#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 -1.22 0.18 0.03 6.02 -1.26 -3.05 117.38 118.08 1f6u n GLN 2 Ca 0.00 0.99 0.09 0.00 -0.01 0.00 0.00 57.00 58.07 1f6u n GLN 2 Cb 0.00 -1.43 0.61 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.52 0.08 -0.08 -1.09 2.10 -2.09 0.53 116.57 115.49 1f6u h LYS 3 Ca -0.07 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1f6u h LYS 3 Cb 0.51 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1f6u h LYS 3 CO 0.03 0.05 0.07 0.78 -2.00 0.00 0.00 179.45 178.38 1f6u h GLY 4 N 0.08 0.00 1.73 0.07 0.00 -2.05 0.84 103.07 103.74 1f6u h GLY 4 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1f6u h GLY 4 CO -0.01 0.00 0.11 -0.57 0.00 0.00 0.00 176.54 176.07 1f6u h ASN 5 N 0.00 0.00 0.03 0.19 -0.73 -0.80 0.17 115.58 114.44 1f6u h ASN 5 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1f6u h ASN 5 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1f6u h ASN 5 CO -0.00 0.00 0.00 0.15 -0.37 0.00 0.00 177.43 177.21 1f6u h PHE 6 N 0.00 0.00 0.00 0.67 3.57 -0.97 -1.26 116.94 118.95 1f6u h PHE 6 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1f6u h PHE 6 Cb 0.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1f6u h PHE 6 CO 0.00 0.00 0.04 0.00 -2.23 0.00 0.00 178.31 176.12 1f6u h ARG 7 N 0.00 0.00 0.00 1.11 3.08 -0.84 -0.11 114.38 117.63 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 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1f6u h ARG 7 CO 0.00 0.00 0.08 -2.95 -1.07 0.00 0.00 179.97 176.03 1f6u h ASN 8 N 0.00 0.00 -0.36 7.04 -1.07 -1.45 0.10 115.58 119.84 1f6u h ASN 8 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 56.30 56.44 1f6u h ASN 8 Cb 0.08 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.32 1f6u h ASN 8 CO 0.00 0.00 0.25 -0.61 0.07 0.00 0.00 177.43 177.14 1f6u h GLN 9 N 0.00 0.20 -0.73 4.14 4.15 -0.99 -0.69 115.11 121.19 1f6u h GLN 9 Ca 0.00 -0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.62 1f6u h GLN 9 Cb 0.16 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1f6u h GLN 9 CO 0.00 0.13 0.88 0.07 -1.93 0.00 0.00 178.83 177.98 1f6u h ARG 10 N 0.20 0.00 0.00 1.69 -0.00 -1.21 0.92 114.38 115.99 1f6u h ARG 10 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.10 1f6u h ARG 10 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.35 1f6u h ARG 10 CO -0.03 0.00 -1.47 1.17 -0.00 0.00 0.00 179.97 179.64 1f6u n LYS 11 N -3.39 0.92 0.00 0.08 0.00 -0.33 -5.07 118.16 110.37 1f6u n LYS 11 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1f6u n LYS 11 Cb 1.12 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.93 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 -1.96 0.00 -4.64 3.15 -1.04 0.32 -4.99 114.28 105.12 1f6u n THR 12 Ca -0.05 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1f6u n THR 12 Cb 0.39 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.80 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 -1.08 1.59 -0.16 12.58 0.11 -1.26 -3.28 120.40 128.91 1f6u s VAL 13 Ca 0.00 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.06 