#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2o n PRO 2 N 0.00 1.41 0.27 5.56 -0.02 -1.26 -4.90 135.00 136.06 1p2o n PRO 2 Ca 0.00 0.53 0.17 0.00 -2.02 0.00 0.00 63.50 62.18 1p2o n PRO 2 Cb 0.00 -2.52 0.71 0.00 -0.02 0.00 0.00 33.50 31.67 1p2o n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1p2o h ASP 3 N 1.02 0.00 0.36 2.55 3.32 -2.01 -2.67 116.42 118.98 1p2o h ASP 3 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1p2o h ASP 3 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1p2o h ASP 3 CO 0.55 0.00 0.00 2.19 -1.72 0.00 0.00 179.24 180.26 1p2o h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -0.80 116.94 113.56 1p2o h PHE 4 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1p2o h PHE 4 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 1p2o h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1p2o n LEU 6 N -2.62 1.49 -4.76 0.00 4.77 -0.30 -4.56 117.00 111.02 1p2o n LEU 6 Ca 0.02 -0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 55.13 1p2o n LEU 6 Cb 0.28 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1p2o n LEU 6 CO 0.24 0.27 0.63 -1.61 -1.33 0.00 0.00 177.39 175.59 1p2o s GLU 7 N -2.41 4.74 0.87 3.23 0.41 -1.09 -4.95 118.70 119.50 1p2o s GLU 7 Ca 0.24 1.39 -0.11 0.00 -0.41 0.00 0.00 54.97 56.09 1p2o s GLU 7 Cb 0.19 -3.13 0.12 0.00 -1.78 0.00 0.00 34.13 29.53 1p2o s GLU 7 CO 0.50 0.45 1.10 -1.25 -0.49 0.00 0.00 175.26 175.57 1p2o s PRO 8 N -1.45 1.41 0.42 0.39 0.04 -1.26 -4.91 135.00 129.64 1p2o s PRO 8 Ca 0.43 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 1p2o s PRO 8 Cb -0.23 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1p2o s PRO 8 CO 0.29 -2.20 1.40 -1.25 0.04 0.00 0.00 177.00 175.28 1p2o s PRO 9 N -4.84 3.89 -0.24 0.56 0.04 -1.26 -5.01 135.00 128.14 1p2o s PRO 9 Ca 0.63 2.37 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1p2o s PRO 9 Cb -0.19 -2.78 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1p2o s PRO 9 CO 0.57 -0.63 -0.10 -0.47 0.04 0.00 0.00 177.00 176.41 1p2o s TYR 10 N -1.20 3.09 0.08 0.56 5.04 -1.26 -4.99 117.35 118.67 1p2o s TYR 10 Ca 0.57 -1.85 -0.15 0.00 -2.44 0.00 0.00 57.07 53.20 1p2o s TYR 10 Cb -0.43 -1.99 -0.13 0.00 0.35 0.00 0.00 41.96 39.76 1p2o s TYR 10 CO 0.56 -0.80 1.33 1.15 -1.34 0.00 0.00 175.55 176.44 1p2o h THR 11 N 6.32 1.32 0.00 4.34 2.02 -1.95 -3.44 112.91 121.52 1p2o h THR 11 Ca -0.30 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1p2o h THR 11 Cb 1.09 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1p2o h THR 11 CO 0.55 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.59 1p2o n GLY 12 N 0.49 -0.02 0.20 2.16 0.00 -1.26 -0.15 105.19 106.60 1p2o n GLY 12 Ca -0.06 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.21 1p2o n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p2o h PRO 13 N 0.00 0.00 -7.23 1.61 0.13 -1.94 -3.44 132.00 121.14 1p2o h PRO 13 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1p2o h PRO 13 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 1p2o h PRO 13 CO 0.00 0.20 0.37 0.00 -0.23 0.00 0.00 178.00 178.34 1p2o n VAL 15 N -2.56 3.09 -2.26 0.00 0.24 -1.23 -4.32 118.33 111.29 1p2o n VAL 15 Ca 0.10 -3.45 -0.22 0.00 -2.04 0.00 0.00 64.34 58.72 1p2o n VAL 15 Cb 0.52 -1.09 0.13 0.00 -1.47 0.00 0.00 33.84 31.94 1p2o n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p2o n ALA 16 N -0.85 -0.43 -3.33 2.33 0.00 -0.40 -5.04 120.51 112.79 1p2o n