#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 -3.33 -0.35 2.12 0.00 -1.26 -4.41 117.38 110.15 1f6u n GLN 2 Ca 0.00 2.59 -0.01 0.00 -0.00 0.00 0.00 57.00 59.58 1f6u n GLN 2 Cb 0.00 -2.97 0.13 0.00 0.00 0.00 0.00 30.24 27.39 1f6u n GLN 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1f6u h LYS 3 N 2.67 1.15 -0.06 3.69 2.10 -2.08 0.47 116.57 124.51 1f6u h LYS 3 Ca 0.00 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1f6u h LYS 3 Cb 0.00 -0.26 -0.00 0.00 -0.90 0.00 0.00 32.23 31.07 1f6u h LYS 3 CO 0.00 0.76 0.07 0.78 -2.00 0.00 0.00 179.45 179.07 1f6u h GLY 4 N 1.19 0.00 1.08 0.07 0.00 -2.03 -0.22 103.07 103.15 1f6u h GLY 4 Ca 0.37 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.77 1f6u h GLY 4 CO -0.12 0.00 0.44 -0.57 0.00 0.00 0.00 176.54 176.29 1f6u h ASN 5 N 0.00 0.57 -0.03 0.19 -0.73 -1.10 0.21 115.58 114.68 1f6u h ASN 5 Ca 0.03 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.21 1f6u h ASN 5 Cb 0.18 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 1f6u h ASN 5 CO -0.00 0.36 0.05 0.15 -0.37 0.00 0.00 177.43 177.62 1f6u h PHE 6 N 0.64 0.00 0.00 0.67 3.04 -1.12 0.37 116.94 120.54 1f6u h PHE 6 Ca 0.29 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1f6u h PHE 6 Cb 0.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1f6u h PHE 6 CO -0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 178.31 174.16 1f6u n ARG 7 N -3.54 0.13 0.14 1.11 3.00 0.75 -1.00 116.66 117.24 1f6u n ARG 7 Ca -0.02 0.61 0.10 0.00 -0.00 0.00 0.00 57.85 58.54 1f6u n ARG 7 Cb 0.14 -1.90 0.52 0.00 0.00 0.00 0.00 32.46 31.21 1f6u n ARG 7 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1f6u n ASN 8 N -2.16 0.51 0.20 6.15 6.94 0.12 -1.50 115.26 125.52 1f6u n ASN 8 Ca -0.01 0.72 0.18 0.00 -0.02 0.00 0.00 54.58 55.45 1f6u n ASN 8 Cb 0.04 -0.80 0.83 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.00 -0.19 -3.83 5.75 -1.19 0.18 115.11 115.83 1f6u h GLN 9 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1f6u h GLN 9 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1f6u h GLN 9 CO 0.00 0.00 0.24 -0.09 -2.65 0.00 0.00 178.83 176.33 1f6u h ARG 10 N 0.00 0.00 -0.28 1.69 2.43 -1.53 0.80 114.38 117.50 1f6u h ARG 10 Ca 0.10 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.05 1f6u h ARG 10 Cb 0.63 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 29.96 1f6u h ARG 10 CO -0.00 0.00 -0.73 1.17 -1.51 0.00 0.00 179.97 178.90 1f6u n LYS 11 N -3.69 2.04 0.00 0.20 4.81 0.63 -5.09 118.16 117.06 1f6u n LYS 11 Ca 0.02 -3.43 0.00 0.00 -0.87 0.00 0.00 58.31 54.03 1f6u n LYS 11 Cb 0.36 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.79 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 -0.73 0.00 -4.37 3.15 -1.04 0.27 -5.08 114.28 106.48 1f6u n THR 12 Ca 0.24 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.07 1f6u n THR 12 Cb 0.85 0.00 -0.05 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 -1.22 0.00 -3.87 12.58 3.14 -1.26 -3.96 118.33 123.74 1f6u n VAL 13 Ca 0.00 -1.66 -0.18 0.00 -2.96 