#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb6 s GLU -18 N 0.00 3.70 0.39 1.96 0.41 -1.26 -4.73 118.70 119.17 2wb6 s GLU -18 Ca 0.00 -0.06 0.16 0.00 -0.41 0.00 0.00 54.97 54.66 2wb6 s GLU -18 Cb 0.00 -3.79 0.81 0.00 -1.78 0.00 0.00 34.13 29.37 2wb6 s GLU -18 CO 0.00 -0.62 1.84 0.66 -0.49 0.00 0.00 175.26 176.65 2wb6 h SER -17 N 8.40 0.00 0.50 -0.19 4.64 -1.98 -2.33 113.55 122.59 2wb6 h SER -17 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2wb6 h SER -17 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wb6 h SER -17 CO 0.77 0.35 -0.11 0.71 -0.87 0.00 0.00 176.83 177.68 2wb6 h THR -16 N 0.00 0.45 0.00 2.95 1.35 -1.97 -2.34 112.91 113.35 2wb6 h THR -16 Ca -0.00 -0.59 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 2wb6 h THR -16 Cb 0.68 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2wb6 h THR -16 CO 0.05 0.11 -0.14 0.77 -0.25 0.00 0.00 175.52 176.05 2wb6 h SER -15 N 0.00 0.00 0.29 5.36 4.64 -1.84 -2.67 113.55 119.32 2wb6 h SER -15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wb6 h SER -15 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2wb6 h SER -15 CO 0.01 0.14 0.00 -0.07 -0.87 0.00 0.00 176.83 176.05 2wb6 h LEU -14 N 0.00 0.00 -0.28 5.97 3.38 -1.54 -2.10 115.31 120.74 2wb6 h LEU -14 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2wb6 h LEU -14 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wb6 h LEU -14 CO 0.02 0.00 -0.86 1.88 0.09 0.00 0.00 178.44 179.57 2wb6 h TYR -13 N 0.00 0.03 0.00 1.13 -1.99 -1.65 -2.66 116.97 111.83 2wb6 h TYR -13 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2wb6 h TYR -13 Cb 0.14 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 2wb6 h TYR -13 CO 0.00 0.87 0.00 1.63 -0.00 0.00 0.00 178.16 180.66 2wb6 n LYS -12 N -3.53 0.18 -0.04 4.88 5.02 -0.79 -2.88 118.16 121.00 2wb6 n LYS -12 Ca -0.01 0.50 -0.01 0.00 -2.02 0.00 0.00 58.31 56.77 2wb6 n LYS -12 Cb 0.82 -1.91 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 2wb6 n LYS -12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wb6 n LYS -11 N -2.27 1.41 -2.79 1.97 5.02 -1.19 -4.97 118.16 115.35 2wb6 n LYS -11 Ca 0.01 -0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 2wb6 n LYS -11 Cb 0.16 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2wb6 n LYS -11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb6 s ALA -10 N -2.52 3.21 0.95 7.82 0.00 -1.01 -5.03 121.76 125.18 2wb6 s ALA -10 Ca -0.06 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 2wb6 s ALA -10 Cb 0.05 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 20.08 2wb6 s ALA -10 CO 0.51 -0.22 1.12 0.20 0.00 0.00 0.00 175.76 177.37 2wb6 s GLY -9 N 0.97 1.57 0.00 0.00 0.00 -1.26 -4.87 107.32 103.73 2wb6 s GLY -9 Ca 0.48 -0.46 0.09 0.00 0.00 0.00 0.00 44.72 44.84 2wb6 s GLY -9 CO 0.25 0.12 1.25 1.44 0.00 0.00 0.00 173.10 176.16 2wb6 n SER -8 N -3.94 0.00 -0.36 1.64 7.64 -1.26 -3.66 113.62 113.69 2wb6 n SER -8 Ca 0.06 -1.42 0.06 0.00 1.01 0.00 0.00 58.87 58.58 2wb6 n SER -8 Cb 0.58 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.01 2wb6 n SER -8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2wb6 h GLU -7 N 0.00 1.00 -0.03 1.43 5.08 -2.00 0.43 114.58 120.49 2wb6 h GLU -7 Ca 0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2wb6 h GLU -7 Cb 0.00 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.97 2wb6 h GLU -7 CO 0.00 0.66 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.43 2wb6 h ASN -6 N 1.03 -1.01 -0.24 1.42 4.21 -1.96 -2.35 115.58 116.68 2wb6 h ASN -6 Ca 0.48 0.13 -0.11 0.00 1.21 0.00 0.00 56.30 58.01 2wb6 h ASN -6 Cb 0.43 0.41 -0.01 0.00 -1.12 0.00 0.00 38.32 38.03 2wb6 h ASN -6 CO -0.25 -0.39 -0.24 -0.07 -1.29 0.00 0.00 177.43 175.19 2wb6 h LEU -5 N -0.47 0.73 -0.35 1.61 3.38 -1.54 -2.46 115.31 116.22 2wb6 h LEU -5 Ca 0.07 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2wb6 h LEU -5 Cb 0.57 