#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2o s PRO 2 N 0.00 3.06 0.47 5.56 0.02 -1.26 -4.91 135.00 137.94 1p2o s PRO 2 Ca 0.00 2.20 0.24 0.00 0.02 0.00 0.00 61.00 63.46 1p2o s PRO 2 Cb 0.00 -2.19 1.16 0.00 0.02 0.00 0.00 34.50 33.49 1p2o s PRO 2 CO 0.00 -1.24 1.95 -0.44 -0.33 0.00 0.00 177.00 176.94 1p2o h ASP 3 N 1.32 0.00 0.09 2.53 3.32 -2.01 -2.67 116.42 119.00 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 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1p2o h ASP 3 CO 0.57 0.19 0.00 2.19 -1.72 0.00 0.00 179.24 180.47 1p2o h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -0.29 116.94 114.06 1p2o h PHE 4 Ca -0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1p2o h PHE 4 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.70 1p2o h PHE 4 CO 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 178.31 176.28 1p2o n LEU 6 N -3.16 1.49 -4.77 0.00 4.77 -0.12 -4.58 117.00 110.63 1p2o n LEU 6 Ca -0.01 -0.47 -0.38 0.00 -0.03 0.00 0.00 56.01 55.12 1p2o n LEU 6 Cb 0.24 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1p2o n LEU 6 CO 0.26 0.26 0.62 -1.61 -1.33 0.00 0.00 177.39 175.60 1p2o s GLU 7 N -2.31 4.65 0.80 3.23 0.41 -0.96 -4.95 118.70 119.58 1p2o s GLU 7 Ca 0.28 1.34 -0.11 0.00 -0.41 0.00 0.00 54.97 56.07 1p2o s GLU 7 Cb 0.20 -2.99 0.08 0.00 -1.78 0.00 0.00 34.13 29.63 1p2o s GLU 7 CO 0.45 0.39 1.12 -1.25 -0.49 0.00 0.00 175.26 175.48 1p2o s PRO 8 N -1.70 1.92 0.44 0.39 0.04 -1.26 -4.92 135.00 129.90 1p2o s PRO 8 Ca 0.46 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 1p2o s PRO 8 Cb -0.21 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1p2o s PRO 8 CO 0.26 -1.92 1.42 -1.25 0.04 0.00 0.00 177.00 175.55 1p2o s PRO 9 N -4.71 3.76 -0.24 0.56 0.04 -1.26 -5.00 135.00 128.14 1p2o s PRO 9 Ca 0.64 2.41 0.02 0.00 0.04 0.00 0.00 61.00 64.11 1p2o s PRO 9 Cb -0.20 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.69 1p2o s PRO 9 CO 0.55 -0.76 -0.13 -0.47 0.04 0.00 0.00 177.00 176.23 1p2o s TYR 10 N -1.20 3.12 0.09 0.56 5.04 -1.26 -5.00 117.35 118.69 1p2o s TYR 10 Ca 0.60 -2.07 -0.15 0.00 -2.44 0.00 0.00 57.07 53.01 1p2o s TYR 10 Cb -0.43 -1.94 -0.11 0.00 0.35 0.00 0.00 41.96 39.82 1p2o s TYR 10 CO 0.56 -0.85 1.36 1.15 -1.34 0.00 0.00 175.55 176.44 1p2o h THR 11 N 6.48 1.31 0.00 4.34 2.02 -1.95 -3.43 112.91 121.68 1p2o h THR 11 Ca -0.28 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1p2o h THR 11 Cb 1.07 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1p2o h THR 11 CO 0.52 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.53 1p2o n GLY 12 N 0.36 -0.08 0.20 2.16 0.00 -1.26 -0.19 105.19 106.37 1p2o n GLY 12 Ca -0.05 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 -7.26 1.61 0.13 -1.94 -3.44 132.00 121.10 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 0.12 0.00 0.13 0.00 0.00 31.00 31.25 1p2o h PRO 13 CO 0.00 0.24 0.34 0.00 -0.23 0.00 0.00 178.00 178.35 1p2o n VAL 15 N -3.08 3.00 -2.40 0.00 0.24 -1.22 -4.43 118.33 110.44 1p2o n VAL 15 Ca 0.10 -3.34 -0.26 0.00 -2.04 0.00 0.00 64.34 58.80 1p2o n VAL 15 Cb 0.52 -0.97 0.14 0.00 -1.47 0.00 0.00 33.84 32.07 1p2o n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p2o s ALA 16 N -3.61 3.26 -0.54 2.33 0.00 -0.31 -5.05 121.76 117.84 1p2o s ALA 16 