============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 1 0.900 30.747 63.182 -6.050 -99.200 -91.000 TRP 14 1.040 36.329 82.961 4.872 -99.200 -91.000 TRP6 14 1.020 36.454 81.193 6.438 -99.200 -91.000 PHE 24 1.000 30.661 70.036 5.395 -99.200 -91.000 PHE 34 1.000 33.259 77.523 9.917 -99.200 -91.000 PHE 42 1.000 32.320 82.998 13.511 -99.200 -91.000 TYR 50 0.840 36.529 83.809 23.682 -99.200 -91.000 TYR 53 0.840 28.258 83.597 18.099 -99.200 -91.000 HIS 56 0.900 19.566 75.230 13.241 -99.200 -91.000 TRP 64 1.040 20.426 81.918 9.443 -99.200 -91.000 TRP6 64 1.020 19.212 83.513 10.698 -99.200 -91.000 PHE 66 1.000 20.396 76.407 17.709 -99.200 -91.000 TYR 68 0.840 27.938 76.726 22.920 -99.200 -91.000 TRP 71 1.040 33.670 84.219 32.653 -99.200 -91.000 TRP6 71 1.020 33.962 85.973 34.216 -99.200 -91.000 PHE 72 1.000 31.870 87.574 29.390 -99.200 -91.000 TYR 79 0.840 26.287 78.995 38.737 -99.200 -91.000 TYR 80 0.840 26.982 81.404 43.685 -99.200 -91.000 PHE 83 1.000 23.571 75.168 38.926 -99.200 -91.000 HIS 92 0.900 26.209 85.413 52.692 -99.200 -91.000 PHE 96 1.000 28.985 85.754 50.289 -99.200 -91.000 TYR 97 0.840 24.227 85.933 47.231 -99.200 -91.000 PHE 101 1.000 29.067 83.257 38.215 -99.200 -91.000 PHE 102 1.000 36.578 88.034 38.768 -99.200 -91.000 TYR 111 0.840 27.162 78.445 32.038 -99.200 -91.000 TRP 120 1.040 30.297 89.952 7.961 -99.200 -91.000 TRP6 120 1.020 31.801 91.736 8.316 -99.200 -91.000 PHE 124 1.000 37.199 80.827 11.740 -99.200 -91.000 TRP 136 1.040 37.297 71.086 32.238 -99.200 -91.000 TRP6 136 1.020 37.541 72.453 30.328 -99.200 -91.000 PHE 149 1.000 35.372 77.536 24.653 -99.200 -91.000 TYR 153 0.840 24.168 72.529 34.663 -99.200 -91.000 PHE 162 1.000 22.200 78.598 34.822 -99.200 -91.000 PHE 168 1.000 30.378 65.889 23.874 -99.200 -91.000 TYR 185 0.840 16.738 67.013 21.020 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fvuB1 HIS -2 HA -0.01 -0.07 0.17 -0.75 4.63 3.98 2fvuB1 HIS -2 HB2 -0.00 -0.04 0.09 -0.04 3.26 3.27 2fvuB1 HIS -2 HB3 -0.00 -0.04 0.07 -0.04 3.20 3.18 2fvuB1 HIS -2 HD2 0.01 -0.03 0.03 -0.04 6.97 6.93 2fvuB1 HIS -2 HE1 0.01 -0.03 0.00 -0.04 7.75 7.69 2fvuB1 MET -1 H 0.09 0.02 0.11 -0.55 8.47 8.14 2fvuB1 MET -1 HA 0.00 0.21 0.64 -0.75 4.52 4.62 2fvuB1 MET -1 HB2 0.06 -0.04 0.03 -0.04 2.15 2.16 2fvuB1 MET -1 HB3 0.03 0.03 0.17 -0.04 2.03 2.22 2fvuB1 MET -1 HG2 -0.00 0.03 0.00 -0.04 2.63 2.62 2fvuB1 MET -1 HG3 0.02 -0.04 0.07 -0.04 2.56 2.56 2fvuB1 MET -1 HE3 0.02 -0.00 -0.10 -0.04 2.10 1.98 2fvuB1 THR 0 H 0.02 0.44 0.43 -0.55 8.28 8.61 2fvuB1 THR 0 HA 0.06 0.19 0.87 -0.75 4.39 4.77 2fvuB1 THR 0 HB 0.01 -0.02 0.12 -0.04 4.32 4.38 2fvuB1 THR 0 HG23 -0.10 0.03 -0.07 -0.04 1.22 1.03 2fvuB1 MET 1 H 0.03 0.19 0.34 -0.55 8.47 8.48 2fvuB1 MET 1 HA 0.03 0.12 0.51 -0.75 4.52 4.42 2fvuB1 MET 1 HB2 0.02 0.15 -0.22 -0.04 2.15 2.06 2fvuB1 MET 1 HB3 0.03 -0.08 -0.03 -0.04 2.03 1.91 2fvuB1 MET 1 HG2 0.02 -0.04 -0.08 -0.04 2.63 2.50 2fvuB1 MET 1 HG3 0.02 0.05 0.10 -0.04 2.56 2.68 2fvuB1 MET 1 HE3 0.02 -0.01 -0.06 -0.04 2.10 2.01 2fvuB1 ALA 2 H 0.02 0.26 0.08 -0.55 8.40 8.21 2fvuB1 ALA 2 HA 0.03 0.30 0.78 -0.75 4.34 4.69 2fvuB1 ALA 2 HB3 0.02 0.02 0.00 -0.04 1.41 1.40 2fvuB1 LYS 3 H 0.03 0.55 0.31 -0.55 8.42 8.75 2fvuB1 LYS 3 HA 0.02 0.18 1.05 -0.75 4.32 4.82 2fvuB1 LYS 3 HB2 0.03 -0.03 0.10 -0.04 1.87 1.93 2fvuB1 LYS 3 HB3 0.02 0.07 -0.01 -0.04 1.79 1.84 2fvuB1 LYS 3 HG2 0.02 -0.12 -0.29 -0.04 1.46 1.02 2fvuB1 LYS 3 HG3 0.02 0.00 -0.03 -0.04 1.46 1.41 2fvuB1 LYS 3 HD2 0.02 0.00 0.07 -0.04 1.69 1.73 2fvuB1 LYS 3 HD3 0.02 0.20 0.15 -0.04 1.68 2.01 2fvuB1 LYS 3 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.91 2fvuB1 LYS 3 HE3 0.02 -0.01 0.01 -0.04 2.99 2.96 2fvuB1 THR 4 H 0.02 0.16 0.17 -0.55 8.28 8.08 2fvuB1 THR 4 HA 0.04 0.17 0.73 -0.75 4.39 4.57 2fvuB1 THR 4 HB 0.02 -0.06 0.13 -0.04 4.32 4.38 2fvuB1 THR 4 HG23 0.02 0.04 -0.02 -0.04 1.22 1.23 2fvuB1 LEU 5 H 0.08 0.72 0.35 -0.55 8.37 8.97 2fvuB1 LEU 5 HA 0.05 -0.01 0.40 -0.75 4.35 4.03 2fvuB1 LEU 5 HB2 0.12 0.37 -0.07 -0.04 1.64 2.02 2fvuB1 LEU 5 HB3 0.06 -0.40 -0.05 -0.04 1.64 1.21 2fvuB1 LEU 5 HG 0.09 0.09 -0.15 -0.04 1.64 1.63 2fvuB1 LEU 5 HD13 0.03 -0.00 -0.08 -0.04 0.93 0.84 2fvuB1 LEU 5 HD23 0.03 0.00 -0.04 -0.04 0.89 0.84 2fvuB1 LYS 6 H 0.04 0.14 0.19 -0.55 8.42 8.24 2fvuB1 LYS 6 HA 0.04 0.14 0.43 -0.75 4.32 4.18 2fvuB1 LYS 6 HB2 0.04 -0.05 0.13 -0.04 1.87 1.94 2fvuB1 LYS 6 HB3 0.03 0.02 0.06 -0.04 1.79 1.87 2fvuB1 LYS 6 HG2 0.03 0.05 0.07 -0.04 1.46 1.56 2fvuB1 LYS 6 HG3 0.03 0.01 0.15 -0.04 1.46 1.61 2fvuB1 LYS 6 HD2 0.03 -0.01 0.05 -0.04 1.69 1.71 2fvuB1 LYS 6 HD3 0.02 0.00 0.03 -0.04 1.68 1.70 2fvuB1 LYS 6 HE2 0.02 0.01 0.03 -0.04 2.99 3.01 2fvuB1 LYS 6 HE3 0.02 0.01 0.03 -0.04 2.99 3.01 2fvuB1 ASP 7 H 0.06 0.02 -0.04 -0.55 8.40 7.89 2fvuB1 ASP 7 HA 0.08 0.25 0.87 -0.75 4.63 5.06 2fvuB1 ASP 7 HB2 0.09 0.00 0.06 -0.04 2.71 2.82 2fvuB1 ASP 7 HB3 0.13 0.02 0.06 -0.04 2.70 2.86 2fvuB1 LEU 8 H 0.07 0.01 -0.29 -0.55 8.37 7.61 2fvuB1 LEU 8 HA 0.06 0.19 0.75 -0.75 4.35 4.60 2fvuB1 LEU 8 HB2 0.04 0.02 0.10 -0.04 1.64 1.76 2fvuB1 LEU 8 HB3 -0.03 0.00 0.07 -0.04 1.64 1.64 2fvuB1 LEU 8 HG 0.05 -0.06 -0.13 -0.04 1.64 1.46 2fvuB1 LEU 8 HD13 -0.13 0.01 -0.01 -0.04 0.93 0.75 2fvuB1 LEU 8 HD23 -0.07 0.04 -0.11 -0.04 0.89 0.71 2fvuB1 ASP 9 H 0.08 0.23 -0.53 -0.55 8.40 7.64 2fvuB1 ASP 9 HA 0.06 0.33 0.33 -0.75 4.63 4.59 2fvuB1 ASP 9 HB2 0.05 -0.04 0.07 -0.04 2.71 2.75 2fvuB1 ASP 9 HB3 0.03 -0.01 -0.01 -0.04 2.70 2.67 2fvuB1 GLY 10 H 0.07 0.08 -0.09 -0.55 8.43 7.94 2fvuB1 GLY 10 HA2 -0.09 0.05 0.39 -0.51 4.01 3.85 2fvuB1 GLY 10 HA3 -0.14 -0.03 0.38 -0.51 4.01 3.71 2fvuB1 TRP 11 H 0.20 0.60 -0.51 -0.55 7.97 7.72 2fvuB1 TRP 11 HA -0.08 0.17 1.21 -0.75 4.62 5.16 2fvuB1 TRP 11 HB2 -0.07 0.06 0.04 -0.04 3.23 3.22 2fvuB1 TRP 11 HB3 -0.10 -0.00 0.03 -0.04 3.23 3.11 2fvuB1 TRP 11 HD1 -0.09 -0.05 -0.25 -0.04 7.22 6.79 2fvuB1 TRP 11 HE1 -0.11 0.03 -0.14 -0.04 10.20 9.94 2fvuB1 TRP 11 HE3 -0.24 0.01 -0.36 -0.04 7.59 6.96 2fvuB1 TRP 11 HZ2 -0.32 0.06 -0.10 -0.04 7.44 7.05 2fvuB1 TRP 11 HZ3 -0.49 0.06 -0.30 -0.04 7.13 6.35 2fvuB1 TRP 11 HH2 -1.17 0.00 -0.15 -0.04 7.19 5.83 2fvuB1 GLN 12 H 0.20 0.51 0.40 -0.55 8.47 9.03 2fvuB1 GLN 12 HA 0.08 0.22 1.08 -0.75 4.36 4.98 2fvuB1 GLN 12 HB2 0.02 0.03 0.01 -0.04 2.15 2.16 2fvuB1 GLN 12 HB3 0.03 0.01 -0.13 -0.04 2.02 1.89 2fvuB1 GLN 12 HG2 0.02 -0.02 -0.26 -0.04 2.40 2.10 2fvuB1 GLN 12 HG3 -0.00 -0.01 -0.28 -0.04 2.39 2.06 2fvuB1 GLN 12 HE21 -0.00 0.02 -0.14 -0.04 6.97 6.80 2fvuB1 GLN 12 HE22 0.01 -0.06 -0.26 -0.04 7.69 7.33 2fvuB1 VAL 13 H 0.05 0.56 0.35 -0.55 8.24 8.65 2fvuB1 VAL 13 HA 0.04 0.29 1.01 -0.75 4.13 4.71 2fvuB1 VAL 13 HB 0.03 -0.07 0.14 -0.04 2.12 2.17 2fvuB1 VAL 13 HG13 0.02 0.00 -0.14 -0.04 0.97 0.81 2fvuB1 VAL 13 HG23 0.02 0.01 -0.09 -0.04 0.95 0.84 2fvuB1 ILE 14 H 0.09 0.75 0.37 -0.55 8.25 8.90 2fvuB1 ILE 14 HA 0.06 0.23 1.09 -0.75 4.18 4.80 2fvuB1 ILE 14 HB 0.12 -0.04 0.01 -0.04 1.89 1.95 2fvuB1 ILE 14 HG12 0.03 0.04 -0.04 -0.04 1.49 1.47 2fvuB1 ILE 14 HG13 0.04 -0.10 -0.48 -0.04 1.21 0.63 2fvuB1 ILE 14 HG23 0.05 0.02 -0.12 -0.04 0.93 0.84 2fvuB1 ILE 14 HD13 -0.01 0.00 -0.13 -0.04 0.88 0.70 2fvuB1 ILE 15 H 0.06 0.46 0.35 -0.55 8.25 8.57 2fvuB1 ILE 15 HA 0.11 0.51 1.22 -0.75 4.18 5.27 2fvuB1 ILE 15 HB 0.03 -0.11 0.04 -0.04 1.89 1.81 2fvuB1 ILE 15 HG12 0.03 0.09 -0.22 -0.04 1.49 1.34 2fvuB1 ILE 15 HG13 0.04 -0.09 -0.32 -0.04 1.21 0.80 2fvuB1 ILE 15 HG23 0.02 0.02 -0.11 -0.04 0.93 0.82 2fvuB1 ILE 15 HD13 0.01 -0.00 -0.10 -0.04 0.88 0.75 2fvuB1 THR 16 H 0.10 0.49 0.30 -0.55 8.28 8.63 2fvuB1 THR 16 HA -0.02 0.14 0.82 -0.75 4.39 4.57 2fvuB1 THR 16 HB 0.01 0.10 -0.10 -0.04 4.32 4.29 2fvuB1 THR 16 HG23 0.01 -0.04 -0.40 -0.04 1.22 0.76 2fvuB1 ASP 17 H -0.09 0.26 0.10 -0.55 8.40 8.12 2fvuB1 ASP 17 HA -0.01 0.21 0.87 -0.75 4.63 4.96 2fvuB1 ASP 17 HB2 -0.09 0.05 0.14 -0.04 2.71 2.77 2fvuB1 ASP 17 HB3 -0.03 0.02 0.11 -0.04 2.70 2.75 2fvuB1 GLU 37 HA 0.01 0.05 0.24 -0.75 4.29 3.84 2fvuB1 GLU 