0.00 0.00 64.34 59.54 1f6u n VAL 13 Cb 0.00 0.56 -0.16 0.00 -1.06 0.00 0.00 33.84 33.18 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 -3.11 0.27 -0.29 1.45 2.20 -1.25 -0.96 119.74 118.05 1f6u s LYS 14 Ca 0.13 0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 1f6u s LYS 14 Cb 0.01 -0.52 0.01 0.00 -1.51 0.00 0.00 37.83 35.82 1f6u s LYS 14 CO 0.09 -0.17 1.06 0.00 -0.36 0.00 0.00 175.35 175.96 1f6u n PHE 16 N 6.70 0.27 -0.03 0.00 -1.74 -1.26 0.49 117.46 121.89 1f6u n PHE 16 Ca 0.12 -0.11 -0.07 0.00 -0.56 0.00 0.00 57.45 56.83 1f6u n PHE 16 Cb 0.47 -0.08 -0.02 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 -0.01 0.67 -0.11 5.98 5.15 -1.26 -4.81 115.26 120.86 1f6u n ASN 17 Ca 0.05 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 54.00 1f6u n ASN 17 Cb 0.25 -0.26 -0.14 0.00 -0.53 0.00 0.00 39.78 39.10 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 2.00 3.10 3.26 0.00 0.00 0.18 -5.03 105.19 108.71 1f6u n GLY 19 Ca -0.38 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 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 0.04 -4.05 1.61 0.00 -1.26 -3.40 118.16 111.11 1f6u n LYS 20 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 58.31 58.11 1f6u n LYS 20 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 35.03 33.94 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 -1.12 3.16 0.00 1.64 1.03 -1.26 -0.01 118.70 122.14 1f6u s GLU 21 Ca 0.58 -0.92 0.00 0.00 0.03 0.00 0.00 54.97 54.66 1f6u s GLU 21 Cb -0.49 -2.71 0.00 0.00 -0.80 0.00 0.00 34.13 30.13 1f6u s GLU 21 CO 0.65 0.41 0.00 0.41 -1.33 0.00 0.00 175.26 175.41 1f6u n GLY 22 N -1.29 1.68 2.21 -3.83 0.00 -0.13 -4.90 105.19 98.94 1f6u n GLY 22 Ca -0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1f6u n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1f6u n HIS 23 N 0.00 -0.55 -4.37 1.61 1.44 -1.26 -4.52 115.22 107.57 1f6u n HIS 23 Ca 0.00 -1.93 -0.19 0.00 -2.01 0.00 0.00 57.72 53.59 1f6u n HIS 23 Cb 0.00 0.20 -0.10 0.00 0.12 0.00 0.00 29.99 30.21 1f6u n HIS 23 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1f6u s ILE 24 N -2.93 1.31 0.12 0.61 2.07 -1.26 -2.21 121.20 118.91 1f6u s ILE 24 Ca 0.27 -2.07 -0.24 0.00 -1.41 0.00 0.00 60.65 57.20 1f6u s ILE 24 Cb 0.01 -2.37 -0.05 0.00 0.13 0.00 0.00 42.46 40.18 1f6u s ILE 24 CO 0.19 -0.33 1.66 0.00 -1.91 0.00 0.00 174.94 174.56 1f6u h ALA 25 N 2.40 -0.18 -1.12 1.50 0.00 -1.89 0.41 119.26 120.37 1f6u h ALA 25 Ca -0.39 0.02 0.32 0.00 0.00 0.00 0.00 54.91 54.86 1f6u h ALA 25 Cb 1.23 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1f6u h ALA 25 CO 0.66 -0.66 1.20 1.57 0.00 0.00 0.00 179.25 182.02 1f6u h LYS 26 N -0.27 0.00 -1.28 0.00 2.10 -2.00 0.16 116.57 115.28 1f6u h LYS 26 Ca 0.07 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.33 1f6u h LYS 26 Cb 0.36 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 31.36 1f6u h LYS 26 CO -0.20 0.00 -0.97 0.27 -2.00 0.00 0.00 179.45 176.55 1f6u n ASN 27 N -3.37 0.00 -4.74 7.07 2.04 0.52 -5.11 115.26 111.67 1f6u