#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 2.32 0.02 7.34 3.00 0.14 -4.90 118.95 126.87 1fh3 s ARG 2 Ca 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 55.73 53.98 1fh3 s ARG 2 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 34.95 32.83 1fh3 s ARG 2 CO 0.00 -0.21 -0.12 -0.51 0.00 0.00 0.00 175.30 174.46 1fh3 s ASP 3 N -4.02 1.37 0.35 0.23 1.01 -1.26 -0.83 116.67 113.51 1fh3 s ASP 3 Ca 0.41 -0.36 -0.16 0.00 0.71 0.00 0.00 52.55 53.15 1fh3 s ASP 3 Cb 0.01 -0.10 0.06 0.00 1.01 0.00 0.00 42.92 43.91 1fh3 s ASP 3 CO 0.24 0.04 0.83 0.61 0.21 0.00 0.00 175.17 177.09 1fh3 n GLY 4 N 2.19 0.91 3.72 0.21 0.00 -0.92 -4.99 105.19 106.33 1fh3 n GLY 4 Ca -0.17 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1fh3 n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fh3 s TYR 5 N -2.22 3.77 -0.02 1.61 2.02 -1.26 -1.62 117.35 119.63 1fh3 s TYR 5 Ca 0.17 1.75 -0.19 0.00 -0.37 0.00 0.00 57.07 58.43 1fh3 s TYR 5 Cb -0.04 -3.05 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1fh3 s TYR 5 CO 0.10 0.16 0.53 -1.50 -1.57 0.00 0.00 175.55 173.27 1fh3 s ILE 6 N 0.26 4.98 0.00 2.71 2.07 0.19 -3.52 121.20 127.88 1fh3 s ILE 6 Ca 0.48 1.10 0.00 0.00 -1.41 0.00 0.00 60.65 60.82 1fh3 s ILE 6 Cb -0.22 -3.86 0.00 0.00 0.13 0.00 0.00 42.46 38.50 1fh3 s ILE 6 CO 0.29 0.44 0.00 0.00 -1.91 0.00 0.00 174.94 173.76 1fh3 n ALA 7 N 2.69 0.00 -2.30 1.50 0.00 -1.26 -2.56 120.51 118.58 1fh3 n ALA 7 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 1fh3 n ALA 7 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1fh3 n ALA 7 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1fh3 s GLN 8 N 1.04 0.94 0.56 0.00 -2.07 -1.25 -3.41 119.66 115.46 1fh3 s GLN 8 Ca 0.00 -1.32 -0.20 0.00 -1.82 0.00 0.00 55.36 52.02 1fh3 s GLN 8 Cb 0.00 0.27 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 1fh3 s GLN 8 CO 0.00 -0.28 1.19 -2.14 -1.32 0.00 0.00 175.29 172.74 1fh3 s PRO 9 N -4.00 3.21 0.31 9.60 0.02 -1.26 -2.03 135.00 140.85 1fh3 s PRO 9 Ca 0.19 1.78 0.19 0.00 0.02 0.00 0.00 61.00 63.18 1fh3 s PRO 9 Cb 0.06 -2.04 0.14 0.00 0.02 0.00 0.00 34.50 32.69 1fh3 s PRO 9 CO -0.01 -1.00 1.41 0.93 -0.33 0.00 0.00 177.00 178.00 1fh3 h GLU 10 N 1.18 0.00 -1.19 5.54 3.07 -1.97 -3.45 114.58 117.76 1fh3 h GLU 10 Ca -0.50 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 58.62 1fh3 h GLU 10 Cb 1.28 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.96 1fh3 h GLU 10 CO 0.56 0.25 0.90 1.21 -1.40 0.00 0.00 179.01 180.53 1fh3 s ASN 11 N -6.20 -0.08 0.00 1.42 2.47 -0.86 -4.67 114.94 107.02 1fh3 s ASN 11 Ca 0.04 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.36 1fh3 s ASN 11 Cb 0.07 0.07 0.00 0.00 -1.45 0.00 0.00 41.25 39.94 1fh3 s ASN 11 CO 0.73 -0.10 0.00 0.00 -3.72 0.00 0.00 177.10 174.01 1fh3 s VAL 13 N -4.00 2.49 0.00 0.00 -7.23 -1.26 -4.37 120.40 106.03 1fh3 s VAL 13 Ca 0.00 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1fh3 s VAL 13 Cb 0.00 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1fh3 