#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 n LYS 2 N 0.00 0.11 -0.31 1.61 4.76 -1.26 -4.88 118.16 118.19 1x22 n LYS 2 Ca 0.00 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.61 1x22 n LYS 2 Cb 0.00 0.00 0.35 0.00 -1.84 0.00 0.00 35.03 33.54 1x22 n LYS 2 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1x22 h ILE 3 N -0.84 0.24 -0.64 -0.18 1.08 -2.08 -3.27 117.51 111.83 1x22 h ILE 3 Ca 0.00 -0.06 -0.44 0.00 -0.39 0.00 0.00 64.86 63.97 1x22 h ILE 3 Cb 0.00 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 33.74 1x22 h ILE 3 CO 0.00 0.03 1.37 -2.84 -0.69 0.00 0.00 178.15 176.03 1x22 s PRO 4 N -5.86 2.97 0.08 2.37 0.02 -1.26 -4.73 135.00 128.59 1x22 s PRO 4 Ca -0.12 -1.31 -0.14 0.00 0.02 0.00 0.00 61.00 59.45 1x22 s PRO 4 Cb 0.28 -5.31 -0.17 0.00 0.02 0.00 0.00 34.50 29.31 1x22 s PRO 4 CO 0.78 -3.36 1.27 0.28 -0.33 0.00 0.00 177.00 175.64 1x22 h VAL 5 N 6.15 1.30 0.00 3.83 2.07 -1.92 -2.30 116.25 125.38 1x22 h VAL 5 Ca 0.27 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1x22 h VAL 5 Cb 0.93 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1x22 h VAL 5 CO 1.30 0.61 0.00 0.29 0.02 0.00 0.00 177.57 179.79 1x22 n LYS 6 N -4.01 0.02 -0.06 1.57 4.76 -1.26 -0.33 118.16 118.85 1x22 n LYS 6 Ca -0.08 0.29 -0.21 0.00 -2.87 0.00 0.00 58.31 55.44 1x22 n LYS 6 Cb 0.72 -1.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x22 h ALA 7 N 2.44 0.23 -0.17 7.82 0.00 -1.86 -2.52 119.26 125.19 1x22 h ALA 7 Ca 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 54.91 53.66 1x22 h ALA 7 Cb 0.24 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1x22 h ALA 7 CO 0.00 0.72 -0.51 0.97 0.00 0.00 0.00 179.25 180.43 1x22 h ILE 8 N -0.68 1.33 -0.34 0.00 2.10 -1.11 -2.81 117.51 116.00 1x22 h ILE 8 Ca -0.30 -1.75 -0.17 0.00 1.08 0.00 0.00 64.86 63.72 1x22 h ILE 8 Cb 1.48 1.75 -0.00 0.00 -1.09 0.00 0.00 36.82 38.96 1x22 h ILE 8 CO -0.07 0.54 -0.45 0.50 -1.08 0.00 0.00 178.15 177.59 1x22 h LYS 9 N 0.38 0.88 -0.90 2.19 1.63 -0.83 -2.61 116.57 117.30 1x22 h LYS 9 Ca 0.01 -0.50 0.09 0.00 -0.85 0.00 0.00 60.65 59.41 1x22 h LYS 9 Cb 1.03 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.62 1x22 h LYS 9 CO 0.09 1.14 0.55 0.87 -3.45 0.00 0.00 179.45 178.65 1x22 h LYS 10 N 0.70 0.90 -0.51 1.90 1.79 -1.31 -0.05 116.57 119.99 1x22 h LYS 10 Ca 0.04 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1x22 h LYS 10 Cb 1.04 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1x22 h LYS 10 CO 0.10 0.60 0.15 0.00 -1.08 0.00 0.00 179.45 179.21 1x22 h ALA 11 N 1.47 0.67 0.00 3.86 0.00 -1.34 -0.82 119.26 123.10 1x22 h ALA 11 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1x22 h ALA 11 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x22 h ALA 11 CO -0.23 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1x22 n GLY 12 N -0.66 -0.82 0.12 0.00 0.00 -0.29 -2.39 105.19 101.16 1x22 n GLY 12 Ca 0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 2.50 0.13 -0.01 4.61 0.00 0.41 -1.60 119.26 125.30 1x22 h ALA 13 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 1x22 h ALA 13 Cb 0.17 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x22 h ALA 13 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1x22 h ALA 14 N -0.02 0.01 -0.56 0.00 0.00 -1.14 0.44 119.26 117.98 1x22 h ALA 14 Ca -0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1x22 h ALA 14 Cb 1.