Ca 0.56 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.94 1p2o s ALA 16 Cb 0.45 -2.21 0.22 0.00 0.00 0.00 0.00 23.12 21.59 1p2o s ALA 16 CO 0.02 -1.82 0.57 -2.13 0.00 0.00 0.00 175.76 172.40 1p2o n ARG 17 N -3.15 1.46 -3.74 0.00 0.63 -1.26 -4.32 116.66 106.28 1p2o n ARG 17 Ca 0.16 -3.95 -0.36 0.00 -0.92 0.00 0.00 57.85 52.78 1p2o n ARG 17 Cb 0.60 -1.84 -0.10 0.00 0.45 0.00 0.00 32.46 31.58 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 -1.49 5.14 -0.08 5.15 1.01 -0.60 -4.91 121.20 125.41 1p2o s ILE 18 Ca 0.35 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.80 1p2o s ILE 18 Cb 0.11 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1p2o s ILE 18 CO -0.10 0.37 1.19 -0.63 0.00 0.00 0.00 174.94 175.78 1p2o s ILE 19 N 0.96 4.30 0.18 2.92 1.01 -1.26 0.24 121.20 129.55 1p2o s ILE 19 Ca 0.06 1.61 -0.00 0.00 0.00 0.00 0.00 60.65 62.33 1p2o s ILE 19 Cb -0.13 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1p2o s ILE 19 CO 0.03 -0.02 0.08 -0.13 0.00 0.00 0.00 174.94 174.89 1p2o s ARG 20 N 2.41 1.14 0.07 2.79 1.81 -0.75 -4.93 118.95 121.48 1p2o s ARG 20 Ca 0.55 -1.58 0.06 0.00 -1.72 0.00 0.00 55.73 53.04 1p2o s ARG 20 Cb -0.24 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 1p2o s ARG 20 CO 0.20 -0.28 -0.09 0.71 -0.68 0.00 0.00 175.30 175.16 1p2o s TYR 21 N -3.95 2.77 0.02 -0.53 1.51 0.60 -1.02 117.35 116.75 1p2o s TYR 21 Ca 0.31 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1p2o s TYR 21 Cb 0.07 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1p2o s TYR 21 CO 0.08 0.40 -0.02 -0.59 -1.11 0.00 0.00 175.55 174.30 1p2o s PHE 22 N -1.13 0.25 -0.05 2.71 -0.71 0.15 -0.19 117.98 119.01 1p2o s PHE 22 Ca 0.20 -0.51 -0.25 0.00 -1.04 0.00 0.00 56.93 55.33 1p2o s PHE 22 Cb -0.11 -0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 1p2o s PHE 22 CO 0.11 -0.20 0.77 -0.47 -1.34 0.00 0.00 175.22 174.10 1p2o s TYR 23 N -1.49 3.59 -0.48 3.49 5.04 -1.26 -0.59 117.35 125.65 1p2o s TYR 23 Ca -0.16 1.36 -0.10 0.00 -2.44 0.00 0.00 57.07 55.73 1p2o s TYR 23 Cb -0.10 -2.89 0.12 0.00 0.35 0.00 0.00 41.96 39.44 1p2o s TYR 23 CO -0.01 0.05 0.36 1.21 -1.34 0.00 0.00 175.55 175.83 1p2o s ASN 24 N 0.86 5.79 0.38 4.32 3.84 -0.15 -4.80 114.94 125.18 1p2o s ASN 24 Ca 0.41 -1.83 0.07 0.00 0.21 0.00 0.00 52.86 51.72 1p2o s ASN 24 Cb -0.19 -2.05 0.80 0.00 -0.55 0.00 0.00 41.25 39.27 1p2o s ASN 24 CO 0.20 -0.71 1.96 0.00 -2.79 0.00 0.00 177.10 175.77 1p2o h ALA 25 N 8.53 1.76 -0.68 1.71 0.00 -1.84 0.26 119.26 129.00 1p2o h ALA 25 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1p2o h ALA 25 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1p2o h ALA 25 CO 0.88 0.11 0.41 0.87 0.00 0.00 0.00 179.25 181.52 1p2o h LYS 26 N 0.68 0.93 0.00 0.00 1.57 -1.95 -2.81 116.57 114.99 1p2o h LYS 26 Ca 0.31 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1p2o h LYS 26 Cb 0.32 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1p2o h LYS 26 CO -0.10 0.65 -1.43 0.00 -0.57 0.00 0.00 179.45 178.00 1p2o n ALA 27 N -2.43 3.26 -1.83 3.86 0.00 -0.73 -4.99 120.51 117.65 1p2o n ALA 27 Ca 0.07 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 1p2o n ALA 27 Cb 0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 1.32 0.34 3.68 0.00 0.00 0.84 -5.02 105.19 106.35 1p2o