#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6u n GLN 2 N 0.00 -1.30 -0.23 0.03 7.27 -1.26 -2.58 117.38 119.31 1f6u n GLN 2 Ca 0.00 0.94 0.06 0.00 0.07 0.00 0.00 57.00 58.06 1f6u n GLN 2 Cb 0.00 -1.56 0.31 0.00 2.41 0.00 0.00 30.24 31.40 1f6u n GLN 2 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1f6u h LYS 3 N -0.58 0.83 0.00 3.69 1.79 -2.09 0.24 116.57 120.45 1f6u h LYS 3 Ca -0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1f6u h LYS 3 Cb 0.57 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1f6u h LYS 3 CO 0.02 0.55 0.04 0.78 -1.08 0.00 0.00 179.45 179.75 1f6u h GLY 4 N 0.85 0.00 1.10 3.86 0.00 -2.04 -0.75 103.07 106.10 1f6u h GLY 4 Ca 0.34 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1f6u h GLY 4 CO -0.12 0.00 0.46 -0.57 0.00 0.00 0.00 176.54 176.31 1f6u h ASN 5 N 0.00 0.64 0.04 0.19 -0.73 -0.25 0.27 115.58 115.74 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 0.07 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.52 1f6u h ASN 5 CO 0.00 0.42 0.00 0.33 -0.37 0.00 0.00 177.43 177.81 1f6u n PHE 6 N -4.47 0.54 0.16 0.67 7.35 -0.29 -1.36 117.46 120.06 1f6u n PHE 6 Ca 0.10 0.28 0.08 0.00 -0.76 0.00 0.00 57.45 57.15 1f6u n PHE 6 Cb 0.21 -0.95 0.40 0.00 0.35 0.00 0.00 39.48 39.49 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 -2.06 0.10 0.16 -4.13 3.00 0.93 -1.18 116.66 113.48 1f6u n ARG 7 Ca -0.01 0.56 0.11 0.00 -0.00 0.00 0.00 57.85 58.51 1f6u n ARG 7 Cb 0.04 -1.80 0.58 0.00 0.00 0.00 0.00 32.46 31.27 1f6u n ARG 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1f6u n ASN 8 N -2.01 0.57 0.12 6.15 5.15 -0.47 -1.44 115.26 123.34 1f6u n ASN 8 Ca -0.00 0.75 0.18 0.00 -0.60 0.00 0.00 54.58 54.91 1f6u n ASN 8 Cb 0.05 -0.83 0.75 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.24 1.20 4.15 -1.34 0.19 115.11 119.07 1f6u h GLN 9 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1f6u h GLN 9 Cb 0.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1f6u h GLN 9 CO 0.00 0.00 0.28 0.00 -1.93 0.00 0.00 178.83 177.18 1f6u h ARG 10 N 0.00 0.00 -0.67 1.69 3.08 -1.51 -0.57 114.38 116.41 1f6u h ARG 10 Ca 0.15 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.80 1f6u h ARG 10 Cb 0.72 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.36 1f6u h ARG 10 CO -0.00 0.00 -0.97 1.63 -1.07 0.00 0.00 179.97 179.56 1f6u n LYS 11 N -3.68 2.63 -0.29 0.04 5.02 0.64 -5.06 118.16 117.46 1f6u n LYS 11 Ca 0.03 -3.84 0.00 0.00 -2.02 0.00 0.00 58.31 52.48 1f6u n LYS 11 Cb 0.42 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1f6u n THR 12 N -0.61 -1.51 -2.30 -0.18 -1.04 -0.22 -4.98 114.28 103.44 1f6u n THR 12 Ca 0.25 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.13 1f6u n THR 12 Cb 0.87 -1.51 0.08 0.00 -1.82 0.00 0.00 70.33 67.95 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 0.07 0.00 -3.93 12.58 3.14 -1.26 -4.31 118.33 124.62 1f6u n VAL 13 Ca 0.00 -0.84 -0.29 0.00 -2.96 0.00 0.00 64.34 60.25 1f6u n VAL 13 Cb 0.00 -1.20 -0.16 