ALA 16 Ca 0.53 -1.64 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 1p2o n ALA 16 Cb 0.84 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 20.35 1p2o n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1p2o n ARG 17 N -2.95 1.18 -3.67 0.00 0.63 -1.26 -4.37 116.66 106.23 1p2o n ARG 17 Ca 0.14 -3.68 -0.37 0.00 -0.92 0.00 0.00 57.85 53.03 1p2o n ARG 17 Cb 0.51 -1.62 -0.10 0.00 0.45 0.00 0.00 32.46 31.69 1p2o n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p2o s ILE 18 N -1.36 5.19 -0.10 5.15 1.01 -0.66 -4.91 121.20 125.52 1p2o s ILE 18 Ca 0.35 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.83 1p2o s ILE 18 Cb 0.13 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1p2o s ILE 18 CO -0.10 0.32 1.27 -0.63 0.00 0.00 0.00 174.94 175.79 1p2o s ILE 19 N 1.32 4.19 0.30 2.92 1.01 -1.26 -0.03 121.20 129.65 1p2o s ILE 19 Ca 0.07 1.48 0.02 0.00 0.00 0.00 0.00 60.65 62.23 1p2o s ILE 19 Cb -0.14 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1p2o s ILE 19 CO 0.06 -0.07 0.11 -0.13 0.00 0.00 0.00 174.94 174.92 1p2o s ARG 20 N 2.89 1.56 0.04 2.79 1.81 -0.59 -4.94 118.95 122.51 1p2o s ARG 20 Ca 0.57 -1.88 0.08 0.00 -1.72 0.00 0.00 55.73 52.78 1p2o s ARG 20 Cb -0.24 -0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 33.89 1p2o s ARG 20 CO 0.19 -0.35 -0.22 0.71 -0.68 0.00 0.00 175.30 174.96 1p2o s TYR 21 N -3.58 2.46 0.04 -0.53 1.51 -0.27 -1.07 117.35 115.91 1p2o s TYR 21 Ca 0.35 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1p2o s TYR 21 Cb 0.06 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1p2o s TYR 21 CO 0.15 0.19 -0.06 -0.59 -1.11 0.00 0.00 175.55 174.13 1p2o s PHE 22 N -0.86 0.55 -0.08 2.71 -0.71 -0.04 -0.52 117.98 119.03 1p2o s PHE 22 Ca 0.13 -0.56 -0.24 0.00 -1.04 0.00 0.00 56.93 55.22 1p2o s PHE 22 Cb -0.10 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.33 1p2o s PHE 22 CO 0.03 -0.13 0.75 -0.47 -1.34 0.00 0.00 175.22 174.06 1p2o s TYR 23 N -1.67 3.55 -0.56 3.49 5.04 -1.26 -0.69 117.35 125.25 1p2o s TYR 23 Ca -0.10 1.28 -0.13 0.00 -2.44 0.00 0.00 57.07 55.68 1p2o s TYR 23 Cb -0.08 -2.87 0.14 0.00 0.35 0.00 0.00 41.96 39.50 1p2o s TYR 23 CO -0.01 0.01 0.48 1.21 -1.34 0.00 0.00 175.55 175.91 1p2o s ASN 24 N 0.90 6.08 0.47 4.32 3.84 0.15 -4.81 114.94 125.88 1p2o s ASN 24 Ca 0.39 -1.99 0.15 0.00 0.21 0.00 0.00 52.86 51.62 1p2o s ASN 24 Cb -0.18 -2.13 1.14 0.00 -0.55 0.00 0.00 41.25 39.53 1p2o s ASN 24 CO 0.18 -0.75 2.05 0.00 -2.79 0.00 0.00 177.10 175.79 1p2o h ALA 25 N 8.54 2.04 -0.43 1.71 0.00 -1.83 0.26 119.26 129.55 1p2o h ALA 25 Ca -0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1p2o h ALA 25 Cb 1.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1p2o h ALA 25 CO 0.93 -0.12 -0.04 0.87 0.00 0.00 0.00 179.25 180.90 1p2o h LYS 26 N 0.24 0.72 0.00 0.00 1.57 -1.94 -3.07 116.57 114.09 1p2o h LYS 26 Ca 0.16 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1p2o h LYS 26 Cb 0.35 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1p2o h LYS 26 CO -0.03 0.76 -1.57 0.00 -0.57 0.00 0.00 179.45 178.04 1p2o n ALA 27 N -2.48 2.67 -0.87 3.86 0.00 -0.81 -4.98 120.51 117.89 1p2o n ALA 27 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1p2o n ALA 27 Cb 0.31 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1p2o n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2o n GLY 28 N 1.23 0.51 3.31 0.00 0.00 0.86 -5.04 105.19 106.06 1p2o n GLY 28 