#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2k s GLU 5 N 0.00 0.72 -0.13 1.97 2.02 -1.26 -5.14 118.70 116.89 2q2k s GLU 5 Ca 0.00 0.53 -0.00 0.00 0.02 0.00 0.00 54.97 55.52 2q2k s GLU 5 Cb 0.00 0.35 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 2q2k s GLU 5 CO 0.00 -0.15 -0.12 0.99 0.02 0.00 0.00 175.26 175.99 2q2k s THR 6 N -0.32 3.11 -0.06 3.63 2.01 -1.26 -5.09 115.64 117.66 2q2k s THR 6 Ca -0.02 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2q2k s THR 6 Cb -0.03 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2q2k s THR 6 CO 0.01 0.53 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.77 2q2k s LYS 7 N 0.29 2.59 -0.24 4.92 -0.14 -1.26 -5.10 119.74 120.80 2q2k s LYS 7 Ca -0.09 -0.71 -0.10 0.00 -1.36 0.00 0.00 55.97 53.70 2q2k s LYS 7 Cb -0.16 -2.38 0.10 0.00 -1.68 0.00 0.00 37.83 33.71 2q2k s LYS 7 CO 0.05 0.56 0.55 -1.58 -0.76 0.00 0.00 175.35 174.17 2q2k s HIS 8 N -0.57 -1.00 -0.18 3.18 2.46 -1.26 -5.14 115.29 112.79 2q2k s HIS 8 Ca 0.08 1.87 -0.07 0.00 0.47 0.00 0.00 55.06 57.41 2q2k s HIS 8 Cb -0.11 0.53 -0.04 0.00 -0.13 0.00 0.00 32.58 32.82 2q2k s HIS 8 CO 0.01 -0.53 0.06 -0.48 -2.47 0.00 0.00 174.74 171.33 2q2k s LEU 9 N 2.30 3.79 0.25 8.88 2.34 -1.26 -5.07 118.68 129.91 2q2k s LEU 9 Ca -0.06 0.08 0.08 0.00 0.06 0.00 0.00 54.13 54.30 2q2k s LEU 9 Cb -0.10 -1.95 -0.04 0.00 -0.56 0.00 0.00 46.19 43.54 2q2k s LEU 9 CO -0.16 0.19 0.07 -1.48 -1.06 0.00 0.00 176.35 173.90 2q2k s LEU 10 N 0.29 3.43 -0.05 1.48 2.34 -1.26 -5.11 118.68 119.80 2q2k s LEU 10 Ca 0.03 -0.47 0.00 0.00 0.06 0.00 0.00 54.13 53.75 2q2k s LEU 10 Cb -0.12 -1.97 0.02 0.00 -0.56 0.00 0.00 46.19 43.56 2q2k s LEU 10 CO 0.00 -0.00 -0.04 -0.54 -1.06 0.00 0.00 176.35 174.72 2q2k s LYS 11 N -3.64 0.81 -0.13 1.48 1.02 -1.26 -5.12 119.74 112.90 2q2k s LYS 11 Ca 0.31 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2q2k s LYS 11 Cb -0.07 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2q2k s LYS 11 CO 0.22 -0.14 -0.16 0.42 -0.92 0.00 0.00 175.35 174.77 2q2k s ILE 12 N 1.20 2.74 -0.20 2.17 1.09 -1.26 -5.09 121.20 121.85 2q2k s ILE 12 Ca -0.07 -0.76 -0.17 0.00 -1.10 0.00 0.00 60.65 58.55 2q2k s ILE 12 Cb -0.14 -2.14 -0.04 0.00 -1.06 0.00 0.00 42.46 39.09 2q2k s ILE 12 CO -0.02 0.53 0.46 -0.54 -0.10 0.00 0.00 174.94 175.28 2q2k s LYS 13 N 0.50 4.19 0.17 2.79 1.02 -1.26 -4.85 119.74 122.30 2q2k s LYS 13 Ca -0.11 0.32 -0.09 0.00 0.02 0.00 0.00 55.97 56.12 2q2k s LYS 13 Cb -0.16 -3.54 0.23 0.00 -0.52 0.00 0.00 37.83 33.83 2q2k s LYS 13 CO 0.05 -0.08 1.03 1.17 -0.92 0.00 0.00 175.35 176.59 2q2k n LYS 14 N 4.59 -0.11 -0.02 1.68 3.00 -1.26 -1.83 118.16 124.20 2q2k n LYS 14 Ca -0.06 1.03 -0.13 0.00 -0.00 0.00 0.00 58.31 59.15 2q2k n LYS 14 Cb 0.51 -1.53 -0.09 0.00 0.00 0.00 0.00 35.03 33.92 2q2k n LYS 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2q2k h GLU 15 N 0.00 0.11 -0.46 1.64 4.81 -1.95 -2.48 114.58 116.25 2q2k h GLU 15 Ca 0.27 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 2q2k h GLU 15 Cb 0.44 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2q2k