#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 -2.70 -3.71 1.61 5.02 -1.26 -4.79 118.16 112.34 1x22 n LYS 2 Ca 0.00 1.98 -0.37 0.00 -2.02 0.00 0.00 58.31 57.90 1x22 n LYS 2 Cb 0.00 -3.23 -0.11 0.00 -0.02 0.00 0.00 35.03 31.67 1x22 n LYS 2 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1x22 s ILE 3 N -2.94 4.98 -0.78 -0.18 -1.09 -1.26 -5.00 121.20 114.94 1x22 s ILE 3 Ca 0.00 0.05 -0.19 0.00 -2.23 0.00 0.00 60.65 58.28 1x22 s ILE 3 Cb 0.00 -3.33 -0.14 0.00 -1.58 0.00 0.00 42.46 37.41 1x22 s ILE 3 CO 0.00 0.33 1.94 -0.81 -1.23 0.00 0.00 174.94 175.17 1x22 n PRO 4 N 4.61 1.57 0.09 2.79 -0.04 -1.26 -4.57 135.00 138.20 1x22 n PRO 4 Ca -0.15 -1.75 -0.05 0.00 -0.04 0.00 0.00 63.50 61.51 1x22 n PRO 4 Cb 0.52 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1x22 h VAL 5 N 4.29 1.60 0.00 0.52 2.07 -1.99 -2.54 116.25 120.19 1x22 h VAL 5 Ca 0.43 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1x22 h VAL 5 Cb 0.57 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1x22 h VAL 5 CO 1.86 0.82 0.00 1.17 0.02 0.00 0.00 177.57 181.44 1x22 n LYS 6 N -3.54 0.09 -0.04 1.57 3.00 -1.26 -1.64 118.16 116.35 1x22 n LYS 6 Ca -0.00 0.17 -0.22 0.00 -0.00 0.00 0.00 58.31 58.26 1x22 n LYS 6 Cb 0.80 -1.63 -0.13 0.00 0.00 0.00 0.00 35.03 34.07 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x22 n ALA 7 N -1.61 0.84 0.15 3.14 0.00 -1.09 -2.57 120.51 119.37 1x22 n ALA 7 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1x22 n ALA 7 Cb 0.31 -0.64 0.27 0.00 0.00 0.00 0.00 19.45 19.39 1x22 n ALA 7 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1x22 h ILE 8 N -0.35 1.33 -0.06 0.00 2.10 -1.43 -2.43 117.51 116.68 1x22 h ILE 8 Ca -0.40 -1.59 -0.15 0.00 1.08 0.00 0.00 64.86 63.80 1x22 h ILE 8 Cb 1.75 1.82 0.01 0.00 -1.09 0.00 0.00 36.82 39.31 1x22 h ILE 8 CO -0.03 0.46 -0.55 0.11 -1.08 0.00 0.00 178.15 177.06 1x22 h LYS 9 N 0.06 0.48 -0.72 2.19 1.57 -1.46 -2.75 116.57 115.93 1x22 h LYS 9 Ca 0.00 -0.44 0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1x22 h LYS 9 Cb 0.83 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1x22 h LYS 9 CO 0.06 1.07 0.48 -0.22 -0.57 0.00 0.00 179.45 180.27 1x22 h LYS 10 N 0.04 0.55 -0.16 3.15 3.11 -1.33 -0.99 116.57 120.94 1x22 h LYS 10 Ca -0.05 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.72 1x22 h LYS 10 Cb 1.22 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1x22 h LYS 10 CO 0.11 0.36 -0.06 0.00 -2.81 0.00 0.00 179.45 177.06 1x22 h ALA 11 N 1.64 0.22 0.00 5.00 0.00 -1.38 -2.20 119.26 122.54 1x22 h ALA 11 Ca 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x22 h ALA 11 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x22 h ALA 11 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1x22 n GLY 12 N -0.07 -0.76 0.10 0.00 0.00 -0.50 -2.21 105.19 101.75 1x22 n GLY 12 Ca -0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 2.25 0.05 -0.79 4.61 0.00 -0.62 -2.72 119.26 122.05 1x22 h ALA 13 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1x22 h ALA 13 Cb 0.13 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1x22 h ALA 13 CO 0.00 0.37 0.51 0.00 0.00 0.00 0.00 179.25 180.13 1x22 h ALA 14 N -0.07 1.42 -0.47 0.00 0.00 -1.14 -1.76 119.26 117.23 1x22 h ALA 14 Ca -0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1x22 h ALA 14 Cb 1.