#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 3.63 -4.78 1.61 4.01 -1.26 -5.01 118.16 116.36 1x22 n LYS 2 Ca 0.00 -4.68 -0.30 0.00 -0.51 0.00 0.00 58.31 52.82 1x22 n LYS 2 Cb 0.00 -2.35 -0.17 0.00 -0.51 0.00 0.00 35.03 32.00 1x22 n LYS 2 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1x22 s ILE 3 N -3.23 1.73 -0.97 -0.18 -1.09 -1.26 -5.04 121.20 111.16 1x22 s ILE 3 Ca 0.39 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.88 1x22 s ILE 3 Cb 0.15 -1.54 -0.31 0.00 -1.58 0.00 0.00 42.46 39.18 1x22 s ILE 3 CO -0.02 0.49 2.21 -2.65 -1.23 0.00 0.00 174.94 173.74 1x22 n PRO 4 N 3.88 0.07 -0.00 2.79 -0.02 -1.26 -4.71 135.00 135.74 1x22 n PRO 4 Ca -0.20 -0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.01 1x22 n PRO 4 Cb 0.52 -1.32 -0.08 0.00 -0.02 0.00 0.00 33.50 32.59 1x22 n PRO 4 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1x22 h VAL 5 N 7.13 1.28 0.00 -1.45 3.04 -1.98 -1.91 116.25 122.36 1x22 h VAL 5 Ca 0.03 -2.04 0.00 0.00 -1.01 0.00 0.00 66.70 63.67 1x22 h VAL 5 Cb 1.13 2.11 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1x22 h VAL 5 CO 1.55 0.64 0.00 0.29 -1.01 0.00 0.00 177.57 179.04 1x22 n LYS 6 N -3.93 0.03 -0.03 4.17 4.01 -1.26 -1.83 118.16 119.32 1x22 n LYS 6 Ca -0.09 0.25 -0.22 0.00 -0.51 0.00 0.00 58.31 57.74 1x22 n LYS 6 Cb 0.78 -1.56 -0.13 0.00 -0.51 0.00 0.00 35.03 33.61 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x22 n ALA 7 N -1.54 0.87 0.13 7.82 0.00 -1.07 -2.68 120.51 124.04 1x22 n ALA 7 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.92 1x22 n ALA 7 Cb 0.20 -0.62 0.35 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.24 1.22 0.16 0.00 2.10 -1.12 0.14 117.51 119.77 1x22 h ILE 8 Ca -0.41 -1.04 -0.01 0.00 1.08 0.00 0.00 64.86 64.48 1x22 h ILE 8 Cb 1.83 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 1x22 h ILE 8 CO -0.01 0.31 -0.08 0.50 -1.08 0.00 0.00 178.15 177.80 1x22 h LYS 9 N 0.16 -0.21 -0.29 2.19 3.64 -1.51 -2.88 116.57 117.68 1x22 h LYS 9 Ca 0.03 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1x22 h LYS 9 Cb 0.53 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1x22 h LYS 9 CO 0.04 0.20 0.30 -0.22 -2.27 0.00 0.00 179.45 177.49 1x22 h LYS 10 N -0.91 0.00 0.22 1.90 3.64 -1.42 -0.75 116.57 119.25 1x22 h LYS 10 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1x22 h LYS 10 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1x22 h LYS 10 CO 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 179.45 177.11 1x22 h ALA 11 N 1.68 -0.30 0.00 5.00 0.00 -0.89 -1.57 119.26 123.19 1x22 h ALA 11 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x22 h ALA 11 Cb 0.73 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x22 h ALA 11 CO -0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1x22 n GLY 12 N -0.52 -0.81 0.09 0.00 0.00 -0.34 -1.00 105.19 102.61 1x22 n GLY 12 Ca -0.09 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 2.07 0.42 -0.15 4.61 0.00 -0.78 -2.53 119.26 122.91 1x22 h ALA 13 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 54.91 53.59 1x22 h ALA 13 Cb 0.06 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x22 h ALA 13 CO 0.00 1.29 -0.63 0.00 0.00 0.00 0.00 179.25 179.91 1x22 h ALA 14 N 0.76 0.63 0.07 0.00 0.00 -0.15 0.19 119.26 120.76 1x22 h ALA 14 Ca -0.19 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 53.92 1x22 h ALA 14 Cb 1.