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1x22 h ALA 14 CO 0.08 -0.34 -0.06 0.82 0.00 0.00 0.00 179.25 179.74 1x22 h ILE 15 N -0.27 1.27 -0.24 0.00 2.04 -1.65 -2.59 117.51 116.07 1x22 h ILE 15 Ca 0.00 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 1x22 h ILE 15 Cb 0.29 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1x22 h ILE 15 CO 0.00 0.43 -0.19 1.23 0.00 0.00 0.00 178.15 179.62 1x22 h GLY 16 N 0.96 0.45 0.82 5.37 0.00 -1.18 -2.61 103.07 106.88 1x22 h GLY 16 Ca 0.15 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1x22 h GLY 16 CO 0.04 0.31 0.37 1.70 0.00 0.00 0.00 176.54 178.96 1x22 h LYS 17 N 0.38 0.69 -0.63 4.80 3.11 0.26 0.62 116.57 125.80 1x22 h LYS 17 Ca 0.07 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1x22 h LYS 17 Cb 0.56 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 31.59 1x22 h LYS 17 CO 0.04 0.46 0.41 0.78 -2.81 0.00 0.00 179.45 178.32 1x22 h GLY 18 N 0.71 0.90 1.42 5.01 0.00 -1.24 -1.45 103.07 108.42 1x22 h GLY 18 Ca 0.26 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1x22 h GLY 18 CO -0.12 0.29 0.14 1.41 0.00 0.00 0.00 176.54 178.26 1x22 h LEU 19 N 0.82 0.68 0.05 3.11 3.38 -1.13 -2.75 115.31 119.47 1x22 h LEU 19 Ca 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1x22 h LEU 19 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1x22 h LEU 19 CO -0.07 0.66 -0.06 -0.09 0.09 0.00 0.00 178.44 178.97 1x22 h ARG 20 N 0.72 -0.12 -0.91 1.13 2.43 0.10 -1.37 114.38 116.35 1x22 h ARG 20 Ca 0.16 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.51 1x22 h ARG 20 Cb 0.23 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 1x22 h ARG 20 CO -0.01 -0.08 0.50 0.00 -1.51 0.00 0.00 179.97 178.88 1x22 h ALA 21 N 0.82 1.43 -0.04 2.80 0.00 -1.07 0.32 119.26 123.51 1x22 h ALA 21 Ca 0.01 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1x22 h ALA 21 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x22 h ALA 21 CO -0.02 -0.07 -0.31 0.82 0.00 0.00 0.00 179.25 179.67 1x22 h ILE 22 N 0.68 1.24 0.65 0.00 1.08 -1.20 -2.58 117.51 117.38 1x22 h ILE 22 Ca 0.51 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.82 1x22 h ILE 22 Cb 0.74 1.55 0.01 0.00 -3.07 0.00 0.00 36.82 36.05 1x22 h ILE 22 CO -0.37 0.33 -0.31 -1.13 -0.69 0.00 0.00 178.15 175.97 1x22 h ASN 23 N 0.07 -0.74 -0.85 1.72 -1.24 0.71 0.36 115.58 115.62 1x22 h ASN 23 Ca 0.01 0.03 0.21 0.00 0.71 0.00 0.00 56.30 57.26 1x22 h ASN 23 Cb 0.58 0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.77 1x22 h ASN 23 CO 0.04 -0.48 0.58 -0.29 -1.29 0.00 0.00 177.43 175.99 1x22 h ILE 24 N -0.97 0.65 -0.10 2.57 2.10 -1.45 0.36 117.51 120.67 1x22 h ILE 24 Ca -0.09 -0.08 -0.20 0.00 1.08 0.00 0.00 64.86 65.57 1x22 h ILE 24 Cb 0.67 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1x22 h ILE 24 CO 0.15 0.04 -0.76 0.00 -1.08 0.00 0.00 178.15 176.50 1x22 h ALA 25 N 1.61 0.48 0.00 0.18 0.00 -1.22 -2.64 119.26 117.67 1x22 h ALA 25 Ca 0.42 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x22 h ALA 25 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x22 h ALA 25 CO -0.10 0.73 0.00 -1.13 0.00 0.00 0.00 179.25 178.75 1x22 n SER 26 N -3.87 0.00 -0.09 0.00 3.41 0.12 -2.75 113.62 110.44 1x22 n SER 26 Ca -0.06 0.34 -0.16 0.00 -0.26 0.00 0.00 58.87 58.73 1x22 n SER 26 Cb 0.73 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 1x22 n SER 26 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1x22 h THR 27 N 0.00 0.65 -0.43 6.66 1.35 -0.89 -3.01 112.91 117.24 1x22 h THR 27 Ca 0.00 -1.82 0.12 0.00 -0.55 0.00 0.00 66.41 64.16 1x22 h THR 27 Cb 0.25 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 1x22 h THR 27 CO 0.00 0.22 0.32 0.00 -0.25 0.00 0.00 175.52 175.81 1x22 h ALA 28 N -0.64 2.38 0.01 6.62 0.00 -1.46 0.16 119.26 126.33 1x22 h ALA 28 Ca -0.24 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1x22 h ALA 28 Cb 1.05 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x22 