#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6u s GLN 2 N 0.00 1.73 0.21 0.03 -0.21 -1.26 -4.91 119.66 115.25 1f6u s GLN 2 Ca 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 55.36 55.29 1f6u s GLN 2 Cb 0.00 -1.93 0.17 0.00 1.00 0.00 0.00 33.01 32.24 1f6u s GLN 2 CO 0.00 -1.74 1.87 0.87 -2.12 0.00 0.00 175.29 174.17 1f6u h LYS 3 N -1.16 0.96 -0.01 2.91 1.57 -2.08 0.20 116.57 118.95 1f6u h LYS 3 Ca -0.46 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1f6u h LYS 3 Cb 1.31 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1f6u h LYS 3 CO 0.61 0.63 0.06 0.78 -0.57 0.00 0.00 179.45 180.96 1f6u h GLY 4 N 0.98 0.00 1.11 3.86 0.00 -2.03 -0.46 103.07 106.54 1f6u h GLY 4 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.66 1f6u h GLY 4 CO -0.07 0.00 0.47 -0.57 0.00 0.00 0.00 176.54 176.37 1f6u h ASN 5 N 0.00 0.69 0.00 0.19 -0.73 -1.30 0.22 115.58 114.66 1f6u h ASN 5 Ca 0.01 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1f6u h ASN 5 Cb 0.12 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1f6u h ASN 5 CO -0.00 0.46 0.01 0.33 -0.37 0.00 0.00 177.43 177.86 1f6u n PHE 6 N -4.47 0.59 0.19 0.67 7.35 -0.18 -1.45 117.46 120.17 1f6u n PHE 6 Ca 0.10 0.31 0.12 0.00 -0.76 0.00 0.00 57.45 57.22 1f6u n PHE 6 Cb 0.18 -0.99 0.64 0.00 0.35 0.00 0.00 39.48 39.66 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 -0.71 -0.38 114.38 112.24 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1f6u h ARG 7 CO 0.00 0.00 0.15 -0.97 -1.07 0.00 0.00 179.97 178.08 1f6u h ASN 8 N 0.00 0.00 -0.30 7.04 -1.24 -1.45 0.48 115.58 120.11 1f6u h ASN 8 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.10 1f6u h ASN 8 Cb 0.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1f6u h ASN 8 CO 0.00 0.00 0.29 -0.61 -1.29 0.00 0.00 177.43 175.82 1f6u h GLN 9 N 0.00 0.00 -0.29 6.67 4.15 -1.27 0.20 115.11 124.57 1f6u h GLN 9 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1f6u h GLN 9 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1f6u h GLN 9 CO 0.00 0.00 0.25 0.00 -1.93 0.00 0.00 178.83 177.15 1f6u h ARG 10 N 0.00 0.00 -0.43 1.69 3.08 -1.15 -0.82 114.38 116.76 1f6u h ARG 10 Ca 0.14 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.88 1f6u h ARG 10 Cb 0.73 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.45 1f6u h ARG 10 CO -0.00 0.00 -0.86 1.63 -1.07 0.00 0.00 179.97 179.67 1f6u n LYS 11 N -4.07 2.28 -0.39 0.04 5.02 0.68 -5.06 118.16 116.65 1f6u n LYS 11 Ca 0.04 -3.56 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1f6u n LYS 11 Cb 0.41 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1f6u n THR 12 N -0.61 -1.98 -2.49 -0.18 -1.04 -0.31 -5.07 114.28 102.59 1f6u n THR 12 Ca 0.25 0.10 -0.17 0.00 -2.04 0.00 0.00 64.05 62.19 1f6u n THR 12 Cb 0.89 -1.79 0.09 0.00 -1.82 0.00 0.00 70.33 67.70 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 -0.11 0.00 -4.10 12.58 3.14 -1.25 -4.43 118.33 124.15 1f6u n VAL 13 Ca 0.00 -1.12 -0.19 0.00 -2.96 0.00 0.00 64.34 60.07 1f6u n VAL 13 Cb 0.00 -1.04 -0.16 0.00 -1.06 0.00 0.00 33.84 31.58 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 -4.35 0.66 -0.43 1.45 2.20 -1.25 0.12 119.74 118.14 1f6u s LYS 14 Ca 0.48 -0.06 -0.25 0.00 -0.36 0.00 0.00 55.97 55.78 1f6u s LYS 14 Cb -0.03 -0.71 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 1f6u s LYS 14 CO 0.32 -0.09 0.90 0.00 -0.36 0.00 0.00 175.35 176.12 1f6u n PHE 16 N 6.98 0.57 -0.06 0.00 -1.74 -1.26 0.43 117.46 122.37 1f6u n PHE 16 Ca 0.06 -0.23 -0.13 0.00 -0.56 0.00 0.00 57.45 56.59 1f6u n PHE 16 Cb 0.48 -0.12 -0.05 0.00 1.52 0.00 0.00 39.48 41.31 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 0.28 1.22 -0.04 5.98 5.15 -1.26 -4.77 115.26 121.82 1f6u n ASN 17 Ca 0.10 0.13 -0.02 0.00 -0.60 0.00 0.00 54.58 54.19 1f6u n ASN 17 Cb 0.41 -0.36 -0.11 0.00 -0.53 0.00 0.00 39.78 39.20 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 2.01 3.12 3.09 0.00 0.00 0.17 -5.05 105.19 108.53 1f6u n GLY 19 Ca -0.15 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 -4.04 1.61 4.81 -1.26 -3.49 118.16 115.80 1f6u n LYS 20 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1f6u n LYS 20 Cb 0.00 -0.91 -0.04 0.00 0.02 0.00 0.00 35.03 34.10 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1f6u s GLU 21 N -0.91 3.16 0.00 1.64 2.02 -1.26 -0.24 118.70 123.10 1f6u s GLU 21 Ca 0.57 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1f6u s GLU 21 Cb -0.79 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1f6u s GLU 21 CO 0.53 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.66 1f6u n GLY 22 N -0.97 1.31 3.41 -1.39 0.00 0.12 -4.90 105.19 102.76 1f6u n GLY 22 Ca -0.08 -0.17 -0.23 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 -1.25 1.77 0.20 1.61 -3.43 -1.26 -4.26 115.29 108.68 1f6u s HIS 23 Ca 0.00 -1.50 0.10 0.00 -0.80 0.00 0.00 55.06 52.86 1f6u s HIS 23 Cb 0.00 -0.94 -0.04 0.00 -1.43 0.00 0.00 32.58 30.17 1f6u s HIS 23 CO 0.00 -0.60 -0.15 0.96 -2.00 0.00 0.00 174.74 172.94 1f6u s ILE 24 N -3.31 2.81 0.36 -5.38 -4.36 -1.26 -2.59 121.20 107.47 1f6u s ILE 24 Ca 0.31 -1.90 0.12 0.00 -0.26 0.00 0.00 60.65 58.92 1f6u s ILE 24 Cb 0.02 -2.40 0.34 0.00 1.25 0.00 0.00 42.46 41.67 1f6u s ILE 24 CO 0.21 -0.17 1.82 0.00 0.24 0.00 0.00 174.94 177.04 1f6u h ALA 25 N 2.87 1.94 -1.87 2.27 0.00 -1.91 0.22 119.26 122.78 1f6u h ALA 25 Ca -0.46 0.05 0.55 0.00 0.00 0.00 0.00 54.91 55.05 1f6u h ALA 25 Cb 1.22 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1f6u h ALA 25 CO 0.53 -0.27 1.33 1.17 0.00 0.00 0.00 179.25 182.01 1f6u n LYS 26 N -4.63 -0.00 -2.91 0.00 4.81 -1.26 -0.93 118.16 113.24 1f6u n LYS 26 Ca 0.21 1.08 -0.13 0.00 -0.87 0.00 0.00 58.31 58.61 1f6u n LYS 26 Cb 0.64 -2.45 0.03 0.00 0.02 0.00 0.00 35.03 33.27 1f6u n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1f6u n ASN 27 N -3.98 -0.43 -4.78 3.14 2.04 0.71 -5.12 115.26 106.84 1f6u n ASN 27 Ca 0.43 -3.13 -0.35 0.00 -0.44 0.00 0.00 