#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fh3 s ARG 2 N 0.00 2.22 0.04 7.34 3.03 0.28 -4.93 118.95 126.94 1fh3 s ARG 2 Ca 0.00 -2.05 0.06 0.00 2.03 0.00 0.00 55.73 55.77 1fh3 s ARG 2 Cb 0.00 -1.89 -0.02 0.00 -1.03 0.00 0.00 34.95 32.00 1fh3 s ARG 2 CO 0.00 -0.34 -0.16 -0.51 -1.13 0.00 0.00 175.30 173.16 1fh3 s ASP 3 N -4.01 1.90 0.31 -2.89 1.01 -1.26 -1.78 116.67 109.94 1fh3 s ASP 3 Ca 0.30 -0.49 -0.19 0.00 0.71 0.00 0.00 52.55 52.88 1fh3 s ASP 3 Cb 0.02 -0.13 0.05 0.00 1.01 0.00 0.00 42.92 43.86 1fh3 s ASP 3 CO 0.17 0.06 0.82 -0.83 0.21 0.00 0.00 175.17 175.60 1fh3 s GLY 4 N -1.19 0.16 0.03 0.21 0.00 -0.36 -4.97 107.32 101.21 1fh3 s GLY 4 Ca 0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 1fh3 s GLY 4 CO 0.01 0.11 0.96 -0.19 0.00 0.00 0.00 173.10 173.99 1fh3 s TYR 5 N -2.81 3.71 0.03 1.90 2.02 -1.26 -0.61 117.35 120.32 1fh3 s TYR 5 Ca 0.15 1.71 -0.18 0.00 -0.37 0.00 0.00 57.07 58.38 1fh3 s TYR 5 Cb -0.05 -3.08 -0.06 0.00 -0.40 0.00 0.00 41.96 38.37 1fh3 s TYR 5 CO 0.09 0.07 0.51 -1.50 -1.57 0.00 0.00 175.55 173.15 1fh3 s ILE 6 N 0.64 4.89 0.00 2.71 2.07 0.16 -3.60 121.20 128.07 1fh3 s ILE 6 Ca 0.49 1.07 0.00 0.00 -1.41 0.00 0.00 60.65 60.80 1fh3 s ILE 6 Cb -0.22 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.55 1fh3 s ILE 6 CO 0.28 0.54 0.00 0.00 -1.91 0.00 0.00 174.94 173.85 1fh3 n ALA 7 N 1.98 0.00 -3.00 1.50 0.00 -1.26 -2.70 120.51 117.02 1fh3 n ALA 7 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1fh3 n ALA 7 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1fh3 n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1fh3 s GLN 8 N 4.82 0.32 0.42 0.00 -0.21 -1.26 -4.02 119.66 119.73 1fh3 s GLN 8 Ca 0.00 -0.48 -0.25 0.00 0.02 0.00 0.00 55.36 54.65 1fh3 s GLN 8 Cb 0.00 0.12 -0.08 0.00 1.00 0.00 0.00 33.01 34.05 1fh3 s GLN 8 CO 0.00 -0.06 1.24 -2.14 -2.12 0.00 0.00 175.29 172.21 1fh3 s PRO 9 N -1.27 3.92 0.03 2.91 0.02 -1.26 -2.67 135.00 136.68 1fh3 s PRO 9 Ca -0.14 2.01 0.03 0.00 0.02 0.00 0.00 61.00 62.92 1fh3 s PRO 9 Cb -0.08 -2.66 -0.25 0.00 0.02 0.00 0.00 34.50 31.53 1fh3 s PRO 9 CO -0.00 -0.48 0.93 0.93 -0.33 0.00 0.00 177.00 178.05 1fh3 h GLU 10 N 2.51 0.13 -2.79 5.54 3.07 -1.94 -3.46 114.58 117.64 1fh3 h GLU 10 Ca -0.49 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.12 1fh3 h GLU 10 Cb 1.25 0.08 -0.13 0.00 -0.84 0.00 0.00 28.75 29.11 1fh3 h GLU 10 CO 0.62 0.96 0.22 1.21 -1.40 0.00 0.00 179.01 180.62 1fh3 s ASN 11 N -6.73 -0.57 0.00 1.42 2.47 -1.09 -4.52 114.94 105.92 1fh3 s ASN 11 Ca -0.05 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.34 1fh3 s ASN 11 Cb 0.08 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1fh3 s ASN 11 CO 0.84 -0.89 0.00 0.00 -3.72 0.00 0.00 177.10 173.33 1fh3 s VAL 13 N -3.75 0.94 0.00 0.00 -7.23 -1.26 -4.49 120.40 104.61 1fh3 s VAL 13 Ca 0.00 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1fh3 s VAL 13 Cb 0.00 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1fh3 s VAL 13 CO 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 1fh3 n TYR 14 N -0.49 