#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 -4.54 0.22 3.17 6.02 -1.26 -4.39 117.38 116.60 1f6u n GLN 2 Ca 0.00 3.32 0.06 0.00 -0.01 0.00 0.00 57.00 60.37 1f6u n GLN 2 Cb 0.00 -3.63 0.55 0.00 1.02 0.00 0.00 30.24 28.18 1f6u n GLN 2 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1f6u h LYS 3 N 3.55 0.04 -0.09 -1.09 2.10 -2.08 -0.59 116.57 118.40 1f6u h LYS 3 Ca 0.00 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.67 1f6u h LYS 3 Cb 0.00 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1f6u h LYS 3 CO 0.00 0.12 0.12 0.78 -2.00 0.00 0.00 179.45 178.48 1f6u h GLY 4 N 0.31 0.00 0.96 0.07 0.00 -2.03 -0.11 103.07 102.28 1f6u h GLY 4 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.40 1f6u h GLY 4 CO 0.01 0.00 0.53 3.43 0.00 0.00 0.00 176.54 180.51 1f6u h ASN 5 N 0.00 0.77 0.01 0.19 4.21 -1.30 0.27 115.58 119.74 1f6u h ASN 5 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1f6u h ASN 5 Cb 0.29 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1f6u h ASN 5 CO -0.00 0.50 0.00 0.33 -1.29 0.00 0.00 177.43 176.97 1f6u n PHE 6 N -4.48 0.70 0.21 1.19 7.35 -0.05 -1.43 117.46 120.94 1f6u n PHE 6 Ca 0.12 0.36 0.13 0.00 -0.76 0.00 0.00 57.45 57.30 1f6u n PHE 6 Cb 0.21 -1.08 0.70 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 2.43 -0.58 0.79 114.38 112.88 1f6u h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6u h ARG 7 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1f6u h ARG 7 CO 0.00 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.73 1f6u n ASN 8 N -2.43 0.56 0.05 -3.80 6.94 -0.51 -1.41 115.26 114.66 1f6u n ASN 8 Ca -0.02 0.75 0.14 0.00 -0.02 0.00 0.00 54.58 55.43 1f6u n ASN 8 Cb 0.10 -0.82 0.61 0.00 -2.36 0.00 0.00 39.78 37.31 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 0.13 0.00 -3.83 -0.00 -0.95 0.24 115.11 110.70 1f6u h GLN 9 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1f6u h GLN 9 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.49 1f6u h GLN 9 CO 0.00 0.09 0.11 -0.09 0.00 0.00 0.00 178.83 178.94 1f6u h ARG 10 N 0.14 0.00 -0.62 1.69 2.43 -1.48 0.30 114.38 116.84 1f6u h ARG 10 Ca 0.19 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.92 1f6u h ARG 10 Cb 0.56 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.70 1f6u h ARG 10 CO -0.02 0.00 -0.92 1.17 -1.51 0.00 0.00 179.97 178.69 1f6u n LYS 11 N -2.90 2.93 0.00 0.20 4.81 0.82 -5.08 118.16 118.93 1f6u n LYS 11 Ca -0.02 -3.92 0.00 0.00 -0.87 0.00 0.00 58.31 53.50 1f6u n LYS 11 Cb 0.17 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1f6u n THR 12 N -0.67 -0.02 -4.32 3.15 -1.04 0.10 -5.07 114.28 106.41 1f6u n THR 12 Ca 0.31 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.15 1f6u n THR 12 Cb 0.91 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.32 1f6u n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1f6u s VAL 13 N -3.77 0.41 -0.10 12.58 0.11 -1.26 -3.92 120.40 124.45 1f6u s VAL 13 Ca 0.00 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.08 1f6u s VAL 