37 HB2 -0.01 -0.03 0.11 -0.04 2.09 2.11 2fvuB1 GLU 37 HB3 -0.01 -0.06 -0.09 -0.04 1.99 1.80 2fvuB1 GLU 37 HG2 -0.01 -0.06 -0.02 -0.04 2.34 2.22 2fvuB1 GLU 37 HG3 -0.01 0.01 0.09 -0.04 2.34 2.39 2fvuB1 ASN 38 H 0.04 0.37 0.20 -0.55 8.53 8.60 2fvuB1 ASN 38 HA -0.11 0.16 0.94 -0.75 4.76 5.00 2fvuB1 ASN 38 HB2 0.24 -0.08 -0.01 -0.04 2.88 2.99 2fvuB1 ASN 38 HB3 -0.23 -0.03 0.07 -0.04 2.79 2.55 2fvuB1 ASN 38 HD21 0.09 0.04 -0.10 -0.04 7.03 7.02 2fvuB1 ASN 38 HD22 0.23 -0.12 -0.08 -0.04 7.74 7.73 2fvuB1 VAL 39 H -0.29 0.17 0.25 -0.55 8.24 7.82 2fvuB1 VAL 39 HA -0.02 0.38 1.19 -0.75 4.13 4.92 2fvuB1 VAL 39 HB -0.12 -0.04 0.19 -0.04 2.12 2.11 2fvuB1 VAL 39 HG13 -0.03 -0.02 -0.16 -0.04 0.97 0.72 2fvuB1 VAL 39 HG23 -0.04 -0.00 -0.09 -0.04 0.95 0.78 2fvuB1 PHE 40 H 0.16 0.64 0.44 -0.55 8.34 9.03 2fvuB1 PHE 40 HA -0.02 0.19 1.03 -0.75 4.62 5.06 2fvuB1 PHE 40 HB2 -0.02 -0.06 -0.05 -0.04 3.15 2.98 2fvuB1 PHE 40 HB3 -0.04 0.04 -0.02 -0.04 3.06 3.00 2fvuB1 PHE 40 HD2 0.03 0.02 -0.32 -0.04 7.28 6.97 2fvuB1 PHE 40 HE2 0.04 0.03 -0.17 -0.04 7.38 7.23 2fvuB1 PHE 40 HZ 0.03 0.05 -0.11 -0.04 7.32 7.25 2fvuB1 LEU 41 H -0.17 0.66 0.40 -0.55 8.37 8.71 2fvuB1 LEU 41 HA -0.03 0.31 1.08 -0.75 4.35 4.96 2fvuB1 LEU 41 HB2 -0.95 0.00 0.14 -0.04 1.64 0.79 2fvuB1 LEU 41 HB3 -0.38 -0.01 -0.01 -0.04 1.64 1.20 2fvuB1 LEU 41 HG -0.12 -0.04 -0.21 -0.04 1.64 1.23 2fvuB1 LEU 41 HD13 -0.14 -0.02 -0.11 -0.04 0.93 0.63 2fvuB1 LEU 41 HD23 -0.08 0.03 -0.03 -0.04 0.89 0.77 2fvuB1 LYS 42 H 0.13 0.60 0.32 -0.55 8.42 8.92 2fvuB1 LYS 42 HA -0.03 0.31 1.11 -0.75 4.32 4.95 2fvuB1 LYS 42 HB2 -0.01 -0.04 -0.25 -0.04 1.87 1.53 2fvuB1 LYS 42 HB3 -0.02 -0.08 -0.03 -0.04 1.79 1.62 2fvuB1 LYS 42 HG2 -0.11 -0.00 -0.37 -0.04 1.46 0.94 2fvuB1 LYS 42 HG3 -0.07 0.17 -0.31 -0.04 1.46 1.21 2fvuB1 LYS 42 HD2 -0.05 -0.03 -0.14 -0.04 1.69 1.42 2fvuB1 LYS 42 HD3 -0.05 -0.07 -0.15 -0.04 1.68 1.38 2fvuB1 LYS 42 HE2 -0.07 -0.02 -0.08 -0.04 2.99 2.78 2fvuB1 LYS 42 HE3 -0.06 0.18 -0.05 -0.04 2.99 3.02 2fvuB1 ARG 43 H -0.35 0.87 0.23 -0.55 8.46 8.66 2fvuB1 ARG 43 HA -1.41 0.14 0.72 -0.75 4.34 3.04 2fvuB1 ARG 43 HB2 -1.65 0.04 0.07 -0.04 1.90 0.32 2fvuB1 ARG 43 HB3 -0.54 -0.11 0.22 -0.04 1.80 1.33 2fvuB1 ARG 43 HG2 -0.55 -0.18 -0.15 -0.04 1.67 0.75 2fvuB1 ARG 43 HG3 -1.07 0.09 0.04 -0.04 1.67 0.68 2fvuB1 ARG 43 HD2 -0.27 -0.08 0.02 -0.04 3.22 2.85 2fvuB1 ARG 43 HD3 -0.25 -0.00 -0.01 -0.04 3.22 2.92 2fvuB1 ILE 44 H -0.44 0.71 0.37 -0.55 8.25 8.34 2fvuB1 ILE 44 HA -0.16 0.06 0.25 -0.75 4.18 3.57 2fvuB1 ILE 44 HB -0.18 -0.04 0.16 -0.04 1.89 1.78 2fvuB1 ILE 44 HG12 -0.09 -0.03 -0.10 -0.04 1.49 1.24 2fvuB1 ILE 44 HG13 -0.13 0.07 -0.25 -0.04 1.21 0.86 2fvuB1 ILE 44 HG23 -0.09 0.00 -0.18 -0.04 0.93 0.63 2fvuB1 ILE 44 HD13 -0.04 -0.00 -0.06 -0.04 0.88 0.73 2fvuB1 SER 45 H -0.25 0.11 -0.01 -0.55 8.46 7.76 2fvuB1 SER 45 HA -0.11 0.07 0.33 -0.75 4.49 4.03 2fvuB1 SER 45 HB2 -0.10 0.04 0.02 -0.04 3.95 3.87 2fvuB1 SER 45 HB3 -0.13 -0.01 0.12 -0.04 3.93 3.87 2fvuB1 ASP 46 H -0.18 0.01 -0.15 -0.55 8.40 7.52 2fvuB1 ASP 46 HA -0.07 0.28 1.00 -0.75 4.63 5.08 2fvuB1 ASP 46 HB2 -0.05 0.03 0.10 -0.04 2.71 2.75 2fvuB1 ASP 46 HB3 -0.06 0.02 -0.02 -0.04 2.70 2.59 2fvuB1 GLY 47 H -0.16 0.42 -0.03 -0.55 8.43 8.11 2fvuB1 GLY 47 HA2 -0.11 0.06 0.25 -0.51 4.01 3.70 2fvuB1 GLY 47 HA3 -0.07 0.08 0.50 -0.51 4.01 4.00 2fvuB1 LEU 48 H -0.14 -0.06 -0.15 -0.55 8.37 7.47 2fvuB1 LEU 48 HA 0.01 0.10 0.46 -0.75 4.35 4.16 2fvuB1 LEU 48 HB2 -0.00 0.02 0.06 -0.04 1.64 1.68 2fvuB1 LEU 48 HB3 -0.12 -0.11 0.09 -0.04 1.64 1.46 2fvuB1 LEU 48 HG 0.15 0.06 0.07 -0.04 1.64 1.88 2fvuB1 LEU 48 HD13 0.27 -0.01 -0.01 -0.04 0.93 1.14 2fvuB1 LEU 48 HD23 0.25 0.01 -0.34 -0.04 0.89 0.77 2fvuB1 SER 49 H 0.08 0.25 0.29 -0.55 8.46 8.53 2fvuB1 SER 49 HA -0.03 0.24 0.89 -0.75 4.49 4.84 2fvuB1 SER 49 HB2 -0.01 0.02 0.03 -0.04 3.95 3.94 2fvuB1 SER 49 HB3 -0.04 0.04 -0.20 -0.04 3.93 3.69 2fvuB1 PHE 50 H -0.19 0.59 0.39 -0.55 8.34 8.57 2fvuB1 PHE 50 HA 0.22 0.12 0.57 -0.75 4.62 4.78 2fvuB1 PHE 50 HB2 0.21 0.01 0.10 -0.04 3.15 3.43 2fvuB1 PHE 50 HB3 0.21 0.08 -0.13 -0.04 3.06 3.18 2fvuB1 PHE 50 HD2 0.14 0.05 -0.39 -0.04 7.28 7.04 2fvuB1 PHE 50 HE2 -0.26 -0.01 -0.16 -0.04 7.38 6.90 2fvuB1 PHE 50 HZ -0.11 -0.03 -0.13 -0.04 7.32 7.01 2fvuB1 GLY 51 H 0.42 0.24 0.15 -0.55 8.43 8.70 2fvuB1 GLY 51 HA2 0.17 0.08 0.64 -0.51 4.01 4.39 2fvuB1 GLY 51 HA3 -0.04 0.13 0.44 -0.51 4.01 4.03 2fvuB1 LYS 52 H -0.12 0.21 0.16 -0.55 8.42 8.11 2fvuB1 LYS 52 HA 0.06 -0.01 0.23 -0.75 4.32 3.84 2fvuB1 LYS 52 HB2 -0.09 -0.03 0.17 -0.04 1.87 1.88 2fvuB1 LYS 52 HB3 0.01 0.11 -0.13 -0.04 1.79 1.74 2fvuB1 LYS 52 HG2 -0.06 0.38 -0.08 -0.04 1.46 1.66 2fvuB1 LYS 52 HG3 -0.07 -0.27 -0.11 -0.04 1.46 0.97 2fvuB1 LYS 52 HD2 -0.13 -0.03 0.18 -0.04 1.69 1.66 2fvuB1 LYS 52 HD3 -0.14 -0.14 0.17 -0.04 1.68 1.53 2fvuB1 LYS 52 HE2 -0.05 -0.08 0.09 -0.04 2.99 2.92 2fvuB1 LYS 52 HE3 -0.06 0.23 0.12 -0.04 2.99 3.24 2fvuB1 GLY 53 H 0.12 0.72 0.25 -0.55 8.43 8.97 2fvuB1 GLY 53 HA2 0.14 -0.01 0.38 -0.51 4.01 4.01 2fvuB1 GLY 53 HA3 0.12 0.11 0.53 -0.51 4.01 4.26 2fvuB1 GLU 54 H 0.16 0.29 -0.23 -0.55 8.60 8.27 2fvuB1 GLU 54 HA 0.16 0.12 0.79 -0.75 4.29 4.61 2fvuB1 GLU 54 HB2 0.19 0.02 0.07 -0.04 2.09 2.34 2fvuB1 GLU 54 HB3 0.17 0.02 0.07 -0.04 1.99 2.21 2fvuB1 GLU 54 HG2 0.19 0.02 -0.06 -0.04 2.34 2.45 2fvuB1 GLU 54 HG3 0.21 0.18 -0.16 -0.04 2.34 2.53 2fvuB1 SER 55 H 0.15 0.21 0.14 -0.55 8.46 8.41 2fvuB1 SER 55 HA 0.21 0.25 1.06 -0.75 4.49 5.26 2fvuB1 SER 55 HB2 0.12 -0.04 -0.01 -0.04 3.95 3.97 2fvuB1 SER 55 HB3 0.11 0.02 -0.16 -0.04 3.93 3.86 2fvuB1 VAL 56 H 0.19 0.56 0.33 -0.55 8.24 8.77 2fvuB1 VAL 56 HA 0.08 0.10 1.25 -0.75 4.13 4.81 2fvuB1 VAL 56 HB 0.41 -0.04 -0.07 -0.04 2.12 2.38 2fvuB1 VAL 56 HG13 -0.06 0.00 -0.09 -0.04 0.97 0.78 2fvuB1 VAL 56 HG23 -0.24 0.02 -0.22 -0.04 0.95 0.46 2fvuB1 ILE 57 H -0.07 0.89 0.43 -0.55 8.25 8.95 2fvuB1 ILE 57 HA 0.16 0.27 1.04 -0.75 4.18 4.90 2fvuB1 ILE 57 HB -0.18 -0.08 0.21 -0.04 1.89 1.80 2fvuB1 ILE 57 HG12 -0.01 -0.02 -0.17 -0.04 1.49 1.25 2fvuB1 ILE 57 HG13 0.04 -0.10 -0.12 -0.04 1.21 0.98 2fvuB1 ILE 57 HG23 -0.22 0.02 -0.12 -0.04 0.93 0.57 2fvuB1 ILE 57 HD13 0.05 -0.01 -0.06 -0.04 0.88 0.82 2fvuB1 PHE 58 H 0.45 0.55 0.29 -0.55 8.34 9.08 2fvuB1 PHE 58 HA -0.00 0.20 1.00 -0.75 4.62 5.07 2fvuB1 PHE 58 HB2 0.35 -0.05 -0.09 -0.04 3.15 3.32 2fvuB1 PHE 58 HB3 0.13 0.08 -0.09 -0.04 3.06 3.15 2fvuB1 PHE 58 HD2 0.07 -0.01 -0.50 -0.04 7.28 6.81 2fvuB1 PHE 58 HE2 -0.06 -0.04 -0.26 -0.04 7.38 6.99 2fvuB1 PHE 58 HZ 0.04 -0.01 -0.19 -0.04 7.32 7.12 2fvuB1 ASN 59 H 0.22 0.71 0.26 -0.55 8.53 9.18 2fvuB1 ASN 59 HA 0.19 0.07 0.54 -0.75 4.76 4.82 2fvuB1 ASN 59 HB2 0.11 0.06 0.08 -0.04 2.88 3.08 2fvuB1 ASN 59 HB3 0.16 -0.09 0.11 -0.04 2.79 2.93 2fvuB1 ASN 59 HD21 0.11 0.04 -0.14 -0.04 7.03 7.00 2fvuB1 ASN 59 HD22 0.15 -0.10 -0.15 -0.04 7.74 7.59 2fvuB1 ASP 60 H 0.14 0.44 0.13 -0.55 8.40 8.57 2fvuB1 ASP 60 HA 0.15 0.10 0.82 -0.75 4.63 4.95 2fvuB1 ASP 60 HB2 0.14 0.04 -0.18 -0.04 2.71 2.66 2fvuB1 ASP 60 HB3 0.08 0.15 -0.15 -0.04 2.70 2.74 2fvuB1 ASN 61 H 0.08 0.08 0.11 -0.55 8.53 8.25 2fvuB1 ASN 61 HA 0.07 0.20 0.61 -0.75 4.76 4.88 2fvuB1 ASN 61 HB2 0.06 -0.01 0.10 -0.04 2.88 2.99 2fvuB1 ASN 61 HB3 0.03 -0.04 0.10 -0.04 2.79 2.84 2fvuB1 ASN 61 HD21 0.04 0.01 -0.00 -0.04 7.03 7.04 2fvuB1 ASN 61 HD22 0.05 -0.03 -0.01 -0.04 7.74 7.72 2fvuB1 VAL 62 H 0.04 -0.01 0.05 -0.55 8.24 7.76 2fvuB1 VAL 62 HA 0.00 0.12 0.33 -0.75 4.13 3.83 2fvuB1 VAL 62 HB 0.02 -0.14 0.16 -0.04 2.12 2.12 2fvuB1 VAL 62 HG13 -0.01 0.04 -0.10 -0.04 0.97 0.85 2fvuB1 VAL 62 HG23 0.01 -0.00 0.07 -0.04 0.95 0.99 2fvuB1 THR 63 H 0.01 0.06 -0.04 -0.55 8.28 7.76 2fvuB1 THR 63 HA -0.09 0.08 0.29 -0.75 4.39 3.92 2fvuB1 THR 63 HB -0.14 -0.01 0.04 -0.04 4.32 4.16 2fvuB1 THR 63 HG23 0.05 -0.01 0.00 -0.04 1.22 1.23 2fvuB1 GLU 64 H 0.01 0.07 -1.08 -0.55 8.60 7.06 2fvuB1 GLU 64 HA 0.02 0.09 0.30 -0.75 4.29 3.95 2fvuB1 GLU 64 HB2 -0.03 0.02 -0.18 -0.04 2.09 1.86 2fvuB1 GLU 64 HB3 -0.05 0.09 0.39 -0.04 