#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aml s ALA 2 N 0.00 2.98 -0.63 2.24 0.00 -1.26 -5.01 121.76 120.08 1aml s ALA 2 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 1aml s ALA 2 Cb 0.00 -3.17 0.16 0.00 0.00 0.00 0.00 23.12 20.11 1aml s ALA 2 CO 0.00 -0.17 0.49 -1.21 0.00 0.00 0.00 175.76 174.88 1aml s GLU 3 N -3.53 2.81 0.20 0.00 2.02 -1.26 -5.04 118.70 113.91 1aml s GLU 3 Ca 0.63 -2.25 0.01 0.00 0.02 0.00 0.00 54.97 53.37 1aml s GLU 3 Cb -0.12 -3.98 -0.00 0.00 0.10 0.00 0.00 34.13 30.13 1aml s GLU 3 CO 0.22 -1.21 0.03 1.97 0.02 0.00 0.00 175.26 176.28 1aml n PHE 4 N 4.10 0.33 -1.85 1.61 1.16 -1.26 -5.05 117.46 116.49 1aml n PHE 4 Ca 0.04 -1.12 0.00 0.00 -1.87 0.00 0.00 57.45 54.50 1aml n PHE 4 Cb 0.41 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 1aml n PHE 4 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1aml n ARG 5 N -0.49 -5.09 -1.07 3.97 3.00 -1.26 -4.92 116.66 110.80 1aml n ARG 5 Ca -0.07 3.65 -0.29 0.00 -0.01 0.00 0.00 57.85 61.14 1aml n ARG 5 Cb 0.28 -3.97 0.16 0.00 0.00 0.00 0.00 32.46 28.93 1aml n ARG 5 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1aml s HIS 6 N -1.35 2.09 -0.07 -1.55 3.76 -1.26 -5.06 115.29 111.84 1aml s HIS 6 Ca 0.00 1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 56.08 1aml s HIS 6 Cb 0.00 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.53 1aml s HIS 6 CO 0.00 -2.73 0.19 0.34 -0.85 0.00 0.00 174.74 171.68 1aml s ASP 7 N -3.25 -0.19 -1.22 1.40 2.15 -1.26 -5.07 116.67 109.23 1aml s ASP 7 Ca 0.65 0.38 -0.20 0.00 0.43 0.00 0.00 52.55 53.81 1aml s ASP 7 Cb -0.19 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 1aml s ASP 7 CO 0.58 -0.09 1.80 -0.55 -0.17 0.00 0.00 175.17 176.74 1aml s SER 8 N 0.38 6.07 0.00 -0.34 0.15 -1.26 -4.45 113.70 114.25 1aml s SER 8 Ca -0.02 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 54.62 1aml s SER 8 Cb -0.04 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1aml s SER 8 CO -0.02 -1.98 0.00 0.61 1.20 0.00 0.00 173.24 173.06 1aml n GLY 9 N 5.72 -1.15 0.14 9.45 0.00 -1.26 -5.11 105.19 112.98 1aml n GLY 9 Ca 0.46 0.69 0.00 0.00 0.00 0.00 0.00 46.02 47.17 1aml n GLY 9 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aml n TYR 10 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.98 117.16 116.53 1aml n TYR 10 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1aml n TYR 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1aml n TYR 10 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1aml n GLU 11 N -1.95 0.00 -0.04 -0.72 1.02 -1.26 -3.22 120.64 114.47 1aml n GLU 11 Ca 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.37 1aml n GLU 11 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 31.95 1aml n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1aml h VAL 12 N 0.00 0.12 -1.75 2.62 2.07 -1.98 0.25 116.25 117.59 1aml h VAL 12 Ca 0.00 0.00 -0.74 0.00 0.82 0.00 0.00 66.70 66.78 1aml h VAL 12 Cb 0.00 0.26 -0.28 0.00 -1.52 0.00 0.00 31.29 29.75 1aml h VAL 12 CO 0.00 0.00 0.99 1.57 0.02 0.00 0.00 177.57 180.15 1aml n HIS 13 N -3.32 3.05 0.00 1.57 -0.00 -1.20 -4.36 115.22 110.96 1aml n HIS 13 Ca 0.15 -2.50 0.00 0.00 0.46 0.00 0.00 57.72 55.83 1aml n HIS 13 Cb 1.12 -1.23 0.00 0.00 -0.12 0.00 0.00 29.99 29.76 1aml n HIS 13 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1aml n HIS 14 N -0.63 0.00 0.14 1.57 -0.00 0.75 -4.95 115.22 112.10 1aml n HIS 14 Ca 