#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n LYS 3 N 0.00 2.94 0.00 0.00 4.01 -1.26 -5.04 118.16 118.80 3cf5 n LYS 3 Ca 0.00 -3.70 0.00 0.00 -0.51 0.00 0.00 58.31 54.10 3cf5 n LYS 3 Cb 0.00 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 32.35 3cf5 n LYS 3 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3cf5 n HIS 4 N -0.87 0.00 -1.68 2.13 8.25 -1.26 -4.20 115.22 117.60 3cf5 n HIS 4 Ca 0.47 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.59 3cf5 n HIS 4 Cb 0.90 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.07 3cf5 n HIS 4 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3cf5 s PRO 5 N 0.00 2.59 -0.02 -0.41 0.02 -1.26 -5.00 135.00 130.92 3cf5 s PRO 5 Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 61.00 62.30 3cf5 s PRO 5 Cb 0.00 -1.91 0.10 0.00 0.02 0.00 0.00 34.50 32.71 3cf5 s PRO 5 CO 0.00 -1.44 0.84 0.08 -0.33 0.00 0.00 177.00 176.14 3cf5 s VAL 6 N -2.13 0.00 0.25 3.83 1.01 -1.26 -5.17 120.40 116.93 3cf5 s VAL 6 Ca 0.71 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 3cf5 s VAL 6 Cb -0.24 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 3cf5 s VAL 6 CO 0.41 0.00 0.94 -2.16 0.00 0.00 0.00 175.10 174.30 3cf5 s PRO 7 N -2.44 4.82 0.39 2.72 0.04 -1.26 -5.01 135.00 134.25 3cf5 s PRO 7 Ca 0.00 1.47 0.21 0.00 0.04 0.00 0.00 61.00 62.72 3cf5 s PRO 7 Cb -0.01 -3.21 0.56 0.00 0.04 0.00 0.00 34.50 31.89 3cf5 s PRO 7 CO -0.04 0.48 1.67 0.87 0.04 0.00 0.00 177.00 180.02 3cf5 h LYS 8 N 4.00 0.00 -3.35 4.56 1.79 -2.04 -3.47 116.57 118.06 3cf5 h LYS 8 Ca -0.45 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.00 3cf5 h LYS 8 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.75 3cf5 h LYS 8 CO 0.68 0.28 0.02 0.15 -1.08 0.00 0.00 179.45 179.49 3cf5 s LYS 9 N -3.35 1.44 0.51 3.15 -0.14 -1.26 -5.14 119.74 114.95 3cf5 s LYS 9 Ca 0.03 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.48 3cf5 s LYS 9 Cb 0.09 0.52 -0.07 0.00 -1.68 0.00 0.00 37.83 36.68 3cf5 s LYS 9 CO 0.68 -0.62 1.09 0.21 -0.76 0.00 0.00 175.35 175.95 3cf5 s LYS 10 N -3.91 3.60 -0.02 1.68 2.20 -1.26 -4.99 119.74 117.04 3cf5 s LYS 10 Ca 0.12 1.50 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 3cf5 s LYS 10 Cb -0.01 -2.07 -0.05 0.00 -1.51 0.00 0.00 37.83 34.18 3cf5 s LYS 10 CO 0.00 -0.63 0.46 0.95 -0.36 0.00 0.00 175.35 175.78 3cf5 s THR 11 N -1.85 5.01 0.12 3.43 -4.23 -1.26 -5.00 115.64 111.85 3cf5 s THR 11 Ca 0.70 0.95 -0.35 0.00 -1.18 0.00 0.00 61.69 61.81 3cf5 s THR 11 Cb -0.21 -3.78 -0.17 0.00 1.34 0.00 0.00 72.50 69.68 3cf5 s THR 11 CO 0.24 0.50 1.16 -1.20 -0.54 0.00 0.00 174.62 174.78 3cf5 n SER 12 N 2.35 1.01 -0.11 3.99 7.64 -1.26 -4.64 113.62 122.60 3cf5 n SER 12 Ca -0.11 1.14 0.26 0.00 1.01 0.00 0.00 58.87 61.17 3cf5 n SER 12 Cb 0.52 -1.14 0.72 0.00 -1.01 0.00 0.00 64.21 63.30 3cf5 n SER 12 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3cf5 h LYS 13 N 3.51 