s VAL 13 CO 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 175.10 174.58 1fh3 n TYR 14 N -0.89 0.00 -4.40 2.82 4.19 -1.06 -3.83 117.16 113.99 1fh3 n TYR 14 Ca -0.05 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.94 1fh3 n TYR 14 Cb 0.63 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.38 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 -0.27 -4.26 2.98 8.25 -1.26 -4.20 115.22 116.45 1fh3 n HIS 15 Ca 0.00 -2.67 -0.16 0.00 -0.26 0.00 0.00 57.72 54.63 1fh3 n HIS 15 Cb 0.00 0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.14 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 -3.80 1.50 -0.12 0.00 0.08 -1.26 -4.98 117.98 109.40 1fh3 s PHE 17 Ca 0.39 -0.49 -0.34 0.00 0.12 0.00 0.00 56.93 56.61 1fh3 s PHE 17 Cb 0.05 -1.06 -0.11 0.00 -0.57 0.00 0.00 43.02 41.33 1fh3 s PHE 17 CO 0.18 -0.22 1.94 -2.30 -0.10 0.00 0.00 175.22 174.73 1fh3 n PRO 18 N 3.50 2.11 0.00 0.24 -0.02 -1.26 -0.74 135.00 138.82 1fh3 n PRO 18 Ca -0.20 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1fh3 n PRO 18 Cb 0.53 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1fh3 n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fh3 n GLY 19 N 4.72 4.07 1.37 -1.23 0.00 -1.26 -4.89 105.19 107.96 1fh3 n GLY 19 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1fh3 n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fh3 n SER 20 N 0.00 0.00 -0.24 1.61 7.64 0.08 -4.97 113.62 117.74 1fh3 n SER 20 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1fh3 n SER 20 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1fh3 n SER 20 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1fh3 h SER 21 N 0.00 -0.39 0.97 6.43 0.02 -1.91 0.21 113.55 118.89 1fh3 h SER 21 Ca 0.00 0.19 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1fh3 h SER 21 Cb 0.00 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1fh3 h SER 21 CO 0.00 -0.17 -0.78 1.23 -1.14 0.00 0.00 176.83 175.97 1fh3 h GLY 22 N 0.08 0.00 0.74 -3.77 0.00 -1.93 -1.69 103.07 96.50 1fh3 h GLY 22 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 1fh3 h GLY 22 CO -0.64 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 175.61 1fh3 h ASP 24 N -0.05 0.12 -0.44 0.00 3.58 -0.66 0.48 116.42 119.45 1fh3 h ASP 24 Ca -0.01 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.50 1fh3 h ASP 24 Cb 0.91 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 1fh3 h ASP 24 CO 0.06 0.10 0.29 0.74 -2.88 0.00 0.00 179.24 177.55 1fh3 h THR 25 N 0.28 1.10 -0.58 2.25 2.02 -1.21 0.67 112.91 117.44 1fh3 h THR 25 Ca 0.18 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1fh3 h THR 25 Cb 0.18 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1fh3 h THR 25 CO -0.20 0.11 -0.05 -0.07 0.37 0.00 0.00 175.52 175.68 1fh3 h LEU 26 N 0.59 1.05 -0.71 2.58 3.38 -0.23 -2.36 115.31 119.61 1fh3 h LEU 26 Ca 0.17 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1fh3 h LEU 26 Cb -0.05 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 