#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 2.83 -0.06 7.34 3.00 0.12 -4.91 118.95 127.27 1fh3 s ARG 2 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 55.73 54.64 1fh3 s ARG 2 Cb 0.00 -2.50 0.02 0.00 0.00 0.00 0.00 34.95 32.46 1fh3 s ARG 2 CO 0.00 0.40 -0.10 -0.51 0.00 0.00 0.00 175.30 175.09 1fh3 s ASP 3 N -3.80 1.47 0.01 0.23 1.01 -1.26 -1.31 116.67 113.03 1fh3 s ASP 3 Ca 0.33 -0.24 -0.01 0.00 0.71 0.00 0.00 52.55 53.34 1fh3 s ASP 3 Cb -0.08 -0.69 0.00 0.00 1.01 0.00 0.00 42.92 43.17 1fh3 s ASP 3 CO 0.24 0.01 0.03 0.61 0.21 0.00 0.00 175.17 176.26 1fh3 n GLY 4 N 3.87 1.80 3.80 0.21 0.00 -1.11 -5.02 105.19 108.73 1fh3 n GLY 4 Ca -0.24 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 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 -8.08 3.73 0.10 1.61 2.02 -1.26 -2.23 117.35 113.24 1fh3 s TYR 5 Ca 0.01 1.57 -0.14 0.00 -0.37 0.00 0.00 57.07 58.13 1fh3 s TYR 5 Cb -0.00 -2.75 -0.06 0.00 -0.40 0.00 0.00 41.96 38.75 1fh3 s TYR 5 CO 0.00 0.34 0.50 -1.50 -1.57 0.00 0.00 175.55 173.33 1fh3 s ILE 6 N -1.46 4.91 0.00 2.71 2.07 0.18 -3.42 121.20 126.19 1fh3 s ILE 6 Ca 0.43 0.82 0.00 0.00 -1.41 0.00 0.00 60.65 60.49 1fh3 s ILE 6 Cb -0.19 -3.74 0.00 0.00 0.13 0.00 0.00 42.46 38.66 1fh3 s ILE 6 CO 0.23 0.34 0.00 0.00 -1.91 0.00 0.00 174.94 173.61 1fh3 n ALA 7 N 1.09 0.00 -2.50 1.50 0.00 -1.26 -2.99 120.51 116.36 1fh3 n ALA 7 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1fh3 n ALA 7 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 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 4.70 0.64 0.60 0.00 -0.21 -1.25 -3.90 119.66 120.24 1fh3 s GLN 8 Ca 0.00 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.17 1fh3 s GLN 8 Cb 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.83 1fh3 s GLN 8 CO 0.00 -0.01 1.18 -2.14 -2.12 0.00 0.00 175.29 172.21 1fh3 s PRO 9 N -2.76 2.97 0.10 2.91 0.02 -1.26 -2.92 135.00 134.06 1fh3 s PRO 9 Ca 0.00 1.74 0.08 0.00 0.02 0.00 0.00 61.00 62.84 1fh3 s PRO 9 Cb -0.02 -1.94 -0.21 0.00 0.02 0.00 0.00 34.50 32.35 1fh3 s PRO 9 CO -0.03 -1.19 1.20 0.93 -0.33 0.00 0.00 177.00 177.58 1fh3 h GLU 10 N 0.78 0.00 -2.48 5.54 4.39 -1.95 -3.46 114.58 117.41 1fh3 h GLU 10 Ca -0.50 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.26 1fh3 h GLU 10 Cb 1.29 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.79 1fh3 h GLU 10 CO 0.55 0.94 0.39 1.21 -1.16 0.00 0.00 179.01 180.94 1fh3 s ASN 11 N -6.63 -0.44 0.00 1.42 2.47 -1.15 -4.53 114.94 106.08 1fh3 s ASN 11 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.32 1fh3 s ASN 11 Cb 0.10 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 1fh3 s ASN 11 CO 0.82 -0.73 0.00 0.00 -3.72 0.00 0.00 177.10 173.48 1fh3 s VAL 13 N -4.00 0.11 0.87 0.00 -7.23 -1.26 -4.57 120.40 104.32 1fh3 s VAL 13 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1fh3 s VAL 13 Cb 0.00 -2.53 0.19 0.00 0.56 0.00 0.00 36.38 34.60 1fh3 s VAL 13 CO 0.00 