1.99 2.38 2fvuB1 GLU 64 HG2 0.02 -0.02 0.05 -0.04 2.34 2.35 2fvuB1 GLU 64 HG3 0.00 -0.02 0.04 -0.04 2.34 2.32 2fvuB1 THR 65 H -0.07 0.44 -0.79 -0.55 8.28 7.30 2fvuB1 THR 65 HA 0.05 0.08 0.43 -0.75 4.39 4.19 2fvuB1 THR 65 HB -0.10 0.03 0.09 -0.04 4.32 4.30 2fvuB1 THR 65 HG23 -0.11 0.04 -0.15 -0.04 1.22 0.96 2fvuB1 TYR 66 H -0.08 0.07 0.10 -0.55 8.29 7.83 2fvuB1 TYR 66 HA 0.10 0.12 0.69 -0.75 4.56 4.71 2fvuB1 TYR 66 HB2 0.08 0.13 -0.00 -0.04 3.06 3.22 2fvuB1 TYR 66 HB3 0.08 -0.02 -0.00 -0.04 2.98 2.99 2fvuB1 TYR 66 HD2 0.07 0.03 -0.31 -0.04 7.15 6.91 2fvuB1 TYR 66 HE2 0.11 -0.03 -0.11 -0.04 6.85 6.79 2fvuB1 SER 67 H 0.28 0.80 0.29 -0.55 8.46 9.28 2fvuB1 SER 67 HA -0.06 0.14 0.84 -0.75 4.49 4.65 2fvuB1 SER 67 HB2 0.15 0.04 -0.08 -0.04 3.95 4.02 2fvuB1 SER 67 HB3 -0.64 0.03 -0.07 -0.04 3.93 3.21 2fvuB1 VAL 68 H -0.24 0.23 0.14 -0.55 8.24 7.82 2fvuB1 VAL 68 HA 0.01 0.31 1.01 -0.75 4.13 4.69 2fvuB1 VAL 68 HB -0.30 -0.06 -0.05 -0.04 2.12 1.67 2fvuB1 VAL 68 HG13 -0.37 0.00 -0.26 -0.04 0.97 0.30 2fvuB1 VAL 68 HG23 -0.30 0.01 -0.26 -0.04 0.95 0.35 2fvuB1 TYR 69 H 0.24 0.74 0.31 -0.55 8.29 9.03 2fvuB1 TYR 69 HA 0.11 0.20 0.99 -0.75 4.56 5.11 2fvuB1 TYR 69 HB2 -0.06 -0.06 -0.10 -0.04 3.06 2.80 2fvuB1 TYR 69 HB3 -0.05 0.04 -0.11 -0.04 2.98 2.82 2fvuB1 TYR 69 HD2 -0.02 0.06 -0.26 -0.04 7.15 6.89 2fvuB1 TYR 69 HE2 0.01 0.01 -0.19 -0.04 6.85 6.65 2fvuB1 LEU 70 H 0.07 0.62 0.22 -0.55 8.37 8.73 2fvuB1 LEU 70 HA 0.22 0.18 0.80 -0.75 4.35 4.80 2fvuB1 LEU 70 HB2 -0.02 -0.03 -0.08 -0.04 1.64 1.47 2fvuB1 LEU 70 HB3 0.02 -0.03 0.11 -0.04 1.64 1.70 2fvuB1 LEU 70 HG 0.26 0.02 -0.33 -0.04 1.64 1.55 2fvuB1 LEU 70 HD13 0.17 0.03 -0.27 -0.04 0.93 0.83 2fvuB1 LEU 70 HD23 0.07 -0.01 -0.13 -0.04 0.89 0.78 2fvuB1 ILE 71 H 0.13 0.66 0.22 -0.55 8.25 8.72 2fvuB1 ILE 71 HA 0.04 -0.00 0.39 -0.75 4.18 3.85 2fvuB1 ILE 71 HB 0.13 -0.01 0.06 -0.04 1.89 2.03 2fvuB1 ILE 71 HG12 0.04 -0.05 -0.14 -0.04 1.49 1.29 2fvuB1 ILE 71 HG13 0.08 0.14 0.05 -0.04 1.21 1.44 2fvuB1 ILE 71 HG23 0.09 -0.01 -0.32 -0.04 0.93 0.65 2fvuB1 ILE 71 HD13 0.09 0.03 -0.15 -0.04 0.88 0.80 2fvuB1 HIS 72 H 0.02 0.52 0.54 -0.55 8.41 8.95 2fvuB1 HIS 72 HA 0.02 0.13 0.83 -0.75 4.63 4.85 2fvuB1 HIS 72 HB2 -0.87 -0.03 0.01 -0.04 3.26 2.32 2fvuB1 HIS 72 HB3 -0.30 0.06 -0.02 -0.04 3.20 2.89 2fvuB1 HIS 72 HD2 0.20 0.02 0.04 -0.04 6.97 7.19 2fvuB1 HIS 72 HE1 -0.05 -0.07 -0.13 -0.04 7.75 7.45 2fvuB1 GLU 73 H 0.03 0.50 0.29 -0.55 8.60 8.88 2fvuB1 GLU 73 HA -0.11 0.11 0.58 -0.75 4.29 4.13 2fvuB1 GLU 73 HB2 -0.42 0.19 -0.12 -0.04 2.09 1.69 2fvuB1 GLU 73 HB3 -0.12 -0.09 -0.05 -0.04 1.99 1.69 2fvuB1 GLU 73 HG2 -0.02 -0.06 -0.45 -0.04 2.34 1.77 2fvuB1 GLU 73 HG3 -0.11 0.08 0.02 -0.04 2.34 2.29 2fvuB1 ILE 74 H -0.05 0.28 0.14 -0.55 8.25 8.07 2fvuB1 ILE 74 HA 0.04 0.21 0.97 -0.75 4.18 4.66 2fvuB1 ILE 74 HB -0.06 0.04 0.11 -0.04 1.89 1.93 2fvuB1 ILE 74 HG12 0.05 -0.00 -0.11 -0.04 1.49 1.39 2fvuB1 ILE 74 HG13 0.04 -0.10 -0.30 -0.04 1.21 0.81 2fvuB1 ILE 74 HG23 -0.02 -0.00 -0.30 -0.04 0.93 0.57 2fvuB1 ILE 74 HD13 0.03 0.03 -0.09 -0.04 0.88 0.81 2fvuB1 ARG 75 H 0.11 0.65 0.27 -0.55 8.46 8.93 2fvuB1 ARG 75 HA 0.02 0.18 0.89 -0.75 4.34 4.68 2fvuB1 ARG 75 HB2 0.17 -0.06 0.16 -0.04 1.90 2.13 2fvuB1 ARG 75 HB3 0.06 0.05 0.05 -0.04 1.80 1.91 2fvuB1 ARG 75 HG2 -0.00 0.05 -0.12 -0.04 1.67 1.55 2fvuB1 ARG 75 HG3 0.18 0.00 -0.16 -0.04 1.67 1.65 2fvuB1 ARG 75 HD2 0.11 -0.02 -0.03 -0.04 3.22 3.24 2fvuB1 ARG 75 HD3 -0.06 0.02 -0.03 -0.04 3.22 3.12 2fvuB1 LEU 76 H 0.01 0.28 0.07 -0.55 8.37 8.19 2fvuB1 LEU 76 HA 0.02 0.27 -3.12 -0.75 4.35 0.77 2fvuB1 LEU 76 HB2 0.01 0.03 -0.32 -0.04 1.64 1.32 2fvuB1 LEU 76 HB3 0.01 0.02 -0.01 -0.04 1.64 1.62 2fvuB1 LEU 76 HG 0.02 -0.00 0.07 -0.04 1.64 1.68 2fvuB1 LEU 76 HD13 0.02 0.01 0.19 -0.04 0.93 1.11 2fvuB1 LEU 76 HD23 0.02 -0.00 -0.07 -0.04 0.89 0.79 2fvuB1 VAL 83 HA 0.03 0.19 0.71 -0.75 4.13 4.30 2fvuB1 VAL 83 HB 0.00 0.04 -0.17 -0.04 2.12 1.95 2fvuB1 VAL 83 HG13 0.01 -0.04 -0.09 -0.04 0.97 0.81 2fvuB1 VAL 83 HG23 -0.02 -0.04 -0.16 -0.04 0.95 0.68 2fvuB1 GLU 84 H 0.06 0.46 0.30 -0.55 8.60 8.88 2fvuB1 GLU 84 HA -0.09 0.17 0.93 -0.75 4.29 4.54 2fvuB1 GLU 84 HB2 0.33 -0.07 0.09 -0.04 2.09 2.41 2fvuB1 GLU 84 HB3 -0.14 -0.01 0.01 -0.04 1.99 1.81 2fvuB1 GLU 84 HG2 0.04 0.12 -0.21 -0.04 2.34 2.25 2fvuB1 GLU 84 HG3 0.12 0.00 -0.14 -0.04 2.34 2.28 2fvuB1 ILE 85 H -0.24 0.25 0.13 -0.55 8.25 7.84 2fvuB1 ILE 85 HA -0.03 0.20 0.92 -0.75 4.18 4.51 2fvuB1 ILE 85 HB -0.22 0.05 0.19 -0.04 1.89 1.87 2fvuB1 ILE 85 HG12 -0.00 0.04 -0.13 -0.04 1.49 1.36 2fvuB1 ILE 85 HG13 -0.07 -0.03 -0.19 -0.04 1.21 0.87 2fvuB1 ILE 85 HG23 -0.08 -0.00 -0.19 -0.04 0.93 0.61 2fvuB1 ILE 85 HD13 -0.02 -0.01 -0.11 -0.04 0.88 0.70 2fvuB1 TRP 86 H 0.17 0.77 0.31 -0.55 7.97 8.68 2fvuB1 TRP 86 HA -0.13 0.22 0.81 -0.75 4.62 4.76 2fvuB1 TRP 86 HB2 -0.08 0.03 0.15 -0.04 3.23 3.28 2fvuB1 TRP 86 HB3 -0.08 0.01 -0.08 -0.04 3.23 3.03 2fvuB1 TRP 86 HD1 -0.06 0.08 -0.14 -0.04 7.22 7.06 2fvuB1 TRP 86 HE1 -0.04 0.00 -0.08 -0.04 10.20 10.04 2fvuB1 TRP 86 HE3 -0.09 0.03 -0.38 -0.04 7.59 7.12 2fvuB1 TRP 86 HZ2 -0.03 0.01 -0.05 -0.04 7.44 7.32 2fvuB1 TRP 86 HZ3 -0.05 0.15 -0.04 -0.04 7.13 7.16 2fvuB1 TRP 86 HH2 -0.04 0.01 -0.01 -0.04 7.19 7.11 2fvuB1 VAL 87 H -0.06 0.96 0.43 -0.55 8.24 9.02 2fvuB1 VAL 87 HA -0.13 0.03 1.06 -0.75 4.13 4.33 2fvuB1 VAL 87 HB 0.00 0.02 -0.21 -0.04 2.12 1.89 2fvuB1 VAL 87 HG13 -0.20 0.00 -0.47 -0.04 0.97 0.26 2fvuB1 VAL 87 HG23 -0.31 0.04 -0.28 -0.04 0.95 0.36 2fvuB1 PHE 88 H 0.02 0.54 0.30 -0.55 8.34 8.64 2fvuB1 PHE 88 HA -0.00 0.41 0.81 -0.75 4.62 5.08 2fvuB1 PHE 88 HB2 -0.14 -0.09 0.12 -0.04 3.15 3.00 2fvuB1 PHE 88 HB3 -0.13 0.27 0.06 -0.04 3.06 3.21 2fvuB1 PHE 88 HD2 -0.05 0.04 -0.29 -0.04 7.28 6.94 2fvuB1 PHE 88 HE2 -0.13 0.04 -0.07 -0.04 7.38 7.18 2fvuB1 PHE 88 HZ -0.62 -0.06 -0.07 -0.04 7.32 6.53 2fvuB1 SER 89 H 0.14 0.31 0.20 -0.55 8.46 8.56 2fvuB1 SER 89 HA 0.08 0.14 0.84 -0.75 4.49 4.79 2fvuB1 SER 89 HB2 0.05 -0.10 0.10 -0.04 3.95 3.96 2fvuB1 SER 89 HB3 0.01 0.10 0.00 -0.04 3.93 4.00 2fvuB1 TYR 90 H -0.02 0.50 0.35 -0.55 8.29 8.57 2fvuB1 TYR 90 HA -0.02 0.13 0.89 -0.75 4.56 4.81 2fvuB1 TYR 90 HB2 -0.19 0.09 0.01 -0.04 3.06 2.93 2fvuB1 TYR 90 HB3 -0.13 -0.01 -0.16 -0.04 2.98 2.64 2fvuB1 TYR 90 HD2 -0.09 0.01 -0.58 -0.04 7.15 6.45 2fvuB1 TYR 90 HE2 -0.04 -0.01 -0.33 -0.04 6.85 6.43 2fvuB1 LEU 91 H 0.19 0.80 0.34 -0.55 8.37 9.15 2fvuB1 LEU 91 HA -0.03 0.11 0.80 -0.75 4.35 4.47 2fvuB1 LEU 91 HB2 0.20 -0.05 0.02 -0.04 1.64 1.77 2fvuB1 LEU 91 HB3 -0.00 0.07 -0.05 -0.04 1.64 1.62 2fvuB1 LEU 91 HG 0.06 0.00 -0.14 -0.04 1.64 1.53 2fvuB1 LEU 91 HD13 -0.02 0.02 -0.14 -0.04 0.93 0.74 2fvuB1 LEU 91 HD23 -0.01 -0.02 -0.14 -0.04 0.89 0.68 2fvuB1 ARG 92 H -0.29 0.12 0.15 -0.55 8.46 7.90 2fvuB1 ARG 92 HA -0.09 0.23 0.74 -0.75 4.34 4.47 2fvuB1 ARG 92 HB2 -1.07 -0.02 0.09 -0.04 1.90 0.86 2fvuB1 ARG 92 HB3 -0.69 -0.02 0.10 -0.04 1.80 1.15 2fvuB1 ARG 92 HG2 -0.15 0.05 -0.06 -0.04 1.67 1.47 2fvuB1 ARG 92 HG3 -0.23 -0.03 -0.09 -0.04 1.67 1.28 2fvuB1 ARG 92 HD2 -0.25 0.01 -0.07 -0.04 3.22 2.87 2fvuB1 ARG 92 HD3 -0.24 0.04 0.03 -0.04 3.22 3.01 2fvuB1 TRP 93 H 0.23 0.27 0.13 -0.55 7.97 8.05 2fvuB1 TRP 93 HA 0.11 0.07 0.26 -0.75 4.62 4.31 2fvuB1 TRP 93 HB2 -0.07 0.03 -0.04 -0.04 3.23 3.10 2fvuB1 TRP 93 HB3 -0.05 0.12 0.11 -0.04 3.23 3.36 2fvuB1 TRP 93 HD1 -0.07 0.12 0.15 -0.04 7.22 7.38 2fvuB1 TRP 93 HE1 0.19 0.02 0.05 -0.04 10.20 10.43 2fvuB1 TRP 93 HE3 0.18 -0.00 -0.29 -0.04 7.59 7.44 2fvuB1 TRP 93 HZ2 0.19 0.00 0.02 -0.04 7.44 7.61 2fvuB1 TRP 93 HZ3 0.43 -0.00 -0.02 -0.04 7.13 7.49 2fvuB1 TRP 93 HH2 0.44 0.00 0.02 -0.04 7.19 7.61 2fvuB1 PHE 94 H -1.97 0.08 -0.20 -0.55 8.34 5.69 2fvuB1 PHE 94 HA -0.44 0.14 0.47 -0.75 4.62 4.03 2fvuB1 PHE 94 HB2 -0.65 0.03 0.13 -0.04 3.15 2.62 2fvuB1 PHE 94 HB3 -2.28 0.01 0.08 -0.04 3.06 0.83 2fvuB1 PHE 94 HD2 -0.85 0.04 -0.20 -0.04 7.28 6.23 2fvuB1 PHE 94 HE2 -0.22 0.00 -0.02 -0.04 7.38 7.09 2fvuB1 PHE 94 HZ -0.25 0.07 -0.03 -0.04 7.32 7.07 2fvuB1 GLU 95 H -0.42 