#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 h LYS 2 N 0.00 -0.19 -4.33 1.61 1.63 -2.11 -3.42 116.57 109.77 1x22 h LYS 2 Ca 0.00 0.01 -0.73 0.00 -0.85 0.00 0.00 60.65 59.08 1x22 h LYS 2 Cb 0.00 0.04 -0.27 0.00 -0.60 0.00 0.00 32.23 31.40 1x22 h LYS 2 CO 0.00 0.02 -0.39 0.96 -3.45 0.00 0.00 179.45 176.60 1x22 s ILE 3 N -2.41 4.55 -0.93 2.00 -4.36 -1.26 -5.00 121.20 113.78 1x22 s ILE 3 Ca -0.06 -1.46 -0.26 0.00 -0.26 0.00 0.00 60.65 58.60 1x22 s ILE 3 Cb 0.00 -3.85 -0.25 0.00 1.25 0.00 0.00 42.46 39.62 1x22 s ILE 3 CO 0.21 -0.65 2.02 -2.65 0.24 0.00 0.00 174.94 174.10 1x22 n PRO 4 N 5.01 0.08 -0.06 0.37 -0.02 -1.26 -4.66 135.00 134.46 1x22 n PRO 4 Ca -0.10 -1.57 -0.15 0.00 -2.02 0.00 0.00 63.50 59.66 1x22 n PRO 4 Cb 0.42 -3.68 -0.04 0.00 -0.02 0.00 0.00 33.50 30.17 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1x22 h VAL 5 N 6.51 1.28 0.00 -1.45 2.07 -1.98 -2.17 116.25 120.51 1x22 h VAL 5 Ca 0.03 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1x22 h VAL 5 Cb 0.96 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1x22 h VAL 5 CO 1.11 0.58 0.00 0.29 0.02 0.00 0.00 177.57 179.58 1x22 n LYS 6 N -3.98 0.09 -0.02 1.57 5.02 -1.26 -2.47 118.16 117.10 1x22 n LYS 6 Ca -0.05 0.28 -0.19 0.00 -2.02 0.00 0.00 58.31 56.33 1x22 n LYS 6 Cb 0.66 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x22 h ALA 7 N 2.47 0.07 -0.30 7.82 0.00 -1.81 -3.00 119.26 124.51 1x22 h ALA 7 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1x22 h ALA 7 Cb 0.36 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1x22 h ALA 7 CO 0.00 0.46 0.18 0.82 0.00 0.00 0.00 179.25 180.71 1x22 h ILE 8 N -0.63 1.09 0.23 0.00 5.03 -1.23 -1.97 117.51 120.03 1x22 h ILE 8 Ca -0.19 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1x22 h ILE 8 Cb 1.44 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 1x22 h ILE 8 CO 0.02 0.10 -0.11 0.50 -0.68 0.00 0.00 178.15 177.98 1x22 h LYS 9 N 0.42 -0.30 -0.83 2.37 1.63 -1.58 -1.41 116.57 116.86 1x22 h LYS 9 Ca 0.11 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.10 1x22 h LYS 9 Cb -0.00 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.59 1x22 h LYS 9 CO -0.02 -0.02 0.37 0.87 -3.45 0.00 0.00 179.45 177.21 1x22 h LYS 10 N -0.58 0.47 -0.51 1.90 1.57 -1.29 0.14 116.57 118.27 1x22 h LYS 10 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1x22 h LYS 10 Cb 0.42 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1x22 h LYS 10 CO 0.05 0.31 0.26 0.00 -0.57 0.00 0.00 179.45 179.51 1x22 h ALA 11 N 1.61 0.66 0.00 3.86 0.00 -1.22 -0.09 119.26 124.08 1x22 h ALA 11 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1x22 h ALA 11 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x22 h ALA 11 CO -0.43 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1x22 n GLY 12 N -0.97 -0.82 0.08 0.00 0.00 0.38 -2.12 105.19 101.73 1x22 n GLY 12 Ca 0.02 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1x22 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x22 h ALA 13 N 2.11 -0.05 -0.89 4.61 0.00 0.06 -2.68 119.26 122.42 1x22 h ALA 13 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x22 h ALA 13 Cb 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1x22 h ALA 13 CO 0.00 -0.07 0.57 0.00 0.00 0.00 0.00 179.25 179.75 1x22 h ALA 14 N -0.34 1.33 -0.59 0.00 0.00 -1.27 -2.23 119.26 116.16 1x22 h ALA 14 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1x22 h ALA 14 Cb 0.59 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1x22 h ALA 14 CO 0.01 0.60 0.27 0.82 0.00 0.00 0.00 179.25 180.95 1x22 h ILE 15 N 1.21 1.22 -0.65 0.00 2.04 -1.54 0.14 117.51 119.92 1x22 h ILE 15 Ca 0.32 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1x22 