#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 -0.28 0.03 1.13 -1.26 -4.29 117.38 112.71 1f6u n GLN 2 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1f6u n GLN 2 Cb 0.00 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.43 1f6u n GLN 2 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1f6u h LYS 3 N 0.00 0.98 -0.01 -1.09 2.10 -2.08 0.24 116.57 116.71 1f6u h LYS 3 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1f6u h LYS 3 Cb 0.00 -0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 31.11 1f6u h LYS 3 CO 0.00 0.65 0.05 0.78 -2.00 0.00 0.00 179.45 178.93 1f6u h GLY 4 N 1.01 0.00 1.42 0.07 0.00 -2.04 0.01 103.07 103.54 1f6u h GLY 4 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1f6u h GLY 4 CO -0.08 0.00 0.24 -0.57 0.00 0.00 0.00 176.54 176.13 1f6u h ASN 5 N 0.00 0.68 0.00 0.19 -0.73 -1.28 -0.20 115.58 114.24 1f6u h ASN 5 Ca 0.01 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1f6u h ASN 5 Cb 0.10 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.52 1f6u h ASN 5 CO -0.00 0.59 0.02 0.33 -0.37 0.00 0.00 177.43 178.00 1f6u n PHE 6 N -4.36 0.52 0.17 0.67 7.35 -0.01 -1.50 117.46 120.30 1f6u n PHE 6 Ca 0.04 0.27 0.10 0.00 -0.76 0.00 0.00 57.45 57.11 1f6u n PHE 6 Cb 0.14 -0.91 0.56 0.00 0.35 0.00 0.00 39.48 39.61 1f6u n PHE 6 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1f6u h ARG 7 N 0.00 0.00 0.00 -4.13 2.43 -1.17 0.44 114.38 111.95 1f6u h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6u h ARG 7 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1f6u h ARG 7 CO 0.00 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.73 1f6u n ASN 8 N -2.25 0.38 -0.06 -3.80 6.94 -0.56 -1.48 115.26 114.43 1f6u n ASN 8 Ca -0.01 0.68 0.17 0.00 -0.02 0.00 0.00 54.58 55.40 1f6u n ASN 8 Cb 0.13 -0.72 0.60 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.19 0.00 -3.83 4.15 -1.04 0.33 115.11 114.91 1f6u h GLN 9 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1f6u h GLN 9 Cb 0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1f6u h GLN 9 CO 0.00 0.13 0.22 0.00 -1.93 0.00 0.00 178.83 177.24 1f6u h ARG 10 N 0.20 0.00 -0.81 1.69 3.08 -1.52 0.10 114.38 117.12 1f6u h ARG 10 Ca 0.29 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.92 1f6u h ARG 10 Cb 0.88 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.52 1f6u h ARG 10 CO -0.05 0.00 -0.96 1.17 -1.07 0.00 0.00 179.97 179.06 1f6u n LYS 11 N -2.69 2.60 -0.42 0.04 3.00 0.11 -5.09 118.16 115.71 1f6u n LYS 11 Ca -0.02 -3.87 0.01 0.00 -0.00 0.00 0.00 58.31 54.43 1f6u n LYS 11 Cb 0.26 -1.90 -0.01 0.00 0.00 0.00 0.00 35.03 33.39 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 -0.54 -0.67 -4.19 3.15 -1.04 0.35 -5.03 114.28 106.31 1f6u n THR 12 Ca 0.26 0.37 -0.09 0.00 -2.04 0.00 0.00 64.05 62.55 1f6u n THR 12 Cb 0.84 -0.60 -0.02 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.00 0.00 -4.00 12.58 3.14 -1.26 -4.06 118.33 122.73 1f6u n VAL 13 Ca -0.01 -0.75 -0.30 0.00 -2.96 0.00 0.00 64.34 60.33 1f6u n VAL 13 Cb 0.15 0.21 -0.17 0.00 -1.06 0.00 0.00 33.84 32.97 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 -2.53 2.18 -0.46 1.45 2.20 -1.26 -0.11 119.74 121.21 1f6u s LYS 14 Ca 0.03 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1f6u s LYS 14 Cb 0.00 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 1f6u s LYS 14 CO 0.02 -0.24 1.40 0.00 -0.36 0.00 0.00 175.35 176.17 1f6u n PHE 16 N 9.06 0.00 0.00 0.00 7.35 -1.26 -0.16 117.46 132.44 1f6u n PHE 16 Ca 0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 1f6u n PHE 16 Cb 0.48 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.31 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 -0.38 0.00 0.25 -2.13 5.15 -1.26 -4.80 115.26 112.09 1f6u n ASN 17 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1f6u n ASN 17 Cb 0.02 0.00 0.67 0.00 -0.53 0.00 0.00 39.78 39.94 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 -0.50 2.74 3.39 0.00 0.00 0.77 -5.02 105.19 106.56 1f6u n GLY 19 Ca -0.01 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1f6u n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6u n LYS 20 N 0.00 0.34 -3.88 1.61 5.02 -1.26 -3.31 118.16 116.67 1f6u n LYS 20 Ca 0.00 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.12 1f6u n LYS 20 Cb 0.00 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1f6u s GLU 21 N -1.63 3.47 0.00 1.97 1.03 -1.26 0.43 118.70 122.71 1f6u s GLU 21 Ca 0.64 -0.42 0.00 0.00 0.03 0.00 0.00 54.97 55.22 1f6u s GLU 21 Cb -0.49 -2.99 0.00 0.00 -0.80 0.00 0.00 34.13 29.85 1f6u s GLU 21 CO 0.59 0.57 0.00 0.41 -1.33 0.00 0.00 175.26 175.49 1f6u n GLY 22 N 0.07 0.97 3.50 -3.83 0.00 0.84 -4.76 105.19 101.99 1f6u n GLY 22 Ca -0.05 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.61 0.86 0.30 1.61 -3.43 -1.26 -4.24 115.29 108.51 1f6u s HIS 23 Ca 0.00 -1.14 0.09 0.00 -0.80 0.00 0.00 55.06 53.21 1f6u s HIS 23 Cb 0.00 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 1f6u s HIS 23 CO 0.00 -1.08 0.06 0.96 -2.00 0.00 0.00 174.74 172.68 1f6u s ILE 24 N -3.35 3.27 0.30 -5.38 -4.36 -1.26 -1.90 121.20 108.52 1f6u s ILE 24 Ca 0.29 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1f6u s ILE 24 Cb -0.00 -2.91 0.29 0.00 1.25 0.00 0.00 42.46 41.08 1f6u s ILE 24 CO 0.16 -0.29 1.89 0.00 0.24 0.00 0.00 174.94 176.95 1f6u h ALA 25 N 1.74 1.55 -1.65 2.27 0.00 -1.88 0.18 119.26 121.48 1f6u h ALA 25 Ca -0.44 -0.01 0.48 0.00 0.00 0.00 0.00 54.91 54.94 1f6u h ALA 25 Cb 1.25 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1f6u h ALA 25 CO 0.62 0.28 1.35 1.57 0.00 0.00 0.00 179.25 183.07 1f6u h LYS 26 N 0.98 0.00 -0.93 0.00 2.10 -1.99 0.05 116.57 116.78 1f6u h LYS 26 Ca 0.42 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.72 1f6u h LYS 26 Cb 0.31 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.36 1f6u h LYS 26 CO -0.17 0.00 -0.83 0.27 -2.00 0.00 0.00 179.45 176.71 1f6u n ASN 27 N -3.70 -0.52 -4.66 7.07 2.04 -0.01 -5.10 115.26 110.38 