0.00 1.19 -0.47 -0.31 0.00 0.00 175.10 175.51 1fh3 s TYR 14 N -4.08 1.26 -0.71 2.82 6.14 -1.24 -3.80 117.35 117.73 1fh3 s TYR 14 Ca 0.39 -0.10 0.05 0.00 0.64 0.00 0.00 57.07 58.05 1fh3 s TYR 14 Cb 0.07 -3.60 0.19 0.00 0.42 0.00 0.00 41.96 39.04 1fh3 s TYR 14 CO 0.12 -2.35 0.58 0.72 0.64 0.00 0.00 175.55 175.26 1fh3 n HIS 15 N -3.37 3.41 -2.88 4.97 8.25 -1.25 -3.89 115.22 120.46 1fh3 n HIS 15 Ca 0.17 -4.26 -0.01 0.00 -0.26 0.00 0.00 57.72 53.36 1fh3 n HIS 15 Cb 0.60 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 0.74 1.16 -0.03 0.00 0.08 -1.26 -4.47 117.98 114.20 1fh3 s PHE 17 Ca 0.02 -1.33 -0.02 0.00 0.12 0.00 0.00 56.93 55.72 1fh3 s PHE 17 Cb -0.00 -0.43 -0.09 0.00 -0.57 0.00 0.00 43.02 41.93 1fh3 s PHE 17 CO 0.02 -0.80 1.55 -2.30 -0.10 0.00 0.00 175.22 173.59 1fh3 n PRO 18 N -0.39 0.70 -3.64 0.24 -0.02 -1.26 -4.57 135.00 126.05 1fh3 n PRO 18 Ca 0.03 -0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.06 1fh3 n PRO 18 Cb 0.64 -1.70 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 1fh3 n PRO 18 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1fh3 s GLY 19 N 2.74 0.02 -0.34 -1.23 0.00 -1.26 -5.05 107.32 102.20 1fh3 s GLY 19 Ca 0.22 2.96 0.03 0.00 0.00 0.00 0.00 44.72 47.93 1fh3 s GLY 19 CO -0.00 1.88 1.70 1.44 0.00 0.00 0.00 173.10 178.11 1fh3 n SER 20 N 2.02 3.69 0.26 1.64 7.64 -1.26 -4.65 113.62 122.95 1fh3 n SER 20 Ca -0.12 -3.20 -0.14 0.00 1.01 0.00 0.00 58.87 56.42 1fh3 n SER 20 Cb 0.56 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 1fh3 n SER 20 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1fh3 h SER 21 N 0.78 -0.58 1.10 6.43 4.64 -1.96 -2.50 113.55 121.45 1fh3 h SER 21 Ca 0.47 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.54 1fh3 h SER 21 Cb 2.34 0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 64.55 1fh3 h SER 21 CO 0.84 -0.23 -0.90 1.23 -0.87 0.00 0.00 176.83 176.89 1fh3 h GLY 22 N -0.98 0.00 1.95 -0.77 0.00 -1.98 -3.32 103.07 97.97 1fh3 h GLY 22 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1fh3 h GLY 22 CO 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.48 1fh3 h ASP 24 N 0.06 -1.33 -0.49 0.00 3.58 -1.54 0.25 116.42 116.95 1fh3 h ASP 24 Ca 0.01 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1fh3 h ASP 24 Cb 0.34 0.47 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1fh3 h ASP 24 CO 0.02 -0.56 0.27 0.71 -2.88 0.00 0.00 179.24 176.80 1fh3 h THR 25 N -0.79 1.17 -0.49 2.25 1.35 -1.60 -2.76 112.91 112.03 1fh3 h THR 25 Ca -0.01 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 1fh3 h THR 25 Cb 0.76 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1fh3 h THR 25 CO -0.18 0.18 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.19 1fh3 h LEU 26 N 0.65 0.87 -0.70 3.87 3.38 -0.69 -0.87 115.31 121.82 1fh3 h LEU 26 Ca 0.17 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1fh3 h LEU 26 Cb 0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1fh3 