0.00 0.40 1.43 1.57 -1.99 0.84 116.57 122.34 3cf5 h LYS 13 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3cf5 h LYS 13 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3cf5 h LYS 13 CO 0.71 0.00 -0.19 1.03 -0.57 0.00 0.00 179.45 180.42 3cf5 h SER 14 N 0.00 -0.46 -0.97 0.86 0.87 -2.00 -3.02 113.55 108.83 3cf5 h SER 14 Ca 0.37 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.89 3cf5 h SER 14 Cb 1.59 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 63.60 3cf5 h SER 14 CO -0.00 -0.04 0.63 0.50 -0.53 0.00 0.00 176.83 177.38 3cf5 h LYS 15 N -0.99 1.05 -0.29 2.24 1.63 -1.07 0.45 116.57 119.60 3cf5 h LYS 15 Ca -0.06 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.75 3cf5 h LYS 15 Cb 0.54 -0.24 -0.08 0.00 -0.60 0.00 0.00 32.23 31.86 3cf5 h LYS 15 CO 0.09 0.70 -0.24 -0.09 -3.45 0.00 0.00 179.45 176.45 3cf5 h ARG 16 N 1.08 -0.22 -0.13 1.90 2.43 0.53 -2.15 114.38 117.82 3cf5 h ARG 16 Ca 0.43 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 3cf5 h ARG 16 Cb 0.26 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3cf5 h ARG 16 CO -0.18 -0.15 0.04 -0.44 -1.51 0.00 0.00 179.97 177.73 3cf5 h ASP 17 N -0.23 0.19 -0.76 -3.80 5.19 -0.85 -2.89 116.42 113.27 3cf5 h ASP 17 Ca 0.15 -0.22 0.30 0.00 -0.62 0.00 0.00 57.03 56.64 3cf5 h ASP 17 Cb 0.46 -0.05 -0.12 0.00 0.18 0.00 0.00 39.33 39.80 3cf5 h ASP 17 CO -0.42 0.36 0.44 0.23 -3.12 0.00 0.00 179.24 176.73 3cf5 n MET 18 N -4.85 -0.04 -0.07 3.56 2.81 0.14 -0.23 117.12 118.43 3cf5 n MET 18 Ca -0.05 0.94 -0.08 0.00 -1.81 0.00 0.00 57.70 56.69 3cf5 n MET 18 Cb 0.15 -1.72 -0.05 0.00 -0.71 0.00 0.00 33.22 30.89 3cf5 n MET 18 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 3cf5 h ARG 19 N 0.00 0.00 0.00 0.03 0.11 -1.37 -3.32 114.38 109.83 3cf5 h ARG 19 Ca 0.60 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.68 3cf5 h ARG 19 Cb 1.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.75 3cf5 h ARG 19 CO -0.48 0.38 0.00 0.54 0.10 0.00 0.00 179.97 180.51 3cf5 n ARG 20 N -4.64 0.00 0.00 0.08 1.74 0.67 -2.85 116.66 111.67 3cf5 n ARG 20 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3cf5 n ARG 20 Cb 0.30 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3cf5 n ARG 20 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3cf5 n SER 21 N -0.62 0.99 -0.00 0.55 3.41 -0.99 -2.16 113.62 114.79 3cf5 n SER 21 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 3cf5 n SER 21 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3cf5 n SER 21 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3cf5 n HIS 22 N 0.40 0.00 -0.32 7.33 8.25 -1.13 -4.86 115.22 124.89 3cf5 n HIS 22 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3cf5 n HIS 22 Cb 0.19 0.02 0.32 0.00 1.12 0.00 0.00 29.99 31.65 3cf5 n HIS 22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3cf5 n HIS 23 N 0.00 0.96 -2.35 4.41 -0.00 -0.92 -4.93 115.22 112.39 3cf5 n HIS 23 Ca 