LYS 180 HG2 0.03 0.07 -0.10 -0.04 1.46 1.42 2f33A4 LYS 180 HG3 0.01 -0.16 0.18 -0.04 1.46 1.45 2f33A4 LYS 180 HD2 0.05 -0.01 0.07 -0.04 1.69 1.76 2f33A4 LYS 180 HD3 0.13 -0.02 0.19 -0.04 1.68 1.94 2f33A4 LYS 180 HE2 0.23 0.13 -0.02 -0.04 2.99 3.29 2f33A4 LYS 180 HE3 0.07 -0.08 -0.06 -0.04 2.99 2.88 2f33A4 PHE 181 H 0.22 0.49 -0.11 -0.55 8.34 8.39 2f33A4 PHE 181 HA 0.13 -0.01 0.31 -0.75 4.62 4.29 2f33A4 PHE 181 HB2 0.13 0.04 -0.07 -0.04 3.15 3.21 2f33A4 PHE 181 HB3 0.08 0.07 -0.08 -0.04 3.06 3.08 2f33A4 PHE 181 HD2 0.37 -0.18 -0.07 -0.04 7.28 7.36 2f33A4 PHE 181 HE2 0.28 -0.14 -0.09 -0.04 7.38 7.40 2f33A4 PHE 181 HZ 0.13 -0.12 -0.17 -0.04 7.32 7.12 2f33A4 GLN 182 H 0.16 0.23 -0.63 -0.55 8.47 7.69 2f33A4 GLN 182 HA 0.14 0.08 0.36 -0.75 4.36 4.19 2f33A4 GLN 182 HB2 0.08 0.03 0.04 -0.04 2.15 2.26 2f33A4 GLN 182 HB3 0.07 0.04 0.05 -0.04 2.02 2.14 2f33A4 GLN 182 HG2 0.09 -0.10 -0.03 -0.04 2.40 2.32 2f33A4 GLN 182 HG3 0.10 0.16 0.04 -0.04 2.39 2.64 2f33A4 GLN 182 HE21 0.04 0.01 0.02 -0.04 6.97 7.00 2f33A4 GLN 182 HE22 -0.01 -0.00 0.04 -0.04 7.69 7.67 2f33A4 GLY 183 H 0.08 0.27 -0.18 -0.55 8.43 8.05 2f33A4 GLY 183 HA2 0.05 0.05 0.39 -0.51 4.01 4.00 2f33A4 GLY 183 HA3 0.03 -0.03 0.29 -0.51 4.01 3.79 2f33A4 ILE 184 H 0.08 0.24 -0.37 -0.55 8.25 7.65 2f33A4 ILE 184 HA -0.02 -0.01 0.27 -0.75 4.18 3.66 2f33A4 ILE 184 HB 0.06 0.16 0.17 -0.04 1.89 2.25 2f33A4 ILE 184 HG12 -0.25 -0.05 -0.18 -0.04 1.49 0.96 2f33A4 ILE 184 HG13 -0.12 0.07 -0.26 -0.04 1.21 0.85 2f33A4 ILE 184 HG23 -0.20 -0.05 -0.21 -0.04 0.93 0.42 2f33A4 ILE 184 HD13 -0.91 0.02 -0.13 -0.04 0.88 -0.19 2f33A4 LYS 185 H 0.28 0.82 -0.16 -0.55 8.42 8.81 2f33A4 LYS 185 HA 0.21 -0.13 0.03 -0.75 4.32 3.68 2f33A4 LYS 185 HB2 0.10 -0.27 0.07 -0.04 1.87 1.74 2f33A4 LYS 185 HB3 0.12 0.31 0.16 -0.04 1.79 2.34 2f33A4 LYS 185 HG2 0.08 0.15 -0.53 -0.04 1.46 1.13 2f33A4 LYS 185 HG3 0.08 0.04 -0.11 -0.04 1.46 1.42 2f33A4 LYS 185 HD2 0.07 -0.04 0.06 -0.04 1.69 1.73 2f33A4 LYS 185 HD3 0.06 -0.02 0.02 -0.04 1.68 1.70 2f33A4 LYS 185 HE2 0.04 -0.07 0.02 -0.04 2.99 2.95 2f33A4 LYS 185 HE3 0.05 0.05 0.04 -0.04 2.99 3.08 2f33A4 MET 186 H 0.26 0.15 -0.19 -0.55 8.47 8.14 2f33A4 MET 186 HA 0.12 0.22 0.48 -0.75 4.52 4.59 2f33A4 MET 186 HB2 0.23 0.20 0.17 -0.04 2.15 2.71 2f33A4 MET 186 HB3 0.17 -0.12 0.05 -0.04 2.03 2.09 2f33A4 MET 186 HG2 0.12 0.11 -0.02 -0.04 2.63 2.79 2f33A4 MET 186 HG3 0.20 -0.01 -0.06 -0.04 2.56 2.65 2f33A4 MET 186 HE3 0.24 -0.01 -0.13 -0.04 2.10 2.16 2f33A4 CYS 187 H 0.16 0.24 0.03 -0.55 8.50 8.38 2f33A4 CYS 187 HA 0.11 0.03 0.40 -0.75 4.58 4.36 2f33A4 CYS 187 HB2 0.09 0.68 0.43 -0.04 2.97 4.12 2f33A4 CYS 187 HB3 0.10 -0.19 0.04 -0.04 2.97 2.88 2f33A4 GLY 188 H 0.12 0.22 0.19 -0.55 8.43 8.42 2f33A4 GLY 188 HA2 0.35 0.08 0.39 -0.51 4.01 4.32 2f33A4 GLY 188 HA3 0.21 0.11 0.37 -0.51 4.01 4.20 2f33A4 LYS 189 H 0.14 0.08 -0.50 -0.55 8.42 7.58 2f33A4 LYS 189 HA 0.08 0.14 0.53 -0.75 4.32 4.32 2f33A4 LYS 189 HB2 0.07 -0.02 0.08 -0.04 1.87 1.97 2f33A4 LYS 189 HB3 0.05 0.10 -0.04 -0.04 1.79 1.86 2f33A4 LYS 189 HG2 0.03 0.04 0.03 -0.04 1.46 1.52 2f33A4 LYS 189 HG3 0.06 -0.03 -0.00 -0.04 1.46 1.45 2f33A4 LYS 189 HD2 0.04 0.01 0.01 -0.04 1.69 1.71 