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2wb6 h LEU -5 CO -0.30 0.95 0.10 1.88 0.09 0.00 0.00 178.44 181.16 2wb6 h TYR -4 N 0.63 0.16 -0.36 1.13 -1.99 -0.85 0.52 116.97 116.21 2wb6 h TYR -4 Ca 0.09 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.72 2wb6 h TYR -4 Cb 0.74 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 2wb6 h TYR -4 CO 0.04 0.05 -0.26 0.35 -0.00 0.00 0.00 178.16 178.34 2wb6 h PHE -3 N 0.23 0.85 0.00 4.88 3.57 -1.15 -3.06 116.94 122.26 2wb6 h PHE -3 Ca 0.16 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2wb6 h PHE -3 Cb 0.16 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2wb6 h PHE -3 CO -0.16 0.92 -0.66 1.96 -2.23 0.00 0.00 178.31 178.14 2wb6 h GLN -2 N 0.64 0.00 0.00 1.11 1.08 -1.39 -3.48 115.11 113.08 2wb6 h GLN -2 Ca 0.08 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.85 2wb6 h GLN -2 Cb 0.77 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.25 2wb6 h GLN -2 CO 0.06 0.16 0.03 0.41 -0.95 0.00 0.00 178.83 178.54 2wb6 n GLY -1 N 1.20 1.23 3.54 3.46 0.00 0.17 -4.70 105.19 110.10 2wb6 n GLY -1 Ca -0.00 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 2wb6 n GLY -1 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb6 s ILE 2 N -2.61 5.23 -0.27 -0.61 -1.09 0.13 -4.93 121.20 117.05 2wb6 s ILE 2 Ca 0.59 -0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.86 2wb6 s ILE 2 Cb -0.04 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2wb6 s ILE 2 CO 0.38 -0.02 0.15 -0.69 -1.23 0.00 0.00 174.94 173.54 2wb6 s VAL 3 N 1.86 5.01 0.48 2.92 1.01 -1.26 -1.65 120.40 128.78 2wb6 s VAL 3 Ca 0.09 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2wb6 s VAL 3 Cb -0.17 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2wb6 s VAL 3 CO 0.11 0.27 0.27 -1.81 0.00 0.00 0.00 175.10 173.94 2wb6 s ASP 4 N 1.72 4.53 0.16 3.32 1.01 0.99 -5.02 116.67 123.37 2wb6 s ASP 4 Ca 0.07 -1.20 -0.16 0.00 0.71 0.00 0.00 52.55 51.96 2wb6 s ASP 4 Cb -0.16 0.04 0.08 0.00 1.01 0.00 0.00 42.92 43.90 2wb6 s ASP 4 CO 0.09 -0.84 1.72 0.50 0.21 0.00 0.00 175.17 176.85 2wb6 h LYS 5 N 1.08 0.16 -0.11 8.23 3.64 -2.03 -3.25 116.57 124.30 2wb6 h LYS 5 Ca -0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2wb6 h LYS 5 Cb 1.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2wb6 h LYS 5 CO 0.64 0.11 0.00 0.09 -2.27 0.00 0.00 179.45 178.01 2wb6 n ASN 6 N -5.12 2.32 -3.71 4.20 5.03 -1.26 -4.91 115.26 111.81 2wb6 n ASN 6 Ca 0.02 -2.05 -0.10 0.00 0.87 0.00 0.00 54.58 53.32 2wb6 n ASN 6 Cb 0.17 -0.09 -0.05 0.00 -1.02 0.00 0.00 39.78 38.79 2wb6 n ASN 6 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2wb6 s LYS 7 N -1.08 1.10 -0.06 3.52 -2.85 -1.23 0.01 119.74 119.15 2wb6 s LYS 7 Ca 0.09 -0.81 0.02 0.00 -1.00 0.00 0.00 55.97 54.27 2wb6 s LYS 7 Cb 0.05 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.28 2wb6 s LYS 7 CO 0.05 -0.43 -0.12 0.42 0.10 0.00 0.00 175.35 175.37 2wb6 s ILE 8 N -3.84 1.08 -0.16 3.79 1.01 0.19 -0.01 121.20 123.26 2wb6 s ILE 8 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2wb6 s ILE 8 Cb 0.02 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2wb6 s ILE 8 CO -0.09 0.34 -0.18 -0.69 0.00 0.00 0.00 174.94 174.32 2wb6 s VAL 9 N 0.58 2.33 -0.14 2.92 1.01 -0.66 -0.36 120.40 126.08 2wb6 s VAL 9 Ca -0.12 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2wb6 s VAL 9 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2wb6 s VAL 9 CO 0.03 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 2wb6 s ILE 10 N 1.03 2.30 0.58 2.22 1.09 0.51 -0.70 121.20 128.24 2wb6 s ILE 10 Ca -0.01 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.43 2wb6 s ILE 10 Cb -0.15 -1.94 -0.04 0.00 -1.06 0.00 0.00 42.46 39.28 2wb6 s ILE 10 CO -0.05 0.54 1.35 -2.84 -0.10 0.00 0.00 174.94 173.83 2wb6 s PRO 11 N 0.78 2.96 0.22 2.79 0.02 -1.26 -0.56 135.00 139.94 2wb6 s PRO 11 Ca -0.07 2.20 -0.09 0.00 0.02 0.00 0.00 61.00 63.06 