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1x22 h ALA 14 CO 0.13 0.71 -1.09 0.82 0.00 0.00 0.00 179.25 179.82 1x22 h ILE 15 N 0.38 1.44 0.01 0.00 2.04 -1.61 -2.52 117.51 117.25 1x22 h ILE 15 Ca -0.01 -2.73 -0.20 0.00 1.00 0.00 0.00 64.86 62.92 1x22 h ILE 15 Cb 1.19 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.94 1x22 h ILE 15 CO 0.12 0.81 -0.89 1.23 0.00 0.00 0.00 178.15 179.41 1x22 h GLY 16 N 1.37 0.23 2.00 5.37 0.00 -1.42 -2.99 103.07 107.63 1x22 h GLY 16 Ca -0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 1x22 h GLY 16 CO 0.18 0.36 -0.66 0.07 0.00 0.00 0.00 176.54 176.50 1x22 h LYS 17 N 0.11 0.00 0.24 4.80 5.09 -0.67 -0.20 116.57 125.94 1x22 h LYS 17 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.68 1x22 h LYS 17 Cb 1.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.86 1x22 h LYS 17 CO 0.14 0.66 -0.11 0.78 -2.09 0.00 0.00 179.45 178.82 1x22 h GLY 18 N 1.99 -0.33 1.64 0.07 0.00 -1.42 0.52 103.07 105.54 1x22 h GLY 18 Ca -0.01 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 1x22 h GLY 18 CO 0.09 -0.12 -0.41 1.41 0.00 0.00 0.00 176.54 177.50 1x22 h LEU 19 N -0.70 0.42 -0.15 3.11 3.38 -1.58 -2.87 115.31 116.92 1x22 h LEU 19 Ca -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1x22 h LEU 19 Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1x22 h LEU 19 CO 0.05 0.79 0.03 -0.09 0.09 0.00 0.00 178.44 179.32 1x22 h ARG 20 N 0.33 0.24 -0.84 1.13 2.43 -1.03 0.38 114.38 117.04 1x22 h ARG 20 Ca 0.03 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1x22 h ARG 20 Cb 0.87 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1x22 h ARG 20 CO 0.07 0.41 0.48 0.00 -1.51 0.00 0.00 179.97 179.42 1x22 h ALA 21 N 0.83 1.20 0.00 2.80 0.00 -0.81 0.20 119.26 123.47 1x22 h ALA 21 Ca 0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1x22 h ALA 21 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1x22 h ALA 21 CO 0.00 0.10 -0.38 0.97 0.00 0.00 0.00 179.25 179.95 1x22 h ILE 22 N 0.80 0.78 0.30 0.00 6.09 -1.34 -2.57 117.51 121.58 1x22 h ILE 22 Ca 0.41 -1.66 -0.01 0.00 -1.37 0.00 0.00 64.86 62.22 1x22 h ILE 22 Cb 0.38 2.06 0.00 0.00 0.47 0.00 0.00 36.82 39.74 1x22 h ILE 22 CO -0.25 0.37 -0.15 -1.13 -3.07 0.00 0.00 178.15 173.92 1x22 h ASN 23 N 0.00 -0.34 -0.85 2.19 -1.24 0.14 -1.25 115.58 114.21 1x22 h ASN 23 Ca -0.00 0.01 0.21 0.00 0.71 0.00 0.00 56.30 57.22 1x22 h ASN 23 Cb 1.03 0.09 -0.05 0.00 0.73 0.00 0.00 38.32 40.12 1x22 h ASN 23 CO 0.05 -0.04 0.58 0.16 -1.29 0.00 0.00 177.43 176.89 1x22 h ILE 24 N -0.81 0.66 -0.04 2.57 3.07 -0.82 0.35 117.51 122.49 1x22 h ILE 24 Ca -0.04 -0.10 -0.02 0.00 1.55 0.00 0.00 64.86 66.25 1x22 h ILE 24 Cb 0.31 0.36 -0.00 0.00 -0.27 0.00 0.00 36.82 37.22 1x22 h ILE 24 CO 0.07 0.05 -0.07 0.00 -1.05 0.00 0.00 178.15 177.15 1x22 h ALA 25 N 1.61 0.06 0.00 0.16 0.00 -1.49 -2.27 119.26 117.34 1x22 h ALA 25 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x22 h ALA 25 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x22 h ALA 25 CO -0.12 -0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.45 1x22 n SER 26 N -4.72 0.00 -0.03 0.00 7.64 -0.38 -1.89 113.62 114.24 1x22 n SER 26 Ca -0.08 0.49 -0.08 0.00 1.01 0.00 0.00 58.87 60.21 1x22 n SER 26 Cb 0.32 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.49 1.53 -0.15 0.44 -1.04 -0.03 -3.60 114.28 109.94 1x22 n THR 27 Ca 0.02 -0.79 -0.09 0.00 -2.04 0.00 0.00 64.05 61.15 1x22 n THR 27 Cb 0.11 -0.93 -0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 1.05 0.58 -0.20 2.41 0.00 -0.80 0.45 119.26 122.74 1x22 h ALA 28 Ca -0.31 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1x22 h ALA 28 Cb 2.