0.00 -0.48 -0.43 0.00 -0.00 0.00 0.00 57.72 56.81 3cf5 n HIS 23 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.47 3cf5 n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cf5 s ALA 24 N -1.04 3.30 0.23 -1.41 0.00 -1.26 -4.97 121.76 116.61 3cf5 s ALA 24 Ca 0.49 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 3cf5 s ALA 24 Cb 0.26 -3.81 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 3cf5 s ALA 24 CO 0.34 -1.89 1.69 -0.51 0.00 0.00 0.00 175.76 175.38 3cf5 s LEU 25 N 4.69 4.36 0.42 0.00 1.02 -1.26 -4.99 118.68 122.93 3cf5 s LEU 25 Ca 0.60 2.89 -0.20 0.00 0.02 0.00 0.00 54.13 57.44 3cf5 s LEU 25 Cb -0.18 -3.61 -0.11 0.00 0.02 0.00 0.00 46.19 42.32 3cf5 s LEU 25 CO 0.26 -0.96 0.93 0.42 0.02 0.00 0.00 176.35 177.02 3cf5 s THR 26 N 0.85 4.42 0.17 5.49 -4.23 -1.26 -5.03 115.64 116.05 3cf5 s THR 26 Ca 0.72 1.43 0.03 0.00 -1.18 0.00 0.00 61.69 62.69 3cf5 s THR 26 Cb -0.49 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 3cf5 s THR 26 CO 0.36 -0.32 0.31 0.00 -0.54 0.00 0.00 174.62 174.43 3cf5 s ALA 27 N -2.18 3.95 0.44 3.99 0.00 -1.26 -5.04 121.76 121.67 3cf5 s ALA 27 Ca 0.61 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 3cf5 s ALA 27 Cb -0.09 -1.78 -0.11 0.00 0.00 0.00 0.00 23.12 21.13 3cf5 s ALA 27 CO 0.14 0.47 0.71 -2.30 0.00 0.00 0.00 175.76 174.78 3cf5 n PRO 28 N -0.73 0.81 -3.24 0.00 -0.02 -1.26 -4.87 135.00 125.69 3cf5 n PRO 28 Ca -0.07 0.30 -0.45 0.00 -2.02 0.00 0.00 63.50 61.25 3cf5 n PRO 28 Cb 0.55 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.30 3cf5 n PRO 28 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3cf5 s ASN 29 N -0.92 7.15 0.66 2.55 3.04 -1.26 -5.02 114.94 121.14 3cf5 s ASN 29 Ca 0.64 -3.25 -0.15 0.00 0.04 0.00 0.00 52.86 50.14 3cf5 s ASN 29 Cb -0.57 -2.26 0.00 0.00 -1.54 0.00 0.00 41.25 36.89 3cf5 s ASN 29 CO 0.57 -0.46 1.12 -0.76 -3.04 0.00 0.00 177.10 174.53 3cf5 s LEU 30 N -0.29 3.40 0.22 3.21 1.43 -1.26 -4.49 118.68 120.91 3cf5 s LEU 30 Ca 0.31 2.05 0.05 0.00 -1.03 0.00 0.00 54.13 55.51 3cf5 s LEU 30 Cb -0.08 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.53 3cf5 s LEU 30 CO -0.07 -1.68 -0.05 -0.89 0.23 0.00 0.00 176.35 173.89 3cf5 s THR 31 N -2.26 1.29 -0.17 5.49 2.01 0.02 -4.95 115.64 117.07 3cf5 s THR 31 Ca 0.68 -2.08 -0.08 0.00 0.31 0.00 0.00 61.69 60.52 3cf5 s THR 31 Cb -0.22 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3cf5 s THR 31 CO 0.41 -0.44 0.11 -0.70 -0.69 0.00 0.00 174.62 173.31 3cf5 s GLU 32 N -3.78 3.85 0.73 4.92 2.12 -1.26 0.88 118.70 126.16 3cf5 s GLU 32 Ca 0.26 -0.24 -0.16 0.00 0.36 0.00 0.00 54.97 55.19 3cf5 s GLU 32 Cb 0.04 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 31.20 3cf5 s GLU 32 CO 0.08 0.45 1.26 0.00 -0.54 0.00 0.00 175.26 176.50 3cf5 n PRO 34 N -2.58 0.04 -2.84 0.00 -0.04 -1.26 -4.00 135.00 124.32 3cf5 n PRO 34 Ca 0.15 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 3cf5 