h LEU 26 CO -0.03 0.97 0.20 0.00 0.09 0.00 0.00 178.44 179.67 1fh3 h LYS 28 N 1.04 0.30 0.00 0.00 1.57 -1.16 0.34 116.57 118.66 1fh3 h LYS 28 Ca 0.22 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1fh3 h LYS 28 Cb 0.33 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1fh3 h LYS 28 CO -0.00 0.51 -0.02 1.05 -0.57 0.00 0.00 179.45 180.41 1fh3 h GLU 29 N 0.05 0.00 -0.01 3.15 4.11 -1.08 -0.46 114.58 120.34 1fh3 h GLU 29 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1fh3 h GLU 29 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1fh3 h GLU 29 CO 0.01 0.02 -0.23 1.63 0.07 0.00 0.00 179.01 180.51 1fh3 n LYS 30 N -3.13 1.33 -0.82 1.06 4.76 -0.91 -4.96 118.16 115.49 1fh3 n LYS 30 Ca 0.00 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.49 1fh3 n LYS 30 Cb 0.31 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 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 1.33 1.27 3.80 0.72 0.00 -0.18 -4.88 105.19 107.26 1fh3 n GLY 31 Ca 0.13 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 1.69 -0.08 -0.02 0.00 0.11 -4.35 107.32 102.29 1fh3 s GLY 32 Ca 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 44.72 42.93 1fh3 s GLY 32 CO 0.00 -1.59 0.70 -0.91 0.00 0.00 0.00 173.10 171.29 1fh3 h THR 33 N 1.44 1.19 -2.09 0.90 1.35 -1.34 -3.29 112.91 111.08 1fh3 h THR 33 Ca -0.46 -2.47 -0.05 0.00 -0.55 0.00 0.00 66.41 62.88 1fh3 h THR 33 Cb 1.25 2.89 -0.18 0.00 -1.73 0.00 0.00 68.15 70.37 1fh3 h THR 33 CO 0.60 0.72 0.20 -0.94 -0.25 0.00 0.00 175.52 175.85 1fh3 s SER 34 N -7.06 -0.65 0.21 5.36 1.04 -1.26 -4.81 113.70 106.54 1fh3 s SER 34 Ca -0.17 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.68 1fh3 s SER 34 Cb 0.03 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1fh3 s SER 34 CO 0.80 -0.64 0.82 -0.83 0.98 0.00 0.00 173.24 174.37 1fh3 s GLY 35 N -1.33 -0.18 0.27 7.32 0.00 -1.26 -1.98 107.32 110.15 1fh3 s GLY 35 Ca -0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.43 1fh3 s GLY 35 CO 0.08 -0.03 0.70 -2.39 0.00 0.00 0.00 173.10 171.46 1fh3 n HIS 36 N -0.46 -1.84 -4.13 1.90 1.44 -1.24 -4.80 115.22 106.09 1fh3 n HIS 36 Ca -0.06 -1.36 -0.09 0.00 -2.01 0.00 0.00 57.72 54.21 1fh3 n HIS 36 Cb 0.60 0.68 -0.10 0.00 0.12 0.00 0.00 29.99 31.29 1fh3 n HIS 36 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fh3 n GLY 38 N -0.01 3.05 3.54 0.00 0.00 -1.26 -4.80 105.19 105.70 1fh3 n GLY 38 Ca -0.10 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -0.63 -0.46 1.61 5.36 -1.26 -4.92 117.98 117.68 1fh3 s PHE 39 Ca 0.00 1.14 0.06 0.00 -0.96 0.00 0.00 56.93 57.17 1fh3 s PHE 39 Cb 0.00 0.40 0.21 0.00 -0.34 0.00 0.00 43.02 43.29 1fh3 s PHE 39 CO 0.00 -0.56 0.63 1.63 -1.46 0.00 0.00 175.22 175.47 1fh3 n LYS 40 N 1.05 0.55 -4.86 10.12 5.02 -1.26 -4.81 118.16 123.97 1fh3 n LYS 40 Ca -0.17 -2.47 -0.25 0.00 -2.02 0.00 0.00 58.31 53.39 1fh3 n LYS 40 Cb 0.57 -1.46 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 