#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 0.00 0.33 2.12 6.02 -1.26 -4.83 117.38 119.76 1f6u n GLN 2 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 1f6u n GLN 2 Cb 0.00 0.00 1.07 0.00 1.02 0.00 0.00 30.24 32.33 1f6u n GLN 2 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1f6u h LYS 3 N 0.00 0.00 0.00 -1.09 1.57 -2.09 0.10 116.57 115.06 1f6u h LYS 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f6u h LYS 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1f6u h LYS 3 CO 0.00 0.00 0.02 0.78 -0.57 0.00 0.00 179.45 179.68 1f6u h GLY 4 N 0.00 0.00 1.15 3.86 0.00 -2.04 -0.85 103.07 105.20 1f6u h GLY 4 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1f6u h GLY 4 CO -0.00 0.00 0.42 -0.57 0.00 0.00 0.00 176.54 176.39 1f6u h ASN 5 N 0.00 0.56 0.00 0.19 -1.24 -1.15 0.25 115.58 114.18 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1f6u h ASN 5 Cb 0.05 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1f6u h ASN 5 CO 0.00 0.37 0.03 0.33 -1.29 0.00 0.00 177.43 176.87 1f6u n PHE 6 N -4.47 0.67 0.25 0.67 7.35 -0.32 -1.48 117.46 120.12 1f6u n PHE 6 Ca 0.09 0.35 0.14 0.00 -0.76 0.00 0.00 57.45 57.27 1f6u n PHE 6 Cb 0.22 -1.04 0.75 0.00 0.35 0.00 0.00 39.48 39.77 1f6u n PHE 6 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1f6u h ARG 7 N 0.00 0.00 0.00 -4.13 3.08 -0.68 0.20 114.38 112.84 1f6u h ARG 7 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f6u h ARG 7 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1f6u h ARG 7 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.17 1f6u n ASN 8 N -2.58 0.56 -0.09 7.04 6.94 -0.55 -1.42 115.26 125.17 1f6u n ASN 8 Ca -0.02 0.76 0.13 0.00 -0.02 0.00 0.00 54.58 55.43 1f6u n ASN 8 Cb 0.21 -0.83 0.52 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 0.36 -0.49 -3.83 -0.00 -0.56 0.37 115.11 110.97 1f6u h GLN 9 Ca 0.00 -0.02 0.14 0.00 -0.00 0.00 0.00 58.65 58.77 1f6u h GLN 9 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 1f6u h GLN 9 CO 0.00 0.24 0.78 0.07 0.00 0.00 0.00 178.83 179.92 1f6u h ARG 10 N 0.38 0.00 0.00 1.69 0.11 -1.48 0.87 114.38 115.95 1f6u h ARG 10 Ca 0.29 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.29 1f6u h ARG 10 Cb 0.62 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 1f6u h ARG 10 CO -0.08 0.00 -1.56 1.17 0.10 0.00 0.00 179.97 179.61 1f6u n LYS 11 N -3.21 1.26 0.00 0.08 3.00 0.05 -5.09 118.16 114.25 1f6u n LYS 11 Ca 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1f6u n LYS 11 Cb 0.95 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 34.73 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1f6u n THR 12 N -2.08 0.00 -4.03 3.15 -1.04 0.30 -5.01 114.28 105.57 1f6u n THR 12 Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.84 1f6u n THR 12 Cb 0.51 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.99 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 -1.10 0.00 -4.38 12.58 3.14 -1.26 -3.19 118.33 124.13 1f6u n VAL 13 Ca 0.00 -1.13 -0.23 0.00 -2.96 0.00 0.00 