h GLU 15 CO -0.67 0.51 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.50 2q2k h ASP 16 N -0.29 0.95 -2.36 1.04 3.32 -1.78 -3.37 116.42 113.92 2q2k h ASP 16 Ca 0.01 -0.39 -0.59 0.00 0.02 0.00 0.00 57.03 56.09 2q2k h ASP 16 Cb 0.48 -0.26 -0.39 0.00 0.22 0.00 0.00 39.33 39.38 2q2k h ASP 16 CO 0.01 1.13 -0.96 -1.22 -1.72 0.00 0.00 179.24 176.48 2q2k n TYR 17 N -4.18 -0.46 0.09 4.55 4.02 -0.85 -5.02 117.16 115.30 2q2k n TYR 17 Ca -0.00 -3.43 -0.11 0.00 -0.01 0.00 0.00 57.90 54.35 2q2k n TYR 17 Cb 0.43 0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.78 2q2k n TYR 17 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2q2k h PRO 18 N 5.36 -0.49 -0.83 -0.72 0.13 -1.62 -2.51 132.00 131.31 2q2k h PRO 18 Ca 0.23 0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.57 2q2k h PRO 18 Cb 0.89 0.11 -0.16 0.00 0.13 0.00 0.00 31.00 31.97 2q2k h PRO 18 CO 0.42 -0.33 -0.19 1.96 -0.23 0.00 0.00 178.00 179.63 2q2k h GLN 19 N -0.51 0.01 0.83 0.86 1.08 -1.95 0.15 115.11 115.57 2q2k h GLN 19 Ca -0.01 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2q2k h GLN 19 Cb 0.50 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2q2k h GLN 19 CO -0.17 0.00 -0.40 0.82 -0.95 0.00 0.00 178.83 178.13 2q2k h ILE 20 N 0.01 0.13 0.00 2.54 2.04 -1.95 -1.11 117.51 119.16 2q2k h ILE 20 Ca 0.41 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2q2k h ILE 20 Cb 0.64 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2q2k h ILE 20 CO -0.85 0.00 0.00 0.33 0.00 0.00 0.00 178.15 177.64 2q2k n PHE 21 N -5.55 0.00 -0.43 1.37 7.35 -0.46 -0.22 117.46 119.52 2q2k n PHE 21 Ca -0.15 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 56.90 2q2k n PHE 21 Cb 0.45 -0.42 0.63 0.00 0.35 0.00 0.00 39.48 40.49 2q2k n PHE 21 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2q2k h ASP 22 N 0.00 0.27 0.00 -2.13 1.82 -0.76 -1.08 116.42 114.54 2q2k h ASP 22 Ca 0.00 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 2q2k h ASP 22 Cb 0.00 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2q2k h ASP 22 CO 0.00 -0.20 0.00 0.33 -1.61 0.00 0.00 179.24 177.76 2q2k n PHE 23 N -4.76 0.00 -0.37 0.28 7.35 0.69 -2.83 117.46 117.83 2q2k n PHE 23 Ca 0.37 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 57.36 2q2k n PHE 23 Cb 1.39 -0.33 0.60 0.00 0.35 0.00 0.00 39.48 41.49 2q2k n PHE 23 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2q2k h LEU 24 N 0.00 0.29 -0.10 -2.13 -0.00 -0.83 0.89 115.31 113.43 2q2k h LEU 24 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2q2k h LEU 24 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2q2k h LEU 24 CO 0.00 -0.01 0.00 1.21 -0.00 0.00 0.00 178.44 179.64 2q2k n GLU 25 N -4.55 0.05 -2.77 1.13 4.07 -0.47 -3.84 120.64 114.26 2q2k n GLU 25 Ca 0.30 0.21 -0.03 0.00 -0.06 0.00 0.00 57.16 57.58 2q2k n GLU 25 Cb 1.15 -1.57 0.04 0.00 -0.06 0.00 0.00 31.44 30.99 2q2k n GLU 25 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2q2k n ASN 26 N -1.66 1.65 -4.83 4.31 3.02 0.31 -5.06 115.26 112.99 2q2k n ASN 26 Ca 0.04 -2.27 -0.29 0.00 -0.03 0.00 0.00 54.58 