0.00 -4.17 2.82 4.19 -1.10 -4.31 117.16 114.10 1fh3 n TYR 14 Ca -0.03 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.07 1fh3 n TYR 14 Cb 0.65 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.44 1fh3 n TYR 14 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1fh3 n HIS 15 N 0.00 -0.40 -4.08 2.98 8.25 -1.26 -4.35 115.22 116.36 1fh3 n HIS 15 Ca 0.00 -1.54 -0.12 0.00 -0.26 0.00 0.00 57.72 55.80 1fh3 n HIS 15 Cb 0.00 0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 1fh3 n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fh3 s PHE 17 N -3.61 1.39 -0.54 0.00 0.40 -1.26 -4.99 117.98 109.36 1fh3 s PHE 17 Ca 0.29 -0.58 -0.26 0.00 -0.60 0.00 0.00 56.93 55.78 1fh3 s PHE 17 Cb 0.01 -1.09 -0.08 0.00 0.51 0.00 0.00 43.02 42.37 1fh3 s PHE 17 CO 0.15 -0.36 2.41 -2.14 0.70 0.00 0.00 175.22 175.98 1fh3 s PRO 18 N 1.09 2.00 0.00 0.24 0.02 -1.26 -4.54 135.00 132.56 1fh3 s PRO 18 Ca -0.07 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.21 1fh3 s PRO 18 Cb -0.14 -4.62 0.00 0.00 0.02 0.00 0.00 34.50 29.76 1fh3 s PRO 18 CO -0.01 -3.49 0.00 0.41 -0.33 0.00 0.00 177.00 173.58 1fh3 n GLY 19 N 6.14 -1.12 0.12 0.52 0.00 -1.26 -5.01 105.19 104.59 1fh3 n GLY 19 Ca 0.38 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1fh3 n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fh3 n SER 20 N 2.10 1.98 0.00 1.61 3.41 -1.26 -4.68 113.62 116.78 1fh3 n SER 20 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1fh3 n SER 20 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1fh3 n SER 20 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fh3 n SER 21 N -3.96 0.00 -0.02 4.04 7.64 -1.26 0.47 113.62 120.53 1fh3 n SER 21 Ca -0.35 0.95 -0.11 0.00 1.01 0.00 0.00 58.87 60.37 1fh3 n SER 21 Cb 0.87 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1fh3 n SER 21 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1fh3 h GLY 22 N 0.00 0.71 0.76 0.23 0.00 -1.90 -1.61 103.07 101.26 1fh3 h GLY 22 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1fh3 h GLY 22 CO 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 176.54 177.25 1fh3 h ASP 24 N -0.40 0.98 -0.27 0.00 3.58 0.05 0.28 116.42 120.65 1fh3 h ASP 24 Ca -0.02 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.37 1fh3 h ASP 24 Cb 0.33 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1fh3 h ASP 24 CO 0.03 0.78 0.14 0.74 -2.88 0.00 0.00 179.24 178.04 1fh3 h THR 25 N 1.11 1.01 -0.49 2.25 2.02 -1.14 0.16 112.91 117.83 1fh3 h THR 25 Ca 0.29 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1fh3 h THR 25 Cb -0.01 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1fh3 h THR 25 CO -0.05 0.05 0.02 -0.07 0.37 0.00 0.00 175.52 175.84 1fh3 h LEU 26 N 0.30 0.82 -0.23 2.58 3.38 -0.39 -1.48 115.31 120.30 1fh3 h LEU 26 Ca 0.11 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1fh3 h LEU 26 Cb 0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1fh3 h LEU 26 CO -0.07 0.92 -0.02 0.00 0.09 0.00 0.00 178.44 179.37 1fh3 h LYS 28 N 0.05 0.53 0.00 0.00 1.57 -0.34 -0.54 116.57 117.84 1fh3 h LYS 28 Ca 