#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 0.83 0.03 1.61 -2.85 -1.26 -5.09 119.74 113.01 1x22 s LYS 2 Ca 0.00 0.85 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 1x22 s LYS 2 Cb 0.00 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1x22 s LYS 2 CO 0.00 -0.12 0.00 -0.89 0.10 0.00 0.00 175.35 174.44 1x22 n ILE 3 N 2.47 -6.73 -1.47 3.79 5.41 -1.26 -4.73 119.36 116.85 1x22 n ILE 3 Ca -0.15 1.62 -0.57 0.00 1.00 0.00 0.00 62.75 64.66 1x22 n ILE 3 Cb 0.55 -3.61 -0.07 0.00 -0.71 0.00 0.00 39.64 35.81 1x22 n ILE 3 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1x22 n PRO 4 N 1.89 0.00 0.24 0.38 -0.02 -1.26 -4.55 135.00 131.68 1x22 n PRO 4 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1x22 n PRO 4 Cb 0.00 -1.40 0.88 0.00 -0.02 0.00 0.00 33.50 32.96 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 2.63 0.37 0.00 -1.45 2.07 -2.00 1.60 116.25 119.47 1x22 h VAL 5 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1x22 h VAL 5 Cb 1.42 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1x22 h VAL 5 CO 0.63 0.00 -0.34 2.29 0.02 0.00 0.00 177.57 180.17 1x22 n LYS 6 N -3.62 0.18 0.01 1.57 0.00 -1.26 -2.59 118.16 112.45 1x22 n LYS 6 Ca 0.01 0.09 -0.21 0.00 -0.00 0.00 0.00 58.31 58.19 1x22 n LYS 6 Cb 0.29 -1.65 -0.14 0.00 -0.00 0.00 0.00 35.03 33.53 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x22 h ALA 7 N 2.69 0.41 -0.71 0.58 0.00 0.18 -3.00 119.26 119.41 1x22 h ALA 7 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 54.91 53.49 1x22 h ALA 7 Cb 0.65 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1x22 h ALA 7 CO 0.00 1.29 0.23 0.82 0.00 0.00 0.00 179.25 181.59 1x22 h ILE 8 N 0.08 1.25 0.12 0.00 2.04 -0.54 -1.82 117.51 118.63 1x22 h ILE 8 Ca -0.41 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1x22 h ILE 8 Cb 2.04 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1x22 h ILE 8 CO 0.10 0.34 -0.06 0.11 0.00 0.00 0.00 178.15 178.64 1x22 h LYS 9 N 1.05 -0.15 -1.01 2.37 1.79 -1.63 -2.03 116.57 116.95 1x22 h LYS 9 Ca 0.23 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 58.95 1x22 h LYS 9 Cb 0.27 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 30.85 1x22 h LYS 9 CO -0.01 0.11 0.62 -0.22 -1.08 0.00 0.00 179.45 178.87 1x22 h LYS 10 N -0.41 0.55 -0.30 3.15 3.64 -1.35 0.26 116.57 122.11 1x22 h LYS 10 Ca -0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1x22 h LYS 10 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1x22 h LYS 10 CO 0.03 0.36 0.10 0.00 -2.27 0.00 0.00 179.45 177.67 1x22 h ALA 11 N 1.66 0.39 0.00 5.00 0.00 -0.99 -1.01 119.26 124.32 1x22 h ALA 11 Ca 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x22 h ALA 11 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x22 h ALA 11 CO -0.37 0.02 0.17 0.78 0.00 0.00 0.00 179.25 179.84 1x22 h GLY 12 N 0.32 0.00 0.44 0.00 0.00 0.21 0.01 103.07 104.05 1x22 h GLY 12 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1x22 h GLY 12 CO -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.21 1x22 h ALA 13 N 1.63 0.01 -0.46 3.60 0.00 -0.52 -2.76 119.26 120.76 1x22 h ALA 13 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1x22 h ALA 13 Cb 0.34 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1x22 h ALA 13 CO 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 179.25 179.23 1x22 h ALA 14 N 0.19 0.22 -0.91 0.00 0.00 -0.74 0.12 119.26 118.15 1x22 h ALA 14 Ca -0.05 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1x22 h ALA 14 Cb 1.13 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1x22 h ALA 14 CO 0.06 -0.50 0.60 0.82 0.00 0.00 0.00 179.25 180.24 1x22 h ILE 15 N -0.06 1.22 -0.84 0.00 2.04 -1.61 -1.68 117.51 116.58 1x22 h ILE 15 Ca 0.22 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1x22 h ILE 15 Cb 0.39 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 1x22 h ILE 15 CO -0.50 0.22 0.55 1.23 0.00 0.00 0.00 178.15 179.65 1x22 h GLY 16 N 1.22 1.19 0.88 5.37 0.00 -0.53 -1.87 103.07 109.32 1x22 h GLY 16 Ca 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1x22 h GLY 16 CO -0.08 0.29 0.01 0.50 0.00 0.00 0.00 176.54 177.26 1x22 h LYS 17 N 0.95 0.06 -0.15 4.80 6.56 -0.07 -2.10 116.57 126.62 1x22 h LYS 17 Ca 0.36 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.98 1x22 h LYS 17 Cb 0.18 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 1x22 h LYS 17 CO -0.12 0.04 -0.07 0.78 -2.06 0.00 0.00 179.45 178.02 1x22 h GLY 18 N 0.06 0.07 0.25 3.86 0.00 -1.18 -0.27 103.07 105.86 1x22 h GLY 18 Ca 0.05 0.08 0.25 0.00 0.00 0.00 0.00 47.33 47.70 1x22 h GLY 18 CO -0.07 -0.09 0.62 1.41 0.00 0.00 0.00 176.54 178.42 1x22 h LEU 19 N -0.05 0.08 -0.29 3.11 -0.00 -1.06 0.35 115.31 117.45 1x22 h LEU 19 Ca 0.08 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.82 1x22 h LEU 19 Cb 0.17 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1x22 h LEU 19 CO -0.18 0.03 -0.41 -0.09 -0.00 0.00 0.00 178.44 177.79 1x22 h ARG 20 N 0.08 0.79 -0.29 1.13 2.43 -0.38 -1.53 114.38 116.62 1x22 h ARG 20 Ca 0.43 -0.46 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1x22 h ARG 20 Cb 1.58 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 1x22 h ARG 20 CO -0.04 1.09 -0.45 0.00 -1.51 0.00 0.00 179.97 179.06 1x22 h ALA 21 N 0.69 0.66 -0.01 2.80 0.00 0.15 -2.89 119.26 120.65 1x22 h ALA 21 Ca 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1x22 h ALA 21 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1x22 h ALA 21 CO 0.10 0.67 -0.43 0.82 0.00 0.00 0.00 179.25 180.40 1x22 h ILE 22 N 0.60 1.31 0.42 0.00 5.03 -0.77 -1.99 117.51 122.12 1x22 h ILE 22 Ca 0.04 -1.50 -0.02 0.00 -0.12 0.00 0.00 64.86 63.25 1x22 h ILE 22 Cb 1.01 1.79 0.00 0.00 -3.03 0.00 0.00 36.82 36.60 1x22 h ILE 22 CO 0.10 0.43 -0.20 0.78 -0.68 0.00 0.00 178.15 178.58 1x22 h ASN 23 N 0.03 -0.48 -0.88 1.72 4.21 -1.11 0.42 115.58 119.49 1x22 h ASN 23 Ca -0.00 0.02 0.20 0.00 1.21 0.00 0.00 56.30 57.73 1x22 h ASN 23 Cb 0.78 0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 38.04 1x22 h ASN 23 CO 0.06 -0.27 0.59 0.16 -1.29 0.00 0.00 177.43 176.67 1x22 h ILE 24 N -0.71 0.68 -0.07 2.81 -0.00 -1.56 0.42 117.51 119.09 1x22 h ILE 24 Ca -0.06 -0.12 -0.17 0.00 -0.00 0.00 0.00 64.86 64.51 1x22 h ILE 24 Cb 0.44 0.29 -0.01 0.00 -0.00 0.00 0.00 36.82 37.53 1x22 h ILE 24 CO 0.10 0.07 -0.70 0.00 -0.00 0.00 0.00 178.15 177.61 1x22 h ALA 25 N 1.61 0.68 0.00 0.16 0.00 -1.25 -2.55 119.26 117.91 1x22 h ALA 25 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x22 h ALA 25 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x22 h ALA 25 CO -0.15 0.77 0.00 0.43 0.00 0.00 0.00 179.25 180.30 1x22 n SER 26 N -3.83 0.00 -0.08 0.00 7.64 0.15 -3.43 113.62 114.07 1x22 n SER 26 Ca -0.03 0.46 -0.10 0.00 1.01 0.00 0.00 58.87 60.21 1x22 n SER 26 Cb 0.69 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1x22 n SER 26 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1x22 h THR 27 N 0.00 0.38 -0.30 0.44 1.35 -0.84 -3.27 112.91 110.67 1x22 h THR 27 Ca 0.00 -1.43 0.03 0.00 -0.55 0.00 0.00 66.41 64.46 1x22 h THR 27 Cb 0.31 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 1x22 h THR 27 CO 0.00 0.13 -0.18 0.00 -0.25 0.00 0.00 175.52 175.22 1x22 n ALA 28 N -3.40 -0.19 -0.31 6.62 0.00 -1.11 0.54 120.51 122.66 1x22 n ALA 28 Ca -0.14 0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1x22 n