52.04 2q2k n ASN 26 Cb 0.24 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 2q2k n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2q2k s VAL 27 N -3.66 4.79 0.68 2.41 1.01 -1.17 -5.00 120.40 119.46 2q2k s VAL 27 Ca 0.28 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 2q2k s VAL 27 Cb 0.36 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2q2k s VAL 27 CO -0.02 0.03 0.91 -2.65 0.00 0.00 0.00 175.10 173.37 2q2k n PRO 28 N 0.03 0.61 -1.69 2.72 -0.02 -1.26 -4.84 135.00 130.56 2q2k n PRO 28 Ca -0.08 0.26 -0.52 0.00 -2.02 0.00 0.00 63.50 61.14 2q2k n PRO 28 Cb 0.53 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 2q2k n PRO 28 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q2k n ARG 29 N -1.44 1.77 -1.11 -0.52 5.12 -1.26 -2.19 116.66 117.02 2q2k n ARG 29 Ca 0.13 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 2q2k n ARG 29 Cb 0.49 -2.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.36 2q2k n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2q2k n GLY 30 N 4.21 0.51 0.00 -0.13 0.00 -1.26 -4.93 105.19 103.59 2q2k n GLY 30 Ca 0.24 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.39 2q2k n GLY 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q2k n THR 31 N -3.07 0.00 0.18 2.61 -1.04 -0.93 -4.69 114.28 107.33 2q2k n THR 31 Ca 0.00 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.05 61.50 2q2k n THR 31 Cb 0.13 0.90 -0.08 0.00 -1.82 0.00 0.00 70.33 69.46 2q2k n THR 31 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2q2k h LYS 32 N 0.00 -0.73 -0.43 -2.82 1.57 -1.92 0.72 116.57 112.96 2q2k h LYS 32 Ca 0.00 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2q2k h LYS 32 Cb 0.11 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2q2k h LYS 32 CO 0.00 -0.49 0.21 1.15 -0.57 0.00 0.00 179.45 179.76 2q2k h THR 33 N -0.76 0.97 0.11 -0.16 2.02 -1.98 -1.82 112.91 111.28 2q2k h THR 33 Ca -0.01 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.05 2q2k h THR 33 Cb 0.73 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2q2k h THR 33 CO -0.17 0.08 -0.32 0.00 0.37 0.00 0.00 175.52 175.47 2q2k h ALA 34 N 1.23 -0.55 0.12 6.16 0.00 -1.71 0.11 119.26 124.62 2q2k h ALA 34 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2q2k h ALA 34 Cb 0.10 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2q2k h ALA 34 CO -0.13 -0.87 -0.42 0.45 0.00 0.00 0.00 179.25 178.28 2q2k h HIS 35 N -0.54 -1.17 -0.58 0.00 -0.00 0.73 0.24 115.15 113.83 2q2k h HIS 35 Ca 0.03 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 2q2k h HIS 35 Cb 0.58 0.50 -0.06 0.00 -0.00 0.00 0.00 27.41 28.43 2q2k h HIS 35 CO -0.30 -0.51 0.27 0.82 -0.00 0.00 0.00 177.93 178.21 2q2k h ILE 36 N -0.65 0.89 -0.93 2.45 2.04 -1.23 0.40 117.51 120.48 2q2k h ILE 36 Ca 0.02 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.80 2q2k h ILE 36 Cb 0.68 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 2q2k h ILE 36 CO -0.24 0.09 0.57 -0.09 0.00 0.00 0.00 178.15 178.48 2q2k h ARG 37 N 0.51 0.93 0.07 2.37 2.43 -0.17 0.67 114.38 121.19 2q2k h ARG 37 Ca 0.27 