n PRO 34 Cb 0.49 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3cf5 n PRO 34 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3cf5 n GLN 35 N -1.60 1.12 0.00 0.54 1.13 -1.26 -4.77 117.38 112.53 3cf5 n GLN 35 Ca 0.06 -3.32 0.00 0.00 -1.94 0.00 0.00 57.00 51.80 3cf5 n GLN 35 Cb 0.35 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3cf5 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf5 n HIS 37 N 0.00 0.00 -0.23 0.00 8.25 -1.26 -4.93 115.22 117.06 3cf5 n HIS 37 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3cf5 n HIS 37 Cb 0.00 -0.90 0.16 0.00 1.12 0.00 0.00 29.99 30.37 3cf5 n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cf5 n GLY 38 N -0.85 -3.05 3.74 -1.41 0.00 -1.26 -3.80 105.19 98.55 3cf5 n GLY 38 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 3cf5 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 s LYS 39 N -3.75 3.91 0.42 1.61 1.02 -1.26 -0.92 119.74 120.76 3cf5 s LYS 39 Ca 0.36 -0.24 0.08 0.00 0.02 0.00 0.00 55.97 56.18 3cf5 s LYS 39 Cb -0.06 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3cf5 s LYS 39 CO 0.30 0.42 0.41 -1.59 -0.92 0.00 0.00 175.35 173.97 3cf5 s LYS 40 N -0.01 2.59 -0.31 1.68 -2.85 0.25 -4.82 119.74 116.27 3cf5 s LYS 40 Ca 0.09 -1.47 -0.10 0.00 -1.00 0.00 0.00 55.97 53.48 3cf5 s LYS 40 Cb -0.12 -2.45 -0.01 0.00 -2.06 0.00 0.00 37.83 33.19 3cf5 s LYS 40 CO 0.00 -0.20 0.16 -1.17 0.10 0.00 0.00 175.35 174.24 3cf5 s LEU 41 N -4.17 4.12 -0.12 2.77 2.96 -1.26 -0.80 118.68 122.18 3cf5 s LEU 41 Ca 0.49 -0.49 -0.37 0.00 -0.22 0.00 0.00 54.13 53.54 3cf5 s LEU 41 Cb -0.05 -2.02 -0.18 0.00 0.50 0.00 0.00 46.19 44.45 3cf5 s LEU 41 CO 0.29 -0.19 1.08 -0.24 -1.32 0.00 0.00 176.35 175.97 3cf5 n SER 42 N 4.99 0.28 -0.16 3.68 2.88 -1.26 -1.69 113.62 122.34 3cf5 n SER 42 Ca -0.14 1.04 -0.02 0.00 -1.33 0.00 0.00 58.87 58.42 3cf5 n SER 42 Cb 0.49 -0.81 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 3cf5 n SER 42 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3cf5 n HIS 43 N 1.93 0.00 -4.41 0.66 8.25 -1.26 -5.04 115.22 115.35 3cf5 n HIS 43 Ca 0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.46 3cf5 n HIS 43 Cb 0.04 -0.73 -0.10 0.00 1.12 0.00 0.00 29.99 30.32 3cf5 n HIS 43 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3cf5 s HIS 44 N -2.01 1.77 -0.02 4.41 3.76 -0.68 -5.12 115.29 117.40 3cf5 s HIS 44 Ca 0.00 -1.12 -0.30 0.00 -0.15 0.00 0.00 55.06 53.49 3cf5 s HIS 44 Cb 0.00 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.55 3cf5 s HIS 44 CO 0.00 -0.20 1.16 0.42 -0.85 0.00 0.00 174.74 175.27 3cf5 s ILE 45 N -3.45 4.31 -0.54 0.60 1.01 -1.26 -4.75 121.20 117.12 3cf5 s ILE 45 Ca 0.35 1.64 -0.28 0.00 0.00 0.00 0.00 60.65 62.36 3cf5 s ILE 45 Cb 0.07 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.39 3cf5 s ILE 45 CO 0.15 0.05 2.43 0.00 0.00 0.00 0.00 174.94 177.57 3cf5 n PRO 47 N 8.85 -0.06 0.19 0.00 -0.04 -1.26 0.70 