1fh3 h LEU 26 CO -0.04 1.12 0.42 0.00 0.09 0.00 0.00 178.44 180.02 1fh3 h LYS 28 N 0.78 -0.42 0.00 0.00 1.79 -0.47 0.26 116.57 118.51 1fh3 h LYS 28 Ca 0.31 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1fh3 h LYS 28 Cb 0.14 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1fh3 h LYS 28 CO -0.16 -0.28 0.00 1.05 -1.08 0.00 0.00 179.45 178.98 1fh3 h GLU 29 N -0.44 0.00 -0.01 3.15 4.11 -1.23 -0.26 114.58 119.91 1fh3 h GLU 29 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1fh3 h GLU 29 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1fh3 h GLU 29 CO 0.04 0.00 -0.29 1.63 0.07 0.00 0.00 179.01 180.46 1fh3 n LYS 30 N -2.61 0.84 -0.07 1.06 4.76 -0.64 -4.95 118.16 116.54 1fh3 n LYS 30 Ca 0.03 -0.52 0.00 0.00 -2.87 0.00 0.00 58.31 54.95 1fh3 n LYS 30 Cb 0.33 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 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 1.35 1.73 3.88 0.72 0.00 -0.11 -4.82 105.19 107.95 1fh3 n GLY 31 Ca 0.12 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.04 2.15 0.21 -0.02 0.00 0.85 -4.39 107.32 104.08 1fh3 s GLY 32 Ca 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 44.72 44.04 1fh3 s GLY 32 CO 0.00 -0.68 1.40 -0.91 0.00 0.00 0.00 173.10 172.90 1fh3 h THR 33 N 2.84 1.33 -2.92 0.90 1.35 -1.60 -3.28 112.91 111.54 1fh3 h THR 33 Ca -0.49 -2.76 0.04 0.00 -0.55 0.00 0.00 66.41 62.65 1fh3 h THR 33 Cb 1.18 2.58 -0.03 0.00 -1.73 0.00 0.00 68.15 70.16 1fh3 h THR 33 CO 0.68 0.73 0.29 -0.44 -0.25 0.00 0.00 175.52 176.54 1fh3 s SER 34 N -6.61 -0.11 0.10 5.36 0.01 -1.26 -4.93 113.70 106.27 1fh3 s SER 34 Ca 0.02 -0.85 -0.26 0.00 1.31 0.00 0.00 55.95 56.17 1fh3 s SER 34 Cb 0.09 0.75 0.08 0.00 0.21 0.00 0.00 66.02 67.16 1fh3 s SER 34 CO 0.78 -1.45 1.09 -0.83 0.41 0.00 0.00 173.24 173.24 1fh3 s GLY 35 N -3.03 -0.20 0.34 3.44 0.00 -1.26 -2.43 107.32 104.18 1fh3 s GLY 35 Ca 0.14 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.85 1fh3 s GLY 35 CO 0.09 0.91 0.75 0.30 0.00 0.00 0.00 173.10 175.15 1fh3 s HIS 36 N -2.72 0.00 0.82 1.90 3.76 -1.01 -4.52 115.29 113.52 1fh3 s HIS 36 Ca 0.16 -0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1fh3 s HIS 36 Cb 0.00 0.75 0.08 0.00 1.11 0.00 0.00 32.58 34.53 1fh3 s HIS 36 CO 0.01 -1.41 1.09 0.00 -0.85 0.00 0.00 174.74 173.58 1fh3 s GLY 38 N -3.59 -0.02 -0.06 0.00 0.00 -1.22 -4.60 107.32 97.82 1fh3 s GLY 38 Ca 0.62 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 45.07 1fh3 s GLY 38 CO 0.56 -0.04 -0.24 -0.12 0.00 0.00 0.00 173.10 173.26 1fh3 s PHE 39 N -3.49 2.36 -0.37 1.90 2.19 -1.26 -2.09 117.98 117.22 1fh3 s PHE 39 Ca 0.12 -0.74 -0.05 0.00 0.33 0.00 0.00 56.93 56.59 1fh3 s PHE 39 Cb -0.05 -1.55 0.07 0.00 -1.31 0.00 0.00 43.02 40.17 1fh3 s PHE 39 CO 0.07 -0.24 0.14 0.21 1.83 0.00 0.00 175.22 177.23 1fh3 s LYS 40 N -0.07 2.43 0.11 10.12 2.47 0.29 -4.89 119.74 130.20 1fh3 s LYS 40 Ca -0.06 -1.41 -0.30 0.00 -1.56 0.00 0.00 55.97 52.63 1fh3 s LYS 40 Cb -0.14 -3.50 -0.07 0.00 -1.46 0.00 0.00 37.83 32.66 1fh3 s LYS 40 CO 0.04 -0.82 1.21 0.08 0.16 0.00 0.00 175.35 176.02 1fh3 s VAL 41 N 1.31 3.82 0.00 4.02 1.01 -1.26 -0.80 120.40 128.50 1fh3 s VAL 41 Ca 0.01 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1fh3 s VAL 41 Cb -0.21 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1fh3 s VAL 41 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1fh3 n GLY 42 N 2.88 2.08 0.96 4.51 0.00 -1.26 -4.88 105.19 109.48 1fh3 n GLY 42 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.21 0.00 -3.73 1.61 8.25 -0.78 -5.12 115.22 115.24 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 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 2.25 -0.56 3.75 -1.41 0.00 0.02 -5.03 105.19 104.21 1fh3 n GLY 44 Ca 0.00 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 4.35 0.00 0.99 2.96 -1.26 -0.55 118.68 125.17 1fh3 s LEU 45 Ca 0.00 2.89 0.02 0.00 -0.22 0.00 0.00 54.13 56.82 1fh3 s LEU 45 Cb 0.00 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1fh3 s LEU 45 CO 0.00 -0.86 0.11 0.00 -1.32 0.00 0.00 176.35 174.28 1fh3 n ALA 46 N 2.07 0.19 -2.44 5.97 0.00 -0.89 -4.35 120.51 121.06 1fh3 n ALA 46 Ca 0.07 -0.67 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 1fh3 n ALA 46 Cb 0.38 0.54 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 1fh3 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fh3 s TRP 48 N -1.99 2.65 -0.01 0.00 -0.11 0.25 0.55 118.94 120.29 1fh3 s TRP 48 Ca 0.20 -0.20 -0.10 0.00 1.22 0.00 0.00 56.10 57.22 1fh3 s TRP 48 Cb -0.06 -1.37 0.01 0.00 -1.50 0.00 0.00 33.47 30.55 1fh3 s TRP 48 CO 0.09 0.44 0.20 0.00 -4.62 0.00 0.00 176.95 173.06 1fh3 s ASN 50 N -1.25 3.09 -0.34 0.00 -0.87 -1.02 -2.15 114.94 112.40 1fh3 s ASN 50 Ca -0.13 -0.47 -0.02 0.00 -1.57 0.00 0.00 52.86 50.67 1fh3 s ASN 50 Cb -0.06 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.25 40.67 1fh3 s ASN 50 CO 0.02 0.30 0.30 0.00 -2.57 0.00 0.00 177.10 175.15 1fh3 n ALA 51 N 2.55 -1.06 -2.76 0.60 0.00 -0.97 -2.05 120.51 116.82 1fh3 n ALA 51 Ca -0.16 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1fh3 n ALA 51 Cb 0.51 -2.03 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.70 4.27 0.94 0.00 1.43 -0.01 -4.17 118.68 117.43 1fh3 s LEU 52 Ca 0.12 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 1fh3 s LEU 52 Cb -0.02 -2.15 0.16 0.00 0.03 0.00 0.00 46.19 44.21 1fh3 s LEU 52 CO 0.23 0.23 1.16 -2.16 0.23 0.00 0.00 176.35 176.04 1fh3 s PRO 53 N 0.01 0.90 0.53 1.29 0.04 -1.26 0.26 135.00 136.76 1fh3 s PRO 53 Ca 0.12 0.16 0.35 0.00 0.04 0.00 0.00 61.00 61.67 1fh3 s PRO 53 Cb -0.12 -1.82 1.81 0.00 0.04 0.00 0.00 34.50 34.41 1fh3 s PRO 53 CO 0.01 -2.33 2.07 -0.44 0.04 0.00 0.00 177.00 176.35 1fh3 h ASP 54 N -1.59 0.00 0.38 6.66 5.19 -1.97 -1.51 116.42 123.57 1fh3 h ASP 54 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1fh3 h ASP 54 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1fh3 h ASP 54 CO 0.57 0.00 -0.19 -0.46 -3.12 0.00 