1f6u s VAL 13 Cb 0.00 -2.70 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1f6u s VAL 13 CO 0.00 0.00 -0.19 -0.75 -3.33 0.00 0.00 175.10 170.83 1f6u s LYS 14 N -3.78 3.07 -0.44 1.54 2.20 -1.26 -0.92 119.74 120.15 1f6u s LYS 14 Ca 0.26 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 54.78 1f6u s LYS 14 Cb 0.07 -2.54 0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1f6u s LYS 14 CO 0.13 -0.06 1.04 0.00 -0.36 0.00 0.00 175.35 176.09 1f6u n PHE 16 N 7.40 0.00 0.00 0.00 7.35 -1.26 -0.23 117.46 130.72 1f6u n PHE 16 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1f6u n PHE 16 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1f6u n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1f6u n ASN 17 N -0.52 0.00 0.28 -2.13 5.15 -1.26 -4.78 115.26 112.00 1f6u n ASN 17 Ca 0.01 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.13 1f6u n ASN 17 Cb 0.00 0.00 0.82 0.00 -0.53 0.00 0.00 39.78 40.07 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 -0.86 2.73 3.02 0.00 0.00 0.68 -5.01 105.19 105.76 1f6u n GLY 19 Ca -0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.04 -4.44 1.61 3.00 -1.26 -3.87 118.16 111.15 1f6u n LYS 20 Ca 0.00 -0.60 -0.23 0.00 -0.00 0.00 0.00 58.31 57.48 1f6u n LYS 20 Cb 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 35.03 33.48 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 -3.35 1.60 0.00 1.64 -1.05 -1.26 -0.19 118.70 116.09 1f6u s GLU 21 Ca 0.36 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 53.43 1f6u s GLU 21 Cb -0.06 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.10 1f6u s GLU 21 CO 0.35 0.24 0.00 0.41 0.95 0.00 0.00 175.26 177.21 1f6u n GLY 22 N -0.58 1.77 3.39 -3.83 0.00 -0.10 -4.85 105.19 101.00 1f6u n GLY 22 Ca -0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.34 1.08 0.19 1.61 -3.43 -1.26 -4.39 115.29 107.75 1f6u s HIS 23 Ca 0.00 -1.27 0.10 0.00 -0.80 0.00 0.00 55.06 53.09 1f6u s HIS 23 Cb 0.00 -0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.83 1f6u s HIS 23 CO 0.00 -0.92 -0.16 0.96 -2.00 0.00 0.00 174.74 172.62 1f6u s ILE 24 N -3.62 2.80 0.38 -5.38 -4.36 -1.26 -2.40 121.20 107.36 1f6u s ILE 24 Ca 0.33 -1.86 0.13 0.00 -0.26 0.00 0.00 60.65 59.00 1f6u s ILE 24 Cb 0.02 -2.38 0.35 0.00 1.25 0.00 0.00 42.46 41.70 1f6u s ILE 24 CO 0.17 -0.13 1.84 0.00 0.24 0.00 0.00 174.94 177.06 1f6u h ALA 25 N 2.98 2.02 -1.42 2.27 0.00 -1.88 0.26 119.26 123.49 1f6u h ALA 25 Ca -0.46 0.03 0.41 0.00 0.00 0.00 0.00 54.91 54.89 1f6u h ALA 25 Cb 1.21 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1f6u h ALA 25 CO 0.52 -0.31 1.22 1.57 0.00 0.00 0.00 179.25 182.25 1f6u h LYS 26 N 0.54 0.00 -0.79 0.00 2.10 -1.97 -0.69 116.57 115.76 1f6u h LYS 26 Ca 0.49 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.80 1f6u h LYS 26 Cb 1.01 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.07 1f6u h LYS 26 CO -0.22 0.00 -0.78 0.27 -2.00 0.00 0.00 179.45 176.71 1f6u n ASN 27 N -3.67 -0.67 -4.78 7.07 2.04 0.85 -5.12 115.26 110.99 1f6u n