#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 -0.16 0.03 6.02 -1.26 -4.30 117.38 117.71 1f6u n GLN 2 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1f6u n GLN 2 Cb 0.00 0.00 0.37 0.00 1.02 0.00 0.00 30.24 31.63 1f6u n GLN 2 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1f6u h LYS 3 N 0.00 0.68 0.00 -1.09 3.64 -2.09 0.26 116.57 117.98 1f6u h LYS 3 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1f6u h LYS 3 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1f6u h LYS 3 CO 0.00 0.45 0.01 0.78 -2.27 0.00 0.00 179.45 178.42 1f6u h GLY 4 N 0.70 0.00 1.23 5.01 0.00 -2.04 -1.06 103.07 106.91 1f6u h GLY 4 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1f6u h GLY 4 CO -0.09 0.00 0.39 3.45 0.00 0.00 0.00 176.54 180.28 1f6u h ASN 5 N 0.00 0.51 0.04 0.19 -1.07 -0.83 0.25 115.58 114.68 1f6u h ASN 5 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1f6u h ASN 5 Cb 0.02 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.16 1f6u h ASN 5 CO 0.00 0.34 0.00 0.33 0.07 0.00 0.00 177.43 178.17 1f6u n PHE 6 N -4.47 0.57 0.16 4.14 7.35 -0.40 -1.36 117.46 123.45 1f6u n PHE 6 Ca 0.08 0.29 0.08 0.00 -0.76 0.00 0.00 57.45 57.14 1f6u n PHE 6 Cb 0.21 -0.97 0.39 0.00 0.35 0.00 0.00 39.48 39.46 1f6u n PHE 6 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1f6u n ARG 7 N -2.09 0.10 0.18 -4.13 1.74 0.89 -1.28 116.66 112.06 1f6u n ARG 7 Ca -0.01 0.55 0.12 0.00 -0.77 0.00 0.00 57.85 57.74 1f6u n ARG 7 Cb 0.04 -1.79 0.64 0.00 -1.02 0.00 0.00 32.46 30.33 1f6u n ARG 7 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1f6u h ASN 8 N 0.00 0.00 -0.59 0.55 -1.24 -1.41 -1.22 115.58 111.67 1f6u h ASN 8 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.11 1f6u h ASN 8 Cb 0.06 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1f6u h ASN 8 CO 0.00 0.00 0.40 -0.61 -1.29 0.00 0.00 177.43 175.93 1f6u h GLN 9 N 0.00 0.36 -0.14 6.67 4.15 -1.41 0.23 115.11 124.97 1f6u h GLN 9 Ca 0.00 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1f6u h GLN 9 Cb 0.01 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1f6u h GLN 9 CO 0.00 0.24 0.25 -0.09 -1.93 0.00 0.00 178.83 177.30 1f6u h ARG 10 N 0.37 0.00 -0.76 1.69 9.65 -1.48 -0.31 114.38 123.55 1f6u h ARG 10 Ca 0.27 0.00 -0.42 0.00 -1.10 0.00 0.00 59.98 58.74 1f6u h ARG 10 Cb 0.57 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 28.74 1f6u h ARG 10 CO -0.07 0.00 -0.97 1.17 2.80 0.00 0.00 179.97 182.90 1f6u n LYS 11 N -3.39 2.58 -1.17 0.20 4.81 0.77 -5.06 118.16 116.90 1f6u n LYS 11 Ca 0.01 -3.85 0.00 0.00 -0.87 0.00 0.00 58.31 53.59 1f6u n LYS 11 Cb 0.35 -1.90 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 1.17 0.00 0.00 177.40 180.98 1f6u n THR 12 N -0.56 -6.84 -2.62 3.15 -1.04 -0.13 -5.05 114.28 101.20 1f6u n THR 12 Ca 0.25 1.53 -0.13 0.00 -2.04 0.00 0.00 64.05 63.66 1f6u n THR 12 Cb 0.85 -3.45 0.06 0.00 -1.82 0.00 0.00 70.33 65.97 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 