135.00 143.38 3cf5 n PRO 47 Ca 0.41 1.33 -0.12 0.00 -0.04 0.00 0.00 63.50 65.08 3cf5 n PRO 47 Cb 0.44 -2.23 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 3cf5 n PRO 47 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3cf5 h ASN 48 N 0.00 -0.45 0.24 3.54 2.35 -1.93 -3.34 115.58 115.99 3cf5 h ASN 48 Ca 0.66 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 3cf5 h ASN 48 Cb 1.59 0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.07 3cf5 h ASN 48 CO -0.79 -0.05 -1.04 0.00 -1.65 0.00 0.00 177.43 173.90 3cf5 n GLY 50 N 1.42 0.22 4.01 0.00 0.00 0.22 -4.39 105.19 106.67 3cf5 n GLY 50 Ca 0.03 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 3cf5 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cf5 s TYR 51 N -2.18 1.93 -0.20 1.61 1.51 -1.24 -1.06 117.35 117.71 3cf5 s TYR 51 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3cf5 s TYR 51 Cb 0.00 -2.59 0.01 0.00 -0.11 0.00 0.00 41.96 39.27 3cf5 s TYR 51 CO 0.00 -1.18 0.84 0.98 -1.11 0.00 0.00 175.55 175.08 3cf5 n TYR 52 N -2.39 -0.05 0.00 2.71 9.36 -1.26 -2.30 117.16 123.23 3cf5 n TYR 52 Ca 0.13 -0.35 0.00 0.00 3.32 0.00 0.00 57.90 61.00 3cf5 n TYR 52 Cb 0.61 0.92 0.00 0.00 -0.63 0.00 0.00 39.34 40.23 3cf5 n TYR 52 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3cf5 n ASP 53 N -0.34 0.00 -1.82 2.98 8.00 -1.26 -4.96 116.55 119.15 3cf5 n ASP 53 Ca -0.20 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.28 3cf5 n ASP 53 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3cf5 n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cf5 n GLY 54 N 0.00 4.09 3.29 0.44 0.00 -1.26 -5.10 105.19 106.64 3cf5 n GLY 54 Ca 0.00 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 3cf5 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cf5 s ARG 55 N -2.11 2.85 0.00 1.61 3.52 -1.26 -4.23 118.95 119.33 3cf5 s ARG 55 Ca 0.01 -1.72 0.00 0.00 -0.13 0.00 0.00 55.73 53.89 3cf5 s ARG 55 Cb 0.00 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 3cf5 s ARG 55 CO 0.01 -1.29 0.22 1.04 -0.81 0.00 0.00 175.30 174.47 3cf5 n GLN 56 N 5.16 0.00 -1.12 5.12 3.00 -0.22 -4.84 117.38 124.47 3cf5 n GLN 56 Ca -0.12 0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 3cf5 n GLN 56 Cb 0.40 -0.80 0.13 0.00 0.00 0.00 0.00 30.24 29.97 3cf5 n GLN 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3cf5 s VAL 57 N -0.70 2.75 -0.32 5.09 1.01 -0.96 -4.94 120.40 122.32 3cf5 s VAL 57 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 3cf5 s VAL 57 Cb 0.00 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3cf5 s VAL 57 CO 0.00 -0.32 0.71 -0.76 0.00 0.00 0.00 175.10 174.73 3cf5 s LEU 58 N -6.24 4.14 0.00 3.92 1.02 -1.26 -4.70 118.68 115.56 3cf5 s LEU 58 Ca 0.63 0.46 0.00 0.00 0.02 0.00 0.00 54.13 55.24 3cf5 s LEU 58 Cb -0.19 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.08 3cf5 s LEU 58 CO 0.57 -0.59 0.00 0.00 0.02 0.00 0.00 176.35 176.36