2wb6 s PRO 11 Cb -0.16 -2.14 0.23 0.00 0.02 0.00 0.00 34.50 32.45 2wb6 s PRO 11 CO -0.00 -1.32 1.85 1.98 -0.33 0.00 0.00 177.00 179.17 2wb6 h MET 12 N 1.18 0.88 -0.45 5.54 4.05 -1.31 -0.40 114.93 124.42 2wb6 h MET 12 Ca -0.51 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 58.74 2wb6 h MET 12 Cb 1.31 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 2wb6 h MET 12 CO 0.56 0.58 -0.20 0.66 0.23 0.00 0.00 176.91 178.74 2wb6 h SER 13 N 0.90 0.95 -0.60 1.39 4.64 -1.90 -0.41 113.55 118.53 2wb6 h SER 13 Ca 0.31 -0.40 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 2wb6 h SER 13 Cb 0.05 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2wb6 h SER 13 CO -0.12 1.13 0.25 -0.33 -0.87 0.00 0.00 176.83 176.89 2wb6 h GLU 14 N 0.76 0.89 -0.06 4.77 3.07 -1.89 -0.14 114.58 121.98 2wb6 h GLU 14 Ca 0.10 -0.15 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2wb6 h GLU 14 Cb 0.77 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 2wb6 h GLU 14 CO 0.06 0.75 -0.12 0.35 -1.40 0.00 0.00 179.01 178.65 2wb6 h PHE 15 N 0.83 -0.30 -0.39 4.33 3.57 -0.77 -2.01 116.94 122.20 2wb6 h PHE 15 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2wb6 h PHE 15 Cb 0.18 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2wb6 h PHE 15 CO 0.01 -0.18 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.79 2wb6 h LEU 16 N -0.17 0.71 -0.58 0.59 3.38 -0.95 -1.68 115.31 116.61 2wb6 h LEU 16 Ca 0.06 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.80 2wb6 h LEU 16 Cb 0.26 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 2wb6 h LEU 16 CO -0.16 0.88 0.10 0.44 0.09 0.00 0.00 178.44 179.79 2wb6 h ASP 17 N 0.53 -0.05 -0.45 -0.43 3.32 -0.95 0.52 116.42 118.89 2wb6 h ASP 17 Ca 0.10 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2wb6 h ASP 17 Cb 0.55 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2wb6 h ASP 17 CO 0.03 -0.01 0.13 0.28 -1.72 0.00 0.00 179.24 177.94 2wb6 h SER 18 N 0.22 0.68 -0.09 6.45 0.02 -1.12 -1.61 113.55 118.11 2wb6 h SER 18 Ca 0.30 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 2wb6 h SER 18 Cb 0.45 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2wb6 h SER 18 CO -0.41 0.72 -0.43 0.24 -1.14 0.00 0.00 176.83 175.81 2wb6 h MET 19 N 0.60 0.63 -0.58 3.45 2.86 -0.73 -2.79 114.93 118.36 2wb6 h MET 19 Ca 0.14 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 2wb6 h MET 19 Cb 0.29 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2wb6 h MET 19 CO -0.00 0.94 0.18 0.74 1.06 0.00 0.00 176.91 179.82 2wb6 h PHE 20 N 0.51 0.95 -0.44 -0.22 0.04 0.12 -2.83 116.94 115.07 2wb6 h PHE 20 Ca 0.04 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2wb6 h PHE 20 Cb 0.95 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 2wb6 h PHE 20 CO 0.04 0.79 0.27 1.25 -0.60 0.00 0.00 178.31 180.07 2wb6 h LEU 21 N 0.83 0.51 -0.70 1.54 5.85 -1.11 -2.60 115.31 119.63 2wb6 h LEU 21 Ca 0.19 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.02 2wb6 h LEU 21 Cb 0.30 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 2wb6 h LEU 21 CO -0.00 0.39 0.22 0.58 -0.34 0.00 0.00 178.44 179.28 2wb6 h VAL 22 N 0.60 0.63 -0.00 1.05 2.07 -1.24 -2.45 116.25 116.91 2wb6 h VAL 22 Ca 0.16 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2wb6 h VAL 22 Cb -0.04 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2wb6 h VAL 22 CO -0.03 0.07 -0.54 2.30 0.02 0.00 0.00 177.57 179.39 2wb6 n ILE 23 N -5.07 0.00 0.24 4.57 -5.35 -1.00 -3.74 119.36 109.02 2wb6 n ILE 23 Ca 0.12 -0.06 0.18 0.00 -0.27 0.00 0.00 62.75 62.72 2wb6 n ILE 23 Cb 0.39 0.55 0.86 0.00 -1.74 0.00 0.00 39.64 39.70 2wb6 n ILE 23 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2wb6 h GLU 24 N 0.58 0.00 0.00 6.28 4.81 -1.23 -1.53 114.58 123.50 2wb6 h GLU 24 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2wb6 h GLU 24 Cb 0.53 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2wb6 h