#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 3.15 -0.39 2.24 0.00 -1.26 -5.05 121.76 120.45 1aml s ALA 2 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1aml s ALA 2 Cb 0.00 -3.00 0.12 0.00 0.00 0.00 0.00 23.12 20.24 1aml s ALA 2 CO 0.00 -0.50 0.16 -1.21 0.00 0.00 0.00 175.76 174.21 1aml s GLU 3 N -4.80 1.27 0.00 0.00 0.41 -1.26 -5.07 118.70 109.25 1aml s GLU 3 Ca 0.55 -1.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 1aml s GLU 3 Cb -0.11 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 1aml s GLU 3 CO 0.46 -1.06 0.00 1.97 -0.49 0.00 0.00 175.26 176.14 1aml n PHE 4 N 3.99 0.00 -2.16 1.61 -1.74 -1.26 -5.12 117.46 112.77 1aml n PHE 4 Ca 0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.91 1aml n PHE 4 Cb 0.38 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.36 1aml n PHE 4 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1aml n ARG 5 N 0.00 -3.68 -3.90 3.97 3.00 -1.26 -5.09 116.66 109.70 1aml n ARG 5 Ca 0.00 2.84 -0.08 0.00 -0.00 0.00 0.00 57.85 60.61 1aml n ARG 5 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 32.46 28.57 1aml n ARG 5 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1aml s HIS 6 N -0.47 0.03 0.00 -0.14 -3.43 -1.26 -5.11 115.29 104.90 1aml s HIS 6 Ca -0.11 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 53.67 1aml s HIS 6 Cb 0.01 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1aml s HIS 6 CO 0.30 -1.21 0.00 -0.25 -2.00 0.00 0.00 174.74 171.58 1aml n ASP 7 N -0.58 0.00 -3.67 7.38 9.92 -1.26 -4.98 116.55 123.36 1aml n ASP 7 Ca -0.04 0.22 -0.26 0.00 -0.53 0.00 0.00 54.79 54.18 1aml n ASP 7 Cb 0.60 -0.35 0.02 0.00 -0.64 0.00 0.00 41.12 40.75 1aml n ASP 7 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1aml n SER 8 N -1.79 -5.45 -1.76 -2.24 2.88 -1.26 -4.87 113.62 99.13 1aml n SER 8 Ca 0.00 -0.89 -0.01 0.00 -1.33 0.00 0.00 58.87 56.65 1aml n SER 8 Cb 0.00 -2.96 0.01 0.00 -0.75 0.00 0.00 64.21 60.51 1aml n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aml n GLY 9 N -1.74 -0.62 0.00 0.46 0.00 -1.26 -5.11 105.19 96.91 1aml n GLY 9 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1aml n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1aml n TYR 10 N -0.24 0.00 -2.82 1.61 9.36 -1.26 -5.16 117.16 118.65 1aml n TYR 10 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1aml n TYR 10 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 1aml n TYR 10 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1aml n GLU 11 N 0.00 0.00 -0.53 2.98 1.02 -1.26 -4.99 120.64 117.86 1aml n GLU 11 Ca 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 57.16 57.57 1aml n GLU 11 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 31.44 32.12 1aml n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1aml n VAL 12 N 0.00 -0.17 -0.69 2.62 0.31 -1.26 0.19 118.33 119.32 1aml n VAL 12 Ca 0.00 1.67 -0.10 0.00 -0.01 0.00 0.00 64.34 65.90 1aml n VAL 12 Cb 0.00 -2.75 0.02 0.00 -0.91 0.00 0.00 33.84 30.21 1aml n VAL 12 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1aml n HIS 13 N -4.43 0.91 0.00 3.52 8.25 -1.26 -3.87 115.22 118.34 1aml n HIS 13 Ca 0.41 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.32 1aml n HIS 13 Cb 1.66 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1aml n HIS 13 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1aml n HIS 14 N 0.79 -0.64 0.28 