0.48 -0.46 -0.55 8.60 7.65 2fvuB1 GLU 95 HA -0.02 0.15 0.75 -0.75 4.29 4.42 2fvuB1 GLU 95 HB2 -0.16 0.06 0.04 -0.04 2.09 1.99 2fvuB1 GLU 95 HB3 -0.06 0.01 0.13 -0.04 1.99 2.02 2fvuB1 GLU 95 HG2 0.08 0.03 -0.04 -0.04 2.34 2.37 2fvuB1 GLU 95 HG3 -0.46 -0.09 -0.09 -0.04 2.34 1.66 2fvuB1 LEU 96 H -0.09 0.34 -0.22 -0.55 8.37 7.86 2fvuB1 LEU 96 HA -0.10 0.15 0.61 -0.75 4.35 4.26 2fvuB1 LEU 96 HB2 -0.28 0.08 -0.05 -0.04 1.64 1.35 2fvuB1 LEU 96 HB3 -0.17 -0.08 -0.04 -0.04 1.64 1.32 2fvuB1 LEU 96 HG -0.10 0.05 -0.10 -0.04 1.64 1.45 2fvuB1 LEU 96 HD13 -0.59 -0.01 -0.12 -0.04 0.93 0.16 2fvuB1 LEU 96 HD23 -0.16 -0.02 -0.28 -0.04 0.89 0.39 2fvuB1 LYS 97 H -0.12 0.25 0.06 -0.55 8.42 8.06 2fvuB1 LYS 97 HA -0.16 0.22 0.78 -0.75 4.32 4.40 2fvuB1 LYS 97 HB2 -0.08 -0.01 0.21 -0.04 1.87 1.95 2fvuB1 LYS 97 HB3 -0.08 -0.08 0.09 -0.04 1.79 1.67 2fvuB1 LYS 97 HG2 -0.07 0.01 -0.08 -0.04 1.46 1.28 2fvuB1 LYS 97 HG3 -0.09 0.06 -0.19 -0.04 1.46 1.20 2fvuB1 LYS 97 HD2 -0.08 0.09 0.00 -0.04 1.69 1.67 2fvuB1 LYS 97 HD3 -0.06 -0.11 0.01 -0.04 1.68 1.47 2fvuB1 LYS 97 HE2 -0.05 -0.09 -0.01 -0.04 2.99 2.80 2fvuB1 LYS 97 HE3 -0.06 0.09 -0.01 -0.04 2.99 2.97 2fvuB1 PRO 98 HA -0.86 0.05 0.34 -0.51 4.44 3.47 2fvuB1 PRO 98 HB2 0.04 0.03 -0.24 -0.04 2.28 2.06 2fvuB1 PRO 98 HB3 -0.45 0.09 0.04 -0.04 2.02 1.67 2fvuB1 PRO 98 HG2 -0.04 -0.08 0.01 -0.04 2.03 1.88 2fvuB1 PRO 98 HG3 -0.03 0.09 0.02 -0.04 2.03 2.07 2fvuB1 PRO 98 HD2 -0.17 0.13 0.23 -0.04 3.68 3.84 2fvuB1 PRO 98 HD3 -0.42 0.29 -0.01 -0.04 3.65 3.47 2fvuB1 LYS 99 H -0.08 0.15 -0.22 -0.55 8.42 7.70 2fvuB1 LYS 99 HA -0.12 0.09 0.36 -0.75 4.32 3.89 2fvuB1 LYS 99 HB2 -0.11 -0.02 0.06 -0.04 1.87 1.76 2fvuB1 LYS 99 HB3 -0.10 0.03 0.02 -0.04 1.79 1.69 2fvuB1 LYS 99 HG2 -0.22 0.03 -0.09 -0.04 1.46 1.14 2fvuB1 LYS 99 HG3 -0.78 0.01 0.01 -0.04 1.46 0.66 2fvuB1 LYS 99 HD2 -0.11 -0.05 -0.01 -0.04 1.69 1.48 2fvuB1 LYS 99 HD3 -0.08 -0.00 -0.02 -0.04 1.68 1.53 2fvuB1 LYS 99 HE2 -0.10 0.01 -0.02 -0.04 2.99 2.84 2fvuB1 LYS 99 HE3 -0.21 0.07 -0.00 -0.04 2.99 2.80 2fvuB1 LEU 100 H -0.07 0.24 -0.17 -0.55 8.37 7.82 2fvuB1 LEU 100 HA -0.03 0.07 0.50 -0.75 4.35 4.14 2fvuB1 LEU 100 HB2 -0.03 0.11 0.19 -0.04 1.64 1.87 2fvuB1 LEU 100 HB3 -0.02 0.15 0.12 -0.04 1.64 1.84 2fvuB1 LEU 100 HG -0.06 -0.13 0.01 -0.04 1.64 1.43 2fvuB1 LEU 100 HD13 -0.07 -0.00 0.03 -0.04 0.93 0.85 2fvuB1 LEU 100 HD23 -0.05 0.02 0.05 -0.04 0.89 0.87 2fvuB1 TYR 101 H 0.05 0.36 -0.19 -0.55 8.29 7.96 2fvuB1 TYR 101 HA 0.22 0.06 0.38 -0.75 4.56 4.46 2fvuB1 TYR 101 HB2 -0.17 0.01 -0.02 -0.04 3.06 2.84 2fvuB1 TYR 101 HB3 -0.40 0.14 0.11 -0.04 2.98 2.79 2fvuB1 TYR 101 HD2 -0.67 0.02 -0.13 -0.04 7.15 6.33 2fvuB1 TYR 101 HE2 -0.29 0.00 -0.09 -0.04 6.85 6.44 2fvuB1 TYR 102 H 0.07 0.56 -0.13 -0.55 8.29 8.25 2fvuB1 TYR 102 HA 0.14 -0.02 0.38 -0.75 4.56 4.30 2fvuB1 TYR 102 HB2 0.10 0.10 0.05 -0.04 3.06 3.27 2fvuB1 TYR 102 HB3 0.19 -0.02 -0.03 -0.04 2.98 3.08 2fvuB1 TYR 102 HD2 0.35 -0.05 -0.10 -0.04 7.15 7.30 2fvuB1 TYR 102 HE2 0.32 0.06 -0.05 -0.04 6.85 7.14 2fvuB1 GLU 103 H 0.05 0.30 -0.52 -0.55 8.60 7.89 2fvuB1 GLU 103 HA 0.02 -0.01 0.39 -0.75 4.29 3.94 2fvuB1 GLU 103 HB2 -0.03 0.16 0.18 -0.04 2.09 2.36 2fvuB1 GLU 103 HB3 -0.04 -0.03 0.03 -0.04 1.99 1.91 2fvuB1 GLU 103 HG2 -0.03 -0.05 0.02 -0.04 2.34 2.24 2fvuB1 GLU 103 HG3 -0.05 0.27 0.07 -0.04 2.34 2.58 2fvuB1 GLN 104 H -0.13 0.32 -0.32 -0.55 8.47 7.80 2fvuB1 GLN 104 HA -0.21 0.14 0.73 -0.75 4.36 4.27 2fvuB1 GLN 104 HB2 -0.26 0.04 0.12 -0.04 2.15 2.02 2fvuB1 GLN 104 HB3 -0.88 0.04 0.16 -0.04 2.02 1.30 2fvuB1 GLN 104 HG2 -0.76 -0.00 -0.08 -0.04 2.40 1.52 2fvuB1 GLN 104 HG3 -0.30 -0.00 0.10 -0.04 2.39 2.15 2fvuB1 GLN 104 HE21 -0.06 0.34 0.15 -0.04 6.97 7.36 2fvuB1 GLN 104 HE22 -0.38 -0.04 0.02 -0.04 7.69 7.24 2fvuB1 PHE 105 H -0.25 0.50 0.11 -0.55 8.34 8.14 2fvuB1 PHE 105 HA -0.08 0.18 0.76 -0.75 4.62 4.73 2fvuB1 PHE 105 HB2 -0.31 0.01 0.01 -0.04 3.15 2.82 2fvuB1 PHE 105 HB3 -0.14 -0.04 0.08 -0.04 3.06 2.91 2fvuB1 PHE 105 HD2 -0.79 0.09 0.01 -0.04 7.28 6.54 2fvuB1 PHE 105 HE2 -0.89 -0.02 -0.05 -0.04 7.38 6.38 2fvuB1 PHE 105 HZ -1.18 -0.04 -0.08 -0.04 7.32 5.97 2fvuB1 ARG 106 H 0.12 0.44 -0.24 -0.55 8.46 8.24 2fvuB1 ARG 106 HA 0.09 0.14 0.73 -0.75 4.34 4.55 2fvuB1 ARG 106 HB2 0.21 0.02 -0.22 -0.04 1.90 1.87 2fvuB1 ARG 106 HB3 0.13 -0.04 0.22 -0.04 1.80 2.07 2fvuB1 ARG 106 HG2 0.05 -0.23 0.11 -0.04 1.67 1.56 2fvuB1 ARG 106 HG3 0.07 0.10 0.12 -0.04 1.67 1.91 2fvuB1 ARG 106 HD2 0.06 0.06 -0.03 -0.04 3.22 3.28 2fvuB1 ARG 106 HD3 -0.11 -0.02 -0.01 -0.04 3.22 3.04 2fvuB1 PRO 107 HA 0.04 0.08 0.42 -0.51 4.44 4.47 2fvuB1 PRO 107 HB2 0.01 -0.04 0.06 -0.04 2.28 2.28 2fvuB1 PRO 107 HB3 -0.01 0.27 0.16 -0.04 2.02 2.40 2fvuB1 PRO 107 HG2 0.02 -0.06 -0.05 -0.04 2.03 1.91 2fvuB1 PRO 107 HG3 0.00 0.08 0.00 -0.04 2.03 2.07 2fvuB1 PRO 107 HD2 0.04 0.13 -0.18 -0.04 3.68 3.63 2fvuB1 PRO 107 HD3 -0.00 0.30 -0.37 -0.04 3.65 3.54 2fvuB1 ASP 108 H 0.06 0.05 -0.72 -0.55 8.40 7.24 2fvuB1 ASP 108 HA 0.05 0.14 0.64 -0.75 4.63 4.71 2fvuB1 ASP 108 HB2 0.05 0.00 0.03 -0.04 2.71 2.75 2fvuB1 ASP 108 HB3 0.04 0.01 0.01 -0.04 2.70 2.73 2fvuB1 LEU 109 H 0.09 0.33 0.04 -0.55 8.37 8.28 2fvuB1 LEU 109 HA 0.15 0.04 0.39 -0.75 4.35 4.18 2fvuB1 LEU 109 HB2 0.11 0.16 0.11 -0.04 1.64 1.97 2fvuB1 LEU 109 HB3 0.18 -0.03 -0.04 -0.04 1.64 1.72 2fvuB1 LEU 109 HG 0.02 -0.02 0.05 -0.04 1.64 1.65 2fvuB1 LEU 109 HD13 -0.18 -0.00 -0.03 -0.04 0.93 0.68 2fvuB1 LEU 109 HD23 0.06 -0.01 -0.04 -0.04 0.89 0.86 2fvuB1 ILE 110 H 0.15 0.21 -0.40 -0.55 8.25 7.66 2fvuB1 ILE 110 HA 0.24 0.05 0.39 -0.75 4.18 4.11 2fvuB1 ILE 110 HB 0.06 0.09 -0.00 -0.04 1.89 2.00 2fvuB1 ILE 110 HG12 0.13 0.11 -0.30 -0.04 1.49 1.40 2fvuB1 ILE 110 HG13 0.03 -0.03 -0.23 -0.04 1.21 0.94 2fvuB1 ILE 110 HG23 -0.00 -0.01 -0.09 -0.04 0.93 0.79 2fvuB1 ILE 110 HD13 -0.14 -0.02 -0.13 -0.04 0.88 0.55 2fvuB1 LYS 111 H 0.08 0.19 -0.29 -0.55 8.42 7.85 2fvuB1 LYS 111 HA 0.04 0.02 0.47 -0.75 4.32 4.09 2fvuB1 LYS 111 HB2 0.04 0.07 0.15 -0.04 1.87 2.09 2fvuB1 LYS 111 HB3 0.02 -0.08 0.05 -0.04 1.79 1.74 2fvuB1 LYS 111 HG2 0.03 0.25 0.16 -0.04 1.46 1.86 2fvuB1 LYS 111 HG3 0.02 -0.08 0.07 -0.04 1.46 1.43 2fvuB1 LYS 111 HD2 0.01 -0.06 0.04 -0.04 1.69 1.65 2fvuB1 LYS 111 HD3 0.02 0.02 0.03 -0.04 1.68 1.71 2fvuB1 LYS 111 HE2 0.01 0.04 0.02 -0.04 2.99 3.02 2fvuB1 LYS 111 HE3 0.01 -0.03 0.02 -0.04 2.99 2.95 2fvuB1 GLU 112 H 0.11 0.19 -0.42 -0.55 8.60 7.93 2fvuB1 GLU 112 HA -0.04 -0.01 0.40 -0.75 4.29 3.89 2fvuB1 GLU 112 HB2 0.17 0.16 -0.04 -0.04 2.09 2.34 2fvuB1 GLU 112 HB3 -0.17 -0.12 0.08 -0.04 1.99 1.75 2fvuB1 GLU 112 HG2 0.02 -0.06 0.00 -0.04 2.34 2.26 2fvuB1 GLU 112 HG3 0.09 0.42 0.10 -0.04 2.34 2.90 2fvuB1 ASP 113 H -0.30 0.07 0.11 -0.55 8.40 7.74 2fvuB1 ASP 113 HA -0.10 0.17 0.71 -0.75 4.63 4.65 2fvuB1 ASP 113 HB2 -0.15 -0.01 0.13 -0.04 2.71 2.64 2fvuB1 ASP 113 HB3 -0.23 -0.04 0.15 -0.04 2.70 2.53 2fvuB1 HIS 114 H 0.02 0.33 0.14 -0.55 8.41 8.36 2fvuB1 HIS 114 HA -0.25 0.14 0.74 -0.75 4.63 4.50 2fvuB1 HIS 114 HB2 -0.32 0.08 -0.09 -0.04 3.26 2.89 2fvuB1 HIS 114 HB3 -0.69 -0.07 -0.03 -0.04 3.20 2.37 2fvuB1 HIS 114 HD2 -0.16 0.35 -0.27 -0.04 6.97 6.85 2fvuB1 HIS 114 HE1 -0.52 -0.05 -0.01 -0.04 7.75 7.12 2fvuB1 PRO 115 HA 0.11 0.13 0.58 -0.51 4.44 4.75 2fvuB1 PRO 115 HB2 0.09 -0.10 0.06 -0.04 2.28 2.29 2fvuB1 PRO 115 HB3 0.06 0.11 0.12 -0.04 2.02 2.27 2fvuB1 PRO 115 HG2 0.15 -0.15 0.12 -0.04 2.03 2.11 2fvuB1 PRO 115 HG3 0.07 0.12 0.08 -0.04 2.03 2.26 2fvuB1 PRO 115 HD2 -0.03 0.17 0.26 -0.04 3.68 4.05 2fvuB1 PRO 115 HD3 -0.01 0.19 0.09 -0.04 3.65 3.88 2fvuB1 LEU 116 H 0.15 0.20 0.19 -0.55 8.37 8.37 2fvuB1 LEU 116 HA 0.38 0.11 0.33 -0.75 4.35 4.42 2fvuB1 LEU 116 HB2 0.13 0.07 0.16 -0.04 1.64 1.96 2fvuB1 LEU 116 HB3 0.11 -0.02 0.10 -0.04 1.64 1.79 2fvuB1 LEU 116 HG 0.12 -0.02 -0.13 -0.04 1.64 1.56 2fvuB1 LEU 116 HD13 0.12 0.00 0.05 -0.04 0.93 1.06 2fvuB1 LEU 116 HD23 0.05 0.02 -0.00 -0.04 0.89 0.92 2fvuB1 GLU 117 H 0.12 0.09 -0.25 -0.55 8.60 8.02 2fvuB1 GLU 117 HA 0.10 0.08 0.41 -0.75 