GLU 24 CO 0.00 0.00 -0.13 1.57 -0.73 0.00 0.00 179.01 179.72 2wb6 h LYS 25 N 0.00 0.00 -0.71 1.92 2.10 -1.71 -2.08 116.57 116.10 2wb6 h LYS 25 Ca 0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.69 2wb6 h LYS 25 Cb 0.59 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 2wb6 h LYS 25 CO -0.00 0.13 0.04 1.28 -2.00 0.00 0.00 179.45 178.90 2wb6 n LEU 26 N -3.18 4.76 -0.68 7.07 4.77 -0.60 -4.90 117.00 124.24 2wb6 n LEU 26 Ca 0.02 -2.43 -0.09 0.00 -0.03 0.00 0.00 56.01 53.49 2wb6 n LEU 26 Cb 0.48 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2wb6 n LEU 26 CO 0.33 0.57 -0.08 0.61 -1.33 0.00 0.00 177.39 177.49 2wb6 n GLY 27 N 0.38 1.04 3.61 -0.72 0.00 -0.78 -4.05 105.19 104.67 2wb6 n GLY 27 Ca 0.23 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2wb6 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb6 s VAL 28 N -2.24 5.11 0.04 1.61 1.01 -1.08 -3.21 120.40 121.63 2wb6 s VAL 28 Ca 0.00 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 2wb6 s VAL 28 Cb 0.00 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2wb6 s VAL 28 CO 0.00 0.10 0.41 -2.28 0.00 0.00 0.00 175.10 173.32 2wb6 s HIS 29 N 2.22 3.66 0.01 5.22 2.46 0.10 -3.37 115.29 125.59 2wb6 s HIS 29 Ca 0.19 0.90 0.02 0.00 0.47 0.00 0.00 55.06 56.64 2wb6 s HIS 29 Cb -0.16 -2.23 -0.01 0.00 -0.13 0.00 0.00 32.58 30.05 2wb6 s HIS 29 CO 0.10 0.58 -0.07 0.00 -2.47 0.00 0.00 174.74 172.88 2wb6 s ALA 30 N -1.23 0.57 -0.03 1.58 0.00 -1.26 -1.36 121.76 120.02 2wb6 s ALA 30 Ca 0.28 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 2wb6 s ALA 30 Cb -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2wb6 s ALA 30 CO 0.15 0.10 0.31 -2.00 0.00 0.00 0.00 175.76 174.33 2wb6 s GLU 31 N -0.48 0.62 -0.12 0.00 2.12 -0.63 -4.98 118.70 115.24 2wb6 s GLU 31 Ca -0.00 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.20 2wb6 s GLU 31 Cb -0.04 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 2wb6 s GLU 31 CO -0.00 -0.16 0.03 0.21 -0.54 0.00 0.00 175.26 174.80 2wb6 s LYS 32 N -1.08 3.33 -0.13 4.30 2.20 -1.26 -0.39 119.74 126.71 2wb6 s LYS 32 Ca -0.11 -0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 2wb6 s LYS 32 Cb -0.05 -2.96 0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2wb6 s LYS 32 CO 0.04 0.59 0.25 0.21 -0.36 0.00 0.00 175.35 176.07 2wb6 s LYS 33 N -0.54 0.14 6.99 4.03 2.47 -0.50 -5.00 119.74 127.33 2wb6 s LYS 33 Ca 0.10 0.72 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 2wb6 s LYS 33 Cb -0.12 -0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.17 2wb6 s LYS 33 CO 0.02 -0.30 0.00 0.41 0.16 0.00 0.00 175.35 175.65 2wb6 n GLY 34 N 5.35 1.91 0.97 5.54 0.00 -1.26 -2.44 105.19 115.27 2wb6 n GLY 34 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2wb6 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wb6 n SER 35 N 6.18 2.75 -4.46 1.61 7.64 -1.26 -4.99 113.62 121.10 2wb6 n SER 35 Ca 0.00 -3.55 -0.30 0.00 1.01 0.00 0.00 58.87 56.03 2wb6 n SER 35 Cb 0.00 -0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 62.49 2wb6 n SER 35 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2wb6 s MET 36 N -3.12 1.87 -0.16 1.43 -1.94 -1.02 -0.89 119.30 115.47 2wb6 s MET 36 Ca 0.43 -1.11 -0.05 0.00 -1.71 0.00 0.00 55.69 53.25 2wb6 s MET 36 Cb 0.38 -2.12 -0.03 0.00 2.01 0.00 0.00 34.83 35.07 2wb6 s MET 36 CO 0.02 0.50 -0.01 0.42 -0.01 0.00 0.00 175.02 175.94 2wb6 s ILE 37 N -1.03 4.17 -0.17 2.53 -1.09 0.76 -1.41 121.20 124.96 2wb6 s ILE 37 Ca 0.16 -0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.29 2wb6 s ILE 37 Cb -0.10 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 2wb6 s ILE 37 CO 0.07 0.49 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.86 2wb6 s PHE 38 N 0.31 2.96 -0.02 3.97 0.08 0.47 -1.10 117.98 124.65 2wb6 s PHE 38 Ca -0.01 -0.54 0.06 0.00 0.12 0.00 0.00 56.93 56.55 2wb6 s PHE 38 Cb -0.14 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2wb6 