0.00 179.24 176.03 1fh3 n ASN 55 N -2.80 0.62 -4.83 6.45 6.94 -1.26 -4.77 115.26 115.62 1fh3 n ASN 55 Ca -0.02 -0.57 -0.36 0.00 -0.02 0.00 0.00 54.58 53.61 1fh3 n ASN 55 Cb 0.12 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 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 -2.57 5.29 0.17 3.53 1.01 -0.57 -5.09 120.40 122.17 1fh3 s VAL 56 Ca 0.25 0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.47 1fh3 s VAL 56 Cb 0.19 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1fh3 s VAL 56 CO 0.52 0.59 -0.23 -0.83 0.00 0.00 0.00 175.10 175.15 1fh3 s GLY 57 N -0.81 1.67 0.00 4.51 0.00 -1.26 -4.88 107.32 106.55 1fh3 s GLY 57 Ca 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1fh3 s GLY 57 CO 0.03 -1.56 0.00 0.29 0.00 0.00 0.00 173.10 171.86 1fh3 n ILE 58 N 0.50 0.00 -2.44 0.90 -5.35 -1.26 -4.41 119.36 107.30 1fh3 n ILE 58 Ca -0.14 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.91 1fh3 n ILE 58 Cb 0.55 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.43 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 1.42 4.12 -0.58 7.28 -1.09 -1.23 -4.42 121.20 126.70 1fh3 s ILE 59 Ca 0.00 1.23 -0.09 0.00 -2.23 0.00 0.00 60.65 59.57 1fh3 s ILE 59 Cb 0.00 -4.23 0.15 0.00 -1.58 0.00 0.00 42.46 36.80 1fh3 s ILE 59 CO 0.00 -0.60 0.46 -0.69 -1.23 0.00 0.00 174.94 172.88 1fh3 s VAL 60 N 4.57 4.38 0.24 2.92 1.01 -1.26 -5.04 120.40 127.22 1fh3 s VAL 60 Ca 0.56 -2.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.04 1fh3 s VAL 60 Cb -0.15 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1fh3 s VAL 60 CO 0.26 -0.86 0.90 -0.70 0.00 0.00 0.00 175.10 174.70 1fh3 s GLU 61 N 0.76 4.72 0.00 2.72 2.56 -1.26 -2.77 118.70 125.42 1fh3 s GLU 61 Ca 0.11 1.36 0.00 0.00 0.00 0.00 0.00 54.97 56.44 1fh3 s GLU 61 Cb -0.21 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 32.77 1fh3 s GLU 61 CO -0.03 0.47 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 1fh3 n GLY 62 N 1.26 2.98 0.07 -1.50 0.00 -1.26 -4.79 105.19 101.95 1fh3 n GLY 62 Ca -0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 1fh3 n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fh3 h GLU 63 N 0.00 0.00 0.00 1.61 4.57 -1.90 -3.49 114.58 115.37 1fh3 h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1fh3 h GLU 63 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1fh3 h GLU 63 CO 0.00 0.79 0.00 1.17 -1.18 0.00 0.00 179.01 179.79 1fh3 n LYS 64 N -3.23 0.00 -4.18 1.92 4.81 -1.19 -4.78 118.16 111.51 1fh3 n LYS 64 Ca -0.06 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.17 1fh3 n LYS 64 Cb 0.97 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.85 1fh3 n LYS 64 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fh3 n HIS 66 N 4.10 0.00 1.62 0.00 8.25 0.12 -4.90 115.22 124.41 1fh3 n HIS 66 Ca -0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1fh3 n HIS 66 Cb 0.51 0.06 0.77 0.00 1.12 0.00 0.00 29.99 32.45 1fh3 n HIS 66 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41