#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6u s GLN 2 N 0.00 3.80 0.16 2.12 -0.21 -1.26 -4.91 119.66 119.36 1f6u s GLN 2 Ca 0.00 2.45 -0.15 0.00 0.02 0.00 0.00 55.36 57.68 1f6u s GLN 2 Cb 0.00 -2.74 0.03 0.00 1.00 0.00 0.00 33.01 31.30 1f6u s GLN 2 CO 0.00 -0.74 1.79 1.57 -2.12 0.00 0.00 175.29 175.80 1f6u h LYS 3 N 2.51 0.61 0.00 2.91 2.10 -2.09 -0.12 116.57 122.48 1f6u h LYS 3 Ca -0.51 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 1f6u h LYS 3 Cb 1.26 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1f6u h LYS 3 CO 0.62 0.44 0.00 0.41 -2.00 0.00 0.00 179.45 178.92 1f6u n GLY 4 N -1.11 -0.79 0.31 0.07 0.00 -1.26 -1.47 105.19 100.95 1f6u n GLY 4 Ca 0.01 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.35 1f6u n GLY 4 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1f6u h ASN 5 N 0.00 0.00 0.02 1.61 -0.73 -1.37 0.15 115.58 115.27 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1f6u h ASN 5 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1f6u h ASN 5 CO 0.00 0.00 0.00 0.33 -0.37 0.00 0.00 177.43 177.39 1f6u n PHE 6 N -2.87 0.74 0.15 0.67 7.35 -0.54 -1.21 117.46 121.74 1f6u n PHE 6 Ca -0.02 0.39 0.05 0.00 -0.76 0.00 0.00 57.45 57.10 1f6u n PHE 6 Cb 0.22 -1.12 0.25 0.00 0.35 0.00 0.00 39.48 39.18 1f6u n PHE 6 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1f6u n ARG 7 N -2.26 0.06 0.14 -4.13 0.63 0.54 -1.38 116.66 110.25 1f6u n ARG 7 Ca -0.01 0.50 0.10 0.00 -0.92 0.00 0.00 57.85 57.52 1f6u n ARG 7 Cb 0.04 -1.66 0.53 0.00 0.45 0.00 0.00 32.46 31.81 1f6u n ARG 7 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1f6u n ASN 8 N -1.78 0.51 0.14 6.15 5.15 -0.35 -1.46 115.26 123.62 1f6u n ASN 8 Ca 0.00 0.73 0.18 0.00 -0.60 0.00 0.00 54.58 54.90 1f6u n ASN 8 Cb 0.05 -0.80 0.78 0.00 -0.53 0.00 0.00 39.78 39.28 1f6u n ASN 8 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1f6u h GLN 9 N 0.00 0.00 -0.26 1.20 4.15 -1.40 0.18 115.11 118.97 1f6u h GLN 9 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1f6u h GLN 9 Cb 0.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1f6u h GLN 9 CO 0.00 0.00 0.34 0.00 -1.93 0.00 0.00 178.83 177.24 1f6u h ARG 10 N 0.00 0.00 -0.74 1.69 3.08 -1.52 -0.48 114.38 116.41 1f6u h ARG 10 Ca 0.14 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.80 1f6u h ARG 10 Cb 0.75 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.39 1f6u h ARG 10 CO -0.00 0.00 -1.00 1.63 -1.07 0.00 0.00 179.97 179.53 1f6u n LYS 11 N -3.58 2.37 -0.28 0.04 4.01 0.61 -5.06 118.16 116.27 1f6u n LYS 11 Ca 0.04 -3.77 0.00 0.00 -0.51 0.00 0.00 58.31 54.07 1f6u n LYS 11 Cb 0.47 -1.81 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1f6u n THR 12 N -0.53 -1.36 -2.92 -0.18 -1.04 -0.19 -5.05 114.28 103.02 1f6u n THR 12 Ca 0.22 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.14 1f6u n THR 12 Cb 0.84 -1.36 0.03 0.00 -1.82 0.00 0.00 70.33 68.02 1f6u n THR 12 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1f6u n VAL 13 N 0.44 0.00 -4.05 12.58 3.14 -1.26 -4.26 118.33 124.93 1f6u n VAL 13 Ca 0.00 -0.80 -0.20 0.00 -2.96 0.00 0.00 64.34 60.38 1f6u n VAL 13 Cb 0.00 -0.85 -0.17 0.00 -1.06 0.00 0.00 33.84 31.76 1f6u n VAL 13 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1f6u s LYS 14 N -3.19 0.70 -0.33 1.45 2.20 -1.25 -0.84 119.74 118.47 1f6u s LYS 14 Ca 0.26 -0.04 -0.21 0.00 -0.36 0.00 0.00 55.97 55.63 1f6u s LYS 14 Cb -0.02 -0.80 -0.00 0.00 -1.51 0.00 0.00 37.83 35.50 1f6u s LYS 14 CO 0.17 -0.13 0.65 0.00 -0.36 0.00 0.00 175.35 175.67 1f6u n PHE 16 N 5.99 0.55 -0.01 0.00 -1.74 -1.26 -0.27 117.46 120.71 1f6u n PHE 16 Ca -0.01 -0.20 -0.04 0.00 -0.56 0.00 0.00 57.45 56.64 1f6u n PHE 16 Cb 0.49 -0.19 -0.01 0.00 1.52 0.00 0.00 39.48 41.28 1f6u n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1f6u n ASN 17 N 0.17 0.75 -0.02 5.98 5.15 -1.26 -4.77 115.26 121.26 1f6u n ASN 17 Ca 0.08 0.11 -0.02 0.00 -0.60 0.00 0.00 54.58 54.15 1f6u n ASN 17 Cb 0.47 -0.27 -0.12 0.00 -0.53 0.00 0.00 39.78 39.33 1f6u n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f6u n GLY 19 N 1.50 0.81 3.30 0.00 0.00 0.62 -5.06 105.19 106.36 1f6u n GLY 19 Ca -0.16 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 1f6u n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6u s LYS 20 N -3.66 1.51 0.41 1.61 -0.14 -1.19 -4.86 119.74 113.42 1f6u s LYS 20 Ca 0.00 -1.06 -0.06 0.00 -1.36 0.00 0.00 55.97 53.49 1f6u s LYS 20 Cb 0.00 -1.70 -0.05 0.00 -1.68 0.00 0.00 37.83 34.41 1f6u s LYS 20 CO 0.00 0.43 0.72 -1.83 -0.76 0.00 0.00 175.35 173.91 1f6u s GLU 21 N -1.35 3.61 0.00 1.68 -1.05 -1.26 0.22 118.70 120.56 1f6u s GLU 21 Ca 0.09 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 1f6u s GLU 21 Cb -0.09 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.14 1f6u s GLU 21 CO 0.02 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.59 1f6u n GLY 22 N -1.74 1.69 3.46 -3.83 0.00 -0.02 -4.87 105.19 99.87 1f6u n GLY 22 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1f6u n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1f6u s HIS 23 N -1.26 0.87 0.28 1.61 -3.43 -1.26 -4.42 115.29 107.67 1f6u s HIS 23 Ca 0.00 -1.13 0.12 0.00 -0.80 0.00 0.00 55.06 53.25 1f6u s HIS 23 Cb 0.00 -0.11 -0.05 0.00 -1.43 0.00 0.00 32.58 31.00 1f6u s HIS 23 CO 0.00 -0.98 -0.18 0.96 -2.00 0.00 0.00 174.74 172.53 1f6u s ILE 24 N -3.61 2.57 0.33 -5.38 -4.36 -1.26 -1.74 121.20 107.74 1f6u s ILE 24 Ca 0.30 -2.35 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 1f6u s ILE 24 Cb 0.01 -2.34 0.31 0.00 1.25 0.00 0.00 42.46 41.69 1f6u s ILE 24 CO 0.15 -0.39 1.83 0.00 0.24 0.00 0.00 174.94 176.78 1f6u h ALA 25 N 2.27 1.75 -1.57 2.27 0.00 -1.89 0.20 119.26 122.29 1f6u h ALA 25 Ca -0.41 0.03 0.46 0.00 0.00 0.00 0.00 54.91 54.99 1f6u h ALA 25 Cb 1.26 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1f6u h ALA 25 CO 0.60 -0.04 1.31 1.57 0.00 0.00 0.00 179.25 182.69 1f6u h LYS 26 N 0.76 0.00 -0.79 0.00 2.10 -1.98 -0.53 116.57 116.14 1f6u h LYS 26 Ca 0.50 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.82 1f6u h LYS 26 Cb 0.76 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.83 1f6u h LYS 26 CO -0.26 0.00 -0.77 0.27 -2.00 0.00 0.00 179.45 176.69 1f6u n ASN 27 N -3.69 -0.80 -4.77 7.07 2.04 0.63 -5.12 115.26 110.62 1f6u n ASN 27 