s PHE 38 CO 0.02 -0.22 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.23 2wb6 s LEU 39 N 0.68 2.49 -0.00 -0.37 1.43 0.59 -1.60 118.68 121.89 2wb6 s LEU 39 Ca -0.03 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2wb6 s LEU 39 Cb -0.15 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.61 2wb6 s LEU 39 CO 0.02 0.32 0.24 -0.94 0.23 0.00 0.00 176.35 176.23 2wb6 s SER 40 N -0.83 -0.10 -0.02 2.29 1.04 -0.46 -1.40 113.70 114.21 2wb6 s SER 40 Ca 0.12 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.49 2wb6 s SER 40 Cb -0.10 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.30 2wb6 s SER 40 CO 0.01 -0.43 0.05 -0.55 0.98 0.00 0.00 173.24 173.30 2wb6 s SER 41 N -1.40 -0.04 0.01 7.02 0.15 -0.68 0.00 113.70 118.76 2wb6 s SER 41 Ca -0.14 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.64 2wb6 s SER 41 Cb -0.06 0.08 -0.25 0.00 -1.71 0.00 0.00 66.02 64.08 2wb6 s SER 41 CO 0.03 -0.04 0.89 -0.33 1.20 0.00 0.00 173.24 174.99 2wb6 h GLU 42 N 6.32 0.16 0.00 5.44 5.08 -1.88 -3.45 114.58 126.24 2wb6 h GLU 42 Ca -0.29 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2wb6 h GLU 42 Cb 1.19 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2wb6 h GLU 42 CO 0.47 0.98 0.00 0.54 -1.00 0.00 0.00 179.01 180.00 2wb6 n ARG 43 N -3.36 0.00 -2.25 2.33 1.74 -1.26 -5.03 116.66 108.83 2wb6 n ARG 43 Ca -0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 2wb6 n ARG 43 Cb 1.02 -0.26 -0.03 0.00 -1.02 0.00 0.00 32.46 32.18 2wb6 n ARG 43 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wb6 s VAL 44 N -0.81 3.22 0.68 1.55 1.01 -1.26 -5.02 120.40 119.77 2wb6 s VAL 44 Ca 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 2wb6 s VAL 44 Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2wb6 s VAL 44 CO 0.00 0.18 1.14 -0.54 0.00 0.00 0.00 175.10 175.88 2wb6 s LYS 45 N -0.49 2.59 -0.38 2.72 1.02 -1.26 -4.73 119.74 119.20 2wb6 s LYS 45 Ca 0.54 1.50 0.06 0.00 0.02 0.00 0.00 55.97 58.09 2wb6 s LYS 45 Cb -0.36 -1.91 0.53 0.00 -0.52 0.00 0.00 37.83 35.57 2wb6 s LYS 45 CO 0.40 -1.43 1.61 1.28 -0.92 0.00 0.00 175.35 176.29 2wb6 n LEU 46 N -2.51 5.30 0.16 3.17 4.77 0.11 -4.70 117.00 123.30 2wb6 n LEU 46 Ca 0.11 -3.94 0.06 0.00 -0.03 0.00 0.00 56.01 52.21 2wb6 n LEU 46 Cb 0.51 -0.70 0.52 0.00 -2.33 0.00 0.00 43.42 41.43 2wb6 n LEU 46 CO 0.48 1.36 1.05 0.00 -1.33 0.00 0.00 177.39 178.94 2wb6 h ALA 47 N 1.28 1.80 -0.37 -1.18 0.00 -1.94 -2.22 119.26 116.63 2wb6 h ALA 47 Ca 0.39 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2wb6 h ALA 47 Cb 1.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2wb6 h ALA 47 CO 0.76 0.16 -0.17 0.38 0.00 0.00 0.00 179.25 180.38 2wb6 h ASP 48 N 0.19 0.80 -0.76 0.00 2.03 -1.98 -0.39 116.42 116.31 2wb6 h ASP 48 Ca 0.05 -0.40 -0.02 0.00 -0.73 0.00 0.00 57.03 55.93 2wb6 h ASP 48 Cb 0.08 -0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 38.33 2wb6 h ASP 48 CO -0.00 1.02 0.42 -0.50 -1.03 0.00 0.00 179.24 179.15 2wb6 h TRP 49 N 0.57 1.04 -0.27 4.15 4.06 -1.82 -1.85 115.95 121.84 2wb6 h TRP 49 Ca 0.08 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 2wb6 h TRP 49 Cb 0.72 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 2wb6 h TRP 49 CO 0.06 0.73 0.13 -0.22 -3.56 0.00 0.00 178.44 175.58 2wb6 h LYS 50 N 1.05 0.39 -0.78 0.49 3.64 -1.28 -0.20 116.57 119.88 2wb6 h LYS 50 Ca 0.27 -0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.75 2wb6 h LYS 50 Cb 0.04 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2wb6 h LYS 50 CO -0.04 0.38 0.52 0.37 -2.27 0.00 0.00 179.45 178.41 2wb6 h GLN 51 N 0.31 0.37 -0.23 1.90 5.75 -0.78 -0.17 115.11 122.26 2wb6 h GLN 51 Ca 0.09 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2wb6 h GLN 51 Cb 0.11 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.58 2wb6 h GLN 51 CO -0.01 0.25 0.00 1.28 -2.65 0.00 0.00 178.83 177.70 2wb6 n LEU 52 N -4.47 1.94 0.00 -2.39 4.77 -0.72 -4.90 117.00 111.22 2wb6 n LEU 52 Ca 0.15 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2wb6 n LEU 52 Cb 0.58 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2wb6 n LEU 52 CO 0.33 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2wb6 n GLY 53 N 1.17 1.34 3.76 -0.72 0.00 -0.08 -5.06 105.19 105.60 2wb6 n GLY 53 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2wb6 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb6 s ALA 54 N -1.92 2.59 -0.42 4.61 0.00 -0.13 -4.97 121.76 121.52 2wb6 s ALA 54 Ca 0.00 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 2wb6 s ALA 54 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2wb6 s ALA 54 CO 0.00 -1.05 0.46 -1.64 0.00 0.00 0.00 175.76 173.53 2wb6 s MET 55 N -3.32 3.14 -0.07 0.00 -1.94 0.48 -4.50 119.30 113.10 2wb6 s MET 55 Ca 0.76 -0.69 0.01 0.00 -1.71 0.00 0.00 55.69 54.06 2wb6 s MET 55 Cb -0.29 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 32.57 2wb6 s MET 55 CO 0.31 -0.86 -0.08 0.00 -0.01 0.00 0.00 175.02 174.38 2wb6 h SER 57 N 5.41 0.00 -1.48 0.00 4.64 -1.72 -3.49 113.55 116.91 2wb6 h SER 57 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 2wb6 h SER 57 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wb6 h SER 57 CO 0.53 0.96 0.02 -0.90 -0.87 0.00 0.00 176.83 176.57 2wb6 n ASP 58 N -3.09 -0.25 0.07 4.97 5.68 -1.24 -5.01 116.55 117.67 2wb6 n ASP 58 Ca -0.13 -1.22 0.06 0.00 -0.50 0.00 0.00 54.79 53.00 2wb6 n ASP 58 Cb 1.01 0.43 0.30 0.00 -1.14 0.00 0.00 41.12 41.72 2wb6 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wb6 n TYR 60 N -1.83 0.00 -3.70 0.00 4.01 -1.26 0.04 117.16 114.42 2wb6 n TYR 60 Ca 0.00 -0.15 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 2wb6 n TYR 60 Cb 0.07 -0.02 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 2wb6 n TYR 60 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2wb6 s HIS 61 N -0.30 -0.17 0.06 -0.72 3.76 -1.15 -1.69 115.29 115.08 2wb6 s HIS 61 Ca 0.00 0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 55.40 2wb6 s HIS 61 Cb 0.00 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 2wb6 s HIS 61 CO 0.00 -0.23 0.11 0.00 -0.85 0.00 0.00 174.74 173.77 2wb6 s LYS 63 N -3.50 0.56 0.01 0.00 -2.85 -0.06 -0.30 119.74 113.61 2wb6 s LYS 63 Ca 0.02 -0.90 -0.21 0.00 -1.00 0.00 0.00 55.97 53.89 2wb6 s LYS 63 Cb 0.04 -0.17 0.04 0.00 -2.06 0.00 0.00 37.83 35.69 2wb6 s LYS 63 CO -0.09 0.01 0.47 -0.48 0.10 0.00 0.00 175.35 175.35 2wb6 s LEU 64 N -1.98 0.19 0.61 2.77 2.34 -0.26 -0.38 118.68 121.96 2wb6 s LEU 64 Ca -0.05 0.20 -0.20 0.00 0.06 0.00 0.00 54.13 54.15 2wb6 s LEU 64 Cb -0.05 1.88 -0.03 0.00 -0.56 0.00 0.00 46.19 47.43 2wb6 s LEU 64 CO -0.02 -0.61 1.32 -2.84 -1.06 0.00 0.00 176.35 173.14 2wb6 s PRO 65 N -1.94 2.79 0.25 1.48 0.02 -1.26 -0.17 135.00 136.17 2wb6 s PRO 65 Ca -0.08 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.01 2wb6 s PRO 65 Cb -0.02 -2.01 0.47 0.00 0.02 0.00 0.00 34.50 32.97 2wb6 s PRO 65 CO 0.02 -1.43 1.65 1.25 -0.33 0.00 0.00 177.00 178.16 2wb6 h LEU 66 N 0.92 -0.18 -0.76 -5.54 5.85 -1.32 -1.66 115.31 112.60 2wb6 h LEU 66 Ca -0.51 0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 2wb6 h LEU 66 Cb 1.32 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 2wb6 h LEU 66 CO 0.55 -0.13 0.17 0.77 -0.34 0.00 0.00 178.44 179.46 2wb6 h SER 67 N 0.17 1.04 -0.64 1.25 4.64 -1.90 -0.89 113.55 117.22 2wb6 h SER 67 Ca 0.43 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 2wb6 h SER 67 Cb 0.76 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2wb6 h SER 67 CO -0.61 1.00 0.27 0.28 -0.87 0.00 0.00 176.83 176.90 2wb6 h SER 68 N 1.05 0.88 -0.15 4.97 0.02 -1.76 -0.92 113.55 117.63 2wb6 h SER 68 Ca 0.22 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2wb6 h SER 68 Cb 0.36 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2wb6 h SER 68 CO 0.00 0.80 -0.03 0.15 -1.14 0.00 0.00 176.83 