2f33A4 LYS 189 HD3 0.03 0.05 -0.00 -0.04 1.68 1.71 2f33A4 LYS 189 HE2 0.05 -0.06 -0.01 -0.04 2.99 2.93 2f33A4 LYS 189 HE3 0.03 0.06 -0.00 -0.04 2.99 3.04 2f33A4 GLU 190 H 0.12 0.15 -0.08 -0.55 8.60 8.25 2f33A4 GLU 190 HA 0.05 0.08 0.43 -0.75 4.29 4.09 2f33A4 GLU 190 HB2 0.12 0.04 0.01 -0.04 2.09 2.22 2f33A4 GLU 190 HB3 0.08 0.02 0.01 -0.04 1.99 2.06 2f33A4 GLU 190 HG2 0.06 -0.12 -0.01 -0.04 2.34 2.23 2f33A4 GLU 190 HG3 0.07 0.15 -0.06 -0.04 2.34 2.46 2f33A4 PHE 191 H 0.27 0.56 -0.38 -0.55 8.34 8.23 2f33A4 PHE 191 HA 0.15 0.07 0.36 -0.75 4.62 4.44 2f33A4 PHE 191 HB2 0.12 -0.01 -0.10 -0.04 3.15 3.11 2f33A4 PHE 191 HB3 0.12 -0.09 0.09 -0.04 3.06 3.14 2f33A4 PHE 191 HD2 0.13 0.07 0.04 -0.04 7.28 7.48 2f33A4 PHE 191 HE2 0.23 0.03 -0.19 -0.04 7.38 7.41 2f33A4 PHE 191 HZ 0.40 0.05 -0.08 -0.04 7.32 7.64 2f33A4 ASN 192 H -0.15 0.57 -0.09 -0.55 8.53 8.31 2f33A4 ASN 192 HA -0.64 0.00 0.35 -0.75 4.76 3.72 2f33A4 ASN 192 HB2 -0.09 0.11 0.23 -0.04 2.88 3.08 2f33A4 ASN 192 HB3 -0.16 0.01 0.01 -0.04 2.79 2.60 2f33A4 ASN 192 HD21 -0.33 -0.01 0.03 -0.04 7.03 6.68 2f33A4 ASN 192 HD22 0.05 -0.00 0.01 -0.04 7.74 7.76 2f33A4 LYS 193 H -0.04 0.65 -0.17 -0.55 8.42 8.30 2f33A4 LYS 193 HA -0.04 0.06 0.40 -0.75 4.32 3.98 2f33A4 LYS 193 HB2 -0.01 0.15 0.15 -0.04 1.87 2.12 2f33A4 LYS 193 HB3 -0.04 0.04 -0.01 -0.04 1.79 1.74 2f33A4 LYS 193 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.40 2f33A4 LYS 193 HG3 -0.02 0.00 0.02 -0.04 1.46 1.42 2f33A4 LYS 193 HD2 -0.01 0.00 -0.02 -0.04 1.69 1.62 2f33A4 LYS 193 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.59 2f33A4 LYS 193 HE2 -0.03 0.00 -0.02 -0.04 2.99 2.90 2f33A4 LYS 193 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.92 2f33A4 ALA 194 H -0.00 0.60 -0.37 -0.55 8.40 8.08 2f33A4 ALA 194 HA -0.37 -0.03 0.41 -0.75 4.34 3.59 2f33A4 ALA 194 HB3 0.22 0.03 0.12 -0.04 1.41 1.74 2f33A4 PHE 195 H 0.10 0.64 -0.25 -0.55 8.34 8.28 2f33A4 PHE 195 HA 0.11 -0.11 0.23 -0.75 4.62 4.09 2f33A4 PHE 195 HB2 -0.26 0.07 0.21 -0.04 3.15 3.13 2f33A4 PHE 195 HB3 -0.09 0.08 -0.02 -0.04 3.06 2.99 2f33A4 PHE 195 HD2 -0.23 0.03 -0.08 -0.04 7.28 6.96 2f33A4 PHE 195 HE2 0.23 0.15 -0.06 -0.04 7.38 7.66 2f33A4 PHE 195 HZ 0.20 -0.12 0.01 -0.04 7.32 7.37 2f33A4 GLU 196 H 0.06 0.23 -0.78 -0.55 8.60 7.57 2f33A4 GLU 196 HA 0.05 -0.00 0.54 -0.75 4.29 4.13 2f33A4 GLU 196 HB2 -0.02 0.07 0.26 -0.04 2.09 2.36 2f33A4 GLU 196 HB3 -0.02 -0.02 -0.01 -0.04 1.99 1.89 2f33A4 GLU 196 HG2 -0.02 -0.01 0.02 -0.04 2.34 2.29 2f33A4 GLU 196 HG3 -0.02 -0.04 -0.04 -0.04 2.34 2.20 2f33A4 LEU 197 H -0.10 0.82 0.23 -0.55 8.37 8.77 2f33A4 LEU 197 HA -0.08 0.07 0.38 -0.75 4.35 3.96 2f33A4 LEU 197 HB2 -0.22 0.03 0.06 -0.04 1.64 1.47 2f33A4 LEU 197 HB3 -0.53 -0.05 0.07 -0.04 1.64 1.09 2f33A4 LEU 197 HG -0.16 -0.02 -0.03 -0.04 1.64 1.39 2f33A4 LEU 197 HD13 -0.11 -0.00 -0.11 -0.04 0.93 0.67 2f33A4 LEU 197 HD23 -0.07 0.00 -0.01 -0.04 0.89 0.77 2f33A4 TYR 198 H -0.38 0.63 0.07 -0.55 8.29 8.06 2f33A4 TYR 198 HA 0.00 0.01 0.30 -0.75 4.56 4.12 2f33A4 TYR 198 HB2 -0.01 0.10 -0.12 -0.04 3.06 2.99 2f33A4 TYR 198 HB3 -0.02 -0.16 -0.00 -0.04 2.98 2.75 2f33A4 TYR 198 HD2 -0.01 -0.03 -0.19 -0.04 7.15 6.88 2f33A4 TYR 198 