4.29 4.13 2fvuB1 GLU 117 HB2 0.07 0.03 0.07 -0.04 2.09 2.21 2fvuB1 GLU 117 HB3 0.09 0.01 0.01 -0.04 1.99 2.05 2fvuB1 GLU 117 HG2 0.05 0.03 -0.15 -0.04 2.34 2.23 2fvuB1 GLU 117 HG3 0.04 -0.03 0.10 -0.04 2.34 2.41 2fvuB1 PHE 118 H 0.20 0.44 -0.34 -0.55 8.34 8.08 2fvuB1 PHE 118 HA -0.05 0.03 0.38 -0.75 4.62 4.22 2fvuB1 PHE 118 HB2 -0.10 -0.04 0.14 -0.04 3.15 3.11 2fvuB1 PHE 118 HB3 -0.43 0.11 0.09 -0.04 3.06 2.78 2fvuB1 PHE 118 HD2 -0.65 -0.02 -0.08 -0.04 7.28 6.49 2fvuB1 PHE 118 HE2 -0.41 0.01 -0.06 -0.04 7.38 6.88 2fvuB1 PHE 118 HZ -0.34 0.01 -0.05 -0.04 7.32 6.90 2fvuB1 TYR 119 H 0.01 0.28 -0.13 -0.55 8.29 7.90 2fvuB1 TYR 119 HA 0.16 0.04 0.26 -0.75 4.56 4.27 2fvuB1 TYR 119 HB2 0.19 0.07 -0.03 -0.04 3.06 3.25 2fvuB1 TYR 119 HB3 0.37 -0.04 -0.17 -0.04 2.98 3.09 2fvuB1 TYR 119 HD2 0.26 -0.03 -0.10 -0.04 7.15 7.24 2fvuB1 TYR 119 HE2 0.17 0.07 -0.27 -0.04 6.85 6.78 2fvuB1 LYS 120 H 0.21 0.32 -0.46 -0.55 8.42 7.94 2fvuB1 LYS 120 HA 0.20 0.01 0.41 -0.75 4.32 4.19 2fvuB1 LYS 120 HB2 0.13 0.02 0.09 -0.04 1.87 2.06 2fvuB1 LYS 120 HB3 0.10 0.08 0.19 -0.04 1.79 2.12 2fvuB1 LYS 120 HG2 0.11 0.01 -0.19 -0.04 1.46 1.35 2fvuB1 LYS 120 HG3 0.11 0.00 0.03 -0.04 1.46 1.56 2fvuB1 LYS 120 HD2 0.06 -0.03 -0.02 -0.04 1.69 1.66 2fvuB1 LYS 120 HD3 0.04 -0.02 -0.00 -0.04 1.68 1.66 2fvuB1 LYS 120 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2fvuB1 LYS 120 HE3 0.04 0.03 -0.01 -0.04 2.99 3.02 2fvuB1 ASP 121 H 0.05 0.69 0.06 -0.55 8.40 8.66 2fvuB1 ASP 121 HA 0.11 0.03 0.46 -0.75 4.63 4.48 2fvuB1 ASP 121 HB2 -0.06 0.08 0.17 -0.04 2.71 2.86 2fvuB1 ASP 121 HB3 0.00 -0.03 0.01 -0.04 2.70 2.64 2fvuB1 LYS 122 H -0.12 0.63 -0.05 -0.55 8.42 8.33 2fvuB1 LYS 122 HA -0.06 0.04 0.36 -0.75 4.32 3.90 2fvuB1 LYS 122 HB2 -0.54 0.00 0.04 -0.04 1.87 1.34 2fvuB1 LYS 122 HB3 -0.12 0.04 0.01 -0.04 1.79 1.68 2fvuB1 LYS 122 HG2 0.04 0.00 -0.25 -0.04 1.46 1.21 2fvuB1 LYS 122 HG3 -0.11 -0.01 0.01 -0.04 1.46 1.31 2fvuB1 LYS 122 HD2 -0.40 -0.01 -0.06 -0.04 1.69 1.19 2fvuB1 LYS 122 HD3 -0.39 -0.01 -0.09 -0.04 1.68 1.15 2fvuB1 LYS 122 HE2 -0.10 0.01 -0.07 -0.04 2.99 2.79 2fvuB1 LYS 122 HE3 -0.08 0.00 -0.04 -0.04 2.99 2.83 2fvuB1 PHE 123 H 0.38 0.49 -0.30 -0.55 8.34 8.35 2fvuB1 PHE 123 HA 0.16 -0.00 0.40 -0.75 4.62 4.42 2fvuB1 PHE 123 HB2 0.07 0.03 0.13 -0.04 3.15 3.33 2fvuB1 PHE 123 HB3 0.13 0.15 0.15 -0.04 3.06 3.45 2fvuB1 PHE 123 HD2 -0.22 0.03 -0.11 -0.04 7.28 6.94 2fvuB1 PHE 123 HE2 -0.80 0.07 -0.10 -0.04 7.38 6.52 2fvuB1 PHE 123 HZ -0.33 0.00 -0.04 -0.04 7.32 6.91 2fvuB1 PHE 124 H 0.40 0.45 -0.14 -0.55 8.34 8.50 2fvuB1 PHE 124 HA 0.01 0.00 0.43 -0.75 4.62 4.30 2fvuB1 PHE 124 HB2 0.26 -0.01 0.13 -0.04 3.15 3.49 2fvuB1 PHE 124 HB3 0.09 0.10 0.18 -0.04 3.06 3.40 2fvuB1 PHE 124 HD2 0.28 0.02 -0.11 -0.04 7.28 7.43 2fvuB1 PHE 124 HE2 0.19 -0.02 -0.01 -0.04 7.38 7.49 2fvuB1 PHE 124 HZ 0.06 -0.03 0.00 -0.04 7.32 7.31 2fvuB1 ASN 125 H 0.10 0.35 -0.35 -0.55 8.53 8.07 2fvuB1 ASN 125 HA -0.15 0.11 0.71 -0.75 4.76 4.68 2fvuB1 ASN 125 HB2 0.02 0.04 0.10 -0.04 2.88 3.00 2fvuB1 ASN 125 HB3 -0.02 -0.06 0.02 -0.04 2.79 2.69 2fvuB1 ASN 125 HD21 0.08 -0.08 -0.04 -0.04 7.03 6.95 2fvuB1 ASN 125 HD22 0.03 -0.03 -0.15 -0.04 7.74 7.55 2fvuB1 GLU 126 H -0.12 0.36 -0.06 -0.55 8.60 8.23 2fvuB1 GLU 126 HA -0.15 0.26 1.04 -0.75 4.29 4.68 2fvuB1 GLU 126 HB2 -0.03 -0.07 0.10 -0.04 2.09 2.04 2fvuB1 GLU 126 HB3 -0.05 -0.01 0.02 -0.04 1.99 1.91 2fvuB1 GLU 126 HG2 -0.02 0.10 0.03 -0.04 2.34 2.41 2fvuB1 GLU 126 HG3 0.05 -0.02 -0.04 -0.04 2.34 2.29 2fvuB1 VAL 127 H -0.43 0.37 -0.02 -0.55 8.24 7.61 2fvuB1 VAL 127 HA -0.33 0.02 0.54 -0.75 4.13 3.60 2fvuB1 VAL 127 HB -1.40 0.11 0.14 -0.04 2.12 0.93 2fvuB1 VAL 127 HG13 -0.70 -0.02 -0.17 -0.04 0.97 0.04 2fvuB1 VAL 127 HG23 -0.57 0.00 -0.05 -0.04 0.95 0.29 2fvuB1 ASN 128 H -0.20 0.13 0.15 -0.55 8.53 8.06 2fvuB1 ASN 128 HA -0.17 0.12 0.57 -0.75 4.76 4.52 2fvuB1 ASN 128 HB2 -0.13 0.10 0.14 -0.04 2.88 2.94 2fvuB1 ASN 128 HB3 -0.19 -0.03 0.23 -0.04 2.79 2.76 2fvuB1 ASN 128 HD21 -0.49 0.03 -0.05 -0.04 7.03 6.48 2fvuB1 ASN 128 HD22 -0.23 0.04 0.00 -0.04 7.74 7.51 2fvuB1 LYS 129 H -0.27 0.27 0.17 -0.55 8.42 8.04 2fvuB1 LYS 129 HA -0.30 0.12 0.52 -0.75 4.32 3.90 2fvuB1 LYS 129 HB2 -0.34 0.01 0.10 -0.04 1.87 1.59 2fvuB1 LYS 129 HB3 -0.56 -0.04 0.17 -0.04 1.79 1.32 2fvuB1 LYS 129 HG2 -1.47 -0.05 -0.09 -0.04 1.46 -0.18 2fvuB1 LYS 129 HG3 -0.72 0.23 0.02 -0.04 1.46 0.94 2fvuB1 LYS 129 HD2 -0.76 -0.01 0.04 -0.04 1.69 0.91 2fvuB1 LYS 129 HD3 -1.69 -0.08 0.04 -0.04 1.68 -0.10 2fvuB1 LYS 129 HE2 -1.96 -0.09 0.03 -0.04 2.99 0.92 2fvuB1 LYS 129 HE3 -1.02 0.14 0.04 -0.04 2.99 2.11 2fvuB1 SER 130 H -0.10 0.03 -0.39 -0.55 8.46 7.45 2fvuB1 SER 130 HA 0.15 0.19 0.78 -0.75 4.49 4.86 2fvuB1 SER 130 HB2 0.10 -0.01 0.01 -0.04 3.95 4.00 2fvuB1 SER 130 HB3 0.13 0.06 0.18 -0.04 3.93 4.26 2fvuB1 GLU 131 H -0.17 0.32 -0.22 -0.55 8.60 7.98 2fvuB1 GLU 131 HA -0.40 0.12 0.93 -0.75 4.29 4.18 2fvuB1 GLU 131 HB2 -0.34 -0.11 0.09 -0.04 2.09 1.69 2fvuB1 GLU 131 HB3 -0.21 0.14 0.17 -0.04 1.99 2.05 2fvuB1 GLU 131 HG2 -0.82 0.03 -0.20 -0.04 2.34 1.31 2fvuB1 GLU 131 HG3 -0.42 0.14 0.07 -0.04 2.34 2.09 2fvuB1 LEU 132 H -0.38 0.64 0.38 -0.55 8.37 8.47 2fvuB1 LEU 132 HA -0.28 0.27 0.88 -0.75 4.35 4.47 2fvuB1 LEU 132 HB2 -0.46 -0.06 -0.09 -0.04 1.64 0.99 2fvuB1 LEU 132 HB3 -0.33 -0.04 -0.08 -0.04 1.64 1.15 2fvuB1 LEU 132 HG -0.27 0.02 -0.27 -0.04 1.64 1.08 2fvuB1 LEU 132 HD13 -1.27 -0.01 -0.22 -0.04 0.93 -0.62 2fvuB1 LEU 132 HD23 -0.27 0.02 -0.20 -0.04 0.89 0.40 2fvuB1 TYR 133 H 0.14 0.48 0.22 -0.55 8.29 8.58 2fvuB1 TYR 133 HA 0.18 0.22 0.96 -0.75 4.56 5.17 2fvuB1 TYR 133 HB2 0.16 -0.06 0.03 -0.04 3.06 3.14 2fvuB1 TYR 133 HB3 0.29 0.03 -0.13 -0.04 2.98 3.13 2fvuB1 TYR 133 HD2 0.18 0.08 -0.19 -0.04 7.15 7.18 2fvuB1 TYR 133 HE2 0.02 -0.03 -0.18 -0.04 6.85 6.62 2fvuB1 LEU 134 H 0.19 0.37 0.27 -0.55 8.37 8.66 2fvuB1 LEU 134 HA -0.04 0.10 0.72 -0.75 4.35 4.38 2fvuB1 LEU 134 HB2 0.04 -0.05 0.00 -0.04 1.64 1.59 2fvuB1 LEU 134 HB3 0.00 -0.03 0.09 -0.04 1.64 1.67 2fvuB1 LEU 134 HG -0.22 0.07 -0.32 -0.04 1.64 1.13 2fvuB1 LEU 134 HD13 -0.57 -0.00 -0.10 -0.04 0.93 0.22 2fvuB1 LEU 134 HD23 -0.15 -0.02 -0.11 -0.04 0.89 0.57 2fvuB1 THR 135 H -0.10 0.60 0.39 -0.55 8.28 8.62 2fvuB1 THR 135 HA -0.05 0.38 1.04 -0.75 4.39 5.01 2fvuB1 THR 135 HB -0.02 -0.11 0.15 -0.04 4.32 4.30 2fvuB1 THR 135 HG23 0.02 0.04 -0.22 -0.04 1.22 1.02 2fvuB1 ALA 136 H -0.07 0.19 0.15 -0.55 8.40 8.13 2fvuB1 ALA 136 HA -0.31 0.18 0.63 -0.75 4.34 4.08 2fvuB1 ALA 136 HB3 -0.12 0.02 0.00 -0.04 1.41 1.27 2fvuB1 GLU 137 H 0.05 0.04 -0.24 -0.55 8.60 7.90 2fvuB1 GLU 137 HA 0.09 0.06 0.49 -0.75 4.29 4.16 2fvuB1 GLU 137 HB2 0.04 -0.03 0.12 -0.04 2.09 2.18 2fvuB1 GLU 137 HB3 0.08 -0.06 0.15 -0.04 1.99 2.12 2fvuB1 GLU 137 HG2 0.08 0.05 -0.31 -0.04 2.34 2.12 2fvuB1 GLU 137 HG3 0.06 0.02 -0.01 -0.04 2.34 2.37 2fvuB1 LEU 138 H 0.13 0.16 0.27 -0.55 8.37 8.39 2fvuB1 LEU 138 HA 0.01 0.32 0.76 -0.75 4.35 4.68 2fvuB1 LEU 138 HB2 0.12 0.08 0.06 -0.04 1.64 1.85 2fvuB1 LEU 138 HB3 0.06 -0.05 0.19 -0.04 1.64 1.80 2fvuB1 LEU 138 HG 0.14 -0.04 -0.19 -0.04 1.64 1.51 2fvuB1 LEU 138 HD13 -0.71 0.04 -0.22 -0.04 0.93 0.00 2fvuB1 LEU 138 HD23 -0.13 -0.01 -0.06 -0.04 0.89 0.65 2fvuB1 SER 139 H 0.07 0.86 0.41 -0.55 8.46 9.24 2fvuB1 SER 139 HA 0.26 0.14 0.82 -0.75 4.49 4.96 2fvuB1 SER 139 HB2 -0.07 -0.02 0.07 -0.04 3.95 3.90 2fvuB1 SER 139 HB3 0.06 -0.01 -0.28 -0.04 3.93 3.65 2fvuB1 GLU 140 H -0.60 0.15 0.17 -0.55 8.60 7.77 2fvuB1 GLU 140 HA -0.85 0.39 0.91 -0.75 4.29 3.98 2fvuB1 GLU 140 HB2 -2.43 -0.03 -0.02 -0.04 2.09 -0.43 2fvuB1 GLU 140 HB3 -0.84 -0.03 0.12 -0.04 1.99 1.21 2fvuB1 GLU 140 HG2 -0.45 0.05 -0.24 -0.04 2.34 1.66 2fvuB1 GLU 140 HG3 -0.73 -0.07 0.01 -0.04 2.34 1.51 2fvuB1 ILE 141 H -0.47 0.48 0.30 -0.55 8.25 8.01 2fvuB1 ILE 141 HA -0.29 0.21 0.94 -0.75 4.18 4.28 2fvuB1 ILE 141 HB -0.58 -0.02 -0.01 -0.04 1.89 1.24 2fvuB1 ILE 141 HG12 -0.61 0.10 -0.02 -0.04 1.49 0.92 2fvuB1 ILE 141 HG13 -0.65 -0.05 -0.31 -0.04 1.21 0.15 2fvuB1 