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2q2k h ARG 37 Cb 0.24 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2q2k h ARG 37 CO -0.22 0.61 -0.04 1.49 -1.51 0.00 0.00 179.97 180.31 2q2k h GLU 38 N 0.96 -0.10 -0.68 0.20 4.57 0.29 -2.13 114.58 117.69 2q2k h GLU 38 Ca 0.44 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.77 2q2k h GLU 38 Cb 0.36 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.87 2q2k h GLU 38 CO -0.24 0.20 0.11 0.00 -1.18 0.00 0.00 179.01 177.91 2q2k h ALA 39 N 0.50 0.81 0.03 2.92 0.00 0.59 -1.94 119.26 122.17 2q2k h ALA 39 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2q2k h ALA 39 Cb 0.34 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2q2k h ALA 39 CO 0.02 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.83 2q2k h LEU 40 N 0.21 -0.03 -0.85 0.00 3.38 -0.90 0.67 115.31 117.79 2q2k h LEU 40 Ca 0.37 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2q2k h LEU 40 Cb 0.62 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.24 2q2k h LEU 40 CO -0.51 0.36 -0.41 -0.09 0.09 0.00 0.00 178.44 177.88 2q2k h ARG 41 N -0.43 -0.07 -0.14 1.13 2.43 -0.81 0.58 114.38 117.08 2q2k h ARG 41 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2q2k h ARG 41 Cb 0.40 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2q2k h ARG 41 CO 0.01 -0.04 0.02 0.00 -1.51 0.00 0.00 179.97 178.44 2q2k h ARG 42 N -0.07 0.23 0.03 0.20 3.08 -1.34 -3.15 114.38 113.36 2q2k h ARG 42 Ca 0.28 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.27 2q2k h ARG 42 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2q2k h ARG 42 CO -0.88 0.43 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.30 2q2k h TYR 43 N 0.00 -0.69 0.00 3.04 5.03 0.12 -2.36 116.97 122.12 2q2k h TYR 43 Ca 0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2q2k h TYR 43 Cb 0.31 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.89 2q2k h TYR 43 CO 0.02 -0.26 0.00 -0.89 -1.32 0.00 0.00 178.16 175.71 2q2k n ILE 44 N -3.79 0.00 0.09 1.81 5.41 0.18 -0.01 119.36 123.05 2q2k n ILE 44 Ca -0.04 0.53 0.20 0.00 1.00 0.00 0.00 62.75 64.45 2q2k n ILE 44 Cb 0.18 -0.81 0.75 0.00 -0.71 0.00 0.00 39.64 39.05 2q2k n ILE 44 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2q2k h GLU 45 N 0.00 0.00 -0.49 0.38 4.11 -1.61 0.58 114.58 117.55 2q2k h GLU 45 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.53 2q2k h GLU 45 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2q2k h GLU 45 CO 0.00 0.00 0.33 0.93 0.07 0.00 0.00 179.01 180.34 2q2k h GLU 46 N 0.00 0.24 0.00 1.06 5.08 0.13 -3.33 114.58 117.76 2q2k h GLU 46 Ca 0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2q2k h GLU 46 Cb 1.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2q2k h GLU 46 CO -0.00 0.16 0.00 -0.89 -1.00 0.00 0.00 179.01 177.28 2q2k n ILE 47 N -4.46 0.00 1.81 3.13 2.08 0.20 -5.10 119.36 117.03 2q2k n ILE 47 Ca 0.08 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.54 2q2k n ILE 47 Cb 0.38 -0.01 0.79 0.00 -0.75 0.00 0.00 39.64 40.05 2q2k n ILE 47 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72