h ILE 15 Cb -0.11 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1x22 h ILE 15 CO -0.07 0.25 0.34 1.23 0.00 0.00 0.00 178.15 179.90 1x22 h GLY 16 N 0.81 0.97 2.00 5.37 0.00 -1.05 -1.69 103.07 109.48 1x22 h GLY 16 Ca 0.20 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 1x22 h GLY 16 CO -0.02 0.42 -0.76 1.70 0.00 0.00 0.00 176.54 177.88 1x22 h LYS 17 N 0.91 0.00 0.06 4.80 3.11 -1.05 -2.29 116.57 122.12 1x22 h LYS 17 Ca 0.23 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.07 1x22 h LYS 17 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1x22 h LYS 17 CO -0.03 0.76 -0.03 0.78 -2.81 0.00 0.00 179.45 178.12 1x22 h GLY 18 N 2.94 -0.09 1.52 5.01 0.00 -0.06 0.37 103.07 112.76 1x22 h GLY 18 Ca -0.01 0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 1x22 h GLY 18 CO 0.10 -0.03 -0.56 1.41 0.00 0.00 0.00 176.54 177.46 1x22 h LEU 19 N -0.47 0.56 -1.01 3.11 3.38 -1.43 -2.75 115.31 116.69 1x22 h LEU 19 Ca -0.01 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 1x22 h LEU 19 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x22 h LEU 19 CO 0.01 1.00 -0.48 -0.09 0.09 0.00 0.00 178.44 178.97 1x22 h ARG 20 N 0.38 0.02 -0.20 1.13 2.43 -1.43 -2.55 114.38 114.16 1x22 h ARG 20 Ca 0.00 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1x22 h ARG 20 Cb 1.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1x22 h ARG 20 CO 0.10 0.50 -0.58 0.00 -1.51 0.00 0.00 179.97 178.48 1x22 h ALA 21 N 1.50 0.59 0.00 2.80 0.00 -0.77 -2.85 119.26 120.52 1x22 h ALA 21 Ca -0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1x22 h ALA 21 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1x22 h ALA 21 CO 0.06 0.69 -0.45 0.82 0.00 0.00 0.00 179.25 180.38 1x22 h ILE 22 N 0.50 1.25 0.36 0.00 1.08 -1.31 -1.30 117.51 118.09 1x22 h ILE 22 Ca 0.00 -1.57 -0.02 0.00 -0.39 0.00 0.00 64.86 62.88 1x22 h ILE 22 Cb 1.16 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 1x22 h ILE 22 CO 0.12 0.44 -0.17 0.78 -0.69 0.00 0.00 178.15 178.62 1x22 h ASN 23 N 0.00 -0.41 -0.50 1.72 2.35 -1.33 0.50 115.58 117.91 1x22 h ASN 23 Ca -0.00 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 55.89 1x22 h ASN 23 Cb 0.83 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1x22 h ASN 23 CO 0.06 -0.19 0.35 0.16 -1.65 0.00 0.00 177.43 176.16 1x22 h ILE 24 N -0.69 0.79 -0.08 2.81 3.07 -1.57 0.95 117.51 122.80 1x22 h ILE 24 Ca -0.05 -0.03 -0.23 0.00 1.55 0.00 0.00 64.86 66.10 1x22 h ILE 24 Cb 0.37 0.70 0.01 0.00 -0.27 0.00 0.00 36.82 37.63 1x22 h ILE 24 CO 0.08 0.01 -0.87 0.00 -1.05 0.00 0.00 178.15 176.33 1x22 h ALA 25 N 1.75 0.31 0.00 0.16 0.00 -1.17 -2.36 119.26 117.95 1x22 h ALA 25 Ca 0.24 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1x22 h ALA 25 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x22 h ALA 25 CO -0.02 0.71 0.00 0.77 0.00 0.00 0.00 179.25 180.71 1x22 h SER 26 N 0.43 0.00 0.41 0.00 0.02 0.25 -0.63 113.55 114.04 1x22 h SER 26 Ca -0.07 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.57 1x22 h SER 26 Cb 1.49 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.99 1x22 h SER 26 CO 0.17 0.00 -1.78 0.41 -1.14 0.00 0.00 176.83 174.49 1x22 n THR 27 N -2.70 1.63 0.02 -2.27 -1.04 -0.82 -4.03 114.28 105.07 1x22 n THR 27 Ca -0.01 -0.77 -0.10 0.00 -2.04 0.00 0.00 64.05 61.12 1x22 n THR 27 Cb 0.10 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.44 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x22 h ALA 28 N 0.84 -0.25 -0.92 2.41 0.00 -0.58 -0.60 119.26 120.16 1x22 h ALA 28 Ca -0.32 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.73 1x22 h ALA 28 Cb 2.03 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 20.19 