64.34 60.02 1f6u n VAL 13 Cb 0.00 0.61 -0.16 0.00 -1.06 0.00 0.00 33.84 33.22 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 -2.59 1.33 -0.41 1.45 2.20 -1.25 -0.82 119.74 119.65 1f6u s LYS 14 Ca 0.19 -0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.33 1f6u s LYS 14 Cb 0.00 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.16 1f6u s LYS 14 CO 0.13 -0.03 0.53 0.00 -0.36 0.00 0.00 175.35 175.62 1f6u n PHE 16 N 5.87 0.17 -0.09 0.00 -1.74 -1.26 0.04 117.46 120.44 1f6u n PHE 16 Ca -0.05 -0.08 -0.17 0.00 -0.56 0.00 0.00 57.45 56.59 1f6u n PHE 16 Cb 0.48 -0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.42 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 -0.14 1.68 -0.04 5.98 5.15 -1.26 -4.72 115.26 121.92 1f6u n ASN 17 Ca 0.04 0.29 -0.16 0.00 -0.60 0.00 0.00 54.58 54.15 1f6u n ASN 17 Cb 0.11 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 38.55 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 1.88 1.33 3.20 0.00 0.00 0.11 -5.08 105.19 106.63 1f6u n GLY 19 Ca -0.30 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1f6u n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f6u s LYS 20 N -1.26 0.98 0.43 1.61 2.20 -1.16 -4.88 119.74 117.66 1f6u s LYS 20 Ca 0.00 -0.95 -0.03 0.00 -0.36 0.00 0.00 55.97 54.64 1f6u s LYS 20 Cb 0.00 -1.07 -0.03 0.00 -1.51 0.00 0.00 37.83 35.22 1f6u s LYS 20 CO 0.00 0.25 0.69 -1.83 -0.36 0.00 0.00 175.35 174.10 1f6u s GLU 21 N -1.55 3.52 0.00 4.03 1.03 -1.26 0.27 118.70 124.74 1f6u s GLU 21 Ca 0.02 -0.02 0.00 0.00 0.03 0.00 0.00 54.97 55.00 1f6u s GLU 21 Cb -0.09 -2.49 0.00 0.00 -0.80 0.00 0.00 34.13 30.75 1f6u s GLU 21 CO 0.02 -0.06 0.00 0.41 -1.33 0.00 0.00 175.26 174.30 1f6u n GLY 22 N -2.07 1.56 3.50 -3.83 0.00 -0.00 -4.87 105.19 99.48 1f6u n GLY 22 Ca -0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.80 0.32 1.61 -3.43 -1.26 -4.43 115.29 107.64 1f6u s HIS 23 Ca 0.00 -1.09 0.10 0.00 -0.80 0.00 0.00 55.06 53.26 1f6u s HIS 23 Cb 0.00 -0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 31.08 1f6u s HIS 23 CO 0.00 -1.05 -0.08 0.96 -2.00 0.00 0.00 174.74 172.57 1f6u s ILE 24 N -3.47 2.50 0.32 -5.38 -4.36 -1.26 -2.18 121.20 107.37 1f6u s ILE 24 Ca 0.28 -2.16 0.06 0.00 -0.26 0.00 0.00 60.65 58.57 1f6u s ILE 24 Cb 0.00 -2.63 0.31 0.00 1.25 0.00 0.00 42.46 41.38 1f6u s ILE 24 CO 0.15 -0.26 1.84 0.00 0.24 0.00 0.00 174.94 176.92 1f6u h ALA 25 N 2.00 1.70 -1.86 2.27 0.00 -1.90 0.15 119.26 121.61 1f6u h ALA 25 Ca -0.42 0.03 0.54 0.00 0.00 0.00 0.00 54.91 55.06 1f6u h ALA 25 Cb 1.25 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1f6u h ALA 25 CO 0.66 0.04 1.40 -0.22 0.00 0.00 0.00 179.25 181.13 1f6u h LYS 26 N 0.81 0.00 -0.88 0.00 3.64 -1.98 -0.51 116.57 117.65 1f6u h LYS 26 Ca 0.48 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.52 1f6u h LYS 26 Cb 0.66 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.21 1f6u h LYS 26 CO -0.25 0.00 -0.80 0.27 -2.27 0.00 0.00 179.45 176.40 1f6u n ASN 27 N -3.85 -0.67 -4.78 4.20 2.04 