ILE 141 HG23 -1.05 0.01 -0.23 -0.04 0.93 -0.38 2fvuB1 ILE 141 HD13 -1.64 0.00 -0.22 -0.04 0.88 -1.02 2fvuB1 TRP 142 H 0.09 0.19 0.10 -0.55 7.97 7.80 2fvuB1 TRP 142 HA -0.12 0.16 0.81 -0.75 4.62 4.71 2fvuB1 TRP 142 HB2 -0.08 0.07 0.04 -0.04 3.23 3.21 2fvuB1 TRP 142 HB3 -0.00 -0.01 0.12 -0.04 3.23 3.30 2fvuB1 TRP 142 HD1 -0.08 0.06 0.08 -0.04 7.22 7.24 2fvuB1 TRP 142 HE1 -0.02 0.06 -0.01 -0.04 10.20 10.18 2fvuB1 TRP 142 HE3 0.03 0.01 -0.05 -0.04 7.59 7.54 2fvuB1 TRP 142 HZ2 0.01 0.05 -0.01 -0.04 7.44 7.46 2fvuB1 TRP 142 HZ3 0.03 0.05 -0.06 -0.04 7.13 7.12 2fvuB1 TRP 142 HH2 0.03 0.04 -0.02 -0.04 7.19 7.20 2fvuB1 LEU 143 H -0.07 0.23 0.14 -0.55 8.37 8.12 2fvuB1 LEU 143 HA 0.10 0.08 0.25 -0.75 4.35 4.02 2fvuB1 LEU 143 HB2 -0.30 0.05 0.08 -0.04 1.64 1.43 2fvuB1 LEU 143 HB3 -0.49 -0.01 0.04 -0.04 1.64 1.13 2fvuB1 LEU 143 HG -1.70 0.02 -0.14 -0.04 1.64 -0.22 2fvuB1 LEU 143 HD13 -0.79 0.00 -0.04 -0.04 0.93 0.06 2fvuB1 LEU 143 HD23 -0.86 0.01 -0.07 -0.04 0.89 -0.08 2fvuB1 LYS 144 H -1.21 0.05 -0.30 -0.55 8.42 6.40 2fvuB1 LYS 144 HA -0.31 0.10 0.34 -0.75 4.32 3.69 2fvuB1 LYS 144 HB2 -1.42 -0.03 0.06 -0.04 1.87 0.44 2fvuB1 LYS 144 HB3 -2.06 0.00 -0.04 -0.04 1.79 -0.35 2fvuB1 LYS 144 HG2 -0.30 0.06 0.02 -0.04 1.46 1.19 2fvuB1 LYS 144 HG3 -0.28 -0.01 0.07 -0.04 1.46 1.21 2fvuB1 LYS 144 HD2 -0.11 0.01 0.01 -0.04 1.69 1.55 2fvuB1 LYS 144 HD3 -0.59 -0.02 -0.00 -0.04 1.68 1.03 2fvuB1 LYS 144 HE2 -0.01 -0.02 -0.07 -0.04 2.99 2.85 2fvuB1 LYS 144 HE3 0.00 0.03 -0.04 -0.04 2.99 2.94 2fvuB1 ASP 145 H -0.02 0.42 -0.35 -0.55 8.40 7.89 2fvuB1 ASP 145 HA 0.07 0.18 0.63 -0.75 4.63 4.76 2fvuB1 ASP 145 HB2 0.40 0.08 0.08 -0.04 2.71 3.23 2fvuB1 ASP 145 HB3 0.27 -0.11 0.22 -0.04 2.70 3.03 2fvuB1 PHE 146 H 0.00 0.36 -0.43 -0.55 8.34 7.72 2fvuB1 PHE 146 HA -1.48 -0.05 0.37 -0.75 4.62 2.71 2fvuB1 PHE 146 HB2 -0.53 -0.00 0.07 -0.04 3.15 2.65 2fvuB1 PHE 146 HB3 -0.05 0.03 0.04 -0.04 3.06 3.04 2fvuB1 PHE 146 HD2 -0.30 -0.00 -0.23 -0.04 7.28 6.71 2fvuB1 PHE 146 HE2 -0.04 0.01 -0.24 -0.04 7.38 7.07 2fvuB1 PHE 146 HZ 0.17 -0.05 -0.16 -0.04 7.32 7.23 2fvuB1 ILE 147 H -1.20 0.31 0.38 -0.55 8.25 7.20 2fvuB1 ILE 147 HA -0.28 0.18 0.97 -0.75 4.18 4.29 2fvuB1 ILE 147 HB -0.29 0.16 0.04 -0.04 1.89 1.76 2fvuB1 ILE 147 HG12 -0.07 0.01 -0.06 -0.04 1.49 1.34 2fvuB1 ILE 147 HG13 -0.11 0.10 -0.28 -0.04 1.21 0.88 2fvuB1 ILE 147 HG23 -0.17 -0.02 -0.17 -0.04 0.93 0.53 2fvuB1 ILE 147 HD13 0.04 -0.02 -0.22 -0.04 0.88 0.64 2fvuB1 ALA 148 H -0.87 0.43 0.39 -0.55 8.40 7.80 2fvuB1 ALA 148 HA -0.35 0.06 0.52 -0.75 4.34 3.81 2fvuB1 ALA 148 HB3 -0.14 0.08 -0.08 -0.04 1.41 1.22 2fvuB1 VAL 149 H 0.13 0.20 0.18 -0.55 8.24 8.19 2fvuB1 VAL 149 HA 0.08 0.01 0.75 -0.75 4.13 4.22 2fvuB1 VAL 149 HB 0.18 -0.00 0.21 -0.04 2.12 2.47 2fvuB1 VAL 149 HG13 0.17 0.06 -0.00 -0.04 0.97 1.15 2fvuB1 VAL 149 HG23 0.40 -0.00 -0.01 -0.04 0.95 1.29 2fvuB1 GLY 150 H 0.10 0.40 0.39 -0.55 8.43 8.77 2fvuB1 GLY 150 HA2 0.10 0.15 0.80 -0.51 4.01 4.55 2fvuB1 GLY 150 HA3 0.22 -0.03 0.36 -0.51 4.01 4.05 2fvuB1 GLN 151 H 0.19 0.71 0.37 -0.55 8.47 9.20 2fvuB1 GLN 151 HA 0.15 0.08 0.80 -0.75 4.36 4.64 2fvuB1 GLN 151 HB2 0.11 0.09 -0.07 -0.04 2.15 2.24 2fvuB1 GLN 151 HB3 0.09 -0.02 0.03 -0.04 2.02 2.08 2fvuB1 GLN 151 HG2 0.16 -0.07 -0.45 -0.04 2.40 1.99 2fvuB1 GLN 151 HG3 0.17 -0.01 0.06 -0.04 2.39 2.57 2fvuB1 GLN 151 HE21 0.08 -0.03 -0.01 -0.04 6.97 6.97 2fvuB1 GLN 151 HE22 0.14 0.02 0.03 -0.04 7.69 7.83 2fvuB1 ILE 152 H 0.16 0.18 0.18 -0.55 8.25 8.22 2fvuB1 ILE 152 HA 0.14 0.20 0.82 -0.75 4.18 4.59 2fvuB1 ILE 152 HB -0.04 -0.01 0.09 -0.04 1.89 1.89 2fvuB1 ILE 152 HG12 0.07 -0.02 -0.04 -0.04 1.49 1.46 2fvuB1 ILE 152 HG13 -0.00 0.00 -0.09 -0.04 1.21 1.08 2fvuB1 ILE 152 HG23 -0.17 -0.01 -0.12 -0.04 0.93 0.59 2fvuB1 ILE 152 HD13 -0.11 0.02 -0.28 -0.04 0.88 0.47 2fvuB1 LEU 153 H 0.22 0.71 0.38 -0.55 8.37 9.13 2fvuB1 LEU 153 HA 0.37 0.25 1.07 -0.75 4.35 5.28 2fvuB1 LEU 153 HB2 0.51 0.01 -0.02 -0.04 1.64 2.09 2fvuB1 LEU 153 HB3 0.28 -0.01 -0.05 -0.04 1.64 1.81 2fvuB1 LEU 153 HG 0.22 -0.01 -0.25 -0.04 1.64 1.56 2fvuB1 LEU 153 HD13 0.08 -0.00 -0.15 -0.04 0.93 0.82 2fvuB1 LEU 153 HD23 0.13 0.04 -0.09 -0.04 0.89 0.93 2fvuB1 PRO 154 HA 0.39 0.08 0.55 -0.51 4.44 4.94 2fvuB1 PRO 154 HB2 0.04 -0.18 0.15 -0.04 2.28 2.25 2fvuB1 PRO 154 HB3 0.01 0.07 0.16 -0.04 2.02 2.22 2fvuB1 PRO 154 HG2 -0.23 0.10 0.12 -0.04 2.03 1.97 2fvuB1 PRO 154 HG3 -0.76 0.07 0.10 -0.04 2.03 1.40 2fvuB1 PRO 154 HD2 0.09 0.07 0.24 -0.04 3.68 4.03 2fvuB1 PRO 154 HD3 0.20 0.29 0.29 -0.04 3.65 4.39 2fvuB1 GLU 155 H 0.12 0.20 0.24 -0.55 8.60 8.62 2fvuB1 GLU 155 HA 0.11 0.09 0.33 -0.75 4.29 4.06 2fvuB1 GLU 155 HB2 0.02 0.01 0.19 -0.04 2.09 2.27 2fvuB1 GLU 155 HB3 0.04 0.03 0.01 -0.04 1.99 2.03 2fvuB1 GLU 155 HG2 0.04 0.03 0.02 -0.04 2.34 2.40 2fvuB1 GLU 155 HG3 -0.04 -0.01 0.06 -0.04 2.34 2.30 2fvuB1 SER 156 H 0.08 -0.06 -0.58 -0.55 8.46 7.36 2fvuB1 SER 156 HA 0.06 0.11 0.33 -0.75 4.49 4.23 2fvuB1 SER 156 HB2 0.02 -0.05 0.03 -0.04 3.95 3.92 2fvuB1 SER 156 HB3 0.02 0.06 -0.02 -0.04 3.93 3.95 2fvuB1 GLN 157 H 0.08 0.13 -0.05 -0.55 8.47 8.09 2fvuB1 GLN 157 HA 0.02 0.06 0.45 -0.75 4.36 4.13 2fvuB1 GLN 157 HB2 0.10 0.04 0.01 -0.04 2.15 2.26 2fvuB1 GLN 157 HB3 0.01 0.02 0.02 -0.04 2.02 2.04 2fvuB1 GLN 157 HG2 0.02 -0.11 0.12 -0.04 2.40 2.40 2fvuB1 GLN 157 HG3 0.01 0.04 0.06 -0.04 2.39 2.46 2fvuB1 GLN 157 HE21 -0.02 0.04 -0.05 -0.04 6.97 6.90 2fvuB1 GLN 157 HE22 -0.02 -0.07 -0.01 -0.04 7.69 7.54 2fvuB1 TRP 158 H 0.28 0.44 -0.29 -0.55 7.97 7.86 2fvuB1 TRP 158 HA -0.02 0.02 0.23 -0.75 4.62 4.10 2fvuB1 TRP 158 HB2 0.00 -0.02 -0.10 -0.04 3.23 3.07 2fvuB1 TRP 158 HB3 -0.01 0.13 -0.03 -0.04 3.23 3.28 2fvuB1 TRP 158 HD1 -0.03 0.04 -0.18 -0.04 7.22 7.01 2fvuB1 TRP 158 HE1 -0.06 -0.01 -0.04 -0.04 10.20 10.05 2fvuB1 TRP 158 HE3 -0.01 0.00 -0.21 -0.04 7.59 7.33 2fvuB1 TRP 158 HZ2 -0.08 -0.05 -0.06 -0.04 7.44 7.22 2fvuB1 TRP 158 HZ3 -0.10 -0.06 -0.57 -0.04 7.13 6.36 2fvuB1 TRP 158 HH2 -0.15 0.15 -0.09 -0.04 7.19 7.06 2fvuB1 ASN 159 H 0.11 0.27 -0.68 -0.55 8.53 7.68 2fvuB1 ASN 159 HA -0.02 0.15 0.76 -0.75 4.76 4.89 2fvuB1 ASN 159 HB2 0.07 0.08 0.08 -0.04 2.88 3.06 2fvuB1 ASN 159 HB3 0.04 -0.06 0.17 -0.04 2.79 2.90 2fvuB1 ASN 159 HD21 0.14 -0.08 -0.03 -0.04 7.03 7.01 2fvuB1 ASN 159 HD22 0.11 0.08 0.01 -0.04 7.74 7.89 2fvuB1 ASP 160 H -0.08 0.68 -0.22 -0.55 8.40 8.23 2fvuB1 ASP 160 HA -0.03 0.05 0.81 -0.75 4.63 4.70 2fvuB1 ASP 160 HB2 -0.02 0.02 0.15 -0.04 2.71 2.82 2fvuB1 ASP 160 HB3 -0.06 0.08 0.14 -0.04 2.70 2.83 2fvuB1 SER 161 H -0.04 0.13 0.19 -0.55 8.46 8.19 2fvuB1 SER 161 HA -0.08 0.21 0.55 -0.75 4.49 4.41 2fvuB1 SER 161 HB2 -0.04 -0.04 0.08 -0.04 3.95 3.92 2fvuB1 SER 161 HB3 -0.05 0.02 0.04 -0.04 3.93 3.90 2fvuB1 SER 162 H -0.04 0.04 -0.04 -0.55 8.46 7.87 2fvuB1 SER 162 HA -0.04 0.10 0.36 -0.75 4.49 4.16 2fvuB1 SER 162 HB2 -0.03 0.02 0.13 -0.04 3.95 4.03 2fvuB1 SER 162 HB3 -0.03 -0.03 0.10 -0.04 3.93 3.93 2fvuB1 ILE 163 H -0.08 0.20 -1.20 -0.55 8.25 6.62 2fvuB1 ILE 163 HA -0.06 0.11 0.79 -0.75 4.18 4.27 2fvuB1 ILE 163 HB -0.09 0.12 -0.01 -0.04 1.89 1.87 2fvuB1 ILE 163 HG12 -0.04 0.09 -0.16 -0.04 1.49 1.34 2fvuB1 ILE 163 HG13 -0.04 -0.19 -0.71 -0.04 1.21 0.23 2fvuB1 ILE 163 HG23 -0.08 -0.02 -0.24 -0.04 0.93 0.55 2fvuB1 ILE 163 HD13 -0.02 -0.01 -0.07 -0.04 0.88 0.74 2fvuB1 ASP 164 H -0.08 0.14 0.00 -0.55 8.40 7.91 2fvuB1 ASP 164 HA -0.14 0.12 0.62 -0.75 4.63 4.48 2fvuB1 ASP 164 HB2 -0.08 -0.04 0.14 -0.04 2.71 2.69 2fvuB1 ASP 164 HB3 -0.09 0.04 -0.00 -0.04 2.70 2.61 2fvuB1 LYS 165 H -0.27 0.23 0.19 -0.55 8.42 8.01 2fvuB1 LYS 165 HA -0.23 0.04 0.44 -0.75 4.32 3.82 2fvuB1 LYS 165 HB2 -0.57 -0.02 0.01 -0.04 1.87 1.25 2fvuB1 LYS 165 HB3 -0.65 -0.04 -0.03 -0.04 1.79 1.03 2fvuB1 LYS 165 HG2 -1.46 -0.03 -0.02 -0.04 1.46 -0.09 2fvuB1 LYS 165 HG3 -0.48 -0.03 -0.12 -0.04 1.46 0.79 2fvuB1 LYS 165 HD2 -0.36 -0.01 0.26 -0.04 1.69 1.54 2fvuB1 LYS 165 HD3 -0.60 -0.08 0.10 -0.04 1.68 1.05 2fvuB1 LYS 165 HE2 -0.32 0.01 0.06 -0.04 2.99 2.71 2fvuB1 LYS 165 HE3 -0.64 0.26 0.08 -0.04 2.99 2.66 2fvuB1 ILE 166 H -0.16 0.13 0.14 -0.55 8.25 7.82 2fvuB1 ILE 166 HA -0.11 0.17 0.92 -0.75 4.18 4.41 2fvuB1 ILE 166 HB -0.09 -0.06 0.08 -0.04 1.89 1.77 2fvuB1 ILE 166 HG12 -0.07 0.03 -0.10 -0.04 1.49 1.30 2fvuB1 ILE 166 HG13 -0.09 0.09 -0.24 -0.04 1.21 0.93 2fvuB1 ILE 166 HG23 -0.07 0.03 -0.17 -0.04 0.93 0.68 2fvuB1 ILE 166 HD13 -0.05 0.00 -0.04 -0.04 0.88 0.75 2fvuB1 GLU 167 H -0.08 0.19 0.12 -0.55 8.60 8.28 2fvuB1 GLU 167 HA -0.05 0.02 0.45 -0.75 4.29 3.95 2fvuB1 GLU 167 HB2 -0.03 0.03 0.13 -0.04 2.09 2.18 2fvuB1 GLU 167 HB3 -0.02 0.02 0.13 -0.04 1.99 2.08 2fvuB1 GLU 167 HG2 0.05 0.03 -0.15 -0.04 2.34 2.23 2fvuB1 GLU 167 HG3 0.03 -0.02 0.03 -0.04 2.34 2.33 2fvuB1 ASP 168 H -0.11 0.16 0.23 -0.55 8.40 8.14 2fvuB1 ASP 168 HA 0.08 0.02 0.30 -0.75 4.63 4.27 2fvuB1 ASP 168 HB2 -0.03 0.29 0.20 -0.04 2.71 3.13 2fvuB1 ASP 168 HB3 -0.14 -0.03 0.17 -0.04 2.70 2.67 2fvuB1 ARG 169 H -0.40 0.14 -0.01 -0.55 8.46 7.64 2fvuB1 ARG 169 HA -0.05 0.09 0.61 -0.75 4.34 4.24 2fvuB1 ARG 169 HB2 -0.11 0.02 -0.22 -0.04 1.90 1.55 2fvuB1 ARG 169 HB3 -0.06 -0.03 -0.04 -0.04 1.80 1.63 2fvuB1 ARG 169 HG2 -0.03 0.01 -0.03 -0.04 1.67 1.58 2fvuB1 ARG 169 HG3 -0.08 0.20 0.05 -0.04 1.67 1.81 2fvuB1 ARG 169 HD2 -0.08 0.05 -0.24 -0.04 3.22 2.90 2fvuB1 ARG 169 HD3 -0.05 -0.04 -0.09 -0.04 3.22 3.00 2fvuB1 ASP 170 H -0.37 0.38 0.30 -0.55 8.40 8.17 2fvuB1 ASP 170 HA -0.03 0.32 1.01 -0.75 4.63 5.18 2fvuB1 ASP 170 HB2 -0.11 -0.03 0.17 -0.04 2.71 2.70 2fvuB1 ASP 170 HB3 0.11 0.02 0.02 -0.04 2.70 2.81 2fvuB1 PHE 171 H 0.21 0.55 0.38 -0.55 8.34 8.93 2fvuB1 PHE 171 HA -0.06 0.26 0.96 -0.75 4.62 5.02 2fvuB1 PHE 171 HB2 -0.18 -0.09 -0.10 -0.04 3.15 2.74 2fvuB1 PHE 171 HB3 -0.23 0.08 0.03 -0.04 3.06 2.90 2fvuB1 PHE 171 HD2 -0.04 0.07 -0.20 -0.04 7.28 7.07 2fvuB1 PHE 171 HE2 0.08 0.02 -0.21 -0.04 7.38 7.23 2fvuB1 PHE 171 HZ -0.08 0.15 -0.39 -0.04 7.32 6.96 2fvuB1 LEU 172 H -0.46 0.62 0.33 -0.55 8.37 8.31 2fvuB1 LEU 172 HA -0.21 0.21 0.94 -0.75 4.35 4.54 2fvuB1 LEU 172 HB2 -1.29 0.04 -0.03 -0.04 1.64 0.31 2fvuB1 LEU 172 HB3 -0.92 -0.02 0.05 -0.04 1.64 0.70 2fvuB1 LEU 172 HG -0.32 -0.03 -0.33 -0.04 1.64 0.92 2fvuB1 LEU 172 HD13 -0.16 0.03 -0.00 -0.04 0.93 0.76 2fvuB1 LEU 172 HD23 -0.47 0.00 -0.05 -0.04 0.89 0.34 2fvuB1 VAL 173 H -0.14 0.27 0.18 -0.55 8.24 8.00 2fvuB1 VAL 173 HA -0.21 0.32 1.06 -0.75 4.13 4.55 2fvuB1 VAL 173 HB -0.14 -0.07 0.07 -0.04 2.12 1.94 2fvuB1 VAL 173 HG13 0.01 0.02 -0.17 -0.04 0.97 0.79 2fvuB1 VAL 173 HG23 -0.18 0.01 -0.32 -0.04 0.95 0.42 2fvuB1 ARG 174 H -0.13 0.17 0.26 -0.55 8.46 8.20 2fvuB1 ARG 174 HA -0.21 0.19 1.05 -0.75 4.34 4.62 2fvuB1 ARG 174 HB2 -0.40 0.04 0.06 -0.04 1.90 1.56 2fvuB1 ARG 174 HB3 -0.69 0.03 0.11 -0.04 1.80 1.20 2fvuB1 ARG 174 HG2 -0.17 -0.00 0.02 -0.04 1.67 1.47 2fvuB1 ARG 174 HG3 -0.18 -0.12 -0.36 -0.04 1.67 0.96 2fvuB1 ARG 174 HD2 -0.12 -0.01 -0.03 -0.04 3.22 3.02 2fvuB1 ARG 174 HD3 -0.12 0.02 -0.04 -0.04 3.22 3.04 2fvuB1 TYR 175 H 0.13 0.08 0.27 -0.55 8.29 8.22 2fvuB1 TYR 175 HA 0.12 0.32 1.10 -0.75 4.56 5.35 2fvuB1 TYR 175 HB2 0.47 -0.03 -0.08 -0.04 3.06 3.37 2fvuB1 TYR 175 HB3 0.35 0.05 -0.05 -0.04 2.98 3.29 2fvuB1 TYR 175 HD2 0.18 -0.01 -0.29 -0.04 7.15 7.00 2fvuB1 TYR 175 HE2 0.05 0.02 -0.07 -0.04 6.85 6.81 2fvuB1 ALA 176 H 0.26 0.67 0.38 -0.55 8.40 9.17 2fvuB1 ALA 176 HA 0.15 0.19 0.97 -0.75 4.34 4.90 2fvuB1 ALA 176 HB3 0.01 -0.01 0.06 -0.04 1.41 1.43 2fvuB1 CYS 177 H 0.03 0.64 0.34 -0.55 8.50 8.96 2fvuB1 CYS 177 HA -0.10 0.23 0.64 -0.75 4.58 4.60 2fvuB1 CYS 177 HB2 -0.40 -0.11 0.21 -0.04 2.97 2.63 2fvuB1 CYS 177 HB3 -0.28 0.06 -0.07 -0.04 2.97 2.64 2fvuB1 GLU 178 H -0.16 0.13 0.23 -0.55 8.60 8.26 2fvuB1 GLU 178 HA -0.07 0.11 0.63 -0.75 4.29 4.21 2fvuB1 GLU 178 HB2 -0.10 -0.21 0.08 -0.04 2.09 1.82 2fvuB1 GLU 178 HB3 -0.07 0.06 0.15 -0.04 1.99 2.09 2fvuB1 GLU 178 HG2 -0.11 0.05 0.13 -0.04 2.34 2.37 2fvuB1 GLU 178 HG3 -0.09 0.01 0.06 -0.04 2.34 2.28 2fvuB1 PRO 179 HA -0.03 0.15 0.36 -0.51 4.44 4.41 2fvuB1 PRO 179 HB2 -0.02 0.08 0.03 -0.04 2.28 2.33 2fvuB1 PRO 179 HB3 -0.01 0.02 0.11 -0.04 2.02 2.10 2fvuB1 PRO 179 HG2 -0.03 0.05 0.06 -0.04 2.03 2.07 2fvuB1 PRO 179 HG3 -0.01 0.05 0.08 -0.04 2.03 2.11 2fvuB1 PRO 179 HD2 -0.04 0.10 0.25 -0.04 3.68 3.96 2fvuB1 PRO 179 HD3 -0.02 0.05 0.21 -0.04 3.65 3.85 2fvuB1 THR 180 H -0.07 -0.02 -0.55 -0.55 8.28 7.09 2fvuB1 THR 180 HA -0.06 0.20 0.57 -0.75 4.39 4.34 2fvuB1 THR 180 HB -0.07 0.04 0.05 -0.04 4.32 4.30 2fvuB1 THR 180 HG23 -0.04 0.00 -0.04 -0.04 1.22 1.10 2fvuB1 ALA 181 H -0.14 0.53 -0.27 -0.55 8.40 7.97 2fvuB1 ALA 181 HA -0.36 0.03 0.25 -0.75 4.34 3.51 2fvuB1 ALA 181 HB3 -0.10 0.04 -0.07 -0.04 1.41 1.24 2fvuB1 GLU 182 H -0.23 -0.03 -0.09 -0.55 8.60 7.70 2fvuB1 GLU 182 HA -0.15 0.20 0.75 -0.75 4.29 4.33 2fvuB1 GLU 182 HB2 -0.13 -0.06 0.03 -0.04 2.09 1.89 2fvuB1 GLU 182 HB3 -0.11 0.03 0.01 -0.04 1.99 1.88 2fvuB1 GLU 182 HG2 -0.08 0.00 -0.02 -0.04 2.34 2.20 2fvuB1 GLU 182 HG3 -0.10 0.14 -0.25 -0.04 2.34 2.08 2fvuB1 LYS 183 H -0.37 0.07 0.08 -0.55 8.42 7.64 2fvuB1 LYS 183 HA -0.20 0.19 0.76 -0.75 4.32 4.32 2fvuB1 LYS 183 HB2 -0.15 -0.06 0.03 -0.04 1.87 1.65 2fvuB1 LYS 183 HB3 -0.12 0.11 -0.04 -0.04 1.79 1.70 2fvuB1 LYS 183 HG2 -0.10 0.08 -0.00 -0.04 1.46 1.40 2fvuB1 LYS 183 HG3 -0.12 -0.10 -0.33 -0.04 1.46 0.87 2fvuB1 LYS 183 HD2 -0.08 -0.02 -0.04 -0.04 1.69 1.51 2fvuB1 LYS 183 HD3 -0.07 0.06 -0.03 -0.04 1.68 1.60 2fvuB1 LYS 183 HE2 -0.06 0.02 -0.02 -0.04 2.99 2.89 2fvuB1 LYS 183 HE3 -0.07 -0.05 -0.04 -0.04 2.99 2.80 2fvuB1 PHE 184 H -0.01 0.21 0.13 -0.55 8.34 8.13 2fvuB1 PHE 184 HA 0.04 0.30 1.04 -0.75 4.62 5.25 2fvuB1 PHE 184 HB2 -0.15 -0.00 0.05 -0.04 3.15 3.01 2fvuB1 PHE 184 HB3 -0.03 -0.03 -0.07 -0.04 3.06 2.90 2fvuB1 PHE 184 HD2 -0.00 0.01 -0.16 -0.04 7.28 7.09 2fvuB1 PHE 184 HE2 -0.15 0.01 -0.22 -0.04 7.38 6.97 2fvuB1 PHE 184 HZ -0.09 -0.02 -0.13 -0.04 7.32 7.04 2fvuB1 VAL 185 H 0.23 0.72 0.34 -0.55 8.24 8.99 2fvuB1 VAL 185 HA 0.15 0.21 0.92 -0.75 4.13 4.66 2fvuB1 VAL 185 HB 0.06 -0.15 0.03 -0.04 2.12 2.02 2fvuB1 VAL 185 HG13 0.03 0.06 -0.17 -0.04 0.97 0.85 2fvuB1 VAL 185 HG23 -0.00 0.05 -0.17 -0.04 0.95 0.79 2fvuB1 PRO 186 HA -0.02 0.20 0.62 -0.51 4.44 4.73 2fvuB1 PRO 186 HB2 0.06 -0.02 0.10 -0.04 2.28 2.39 2fvuB1 PRO 186 HB3 0.02 0.01 0.12 -0.04 2.02 2.14 2fvuB1 PRO 186 HG2 0.16 0.03 0.10 -0.04 2.03 2.28 2fvuB1 PRO 186 HG3 0.42 0.03 0.06 -0.04 2.03 2.50 2fvuB1 PRO 186 HD2 0.12 0.10 0.23 -0.04 3.68 4.09 2fvuB1 PRO 186 HD3 0.22 0.28 0.27 -0.04 3.65 4.39 2fvuB1 ILE 187 H -0.08 0.66 0.39 -0.55 8.25 8.68 2fvuB1 ILE 187 HA 0.01 0.21 0.80 -0.75 4.18 4.45 2fvuB1 ILE 187 HB -0.00 -0.09 -0.11 -0.04 1.89 1.65 2fvuB1 ILE 187 HG12 0.01 0.07 -0.37 -0.04 1.49 1.15 2fvuB1 ILE 187 HG13 -0.03 -0.13 -0.52 -0.04 1.21 0.49 2fvuB1 ILE 187 HG23 0.01 0.07 -0.28 -0.04 0.93 0.70 2fvuB1 ILE 187 HD13 0.01 -0.00 -0.30 -0.04 0.88 0.55 2fvuB1 ASP 188 H 0.04 0.26 0.03 -0.55 8.40 8.19 2fvuB1 ASP 188 HA 0.05 0.17 0.83 -0.75 4.63 4.94 2fvuB1 ASP 188 HB2 0.06 0.12 0.05 -0.04 2.71 2.91 2fvuB1 ASP 188 HB3 0.09 0.00 0.22 -0.04 2.70 2.97 2fvuB1 ILE 189 H -0.05 0.35 -0.01 -0.55 8.25 7.99 2fvuB1 ILE 189 HA -0.05 0.09 0.32 -0.75 4.18 3.79 2fvuB1 ILE 189 HB -0.12 0.08 -0.03 -0.04 1.89 1.78 2fvuB1 ILE 189 HG12 -0.13 0.03 -0.09 -0.04 1.49 1.25 2fvuB1 ILE 189 HG13 -0.28 0.01 -0.22 -0.04 1.21 0.68 2fvuB1 ILE 189 HG23 -0.67 0.01 0.02 -0.04 0.93 0.25 2fvuB1 ILE 189 HD13 0.02 -0.00 -0.04 -0.04 0.88 0.81 2fvuB1 PHE 190 H -0.01 0.11 -0.13 -0.55 8.34 7.76 2fvuB1 PHE 190 HA 0.07 0.14 0.44 -0.75 4.62 4.52 2fvuB1 PHE 190 HB2 0.04 -0.02 0.05 -0.04 3.15 3.19 2fvuB1 PHE 190 HB3 0.05 0.08 0.06 -0.04 3.06 3.21 2fvuB1 PHE 190 HD2 0.05 0.00 0.05 -0.04 7.28 7.34 2fvuB1 PHE 190 HE2 0.06 0.05 -0.02 -0.04 7.38 7.42 2fvuB1 PHE 190 HZ 0.07 -0.04 -0.39 -0.04 7.32 6.92 2fvuB1 GLN 191 H 0.15 0.14 -0.37 -0.55 8.47 7.85 2fvuB1 GLN 191 HA 0.10 0.08 0.44 -0.75 4.36 4.23 2fvuB1 GLN 191 HB2 0.11 -0.05 0.10 -0.04 2.15 2.27 2fvuB1 GLN 191 HB3 0.13 0.14 0.13 -0.04 2.02 2.38 