ASN 27 Ca 0.32 -3.11 -0.37 0.00 -0.44 0.00 0.00 54.58 50.98 1f6u n ASN 27 Cb 1.65 0.58 -0.02 0.00 -2.53 0.00 0.00 39.78 39.46 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 -0.28 3.48 -2.43 0.00 0.63 -1.26 -4.89 116.66 111.91 1f6u n ARG 29 Ca 0.06 -2.08 -0.43 0.00 -0.92 0.00 0.00 57.85 54.48 1f6u n ARG 29 Cb 0.49 -1.96 -0.02 0.00 0.45 0.00 0.00 32.46 31.42 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1f6u s ALA 30 N -2.10 3.33 -0.09 5.13 0.00 -1.26 -4.88 121.76 121.88 1f6u s ALA 30 Ca 0.36 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 1f6u s ALA 30 Cb 0.27 -3.79 -0.19 0.00 0.00 0.00 0.00 23.12 19.40 1f6u s ALA 30 CO 0.12 -1.85 2.83 -0.35 0.00 0.00 0.00 175.76 176.51 1f6u n PRO 31 N 7.40 1.60 -2.10 0.00 -0.04 -1.26 -4.86 135.00 135.73 1f6u n PRO 31 Ca 0.15 -0.83 -0.28 0.00 -0.04 0.00 0.00 63.50 62.50 1f6u n PRO 31 Cb 0.47 -1.93 0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1f6u n PRO 31 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1f6u s ARG 32 N 1.59 1.17 -0.32 0.54 3.52 -1.26 -5.04 118.95 119.15 1f6u s ARG 32 Ca 0.51 -0.50 0.18 0.00 -0.13 0.00 0.00 55.73 55.79 1f6u s ARG 32 Cb 0.23 -2.00 0.46 0.00 -1.56 0.00 0.00 34.95 32.09 1f6u s ARG 32 CO -0.00 -1.99 0.98 1.17 -0.81 0.00 0.00 175.30 174.64 1f6u n LYS 33 N -3.42 1.20 -1.43 5.12 4.81 -1.26 -5.06 118.16 118.11 1f6u n LYS 33 Ca 0.14 -3.24 0.00 0.00 -0.87 0.00 0.00 58.31 54.34 1f6u n LYS 33 Cb 0.60 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.40 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 -0.13 -2.69 -3.55 1.64 5.02 -1.26 -4.63 118.16 112.56 1f6u n LYS 34 Ca 0.08 2.18 -0.14 0.00 -2.02 0.00 0.00 58.31 58.41 1f6u n LYS 34 Cb 0.82 -2.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 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 -0.27 -0.40 -0.51 0.72 0.00 -1.02 -1.54 107.32 104.30 1f6u s GLY 35 Ca 0.00 1.74 -0.27 0.00 0.00 0.00 0.00 44.72 46.18 1f6u s GLY 35 CO 0.00 1.02 1.76 0.00 0.00 0.00 0.00 173.10 175.88 1f6u n TRP 37 N 11.38 0.79 -0.08 0.00 -0.00 -1.26 -0.86 117.44 127.42 1f6u n TRP 37 Ca 0.20 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.50 57.32 1f6u n TRP 37 Cb 0.50 -0.19 -0.11 0.00 -0.00 0.00 0.00 31.31 31.51 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 0.36 1.31 -0.06 -2.67 3.00 -1.26 -4.73 118.16 114.11 1f6u n LYS 38 Ca 0.12 0.02 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 1f6u n LYS 38 Cb 0.55 -1.38 -0.05 0.00 0.00 0.00 0.00 35.03 34.15 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 2.57 1.99 3.03 0.00 0.00 -0.04 -5.12 105.19 107.63 1f6u n GLY 40 Ca -0.24 0.00 -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 -0.24 2.34 0.82 1.61 3.01 -0.99 -4.97 119.74 121.32 1f6u s LYS 41 Ca 0.00 -0.72 -0.12 0.00 -1.01 0.00 0.00 55.97 54.12 1f6u s LYS 41 Cb 0.00 -2.31 0.08 0.00 -1.01 0.00 0.00 37.83 34.59 1f6u s LYS 41 CO 0.00 -0.30 1.11 -1.83 0.51 0.00 0.00 175.35 174.84 1f6u s GLU 42 N 1.41 1.90 0.00 1.68 -1.05 -1.26 0.16 118.70 121.53 1f6u s GLU 42 Ca 0.03 