0.77 0.00 -3.76 12.58 3.14 -1.25 -4.48 118.33 125.33 1f6u n VAL 13 Ca 0.00 -0.99 -0.24 0.00 -2.96 0.00 0.00 64.34 60.15 1f6u n VAL 13 Cb 0.00 -0.99 -0.17 0.00 -1.06 0.00 0.00 33.84 31.62 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 -3.86 0.63 -0.36 1.45 2.20 -1.25 -0.11 119.74 118.43 1f6u s LYS 14 Ca 0.38 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 1f6u s LYS 14 Cb -0.02 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 1f6u s LYS 14 CO 0.25 -0.39 1.40 0.00 -0.36 0.00 0.00 175.35 176.25 1f6u n PHE 16 N 8.40 0.06 -0.10 0.00 -1.74 -1.26 0.28 117.46 123.10 1f6u n PHE 16 Ca 0.16 -0.03 -0.15 0.00 -0.56 0.00 0.00 57.45 56.87 1f6u n PHE 16 Cb 0.47 0.00 -0.05 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 -0.39 1.90 -0.03 5.98 5.15 -1.26 -4.65 115.26 121.96 1f6u n ASN 17 Ca 0.16 0.42 -0.15 0.00 -0.60 0.00 0.00 54.58 54.41 1f6u n ASN 17 Cb 0.18 -0.82 -0.14 0.00 -0.53 0.00 0.00 39.78 38.46 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 1.81 2.53 3.06 0.00 0.00 0.14 -5.00 105.19 107.73 1f6u n GLY 19 Ca -0.27 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.71 -4.40 1.61 0.00 -1.25 -4.18 118.16 108.23 1f6u n LYS 20 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 58.31 57.61 1f6u n LYS 20 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 35.03 33.49 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 -3.20 1.47 0.00 1.64 1.03 -1.26 0.29 118.70 118.67 1f6u s GLU 21 Ca 0.39 -1.71 0.00 0.00 0.03 0.00 0.00 54.97 53.68 1f6u s GLU 21 Cb -0.05 -1.15 0.00 0.00 -0.80 0.00 0.00 34.13 32.13 1f6u s GLU 21 CO 0.43 0.10 0.00 0.41 -1.33 0.00 0.00 175.26 174.87 1f6u n GLY 22 N -0.51 1.57 3.30 -3.83 0.00 0.84 -4.87 105.19 101.69 1f6u n GLY 22 Ca -0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.78 1.30 0.34 1.61 -3.43 -1.26 -4.24 115.29 107.83 1f6u s HIS 23 Ca 0.00 -1.42 0.09 0.00 -0.80 0.00 0.00 55.06 52.93 1f6u s HIS 23 Cb 0.00 -0.49 -0.06 0.00 -1.43 0.00 0.00 32.58 30.60 1f6u s HIS 23 CO 0.00 -0.82 -0.01 0.96 -2.00 0.00 0.00 174.74 172.87 1f6u s ILE 24 N -3.75 2.53 0.33 -5.38 -4.36 -1.26 -1.32 121.20 107.99 1f6u s ILE 24 Ca 0.37 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 1f6u s ILE 24 Cb 0.04 -2.76 0.31 0.00 1.25 0.00 0.00 42.46 41.29 1f6u s ILE 24 CO 0.18 -0.20 1.86 0.00 0.24 0.00 0.00 174.94 177.03 1f6u h ALA 25 N 1.86 1.71 -1.51 2.27 0.00 -1.91 0.13 119.26 121.82 1f6u h ALA 25 Ca -0.43 0.02 0.44 0.00 0.00 0.00 0.00 54.91 54.94 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 0.05 1.29 1.57 0.00 0.00 0.00 179.25 182.83 1f6u h LYS 26 N 0.81 0.00 -0.80 0.00 2.10 -2.00 -0.46 116.57 116.22 1f6u h LYS 26 Ca 0.46 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.78 1f6u h LYS 26 Cb 0.61 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.68 1f6u h LYS 26 CO -0.22 0.00 -0.78 0.27 -2.00 0.00 0.00 179.45 176.72 1f6u n ASN 27 N -3.66 -0.76 -4.59 7.07 2.04 0.40 -5.09 115.26 110.68 1f6u n ASN 27 