176.61 2wb6 h PHE 69 N 0.90 -0.07 -0.35 3.45 3.57 -0.87 -1.67 116.94 121.90 2wb6 h PHE 69 Ca 0.22 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2wb6 h PHE 69 Cb 0.18 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2wb6 h PHE 69 CO 0.01 -0.06 0.11 0.82 -2.23 0.00 0.00 178.31 176.96 2wb6 h ILE 70 N 0.01 0.89 -0.90 1.41 2.04 -0.84 -1.30 117.51 118.82 2wb6 h ILE 70 Ca 0.07 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2wb6 h ILE 70 Cb 0.11 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2wb6 h ILE 70 CO -0.15 0.05 0.58 -0.33 0.00 0.00 0.00 178.15 178.30 2wb6 h GLU 71 N 0.25 1.19 -0.07 2.37 4.39 -1.03 -2.01 114.58 119.67 2wb6 h GLU 71 Ca 0.16 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2wb6 h GLU 71 Cb 0.14 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2wb6 h GLU 71 CO -0.17 0.80 0.01 0.82 -1.16 0.00 0.00 179.01 179.31 2wb6 h ILE 72 N 1.22 1.21 0.00 3.13 2.04 -0.82 -3.10 117.51 121.20 2wb6 h ILE 72 Ca 0.33 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2wb6 h ILE 72 Cb -0.12 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2wb6 h ILE 72 CO -0.07 0.18 -0.08 -0.37 0.00 0.00 0.00 178.15 177.81 2wb6 h VAL 73 N -0.13 0.18 -0.59 1.67 -1.51 -1.11 -2.86 116.25 111.91 2wb6 h VAL 73 Ca 0.02 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 2wb6 h VAL 73 Cb 0.28 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2wb6 h VAL 73 CO 0.00 0.08 0.00 0.35 -1.23 0.00 0.00 177.57 176.77 2wb6 n THR 74 N -3.17 0.78 -0.22 7.19 -2.24 -0.77 -4.62 114.28 111.24 2wb6 n THR 74 Ca 0.02 -0.80 -0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2wb6 n THR 74 Cb 0.43 0.45 0.11 0.00 -2.10 0.00 0.00 70.33 69.22 2wb6 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wb6 h ARG 75 N 3.62 0.52 0.00 -0.78 2.43 -1.43 0.30 114.38 119.05 2wb6 h ARG 75 Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2wb6 h ARG 75 Cb 0.83 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2wb6 h ARG 75 CO 0.00 0.35 -0.49 -0.22 -1.51 0.00 0.00 179.97 178.09 2wb6 h LYS 76 N 0.54 0.00 0.00 0.20 3.64 -1.85 -2.60 116.57 116.50 2wb6 h LYS 76 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2wb6 h LYS 76 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2wb6 h LYS 76 CO -0.25 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.42 2wb6 h ALA 77 N 1.51 1.00 0.00 5.00 0.00 -1.27 -2.82 119.26 122.68 2wb6 h ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wb6 h ALA 77 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2wb6 h ALA 77 CO 0.06 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.94 2wb6 n LYS 78 N -2.81 0.02 0.25 0.00 5.02 -0.87 -1.26 118.16 118.51 2wb6 n LYS 78 Ca 0.01 0.28 0.09 0.00 -2.02 0.00 0.00 58.31 56.67 2wb6 n LYS 78 Cb 0.27 -1.55 0.63 0.00 -0.02 0.00 0.00 35.03 34.36 2wb6 n LYS 78 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wb6 h ASP 79 N 0.00 0.00 0.00 4.39 3.32 -1.67 -3.31 116.42 119.15 2wb6 h ASP 79 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wb6 h ASP 79 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2wb6 h ASP 79 CO 0.00 0.15 -0.61 0.29 -1.72 0.00 0.00 179.24 177.35 2wb6 n LYS 80 N -3.92 2.39 -4.11 3.56 5.02 -0.74 -4.98 118.16 115.39 2wb6 n LYS 80 Ca -0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 2wb6 n LYS 80 Cb 0.24 -0.79 -0.12 0.00 -0.02 0.00 0.00 35.03 34.35 2wb6 n LYS 80 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wb6 s PHE 81 N -1.50 0.79 -0.23 2.13 0.08 -0.39 -0.81 117.98 118.05 2wb6 s PHE 81 Ca 0.00 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.40 2wb6 s PHE 81 Cb 0.00 -0.47 -0.02 0.00 -0.57 0.00 0.00 43.02 41.96 2wb6 s PHE 81 CO 0.00 -0.04 0.62 -0.51 -0.10 0.00 0.00 175.22 175.19 2wb6 s LEU 82 N -1.47 4.10 -0.24 -0.37 1.43 0.67 -4.23 118.68 118.58 2wb6 s LEU 82 Ca -0.07 0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 2wb6 s LEU 82 Cb -0.09 