1f6u n ASN 27 Ca 0.37 -3.15 -0.43 0.00 -0.44 0.00 0.00 54.58 50.94 1f6u n ASN 27 Cb 1.85 0.48 -0.02 0.00 -2.53 0.00 0.00 39.78 39.55 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 8.76 0.00 -4.68 0.00 3.08 -1.91 -3.43 114.38 116.20 1f6u h ARG 29 Ca -0.30 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.29 1f6u h ARG 29 Cb 1.12 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.09 1f6u h ARG 29 CO 0.97 0.12 1.66 0.00 -1.07 0.00 0.00 179.97 181.66 1f6u n ALA 30 N -2.39 0.32 -0.72 0.04 0.00 -1.26 -4.66 120.51 111.83 1f6u n ALA 30 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1f6u n ALA 30 Cb 0.21 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.41 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 7.80 1.44 -0.34 0.00 -0.04 -1.26 -4.89 135.00 137.71 1f6u n PRO 31 Ca 0.62 -0.69 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 1f6u n PRO 31 Cb 0.03 -1.82 0.29 0.00 -0.04 0.00 0.00 33.50 31.97 1f6u n PRO 31 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1f6u s ARG 32 N 1.42 -2.90 -0.32 0.54 1.70 -1.26 -4.99 118.95 113.14 1f6u s ARG 32 Ca 0.46 0.22 0.17 0.00 -0.47 0.00 0.00 55.73 56.11 1f6u s ARG 32 Cb 0.22 -1.37 0.47 0.00 -0.57 0.00 0.00 34.95 33.69 1f6u s ARG 32 CO 0.00 -4.87 1.01 1.17 -1.08 0.00 0.00 175.30 171.53 1f6u n LYS 33 N -5.64 1.58 -1.54 3.89 4.81 -1.26 -5.06 118.16 114.94 1f6u n LYS 33 Ca 0.12 -3.46 0.00 0.00 -0.87 0.00 0.00 58.31 54.09 1f6u n LYS 33 Cb 0.59 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.19 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 -0.24 -2.75 -3.55 1.64 5.02 -1.26 -4.65 118.16 112.37 1f6u n LYS 34 Ca 0.13 2.22 -0.13 0.00 -2.02 0.00 0.00 58.31 58.50 1f6u n LYS 34 Cb 0.80 -2.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 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 -0.29 -0.40 -0.50 0.72 0.00 -1.06 -1.55 107.32 104.23 1f6u s GLY 35 Ca 0.00 1.68 -0.28 0.00 0.00 0.00 0.00 44.72 46.12 1f6u s GLY 35 CO 0.00 0.94 1.69 0.00 0.00 0.00 0.00 173.10 175.73 1f6u n TRP 37 N 10.88 0.73 -0.09 0.00 -0.00 -1.26 -0.77 117.44 126.93 1f6u n TRP 37 Ca 0.19 -0.28 -0.10 0.00 -0.00 0.00 0.00 57.50 57.30 1f6u n TRP 37 Cb 0.49 -0.16 -0.12 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.37 1.03 -0.07 -2.67 3.00 -1.26 -4.72 118.16 113.85 1f6u n LYS 38 Ca 0.12 0.04 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 1f6u n LYS 38 Cb 0.51 -1.42 -0.05 0.00 0.00 0.00 0.00 35.03 34.06 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 2.56 1.99 3.06 0.00 0.00 0.05 -5.12 105.19 107.73 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 2.52 0.72 1.61 1.02 -0.99 -4.96 119.74 119.42 1f6u s LYS 41 Ca 0.00 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1f6u s LYS 41 Cb 0.00 -2.48 0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1f6u s LYS 41 CO 0.00 -0.31 1.07 -1.83 -0.92 0.00 0.00 175.35 173.36 1f6u s GLU 42 N 1.33 2.69 0.00 1.68 -1.05 -1.26 0.07 118.70 122.16 1f6u s GLU 42 Ca 