HE2 0.03 0.07 -0.11 -0.04 6.85 6.79 2f33A4 ASP 199 H 0.07 0.21 -1.28 -0.55 8.40 6.85 2f33A4 ASP 199 HA 0.08 0.00 0.69 -0.75 4.63 4.65 2f33A4 ASP 199 HB2 0.10 0.37 0.31 -0.04 2.71 3.45 2f33A4 ASP 199 HB3 0.06 -0.20 0.30 -0.04 2.70 2.82 2f33A4 GLN 200 H 0.05 0.39 0.11 -0.55 8.47 8.48 2f33A4 GLN 200 HA 0.02 0.22 0.57 -0.75 4.36 4.41 2f33A4 GLN 200 HB2 0.02 -0.01 0.10 -0.04 2.15 2.22 2f33A4 GLN 200 HB3 0.03 0.09 0.09 -0.04 2.02 2.18 2f33A4 GLN 200 HG2 0.03 0.03 0.21 -0.04 2.40 2.64 2f33A4 GLN 200 HG3 0.02 -0.02 -0.05 -0.04 2.39 2.30 2f33A4 GLN 200 HE21 0.01 0.02 0.00 -0.04 6.97 6.96 2f33A4 GLN 200 HE22 0.01 -0.02 0.01 -0.04 7.69 7.65 2f33A4 ASP 201 H 0.03 0.01 -0.06 -0.55 8.40 7.83 2f33A4 ASP 201 HA 0.02 0.24 0.75 -0.75 4.63 4.88 2f33A4 ASP 201 HB2 0.03 -0.07 0.11 -0.04 2.71 2.73 2f33A4 ASP 201 HB3 0.02 0.04 0.02 -0.04 2.70 2.74 2f33A4 GLY 202 H 0.03 0.12 -0.37 -0.55 8.43 7.67 2f33A4 GLY 202 HA2 0.02 0.10 0.31 -0.51 4.01 3.93 2f33A4 GLY 202 HA3 0.01 0.15 0.45 -0.51 4.01 4.11 2f33A4 ASN 203 H 0.05 -0.06 -0.04 -0.55 8.53 7.92 2f33A4 ASN 203 HA 0.02 0.31 0.86 -0.75 4.76 5.20 2f33A4 ASN 203 HB2 0.05 -0.04 -0.07 -0.04 2.88 2.78 2f33A4 ASN 203 HB3 0.08 -0.07 -0.02 -0.04 2.79 2.74 2f33A4 ASN 203 HD21 0.01 -0.01 0.16 -0.04 7.03 7.15 2f33A4 ASN 203 HD22 0.01 0.01 0.04 -0.04 7.74 7.76 2f33A4 GLY 204 H 0.07 0.04 0.06 -0.55 8.43 8.05 2f33A4 GLY 204 HA2 0.12 0.08 0.32 -0.51 4.01 4.01 2f33A4 GLY 204 HA3 0.04 0.18 0.58 -0.51 4.01 4.30 2f33A4 TYR 205 H 0.15 -0.02 -0.23 -0.55 8.29 7.65 2f33A4 TYR 205 HA -0.11 0.18 1.01 -0.75 4.56 4.90 2f33A4 TYR 205 HB2 -0.14 0.10 -0.22 -0.04 3.06 2.77 2f33A4 TYR 205 HB3 -0.07 -0.06 -0.07 -0.04 2.98 2.73 2f33A4 TYR 205 HD2 -0.20 -0.02 -0.02 -0.04 7.15 6.87 2f33A4 TYR 205 HE2 0.03 -0.10 -0.56 -0.04 6.85 6.17 2f33A4 ILE 206 H 0.10 0.62 0.29 -0.55 8.25 8.71 2f33A4 ILE 206 HA -0.09 0.15 0.95 -0.75 4.18 4.43 2f33A4 ILE 206 HB -0.10 -0.01 0.05 -0.04 1.89 1.79 2f33A4 ILE 206 HG12 0.06 0.08 -0.21 -0.04 1.49 1.39 2f33A4 ILE 206 HG13 0.03 -0.00 -0.43 -0.04 1.21 0.77 2f33A4 ILE 206 HG23 -0.13 0.02 -0.29 -0.04 0.93 0.48 2f33A4 ILE 206 HD13 -0.03 -0.00 -0.18 -0.04 0.88 0.63 2f33A4 ASP 207 H -0.18 0.17 0.23 -0.55 8.40 8.08 2f33A4 ASP 207 HA -0.27 -0.07 1.04 -0.75 4.63 4.58 2f33A4 ASP 207 HB2 -0.12 0.16 0.27 -0.04 2.71 2.97 2f33A4 ASP 207 HB3 -0.26 0.12 0.14 -0.04 2.70 2.67 2f33A4 GLU 208 H -0.08 0.55 0.20 -0.55 8.60 8.72 2f33A4 GLU 208 HA -0.05 0.06 0.30 -0.75 4.29 3.85 2f33A4 GLU 208 HB2 -0.02 0.07 0.08 -0.04 2.09 2.17 2f33A4 GLU 208 HB3 -0.02 0.05 0.10 -0.04 1.99 2.07 2f33A4 GLU 208 HG2 -0.02 0.10 0.08 -0.04 2.34 2.46 2f33A4 GLU 208 HG3 -0.04 -0.17 0.08 -0.04 2.34 2.16 2f33A4 ASN 209 H -0.07 -0.00 -0.80 -0.55 8.53 7.12 2f33A4 ASN 209 HA -0.04 0.16 0.58 -0.75 4.76 4.70 2f33A4 ASN 209 HB2 -0.04 0.03 0.08 -0.04 2.88 2.91 2f33A4 ASN 209 HB3 -0.04 -0.00 0.10 -0.04 2.79 2.80 2f33A4 ASN 209 HD21 -0.02 0.00 -0.03 -0.04 7.03 6.95 2f33A4 ASN 209 HD22 -0.01 0.04 -0.02 -0.04 7.74 7.70 2f33A4 GLU 210 H -0.08 0.16 0.10 -0.55 8.60 8.24 2f33A4 GLU 210 HA -0.06 0.10 0.38 -0.75 4.29 3.95 2f33A4 GLU 210 HB2 -0.09 -0.04 0.21 -0.04 2.09 2.13 2f33A4 GLU 210 HB3 -0.09 0.02 0.02 -0.04 1.99 1.90 