n ASN 27 Ca 0.25 -3.11 -0.41 0.00 -0.44 0.00 0.00 54.58 50.88 1f6u n ASN 27 Cb 1.54 0.09 -0.05 0.00 -2.53 0.00 0.00 39.78 38.83 1f6u n ASN 27 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1f6u h ARG 29 N 5.15 0.09 -5.68 0.00 3.08 -1.91 -3.44 114.38 111.68 1f6u h ARG 29 Ca -0.44 -0.01 -0.63 0.00 0.07 0.00 0.00 59.98 58.98 1f6u h ARG 29 Cb 1.21 -0.02 0.11 0.00 0.08 0.00 0.00 29.97 31.35 1f6u h ARG 29 CO 0.70 0.06 -0.56 0.00 -1.07 0.00 0.00 179.97 179.10 1f6u n ALA 30 N -2.58 -2.80 0.09 0.04 0.00 -1.26 -4.84 120.51 109.15 1f6u n ALA 30 Ca 0.06 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 1f6u n ALA 30 Cb 0.39 -1.51 0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 0.85 0.19 -1.67 0.00 0.13 -2.05 -3.50 132.00 125.96 1f6u h PRO 31 Ca -0.28 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1f6u h PRO 31 Cb 1.36 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1f6u h PRO 31 CO 0.53 0.90 -0.39 -2.13 -0.23 0.00 0.00 178.00 176.67 1f6u n ARG 32 N -3.70 -2.11 -2.45 0.86 0.00 -1.26 -5.04 116.66 102.96 1f6u n ARG 32 Ca -0.03 1.53 -0.03 0.00 -0.00 0.00 0.00 57.85 59.32 1f6u n ARG 32 Cb 0.76 -1.69 0.05 0.00 0.00 0.00 0.00 32.46 31.58 1f6u n ARG 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1f6u n LYS 33 N -0.26 0.64 -2.29 -0.14 4.81 -1.26 -5.10 118.16 114.57 1f6u n LYS 33 Ca 0.00 -0.95 0.00 0.00 -0.87 0.00 0.00 58.31 56.49 1f6u n LYS 33 Cb 0.00 0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.12 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1f6u n LYS 34 N -0.64 -5.19 -3.62 1.64 5.02 -1.26 -4.48 118.16 109.63 1f6u n LYS 34 Ca -0.14 3.72 -0.02 0.00 -2.02 0.00 0.00 58.31 59.85 1f6u n LYS 34 Cb 0.72 -4.50 -0.06 0.00 -0.02 0.00 0.00 35.03 31.16 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 -0.56 -0.10 -0.49 0.72 0.00 0.95 -1.51 107.32 106.33 1f6u s GLY 35 Ca 0.00 3.04 -0.28 0.00 0.00 0.00 0.00 44.72 47.49 1f6u s GLY 35 CO 0.00 2.66 1.67 0.00 0.00 0.00 0.00 173.10 177.43 1f6u n TRP 37 N 10.72 0.77 -0.08 0.00 -0.00 -1.26 -0.93 117.44 126.65 1f6u n TRP 37 Ca 0.18 -0.29 -0.09 0.00 -0.00 0.00 0.00 57.50 57.30 1f6u n TRP 37 Cb 0.49 -0.19 -0.11 0.00 -0.00 0.00 0.00 31.31 31.50 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1f6u n LYS 38 N 0.33 1.19 -0.07 -2.67 4.81 -1.26 -4.72 118.16 115.77 1f6u n LYS 38 Ca 0.12 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.46 1f6u n LYS 38 Cb 0.55 -1.38 -0.06 0.00 0.02 0.00 0.00 35.03 34.15 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 2.46 1.94 3.23 0.00 0.00 -0.11 -5.12 105.19 107.59 1f6u n GLY 40 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 3.07 0.55 1.61 1.02 -1.05 -4.98 119.74 119.63 1f6u s LYS 41 Ca 0.00 -0.87 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 1f6u s LYS 41 Cb 0.00 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1f6u s LYS 41 CO 0.00 0.17 0.87 -1.83 -0.92 0.00 0.00 175.35 173.64 1f6u s GLU 42 N 0.36 3.24 0.00 1.68 -1.05 -1.26 0.12 118.70 121.80 1f6u s GLU 42 Ca -0.18 