0.11 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1fh3 h LYS 28 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1fh3 h LYS 28 CO -0.20 0.86 0.00 -0.85 -0.57 0.00 0.00 179.45 178.69 1fh3 n GLU 29 N -4.02 0.54 -0.18 3.15 0.28 -0.59 -0.89 120.64 118.94 1fh3 n GLU 29 Ca -0.02 0.04 0.07 0.00 -0.16 0.00 0.00 57.16 57.09 1fh3 n GLU 29 Cb 0.53 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 32.07 1fh3 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1fh3 n LYS 30 N -1.13 2.40 -0.62 3.44 4.76 -0.82 -4.96 118.16 121.22 1fh3 n LYS 30 Ca 0.14 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.55 1fh3 n LYS 30 Cb 0.13 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1fh3 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fh3 n GLY 31 N 0.86 1.16 3.73 0.72 0.00 -0.07 -4.86 105.19 106.74 1fh3 n GLY 31 Ca 0.14 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1fh3 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fh3 s GLY 32 N -2.38 2.76 0.06 -0.02 0.00 -0.27 -4.27 107.32 103.19 1fh3 s GLY 32 Ca 0.00 0.27 0.23 0.00 0.00 0.00 0.00 44.72 45.21 1fh3 s GLY 32 CO 0.00 1.17 0.98 2.41 0.00 0.00 0.00 173.10 177.65 1fh3 n THR 33 N 3.15 0.22 -3.81 0.90 -1.04 -0.38 -4.11 114.28 109.21 1fh3 n THR 33 Ca -0.01 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.05 61.60 1fh3 n THR 33 Cb 0.51 0.11 0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1fh3 n THR 33 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1fh3 s SER 34 N -4.19 0.02 0.03 8.00 0.01 -0.88 -5.00 113.70 111.69 1fh3 s SER 34 Ca 0.02 -1.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.05 1fh3 s SER 34 Cb 0.14 0.83 0.03 0.00 0.21 0.00 0.00 66.02 67.23 1fh3 s SER 34 CO 0.81 -1.66 0.45 0.61 0.41 0.00 0.00 173.24 173.86 1fh3 n GLY 35 N -0.55 0.76 0.00 3.44 0.00 -1.26 -0.35 105.19 107.24 1fh3 n GLY 35 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1fh3 n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fh3 n HIS 36 N -0.32 -0.22 -4.22 1.61 8.25 -0.82 -4.84 115.22 114.66 1fh3 n HIS 36 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1fh3 n HIS 36 Cb 0.23 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 1fh3 n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fh3 n GLY 38 N -0.21 0.53 3.19 0.00 0.00 -1.24 -4.68 105.19 102.77 1fh3 n GLY 38 Ca -0.06 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1fh3 n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fh3 s PHE 39 N -2.28 -0.22 -0.23 1.61 2.19 -1.26 -2.91 117.98 114.87 1fh3 s PHE 39 Ca 0.00 0.49 0.00 0.00 0.33 0.00 0.00 56.93 57.75 1fh3 s PHE 39 Cb 0.00 0.08 0.06 0.00 -1.31 0.00 0.00 43.02 41.85 1fh3 s PHE 39 CO 0.00 -0.25 -0.04 0.21 1.83 0.00 0.00 175.22 176.97 1fh3 s LYS 40 N -0.55 1.49 0.22 10.12 2.20 0.12 -4.87 119.74 128.46 1fh3 s LYS 40 Ca -0.07 -0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 54.33 1fh3 s LYS 40 Cb -0.04 -2.52 -0.09 0.00 -1.51 0.00 0.00 37.83 33.67 1fh3 s LYS 40 CO 0.02 -0.61 1.22 0.08 -0.36 0.00 0.00 175.35 175.70 1fh3 s VAL 41 N 1.46 3.40 0.00 4.02 1.01 -1.26 -1.00 120.40 128.02 1fh3 s VAL 41 Ca -0.05 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1fh3 s VAL 41 Cb -0.19 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1fh3 s VAL 41 CO -0.06 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1fh3 n GLY 42 N 1.94 1.55 0.81 4.51 0.00 -1.26 -4.84 105.19 107.91 1fh3 n GLY 42 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1fh3 n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fh3 n HIS 43 N 0.00 0.00 -1.20 1.61 8.25 -0.89 -5.11 115.22 117.87 1fh3 n HIS 43 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fh3 n HIS 43 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fh3 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fh3 n GLY 44 N 3.27 -0.50 3.76 -1.41 0.00 -0.17 -5.04 105.19 105.10 1fh3 n GLY 44 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1fh3 n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fh3 s LEU 45 N 0.00 4.43 0.33 0.99 2.96 -1.26 -0.71 118.68 125.42 1fh3 s LEU 45 Ca 0.00 2.60 0.02 0.00 -0.22 0.00 0.00 54.13 56.52 1fh3 s LEU 45 Cb 0.00 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1fh3 s LEU 45 CO 0.00 -0.54 0.38 0.00 -1.32 0.00 0.00 176.35 174.87 1fh3 s ALA 46 N -0.67 1.23 0.36 5.97 0.00 -1.15 -4.25 121.76 123.25 1fh3 s ALA 46 Ca 0.52 -1.75 0.09 0.00 0.00 0.00 0.00 51.96 50.82 1fh3 s ALA 46 Cb -0.39 1.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 1fh3 s ALA 46 CO 0.47 -0.73 -0.03 0.00 0.00 0.00 0.00 175.76 175.48 1fh3 s TRP 48 N -2.59 1.47 0.04 0.00 -0.11 -1.03 0.36 118.94 117.09 1fh3 s TRP 48 Ca 0.34 -0.39 0.03 0.00 1.22 0.00 0.00 56.10 57.30 1fh3 s TRP 48 Cb 0.03 -0.86 -0.02 0.00 -1.50 0.00 0.00 33.47 31.12 1fh3 s TRP 48 CO 0.18 0.08 -0.09 0.00 -4.62 0.00 0.00 176.95 172.50 1fh3 s ASN 50 N -1.50 3.28 -0.55 0.00 -0.87 0.53 -1.22 114.94 114.60 1fh3 s ASN 50 Ca -0.08 -0.44 -0.13 0.00 -1.57 0.00 0.00 52.86 50.64 1fh3 s ASN 50 Cb -0.09 -0.79 0.02 0.00 -0.02 0.00 0.00 41.25 40.36 1fh3 s ASN 50 CO 0.01 0.27 0.64 0.00 -2.57 0.00 0.00 177.10 175.45 1fh3 n ALA 51 N 2.78 -2.75 -2.74 0.60 0.00 -0.86 -1.25 120.51 116.29 1fh3 n ALA 51 Ca -0.17 0.62 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 1fh3 n ALA 51 Cb 0.52 -2.70 -0.08 0.00 0.00 0.00 0.00 19.45 17.19 1fh3 n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fh3 s LEU 52 N -3.17 3.79 0.90 0.00 1.43 -0.74 -1.92 118.68 118.97 1fh3 s LEU 52 Ca 0.18 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1fh3 s LEU 52 Cb -0.04 -1.96 0.13 0.00 0.03 0.00 0.00 46.19 44.35 1fh3 s LEU 52 CO 0.79 0.36 1.09 -2.16 0.23 0.00 0.00 176.35 176.66 1fh3 s PRO 53 N -1.10 1.23 0.00 1.29 0.04 -1.26 -0.55 135.00 134.65 1fh3 s PRO 53 Ca 0.16 0.82 0.30 0.00 0.04 0.00 0.00 61.00 62.32 1fh3 s PRO 53 Cb -0.12 -1.81 1.56 0.00 0.04 0.00 0.00 34.50 34.18 1fh3 s PRO 53 CO 0.05 -2.26 2.04 -0.25 0.04 0.00 0.00 177.00 176.63 1fh3 n ASP 54 N -3.89 0.37 -0.33 6.66 8.00 -1.26 -2.43 116.55 123.67 1fh3 n ASP 54 Ca 0.07 -0.90 0.14 0.00 0.71 0.00 0.00 54.79 54.80 1fh3 n ASP 54 Cb 0.55 -0.05 0.53 0.00 -0.02 0.00 0.00 41.12 