0.00 -1.06 0.00 0.00 33.84 31.41 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 -4.05 1.65 -0.38 1.45 2.20 -1.26 -0.35 119.74 119.01 1f6u s LYS 14 Ca 0.38 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 1f6u s LYS 14 Cb -0.02 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1f6u s LYS 14 CO 0.26 -0.43 1.20 0.00 -0.36 0.00 0.00 175.35 176.02 1f6u n PHE 16 N 7.69 0.11 -0.07 0.00 -1.74 -1.26 0.42 117.46 122.60 1f6u n PHE 16 Ca 0.13 -0.05 -0.11 0.00 -0.56 0.00 0.00 57.45 56.86 1f6u n PHE 16 Cb 0.48 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.44 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 -0.29 1.69 -0.04 5.98 5.15 -1.26 -4.73 115.26 121.76 1f6u n ASN 17 Ca 0.07 0.28 -0.13 0.00 -0.60 0.00 0.00 54.58 54.20 1f6u n ASN 17 Cb 0.10 -0.65 -0.14 0.00 -0.53 0.00 0.00 39.78 38.56 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 1.77 2.76 3.10 0.00 0.00 0.17 -5.03 105.19 107.95 1f6u n GLY 19 Ca -0.26 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1f6u n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6u n LYS 20 N 0.00 -1.11 -4.47 1.61 5.02 -1.26 -3.99 118.16 113.96 1f6u n LYS 20 Ca 0.00 -0.32 -0.24 0.00 -2.02 0.00 0.00 58.31 55.73 1f6u n LYS 20 Cb 0.00 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1f6u s GLU 21 N -2.88 1.66 0.00 1.97 -1.05 -1.26 -0.18 118.70 116.97 1f6u s GLU 21 Ca 0.42 -1.78 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 1f6u s GLU 21 Cb -0.02 -1.67 0.00 0.00 -0.44 0.00 0.00 34.13 32.00 1f6u s GLU 21 CO 0.56 0.27 0.00 0.41 0.95 0.00 0.00 175.26 177.45 1f6u n GLY 22 N -0.62 1.63 3.32 -3.83 0.00 0.53 -4.83 105.19 101.38 1f6u n GLY 22 Ca -0.05 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.42 1.26 0.34 1.61 -3.43 -1.26 -4.09 115.29 108.30 1f6u s HIS 23 Ca 0.00 -1.39 0.09 0.00 -0.80 0.00 0.00 55.06 52.96 1f6u s HIS 23 Cb 0.00 -0.45 -0.06 0.00 -1.43 0.00 0.00 32.58 30.64 1f6u s HIS 23 CO 0.00 -0.84 -0.05 0.96 -2.00 0.00 0.00 174.74 172.81 1f6u s ILE 24 N -3.71 2.43 0.31 -5.38 -4.36 -1.26 -2.01 121.20 107.22 1f6u s ILE 24 Ca 0.36 -2.11 0.05 0.00 -0.26 0.00 0.00 60.65 58.69 1f6u s ILE 24 Cb 0.03 -2.70 0.30 0.00 1.25 0.00 0.00 42.46 41.34 1f6u s ILE 24 CO 0.18 -0.21 1.84 0.00 0.24 0.00 0.00 174.94 177.00 1f6u h ALA 25 N 1.94 1.66 -1.40 2.27 0.00 -1.90 0.18 119.26 122.01 1f6u h ALA 25 Ca -0.42 0.03 0.40 0.00 0.00 0.00 0.00 54.91 54.92 1f6u h ALA 25 Cb 1.25 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1f6u h ALA 25 CO 0.68 0.08 1.25 1.57 0.00 0.00 0.00 179.25 182.83 1f6u h LYS 26 N 0.85 0.00 -0.80 0.00 2.10 -2.00 -0.49 116.57 116.23 1f6u h LYS 26 Ca 0.49 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.81 1f6u h LYS 26 Cb 0.63 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.70 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 -3.60 -0.81 -4.58 7.07 2.04 0.56 -5.08 115.26 110.86 1f6u n ASN 27 Ca 0.31 -3.22 -0.42 0.00 -0.44 0.00 0.00 54.58 50.81 1f6u n ASN 27 Cb 1.67 0.69 -0.02 0.00 -2.53 