ALA 28 Cb 0.37 0.29 0.30 0.00 0.00 0.00 0.00 19.45 20.41 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 0.73 -0.50 0.00 2.07 -1.79 0.31 115.15 115.98 1x22 h HIS 29 Ca 0.05 0.04 0.06 0.00 -2.85 0.00 0.00 60.37 57.66 1x22 h HIS 29 Cb 0.12 -0.18 -0.05 0.00 2.57 0.00 0.00 27.41 29.87 1x22 h HIS 29 CO -0.94 0.03 0.22 0.22 -3.07 0.00 0.00 177.93 174.39 1x22 h ASP 30 N 0.49 0.27 0.64 3.10 1.82 0.04 0.20 116.42 122.97 1x22 h ASP 30 Ca 0.55 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 57.20 1x22 h ASP 30 Cb 0.98 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.00 1x22 h ASP 30 CO -0.48 0.19 -0.31 0.58 -1.61 0.00 0.00 179.24 177.61 1x22 h VAL 31 N 0.42 0.00 -1.04 2.25 2.07 0.30 -2.60 116.25 117.66 1x22 h VAL 31 Ca 0.23 -0.26 0.30 0.00 0.82 0.00 0.00 66.70 67.79 1x22 h VAL 31 Cb 0.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1x22 h VAL 31 CO -0.20 0.00 0.95 0.22 0.02 0.00 0.00 177.57 178.56 1x22 h TYR 32 N -1.12 0.00 0.50 1.57 5.03 -0.46 0.44 116.97 122.92 1x22 h TYR 32 Ca -0.09 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.20 1x22 h TYR 32 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.95 1x22 h TYR 32 CO 0.02 0.00 -0.24 1.03 -1.32 0.00 0.00 178.16 177.65 1x22 h SER 33 N 0.00 -0.56 -0.24 -2.11 0.87 -0.22 -3.01 113.55 108.27 1x22 h SER 33 Ca 0.49 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1x22 h SER 33 Cb 2.38 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.49 1x22 h SER 33 CO -0.01 -0.37 0.00 0.49 -0.53 0.00 0.00 176.83 176.42 1x22 n PHE 34 N -3.99 0.81 -0.05 2.24 3.01 -0.04 -3.75 117.46 115.69 1x22 n PHE 34 Ca -0.08 -0.29 -0.11 0.00 1.01 0.00 0.00 57.45 57.98 1x22 n PHE 34 Cb 0.26 -0.24 -0.15 0.00 -0.01 0.00 0.00 39.48 39.35 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 0.27 0.68 -0.18 1.38 3.01 0.14 -4.01 117.46 118.75 1x22 n PHE 35 Ca 0.11 0.23 -0.01 0.00 1.01 0.00 0.00 57.45 58.79 1x22 n PHE 35 Cb 0.60 -1.12 0.09 0.00 -0.01 0.00 0.00 39.48 39.03 1x22 n PHE 35 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1x22 h LYS 36 N 0.01 0.21 0.00 -1.08 1.57 -1.64 2.55 116.57 118.19 1x22 h LYS 36 Ca -0.39 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1x22 h LYS 36 Cb 2.08 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1x22 h LYS 36 CO 0.06 0.14 0.00 -0.35 -0.57 0.00 0.00 179.45 178.73 1x22 n PRO 37 N -5.15 0.19 0.00 3.15 -0.04 -1.26 -4.43 135.00 127.46 1x22 n PRO 37 Ca 0.07 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1x22 n PRO 37 Cb 0.29 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.39 0.00 0.00 0.54 3.00 0.68 -4.93 118.16 116.05 1x22 n LYS 38 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1x22 n LYS 38 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.26 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 -1.53 -1.03 0.36 5.64 8.25 0.82 -3.59 115.22 124.14 1x22 n HIS 39 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1x22 n HIS 39 Cb 0.00 0.02 0.42 0.00 1.12 0.00 0.00 29.99 31.54 1x22 n HIS 39 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1x22 h LYS 40 N 0.00 0.00 -1.12 -0.41 6.56 -1.96 -3.46 116.57 116.19 1x22 h LYS 40 Ca 0.00 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.77 1x22 h LYS 40 Cb 0.00 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 31.34 1x22 h LYS 40 CO 0.00 0.00 0.83 -1.59 -2.06 0.00 0.00 179.45 176.63 1x22 s LYS 41 N -3.33 0.10 0.00 3.15 -2.85 -1.24 -5.28 119.74 110.29 1x22 s LYS 41 Ca 0.06 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 1x22 s LYS 41 Cb 0.08 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1x22 s LYS 41 CO 0.57 -0.01 0.00 1.63 0.10 0.00 0.00 175.35 177.64