2f33A4 GLU 210 HG2 0.08 0.20 0.21 -0.04 2.34 2.79 2f33A4 GLU 210 HG3 -0.00 -0.06 0.14 -0.04 2.34 2.37 2f33A4 LEU 211 H -0.12 0.47 -0.46 -0.55 8.37 7.71 2f33A4 LEU 211 HA -0.23 0.03 0.28 -0.75 4.35 3.67 2f33A4 LEU 211 HB2 -0.08 -0.03 -0.14 -0.04 1.64 1.35 2f33A4 LEU 211 HB3 -0.07 0.28 0.07 -0.04 1.64 1.89 2f33A4 LEU 211 HG -0.03 0.00 -0.08 -0.04 1.64 1.49 2f33A4 LEU 211 HD13 -0.06 -0.04 -0.06 -0.04 0.93 0.74 2f33A4 LEU 211 HD23 0.00 -0.02 -0.19 -0.04 0.89 0.64 2f33A4 ASP 212 H -0.08 0.42 -0.28 -0.55 8.40 7.91 2f33A4 ASP 212 HA -0.06 -0.06 0.36 -0.75 4.63 4.12 2f33A4 ASP 212 HB2 -0.04 0.06 0.20 -0.04 2.71 2.89 2f33A4 ASP 212 HB3 -0.04 0.17 0.16 -0.04 2.70 2.94 2f33A4 ALA 213 H -0.11 0.39 -0.48 -0.55 8.40 7.66 2f33A4 ALA 213 HA -0.03 0.00 0.40 -0.75 4.34 3.97 2f33A4 ALA 213 HB3 -0.01 0.01 0.09 -0.04 1.41 1.45 2f33A4 LEU 214 H -0.30 0.43 -0.38 -0.55 8.37 7.58 2f33A4 LEU 214 HA -0.26 0.07 0.56 -0.75 4.35 3.97 2f33A4 LEU 214 HB2 -1.10 -0.05 0.01 -0.04 1.64 0.45 2f33A4 LEU 214 HB3 -0.36 0.17 0.24 -0.04 1.64 1.65 2f33A4 LEU 214 HG -0.04 -0.07 -0.10 -0.04 1.64 1.39 2f33A4 LEU 214 HD13 0.02 0.00 -0.22 -0.04 0.93 0.69 2f33A4 LEU 214 HD23 0.18 -0.02 -0.18 -0.04 0.89 0.82 2f33A4 LEU 215 H -0.12 0.60 0.03 -0.55 8.37 8.34 2f33A4 LEU 215 HA -0.12 0.01 0.32 -0.75 4.35 3.80 2f33A4 LEU 215 HB2 -0.18 -0.05 -0.13 -0.04 1.64 1.24 2f33A4 LEU 215 HB3 -0.16 -0.03 0.00 -0.04 1.64 1.41 2f33A4 LEU 215 HG -0.09 0.16 0.20 -0.04 1.64 1.87 2f33A4 LEU 215 HD13 -0.02 0.02 -0.05 -0.04 0.93 0.84 2f33A4 LEU 215 HD23 -0.03 -0.06 -0.56 -0.04 0.89 0.20 2f33A4 LYS 216 H -0.07 0.56 -0.32 -0.55 8.42 8.03 2f33A4 LYS 216 HA -0.08 -0.08 0.28 -0.75 4.32 3.68 2f33A4 LYS 216 HB2 -0.03 -0.03 0.02 -0.04 1.87 1.79 2f33A4 LYS 216 HB3 -0.04 0.03 0.07 -0.04 1.79 1.81 2f33A4 LYS 216 HG2 0.00 -0.09 0.05 -0.04 1.46 1.38 2f33A4 LYS 216 HG3 -0.00 0.14 -0.15 -0.04 1.46 1.41 2f33A4 LYS 216 HD2 0.07 0.07 -0.03 -0.04 1.69 1.76 2f33A4 LYS 216 HD3 0.01 0.02 -0.63 -0.04 1.68 1.05 2f33A4 LYS 216 HE2 0.00 -0.03 -0.12 -0.04 2.99 2.80 2f33A4 LYS 216 HE3 0.00 -0.04 -0.05 -0.04 2.99 2.86 2f33A4 ASP 217 H 0.00 0.34 -0.68 -0.55 8.40 7.51 2f33A4 ASP 217 HA 0.01 0.05 0.41 -0.75 4.63 4.34 2f33A4 ASP 217 HB2 0.12 0.29 0.19 -0.04 2.71 3.27 2f33A4 ASP 217 HB3 0.06 -0.04 -0.09 -0.04 2.70 2.59 2f33A4 LEU 218 H -0.03 0.25 -0.02 -0.55 8.37 8.02 2f33A4 LEU 218 HA -0.07 0.04 0.30 -0.75 4.35 3.87 2f33A4 LEU 218 HB2 -0.32 -0.02 0.12 -0.04 1.64 1.38 2f33A4 LEU 218 HB3 -0.27 -0.00 -0.04 -0.04 1.64 1.29 2f33A4 LEU 218 HG -0.01 0.14 -0.05 -0.04 1.64 1.68 2f33A4 LEU 218 HD13 0.13 -0.03 -0.11 -0.04 0.93 0.87 2f33A4 LEU 218 HD23 0.11 -0.00 -0.08 -0.04 0.89 0.87 2f33A4 CYS 219 H -0.24 0.58 -0.14 -0.55 8.50 8.15 2f33A4 CYS 219 HA -0.23 0.27 0.32 -0.75 4.58 4.20 2f33A4 CYS 219 HB2 -0.13 -0.11 -0.06 -0.04 2.97 2.63 2f33A4 CYS 219 HB3 -0.25 -0.15 -0.31 -0.04 2.97 2.21 2f33A4 GLU 220 H -0.08 0.43 -0.29 -0.55 8.60 8.11 2f33A4 GLU 220 HA -0.05 -0.06 0.36 -0.75 4.29 3.78 2f33A4 GLU 220 HB2 -0.04 0.22 0.20 -0.04 2.09 2.43 2f33A4 GLU 220 HB3 -0.03 0.05 0.00 -0.04 1.99 1.98 2f33A4 GLU 220 HG2 -0.03 -0.08 0.06 -0.04 2.34 2.25 2f33A4 GLU 220 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.29 