1fh3 n LYS 40 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fh3 s VAL 41 N 0.21 1.43 -1.47 -0.18 1.01 -1.26 -5.04 120.40 115.09 1fh3 s VAL 41 Ca 0.32 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1fh3 s VAL 41 Cb 0.10 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1fh3 s VAL 41 CO -0.15 0.41 2.55 0.61 0.00 0.00 0.00 175.10 178.52 1fh3 n GLY 42 N 2.80 4.61 0.68 4.51 0.00 -1.26 -3.62 105.19 112.90 1fh3 n GLY 42 Ca -0.16 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 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 3.55 0.00 -3.31 1.61 8.25 -1.26 -5.13 115.22 118.94 1fh3 n HIS 43 Ca 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 1fh3 n HIS 43 Cb 0.28 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 2.40 -0.85 2.90 -1.41 0.00 -1.24 -5.08 105.19 101.91 1fh3 n GLY 44 Ca -0.18 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 1.28 0.00 0.99 0.20 -1.25 -4.43 118.68 115.46 1fh3 s LEU 45 Ca 0.00 -0.40 -0.04 0.00 0.69 0.00 0.00 54.13 54.38 1fh3 s LEU 45 Cb 0.00 -0.84 0.14 0.00 -0.43 0.00 0.00 46.19 45.06 1fh3 s LEU 45 CO 0.00 -0.14 0.92 0.00 -0.29 0.00 0.00 176.35 176.84 1fh3 n ALA 46 N 4.93 -0.25 -2.44 5.97 0.00 -1.25 -0.02 120.51 127.45 1fh3 n ALA 46 Ca -0.12 -1.60 -0.29 0.00 0.00 0.00 0.00 53.44 51.43 1fh3 n ALA 46 Cb 0.49 0.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.09 3.48 0.01 0.00 -0.11 0.60 0.51 118.94 122.34 1fh3 s TRP 48 Ca 0.16 0.32 -0.11 0.00 1.22 0.00 0.00 56.10 57.69 1fh3 s TRP 48 Cb -0.10 -1.84 0.01 0.00 -1.50 0.00 0.00 33.47 30.04 1fh3 s TRP 48 CO 0.08 0.37 0.23 0.00 -4.62 0.00 0.00 176.95 173.01 1fh3 s ASN 50 N -1.68 3.83 -0.68 0.00 -0.87 -0.84 -2.76 114.94 111.94 1fh3 s ASN 50 Ca -0.10 -0.40 -0.03 0.00 -1.57 0.00 0.00 52.86 50.76 1fh3 s ASN 50 Cb -0.04 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.25 40.52 1fh3 s ASN 50 CO 0.00 0.27 0.59 0.00 -2.57 0.00 0.00 177.10 175.39 1fh3 n ALA 51 N 1.64 -1.62 -2.66 0.60 0.00 -1.04 -1.10 120.51 116.32 1fh3 n ALA 51 Ca -0.16 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1fh3 n ALA 51 Cb 0.52 -3.26 -0.09 0.00 0.00 0.00 0.00 19.45 16.63 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 -4.56 4.13 0.89 0.00 1.43 -0.42 -4.29 118.68 115.85 1fh3 s LEU 52 Ca 0.21 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1fh3 s LEU 52 Cb -0.03 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 44.00 1fh3 s LEU 52 CO 0.46 -0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.97 1fh3 s PRO 53 N 1.24 1.29 -0.31 1.29 0.04 -1.26 0.16 135.00 137.45 1fh3 s PRO 53 Ca 0.13 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 61.72 1fh3 s PRO 53 Cb -0.14 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1fh3 s PRO 53 CO 0.06 -2.16 2.71 -0.25 0.04 0.00 0.00 177.00 177.40 1fh3 n ASP 54 N -3.79 6.18 -0.13 6.66 9.92 -1.26 -2.48 116.55 131.64 1fh3 n ASP 54 Ca 0.06 -2.99 0.04 0.00 -0.53 0.00 0.00 54.79 51.38 