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.33 1f6u s GLU 42 Cb -0.14 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 1f6u s GLU 42 CO -0.10 -1.72 0.00 0.41 0.95 0.00 0.00 175.26 174.80 1f6u n GLY 43 N -2.31 3.34 1.12 -3.83 0.00 -0.59 -4.75 105.19 98.17 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 -1.41 -0.24 -4.29 1.61 1.44 -1.26 -4.88 115.22 106.19 1f6u n HIS 44 Ca 0.00 -0.97 -0.15 0.00 -2.01 0.00 0.00 57.72 54.59 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 -2.48 1.29 0.25 -1.40 -2.07 -1.26 0.22 119.66 114.20 1f6u s GLN 45 Ca 0.13 -1.66 -0.03 0.00 -1.82 0.00 0.00 55.36 51.98 1f6u s GLN 45 Cb 0.01 -0.33 0.47 0.00 -1.09 0.00 0.00 33.01 32.06 1f6u s GLN 45 CO 0.09 -0.20 1.77 1.98 -1.32 0.00 0.00 175.29 177.62 1f6u h MET 46 N 2.51 0.63 -0.31 9.60 1.85 -1.90 0.57 114.93 127.89 1f6u h MET 46 Ca -0.38 -0.04 0.09 0.00 -0.61 0.00 0.00 59.70 58.76 1f6u h MET 46 Cb 1.23 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 1f6u h MET 46 CO 0.62 0.42 0.37 -0.22 -0.40 0.00 0.00 176.91 177.70 1f6u h LYS 47 N 0.65 0.00 -0.27 0.39 1.63 -2.00 0.28 116.57 117.25 1f6u h LYS 47 Ca 0.43 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 60.01 1f6u h LYS 47 Cb 0.55 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 31.93 1f6u h LYS 47 CO -0.33 0.00 -0.77 -0.25 -3.45 0.00 0.00 179.45 174.65 1f6u n ASP 48 N -3.63 2.47 -4.66 4.20 9.92 0.17 -5.08 116.55 119.95 1f6u n ASP 48 Ca 0.05 -3.26 -0.35 0.00 -0.53 0.00 0.00 54.79 50.69 1f6u n ASP 48 Cb 0.52 -0.43 0.09 0.00 -0.64 0.00 0.00 41.12 40.67 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1f6u n THR 50 N -2.57 1.41 -3.05 0.00 -2.24 -1.26 -4.81 114.28 101.76 1f6u n THR 50 Ca 0.14 -1.85 -0.25 0.00 -2.27 0.00 0.00 64.05 59.82 1f6u n THR 50 Cb 0.49 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1f6u n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f6u n GLU 51 N -0.96 2.59 0.01 -0.78 4.71 -1.26 -4.80 120.64 120.15 1f6u n GLU 51 Ca 0.12 -4.47 -0.03 0.00 -0.01 0.00 0.00 57.16 52.78 1f6u n GLU 51 Cb 0.69 -2.09 -0.01 0.00 -1.01 0.00 0.00 31.44 29.02 1f6u n GLU 51 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1f6u n ARG 52 N 0.03 0.10 -3.19 3.49 1.74 -1.26 -5.01 116.66 112.56 1f6u n ARG 52 Ca 0.29 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 57.02 1f6u n ARG 52 Cb 0.46 -0.67 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 1f6u n ARG 52 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1f6u s GLN 53 N -2.14 4.27 -0.35 5.56 -0.21 -1.26 -5.01 119.66 120.52 1f6u s GLN 53 Ca -0.06 0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.90 1f6u s GLN 53 Cb 0.01 -3.52 0.15 0.00 1.00 0.00 0.00 33.01 30.65 1f6u s GLN 53 CO 0.08 -0.08 0.32 0.00 -2.12 0.00 0.00 175.29 173.49 1f6u s ALA 54 N 1.37 -0.07 0.00 6.09 0.00 -1.26 -5.16 121.76 122.73 1f6u s ALA 54 Ca 0.28 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1f6u s ALA 54 Cb -0.16 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1f6u s ALA 54 CO 0.11 -2.05 0.00 -1.71 0.00 0.00 0.00 175.76 172.11