2f33A4 LYS 221 H -0.07 0.30 -0.71 -0.55 8.42 7.38 2f33A4 LYS 221 HA -0.03 0.01 0.55 -0.75 4.32 4.09 2f33A4 LYS 221 HB2 -0.07 0.24 0.23 -0.04 1.87 2.23 2f33A4 LYS 221 HB3 -0.03 -0.05 0.01 -0.04 1.79 1.69 2f33A4 LYS 221 HG2 -0.01 -0.06 -0.03 -0.04 1.46 1.32 2f33A4 LYS 221 HG3 -0.02 0.35 -0.17 -0.04 1.46 1.59 2f33A4 LYS 221 HD2 0.02 -0.12 -0.15 -0.04 1.69 1.40 2f33A4 LYS 221 HD3 0.02 0.07 -0.04 -0.04 1.68 1.69 2f33A4 LYS 221 HE2 0.04 -0.05 -0.12 -0.04 2.99 2.81 2f33A4 LYS 221 HE3 0.06 -0.06 -0.06 -0.04 2.99 2.89 2f33A4 ASN 222 H -0.09 0.47 -0.05 -0.55 8.53 8.32 2f33A4 ASN 222 HA -0.04 0.07 0.57 -0.75 4.76 4.60 2f33A4 ASN 222 HB2 -0.05 0.18 -0.44 -0.04 2.88 2.54 2f33A4 ASN 222 HB3 -0.07 -0.20 0.09 -0.04 2.79 2.57 2f33A4 ASN 222 HD21 -0.02 0.13 -0.02 -0.04 7.03 7.08 2f33A4 ASN 222 HD22 -0.01 -0.03 0.01 -0.04 7.74 7.67 2f33A4 LYS 223 H -0.04 0.26 0.10 -0.55 8.42 8.19 2f33A4 LYS 223 HA -0.06 0.21 0.32 -0.75 4.32 4.04 2f33A4 LYS 223 HB2 -0.03 0.07 0.14 -0.04 1.87 2.01 2f33A4 LYS 223 HB3 -0.02 0.02 -0.03 -0.04 1.79 1.72 2f33A4 LYS 223 HG2 -0.02 0.02 0.05 -0.04 1.46 1.46 2f33A4 LYS 223 HG3 -0.03 -0.11 0.13 -0.04 1.46 1.41 2f33A4 LYS 223 HD2 -0.06 0.26 0.05 -0.04 1.69 1.90 2f33A4 LYS 223 HD3 -0.04 0.03 0.03 -0.04 1.68 1.66 2f33A4 LYS 223 HE2 -0.07 0.07 0.34 -0.04 2.99 3.29 2f33A4 LYS 223 HE3 -0.06 0.05 0.09 -0.04 2.99 3.03 2f33A4 GLN 224 H -0.04 0.02 -0.78 -0.55 8.47 7.13 2f33A4 GLN 224 HA -0.01 0.14 0.57 -0.75 4.36 4.30 2f33A4 GLN 224 HB2 -0.02 0.04 -0.06 -0.04 2.15 2.07 2f33A4 GLN 224 HB3 -0.01 0.04 0.02 -0.04 2.02 2.02 2f33A4 GLN 224 HG2 -0.01 0.01 -0.07 -0.04 2.40 2.29 2f33A4 GLN 224 HG3 -0.02 -0.07 -0.02 -0.04 2.39 2.24 2f33A4 GLN 224 HE21 -0.01 -0.01 0.01 -0.04 6.97 6.91 2f33A4 GLN 224 HE22 -0.01 0.02 -0.00 -0.04 7.69 7.66 2f33A4 GLU 225 H -0.05 0.24 -0.16 -0.55 8.60 8.09 2f33A4 GLU 225 HA 0.00 0.20 0.88 -0.75 4.29 4.62 2f33A4 GLU 225 HB2 -0.08 -0.06 -0.09 -0.04 2.09 1.82 2f33A4 GLU 225 HB3 -0.03 0.03 -0.14 -0.04 1.99 1.82 2f33A4 GLU 225 HG2 -0.06 -0.10 0.00 -0.04 2.34 2.14 2f33A4 GLU 225 HG3 -0.12 0.02 -0.17 -0.04 2.34 2.03 2f33A4 LEU 226 H -0.09 0.46 0.00 -0.55 8.37 8.20 2f33A4 LEU 226 HA -0.27 0.05 0.62 -0.75 4.35 3.99 2f33A4 LEU 226 HB2 -0.27 0.15 -0.25 -0.04 1.64 1.23 2f33A4 LEU 226 HB3 -0.64 -0.13 -0.24 -0.04 1.64 0.59 2f33A4 LEU 226 HG -0.29 0.07 -1.03 -0.04 1.64 0.34 2f33A4 LEU 226 HD13 -0.24 0.07 -0.19 -0.04 0.93 0.54 2f33A4 LEU 226 HD23 -0.63 -0.02 -0.09 -0.04 0.89 0.12 2f33A4 ASP 227 H 0.03 0.17 -0.04 -0.55 8.40 8.01 2f33A4 ASP 227 HA -0.06 0.24 0.80 -0.75 4.63 4.85 2f33A4 ASP 227 HB2 0.06 0.05 0.13 -0.04 2.71 2.91 2f33A4 ASP 227 HB3 0.02 -0.24 0.07 -0.04 2.70 2.51 2f33A4 ILE 228 H -0.06 0.33 0.18 -0.55 8.25 8.15 2f33A4 ILE 228 HA -0.08 0.04 0.34 -0.75 4.18 3.72 2f33A4 ILE 228 HB -0.06 0.09 0.09 -0.04 1.89 1.97 2f33A4 ILE 228 HG12 -0.03 0.06 0.03 -0.04 1.49 1.51 2f33A4 ILE 228 HG13 -0.03 -0.07 0.21 -0.04 1.21 1.27 2f33A4 ILE 228 HG23 -0.03 0.01 -0.02 -0.04 0.93 0.85 2f33A4 ILE 228 HD13 -0.05 0.01 0.02 -0.04 0.88 0.82 2f33A4 ASN 229 H -0.00 -0.00 -0.71 -0.55 8.53 7.27 2f33A4 ASN 229 HA 0.01 0.21 0.65 -0.75 4.76 4.88 2f33A4 ASN 229 HB2 0.01 0.02 0.06 -0.04 