0.00 0.00 39.78 39.58 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 8.42 1.23 -1.48 0.00 1.85 -1.26 -4.88 116.66 120.54 1f6u n ARG 29 Ca 0.12 -0.35 -0.41 0.00 -1.00 0.00 0.00 57.85 56.22 1f6u n ARG 29 Cb 0.49 -1.18 -0.15 0.00 -1.05 0.00 0.00 32.46 30.57 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1f6u n ALA 30 N -0.31 0.29 1.22 2.89 0.00 -1.26 -4.67 120.51 118.66 1f6u n ALA 30 Ca 0.08 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1f6u n ALA 30 Cb 0.11 -2.24 0.62 0.00 0.00 0.00 0.00 19.45 17.94 1f6u n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1f6u n PRO 31 N 8.40 0.47 0.00 0.00 -0.04 -1.26 -4.68 135.00 137.89 1f6u n PRO 31 Ca 0.65 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1f6u n PRO 31 Cb 0.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1f6u n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1f6u n ARG 32 N -1.19 0.00 0.00 0.54 1.74 -1.26 -5.04 116.66 111.45 1f6u n ARG 32 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1f6u n ARG 32 Cb 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 1f6u n ARG 32 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1f6u n LYS 33 N 0.00 0.00 -1.47 5.56 5.02 -1.26 -5.11 118.16 120.90 1f6u n LYS 33 Ca 0.00 0.00 -0.60 0.00 -2.02 0.00 0.00 58.31 55.69 1f6u n LYS 33 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1f6u n LYS 34 N 0.00 0.00 -3.67 1.97 5.02 -1.26 -4.76 118.16 115.46 1f6u n LYS 34 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1f6u n LYS 34 Cb 0.00 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 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 3.68 -0.30 -0.41 0.72 0.00 -1.21 -1.49 107.32 108.30 1f6u s GLY 35 Ca 1.02 0.59 -0.28 0.00 0.00 0.00 0.00 44.72 46.05 1f6u s GLY 35 CO 0.71 0.33 1.80 0.00 0.00 0.00 0.00 173.10 175.95 1f6u n TRP 37 N 10.99 0.70 -0.11 0.00 4.27 -1.26 -0.78 117.44 131.25 1f6u n TRP 37 Ca 0.22 -0.29 -0.13 0.00 -3.89 0.00 0.00 57.50 53.41 1f6u n TRP 37 Cb 0.48 -0.11 -0.13 0.00 -1.36 0.00 0.00 31.31 30.19 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1f6u n LYS 38 N 0.49 0.75 -0.07 -2.67 3.00 -1.26 -4.68 118.16 113.72 1f6u n LYS 38 Ca 0.13 0.06 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 1f6u n LYS 38 Cb 0.47 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.94 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 2.68 1.94 3.12 0.00 0.00 0.04 -5.11 105.19 107.86 1f6u n GLY 40 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.32 2.94 0.64 1.61 1.02 -0.95 -4.96 119.74 119.72 1f6u s LYS 41 Ca 0.00 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 1f6u s LYS 41 Cb 0.00 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1f6u s LYS 41 CO 0.00 -0.23 1.04 -1.83 -0.92 0.00 0.00 175.35 173.41 1f6u s GLU 42 N 1.28 3.37 0.00 1.68 -1.05 -1.26 0.23 118.70 122.95 1f6u s GLU 42 Ca 0.04 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 55.72 1f6u s GLU 42 Cb -0.13 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 