4.41 -0.00 0.49 -4.83 115.22 115.72 1aml n HIS 14 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.94 1aml n HIS 14 Cb 0.56 0.14 0.17 0.00 -0.00 0.00 0.00 29.99 30.85 1aml n HIS 14 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1aml n GLN 15 N -1.78 0.01 -0.10 1.57 1.13 -0.91 -2.04 117.38 115.27 1aml n GLN 15 Ca 0.00 0.35 -0.15 0.00 -1.94 0.00 0.00 57.00 55.27 1aml n GLN 15 Cb 0.00 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.71 1aml n GLN 15 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aml n LYS 16 N -1.49 0.67 0.19 -1.09 4.76 -1.26 -3.62 118.16 116.33 1aml n LYS 16 Ca 0.02 0.11 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 1aml n LYS 16 Cb 0.09 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 1aml n LYS 16 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1aml h LEU 17 N 0.01 -0.45 0.00 -0.35 3.38 -1.75 -2.63 115.31 113.52 1aml h LEU 17 Ca -0.53 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1aml h LEU 17 Cb 2.05 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.91 1aml h LEU 17 CO -0.02 -0.05 0.00 0.52 0.09 0.00 0.00 178.44 178.98 1aml n VAL 18 N -5.17 0.00 -0.11 1.22 0.31 -0.87 -1.16 118.33 112.55 1aml n VAL 18 Ca -0.10 1.18 0.08 0.00 -0.01 0.00 0.00 64.34 65.49 1aml n VAL 18 Cb 0.28 -1.91 0.16 0.00 -0.91 0.00 0.00 33.84 31.46 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 -1.39 0.32 0.36 3.52 7.35 -1.24 0.29 117.46 126.66 1aml n PHE 19 Ca 0.00 0.39 -0.14 0.00 -0.76 0.00 0.00 57.45 56.94 1aml n PHE 19 Cb 0.00 -0.81 -0.07 0.00 0.35 0.00 0.00 39.48 38.95 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 -0.86 -0.85 -5.13 3.57 -0.74 -1.22 116.94 111.71 1aml h PHE 20 Ca 0.25 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.92 1aml h PHE 20 Cb 0.61 0.28 -0.15 0.00 2.79 0.00 0.00 35.95 39.48 1aml h PHE 20 CO -0.06 -0.53 -0.05 0.00 -2.23 0.00 0.00 178.31 175.43 1aml h ALA 21 N -1.37 0.83 -0.80 2.41 0.00 0.56 0.73 119.26 121.61 1aml h ALA 21 Ca -0.09 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1aml h ALA 21 Cb 0.71 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1aml h ALA 21 CO 0.16 -0.45 0.50 0.93 0.00 0.00 0.00 179.25 180.38 1aml h GLU 22 N 0.05 0.93 -0.64 0.00 5.08 -0.90 -1.30 114.58 117.81 1aml h GLU 22 Ca 0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1aml h GLU 22 Cb 0.83 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1aml h GLU 22 CO -0.80 0.62 0.00 -0.25 -1.00 0.00 0.00 179.01 177.58 1aml n ASP 23 N -4.62 4.67 -4.92 1.42 9.92 0.16 -4.93 116.55 118.27 1aml n ASP 23 Ca 0.10 -2.59 -0.26 0.00 -0.53 0.00 0.00 54.79 51.50 1aml n ASP 23 Cb 0.11 -0.60 -0.01 0.00 -0.64 0.00 0.00 41.12 39.98 1aml n ASP 23 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1aml s VAL 24 N -2.16 4.99 -0.21 2.53 1.01 0.20 -5.01 120.40 121.75 1aml s VAL 24 Ca 0.46 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1aml s VAL 24 Cb 0.32 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.74 1aml s VAL 24 CO 0.18 -0.66 -0.10 0.61 0.00 0.00 0.00 175.10 175.13 1aml n GLY 25 N -1.87 -0.71 2.70 4.51 0.00 -1.26 -4.91 105.19 103.64 1aml n GLY 25 Ca -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1aml n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aml n SER 26 N -4.42 -1.85 -3.63 1.61 3.41 -1.26 -5.04 113.62 102.44 1aml n SER 26 Ca -0.31 -2.64 -0.41 0.00 -0.26 0.00 0.00 