54.58 51.09 1f6u n ASN 27 Cb 1.92 0.41 -0.00 0.00 -2.53 0.00 0.00 39.78 39.59 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 1.37 0.00 -4.95 0.00 2.47 -1.92 -3.42 114.38 107.93 1f6u h ARG 29 Ca -0.50 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 57.72 1f6u h ARG 29 Cb 1.26 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.49 1f6u h ARG 29 CO 0.58 0.00 1.72 0.00 0.56 0.00 0.00 179.97 182.82 1f6u n ALA 30 N -1.83 0.28 -0.74 0.04 0.00 -1.26 -4.67 120.51 112.34 1f6u n ALA 30 Ca -0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 1f6u n ALA 30 Cb 0.15 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.25 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 8.33 1.47 -0.95 0.00 -0.04 -1.26 -4.74 135.00 137.81 1f6u n PRO 31 Ca 0.65 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1f6u n PRO 31 Cb 0.03 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 2.60 -1.92 0.00 0.54 3.00 -1.26 -5.05 116.66 114.57 1f6u n ARG 32 Ca 0.31 1.61 0.00 0.00 -0.01 0.00 0.00 57.85 59.76 1f6u n ARG 32 Cb 0.68 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.67 1f6u n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1f6u n LYS 33 N 0.46 0.00 -1.79 5.56 5.02 -1.26 -5.13 118.16 121.02 1f6u n LYS 33 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f6u n LYS 33 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1f6u n LYS 34 N 0.00 -4.93 -3.83 1.97 5.02 -1.26 -2.99 118.16 112.15 1f6u n LYS 34 Ca 0.00 3.55 -0.28 0.00 -2.02 0.00 0.00 58.31 59.56 1f6u n LYS 34 Cb 0.00 -3.86 -0.16 0.00 -0.02 0.00 0.00 35.03 30.98 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 -1.48 0.86 -0.37 0.72 0.00 -1.11 0.08 107.32 106.02 1f6u s GLY 35 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.66 1f6u s GLY 35 CO 0.00 1.14 1.85 0.00 0.00 0.00 0.00 173.10 176.09 1f6u n TRP 37 N 10.92 1.29 -0.06 0.00 4.27 -1.26 -1.12 117.44 131.48 1f6u n TRP 37 Ca 0.23 -0.50 -0.07 0.00 -3.89 0.00 0.00 57.50 53.27 1f6u n TRP 37 Cb 0.48 -0.37 -0.08 0.00 -1.36 0.00 0.00 31.31 29.98 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 0.30 1.35 -0.06 -2.67 3.00 -1.26 -4.71 118.16 114.12 1f6u n LYS 38 Ca 0.18 0.03 -0.07 0.00 -0.00 0.00 0.00 58.31 58.46 1f6u n LYS 38 Cb 0.85 -1.28 -0.08 0.00 0.00 0.00 0.00 35.03 34.52 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 2.53 1.72 3.32 0.00 0.00 -0.27 -5.10 105.19 107.39 1f6u n GLY 40 Ca -0.20 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.92 2.37 0.48 1.61 -0.14 -1.08 -4.98 119.74 117.09 1f6u s LYS 41 Ca 0.00 -0.88 -0.01 0.00 -1.36 0.00 0.00 55.97 53.72 1f6u s LYS 41 Cb 0.00 -2.15 -0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1f6u s LYS 41 CO 0.00 0.49 0.72 -1.83 -0.76 0.00 0.00 175.35 173.97 1f6u s GLU 42 N -0.43 3.03 0.00 1.68 -1.05 -1.26 -0.58 118.70 120.08 1f6u s GLU 42 Ca 0.04 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1f6u s GLU 42 Cb -0.12 -2.50 0.00 0.00 -0.44 0.00 0.00 34.13 31.07 1f6u s GLU 