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 58.18 1aml n HIS 14 Cb 0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.28 1aml n HIS 14 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1aml h GLN 15 N 0.00 -0.41 -0.84 1.57 1.08 -1.40 -1.50 115.11 113.62 1aml h GLN 15 Ca 0.00 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1aml h GLN 15 Cb 0.00 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 1aml h GLN 15 CO 0.00 -0.14 0.55 0.87 -0.95 0.00 0.00 178.83 179.16 1aml h LYS 16 N -1.02 0.97 0.48 1.46 1.79 -1.76 -0.12 116.57 118.37 1aml h LYS 16 Ca -0.04 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1aml h LYS 16 Cb 0.46 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1aml h LYS 16 CO 0.07 0.64 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.78 1aml h LEU 17 N 1.00 -0.55 0.00 2.94 3.38 -1.76 -2.20 115.31 118.12 1aml h LEU 17 Ca 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1aml h LEU 17 Cb 0.10 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1aml h LEU 17 CO -0.11 -0.27 0.00 0.52 0.09 0.00 0.00 178.44 178.67 1aml n VAL 18 N -5.30 0.00 -0.12 1.22 0.31 -0.57 -1.30 118.33 112.58 1aml n VAL 18 Ca -0.11 1.15 0.10 0.00 -0.01 0.00 0.00 64.34 65.47 1aml n VAL 18 Cb 0.30 -1.92 0.18 0.00 -0.91 0.00 0.00 33.84 31.49 1aml n VAL 18 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1aml n PHE 19 N -1.27 0.37 0.38 3.52 7.35 -0.10 0.30 117.46 128.02 1aml n PHE 19 Ca 0.00 0.43 -0.15 0.00 -0.76 0.00 0.00 57.45 56.97 1aml n PHE 19 Cb 0.00 -0.86 -0.07 0.00 0.35 0.00 0.00 39.48 38.90 1aml n PHE 19 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1aml h PHE 20 N 0.00 -0.92 -0.78 -5.13 3.57 -0.56 -1.05 116.94 112.07 1aml h PHE 20 Ca 0.28 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.94 1aml h PHE 20 Cb 0.72 0.30 -0.14 0.00 2.79 0.00 0.00 35.95 39.62 1aml h PHE 20 CO -0.05 -0.57 -0.07 0.00 -2.23 0.00 0.00 178.31 175.38 1aml h ALA 21 N -1.38 0.71 -0.97 2.41 0.00 0.58 1.01 119.26 121.62 1aml h ALA 21 Ca -0.10 0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1aml h ALA 21 Cb 0.76 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1aml h ALA 21 CO 0.17 -0.43 0.63 0.93 0.00 0.00 0.00 179.25 180.55 1aml h GLU 22 N 0.05 1.16 -0.63 0.00 5.08 -0.88 -1.16 114.58 118.20 1aml h GLU 22 Ca 0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1aml h GLU 22 Cb 0.71 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1aml h GLU 22 CO -0.74 0.77 0.00 -0.25 -1.00 0.00 0.00 179.01 177.79 1aml n ASP 23 N -4.45 4.95 -0.06 1.42 9.92 0.14 -4.44 116.55 124.02 1aml n ASP 23 Ca 0.13 -2.55 -0.07 0.00 -0.53 0.00 0.00 54.79 51.78 1aml n ASP 23 Cb 0.12 -0.60 -0.02 0.00 -0.64 0.00 0.00 41.12 39.98 1aml n ASP 23 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1aml n VAL 24 N 1.00 1.22 -0.35 2.53 0.31 0.30 -5.01 118.33 118.33 1aml n VAL 24 Ca 0.26 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1aml n VAL 24 Cb 0.95 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1aml n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aml n GLY 25 N 1.66 0.80 3.94 2.92 0.00 -0.96 -4.39 105.19 109.16 1aml n GLY 25 Ca -0.11 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1aml n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aml n SER 26 N 0.08 -0.41 -4.54 1.61 7.64 -1.26 -4.67 113.62 112.07 1aml n SER 26 Ca 0.00 -0.99 -0.14 0.00 1.01 0.00 0.00 58.87 58.75 1aml n SER 26 