2.88 2.93 2f33A4 ASN 229 HB3 0.02 -0.01 0.06 -0.04 2.79 2.83 2f33A4 ASN 229 HD21 0.02 -0.00 -0.06 -0.04 7.03 6.95 2f33A4 ASN 229 HD22 0.01 0.03 -0.03 -0.04 7.74 7.72 2f33A4 ASN 230 H 0.06 0.08 -0.04 -0.55 8.53 8.08 2f33A4 ASN 230 HA 0.07 0.14 0.54 -0.75 4.76 4.76 2f33A4 ASN 230 HB2 0.14 -0.02 0.12 -0.04 2.88 3.08 2f33A4 ASN 230 HB3 0.24 0.00 0.01 -0.04 2.79 3.00 2f33A4 ASN 230 HD21 0.07 -0.01 0.01 -0.04 7.03 7.06 2f33A4 ASN 230 HD22 0.05 0.06 0.02 -0.04 7.74 7.82 2f33A4 ILE 231 H 0.04 0.16 -0.45 -0.55 8.25 7.45 2f33A4 ILE 231 HA 0.08 0.03 0.34 -0.75 4.18 3.88 2f33A4 ILE 231 HB -0.06 0.08 0.07 -0.04 1.89 1.94 2f33A4 ILE 231 HG12 -0.22 0.25 -1.11 -0.04 1.49 0.36 2f33A4 ILE 231 HG13 -0.20 0.03 -0.30 -0.04 1.21 0.69 2f33A4 ILE 231 HG23 -0.10 -0.00 -0.29 -0.04 0.93 0.50 2f33A4 ILE 231 HD13 -0.82 -0.02 -0.23 -0.04 0.88 -0.23 2f33A4 SER 232 H 0.01 0.36 -0.21 -0.55 8.46 8.08 2f33A4 SER 232 HA 0.00 0.04 0.33 -0.75 4.49 4.10 2f33A4 SER 232 HB2 0.02 0.07 0.02 -0.04 3.95 4.01 2f33A4 SER 232 HB3 0.00 0.01 0.06 -0.04 3.93 3.97 2f33A4 THR 233 H 0.06 0.07 -0.85 -0.55 8.28 7.01 2f33A4 THR 233 HA 0.03 0.02 0.45 -0.75 4.39 4.14 2f33A4 THR 233 HB 0.05 0.00 0.23 -0.04 4.32 4.57 2f33A4 THR 233 HG23 0.01 -0.02 -0.05 -0.04 1.22 1.11 2f33A4 TYR 234 H 0.16 0.37 0.14 -0.55 8.29 8.41 2f33A4 TYR 234 HA -0.57 -0.07 0.41 -0.75 4.56 3.58 2f33A4 TYR 234 HB2 -0.24 0.08 0.27 -0.04 3.06 3.13 2f33A4 TYR 234 HB3 -0.39 -0.07 -0.02 -0.04 2.98 2.47 2f33A4 TYR 234 HD2 -0.54 0.06 -0.40 -0.04 7.15 6.23 2f33A4 TYR 234 HE2 -0.25 -0.01 -0.05 -0.04 6.85 6.50 2f33A4 LYS 235 H 0.03 0.63 -0.32 -0.55 8.42 8.20 2f33A4 LYS 235 HA -0.01 -0.06 0.24 -0.75 4.32 3.74 2f33A4 LYS 235 HB2 -0.03 -0.14 -0.02 -0.04 1.87 1.63 2f33A4 LYS 235 HB3 -0.01 0.23 0.14 -0.04 1.79 2.11 2f33A4 LYS 235 HG2 -0.02 -0.14 0.05 -0.04 1.46 1.31 2f33A4 LYS 235 HG3 -0.03 0.08 0.16 -0.04 1.46 1.63 2f33A4 LYS 235 HD2 -0.01 -0.06 -0.06 -0.04 1.69 1.52 2f33A4 LYS 235 HD3 -0.00 0.23 -0.09 -0.04 1.68 1.78 2f33A4 LYS 235 HE2 0.01 -0.01 -0.47 -0.04 2.99 2.48 2f33A4 LYS 235 HE3 -0.01 -0.11 -0.13 -0.04 2.99 2.70 2f33A4 LYS 236 H 0.02 0.30 -0.36 -0.55 8.42 7.82 2f33A4 LYS 236 HA 0.02 0.03 0.46 -0.75 4.32 4.08 2f33A4 LYS 236 HB2 0.04 0.19 0.31 -0.04 1.87 2.36 2f33A4 LYS 236 HB3 0.02 -0.05 -0.02 -0.04 1.79 1.70 2f33A4 LYS 236 HG2 0.01 -0.03 0.01 -0.04 1.46 1.41 2f33A4 LYS 236 HG3 0.02 0.23 0.04 -0.04 1.46 1.71 2f33A4 LYS 236 HD2 0.02 -0.04 -0.00 -0.04 1.69 1.63 2f33A4 LYS 236 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.62 2f33A4 LYS 236 HE2 0.01 0.02 -0.08 -0.04 2.99 2.90 2f33A4 LYS 236 HE3 0.01 -0.02 -0.06 -0.04 2.99 2.88 2f33A4 ASN 237 H 0.10 0.65 0.07 -0.55 8.53 8.81 2f33A4 ASN 237 HA 0.02 0.13 0.50 -0.75 4.76 4.65 2f33A4 ASN 237 HB2 0.21 0.04 0.16 -0.04 2.88 3.25 2f33A4 ASN 237 HB3 0.54 -0.00 0.17 -0.04 2.79 3.46 2f33A4 ASN 237 HD21 -0.78 -0.06 0.02 -0.04 7.03 6.16 2f33A4 ASN 237 HD22 -0.39 0.06 -0.08 -0.04 7.74 7.29 2f33A4 ILE 238 H 0.25 0.48 -0.01 -0.55 8.25 8.42 2f33A4 ILE 238 HA 0.07 0.04 0.31 -0.75 4.18 3.85 2f33A4 ILE 238 HB 0.05 0.01 -0.10 -0.04 1.89 1.81 2f33A4 ILE 238 HG12 0.39 -0.09 0.09 -0.04 1.49 1.84 2f33A4 ILE 238 HG13 0.11 0.68 0.21 -0.04 1.21 