42 CO 0.01 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.27 1f6u n GLY 43 N -2.18 0.65 3.81 -3.83 0.00 0.11 -4.88 105.19 98.87 1f6u n GLY 43 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 -0.00 0.25 1.61 -3.43 -0.91 -4.94 115.29 105.87 1f6u s HIS 44 Ca 0.00 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.11 1f6u s HIS 44 Cb 0.00 0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 1f6u s HIS 44 CO 0.00 -0.46 0.03 1.14 -2.00 0.00 0.00 174.74 173.44 1f6u s GLN 45 N -2.32 1.41 0.15 -0.38 -2.07 -1.26 0.17 119.66 115.36 1f6u s GLN 45 Ca 0.21 -1.74 -0.18 0.00 -1.82 0.00 0.00 55.36 51.83 1f6u s GLN 45 Cb 0.01 -0.61 0.06 0.00 -1.09 0.00 0.00 33.01 31.38 1f6u s GLN 45 CO -0.00 -0.15 1.68 1.98 -1.32 0.00 0.00 175.29 177.48 1f6u h MET 46 N 2.38 0.01 -0.12 9.60 1.85 -1.89 0.49 114.93 127.25 1f6u h MET 46 Ca -0.39 -0.00 0.03 0.00 -0.61 0.00 0.00 59.70 58.74 1f6u h MET 46 Cb 1.23 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.25 1f6u h MET 46 CO 0.65 0.01 0.34 -0.22 -0.40 0.00 0.00 176.91 177.29 1f6u h LYS 47 N 0.01 0.00 -0.53 0.39 1.63 -2.01 0.42 116.57 116.48 1f6u h LYS 47 Ca 0.16 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.58 1f6u h LYS 47 Cb 0.25 0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 31.52 1f6u h LYS 47 CO -0.34 0.00 -0.84 -0.25 -3.45 0.00 0.00 179.45 174.57 1f6u n ASP 48 N -3.17 3.55 -4.75 4.20 8.00 0.14 -5.07 116.55 119.45 1f6u n ASP 48 Ca 0.01 -3.34 -0.30 0.00 0.71 0.00 0.00 54.79 51.87 1f6u n ASP 48 Cb 0.43 -0.40 0.12 0.00 -0.02 0.00 0.00 41.12 41.25 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 -3.70 0.00 -0.05 0.00 -2.24 -1.26 -4.72 114.28 102.30 1f6u n THR 50 Ca 0.07 -0.45 -0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1f6u n THR 50 Cb 0.55 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.23 0.00 -3.58 -0.78 4.57 -1.97 -3.50 114.58 109.55 1f6u h GLU 51 Ca 0.00 0.00 0.36 0.00 -1.18 0.00 0.00 59.36 58.54 1f6u h GLU 51 Cb 0.10 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 28.50 1f6u h GLU 51 CO 0.00 0.08 -1.28 -2.13 -1.18 0.00 0.00 179.01 174.50 1f6u n ARG 52 N -4.75 -3.40 -3.73 1.92 0.63 -1.26 -5.02 116.66 101.05 1f6u n ARG 52 Ca -0.02 2.77 -0.14 0.00 -0.92 0.00 0.00 57.85 59.55 1f6u n ARG 52 Cb 0.06 -3.98 -0.08 0.00 0.45 0.00 0.00 32.46 28.91 1f6u n ARG 52 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1f6u s GLN 53 N -4.25 0.69 -0.00 -0.14 0.74 -1.26 -5.17 119.66 110.27 1f6u s GLN 53 Ca 0.00 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.30 1f6u s GLN 53 Cb 0.00 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.43 1f6u s GLN 53 CO 0.00 -0.19 0.15 0.00 -0.55 0.00 0.00 175.29 174.71 1f6u s ALA 54 N -1.10 -0.37 0.00 1.58 0.00 -1.26 -5.30 121.76 115.32 1f6u s ALA 54 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1f6u s ALA 54 Cb -0.04 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1f6u s ALA 54 CO 0.05 -0.21 0.00 -1.71 0.00 0.00 0.00 175.76 173.89