#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 s LYS 2 N 0.00 1.40 0.46 1.61 1.02 -1.26 -5.05 119.74 117.92 1x22 s LYS 2 Ca 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1x22 s LYS 2 Cb 0.00 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1x22 s LYS 2 CO 0.00 0.43 0.00 1.51 -0.92 0.00 0.00 175.35 176.37 1x22 n ILE 3 N 1.16 -2.80 -1.42 2.17 3.06 -1.26 -4.30 119.36 115.97 1x22 n ILE 3 Ca -0.18 1.36 -0.14 0.00 -2.50 0.00 0.00 62.75 61.28 1x22 n ILE 3 Cb 0.53 -2.12 -0.13 0.00 0.54 0.00 0.00 39.64 38.46 1x22 n ILE 3 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1x22 n PRO 4 N -2.13 0.15 -0.08 9.51 -0.02 -1.26 -4.70 135.00 136.47 1x22 n PRO 4 Ca 0.00 -0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 60.92 1x22 n PRO 4 Cb 0.29 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 7.14 1.28 0.00 -1.45 2.07 -1.98 -1.13 116.25 122.18 1x22 h VAL 5 Ca 0.02 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1x22 h VAL 5 Cb 1.05 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1x22 h VAL 5 CO 1.26 0.53 0.00 0.11 0.02 0.00 0.00 177.57 179.49 1x22 h LYS 6 N 0.67 0.00 0.15 1.57 1.57 -1.96 -0.15 116.57 118.41 1x22 h LYS 6 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1x22 h LYS 6 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1x22 h LYS 6 CO 0.10 0.00 -1.51 0.00 -0.57 0.00 0.00 179.45 177.47 1x22 h ALA 7 N 2.04 0.14 -0.09 3.86 0.00 -1.75 -3.02 119.26 120.43 1x22 h ALA 7 Ca 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 54.91 53.78 1x22 h ALA 7 Cb 0.21 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x22 h ALA 7 CO 0.00 0.87 -0.21 0.97 0.00 0.00 0.00 179.25 180.88 1x22 h ILE 8 N -0.13 1.20 0.07 0.00 2.10 -0.40 -2.54 117.51 117.81 1x22 h ILE 8 Ca -0.31 -0.92 -0.00 0.00 1.08 0.00 0.00 64.86 64.71 1x22 h ILE 8 Cb 1.90 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.99 1x22 h ILE 8 CO 0.12 0.27 -0.04 0.50 -1.08 0.00 0.00 178.15 177.93 1x22 h LYS 9 N 0.14 -0.10 -1.00 2.19 3.11 -1.16 -2.24 116.57 117.52 1x22 h LYS 9 Ca 0.03 0.01 0.23 0.00 -2.81 0.00 0.00 60.65 58.10 1x22 h LYS 9 Cb 0.46 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 31.61 1x22 h LYS 9 CO 0.03 0.29 0.63 0.87 -2.81 0.00 0.00 179.45 178.46 1x22 h LYS 10 N -0.51 0.53 -0.20 1.90 1.79 -1.37 0.18 116.57 118.90 1x22 h LYS 10 Ca -0.01 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1x22 h LYS 10 Cb 0.43 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x22 h LYS 10 CO 0.02 0.35 0.05 0.00 -1.08 0.00 0.00 179.45 178.79 1x22 h ALA 11 N 1.64 0.26 -0.05 3.86 0.00 -1.27 -1.25 119.26 122.45 1x22 h ALA 11 Ca 0.58 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1x22 h ALA 11 Cb 1.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x22 h ALA 11 CO -0.33 -0.09 0.36 0.78 0.00 0.00 0.00 179.25 179.97 1x22 h GLY 12 N 0.13 0.00 0.00 0.00 0.00 -0.05 0.51 103.07 103.67 1x22 h GLY 12 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1x22 h GLY 12 CO 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.14 1x22 h ALA 13 N 1.33 0.06 -0.46 3.60 0.00 -0.72 -2.74 119.26 120.33 1x22 h ALA 13 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1x22 h ALA 13 Cb 0.74 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1x22 h ALA 13 CO -0.00 0.27 0.25 0.00 0.00 0.00 0.00 179.25 179.77 1x22 h ALA 14 N -0.62 0.59 -0.20 0.00 0.00 -0.16 -1.46 119.26 117.41 1x22 h ALA 14 Ca -0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1x22 h ALA 14 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1x22 h ALA 14 CO -0.05 -0.10 0.07 0.97 0.00 0.00 0.00 179.25 180.14 1x22 h ILE 15 