58.87 55.24 1aml n SER 26 Cb 0.64 1.42 -0.00 0.00 -0.26 0.00 0.00 64.21 66.01 1aml n SER 26 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aml n ASN 27 N 0.82 6.40 -4.33 4.04 4.13 -1.26 -4.99 115.26 120.07 1aml n ASN 27 Ca 0.02 -2.98 -0.33 0.00 1.68 0.00 0.00 54.58 52.97 1aml n ASN 27 Cb 0.71 -1.49 0.13 0.00 -1.54 0.00 0.00 39.78 37.59 1aml n ASN 27 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1aml n LYS 28 N 3.57 -0.68 -2.69 3.52 4.81 -1.26 -4.99 118.16 120.44 1aml n LYS 28 Ca 0.56 -0.17 -0.04 0.00 -0.87 0.00 0.00 58.31 57.78 1aml n LYS 28 Cb 0.31 -1.72 0.04 0.00 0.02 0.00 0.00 35.03 33.68 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 1.86 -1.37 0.71 3.14 0.00 -1.26 -5.01 105.19 103.27 1aml n GLY 29 Ca 0.04 0.97 -0.07 0.00 0.00 0.00 0.00 46.02 46.96 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 2.25 2.32 0.11 4.61 0.00 -1.26 -4.37 120.51 124.18 1aml n ALA 30 Ca 0.09 -0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1aml n ALA 30 Cb 0.65 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.38 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 -0.35 0.89 -0.10 0.00 5.03 -1.99 -3.22 117.51 117.77 1aml h ILE 31 Ca -0.14 -2.31 -0.05 0.00 -0.12 0.00 0.00 64.86 62.25 1aml h ILE 31 Cb 0.83 2.40 -0.00 0.00 -3.03 0.00 0.00 36.82 37.03 1aml h ILE 31 CO -0.08 0.51 -0.12 0.16 -0.68 0.00 0.00 178.15 177.94 1aml h ILE 32 N 0.00 1.37 0.00 -0.67 3.07 -1.95 -1.75 117.51 117.58 1aml h ILE 32 Ca -0.03 -1.31 0.00 0.00 1.55 0.00 0.00 64.86 65.07 1aml h ILE 32 Cb 1.46 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 40.02 1aml h ILE 32 CO 0.07 0.37 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 1aml n GLY 33 N 0.27 -0.73 0.12 0.16 0.00 -1.25 -2.62 105.19 101.14 1aml n GLY 33 Ca -0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1aml n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aml n LEU 34 N -1.41 2.12 -0.35 0.99 7.94 -0.98 -4.16 117.00 121.16 1aml n LEU 34 Ca 0.03 0.31 0.37 0.00 -1.11 0.00 0.00 56.01 55.61 1aml n LEU 34 Cb 0.10 -0.95 0.75 0.00 0.53 0.00 0.00 43.42 43.85 1aml n LEU 34 CO 0.08 0.52 1.34 0.00 -1.11 0.00 0.00 177.39 178.22 1aml h MET 35 N -0.73 0.00 -1.13 1.96 -0.00 -1.08 0.45 114.93 114.41 1aml h MET 35 Ca -0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.06 1aml h MET 35 Cb 1.57 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 33.08 1aml h MET 35 CO -0.21 0.00 0.21 0.28 -0.00 0.00 0.00 176.91 177.19 1aml n VAL 36 N -4.11 1.81 -0.66 -0.10 0.31 -1.23 -3.51 118.33 110.84 1aml n VAL 36 Ca 0.27 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1aml n VAL 36 Cb 1.32 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.15 -0.45 2.81 2.92 0.00 0.16 -4.93 105.19 105.84 1aml n GLY 37 Ca 0.18 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1aml n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aml s GLY 38 N -0.48 2.29 -0.14 -0.02 0.00 -1.23 -4.88 107.32 102.85 1aml s GLY 38 Ca 0.01 -3.21 0.18 0.00 0.00 0.00 0.00 44.72 41.69 1aml s GLY 38 CO 0.00 1.30 1.18 3.33 0.00 0.00 0.00 173.10 178.92 1aml n VAL 39 N 2.77 1.29 0.00 1.40 0.24 -1.26 -5.12 118.33 117.65 1aml n VAL 39 Ca 0.14 -2.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.98 1aml n VAL 39 Cb 0.36 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1aml n VAL 39 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24