#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6u h GLN 2 N 0.00 0.57 -0.80 0.03 3.07 -2.08 0.13 115.11 116.03 1f6u h GLN 2 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 1f6u h GLN 2 Cb 0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 27.48 27.39 1f6u h GLN 2 CO 0.00 0.38 0.49 0.87 0.09 0.00 0.00 178.83 180.66 1f6u h LYS 3 N 0.59 1.08 0.00 0.06 6.56 -2.09 -0.08 116.57 122.70 1f6u h LYS 3 Ca 0.44 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1f6u h LYS 3 Cb 0.60 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1f6u h LYS 3 CO -0.35 0.76 0.03 0.78 -2.06 0.00 0.00 179.45 178.60 1f6u h GLY 4 N 1.10 0.00 1.15 3.86 0.00 -1.23 -0.80 103.07 107.14 1f6u h GLY 4 Ca 0.29 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1f6u h GLY 4 CO -0.05 0.00 0.43 3.43 0.00 0.00 0.00 176.54 180.34 1f6u h ASN 5 N 0.00 0.59 0.00 0.19 4.21 -0.50 0.26 115.58 120.32 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1f6u h ASN 5 Cb 0.06 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1f6u h ASN 5 CO 0.00 0.39 0.01 0.33 -1.29 0.00 0.00 177.43 176.86 1f6u n PHE 6 N -4.47 0.59 0.18 1.19 7.35 -0.31 -1.42 117.46 120.57 1f6u n PHE 6 Ca 0.09 0.31 0.11 0.00 -0.76 0.00 0.00 57.45 57.20 1f6u n PHE 6 Cb 0.21 -0.99 0.61 0.00 0.35 0.00 0.00 39.48 39.66 1f6u n PHE 6 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1f6u h ARG 7 N 0.00 0.00 0.00 -4.13 9.65 -0.66 0.29 114.38 119.53 1f6u h ARG 7 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1f6u h ARG 7 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1f6u h ARG 7 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 179.97 183.04 1f6u n ASN 8 N -2.30 0.47 0.02 -3.80 6.94 -0.51 -1.47 115.26 114.60 1f6u n ASN 8 Ca -0.01 0.71 0.17 0.00 -0.02 0.00 0.00 54.58 55.43 1f6u n ASN 8 Cb 0.08 -0.78 0.64 0.00 -2.36 0.00 0.00 39.78 37.37 1f6u n ASN 8 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1f6u h GLN 9 N 0.00 0.08 -0.01 -3.83 4.15 -1.03 0.25 115.11 114.73 1f6u h GLN 9 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1f6u h GLN 9 Cb 0.03 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 1f6u h GLN 9 CO 0.00 0.05 0.23 0.00 -1.93 0.00 0.00 178.83 177.18 1f6u h ARG 10 N 0.08 0.00 -0.79 1.69 3.08 -1.51 0.32 114.38 117.25 1f6u h ARG 10 Ca 0.23 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.86 1f6u h ARG 10 Cb 0.79 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.42 1f6u h ARG 10 CO -0.02 0.00 -0.97 0.36 -1.07 0.00 0.00 179.97 178.27 1f6u n LYS 11 N -2.97 2.55 0.00 0.04 2.85 0.87 -5.08 118.16 116.42 1f6u n LYS 11 Ca -0.02 -3.85 0.00 0.00 -1.05 0.00 0.00 58.31 53.39 1f6u n LYS 11 Cb 0.29 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1f6u n THR 12 N -0.54 -0.36 -4.37 0.58 -1.04 0.10 -5.06 114.28 103.59 1f6u n THR 12 Ca 0.25 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.09 1f6u n THR 12 Cb 0.84 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.31 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 -0.48 0.00 -3.74 12.58 3.14 -1.26 -3.81 118.33 124.77 1f6u n VAL 13 Ca 0.00 -1.31 -0.28 0.00 -2.96 0.00 0.00 64.34 59.80 1f6u n VAL 13 Cb 0.00 0.32 -0.16 0.00 -1.06 0.00 0.00 33.84 32.93 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 -2.96 0.68 -0.25 1.45 2.20 -1.26 -0.80 119.74 118.80 1f6u s LYS 14 Ca 0.03 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 1f6u s LYS 14 Cb 0.00 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 1f6u s LYS 14 CO 0.02 -0.66 1.49 0.00 -0.36 0.00 0.00 175.35 175.84 1f6u n PHE 16 N 8.11 0.03 -0.02 0.00 -1.74 -1.26 0.14 117.46 122.72 1f6u n PHE 16 Ca 0.17 -0.01 -0.03 0.00 -0.56 0.00 0.00 57.45 57.02 1f6u n PHE 16 Cb 0.46 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.45 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 -0.49 0.84 0.08 5.98 5.15 -1.26 -4.72 115.26 120.84 1f6u n ASN 17 Ca 0.04 0.13 -0.02 0.00 -0.60 0.00 0.00 54.58 54.13 1f6u n ASN 17 Cb 0.03 -0.45 -0.05 0.00 -0.53 0.00 0.00 39.78 38.78 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 1.33 3.05 3.07 0.00 0.00 0.12 -5.04 105.19 107.72 1f6u n GLY 19 Ca -0.03 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.24 -4.43 1.61 5.02 -1.25 -3.98 118.16 113.89 1f6u n LYS 20 Ca 0.00 -0.36 -0.23 0.00 -2.02 0.00 0.00 58.31 55.70 1f6u n LYS 20 Cb 0.00 -1.37 -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 -2.92 1.55 0.00 1.97 -1.05 -1.26 0.25 118.70 117.24 1f6u s GLU 21 Ca 0.39 -1.68 0.00 0.00 -0.15 0.00 0.00 54.97 53.53 1f6u s GLU 21 Cb -0.03 -1.59 0.00 0.00 -0.44 0.00 0.00 34.13 32.07 1f6u s GLU 21 CO 0.49 0.30 0.00 0.41 0.95 0.00 0.00 175.26 177.41 1f6u n GLY 22 N -0.41 1.59 3.28 -3.83 0.00 0.02 -4.82 105.19 101.01 1f6u n GLY 22 Ca -0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.19 1.22 0.32 1.61 -3.43 -1.26 -4.24 115.29 108.31 1f6u s HIS 23 Ca 0.00 -1.38 0.10 0.00 -0.80 0.00 0.00 55.06 52.98 1f6u s HIS 23 Cb 0.00 -0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 30.62 1f6u s HIS 23 CO 0.00 -0.77 -0.03 0.96 -2.00 0.00 0.00 174.74 172.90 1f6u s ILE 24 N -3.88 2.75 0.35 -5.38 -4.36 -1.26 -1.79 121.20 107.64 1f6u s ILE 24 Ca 0.37 -2.03 0.09 0.00 -0.26 0.00 0.00 60.65 58.81 1f6u s ILE 24 Cb 0.04 -2.73 0.32 0.00 1.25 0.00 0.00 42.46 41.35 1f6u s ILE 24 CO 0.16 -0.26 1.86 0.00 0.24 0.00 0.00 174.94 176.94 1f6u h ALA 25 N 1.90 1.83 -1.84 2.27 0.00 -1.90 0.13 119.26 121.65 1f6u h ALA 25 Ca -0.43 0.02 0.53 0.00 0.00 0.00 0.00 54.91 55.04 1f6u h ALA 25 Cb 1.25 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1f6u h ALA 25 CO 0.65 -0.07 1.38 -0.22 0.00 0.00 0.00 179.25 180.99 1f6u h LYS 26 N 0.70 0.00 -0.85 0.00 3.64 -2.00 -0.66 116.57 117.39 1f6u h LYS 26 Ca 0.46 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.50 1f6u h LYS 26 Cb 0.73 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.28 1f6u h LYS 26 CO -0.21 0.00 -0.79 0.27 -2.27 0.00 0.00 179.45 176.44 1f6u n ASN 27 N -3.86 -0.70 -4.62 4.20 2.04 0.40 -5.09 115.26 107.62 1f6u n ASN 27 Ca 0.41 -3.19 -0.43 0.00 -0.44 0.00 0.00 54.58 50.94 1f6u n ASN 27 Cb 1.94 0.61 -0.02 0.00 -2.53 0.00 0.00 39.78 39.77 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 7.64 2.85 -1.33 0.00 1.85 -1.26 -4.96 116.66 121.45 1f6u n ARG 29 Ca 0.17 -1.56 -0.37 0.00 -1.00 0.00 0.00 57.85 55.08 1f6u n ARG 29 Cb 0.46 -1.82 0.04 0.00 -1.05 0.00 0.00 32.46 30.09 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 0.34 -1.89 -0.68 2.89 0.00 -1.26 -4.72 120.51 115.19 1f6u n ALA 30 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1f6u n ALA 30 Cb 0.68 -1.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 0.15 1.36 -3.73 0.00 -0.04 -1.26 -4.73 135.00 126.75 1f6u n PRO 31 Ca 0.10 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1f6u n PRO 31 Cb 0.49 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 2.44 -3.54 -0.41 0.54 1.74 -1.26 -4.95 116.66 111.21 1f6u n ARG 32 Ca 0.26 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.38 1f6u n ARG 32 Cb 0.63 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.27 1f6u n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1f6u n LYS 33 N -0.66 2.81 -0.38 5.56 3.00 -1.26 -4.98 118.16 122.24 1f6u n LYS 33 Ca 0.00 -1.56 0.05 0.00 -0.00 0.00 0.00 58.31 56.80 1f6u n LYS 33 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 35.03 33.22 1f6u n LYS 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1f6u n LYS 34 N 0.37 -0.77 -3.08 1.64 0.00 -1.26 -4.65 118.16 110.41 1f6u n LYS 34 Ca 0.14 0.51 -0.08 0.00 0.00 0.00 0.00 58.31 58.87 1f6u n LYS 34 Cb 0.67 -0.94 -0.01 0.00 0.00 0.00 0.00 35.03 34.75 1f6u n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f6u n GLY 35 N -1.21 1.99 3.68 3.14 0.00 -1.26 -1.35 105.19 110.18 1f6u n GLY 35 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1f6u n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6u n TRP 37 N 6.27 0.00 0.00 0.00 8.01 -1.26 0.72 117.44 131.18 1f6u n TRP 37 Ca 0.18 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.37 1f6u n TRP 37 Cb 0.39 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1f6u n LYS 38 N -1.27 0.00 -0.07 -0.99 4.81 -1.26 -4.65 118.16 114.73 1f6u n LYS 38 Ca 0.08 0.09 -0.12 0.00 -0.87 0.00 0.00 58.31 57.49 1f6u n LYS 38 Cb 0.13 -0.43 -0.05 0.00 0.02 0.00 0.00 35.03 34.69 1f6u n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1f6u n GLY 40 N -0.08 0.82 3.24 0.00 0.00 0.22 -5.02 105.19 104.36 1f6u n GLY 40 Ca -0.05 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1f6u n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f6u s LYS 41 N -0.29 3.15 0.44 1.61 2.20 -1.22 -4.83 119.74 120.81 1f6u s LYS 41 Ca 0.00 -0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 54.59 1f6u s LYS 41 Cb 0.00 -2.53 -0.08 0.00 -1.51 0.00 0.00 37.83 33.71 1f6u s LYS 41 CO 0.00 0.05 1.08 -1.83 -0.36 0.00 0.00 175.35 174.29 1f6u s GLU 42 N 0.71 3.92 0.00 4.03 1.03 -1.26 -0.94 118.70 126.19 1f6u s GLU 42 Ca -0.08 1.55 0.00 0.00 0.03 0.00 0.00 54.97 56.47 1f6u s GLU 42 Cb -0.16 -2.36 0.00 