Ca 0.35 -3.20 -0.38 0.00 -0.44 0.00 0.00 54.58 50.91 1f6u n ASN 27 Cb 1.79 0.68 -0.03 0.00 -2.53 0.00 0.00 39.78 39.68 1f6u n ASN 27 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1f6u n ARG 29 N 0.29 2.19 -1.96 0.00 0.63 -1.26 -4.98 116.66 111.57 1f6u n ARG 29 Ca 0.03 -3.10 -0.43 0.00 -0.92 0.00 0.00 57.85 53.43 1f6u n ARG 29 Cb 0.47 -1.96 -0.03 0.00 0.45 0.00 0.00 32.46 31.39 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1f6u s ALA 30 N -3.22 3.07 -0.10 5.13 0.00 -1.26 -4.84 121.76 120.54 1f6u s ALA 30 Ca 0.49 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 1f6u s ALA 30 Cb 0.43 -3.94 -0.19 0.00 0.00 0.00 0.00 23.12 19.42 1f6u s ALA 30 CO 0.05 -2.28 2.81 -0.35 0.00 0.00 0.00 175.76 175.99 1f6u n PRO 31 N 8.09 1.60 -2.30 0.00 -0.04 -1.26 -4.85 135.00 136.24 1f6u n PRO 31 Ca 0.22 -0.83 -0.26 0.00 -0.04 0.00 0.00 63.50 62.59 1f6u n PRO 31 Cb 0.45 -1.93 0.15 0.00 -0.04 0.00 0.00 33.50 32.13 1f6u n PRO 31 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1f6u n ARG 32 N 2.73 -0.59 -2.67 0.54 1.85 -1.26 -5.05 116.66 112.22 1f6u n ARG 32 Ca 0.34 -2.46 -0.09 0.00 -1.00 0.00 0.00 57.85 54.64 1f6u n ARG 32 Cb 0.65 -0.95 0.03 0.00 -1.05 0.00 0.00 32.46 31.14 1f6u n ARG 32 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1f6u n LYS 33 N -3.25 1.46 -1.54 2.89 2.85 -1.26 -5.06 118.16 114.26 1f6u n LYS 33 Ca 0.17 -3.41 0.00 0.00 -1.05 0.00 0.00 58.31 54.02 1f6u n LYS 33 Cb 0.59 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1f6u n LYS 34 N -0.20 -2.75 -3.53 -1.58 5.02 -1.26 -4.65 118.16 109.20 1f6u n LYS 34 Ca 0.12 2.22 -0.13 0.00 -2.02 0.00 0.00 58.31 58.49 1f6u n LYS 34 Cb 0.81 -2.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.29 1f6u n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1f6u s GLY 35 N -0.29 -0.44 -0.47 0.72 0.00 -1.10 -1.57 107.32 104.18 1f6u s GLY 35 Ca 0.00 1.50 -0.28 0.00 0.00 0.00 0.00 44.72 45.94 1f6u s GLY 35 CO 0.00 0.83 1.70 0.00 0.00 0.00 0.00 173.10 175.63 1f6u n TRP 37 N 10.72 0.67 -0.10 0.00 2.14 -1.26 -0.63 117.44 128.98 1f6u n TRP 37 Ca 0.19 -0.27 -0.11 0.00 2.07 0.00 0.00 57.50 59.38 1f6u n TRP 37 Cb 0.49 -0.13 -0.12 0.00 -0.81 0.00 0.00 31.31 30.73 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1f6u n LYS 38 N 0.37 0.91 -0.06 -2.67 3.00 -1.26 -4.72 118.16 113.73 1f6u n LYS 38 Ca 0.12 0.05 -0.11 0.00 -0.00 0.00 0.00 58.31 58.36 1f6u n LYS 38 Cb 0.46 -1.45 -0.05 0.00 0.00 0.00 0.00 35.03 34.00 1f6u n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f6u n GLY 40 N 2.57 1.99 3.10 0.00 0.00 0.20 -5.02 105.19 108.03 1f6u n GLY 40 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1f6u n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6u s LYS 41 N -0.24 2.69 0.67 1.61 3.01 -1.02 -4.95 119.74 121.50 1f6u s LYS 41 Ca 0.00 -1.03 -0.13 0.00 -1.01 0.00 0.00 55.97 53.80 1f6u s LYS 41 Cb 0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 34.13 1f6u s LYS 41 CO 0.00 -0.35 1.07 -1.83 0.51 0.00 0.00 175.35 174.75 1f6u s GLU 42 N 1.22 2.93 0.00 1.68 1.03 -1.26 -0.04 118.70 124.26 1f6u s GLU 42 Ca -0.00 1.13 0.00 0.00 0.03 0.00 0.00 54.97 56.13 1f6u s GLU 