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1f6u s GLU 42 Cb -0.18 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 1f6u s GLU 42 CO 0.08 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.22 1f6u n GLY 43 N -2.47 3.11 1.60 -3.83 0.00 -0.57 -4.85 105.19 98.19 1f6u n GLY 43 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.00 -0.21 -4.34 1.61 1.44 -1.26 -4.80 115.22 106.66 1f6u n HIS 44 Ca 0.00 -1.34 -0.18 0.00 -2.01 0.00 0.00 57.72 54.19 1f6u n HIS 44 Cb 0.00 0.09 -0.10 0.00 0.12 0.00 0.00 29.99 30.10 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 -2.70 1.51 0.18 -1.40 -2.07 -1.26 0.21 119.66 114.13 1f6u s GLN 45 Ca 0.16 -1.84 -0.13 0.00 -1.82 0.00 0.00 55.36 51.73 1f6u s GLN 45 Cb 0.01 -0.24 0.17 0.00 -1.09 0.00 0.00 33.01 31.86 1f6u s GLN 45 CO 0.11 -0.36 1.74 1.98 -1.32 0.00 0.00 175.29 177.44 1f6u h MET 46 N 2.28 0.30 0.00 9.60 1.85 -1.90 0.68 114.93 127.74 1f6u h MET 46 Ca -0.36 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.71 1f6u h MET 46 Cb 1.25 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.21 1f6u h MET 46 CO 0.58 0.20 0.00 1.63 -0.40 0.00 0.00 176.91 178.91 1f6u n LYS 47 N -5.04 0.09 -0.46 0.39 4.76 -1.26 -0.19 118.16 116.45 1f6u n LYS 47 Ca 0.05 0.56 0.06 0.00 -2.87 0.00 0.00 58.31 56.11 1f6u n LYS 47 Cb 0.21 -1.77 0.12 0.00 -1.84 0.00 0.00 35.03 31.74 1f6u n LYS 47 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1f6u n ASP 48 N -1.96 1.58 -4.74 4.39 8.00 0.17 -5.07 116.55 118.92 1f6u n ASP 48 Ca -0.00 -2.97 -0.34 0.00 0.71 0.00 0.00 54.79 52.19 1f6u n ASP 48 Cb 0.04 -0.40 0.07 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.55 0.32 -0.05 0.00 -2.24 -1.26 -4.53 114.28 103.96 1f6u n THR 50 Ca 0.12 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.31 1f6u n THR 50 Cb 0.51 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1f6u n THR 50 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1f6u h GLU 51 N 0.00 0.00 -6.24 -0.78 4.81 -1.96 -3.45 114.58 106.96 1f6u h GLU 51 Ca -0.10 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.44 1f6u h GLU 51 Cb 1.24 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.65 1f6u h GLU 51 CO 0.01 0.11 0.79 0.54 -0.73 0.00 0.00 179.01 179.73 1f6u n ARG 52 N -4.76 1.41 -2.45 1.92 1.74 -1.26 -3.74 116.66 109.52 1f6u n ARG 52 Ca -0.01 0.51 -0.04 0.00 -0.77 0.00 0.00 57.85 57.54 1f6u n ARG 52 Cb 0.06 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.25 1f6u n ARG 52 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1f6u n GLN 53 N 4.52 -3.67 -3.75 5.56 6.02 -1.26 -4.89 117.38 119.91 1f6u n GLN 53 Ca 0.22 2.87 -0.21 0.00 -0.01 0.00 0.00 57.00 59.87 1f6u n GLN 53 Cb 0.19 -4.52 -0.04 0.00 1.02 0.00 0.00 30.24 26.89 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 -0.77 3.89 -0.92 -1.58 0.00 -1.25 -4.99 121.76 116.14 1f6u s ALA 54 Ca -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1f6u s ALA 54 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1f6u s ALA 54 CO 0.67 -0.11 0.23 -1.71 0.00 0.00 0.00 175.76 174.84