1x22 h ALA 28 CO 0.08 -0.71 0.59 1.12 0.00 0.00 0.00 179.25 180.33 1x22 h HIS 29 N -0.33 0.96 -0.65 0.00 2.07 -1.72 0.14 115.15 115.63 1x22 h HIS 29 Ca 0.09 0.03 0.05 0.00 -2.85 0.00 0.00 60.37 57.68 1x22 h HIS 29 Cb 0.45 -0.31 -0.04 0.00 2.57 0.00 0.00 27.41 30.09 1x22 h HIS 29 CO -0.32 0.40 0.43 0.22 -3.07 0.00 0.00 177.93 175.59 1x22 h ASP 30 N 0.86 0.62 0.08 3.10 3.58 -1.28 -1.65 116.42 121.73 1x22 h ASP 30 Ca 0.45 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.89 1x22 h ASP 30 Cb 0.52 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1x22 h ASP 30 CO -0.21 0.42 -0.04 0.58 -2.88 0.00 0.00 179.24 177.11 1x22 h VAL 31 N 0.71 0.00 -1.93 2.25 2.07 0.06 -2.91 116.25 116.49 1x22 h VAL 31 Ca 0.27 -0.05 0.57 0.00 0.82 0.00 0.00 66.70 68.30 1x22 h VAL 31 Cb 0.16 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.85 1x22 h VAL 31 CO -0.08 0.00 1.38 1.88 0.02 0.00 0.00 177.57 180.78 1x22 h TYR 32 N -0.16 0.03 0.24 1.57 -1.99 -1.40 0.20 116.97 115.46 1x22 h TYR 32 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1x22 h TYR 32 Cb 0.08 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 1x22 h TYR 32 CO 0.12 -0.02 -0.15 1.03 -0.00 0.00 0.00 178.16 179.14 1x22 h SER 33 N 0.00 -0.38 -0.01 3.88 0.87 -1.15 -2.66 113.55 114.10 1x22 h SER 33 Ca 0.93 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.51 1x22 h SER 33 Cb 3.70 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 65.78 1x22 h SER 33 CO -0.04 -0.23 0.00 0.33 -0.53 0.00 0.00 176.83 176.36 1x22 n PHE 34 N -3.17 0.01 0.00 2.24 -0.00 0.42 -4.15 117.46 112.82 1x22 n PHE 34 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 1x22 n PHE 34 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.63 1x22 n PHE 34 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1x22 n PHE 35 N -0.49 0.00 -0.33 -5.13 7.35 0.34 -3.99 117.46 115.21 1x22 n PHE 35 Ca 0.01 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.86 1x22 n PHE 35 Cb 0.01 -0.35 0.30 0.00 0.35 0.00 0.00 39.48 39.79 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1x22 n LYS 36 N -1.55 -0.07 0.21 -4.13 5.02 -1.20 0.27 118.16 116.71 1x22 n LYS 36 Ca 0.00 1.42 0.10 0.00 -2.02 0.00 0.00 58.31 57.80 1x22 n LYS 36 Cb 0.00 -2.27 0.51 0.00 -0.02 0.00 0.00 35.03 33.25 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1x22 h PRO 37 N 0.00 0.00 0.00 1.97 0.11 -1.77 -3.20 132.00 129.12 1x22 h PRO 37 Ca 0.59 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.62 1x22 h PRO 37 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 1x22 h PRO 37 CO -0.88 0.00 -0.14 0.36 -0.21 0.00 0.00 178.00 177.12 1x22 n LYS 38 N -2.31 0.63 -0.25 1.05 2.85 0.75 -4.96 118.16 115.91 1x22 n LYS 38 Ca -0.01 -0.63 -0.07 0.00 -1.05 0.00 0.00 58.31 56.56 1x22 n LYS 38 Cb 0.31 0.27 -0.06 0.00 -0.65 0.00 0.00 35.03 34.89 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1x22 n HIS 39 N -0.71 -0.27 -2.77 5.58 8.25 0.75 -3.30 115.22 122.75 1x22 n HIS 39 Ca -0.10 0.76 -0.03 0.00 -0.26 0.00 0.00 57.72 58.09 1x22 n HIS 39 Cb 0.67 -0.53 0.07 0.00 1.12 0.00 0.00 29.99 31.32 1x22 n HIS 39 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x22 n LYS 40 N -4.57 1.52 -3.64 -0.41 4.81 -1.26 -5.01 118.16 109.59 1x22 n LYS 40 Ca 0.01 -2.94 -0.21 0.00 -0.87 0.00 0.00 58.31 54.30 1x22 n LYS 40 Cb 0.16 -1.07 0.01 0.00 0.02 0.00 0.00 35.03 34.14 1x22 n LYS 40 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x22 n LYS 41 N -0.67 -1.36 0.00 1.64 5.02 -1.21 -5.27 118.16 116.32 1x22 n LYS 41 Ca 0.02 0.84 0.06 0.00 -2.02 0.00 0.00 58.31 57.21 1x22 n LYS 41 Cb 0.82 -3.29 0.05 0.00 -0.02 0.00 0.00 35.03 32.59 1x22 n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51