13 Cb 0.00 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1f6u s VAL 13 CO 0.00 0.00 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.81 1f6u s LYS 14 N -3.93 2.71 -0.42 1.54 2.20 -1.25 0.06 119.74 120.64 1f6u s LYS 14 Ca 0.37 -0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 54.99 1f6u s LYS 14 Cb 0.06 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.30 1f6u s LYS 14 CO 0.15 0.11 0.75 0.00 -0.36 0.00 0.00 175.35 176.01 1f6u n PHE 16 N 6.54 0.35 -0.05 0.00 -1.74 -1.26 0.32 117.46 121.62 1f6u n PHE 16 Ca 0.02 -0.15 -0.11 0.00 -0.56 0.00 0.00 57.45 56.65 1f6u n PHE 16 Cb 0.48 -0.07 -0.04 0.00 1.52 0.00 0.00 39.48 41.37 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 0.09 1.41 -0.05 5.98 5.15 -1.26 -4.75 115.26 121.83 1f6u n ASN 17 Ca 0.07 0.23 0.01 0.00 -0.60 0.00 0.00 54.58 54.29 1f6u n ASN 17 Cb 0.28 -0.54 -0.16 0.00 -0.53 0.00 0.00 39.78 38.83 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 1.49 3.09 3.12 0.00 0.00 0.15 -5.05 105.19 107.99 1f6u n GLY 19 Ca -0.17 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1f6u n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f6u n LYS 20 N 0.00 -0.16 -4.19 1.61 3.00 -1.25 -3.73 118.16 113.44 1f6u n LYS 20 Ca 0.00 -0.03 -0.27 0.00 -0.00 0.00 0.00 58.31 58.00 1f6u n LYS 20 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 35.03 33.73 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1f6u s GLU 21 N -2.49 2.23 0.00 1.64 1.03 -1.26 0.14 118.70 119.99 1f6u s GLU 21 Ca 0.45 -2.03 0.00 0.00 0.03 0.00 0.00 54.97 53.42 1f6u s GLU 21 Cb -0.15 -1.92 0.00 0.00 -0.80 0.00 0.00 34.13 31.26 1f6u s GLU 21 CO 0.76 -0.34 0.00 0.41 -1.33 0.00 0.00 175.26 174.76 1f6u n GLY 22 N -1.42 3.35 3.52 -3.83 0.00 0.11 -4.88 105.19 102.04 1f6u n GLY 22 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.85 0.71 0.30 1.61 -3.43 -1.26 -4.46 115.29 105.91 1f6u s HIS 23 Ca 0.00 -1.02 0.10 0.00 -0.80 0.00 0.00 55.06 53.34 1f6u s HIS 23 Cb 0.00 0.03 -0.05 0.00 -1.43 0.00 0.00 32.58 31.13 1f6u s HIS 23 CO 0.00 -1.04 -0.06 0.96 -2.00 0.00 0.00 174.74 172.61 1f6u s ILE 24 N -3.59 2.82 0.32 -5.38 -4.36 -1.26 -2.28 121.20 107.47 1f6u s ILE 24 Ca 0.27 -2.09 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 1f6u s ILE 24 Cb 0.00 -2.66 0.30 0.00 1.25 0.00 0.00 42.46 41.35 1f6u s ILE 24 CO 0.14 -0.31 1.83 0.00 0.24 0.00 0.00 174.94 176.84 1f6u h ALA 25 N 1.97 1.68 -1.57 2.27 0.00 -1.90 0.18 119.26 121.90 1f6u h ALA 25 Ca -0.42 0.03 0.45 0.00 0.00 0.00 0.00 54.91 54.97 1f6u h ALA 25 Cb 1.25 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1f6u h ALA 25 CO 0.63 0.04 1.32 1.57 0.00 0.00 0.00 179.25 182.81 1f6u h LYS 26 N 0.83 0.00 -0.84 0.00 2.10 -1.99 -0.28 116.57 116.39 1f6u h LYS 26 Ca 0.50 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.81 1f6u h LYS 26 Cb 0.69 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.75 1f6u h LYS 26 CO -0.27 0.00 -0.79 0.27 -2.00 0.00 0.00 179.45 176.66 1f6u n ASN 27 N -3.66 -0.72 -4.79 7.07 2.04 0.57 -5.13 