N 0.49 0.95 -0.82 0.00 2.10 -0.20 -0.78 117.51 119.25 1x22 h ILE 15 Ca 0.20 -0.06 0.18 0.00 1.08 0.00 0.00 64.86 66.26 1x22 h ILE 15 Cb 0.08 0.78 -0.06 0.00 -1.09 0.00 0.00 36.82 36.53 1x22 h ILE 15 CO -0.13 0.03 0.55 1.23 -1.08 0.00 0.00 178.15 178.75 1x22 h GLY 16 N 0.16 0.72 1.30 8.18 0.00 -1.08 0.12 103.07 112.47 1x22 h GLY 16 Ca 0.08 -0.17 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 1x22 h GLY 16 CO -0.09 0.03 -0.73 0.07 0.00 0.00 0.00 176.54 175.82 1x22 h LYS 17 N 0.38 0.70 -0.37 4.80 2.10 -0.19 -2.19 116.57 121.79 1x22 h LYS 17 Ca 0.41 -0.55 0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1x22 h LYS 17 Cb 1.04 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.45 1x22 h LYS 17 CO -0.14 1.16 0.19 0.78 -2.00 0.00 0.00 179.45 179.45 1x22 h GLY 18 N 0.78 0.51 1.63 0.07 0.00 0.56 0.19 103.07 106.80 1x22 h GLY 18 Ca -0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1x22 h GLY 18 CO 0.14 0.10 -0.23 1.41 0.00 0.00 0.00 176.54 177.97 1x22 h LEU 19 N 0.38 0.43 -1.40 3.11 3.38 -1.35 -1.72 115.31 118.15 1x22 h LEU 19 Ca 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1x22 h LEU 19 Cb 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x22 h LEU 19 CO -0.11 0.67 -0.16 -0.09 0.09 0.00 0.00 178.44 178.84 1x22 h ARG 20 N 0.39 0.00 -0.06 1.13 2.43 -0.64 -1.66 114.38 115.97 1x22 h ARG 20 Ca 0.06 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1x22 h ARG 20 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1x22 h ARG 20 CO 0.04 0.16 -0.11 0.00 -1.51 0.00 0.00 179.97 178.55 1x22 h ALA 21 N 1.84 0.10 0.00 2.80 0.00 0.27 -1.05 119.26 123.22 1x22 h ALA 21 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1x22 h ALA 21 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x22 h ALA 21 CO 0.02 -0.04 -0.22 0.82 0.00 0.00 0.00 179.25 179.83 1x22 h ILE 22 N -0.30 0.56 -0.00 0.00 1.08 -1.36 -2.71 117.51 114.77 1x22 h ILE 22 Ca 0.00 -1.09 -0.20 0.00 -0.39 0.00 0.00 64.86 63.18 1x22 h ILE 22 Cb 0.68 1.75 0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1x22 h ILE 22 CO 0.02 0.22 -0.78 0.78 -0.69 0.00 0.00 178.15 177.70 1x22 h ASN 23 N 0.00 0.69 -0.09 1.72 2.35 -1.23 -0.06 115.58 118.96 1x22 h ASN 23 Ca -0.00 -0.75 -0.06 0.00 -0.55 0.00 0.00 56.30 54.94 1x22 h ASN 23 Cb 0.73 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1x22 h ASN 23 CO 0.03 1.35 -0.09 0.16 -1.65 0.00 0.00 177.43 177.23 1x22 h ILE 24 N 0.10 1.20 0.23 2.81 3.07 -1.08 0.22 117.51 124.07 1x22 h ILE 24 Ca -0.10 -0.86 -0.33 0.00 1.55 0.00 0.00 64.86 65.13 1x22 h ILE 24 Cb 1.47 1.12 0.03 0.00 -0.27 0.00 0.00 36.82 39.17 1x22 h ILE 24 CO 0.15 0.28 -1.44 0.00 -1.05 0.00 0.00 178.15 176.09 1x22 h ALA 25 N 1.54 -0.10 0.00 0.16 0.00 -1.51 -2.60 119.26 116.75 1x22 h ALA 25 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1x22 h ALA 25 Cb 0.40 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x22 h ALA 25 CO 0.02 0.76 0.00 0.43 0.00 0.00 0.00 179.25 180.47 1x22 n SER 26 N -3.67 0.00 -0.04 0.00 7.64 -0.04 -3.08 113.62 114.43 1x22 n SER 26 Ca -0.15 0.39 -0.22 0.00 1.01 0.00 0.00 58.87 59.90 1x22 n SER 26 Cb 1.09 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 63.70 1x22 n SER 26 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x22 n THR 27 N -1.46 1.69 -0.17 0.44 -2.24 0.76 -4.01 114.28 109.29 1x22 n THR 27 Ca 0.06 -0.44 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 1x22 n THR 27 Cb 0.23 -1.83 -0.04 0.00 -2.10 0.00 0.00 70.33 66.59 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x22 n ALA 28 N -3.18 -0.27 -0.27 6.98 0.00 -0.99 0.18 120.51 122.96 1x22 n ALA 28 Ca -0.33 0.35 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1x22 n ALA 28 Cb 0.92 0.16 0.42 0.00 0.00 0.00 0.00 19.45 20.94 1x22 n ALA 28 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1x22 h HIS 29 N 0.00 0.76 -0.67 0.00 2.07 -1.78 0.90 115.15 116.43 1x22 h HIS 29 Ca 0.07 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.57 1x22 h HIS 29 Cb 0.17 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 29.89 1x22 h HIS 29 CO -0.83 0.24 0.27 0.22 -3.07 0.00 0.00 177.93 174.76 1x22 h ASP 30 N 0.60 0.92 0.49 3.10 3.58 0.17 -1.25 116.42 124.03 1x22 h ASP 30 Ca 0.48 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 1x22 h ASP 30 Cb 0.90 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1x22 h ASP 30 CO -0.22 0.83 -0.23 0.58 -2.88 0.00 0.00 179.24 177.32 1x22 h VAL 31 N 0.94 0.05 0.00 2.25 2.07 0.21 -2.33 116.25 119.44 1x22 h VAL 31 Ca 0.22 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1x22 h VAL 31 Cb 0.20 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1x22 h VAL 31 CO -0.02 0.01 0.36 0.22 0.02 0.00 0.00 177.57 178.16 1x22 h TYR 32 N -1.16 0.00 0.13 1.57 5.03 -1.06 0.44 116.97 121.93 1x22 h TYR 32 Ca -0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1x22 h TYR 32 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1x22 h TYR 32 CO 0.00 0.00 -0.06 1.03 -1.32 0.00 0.00 178.16 177.81 1x22 h SER 33 N 0.00 -0.15 0.46 -2.11 0.87 -1.09 -3.28 113.55 108.25 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 0.71 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1x22 h SER 33 CO 0.00 0.21 0.00 0.49 -0.53 0.00 0.00 176.83 177.00 1x22 n PHE 34 N -4.22 0.58 0.00 2.24 3.01 -0.70 -3.95 117.46 114.42 1x22 n PHE 34 Ca -0.02 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.69 1x22 n PHE 34 Cb 0.07 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.64 1x22 n PHE 34 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1x22 n PHE 35 N -2.05 0.00 0.00 1.38 3.01 0.15 -3.95 117.46 116.00 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 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.95 0.00 0.27 -1.08 5.02 -1.25 0.14 118.16 120.30 1x22 n LYS 36 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1x22 n LYS 36 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 35.50 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x22 h PRO 37 N 0.00 0.00 0.00 1.97 0.13 -1.93 -3.23 132.00 128.93 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 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x22 h PRO 37 CO 0.00 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.40 1x22 n LYS 38 N -2.85 0.00 0.00 0.86 4.01 0.37 -5.07 118.16 115.47 1x22 n LYS 38 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1x22 n LYS 38 Cb 0.71 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.23 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1x22 n HIS 39 N -1.04 -0.95 -2.42 2.13 8.25 -1.22 -5.02 115.22 114.95 1x22 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1x22 n HIS 39 Cb 0.00 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.06 0.00 -3.66 -0.41 0.00 -1.26 -5.06 118.16 107.70 1x22 n LYS 40 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1x22 n LYS 40 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 1x22 n LYS 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1x22 s LYS 41 N 1.28 3.73 0.00 -1.58 -0.14 -1.26 -5.23 119.74 116.54 1x22 s LYS 41 Ca 0.00 -0.45 0.17 0.00 -1.36 0.00 0.00 55.97 54.33 1x22 s LYS 41 Cb 0.00 -3.52 0.13 0.00 -1.68 0.00 0.00 37.83 32.77 1x22 s LYS 41 CO 0.00 -0.23 1.03 0.36 -0.76 0.00 0.00 175.35 175.75