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1x22 h ALA 14 CO 0.01 0.53 -0.10 0.82 0.00 0.00 0.00 179.25 180.52 1x22 h ILE 15 N 1.07 1.27 -0.75 0.00 1.08 -1.61 -2.79 117.51 115.79 1x22 h ILE 15 Ca 0.29 -1.22 0.04 0.00 -0.39 0.00 0.00 64.86 63.57 1x22 h ILE 15 Cb -0.11 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1x22 h ILE 15 CO -0.06 0.42 0.49 1.23 -0.69 0.00 0.00 178.15 179.54 1x22 h GLY 16 N 0.75 1.03 0.87 5.37 0.00 -1.01 -2.24 103.07 107.84 1x22 h GLY 16 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1x22 h GLY 16 CO 0.04 0.30 -0.02 1.70 0.00 0.00 0.00 176.54 178.56 1x22 h LYS 17 N 0.89 -0.06 0.03 4.80 3.11 -1.11 -0.85 116.57 123.38 1x22 h LYS 17 Ca 0.30 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.16 1x22 h LYS 17 Cb 0.09 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.29 1x22 h LYS 17 CO -0.09 0.08 -0.45 0.78 -2.81 0.00 0.00 179.45 176.96 1x22 h GLY 18 N -0.19 -1.18 0.48 5.01 0.00 -1.17 0.46 103.07 106.50 1x22 h GLY 18 Ca -0.01 0.65 0.22 0.00 0.00 0.00 0.00 47.33 48.19 1x22 h GLY 18 CO 0.01 -0.29 0.55 1.41 0.00 0.00 0.00 176.54 178.22 1x22 h LEU 19 N -0.58 0.00 -0.33 3.11 3.38 -1.43 0.43 115.31 119.89 1x22 h LEU 19 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1x22 h LEU 19 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1x22 h LEU 19 CO -0.28 0.00 -0.09 -0.09 0.09 0.00 0.00 178.44 178.06 1x22 h ARG 20 N 0.00 0.65 -1.00 1.13 2.43 0.11 -2.70 114.38 114.99 1x22 h ARG 20 Ca 0.35 -0.25 0.22 0.00 -0.81 0.00 0.00 59.98 59.48 1x22 h ARG 20 Cb 1.45 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.85 1x22 h ARG 20 CO -0.00 0.83 0.61 0.00 -1.51 0.00 0.00 179.97 179.89 1x22 h ALA 21 N 0.80 1.76 -0.61 2.80 0.00 0.41 0.56 119.26 124.98 1x22 h ALA 21 Ca 0.08 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1x22 h ALA 21 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1x22 h ALA 21 CO 0.04 -0.17 0.02 0.82 0.00 0.00 0.00 179.25 179.95 1x22 h ILE 22 N 0.67 1.26 0.70 0.00 5.03 -1.27 -2.04 117.51 121.87 1x22 h ILE 22 Ca 0.60 -1.13 -0.03 0.00 -0.12 0.00 0.00 64.86 64.18 1x22 h ILE 22 Cb 1.06 0.77 0.01 0.00 -3.03 0.00 0.00 36.82 35.63 1x22 h ILE 22 CO -0.41 0.41 -0.34 0.78 -0.68 0.00 0.00 178.15 177.92 1x22 h ASN 23 N 0.98 -0.80 -1.36 1.72 2.35 0.29 -1.36 115.58 117.40 1x22 h ASN 23 Ca 0.18 0.03 0.39 0.00 -0.55 0.00 0.00 56.30 56.35 1x22 h ASN 23 Cb 0.54 0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.06 1x22 h ASN 23 CO 0.03 -0.53 1.00 -0.29 -1.65 0.00 0.00 177.43 175.99 1x22 h ILE 24 N -1.02 0.29 -0.25 2.81 2.10 -0.82 1.06 117.51 121.69 1x22 h ILE 24 Ca -0.10 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.73 1x22 h ILE 24 Cb 0.72 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1x22 h ILE 24 CO 0.16 0.00 -0.29 0.00 -1.08 0.00 0.00 178.15 176.93 1x22 h ALA 25 N 1.28 0.37 0.00 0.18 0.00 -0.77 -2.33 119.26 117.99 1x22 h ALA 25 Ca 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x22 h ALA 25 Cb 2.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.35 1x22 h ALA 25 CO -0.01 0.38 0.00 0.43 0.00 0.00 0.00 179.25 180.06 1x22 n SER 26 N -4.30 0.00 -0.01 0.00 7.64 0.36 -1.91 113.62 115.40 1x22 n SER 26 Ca -0.05 0.45 -0.15 0.00 1.01 0.00 0.00 58.87 60.13 1x22 n SER 26 Cb 0.47 -0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1x22 n SER 26 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x22 n THR 27 N -1.47 1.70 -0.02 0.44 -1.04 -0.72 -3.99 114.28 109.18 1x22 n THR 27 Ca 0.03 -0.72 -0.09 0.00 -2.04 0.00 0.00 64.05 61.22 1x22 n THR 27 Cb 0.12 -1.41 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 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 0.50 -0.70 -0.88 2.41 0.00 -0.95 0.27 119.26 119.91 1x22 h ALA 28 Ca -0.36 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.70 1x22 h ALA 28 Cb 2.03 0.88 -0.07 0.00 0.00 0.00 0.00 17.79 20.63 1x22 h ALA 28 CO 0.08 -0.84 0.58 1.12 0.00 0.00 0.00 179.25 180.19 1x22 h HIS 29 N -0.35 0.63 -0.08 0.00 2.07 -1.77 0.35 115.15 116.00 1x22 h HIS 29 Ca 0.03 0.02 -0.09 0.00 -2.85 0.00 0.00 60.37 57.48 1x22 h HIS 29 Cb 0.42 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.20 1x22 h HIS 29 CO -0.56 0.19 -0.35 -0.44 -3.07 0.00 0.00 177.93 173.70 1x22 h ASP 30 N 0.49 0.17 0.00 3.10 3.32 -1.14 -2.14 116.42 120.22 1x22 h ASP 30 Ca 0.46 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1x22 h ASP 30 Cb 1.