0.43 -5.12 115.26 107.51 1f6u n ASN 27 Ca 0.42 -3.20 -0.37 0.00 -0.44 0.00 0.00 54.58 51.00 1f6u n ASN 27 Cb 1.96 0.59 -0.03 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 h ARG 29 N 2.36 0.40 -5.18 0.00 2.47 -1.92 -3.42 114.38 109.09 1f6u h ARG 29 Ca -0.49 -0.02 -0.57 0.00 -1.26 0.00 0.00 59.98 57.64 1f6u h ARG 29 Cb 1.22 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 29.38 1f6u h ARG 29 CO 0.62 0.26 1.59 0.00 0.56 0.00 0.00 179.97 183.00 1f6u n ALA 30 N -2.51 0.26 -0.75 0.04 0.00 -1.26 -4.68 120.51 111.62 1f6u n ALA 30 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1f6u n ALA 30 Cb 0.22 -2.16 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 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 8.01 1.50 -0.95 0.00 -0.04 -1.26 -4.83 135.00 137.43 1f6u n PRO 31 Ca 0.61 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1f6u n PRO 31 Cb 0.01 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1f6u n PRO 31 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1f6u n ARG 32 N 2.61 -2.59 0.00 0.54 0.00 -1.26 -5.05 116.66 110.91 1f6u n ARG 32 Ca 0.32 1.97 0.00 0.00 -0.00 0.00 0.00 57.85 60.14 1f6u n ARG 32 Cb 0.69 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.78 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 -1.67 0.00 -1.43 -0.14 3.00 -1.26 -5.11 118.16 111.55 1f6u n LYS 33 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.31 57.68 1f6u n LYS 33 Cb 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.09 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1f6u n LYS 34 N 0.00 0.02 -3.62 1.64 5.02 -1.26 -4.85 118.16 115.11 1f6u n LYS 34 Ca 0.00 0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1f6u n LYS 34 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 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 4.96 -0.01 -0.48 0.72 0.00 -0.90 -1.58 107.32 110.03 1f6u s GLY 35 Ca 1.15 2.70 -0.27 0.00 0.00 0.00 0.00 44.72 48.29 1f6u s GLY 35 CO 0.71 1.40 1.81 0.00 0.00 0.00 0.00 173.10 177.02 1f6u n TRP 37 N 11.53 0.86 -0.06 0.00 -0.00 -1.26 -0.96 117.44 127.55 1f6u n TRP 37 Ca 0.21 -0.31 -0.07 0.00 -0.00 0.00 0.00 57.50 57.34 1f6u n TRP 37 Cb 0.50 -0.25 -0.09 0.00 -0.00 0.00 0.00 31.31 31.47 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 0.30 1.64 -0.07 -2.67 0.00 -1.26 -4.74 118.16 111.36 1f6u n LYS 38 Ca 0.12 0.01 -0.12 0.00 0.00 0.00 0.00 58.31 58.33 1f6u n LYS 38 Cb 0.62 -1.32 -0.05 0.00 0.00 0.00 0.00 35.03 34.28 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 2.54 2.00 3.06 0.00 0.00 -0.13 -5.12 105.19 107.54 1f6u n GLY 40 Ca -0.25 0.00 -0.32 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 2.56 0.69 1.61 1.02 -1.02 -4.97 119.74 119.38 1f6u s LYS 41 Ca 0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 1f6u s LYS 41 Cb 0.00 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1f6u s LYS 41 CO 0.00 -0.27 1.06 -1.83 -0.92 0.00 0.00 175.35 173.39 1f6u s GLU 42 N 1.36 2.98 0.00 1.68 -1.05 -1.26 0.26 118.70 122.66 1f6u s GLU 42 