0.02 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 55.70 1f6u s GLU 42 Cb -0.15 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1f6u s GLU 42 CO -0.10 -1.25 0.00 0.41 0.95 0.00 0.00 175.26 175.27 1f6u n GLY 43 N -2.04 2.52 1.28 -3.83 0.00 -0.60 -4.77 105.19 97.75 1f6u n GLY 43 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.42 -0.10 -4.32 1.61 1.44 -1.26 -4.86 115.22 107.30 1f6u n HIS 44 Ca 0.00 -1.05 -0.17 0.00 -2.01 0.00 0.00 57.72 54.50 1f6u n HIS 44 Cb 0.00 0.05 -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 -2.57 1.39 0.27 -1.40 -2.07 -1.26 0.21 119.66 114.23 1f6u s GLN 45 Ca 0.11 -1.74 -0.00 0.00 -1.82 0.00 0.00 55.36 51.91 1f6u s GLN 45 Cb 0.01 -0.38 0.53 0.00 -1.09 0.00 0.00 33.01 32.08 1f6u s GLN 45 CO 0.08 -0.24 1.79 1.98 -1.32 0.00 0.00 175.29 177.58 1f6u h MET 46 N 2.40 0.73 -0.47 9.60 1.85 -1.90 0.58 114.93 127.71 1f6u h MET 46 Ca -0.38 -0.04 0.14 0.00 -0.61 0.00 0.00 59.70 58.80 1f6u h MET 46 Cb 1.24 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 1f6u h MET 46 CO 0.63 0.48 0.40 -0.22 -0.40 0.00 0.00 176.91 177.80 1f6u h LYS 47 N 0.75 0.00 -0.10 0.39 1.63 -2.00 0.19 116.57 117.44 1f6u h LYS 47 Ca 0.47 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.17 1f6u h LYS 47 Cb 0.59 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.09 1f6u h LYS 47 CO -0.32 0.00 -0.66 -0.25 -3.45 0.00 0.00 179.45 174.77 1f6u n ASP 48 N -4.08 1.93 -4.48 4.20 9.92 0.15 -5.07 116.55 119.11 1f6u n ASP 48 Ca 0.09 -3.48 -0.37 0.00 -0.53 0.00 0.00 54.79 50.50 1f6u n ASP 48 Cb 0.60 -0.46 0.05 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 -2.04 0.01 -0.05 0.00 5.66 -1.26 -4.70 114.28 111.89 1f6u n THR 50 Ca 0.11 -0.23 -0.01 0.00 -3.05 0.00 0.00 64.05 60.86 1f6u n THR 50 Cb 0.49 0.26 -0.01 0.00 -1.55 0.00 0.00 70.33 69.51 1f6u n THR 50 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1f6u h GLU 51 N 0.00 0.00 0.00 1.09 5.08 -1.99 -3.46 114.58 115.30 1f6u h GLU 51 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f6u h GLU 51 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1f6u h GLU 51 CO 0.00 0.05 0.00 -2.13 -1.00 0.00 0.00 179.01 175.93 1f6u n ARG 52 N -4.74 0.00 -1.39 2.33 0.63 -1.26 -4.89 116.66 107.34 1f6u n ARG 52 Ca -0.02 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.08 1f6u n ARG 52 Cb 0.07 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.91 1f6u n ARG 52 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1f6u n GLN 53 N 0.00 -2.92 -3.15 -0.14 6.02 -1.26 -4.98 117.38 110.95 1f6u n GLN 53 Ca 0.00 2.21 0.05 0.00 -0.01 0.00 0.00 57.00 59.24 1f6u n GLN 53 Cb 0.00 -3.52 -0.01 0.00 1.02 0.00 0.00 30.24 27.72 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 -3.38 -3.01 0.00 -1.58 0.00 -1.26 -5.24 121.76 107.29 1f6u s ALA 54 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1f6u s ALA 54 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1f6u s ALA 54 CO 0.00 -1.54 0.00 -1.71 0.00 0.00 0.00 175.76 172.51