42 Cb -0.16 -1.98 0.00 0.00 -0.80 0.00 0.00 34.13 31.19 1f6u s GLU 42 CO -0.10 -1.11 0.00 0.41 -1.33 0.00 0.00 175.26 173.13 1f6u n GLY 43 N -1.33 1.74 1.49 -3.83 0.00 -0.61 -4.79 105.19 97.86 1f6u n GLY 43 Ca 0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1f6u n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1f6u n HIS 44 N 0.00 0.00 -4.37 1.61 1.44 -1.25 -4.86 115.22 107.79 1f6u n HIS 44 Ca 0.00 -1.19 -0.18 0.00 -2.01 0.00 0.00 57.72 54.34 1f6u n HIS 44 Cb 0.00 0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.02 1f6u n HIS 44 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1f6u s GLN 45 N -2.68 1.48 0.27 -1.40 -2.07 -1.26 0.21 119.66 114.20 1f6u s GLN 45 Ca 0.10 -1.80 0.00 0.00 -1.82 0.00 0.00 55.36 51.85 1f6u s GLN 45 Cb 0.01 -0.56 0.54 0.00 -1.09 0.00 0.00 33.01 31.91 1f6u s GLN 45 CO 0.07 -0.21 1.80 1.98 -1.32 0.00 0.00 175.29 177.61 1f6u h MET 46 N 2.31 0.79 -0.51 9.60 1.85 -1.90 0.62 114.93 127.68 1f6u h MET 46 Ca -0.39 -0.05 0.15 0.00 -0.61 0.00 0.00 59.70 58.80 1f6u h MET 46 Cb 1.24 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 33.07 1f6u h MET 46 CO 0.65 0.52 0.41 -0.22 -0.40 0.00 0.00 176.91 177.87 1f6u h LYS 47 N 0.81 0.00 -0.02 0.39 1.63 -1.99 0.19 116.57 117.58 1f6u h LYS 47 Ca 0.48 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.23 1f6u h LYS 47 Cb 0.57 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.11 1f6u h LYS 47 CO -0.31 0.00 -0.62 -3.47 -3.45 0.00 0.00 179.45 171.60 1f6u n ASP 48 N -4.14 1.62 -4.54 4.20 -0.08 0.14 -5.07 116.55 108.68 1f6u n ASP 48 Ca 0.09 -3.50 -0.44 0.00 -1.51 0.00 0.00 54.79 49.44 1f6u n ASP 48 Cb 0.63 -0.48 -0.01 0.00 2.34 0.00 0.00 41.12 43.60 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f6u n THR 50 N -0.17 0.17 -3.69 0.00 5.66 -1.26 -5.03 114.28 109.96 1f6u n THR 50 Ca 0.11 -0.38 -0.24 0.00 -3.05 0.00 0.00 64.05 60.49 1f6u n THR 50 Cb 0.34 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 1f6u n THR 50 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1f6u n GLU 51 N -0.09 -1.30 -2.60 1.09 1.02 -1.26 -4.78 120.64 112.73 1f6u n GLU 51 Ca 0.00 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.34 1f6u n GLU 51 Cb 0.18 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 1f6u n GLU 51 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1f6u s ARG 52 N -4.85 3.18 0.53 3.49 3.00 -1.26 -4.76 118.95 118.28 1f6u s ARG 52 Ca 0.03 -0.34 0.00 0.00 -1.00 0.00 0.00 55.73 54.42 1f6u s ARG 52 Cb -0.02 -4.20 0.00 0.00 0.00 0.00 0.00 34.95 30.73 1f6u s ARG 52 CO 0.81 -2.10 0.00 1.04 0.00 0.00 0.00 175.30 175.05 1f6u n GLN 53 N 9.12 -4.51 -4.34 5.12 6.02 -1.26 -4.96 117.38 122.57 1f6u n GLN 53 Ca 0.02 3.37 -0.17 0.00 -0.01 0.00 0.00 57.00 60.21 1f6u n GLN 53 Cb 0.48 -3.84 -0.10 0.00 1.02 0.00 0.00 30.24 27.80 1f6u n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6u s ALA 54 N -3.65 1.85 0.00 -1.58 0.00 -1.26 -5.05 121.76 112.07 1f6u s ALA 54 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1f6u s ALA 54 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1f6u s ALA 54 CO 0.00 -0.32 0.06 0.27 0.00 0.00 0.00 175.76 175.76