Ca 0.34 -3.18 -0.42 0.00 -0.44 0.00 0.00 54.58 50.88 1f6u n ASN 27 Cb 1.74 0.65 -0.02 0.00 -2.53 0.00 0.00 39.78 39.62 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 8.33 1.52 -1.45 0.00 1.85 -1.26 -4.89 116.66 120.76 1f6u n ARG 29 Ca 0.14 -0.68 -0.39 0.00 -1.00 0.00 0.00 57.85 55.92 1f6u n ARG 29 Cb 0.49 -1.25 -0.15 0.00 -1.05 0.00 0.00 32.46 30.50 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 0.06 0.30 1.35 2.89 0.00 -1.26 -4.67 120.51 119.17 1f6u n ALA 30 Ca 0.06 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1f6u n ALA 30 Cb 0.22 -2.20 0.66 0.00 0.00 0.00 0.00 19.45 18.13 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 8.16 0.60 0.00 0.00 -0.04 -1.26 -4.87 135.00 137.58 1f6u n PRO 31 Ca 0.64 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 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 -1.10 -2.16 0.00 0.54 1.74 -1.26 -4.99 116.66 109.42 1f6u n ARG 32 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1f6u n ARG 32 Cb 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 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 -0.45 0.00 -1.63 5.56 0.00 -1.26 -4.98 118.16 115.40 1f6u n LYS 33 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 58.31 57.76 1f6u n LYS 33 Cb 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 35.03 34.26 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 -2.00 1.27 -3.91 1.64 5.02 -1.26 -4.84 118.16 114.08 1f6u n LYS 34 Ca 0.00 0.44 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1f6u n LYS 34 Cb 0.00 -2.26 -0.07 0.00 -0.02 0.00 0.00 35.03 32.68 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 4.62 0.32 -0.28 0.72 0.00 -1.25 -1.52 107.32 109.92 1f6u s GLY 35 Ca 1.01 -0.75 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1f6u s GLY 35 CO 0.60 -0.77 1.25 0.00 0.00 0.00 0.00 173.10 174.17 1f6u n TRP 37 N 7.32 1.24 0.00 0.00 4.27 -1.26 -1.32 117.44 127.69 1f6u n TRP 37 Ca 0.14 -1.43 0.00 0.00 -3.89 0.00 0.00 57.50 52.32 1f6u n TRP 37 Cb 0.46 -0.71 0.00 0.00 -1.36 0.00 0.00 31.31 29.70 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 0.22 0.00 -0.09 -2.67 0.00 -1.26 -4.83 118.16 109.52 1f6u n LYS 38 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.45 1f6u n LYS 38 Cb 0.75 -0.66 -0.14 0.00 0.00 0.00 0.00 35.03 34.98 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 1.92 1.39 3.24 0.00 0.00 -0.43 -5.08 105.19 106.23 1f6u n GLY 40 Ca -0.31 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.65 3.16 0.53 1.61 3.01 -1.20 -4.95 119.74 120.25 1f6u s LYS 41 Ca 0.00 -0.78 -0.12 0.00 -1.01 0.00 0.00 55.97 54.06 1f6u s LYS 41 Cb 0.00 -2.56 -0.06 0.00 -1.01 0.00 0.00 37.83 34.21 1f6u s LYS 41 CO 0.00 0.03 0.94 -1.83 0.51 0.00 0.00 175.35 174.99 1f6u s GLU 42 N 0.77 3.74 0.00 1.68 -1.05 -1.26 -0.69 118.70 121.89 1f6u s GLU 42 Ca -0.07 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 1f6u s GLU 42 Cb -0.16 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.34 