n GLY 28 Ca -0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.54 -0.07 0.14 0.99 0.05 -1.15 -4.71 118.68 112.38 1p2o s LEU 29 Ca 0.00 -0.59 -0.22 0.00 0.05 0.00 0.00 54.13 53.37 1p2o s LEU 29 Cb 0.00 2.36 -0.07 0.00 -2.05 0.00 0.00 46.19 46.42 1p2o s LEU 29 CO 0.00 -1.19 0.68 0.00 -0.55 0.00 0.00 176.35 175.29 1p2o s GLN 31 N -1.28 1.17 0.34 0.00 -0.21 0.24 -4.93 119.66 115.00 1p2o s GLN 31 Ca 0.34 -1.55 -0.09 0.00 0.02 0.00 0.00 55.36 54.08 1p2o s GLN 31 Cb -0.21 -0.57 -0.06 0.00 1.00 0.00 0.00 33.01 33.17 1p2o s GLN 31 CO 0.23 -0.02 0.68 0.95 -2.12 0.00 0.00 175.29 175.00 1p2o s THR 32 N -3.41 4.86 0.19 -0.19 -4.23 -1.26 -0.67 115.64 110.92 1p2o s THR 32 Ca 0.22 0.48 -0.16 0.00 -1.18 0.00 0.00 61.69 61.05 1p2o s THR 32 Cb 0.04 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.20 1p2o s THR 32 CO 0.04 -0.37 0.48 0.72 -0.54 0.00 0.00 174.62 174.95 1p2o s PHE 33 N -2.18 -0.05 -0.25 3.99 -0.71 -0.19 -4.91 117.98 113.69 1p2o s PHE 33 Ca 0.49 -0.30 -0.16 0.00 -1.04 0.00 0.00 56.93 55.92 1p2o s PHE 33 Cb -0.10 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1p2o s PHE 33 CO 0.28 -0.88 0.43 0.08 -1.34 0.00 0.00 175.22 173.79 1p2o s VAL 34 N -3.88 5.14 -0.15 -2.49 1.01 -1.26 -1.80 120.40 116.96 1p2o s VAL 34 Ca 0.10 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 1p2o s VAL 34 Cb -0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1p2o s VAL 34 CO -0.03 0.15 0.11 -0.47 0.00 0.00 0.00 175.10 174.87 1p2o s TYR 35 N 2.01 3.45 -0.49 5.22 5.04 0.14 -4.44 117.35 128.29 1p2o s TYR 35 Ca 0.18 0.38 0.25 0.00 -2.44 0.00 0.00 57.07 55.43 1p2o s TYR 35 Cb -0.16 -2.01 0.97 0.00 0.35 0.00 0.00 41.96 41.11 1p2o s TYR 35 CO 0.09 0.50 1.74 0.78 -1.34 0.00 0.00 175.55 177.32 1p2o h GLY 36 N 5.75 0.00 0.00 8.97 0.00 -0.77 -1.60 103.07 115.42 1p2o h GLY 36 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1p2o h GLY 36 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1p2o n GLY 37 N 0.22 1.69 3.19 4.60 0.00 -1.26 -1.16 105.19 112.47 1p2o n GLY 37 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.57 -7.04 -1.85 0.00 1.74 -1.26 -4.48 116.66 104.34 1p2o n ARG 39 Ca -0.18 0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 57.29 1p2o n ARG 39 Cb 0.59 -5.77 0.02 0.00 -1.02 0.00 0.00 32.46 26.28 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 -3.36 3.16 0.77 7.54 0.00 -1.26 -4.86 121.76 123.74 1p2o s ALA 40 Ca 0.40 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.71 1p2o s ALA 40 Cb -0.18 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.51 1p2o s ALA 40 CO 0.75 -1.16 1.06 0.15 0.00 0.00 0.00 175.76 176.56 1p2o s LYS 41 N -2.51 1.52 0.44 0.00 1.02 -1.26 -5.01 119.74 113.94 1p2o s LYS 41 Ca 0.62 -0.91 0.24 0.00 0.02 0.00 0.00 55.97 55.95 1p2o s LYS 41 Cb -0.42 -2.22 0.85 0.00 -0.52 0.00 0.00 37.83 35.51 1p2o s LYS 41 CO 0.53 -1.62 1.79 0.00 -0.92 0.00 0.00 175.35 175.13 1p2o h ARG 42 N -0.75 0.00 -3.30 1.68 3.08 -1.96 -3.30 114.38 109.83 1p2o h ARG 42 Ca -0.39 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 58.92 1p2o h ARG 42 Cb 1.26 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.20 1p2o h ARG 42 CO 0.41 0.20 2.42 -1.71 -1.07 0.00 0.00 179.97 180.22 1p2o n ASN 43 N -3.30 5.95 -3.29 7.04 5.15 -1.26 -4.69 115.26 120.86 1p2o n ASN 43 Ca 0.01 -3.04 -0.05 0.00 -0.60 0.00 0.00 54.58 50.89 1p2o n ASN 43 Cb 0.45 -1.