h ALA 28 CO -0.14 -0.54 -0.70 1.25 0.00 0.00 0.00 179.25 179.12 1x22 h HIS 29 N 0.00 0.69 0.00 0.00 -0.00 -1.67 -2.70 115.15 111.47 1x22 h HIS 29 Ca 0.20 -0.38 -0.04 0.00 -0.00 0.00 0.00 60.37 60.15 1x22 h HIS 29 Cb 0.84 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1x22 h HIS 29 CO 0.00 1.21 -0.18 -0.44 -0.00 0.00 0.00 177.93 178.51 1x22 h ASP 30 N -0.03 0.00 0.00 3.26 3.32 -0.91 -2.51 116.42 119.55 1x22 h ASP 30 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1x22 h ASP 30 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1x22 h ASP 30 CO 0.14 0.18 0.00 0.52 -1.72 0.00 0.00 179.24 178.36 1x22 n VAL 31 N -3.79 0.00 -0.52 -1.35 0.31 0.36 -2.56 118.33 110.78 1x22 n VAL 31 Ca -0.02 0.62 0.44 0.00 -0.01 0.00 0.00 64.34 65.37 1x22 n VAL 31 Cb 0.29 -1.40 0.72 0.00 -0.91 0.00 0.00 33.84 32.54 1x22 n VAL 31 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1x22 h TYR 32 N 0.00 0.00 0.33 3.52 -0.00 -1.56 0.57 116.97 119.83 1x22 h TYR 32 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 1x22 h TYR 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1x22 h TYR 32 CO 0.04 0.00 -0.16 1.03 -0.00 0.00 0.00 178.16 179.08 1x22 h SER 33 N 0.00 -0.37 0.35 0.10 0.87 -1.50 -2.98 113.55 110.03 1x22 h SER 33 Ca 0.76 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.34 1x22 h SER 33 Cb 3.30 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 65.36 1x22 h SER 33 CO -0.01 -0.23 0.00 0.49 -0.53 0.00 0.00 176.83 176.55 1x22 n PHE 34 N -3.40 0.00 0.00 2.24 3.72 0.42 -4.00 117.46 116.45 1x22 n PHE 34 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1x22 n PHE 34 Cb 0.17 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1x22 n PHE 34 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1x22 n PHE 35 N -1.33 0.00 0.00 1.38 3.01 0.17 -4.35 117.46 116.34 1x22 n PHE 35 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1x22 n PHE 35 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1x22 n LYS 36 N -0.41 0.00 -0.21 -1.08 4.01 -1.24 0.20 118.16 119.43 1x22 n LYS 36 Ca 0.00 0.00 0.28 0.00 -0.51 0.00 0.00 58.31 58.08 1x22 n LYS 36 Cb 0.00 0.00 0.70 0.00 -0.51 0.00 0.00 35.03 35.22 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1x22 h PRO 37 N 0.00 0.05 0.00 1.97 0.13 -1.91 -3.22 132.00 129.02 1x22 h PRO 37 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x22 h PRO 37 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1x22 h PRO 37 CO 0.00 0.03 0.00 1.17 -0.23 0.00 0.00 178.00 178.97 1x22 n LYS 38 N -4.29 0.00 0.00 0.86 4.81 0.52 -4.69 118.16 115.38 1x22 n LYS 38 Ca 0.20 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1x22 n LYS 38 Cb 0.97 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 35.45 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1x22 n HIS 39 N -1.74 0.00 -2.69 5.64 8.25 -1.22 -2.37 115.22 121.09 1x22 n HIS 39 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1x22 n HIS 39 Cb 0.00 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.19 1x22 n HIS 39 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1x22 n LYS 40 N 0.00 0.73 -1.71 -0.41 2.85 -1.26 -5.08 118.16 113.28 1x22 n LYS 40 Ca 0.00 -1.40 -0.43 0.00 -1.05 0.00 0.00 58.31 55.43 1x22 n LYS 40 Cb 0.00 -0.35 -0.03 0.00 -0.65 0.00 0.00 35.03 34.01 1x22 n LYS 40 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1x22 n LYS 41 N -0.09 2.55 0.00 -1.58 4.76 -1.00 -5.23 118.16 117.57 1x22 n LYS 41 Ca -0.06 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1x22 n LYS 41 Cb 0.75 -2.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.23 1x22 n LYS 41 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20