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1x22 h ASP 30 CO -0.19 0.51 -0.08 0.58 -1.72 0.00 0.00 179.24 178.35 1x22 h VAL 31 N 0.15 0.00 -0.21 -1.35 2.07 0.30 -3.00 116.25 114.20 1x22 h VAL 31 Ca 0.02 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.91 1x22 h VAL 31 Cb 0.69 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1x22 h VAL 31 CO 0.05 0.00 0.55 0.10 0.02 0.00 0.00 177.57 178.29 1x22 h TYR 32 N -0.69 0.00 0.15 1.57 -0.00 -0.96 0.46 116.97 117.49 1x22 h TYR 32 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1x22 h TYR 32 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 1x22 h TYR 32 CO -0.03 0.00 -0.07 1.03 -0.00 0.00 0.00 178.16 179.08 1x22 h SER 33 N 0.00 -0.17 0.38 0.10 0.87 -1.49 -3.27 113.55 109.97 1x22 h SER 33 Ca 0.10 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1x22 h SER 33 Cb 1.19 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x22 h SER 33 CO -0.00 0.16 0.00 0.33 -0.53 0.00 0.00 176.83 176.79 1x22 n PHE 34 N -4.14 0.46 0.00 2.24 -0.00 -0.61 -3.98 117.46 111.43 1x22 n PHE 34 Ca -0.03 0.20 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1x22 n PHE 34 Cb 0.08 -0.83 0.00 0.00 -0.00 0.00 0.00 39.48 38.73 1x22 n PHE 34 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1x22 n PHE 35 N -1.94 0.00 0.00 -5.13 3.01 0.15 -3.95 117.46 109.59 1x22 n PHE 35 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1x22 n PHE 35 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.46 0.00 -1.42 -1.08 4.01 -1.26 -3.88 118.16 114.08 1x22 n LYS 36 Ca 0.00 0.00 -0.55 0.00 -0.51 0.00 0.00 58.31 57.25 1x22 n LYS 36 Cb 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 1x22 n LYS 36 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1x22 n PRO 37 N 0.00 0.74 0.00 1.97 -0.04 -1.25 0.36 135.00 136.77 1x22 n PRO 37 Ca 0.00 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1x22 n PRO 37 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1x22 n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x22 n LYS 38 N 7.63 0.00 -0.58 0.54 0.00 -1.26 -4.41 118.16 120.08 1x22 n LYS 38 Ca 0.44 0.00 0.44 0.00 0.00 0.00 0.00 58.31 59.19 1x22 n LYS 38 Cb 0.13 0.00 0.68 0.00 0.00 0.00 0.00 35.03 35.84 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1x22 n HIS 39 N 0.00 0.04 -0.92 5.64 8.25 -1.13 -4.59 115.22 122.51 1x22 n HIS 39 Ca 0.00 0.05 -0.36 0.00 -0.26 0.00 0.00 57.72 57.15 1x22 n HIS 39 Cb 0.00 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.60 1x22 n HIS 39 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1x22 n LYS 40 N -3.65 0.00 -0.23 -0.41 5.02 0.16 -4.77 118.16 114.28 1x22 n LYS 40 Ca 0.37 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.69 1x22 n LYS 40 Cb 1.66 -0.83 0.13 0.00 -0.02 0.00 0.00 35.03 35.96 1x22 n LYS 40 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x22 h LYS 41 N 2.35 0.12 0.00 1.97 6.56 -1.88 -3.51 116.57 122.18 1x22 h LYS 41 Ca -0.26 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1x22 h LYS 41 Cb 0.77 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1x22 h LYS 41 CO 0.47 0.08 0.00 1.63 -2.06 0.00 0.00 179.45 179.57