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.17 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 1.13 -0.22 0.15 1.20 3.84 -1.25 -4.53 114.94 115.26 1p2o s ASN 44 Ca 0.46 0.30 0.10 0.00 0.21 0.00 0.00 52.86 53.93 1p2o s ASN 44 Cb 0.13 1.42 -0.04 0.00 -0.55 0.00 0.00 41.25 42.21 1p2o s ASN 44 CO -0.04 -0.30 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.39 1p2o s PHE 45 N 2.64 2.08 -0.88 0.43 0.40 0.73 -4.92 117.98 118.46 1p2o s PHE 45 Ca 0.14 -0.40 0.27 0.00 -0.60 0.00 0.00 56.93 56.34 1p2o s PHE 45 Cb -0.15 -1.08 0.93 0.00 0.51 0.00 0.00 43.02 43.23 1p2o s PHE 45 CO -0.20 0.35 1.77 1.63 0.70 0.00 0.00 175.22 179.47 1p2o n LYS 46 N 0.64 0.11 -3.83 0.44 5.02 -1.26 -0.29 118.16 119.00 1p2o n LYS 46 Ca -0.16 0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1p2o n LYS 46 Cb 0.55 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1p2o n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2o s SER 47 N -3.62 -0.02 0.31 4.39 1.04 -1.26 -4.86 113.70 109.67 1p2o s SER 47 Ca 0.12 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1p2o s SER 47 Cb 0.16 0.28 0.49 0.00 0.10 0.00 0.00 66.02 67.05 1p2o s SER 47 CO 0.59 -0.49 1.91 0.00 0.98 0.00 0.00 173.24 176.23 1p2o h ALA 48 N 3.73 1.36 -0.20 5.32 0.00 -1.97 -2.51 119.26 124.99 1p2o h ALA 48 Ca -0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1p2o h ALA 48 Cb 1.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1p2o h ALA 48 CO 0.44 0.50 0.09 1.49 0.00 0.00 0.00 179.25 181.77 1p2o h GLU 49 N 0.86 0.30 -0.54 0.00 4.81 -1.99 0.20 114.58 118.21 1p2o h GLU 49 Ca 0.21 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1p2o h GLU 49 Cb 0.10 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1p2o h GLU 49 CO -0.03 0.34 0.29 -0.44 -0.73 0.00 0.00 179.01 178.44 1p2o h ASP 50 N 0.18 0.43 -0.22 1.04 5.19 -1.93 -0.66 116.42 120.45 1p2o h ASP 50 Ca 0.07 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1p2o h ASP 50 Cb 0.15 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1p2o h ASP 50 CO -0.01 0.29 0.12 0.00 -3.12 0.00 0.00 179.24 176.52 1p2o h LEU 52 N 0.24 0.82 -1.17 0.00 3.38 -0.67 0.25 115.31 118.17 1p2o h LEU 52 Ca 0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1p2o h LEU 52 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1p2o h LEU 52 CO -0.01 0.85 -0.36 0.03 0.09 0.00 0.00 178.44 179.04 1p2o h ARG 53 N 0.81 0.00 0.05 1.13 3.08 -0.96 0.89 114.38 119.38 1p2o h ARG 53 Ca 0.17 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.85 1p2o h ARG 53 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1p2o h ARG 53 CO 0.01 0.36 -2.19 2.41 -1.07 0.00 0.00 179.97 179.49 1p2o n THR 54 N -3.73 1.61 0.21 2.04 -1.04 -0.68 -4.67 114.28 108.02 1p2o n THR 54 Ca -0.01 -0.66 0.02 0.00 -2.04 0.00 0.00 64.05 61.36 1p2o n THR 54 Cb 0.45 -1.39 -0.01 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.89 0.79 1.29 0.00 0.00 0.31 -1.28 105.19 107.18 1p2o n GLY 56 Ca 0.01 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 3.45 1.06 0.00 -0.02 0.00 -1.26 -4.97 105.19 103.45 1p2o n GLY 57 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1p2o n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32