2fvuB1 GLN 191 HG2 0.07 0.01 -0.14 -0.04 2.40 2.29 2fvuB1 GLN 191 HG3 0.05 -0.00 0.05 -0.04 2.39 2.45 2fvuB1 GLN 191 HE21 0.11 0.02 -0.01 -0.04 6.97 7.05 2fvuB1 GLN 191 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 2fvuB1 ILE 192 H 0.09 0.32 -0.14 -0.55 8.25 7.97 2fvuB1 ILE 192 HA 0.18 0.03 0.40 -0.75 4.18 4.04 2fvuB1 ILE 192 HB 0.03 0.10 0.15 -0.04 1.89 2.13 2fvuB1 ILE 192 HG12 0.17 0.01 -0.03 -0.04 1.49 1.60 2fvuB1 ILE 192 HG13 0.13 0.02 0.01 -0.04 1.21 1.33 2fvuB1 ILE 192 HG23 0.03 0.00 -0.18 -0.04 0.93 0.74 2fvuB1 ILE 192 HD13 -0.03 -0.02 -0.12 -0.04 0.88 0.67 2fvuB1 ILE 193 H 0.06 0.46 -0.16 -0.55 8.25 8.06 2fvuB1 ILE 193 HA 0.10 0.04 0.45 -0.75 4.18 4.01 2fvuB1 ILE 193 HB 0.12 0.03 0.19 -0.04 1.89 2.19 2fvuB1 ILE 193 HG12 0.09 0.06 0.05 -0.04 1.49 1.65 2fvuB1 ILE 193 HG13 0.00 0.07 0.03 -0.04 1.21 1.27 2fvuB1 ILE 193 HG23 0.13 0.02 -0.03 -0.04 0.93 1.01 2fvuB1 ILE 193 HD13 0.00 -0.03 -0.01 -0.04 0.88 0.79 2fvuB1 ARG 194 H 0.09 0.42 -0.18 -0.55 8.46 8.24 2fvuB1 ARG 194 HA 0.07 0.05 0.44 -0.75 4.34 4.15 2fvuB1 ARG 194 HB2 0.04 0.08 0.17 -0.04 1.90 2.15 2fvuB1 ARG 194 HB3 0.04 -0.03 0.03 -0.04 1.80 1.79 2fvuB1 ARG 194 HG2 0.08 -0.01 0.04 -0.04 1.67 1.74 2fvuB1 ARG 194 HG3 0.12 0.13 0.12 -0.04 1.67 2.00 2fvuB1 ARG 194 HD2 0.07 -0.04 0.00 -0.04 3.22 3.22 2fvuB1 ARG 194 HD3 0.05 -0.01 0.00 -0.04 3.22 3.22 2fvuB1 ARG 195 H -0.00 0.49 -0.12 -0.55 8.46 8.27 2fvuB1 ARG 195 HA -0.08 -0.00 0.41 -0.75 4.34 3.92 2fvuB1 ARG 195 HB2 -0.05 0.13 0.14 -0.04 1.90 2.08 2fvuB1 ARG 195 HB3 -0.18 -0.07 0.02 -0.04 1.80 1.52 2fvuB1 ARG 195 HG2 -0.38 0.06 -0.02 -0.04 1.67 1.29 2fvuB1 ARG 195 HG3 -1.20 -0.04 0.00 -0.04 1.67 0.39 2fvuB1 ARG 195 HD2 -0.13 -0.01 -0.01 -0.04 3.22 3.03 2fvuB1 ARG 195 HD3 -0.29 -0.04 -0.01 -0.04 3.22 2.84 2fvuB1 VAL 196 H 0.08 0.45 -0.23 -0.55 8.24 7.99 2fvuB1 VAL 196 HA 0.15 -0.03 0.45 -0.75 4.13 3.95 2fvuB1 VAL 196 HB 0.15 0.13 0.19 -0.04 2.12 2.54 2fvuB1 VAL 196 HG13 0.19 0.02 -0.03 -0.04 0.97 1.10 2fvuB1 VAL 196 HG23 0.29 0.01 0.01 -0.04 0.95 1.22 2fvuB1 LYS 197 H 0.07 0.45 -0.05 -0.55 8.42 8.34 2fvuB1 LYS 197 HA 0.04 0.01 0.40 -0.75 4.32 4.01 2fvuB1 LYS 197 HB2 0.06 0.02 0.12 -0.04 1.87 2.03 2fvuB1 LYS 197 HB3 0.06 -0.04 0.01 -0.04 1.79 1.78 2fvuB1 LYS 197 HG2 0.09 0.12 -0.08 -0.04 1.46 1.55 2fvuB1 LYS 197 HG3 0.10 0.05 0.02 -0.04 1.46 1.59 2fvuB1 LYS 197 HD2 0.10 -0.06 -0.05 -0.04 1.69 1.63 2fvuB1 LYS 197 HD3 0.11 -0.04 -0.02 -0.04 1.68 1.69 2fvuB1 LYS 197 HE2 0.14 0.15 -0.00 -0.04 2.99 3.24 2fvuB1 LYS 197 HE3 0.13 0.00 -0.04 -0.04 2.99 3.04 2fvuB1 GLU 198 H 0.03 0.32 -0.32 -0.55 8.60 8.08 2fvuB1 GLU 198 HA 0.01 0.16 0.83 -0.75 4.29 4.54 2fvuB1 GLU 198 HB2 -0.00 0.06 0.13 -0.04 2.09 2.23 2fvuB1 GLU 198 HB3 -0.00 -0.11 -0.02 -0.04 1.99 1.82 2fvuB1 GLU 198 HG2 0.02 -0.03 -0.02 -0.04 2.34 2.27 2fvuB1 GLU 198 HG3 0.03 -0.02 -0.10 -0.04 2.34 2.21 2fvuB1 MET 199 H 0.01 0.81 0.18 -0.55 8.47 8.91 2fvuB1 MET 199 HA -0.00 0.03 0.58 -0.75 4.52 4.37 2fvuB1 MET 199 HB2 0.03 0.08 0.04 -0.04 2.15 2.26 2fvuB1 MET 199 HB3 0.02 -0.19 0.09 -0.04 2.03 1.91 2fvuB1 MET 199 HG2 -0.03 -0.04 0.01 -0.04 2.63 2.52 2fvuB1 MET 199 HG3 -0.05 0.04 0.12 -0.04 2.56 2.64 2fvuB1 MET 199 HE3 -0.18 -0.01 -0.02 -0.04 2.10 1.85 2fvuB1 GLU 200 H 0.01 0.01 0.19 -0.55 8.60 8.26 2fvuB1 GLU 200 HA -0.02 0.25 0.55 -0.75 4.29 4.32 2fvuB1 GLU 200 HB2 0.00 -0.13 0.17 -0.04 2.09 2.09 2fvuB1 GLU 200 HB3 -0.01 -0.06 0.10 -0.04 1.99 1.99 2fvuB1 GLU 200 HG2 -0.01 0.09 0.09 -0.04 2.34 2.48 2fvuB1 GLU 200 HG3 -0.01 -0.03 0.08 -0.04 2.34 2.35 2fvuB1 PRO 201 HA -0.10 0.17 0.39 -0.51 4.44 4.39 2fvuB1 PRO 201 HB2 -0.06 -0.09 0.11 -0.04 2.28 2.20 2fvuB1 PRO 201 HB3 -0.22 0.04 0.05 -0.04 2.02 1.85 2fvuB1 PRO 201 HG2 -0.11 0.02 0.11 -0.04 2.03 2.01 2fvuB1 PRO 201 HG3 -0.18 0.16 0.15 -0.04 2.03 2.12 2fvuB1 PRO 201 HD2 -0.05 0.02 0.22 -0.04 3.68 3.83 2fvuB1 PRO 201 HD3 -0.06 0.29 0.30 -0.04 3.65 4.13 2fvuB1 LYS 202 H 0.01 0.14 -0.14 -0.55 8.42 7.88 2fvuB1 LYS 202 HA 0.06 0.06 0.36 -0.75 4.32 4.04 2fvuB1 LYS 202 HB2 0.01 -0.01 0.03 -0.04 1.87 1.86 2fvuB1 LYS 202 HB3 0.01 0.03 -0.01 -0.04 1.79 1.78 2fvuB1 LYS 202 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 2fvuB1 LYS 202 HG3 -0.02 0.04 0.02 -0.04 1.46 1.46 2fvuB1 LYS 202 HD2 -0.02 0.02 0.01 -0.04 1.69 1.65 2fvuB1 LYS 202 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 2fvuB1 LYS 202 HE2 -0.07 0.00 -0.01 -0.04 2.99 2.87 2fvuB1 LYS 202 HE3 -0.04 0.01 -0.00 -0.04 2.99 2.92 2fvuB1 GLN 203 H 0.05 0.18 -0.26 -0.55 8.47 7.89 2fvuB1 GLN 203 HA 0.05 0.05 0.45 -0.75 4.36 4.16 2fvuB1 GLN 203 HB2 0.04 0.09 0.08 -0.04 2.15 2.32 2fvuB1 GLN 203 HB3 0.03 0.01 0.06 -0.04 2.02 2.09 2fvuB1 GLN 203 HG2 0.02 -0.08 0.07 -0.04 2.40 2.37 2fvuB1 GLN 203 HG3 0.01 -0.01 0.10 -0.04 2.39 2.45 2fvuB1 GLN 203 HE21 0.01 0.03 -0.03 -0.04 6.97 6.94 2fvuB1 GLN 203 HE22 0.01 -0.08 -0.05 -0.04 7.69 7.53 2fvuB1 SER 204 H 0.14 0.57 -0.15 -0.55 8.46 8.48 2fvuB1 SER 204 HA 0.14 0.03 0.49 -0.75 4.49 4.39 2fvuB1 SER 204 HB2 0.24 -0.08 -0.09 -0.04 3.95 3.99 2fvuB1 SER 204 HB3 0.14 0.16 -0.10 -0.04 3.93 4.09 2fvuB1 ASP 205 H 0.24 0.63 -0.04 -0.55 8.40 8.68 2fvuB1 ASP 205 HA 0.13 0.02 0.39 -0.75 4.63 4.42 2fvuB1 ASP 205 HB2 -0.06 0.03 0.07 -0.04 2.71 2.70 2fvuB1 ASP 205 HB3 0.07 0.09 0.09 -0.04 2.70 2.91 2fvuB1 GLU 206 H 0.08 0.40 -0.37 -0.55 8.60 8.17 2fvuB1 GLU 206 HA 0.01 0.03 0.53 -0.75 4.29 4.10 2fvuB1 GLU 206 HB2 0.03 -0.00 0.09 -0.04 2.09 2.17 2fvuB1 GLU 206 HB3 0.06 0.11 0.13 -0.04 1.99 2.25 2fvuB1 GLU 206 HG2 0.04 0.02 -0.20 -0.04 2.34 2.16 2fvuB1 GLU 206 HG3 0.01 -0.06 0.07 -0.04 2.34 2.31 2fvuB1 TYR 207 H 0.16 0.35 -0.30 -0.55 8.29 7.95 2fvuB1 TYR 207 HA -0.02 0.03 0.45 -0.75 4.56 4.27 2fvuB1 TYR 207 HB2 0.01 0.08 0.16 -0.04 3.06 3.26 2fvuB1 TYR 207 HB3 -0.01 0.13 0.21 -0.04 2.98 3.27 2fvuB1 TYR 207 HD2 -0.01 0.02 -0.04 -0.04 7.15 7.07 2fvuB1 TYR 207 HE2 -0.00 -0.04 -0.07 -0.04 6.85 6.70 2fvuB1 LEU 208 H -0.01 0.56 -0.09 -0.55 8.37 8.29 2fvuB1 LEU 208 HA -0.25 0.01 0.39 -0.75 4.35 3.74 2fvuB1 LEU 208 HB2 -0.31 0.10 0.08 -0.04 1.64 1.47 2fvuB1 LEU 208 HB3 -0.46 0.08 0.03 -0.04 1.64 1.24 2fvuB1 LEU 208 HG -0.31 -0.04 -0.05 -0.04 1.64 1.19 2fvuB1 LEU 208 HD13 -1.26 0.02 -0.09 -0.04 0.93 -0.45 2fvuB1 LEU 208 HD23 -0.28 -0.04 -0.19 -0.04 0.89 0.33 2fvuB1 LYS 209 H -0.11 0.47 -0.23 -0.55 8.42 8.00 2fvuB1 LYS 209 HA -0.11 -0.04 0.35 -0.75 4.32 3.76 2fvuB1 LYS 209 HB2 -0.05 0.10 0.20 -0.04 1.87 2.09 2fvuB1 LYS 209 HB3 -0.05 -0.04 -0.04 -0.04 1.79 1.62 2fvuB1 LYS 209 HG2 -0.05 -0.10 0.06 -0.04 1.46 1.33 2fvuB1 LYS 209 HG3 -0.03 0.17 0.11 -0.04 1.46 1.67 2fvuB1 LYS 209 HD2 -0.01 0.00 -0.04 -0.04 1.69 1.61 2fvuB1 LYS 209 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.57 2fvuB1 LYS 209 HE2 -0.00 -0.05 0.00 -0.04 2.99 2.90 2fvuB1 LYS 209 HE3 0.02 0.04 0.03 -0.04 2.99 3.04 2fvuB1 ARG 210 H -0.11 0.47 -0.26 -0.55 8.46 8.01 2fvuB1 ARG 210 HA -0.07 0.01 0.39 -0.75 4.34 3.92 2fvuB1 ARG 210 HB2 -0.06 -0.05 0.09 -0.04 1.90 1.83 2fvuB1 ARG 210 HB3 -0.06 0.03 0.10 -0.04 1.80 1.83 2fvuB1 ARG 210 HG2 -0.20 0.26 0.10 -0.04 1.67 1.79 2fvuB1 ARG 210 HG3 -0.16 -0.03 -0.23 -0.04 1.67 1.21 2fvuB1 ARG 210 HD2 -0.03 -0.05 -0.01 -0.04 3.22 3.08 2fvuB1 ARG 210 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.18 2fvuB1 VAL 211 H -0.20 0.25 -0.52 -0.55 8.24 7.21 2fvuB1 VAL 211 HA -0.14 0.08 0.44 -0.75 4.13 3.76 2fvuB1 VAL 211 HB -0.20 0.03 0.22 -0.04 2.12 2.13 2fvuB1 VAL 211 HG13 -0.09 -0.01 -0.15 -0.04 0.97 0.67 2fvuB1 VAL 211 HG23 -0.43 0.07 0.04 -0.04 0.95 0.59 2fvuB1 SER 212 H -0.13 0.29 0.04 -0.55 8.46 8.11 2fvuB1 SER 212 HA -0.04 -0.00 0.16 -0.75 4.49 3.86 2fvuB1 SER 212 HB2 -0.10 0.01 -0.05 -0.04 3.95 3.77 2fvuB1 SER 212 HB3 -0.07 -0.04 -0.15 -0.04 3.93 3.63 2fvuB1 VAL 213 H -0.08 0.27 -0.77 -0.55 8.24 7.11 2fvuB1 VAL 213 HA -0.06 0.07 0.56 -0.75 4.13 3.95 2fvuB1 VAL 213 HB -0.06 0.25 0.05 -0.04 2.12 2.32 2fvuB1 VAL 213 HG13 -0.05 -0.03 0.01 -0.04 0.97 0.86 2fvuB1 VAL 213 HG23 -0.06 -0.05 -0.08 -0.04 0.95 0.71