2.18 2f33A4 ILE 238 HG23 0.07 -0.01 0.02 -0.04 0.93 0.97 2f33A4 ILE 238 HD13 0.09 -0.04 -0.08 -0.04 0.88 0.81 2f33A4 MET 239 H 0.05 0.20 -0.91 -0.55 8.47 7.26 2f33A4 MET 239 HA 0.02 -0.13 0.28 -0.75 4.52 3.94 2f33A4 MET 239 HB2 0.02 0.21 0.25 -0.04 2.15 2.59 2f33A4 MET 239 HB3 0.01 0.00 -0.04 -0.04 2.03 1.96 2f33A4 MET 239 HG2 -0.00 -0.20 0.05 -0.04 2.63 2.44 2f33A4 MET 239 HG3 -0.00 0.12 0.09 -0.04 2.56 2.72 2f33A4 MET 239 HE3 0.02 -0.05 -0.16 -0.04 2.10 1.87 2f33A4 ALA 240 H 0.00 0.68 -0.33 -0.55 8.40 8.21 2f33A4 ALA 240 HA -0.03 -0.01 0.39 -0.75 4.34 3.94 2f33A4 ALA 240 HB3 -0.09 -0.06 0.17 -0.04 1.41 1.39 2f33A4 LEU 241 H 0.00 0.47 -0.60 -0.55 8.37 7.71 2f33A4 LEU 241 HA -0.03 0.15 0.74 -0.75 4.35 4.47 2f33A4 LEU 241 HB2 0.05 0.13 -0.02 -0.04 1.64 1.76 2f33A4 LEU 241 HB3 0.13 -0.12 0.06 -0.04 1.64 1.67 2f33A4 LEU 241 HG 0.37 -0.06 -0.06 -0.04 1.64 1.85 2f33A4 LEU 241 HD13 -0.08 0.01 -0.45 -0.04 0.93 0.37 2f33A4 LEU 241 HD23 -0.09 0.04 0.01 -0.04 0.89 0.81 2f33A4 SER 242 H 0.04 0.24 -0.31 -0.55 8.46 7.88 2f33A4 SER 242 HA 0.17 -0.16 0.41 -0.75 4.49 4.15 2f33A4 SER 242 HB2 0.05 -0.12 -0.00 -0.04 3.95 3.84 2f33A4 SER 242 HB3 0.05 0.49 0.17 -0.04 3.93 4.60 2f33A4 ASP 243 H 0.33 0.19 0.36 -0.55 8.40 8.73 2f33A4 ASP 243 HA 0.16 0.19 0.95 -0.75 4.63 5.18 2f33A4 ASP 243 HB2 0.29 -0.12 0.21 -0.04 2.71 3.04 2f33A4 ASP 243 HB3 0.38 -0.02 0.14 -0.04 2.70 3.17 2f33A4 GLY 244 H 0.10 0.28 0.11 -0.55 8.43 8.37 2f33A4 GLY 244 HA2 0.06 0.05 0.30 -0.51 4.01 3.92 2f33A4 GLY 244 HA3 0.09 0.07 0.39 -0.51 4.01 4.05 2f33A4 GLY 245 H 0.06 0.16 -0.35 -0.55 8.43 7.75 2f33A4 GLY 245 HA2 0.02 -0.01 0.25 -0.51 4.01 3.76 2f33A4 GLY 245 HA3 0.02 0.18 0.57 -0.51 4.01 4.27 2f33A4 LYS 246 H 0.12 0.69 -0.67 -0.55 8.42 8.00 2f33A4 LYS 246 HA -0.24 -0.18 0.95 -0.75 4.32 4.09 2f33A4 LYS 246 HB2 0.12 0.15 -0.00 -0.04 1.87 2.09 2f33A4 LYS 246 HB3 -0.94 0.00 -0.05 -0.04 1.79 0.75 2f33A4 LYS 246 HG2 -0.27 -0.11 0.07 -0.04 1.46 1.10 2f33A4 LYS 246 HG3 -0.09 0.06 -0.08 -0.04 1.46 1.31 2f33A4 LYS 246 HD2 -0.21 0.01 -0.07 -0.04 1.69 1.38 2f33A4 LYS 246 HD3 -0.80 0.05 -0.12 -0.04 1.68 0.77 2f33A4 LYS 246 HE2 -1.46 -0.02 -0.49 -0.04 2.99 0.98 2f33A4 LYS 246 HE3 -0.76 -0.06 -0.61 -0.04 2.99 1.52 2f33A4 LEU 247 H -0.21 0.16 0.46 -0.55 8.37 8.23 2f33A4 LEU 247 HA 0.29 -0.22 0.90 -0.75 4.35 4.56 2f33A4 LEU 247 HB2 0.03 -0.05 -0.08 -0.04 1.64 1.50 2f33A4 LEU 247 HB3 -0.05 0.16 -0.05 -0.04 1.64 1.67 2f33A4 LEU 247 HG 0.02 -0.01 -0.27 -0.04 1.64 1.33 2f33A4 LEU 247 HD13 -0.03 -0.08 -0.73 -0.04 0.93 0.05 2f33A4 LEU 247 HD23 0.16 0.11 -0.18 -0.04 0.89 0.93 2f33A4 TYR 248 H 0.54 0.26 0.20 -0.55 8.29 8.74 2f33A4 TYR 248 HA 0.35 0.14 0.91 -0.75 4.56 5.21 2f33A4 TYR 248 HB2 0.18 0.10 0.25 -0.04 3.06 3.55 2f33A4 TYR 248 HB3 0.23 -0.00 0.15 -0.04 2.98 3.32 2f33A4 TYR 248 HD2 0.18 -0.09 0.04 -0.04 7.15 7.24 2f33A4 TYR 248 HE2 -0.12 0.05 -0.01 -0.04 6.85 6.73 2f33A4 ARG 249 H -0.18 0.34 0.17 -0.55 8.46 8.24 2f33A4 ARG 249 HA -0.20 0.01 0.24 -0.75 4.34 3.63 2f33A4 ARG 249 HB2 -1.53 0.11 0.10 -0.04 1.90 0.54 2f33A4 ARG 249 HB3 -3.86 0.07 -0.03 -0.04 1.80 -2.06 2f33A4 ARG 249 HG2 -0.21 -0.03 -0.04 -0.04 1.67 1.34 2f33A4 ARG 249 HG3 -0.30 0.09 -0.12 -0.04 1.67 1.29 2f33A4 ARG 249 HD2 0.27 0.05 -0.16 -0.04 3.22 3.33 2f33A4 ARG 249 HD3 0.17 -0.24 0.02 -0.04 3.22 3.14 2f33A4 THR 250 H 0.58 0.12 -0.67 -0.55 8.28 7.77 2f33A4 THR 250 HA 0.69 -0.01 0.29 -0.75 4.39 4.61 2f33A4 THR 250 HB 0.26 0.22 -0.13 -0.04 4.32 4.64 2f33A4 THR 250 HG23 0.26 0.08 0.06 -0.04 1.22 1.58 2f33A4 ASP 251 H 0.20 0.45 -0.77 -0.55 8.40 7.73 2f33A4 ASP 251 HA 0.19 0.10 0.65 -0.75 4.63 4.81 2f33A4 ASP 251 HB2 0.13 -0.07 -0.15 -0.04 2.71 2.59 2f33A4 ASP 251 HB3 0.12 -0.07 -0.13 -0.04 2.70 2.58 2f33A4 LEU 252 H 0.07 0.27 -0.00 -0.55 8.37 8.16 2f33A4 LEU 252 HA 0.02 0.11 0.50 -0.75 4.35 4.22 2f33A4 LEU 252 HB2 0.06 0.05 -0.03 -0.04 1.64 1.69 2f33A4 LEU 252 HB3 0.03 -0.01 -0.00 -0.04 1.64 1.62 2f33A4 LEU 252 HG 0.00 -0.01 -0.01 -0.04 1.64 1.57 2f33A4 LEU 252 HD13 -0.09 -0.00 -0.13 -0.04 0.93 0.66 2f33A4 LEU 252 HD23 0.02 0.01 -0.24 -0.04 0.89 0.64 2f33A4 ALA 253 H -0.01 0.53 -0.16 -0.55 8.40 8.22 2f33A4 ALA 253 HA -0.35 0.01 0.22 -0.75 4.34 3.48 2f33A4 ALA 253 HB3 -1.52 0.06 -0.04 -0.04 1.41 -0.13 2f33A4 LEU 254 H -0.09 0.29 -0.50 -0.55 8.37 7.53 2f33A4 LEU 254 HA -0.08 -0.01 0.38 -0.75 4.35 3.88 2f33A4 LEU 254 HB2 -0.19 0.03 -0.04 -0.04 1.64 1.40 2f33A4 LEU 254 HB3 -0.02 -0.15 0.22 -0.04 1.64 1.65 2f33A4 LEU 254 HG 0.04 0.40 -0.00 -0.04 1.64 2.04 2f33A4 LEU 254 HD13 0.39 -0.02 0.10 -0.04 0.93 1.36 2f33A4 LEU 254 HD23 0.20 0.20 0.20 -0.04 0.89 1.45 2f33A4 ILE 255 H -0.15 0.27 -0.56 -0.55 8.25 7.26 2f33A4 ILE 255 HA -0.34 0.03 0.49 -0.75 4.18 3.60 2f33A4 ILE 255 HB -0.04 0.16 0.23 -0.04 1.89 2.20 2f33A4 ILE 255 HG12 0.35 -0.07 -0.00 -0.04 1.49 1.72 2f33A4 ILE 255 HG13 -0.10 -0.02 -0.02 -0.04 1.21 1.03 2f33A4 ILE 255 HG23 0.14 -0.02 -0.28 -0.04 0.93 0.72 2f33A4 ILE 255 HD13 -0.08 0.01 -0.03 -0.04 0.88 0.74 2f33A4 LEU 256 H -0.24 0.47 -0.02 -0.55 8.37 8.03 2f33A4 LEU 256 HA -0.74 0.27 0.81 -0.75 4.35 3.93 2f33A4 LEU 256 HB2 0.25 -0.08 0.08 -0.04 1.64 1.85 2f33A4 LEU 256 HB3 0.32 0.02 -0.12 -0.04 1.64 1.82 2f33A4 LEU 256 HG -0.00 0.18 -0.21 -0.04 1.64 1.57 2f33A4 LEU 256 HD13 0.25 -0.04 -0.18 -0.04 0.93 0.93 2f33A4 LEU 256 HD23 0.15 -0.02 -0.18 -0.04 0.89 0.80 2f33A4 SER 257 H -0.20 0.44 -0.13 -0.55 8.46 8.03 2f33A4 SER 257 HA 0.03 -0.09 0.58 -0.75 4.49 4.26 2f33A4 SER 257 HB2 -0.19 -0.01 -0.02 -0.04 3.95 3.69 2f33A4 SER 257 HB3 -0.09 0.16 0.01 -0.04 3.93 3.97 2f33A4 ALA 258 H 0.08 -0.11 0.08 -0.55 8.40 7.91 2f33A4 ALA 258 HA 0.11 0.13 0.26 -0.75 4.34 4.09 2f33A4 ALA 258 HB3 0.08 0.04 -0.07 -0.04 1.41 1.42 2f33A4 GLY 259 H 0.04 -0.43 -0.95 -0.55 8.43 6.55 2f33A4 GLY 259 HA2 0.10 0.02 0.20 -0.51 4.01 3.82 2f33A4 GLY 259 HA3 0.08 0.29 0.89 -0.51 4.01 4.76 2f33A4 ASP 260 H 0.03 -0.30 -0.10 -0.55 8.40 7.48 2f33A4 ASP 260 HA 0.01 0.34 0.73 -0.75 4.63 4.95 2f33A4 ASP 260 HB2 0.04 0.04 -0.00 -0.04 2.71 2.74 2f33A4 ASP 260 HB3 0.02 -0.14 0.15 -0.04 2.70 2.69 2f33A4 ASN 261 H -0.06 0.13 0.03 -0.55 8.53 8.08 2f33A4 ASN 261 HA -0.26 0.12 0.22 -0.75 4.76 4.09 2f33A4 ASN 261 HB2 -0.34 0.23 -0.35 -0.04 2.88 2.39 2f33A4 ASN 261 HB3 -0.38 -0.00 -0.10 -0.04 2.79 2.27 2f33A4 ASN 261 HD21 -3.50 0.00 -0.10 -0.04 7.03 3.39 2f33A4 ASN 261 HD22 -1.13 0.00 -0.05 -0.04 7.74 6.52