42.14 1fh3 n ASP 54 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1fh3 n ASN 55 N -0.81 1.10 -4.78 -2.24 6.94 -1.26 -4.77 115.26 109.45 1fh3 n ASN 55 Ca 0.20 -1.17 -0.37 0.00 -0.02 0.00 0.00 54.58 53.22 1fh3 n ASN 55 Cb 0.21 0.03 -0.07 0.00 -2.36 0.00 0.00 39.78 37.59 1fh3 n ASN 55 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1fh3 s VAL 56 N -2.20 5.25 0.05 3.53 1.01 -1.02 -5.07 120.40 121.95 1fh3 s VAL 56 Ca 0.34 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1fh3 s VAL 56 Cb 0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1fh3 s VAL 56 CO 0.41 0.47 0.08 -0.83 0.00 0.00 0.00 175.10 175.23 1fh3 s GLY 57 N -0.19 2.02 0.00 4.51 0.00 -1.26 -4.97 107.32 107.43 1fh3 s GLY 57 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1fh3 s GLY 57 CO 0.07 -0.90 0.00 0.29 0.00 0.00 0.00 173.10 172.56 1fh3 n ILE 58 N 0.70 0.00 -2.40 0.90 -5.35 -1.26 -4.30 119.36 107.65 1fh3 n ILE 58 Ca -0.10 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 1fh3 n ILE 58 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 1fh3 n ILE 58 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1fh3 s ILE 59 N 1.26 3.88 0.20 7.28 -1.09 -1.24 -4.42 121.20 127.08 1fh3 s ILE 59 Ca 0.00 1.41 0.11 0.00 -2.23 0.00 0.00 60.65 59.94 1fh3 s ILE 59 Cb 0.00 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1fh3 s ILE 59 CO 0.00 0.14 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.93 1fh3 s VAL 60 N 0.76 2.32 0.18 2.92 1.01 -1.26 -5.04 120.40 121.28 1fh3 s VAL 60 Ca 0.57 -2.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.25 1fh3 s VAL 60 Cb -0.31 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.02 1fh3 s VAL 60 CO 0.31 -0.17 0.63 -0.70 0.00 0.00 0.00 175.10 175.16 1fh3 s GLU 61 N -2.80 1.35 -0.21 2.72 2.12 -1.26 -4.63 118.70 116.00 1fh3 s GLU 61 Ca 0.21 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 1fh3 s GLU 61 Cb -0.07 0.59 0.00 0.00 0.26 0.00 0.00 34.13 34.91 1fh3 s GLU 61 CO 0.10 -0.60 0.04 0.41 -0.54 0.00 0.00 175.26 174.68 1fh3 n GLY 62 N -0.39 0.41 0.93 -1.50 0.00 -1.26 -4.96 105.19 98.42 1fh3 n GLY 62 Ca -0.15 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.16 1fh3 n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fh3 n GLU 63 N -1.20 0.03 -3.83 1.61 4.07 -1.26 -5.19 120.64 114.87 1fh3 n GLU 63 Ca -0.02 -0.16 -0.05 0.00 -0.06 0.00 0.00 57.16 56.87 1fh3 n GLU 63 Cb 0.52 0.27 0.01 0.00 -0.06 0.00 0.00 31.44 32.18 1fh3 n GLU 63 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1fh3 s LYS 64 N -2.00 1.64 0.26 5.31 0.00 -1.26 -5.07 119.74 118.61 1fh3 s LYS 64 Ca 0.07 -1.02 -0.31 0.00 0.00 0.00 0.00 55.97 54.72 1fh3 s LYS 64 Cb -0.00 0.48 -0.12 0.00 0.00 0.00 0.00 37.83 38.20 1fh3 s LYS 64 CO -0.00 -0.76 1.66 0.00 0.00 0.00 0.00 175.35 176.24 1fh3 n HIS 66 N 2.92 0.00 1.76 0.00 8.25 0.16 -4.90 115.22 123.41 1fh3 n HIS 66 Ca 0.11 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.71 1fh3 n HIS 66 Cb 0.36 0.04 0.83 0.00 1.12 0.00 0.00 29.99 32.34 1fh3 n HIS 66 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41