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1x22 h ALA 28 CO 0.07 0.24 -0.53 1.12 0.00 0.00 0.00 179.25 180.15 1x22 h HIS 29 N 0.58 0.74 -0.29 0.00 2.07 -1.74 0.47 115.15 116.97 1x22 h HIS 29 Ca 0.14 -0.25 -0.18 0.00 -2.85 0.00 0.00 60.37 57.22 1x22 h HIS 29 Cb 0.28 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 30.12 1x22 h HIS 29 CO 0.01 0.99 -0.54 0.22 -3.07 0.00 0.00 177.93 175.55 1x22 h ASP 30 N 0.46 0.98 -0.00 3.10 3.58 -1.58 -1.50 116.42 121.46 1x22 h ASP 30 Ca 0.01 -0.53 -0.19 0.00 0.42 0.00 0.00 57.03 56.74 1x22 h ASP 30 Cb 1.08 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 41.86 1x22 h ASP 30 CO 0.10 1.33 -0.75 0.58 -2.88 0.00 0.00 179.24 177.62 1x22 h VAL 31 N 0.67 1.38 0.00 2.25 2.07 -0.05 -2.84 116.25 119.72 1x22 h VAL 31 Ca 0.02 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1x22 h VAL 31 Cb 1.15 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1x22 h VAL 31 CO 0.12 0.63 0.00 0.22 0.02 0.00 0.00 177.57 178.57 1x22 h TYR 32 N 0.07 0.00 0.17 1.57 3.20 -0.08 0.38 116.97 122.28 1x22 h TYR 32 Ca -0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1x22 h TYR 32 Cb 1.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.71 1x22 h TYR 32 CO 0.13 0.00 -0.08 1.03 -1.64 0.00 0.00 178.16 177.60 1x22 h SER 33 N 0.00 -0.19 0.43 -2.11 0.87 -1.14 -3.26 113.55 108.15 1x22 h SER 33 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x22 h SER 33 Cb 0.19 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1x22 h SER 33 CO 0.00 0.14 0.00 0.49 -0.53 0.00 0.00 176.83 176.93 1x22 n PHE 34 N -4.17 0.00 0.00 2.24 3.72 -1.08 -4.12 117.46 114.04 1x22 n PHE 34 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1x22 n PHE 34 Cb 0.09 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.39 0.00 0.00 1.38 3.01 0.13 -4.10 117.46 116.49 1x22 n PHE 35 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1x22 n PHE 35 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 -0.16 0.00 -0.43 -1.08 4.01 -1.26 0.27 118.16 119.52 1x22 n LYS 36 Ca 0.00 0.00 0.36 0.00 -0.51 0.00 0.00 58.31 58.16 1x22 n LYS 36 Cb 0.00 0.00 0.68 0.00 -0.51 0.00 0.00 35.03 35.20 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1x22 h PRO 37 N 0.00 0.11 0.00 1.97 0.11 -1.89 -3.23 132.00 129.07 1x22 h PRO 37 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1x22 h PRO 37 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1x22 h PRO 37 CO 0.00 0.07 0.00 1.17 -0.21 0.00 0.00 178.00 179.03 1x22 n LYS 38 N -4.39 0.00 -0.03 1.05 4.81 0.78 -5.07 118.16 115.30 1x22 n LYS 38 Ca 0.32 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1x22 n LYS 38 Cb 1.36 -0.35 -0.00 0.00 0.02 0.00 0.00 35.03 36.06 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 -2.01 -1.33 -2.76 5.64 8.25 -1.22 -4.81 115.22 116.98 1x22 n HIS 39 Ca 0.00 0.04 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 1x22 n HIS 39 Cb 0.00 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.17 1x22 n HIS 39 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x22 s LYS 40 N -0.11 2.21 0.48 -0.41 -2.85 -1.26 -4.97 119.74 112.82 1x22 s LYS 40 Ca 0.00 -1.16 0.21 0.00 -1.00 0.00 0.00 55.97 54.02 1x22 s LYS 40 Cb 0.00 -2.50 1.22 0.00 -2.06 0.00 0.00 37.83 34.49 1x22 s LYS 40 CO 0.00 -0.95 1.95 1.57 0.10 0.00 0.00 175.35 178.01 1x22 h LYS 41 N -0.05 0.22 -0.01 1.78 -0.00 -2.04 -3.54 116.57 112.94 1x22 h LYS 41 Ca -0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.27 1x22 h LYS 41 Cb 1.28 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 1x22 h LYS 41 CO 0.44 0.14 0.00 0.36 -0.00 0.00 0.00 179.45 180.40