Ca 0.03 0.78 0.00 0.00 -0.15 0.00 0.00 54.97 55.63 1f6u s GLU 42 Cb -0.14 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 1f6u s GLU 42 CO -0.11 -1.02 0.00 0.41 0.95 0.00 0.00 175.26 175.49 1f6u n GLY 43 N -2.36 2.59 0.98 -3.83 0.00 -0.61 -4.78 105.19 97.17 1f6u n GLY 43 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.46 -0.07 -4.35 1.61 1.44 -1.26 -4.83 115.22 107.30 1f6u n HIS 44 Ca 0.00 -0.80 -0.18 0.00 -2.01 0.00 0.00 57.72 54.73 1f6u n HIS 44 Cb 0.00 0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.05 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 -2.44 1.53 0.16 -1.40 -2.07 -1.26 0.22 119.66 114.41 1f6u s GLN 45 Ca 0.08 -1.86 -0.16 0.00 -1.82 0.00 0.00 55.36 51.60 1f6u s GLN 45 Cb 0.00 -0.26 0.08 0.00 -1.09 0.00 0.00 33.01 31.75 1f6u s GLN 45 CO 0.06 -0.36 1.71 1.98 -1.32 0.00 0.00 175.29 177.36 1f6u h MET 46 N 2.26 0.14 0.00 9.60 1.85 -1.90 0.64 114.93 127.52 1f6u h MET 46 Ca -0.36 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.72 1f6u h MET 46 Cb 1.25 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1f6u h MET 46 CO 0.58 0.09 0.00 1.63 -0.40 0.00 0.00 176.91 178.81 1f6u n LYS 47 N -5.14 0.06 -0.28 0.39 5.02 -1.26 -0.17 118.16 116.78 1f6u n LYS 47 Ca 0.02 0.50 0.08 0.00 -2.02 0.00 0.00 58.31 56.88 1f6u n LYS 47 Cb 0.18 -1.67 0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1f6u n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1f6u n ASP 48 N -1.80 1.86 -4.78 4.39 2.03 0.16 -4.99 116.55 113.42 1f6u n ASP 48 Ca 0.00 -3.05 -0.33 0.00 0.52 0.00 0.00 54.79 51.94 1f6u n ASP 48 Cb 0.06 -0.41 0.04 0.00 -0.72 0.00 0.00 41.12 40.08 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6u n THR 50 N -2.32 0.59 0.12 0.00 -2.24 -1.26 -4.37 114.28 104.80 1f6u n THR 50 Ca 0.10 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1f6u n THR 50 Cb 0.52 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.37 -5.27 -0.78 4.81 -1.95 -3.45 114.58 107.57 1f6u h GLU 51 Ca -0.06 0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.53 1f6u h GLU 51 Cb 1.16 0.08 -0.31 0.00 0.63 0.00 0.00 28.75 30.32 1f6u h GLU 51 CO 0.01 -0.16 -0.84 0.50 -0.73 0.00 0.00 179.01 177.79 1f6u s ARG 52 N -3.06 3.15 0.10 1.92 3.52 -1.26 -4.87 118.95 118.45 1f6u s ARG 52 Ca -0.08 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 1f6u s ARG 52 Cb 0.01 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1f6u s ARG 52 CO 0.26 0.10 0.00 0.94 -0.81 0.00 0.00 175.30 175.79 1f6u n GLN 53 N 3.78 0.00 -3.28 5.12 -0.06 -1.26 -4.26 117.38 117.42 1f6u n GLN 53 Ca -0.19 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.68 1f6u n GLN 53 Cb 0.52 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.74 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 -3.05 -2.52 0.48 1.69 0.00 -1.26 -5.15 120.51 110.70 1f6u n ALA 54 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1f6u n ALA 54 Cb 0.00 -4.00 0.05 0.00 0.00 0.00 0.00 19.45 15.50 1f6u n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59