1fh3 n ASP 54 Cb 0.57 -1.22 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 1fh3 n ASP 54 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1fh3 n ASN 55 N 1.09 0.89 -4.86 -2.24 6.94 -1.26 -5.00 115.26 110.82 1fh3 n ASN 55 Ca 0.40 -0.95 -0.36 0.00 -0.02 0.00 0.00 54.58 53.66 1fh3 n ASN 55 Cb 0.62 0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 38.63 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 -1.46 5.35 0.06 3.53 1.01 -1.04 -5.09 120.40 122.77 1fh3 s VAL 56 Ca 0.06 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1fh3 s VAL 56 Cb 0.07 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1fh3 s VAL 56 CO 0.27 0.58 -0.08 -0.83 0.00 0.00 0.00 175.10 175.04 1fh3 s GLY 57 N -1.14 1.79 0.00 4.51 0.00 -1.26 -4.98 107.32 106.23 1fh3 s GLY 57 Ca 0.16 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1fh3 s GLY 57 CO 0.06 -1.07 0.00 0.29 0.00 0.00 0.00 173.10 172.38 1fh3 n ILE 58 N 1.04 0.00 -2.22 0.90 -5.35 -1.26 -4.26 119.36 108.20 1fh3 n ILE 58 Ca -0.14 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 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 -0.84 3.28 0.10 7.28 -1.09 -1.22 -4.49 121.20 124.22 1fh3 s ILE 59 Ca 0.00 1.01 0.02 0.00 -2.23 0.00 0.00 60.65 59.45 1fh3 s ILE 59 Cb 0.00 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1fh3 s ILE 59 CO 0.00 0.13 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.09 1fh3 s VAL 60 N 0.40 0.71 0.16 2.92 1.01 -1.26 -5.01 120.40 119.33 1fh3 s VAL 60 Ca 0.59 -1.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.38 1fh3 s VAL 60 Cb -0.36 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1fh3 s VAL 60 CO 0.36 -0.84 0.70 -0.70 0.00 0.00 0.00 175.10 174.62 1fh3 s GLU 61 N -3.84 1.30 0.00 2.72 2.12 -1.26 -4.77 118.70 114.97 1fh3 s GLU 61 Ca 0.13 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1fh3 s GLU 61 Cb 0.05 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.99 1fh3 s GLU 61 CO -0.04 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 1fh3 n GLY 62 N -0.38 0.70 0.00 -1.50 0.00 -1.26 -4.97 105.19 97.79 1fh3 n GLY 62 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.72 0.00 -1.04 1.61 4.07 -1.26 -5.19 120.64 118.11 1fh3 n GLU 63 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1fh3 n GLU 63 Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 1fh3 n GLU 63 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1fh3 n LYS 64 N 0.00 0.00 -2.36 5.31 4.81 -1.26 -5.11 118.16 119.55 1fh3 n LYS 64 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1fh3 n LYS 64 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 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 2.71 0.00 1.97 0.00 8.25 0.14 -4.90 115.22 123.39 1fh3 n HIS 66 Ca 0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.67 1fh3 n HIS 66 Cb 0.45 0.01 0.93 0.00 1.12 0.00 0.00 29.99 32.50 1fh3 n HIS 66 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41