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1p2o n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1p2o s LEU 29 N 0.00 1.04 0.01 0.99 0.05 -1.15 -4.70 118.68 114.91 1p2o s LEU 29 Ca 0.00 -1.15 -0.22 0.00 0.05 0.00 0.00 54.13 52.81 1p2o s LEU 29 Cb 0.00 0.84 -0.05 0.00 -2.05 0.00 0.00 46.19 44.93 1p2o s LEU 29 CO 0.00 -0.90 0.65 0.00 -0.55 0.00 0.00 176.35 175.55 1p2o s GLN 31 N -0.10 1.41 0.41 0.00 -0.21 0.13 -4.92 119.66 116.37 1p2o s GLN 31 Ca 0.34 -1.68 -0.09 0.00 0.02 0.00 0.00 55.36 53.95 1p2o s GLN 31 Cb -0.19 -1.04 -0.06 0.00 1.00 0.00 0.00 33.01 32.72 1p2o s GLN 31 CO 0.19 0.08 0.76 0.95 -2.12 0.00 0.00 175.29 175.15 1p2o s THR 32 N -3.07 4.82 0.20 -0.19 -4.23 -1.26 -0.86 115.64 111.04 1p2o s THR 32 Ca 0.26 0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 61.10 1p2o s THR 32 Cb 0.02 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1p2o s THR 32 CO 0.09 -0.55 0.55 0.72 -0.54 0.00 0.00 174.62 174.89 1p2o s PHE 33 N -2.40 -0.20 -0.24 3.99 -0.71 -0.23 -4.90 117.98 113.29 1p2o s PHE 33 Ca 0.50 -0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 56.10 1p2o s PHE 33 Cb -0.10 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1p2o s PHE 33 CO 0.33 -0.93 0.42 0.08 -1.34 0.00 0.00 175.22 173.78 1p2o s VAL 34 N -3.86 5.16 -0.12 -2.49 1.01 -1.26 -1.54 120.40 117.30 1p2o s VAL 34 Ca 0.08 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 1p2o s VAL 34 Cb -0.01 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1p2o s VAL 34 CO -0.04 0.18 0.09 -0.47 0.00 0.00 0.00 175.10 174.87 1p2o s TYR 35 N 1.78 3.43 -0.22 5.22 5.04 0.96 -4.45 117.35 129.11 1p2o s TYR 35 Ca 0.18 0.37 0.29 0.00 -2.44 0.00 0.00 57.07 55.47 1p2o s TYR 35 Cb -0.15 -1.93 1.00 0.00 0.35 0.00 0.00 41.96 41.22 1p2o s TYR 35 CO 0.09 0.57 1.83 0.78 -1.34 0.00 0.00 175.55 177.47 1p2o h GLY 36 N 5.35 0.00 0.00 8.97 0.00 -0.74 -1.77 103.07 114.88 1p2o h GLY 36 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1p2o h GLY 36 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1p2o n GLY 37 N 0.41 0.85 3.18 4.60 0.00 -1.26 -1.28 105.19 111.70 1p2o n GLY 37 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1p2o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2o n ARG 39 N 1.18 -6.21 -1.88 0.00 1.74 -1.26 -4.38 116.66 105.85 1p2o n ARG 39 Ca -0.21 0.68 -0.38 0.00 -0.77 0.00 0.00 57.85 57.16 1p2o n ARG 39 Cb 0.57 -5.26 0.03 0.00 -1.02 0.00 0.00 32.46 26.77 1p2o n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p2o s ALA 40 N -3.27 2.94 0.76 7.54 0.00 -1.26 -4.86 121.76 123.61 1p2o s ALA 40 Ca 0.35 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 1p2o s ALA 40 Cb -0.15 -3.53 0.14 0.00 0.00 0.00 0.00 23.12 19.57 1p2o s ALA 40 CO 0.59 -1.19 1.05 0.15 0.00 0.00 0.00 175.76 176.36 1p2o s LYS 41 N -2.76 1.51 0.35 0.00 1.02 -1.26 -5.01 119.74 113.59 1p2o s LYS 41 Ca 0.68 -1.01 0.18 0.00 0.02 0.00 0.00 55.97 55.83 1p2o s LYS 41 Cb -0.39 -2.26 0.54 0.00 -0.52 0.00 0.00 37.83 35.21 1p2o s LYS 41 CO 0.47 -1.60 1.67 0.00 -0.92 0.00 0.00 175.35 174.96 1p2o h ARG 42 N -0.70 0.00 -3.85 1.68 3.08 -1.96 -3.33 114.38 109.30 1p2o h ARG 42 Ca -0.37 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.95 1p2o h ARG 42 Cb 1.26 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 1p2o h ARG 42 CO 0.40 0.42 2.68 -1.71 -1.07 0.00 0.00 179.97 180.68 1p2o n ASN 43 N -3.46 4.37 -3.27 7.04 5.15 -1.26 -4.69 115.26 119.13 1p2o n ASN 