1f6u s GLU 42 CO -0.13 -0.75 0.00 0.41 0.95 0.00 0.00 175.26 175.74 1f6u n GLY 43 N -2.30 2.63 2.01 -3.83 0.00 -0.56 -4.79 105.19 98.35 1f6u n GLY 43 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.53 -0.13 -4.31 1.61 1.44 -1.26 -4.91 115.22 107.14 1f6u n HIS 44 Ca 0.00 -1.64 -0.16 0.00 -2.01 0.00 0.00 57.72 53.91 1f6u n HIS 44 Cb 0.00 0.07 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 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 -2.90 1.26 0.15 -1.40 -2.07 -1.26 0.20 119.66 113.63 1f6u s GLN 45 Ca 0.17 -1.61 -0.19 0.00 -1.82 0.00 0.00 55.36 51.91 1f6u s GLN 45 Cb 0.01 -0.59 0.04 0.00 -1.09 0.00 0.00 33.01 31.37 1f6u s GLN 45 CO 0.12 -0.06 1.68 1.98 -1.32 0.00 0.00 175.29 177.69 1f6u h MET 46 N 2.56 -0.04 0.00 9.60 1.85 -1.90 0.49 114.93 127.49 1f6u h MET 46 Ca -0.38 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.71 1f6u h MET 46 Cb 1.21 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1f6u h MET 46 CO 0.64 -0.02 0.26 -0.22 -0.40 0.00 0.00 176.91 177.17 1f6u h LYS 47 N -0.04 0.00 -0.53 0.39 1.63 -2.01 0.41 116.57 116.42 1f6u h LYS 47 Ca 0.15 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.56 1f6u h LYS 47 Cb 0.26 0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 31.54 1f6u h LYS 47 CO -0.33 0.00 -0.83 -3.47 -3.45 0.00 0.00 179.45 171.37 1f6u n ASP 48 N -2.90 3.61 -4.81 4.20 -0.08 0.15 -5.06 116.55 111.64 1f6u n ASP 48 Ca -0.02 -3.38 -0.33 0.00 -1.51 0.00 0.00 54.79 49.55 1f6u n ASP 48 Cb 0.31 -0.39 -0.02 0.00 2.34 0.00 0.00 41.12 43.36 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 -1.64 0.95 -2.63 0.00 -2.24 -1.26 -4.26 114.28 103.20 1f6u n THR 50 Ca 0.08 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.89 1f6u n THR 50 Cb 0.53 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1f6u n THR 50 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1f6u n GLU 51 N -2.78 3.91 -0.08 -0.78 2.13 -1.26 -4.73 120.64 117.05 1f6u n GLU 51 Ca -0.07 -4.57 -0.10 0.00 0.66 0.00 0.00 57.16 53.09 1f6u n GLU 51 Cb 0.74 -2.32 -0.05 0.00 0.27 0.00 0.00 31.44 30.08 1f6u n GLU 51 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1f6u h ARG 52 N 3.31 0.00 -2.43 5.31 2.43 -1.94 -3.49 114.38 117.57 1f6u h ARG 52 Ca 0.35 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 1f6u h ARG 52 Cb 0.45 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.79 1f6u h ARG 52 CO 1.02 0.32 -0.04 -0.65 -1.51 0.00 0.00 179.97 179.11 1f6u s GLN 53 N -2.23 0.76 0.35 0.20 -1.52 -1.26 -5.14 119.66 110.82 1f6u s GLN 53 Ca -0.18 0.42 -0.26 0.00 -1.95 0.00 0.00 55.36 53.39 1f6u s GLN 53 Cb 0.03 0.36 -0.13 0.00 -0.22 0.00 0.00 33.01 33.05 1f6u s GLN 53 CO 0.33 -0.17 0.89 0.00 -0.25 0.00 0.00 175.29 176.08 1f6u n ALA 54 N 1.94 -0.51 0.87 6.09 0.00 -1.26 -5.14 120.51 122.50 1f6u n ALA 54 Ca -0.17 0.30 0.07 0.00 0.00 0.00 0.00 53.44 53.64 1f6u n ALA 54 Cb 0.56 -1.97 0.41 0.00 0.00 0.00 0.00 19.45 18.46 1f6u n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59