0.00 -0.80 0.00 0.00 34.13 30.81 1f6u s GLU 42 CO 0.01 -0.36 0.00 0.41 -1.33 0.00 0.00 175.26 173.99 1f6u n GLY 43 N 0.22 2.00 3.25 -3.83 0.00 -0.46 -4.89 105.19 101.47 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 -2.38 0.00 0.00 0.00 173.32 170.94 1f6u s HIS 44 N -2.17 1.24 0.49 1.61 -3.43 -1.23 -5.04 115.29 106.76 1f6u s HIS 44 Ca 0.00 -0.80 0.02 0.00 -0.80 0.00 0.00 55.06 53.48 1f6u s HIS 44 Cb 0.00 -0.65 -0.02 0.00 -1.43 0.00 0.00 32.58 30.48 1f6u s HIS 44 CO 0.00 0.03 0.01 1.14 -2.00 0.00 0.00 174.74 173.92 1f6u s GLN 45 N -3.77 2.15 0.15 -0.38 -2.07 -1.26 0.91 119.66 115.38 1f6u s GLN 45 Ca 0.17 -2.35 -0.18 0.00 -1.82 0.00 0.00 55.36 51.18 1f6u s GLN 45 Cb 0.03 -1.51 0.04 0.00 -1.09 0.00 0.00 33.01 30.48 1f6u s GLN 45 CO 0.01 -0.32 1.70 0.52 -1.32 0.00 0.00 175.29 175.87 1f6u h MET 46 N 1.43 0.04 0.00 9.60 2.86 -1.90 0.52 114.93 127.48 1f6u h MET 46 Ca -0.44 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1f6u h MET 46 Cb 1.30 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1f6u h MET 46 CO 0.75 0.03 0.06 -0.22 1.06 0.00 0.00 176.91 178.59 1f6u h LYS 47 N 0.04 0.00 -0.72 1.72 1.63 -2.01 -0.02 116.57 117.22 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 0.21 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 31.43 1f6u h LYS 47 CO -0.28 0.00 -1.00 -0.25 -3.45 0.00 0.00 179.45 174.47 1f6u n ASP 48 N -2.40 2.93 -4.56 4.20 8.00 0.14 -5.04 116.55 119.82 1f6u n ASP 48 Ca -0.02 -2.83 -0.41 0.00 0.71 0.00 0.00 54.79 52.24 1f6u n ASP 48 Cb 0.10 -0.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.69 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f6u n THR 50 N 5.47 0.13 -3.08 0.00 5.66 -1.26 -4.23 114.28 116.96 1f6u n THR 50 Ca -0.04 -0.32 -0.26 0.00 -3.05 0.00 0.00 64.05 60.38 1f6u n THR 50 Cb 0.49 0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 69.67 1f6u n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1f6u n GLU 51 N 0.30 2.85 -3.64 1.09 2.13 -1.26 -4.99 120.64 117.13 1f6u n GLU 51 Ca 0.17 -4.68 -0.39 0.00 0.66 0.00 0.00 57.16 52.93 1f6u n GLU 51 Cb 0.35 -2.18 -0.08 0.00 0.27 0.00 0.00 31.44 29.80 1f6u n GLU 51 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1f6u s ARG 52 N -3.10 2.72 0.10 5.31 3.52 -1.26 -4.68 118.95 121.55 1f6u s ARG 52 Ca 0.46 -2.43 0.00 0.00 -0.13 0.00 0.00 55.73 53.63 1f6u s ARG 52 Cb 0.25 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1f6u s ARG 52 CO -0.10 -1.19 0.00 1.04 -0.81 0.00 0.00 175.30 174.24 1f6u n GLN 53 N 3.74 -3.45 -1.26 5.12 6.02 -1.26 -5.00 117.38 121.29 1f6u n GLN 53 Ca 0.07 2.64 -0.29 0.00 -0.01 0.00 0.00 57.00 59.41 1f6u n GLN 53 Cb 0.40 -2.82 0.20 0.00 1.02 0.00 0.00 30.24 29.04 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 -0.34 1.02 -2.00 -1.58 0.00 -1.26 -5.20 121.76 112.40 1f6u s ALA 54 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1f6u s ALA 54 Cb 0.00 -2.95 0.52 0.00 0.00 0.00 0.00 23.12 20.69 1f6u s ALA 54 CO 0.00 -3.11 0.97 0.09 0.00 0.00 0.00 175.76 173.71