115.26 110.64 1f6u n ASN 27 Ca 0.35 -3.20 -0.35 0.00 -0.44 0.00 0.00 54.58 50.95 1f6u n ASN 27 Cb 1.79 0.63 -0.03 0.00 -2.53 0.00 0.00 39.78 39.63 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 -0.72 2.88 -1.18 0.00 0.00 -1.26 -5.05 116.66 111.32 1f6u n ARG 29 Ca 0.08 -3.85 -0.38 0.00 -0.00 0.00 0.00 57.85 53.71 1f6u n ARG 29 Cb 0.51 -2.04 0.02 0.00 0.00 0.00 0.00 32.46 30.95 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1f6u n ALA 30 N -0.86 -3.72 0.03 5.13 0.00 -1.26 -4.87 120.51 114.95 1f6u n ALA 30 Ca 0.35 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 1f6u n ALA 30 Cb 0.87 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 1f6u n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1f6u h PRO 31 N -0.30 0.66 -6.44 0.00 0.13 -2.03 -3.45 132.00 120.57 1f6u h PRO 31 Ca -0.42 -0.65 -0.47 0.00 -0.87 0.00 0.00 66.00 63.59 1f6u h PRO 31 Cb 1.40 0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.71 1f6u h PRO 31 CO 0.36 1.25 -0.25 1.03 -0.23 0.00 0.00 178.00 180.16 1f6u s ARG 32 N -3.46 3.42 0.28 0.86 3.00 -1.26 -4.99 118.95 116.81 1f6u s ARG 32 Ca -0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 55.73 55.14 1f6u s ARG 32 Cb 0.08 -2.72 0.44 0.00 0.00 0.00 0.00 34.95 32.75 1f6u s ARG 32 CO 0.90 0.18 1.91 -0.22 0.00 0.00 0.00 175.30 178.08 1f6u h LYS 33 N 0.84 1.10 -1.28 3.54 1.63 -1.92 -3.43 116.57 117.05 1f6u h LYS 33 Ca -0.50 -0.07 0.14 0.00 -0.85 0.00 0.00 60.65 59.38 1f6u h LYS 33 Cb 1.23 -0.25 -0.26 0.00 -0.60 0.00 0.00 32.23 32.35 1f6u h LYS 33 CO 0.60 0.73 0.31 0.15 -3.45 0.00 0.00 179.45 177.80 1f6u s LYS 34 N -5.98 0.33 -0.32 1.90 1.02 -1.26 -5.04 119.74 110.40 1f6u s LYS 34 Ca -0.12 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.54 1f6u s LYS 34 Cb 0.19 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.81 1f6u s LYS 34 CO 0.81 -0.09 0.03 0.20 -0.92 0.00 0.00 175.35 175.38 1f6u s GLY 35 N 1.86 1.80 -0.28 -3.33 0.00 -1.14 -0.08 107.32 106.14 1f6u s GLY 35 Ca -0.06 -1.89 -0.28 0.00 0.00 0.00 0.00 44.72 42.49 1f6u s GLY 35 CO -0.16 0.75 2.18 0.00 0.00 0.00 0.00 173.10 175.87 1f6u n TRP 37 N 12.18 0.66 -0.11 0.00 4.27 -1.26 -0.69 117.44 132.49 1f6u n TRP 37 Ca 0.30 -0.29 -0.18 0.00 -3.89 0.00 0.00 57.50 53.44 1f6u n TRP 37 Cb 0.47 -0.08 -0.12 0.00 -1.36 0.00 0.00 31.31 30.21 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 0.55 0.66 -0.08 -2.67 3.00 -1.26 -4.64 118.16 113.72 1f6u n LYS 38 Ca 0.13 0.16 -0.11 0.00 -0.00 0.00 0.00 58.31 58.49 1f6u n LYS 38 Cb 0.43 -1.54 -0.09 0.00 0.00 0.00 0.00 35.03 33.83 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 2.49 1.74 3.48 0.00 0.00 0.13 -5.08 105.19 107.95 1f6u n GLY 40 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.59 2.61 0.33 1.61 1.02 -1.04 -4.96 119.74 118.72 1f6u s LYS 41 Ca 0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 1f6u s LYS 41 Cb 0.00 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1f6u s LYS 41 CO 0.00 0.59 0.56 -1.83 -0.92 0.00 0.00 175.35 173.75 1f6u s GLU 42 N -0.64 3.54 0.00 1.68 1.03 -1.26 -0.31 118.70 122.74 1f6u s GLU 42 Ca 0.09 -0.18 0.00 0.00 0.03 0.00 0.00 54.97 54.92 1f6u s GLU 42 Cb -0.11 -2.64 0.00 0.00 -0.80 0.00 0.00 34.13 30.57 1f6u s GLU 42 CO 0.01 0.16 0.00 0.41 -1.33 0.00 0.00 175.26 174.51 1f6u n GLY 43 N -1.47 3.23 2.49 -3.83 0.00 0.88 -4.90 105.19 101.58 1f6u n GLY 43 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.25 -0.39 -4.24 1.61 1.44 -0.46 -4.61 115.22 107.32 1f6u n HIS 44 Ca 0.00 -2.10 -0.13 0.00 -2.01 0.00 0.00 57.72 53.47 1f6u n HIS 44 Cb 0.00 0.15 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 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 -3.08 1.25 0.28 -1.40 -2.07 -1.26 0.77 119.66 114.15 1f6u s GLN 45 Ca 0.26 -1.66 0.01 0.00 -1.82 0.00 0.00 55.36 52.16 1f6u s GLN 45 Cb 0.01 0.07 0.58 0.00 -1.09 0.00 0.00 33.01 32.58 1f6u s GLN 45 CO 0.18 -0.34 1.80 1.98 -1.32 0.00 0.00 175.29 177.60 1f6u h MET 46 N 2.56 0.80 -0.49 9.60 1.85 -1.90 0.50 114.93 127.85 1f6u h MET 46 Ca -0.37 -0.05 0.14 0.00 -0.61 0.00 0.00 59.70 58.82 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 0.56 0.53 0.36 -0.22 -0.40 0.00 0.00 176.91 177.74 1f6u h LYS 47 N 0.83 0.00 -0.63 0.39 1.63 -2.01 -0.09 116.57 116.68 1f6u h LYS 47 Ca 0.50 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.85 1f6u h LYS 47 Cb 0.62 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.85 1f6u h LYS 47 CO -0.32 0.00 -0.87 -3.47 -3.45 0.00 0.00 179.45 171.34 1f6u n ASP 48 N -4.35 3.98 -4.71 4.20 -0.08 0.14 -5.07 116.55 110.66 1f6u n ASP 48 Ca 0.09 -3.36 -0.32 0.00 -1.51 0.00 0.00 54.79 49.69 1f6u n ASP 48 Cb 0.57 -0.38 0.13 0.00 2.34 0.00 0.00 41.12 43.78 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 -3.58 0.23 0.07 0.00 5.66 -1.26 -4.89 114.28 110.51 1f6u n THR 50 Ca 0.12 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1f6u n THR 50 Cb 0.52 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.16 0.00 -2.65 1.09 1.02 -1.26 -5.11 120.64 113.57 1f6u n GLU 51 Ca 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.10 1f6u n GLU 51 Cb 0.62 -0.38 0.01 0.00 -0.02 0.00 0.00 31.44 31.66 1f6u n GLU 51 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1f6u n ARG 52 N -3.47 -2.21 -3.50 3.49 0.63 -1.26 -4.24 116.66 106.11 1f6u n ARG 52 Ca 0.00 1.99 -0.33 0.00 -0.92 0.00 0.00 57.85 58.59 1f6u n ARG 52 Cb 0.02 -5.07 0.03 0.00 0.45 0.00 0.00 32.46 27.88 1f6u n ARG 52 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f6u n GLN 53 N -0.19 -1.71 -1.74 -0.14 -0.06 -1.26 -4.66 117.38 107.61 1f6u n GLN 53 Ca 0.09 1.14 -0.37 0.00 -2.00 0.00 0.00 57.00 55.85 1f6u n GLN 53 Cb 0.34 -1.95 -0.05 0.00 -4.06 0.00 0.00 30.24 24.52 1f6u n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1f6u n ALA 54 N -0.93 2.99 -0.13 1.69 0.00 -1.26 -5.23 120.51 117.63 1f6u n ALA 54 Ca -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1f6u n ALA 54 Cb 0.66 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.54 1f6u n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79