1f6u s GLU 42 CO 0.00 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.30 1f6u n GLY 43 N -2.03 0.87 3.76 -3.83 0.00 -0.58 -4.88 105.19 98.51 1f6u n GLY 43 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.04 -0.05 0.31 1.61 -3.43 -1.26 -5.03 115.29 105.40 1f6u s HIS 44 Ca 0.00 -0.21 0.04 0.00 -0.80 0.00 0.00 55.06 54.09 1f6u s HIS 44 Cb 0.00 0.62 -0.06 0.00 -1.43 0.00 0.00 32.58 31.71 1f6u s HIS 44 CO 0.00 -0.67 0.05 1.14 -2.00 0.00 0.00 174.74 173.26 1f6u s GLN 45 N -2.72 1.60 0.26 -0.38 -2.07 -1.26 0.19 119.66 115.28 1f6u s GLN 45 Ca 0.16 -1.87 -0.02 0.00 -1.82 0.00 0.00 55.36 51.81 1f6u s GLN 45 Cb 0.00 -0.83 0.49 0.00 -1.09 0.00 0.00 33.01 31.58 1f6u s GLN 45 CO 0.01 -0.17 1.79 1.98 -1.32 0.00 0.00 175.29 177.58 1f6u h MET 46 N 2.18 0.72 -0.29 9.60 1.85 -1.90 0.50 114.93 127.58 1f6u h MET 46 Ca -0.40 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 58.73 1f6u h MET 46 Cb 1.24 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 1f6u h MET 46 CO 0.68 0.47 0.38 -0.22 -0.40 0.00 0.00 176.91 177.83 1f6u h LYS 47 N 0.74 0.00 -0.82 0.39 3.64 -2.01 0.18 116.57 118.68 1f6u h LYS 47 Ca 0.45 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.42 1f6u h LYS 47 Cb 0.53 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.94 1f6u h LYS 47 CO -0.31 0.00 -1.00 -3.47 -2.27 0.00 0.00 179.45 172.40 1f6u n ASP 48 N -3.55 2.86 -4.77 4.20 -0.08 0.15 -5.09 116.55 110.28 1f6u n ASP 48 Ca 0.04 -2.88 -0.32 0.00 -1.51 0.00 0.00 54.79 50.13 1f6u n ASP 48 Cb 0.52 -0.45 0.08 0.00 2.34 0.00 0.00 41.12 43.61 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 -3.15 0.00 -0.06 0.00 -2.24 -1.26 -4.76 114.28 102.81 1f6u n THR 50 Ca 0.10 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 1f6u n THR 50 Cb 0.53 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.61 0.40 -2.71 -0.78 0.00 -1.26 -5.09 120.64 110.60 1f6u n GLU 51 Ca 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 57.16 57.28 1f6u n GLU 51 Cb 0.09 -1.20 0.01 0.00 0.00 0.00 0.00 31.44 30.34 1f6u n GLU 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1f6u n ARG 52 N -4.20 -2.51 -2.60 5.31 1.74 -1.26 -4.92 116.66 108.23 1f6u n ARG 52 Ca -0.11 2.19 -0.43 0.00 -0.77 0.00 0.00 57.85 58.74 1f6u n ARG 52 Cb 0.39 -5.28 -0.02 0.00 -1.02 0.00 0.00 32.46 26.53 1f6u n ARG 52 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1f6u s GLN 53 N -2.20 4.35 -0.11 5.56 0.74 -1.26 -4.94 119.66 121.79 1f6u s GLN 53 Ca 0.16 1.48 -0.05 0.00 0.05 0.00 0.00 55.36 57.01 1f6u s GLN 53 Cb -0.05 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1f6u s GLN 53 CO 0.71 -0.47 -0.10 0.00 -0.55 0.00 0.00 175.29 174.89 1f6u h ALA 54 N 7.39 0.00 0.00 1.58 0.00 -2.04 -3.53 119.26 122.66 1f6u h ALA 54 Ca -0.28 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1f6u h ALA 54 Cb 1.12 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1f6u h ALA 54 CO 0.90 0.28 0.00 -1.71 0.00 0.00 0.00 179.25 178.72