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2wb6 s LEU 82 CO 0.01 -0.32 0.19 -0.69 0.23 0.00 0.00 176.35 175.77 2wb6 s VAL 83 N 2.21 5.34 0.18 -1.59 1.01 -1.26 -1.44 120.40 124.85 2wb6 s VAL 83 Ca 0.27 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 2wb6 s VAL 83 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2wb6 s VAL 83 CO 0.09 0.33 0.07 0.00 0.00 0.00 0.00 175.10 175.60 2wb6 s MET 84 N 1.11 1.12 0.22 2.72 0.23 -0.35 -5.03 119.30 119.32 2wb6 s MET 84 Ca 0.09 -1.57 -0.23 0.00 -1.03 0.00 0.00 55.69 52.96 2wb6 s MET 84 Cb -0.14 0.05 0.04 0.00 -1.53 0.00 0.00 34.83 33.26 2wb6 s MET 84 CO 0.05 -0.27 0.84 1.52 -2.03 0.00 0.00 175.02 175.13 2wb6 s TYR 85 N -3.94 -0.14 0.00 3.16 -0.85 -1.26 -0.51 117.35 113.80 2wb6 s TYR 85 Ca 0.30 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 2wb6 s TYR 85 Cb 0.07 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.09 2wb6 s TYR 85 CO 0.07 -1.05 0.00 0.27 -1.52 0.00 0.00 175.55 173.32 2wb6 n ASN 86 N -0.52 0.00 0.27 -0.18 0.23 -0.76 -5.00 115.26 109.30 2wb6 n ASN 86 Ca -0.05 -0.92 0.16 0.00 -0.53 0.00 0.00 54.58 53.24 2wb6 n ASN 86 Cb 0.60 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 39.04 2wb6 n ASN 86 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wb6 h GLU 87 N 0.00 0.00 0.14 -3.83 5.08 -2.04 -3.16 114.58 110.78 2wb6 h GLU 87 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2wb6 h GLU 87 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2wb6 h GLU 87 CO 0.00 0.08 -1.15 -0.22 -1.00 0.00 0.00 179.01 176.72 2wb6 h LYS 88 N 0.00 0.30 -2.59 2.33 3.64 -1.98 -3.44 116.57 114.84 2wb6 h LYS 88 Ca -0.00 -0.52 0.07 0.00 -1.27 0.00 0.00 60.65 58.93 2wb6 h LYS 88 Cb 0.42 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.31 2wb6 h LYS 88 CO 0.01 1.25 0.37 -1.83 -2.27 0.00 0.00 179.45 176.98 2wb6 s GLU 89 N -2.47 1.09 -0.14 1.90 -1.05 -1.19 -0.92 118.70 115.93 2wb6 s GLU 89 Ca -0.16 -0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 54.18 2wb6 s GLU 89 Cb 0.03 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2wb6 s GLU 89 CO 0.82 -0.48 -0.01 0.08 0.95 0.00 0.00 175.26 176.61 2wb6 s VAL 90 N -3.42 4.18 -0.14 1.83 1.01 0.28 -1.83 120.40 122.31 2wb6 s VAL 90 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2wb6 s VAL 90 Cb -0.01 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2wb6 s VAL 90 CO -0.08 0.52 -0.21 -0.89 0.00 0.00 0.00 175.10 174.44 2wb6 s THR 91 N -0.03 2.19 -0.21 3.92 2.01 0.33 -0.36 115.64 123.50 2wb6 s THR 91 Ca 0.03 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 2wb6 s THR 91 Cb -0.13 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 2wb6 s THR 91 CO 0.02 0.54 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.69 2wb6 s LEU 92 N 0.73 2.94 -0.18 4.42 1.43 0.51 -1.22 118.68 127.32 2wb6 s LEU 92 Ca -0.09 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 2wb6 s LEU 92 Cb -0.16 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2wb6 s LEU 92 CO 0.00 0.01 0.00 -0.69 0.23 0.00 0.00 176.35 175.91 2wb6 s VAL 93 N 1.28 4.18 0.27 -1.59 1.01 -0.52 -0.64 120.40 124.39 2wb6 s VAL 93 Ca 0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 2wb6 s VAL 93 Cb -0.14 -2.87 -0.12 0.00 0.00 0.00 0.00 36.38 33.24 2wb6 s VAL 93 CO -0.01 0.46 1.53 0.00 0.00 0.00 0.00 175.10 177.08 2wb6 n ALA 94 N 3.75 2.02 -1.78 5.51 0.00 0.10 -0.24 120.51 129.88 2wb6 n ALA 94 Ca -0.17 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 2wb6 n ALA 94 Cb 0.52 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 2wb6 n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wb6 s ARG 95 N -0.41 3.70 0.00 0.00 0.52 0.01 -4.76 118.95 118.02 2wb6 s ARG 95 Ca 0.66 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 2wb6 s ARG 95 Cb -0.55 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 32.64 2wb6 s ARG 95 CO 0.48 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.65