43 Ca 0.00 -2.95 0.02 0.00 -0.60 0.00 0.00 54.58 51.06 1p2o n ASN 43 Cb 0.56 -1.59 -0.02 0.00 -0.53 0.00 0.00 39.78 38.20 1p2o n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1p2o s ASN 44 N 2.32 -1.23 0.10 1.20 3.84 -1.25 -4.55 114.94 115.37 1p2o s ASN 44 Ca 0.44 0.99 0.07 0.00 0.21 0.00 0.00 52.86 54.57 1p2o s ASN 44 Cb 0.12 2.12 -0.03 0.00 -0.55 0.00 0.00 41.25 42.91 1p2o s ASN 44 CO -0.05 -0.25 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.48 1p2o s PHE 45 N 2.85 1.52 -0.64 0.43 0.40 0.32 -4.93 117.98 117.92 1p2o s PHE 45 Ca 0.15 -0.46 0.26 0.00 -0.60 0.00 0.00 56.93 56.27 1p2o s PHE 45 Cb -0.14 -0.83 0.84 0.00 0.51 0.00 0.00 43.02 43.40 1p2o s PHE 45 CO -0.20 0.15 1.76 0.87 0.70 0.00 0.00 175.22 178.50 1p2o h LYS 46 N 3.99 0.00 -3.65 0.44 1.57 -1.93 -0.69 116.57 116.30 1p2o h LYS 46 Ca -0.43 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.22 1p2o h LYS 46 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.31 1p2o h LYS 46 CO 0.43 0.00 -0.48 -1.54 -0.57 0.00 0.00 179.45 177.29 1p2o s SER 47 N -4.56 0.09 0.32 0.86 1.04 -1.26 -4.88 113.70 105.32 1p2o s SER 47 Ca 0.09 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1p2o s SER 47 Cb 0.11 0.24 0.56 0.00 0.10 0.00 0.00 66.02 67.03 1p2o s SER 47 CO 0.55 -0.48 1.89 0.00 0.98 0.00 0.00 173.24 176.18 1p2o h ALA 48 N 3.79 1.36 -0.21 5.32 0.00 -1.97 -2.60 119.26 124.95 1p2o h ALA 48 Ca -0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1p2o h ALA 48 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1p2o h ALA 48 CO 0.47 0.46 0.10 1.49 0.00 0.00 0.00 179.25 181.76 1p2o h GLU 49 N 0.64 0.31 -0.44 0.00 4.81 -1.99 -1.11 114.58 116.79 1p2o h GLU 49 Ca 0.15 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1p2o h GLU 49 Cb 0.24 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1p2o h GLU 49 CO -0.00 0.34 0.14 -0.44 -0.73 0.00 0.00 179.01 178.32 1p2o h ASP 50 N 0.21 0.14 -0.09 1.04 3.32 -1.93 -1.23 116.42 117.87 1p2o h ASP 50 Ca 0.07 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1p2o h ASP 50 Cb 0.14 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1p2o h ASP 50 CO -0.01 0.11 0.03 0.00 -1.72 0.00 0.00 179.24 177.65 1p2o h LEU 52 N 0.07 0.71 -1.19 0.00 3.38 -0.88 0.20 115.31 117.60 1p2o h LEU 52 Ca 0.04 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1p2o h LEU 52 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1p2o h LEU 52 CO -0.04 0.76 -0.36 0.03 0.09 0.00 0.00 178.44 178.91 1p2o h ARG 53 N 0.71 0.00 0.07 1.13 3.08 -1.05 0.14 114.38 118.46 1p2o h ARG 53 Ca 0.15 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.83 1p2o h ARG 53 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1p2o h ARG 53 CO 0.01 0.36 -2.17 2.41 -1.07 0.00 0.00 179.97 179.51 1p2o n THR 54 N -3.80 1.65 0.20 2.04 -1.04 -0.79 -4.68 114.28 107.86 1p2o n THR 54 Ca -0.01 -0.64 0.02 0.00 -2.04 0.00 0.00 64.05 61.38 1p2o n THR 54 Cb 0.44 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 1p2o n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p2o n GLY 56 N 0.83 0.69 1.23 0.00 0.00 0.50 -1.09 105.19 107.35 1p2o n GLY 56 Ca 0.01 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1p2o n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2o n GLY 57 N 3.54 1.01 0.00 -0.02 0.00 -1.26 -4.95 105.19 103.50 1p2o n GLY 57 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1p2o n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32