Cb 0.08 -3.12 -0.10 0.00 -1.01 0.00 0.00 64.21 60.06 1aml n SER 26 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1aml n ASN 27 N -2.99 1.24 -2.40 6.43 4.05 -1.26 -3.28 115.26 117.05 1aml n ASN 27 Ca -0.30 -1.59 -0.05 0.00 0.45 0.00 0.00 54.58 53.08 1aml n ASN 27 Cb 0.68 -1.53 0.01 0.00 1.23 0.00 0.00 39.78 40.17 1aml n ASN 27 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1aml n LYS 28 N 8.18 -1.58 -1.11 1.20 4.81 -1.26 -5.00 118.16 123.40 1aml n LYS 28 Ca 0.47 1.58 -0.03 0.00 -0.87 0.00 0.00 58.31 59.45 1aml n LYS 28 Cb 0.41 -4.28 -0.04 0.00 0.02 0.00 0.00 35.03 31.14 1aml n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aml n GLY 29 N -0.37 0.67 0.05 3.14 0.00 -1.20 -4.95 105.19 102.53 1aml n GLY 29 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 1aml n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aml n ALA 30 N 0.15 0.43 -0.23 4.61 0.00 -1.26 -3.59 120.51 120.62 1aml n ALA 30 Ca -0.16 -0.45 0.22 0.00 0.00 0.00 0.00 53.44 53.04 1aml n ALA 30 Cb 0.82 0.01 0.57 0.00 0.00 0.00 0.00 19.45 20.85 1aml n ALA 30 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aml h ILE 31 N -0.69 0.63 -0.11 0.00 5.03 -2.00 0.70 117.51 121.07 1aml h ILE 31 Ca 0.00 -0.10 -0.01 0.00 -0.12 0.00 0.00 64.86 64.63 1aml h ILE 31 Cb 0.49 0.31 -0.00 0.00 -3.03 0.00 0.00 36.82 34.58 1aml h ILE 31 CO 0.00 0.05 0.02 0.16 -0.68 0.00 0.00 178.15 177.71 1aml h ILE 32 N 0.30 1.20 -0.51 -0.67 3.07 -1.93 -1.91 117.51 117.05 1aml h ILE 32 Ca 0.47 -0.62 0.15 0.00 1.55 0.00 0.00 64.86 66.41 1aml h ILE 32 Cb 1.33 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 39.27 1aml h ILE 32 CO -0.14 0.18 0.39 1.23 -1.05 0.00 0.00 178.15 178.75 1aml h GLY 33 N -0.04 0.00 0.00 0.16 0.00 -0.93 -2.30 103.07 99.96 1aml h GLY 33 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1aml h GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1aml n LEU 34 N -4.30 0.00 -0.31 3.11 7.94 -0.73 -2.24 117.00 120.48 1aml n LEU 34 Ca 0.09 0.99 0.32 0.00 -1.11 0.00 0.00 56.01 56.31 1aml n LEU 34 Cb 0.60 -0.49 0.70 0.00 0.53 0.00 0.00 43.42 44.76 1aml n LEU 34 CO 0.36 -0.49 1.29 0.00 -1.11 0.00 0.00 177.39 177.44 1aml h MET 35 N 0.00 0.08 -1.14 1.96 -0.00 -1.40 0.39 114.93 114.82 1aml h MET 35 Ca 0.00 -0.01 -0.18 0.00 -0.00 0.00 0.00 59.70 59.51 1aml h MET 35 Cb 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 31.60 31.48 1aml h MET 35 CO 0.00 0.06 0.23 0.28 -0.00 0.00 0.00 176.91 177.48 1aml n VAL 36 N -4.29 1.89 -0.85 -0.10 0.31 -0.90 -3.91 118.33 110.49 1aml n VAL 36 Ca 0.25 -0.77 0.08 0.00 -0.01 0.00 0.00 64.34 63.89 1aml n VAL 36 Cb 1.14 -0.94 0.22 0.00 -0.91 0.00 0.00 33.84 33.34 1aml n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aml n GLY 37 N 0.12 3.96 2.30 2.92 0.00 0.14 -4.73 105.19 109.88 1aml n GLY 37 Ca 0.20 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1aml n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aml n GLY 38 N -0.51 3.63 1.06 -0.02 0.00 -1.25 -4.85 105.19 103.25 1aml n GLY 38 Ca 0.18 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 44.18 1aml n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aml n VAL 39 N 1.24 0.26 0.27 1.61 0.24 -1.26 -5.19 118.33 115.50 1aml n VAL 39 Ca 0.25 -0.94 0.03 0.00 -2.04 0.00 0.00 64.34 61.64 1aml n VAL 39 Cb 0.48 0.69 0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1aml n VAL 39 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21