#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9pti n PRO 2 N 0.00 1.65 0.27 2.89 -0.02 -1.26 -4.86 135.00 133.66 9pti n PRO 2 Ca 0.00 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 9pti n PRO 2 Cb 0.00 -2.52 0.73 0.00 -0.02 0.00 0.00 33.50 31.68 9pti n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 9pti h ASP 3 N 1.41 0.00 0.71 2.55 2.03 -2.02 -1.25 116.42 119.85 9pti h ASP 3 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 9pti h ASP 3 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 9pti h ASP 3 CO 0.57 0.04 0.00 2.19 -1.03 0.00 0.00 179.24 181.01 9pti h PHE 4 N 0.00 0.00 0.00 4.15 -5.15 -1.99 -2.09 116.94 111.86 9pti h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 9pti h PHE 4 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 9pti h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 9pti n LEU 6 N -2.63 0.64 -4.83 0.00 4.77 -0.79 -4.40 117.00 109.76 9pti n LEU 6 Ca 0.00 -0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.57 9pti n LEU 6 Cb 0.21 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 9pti n LEU 6 CO 0.21 0.15 0.62 -1.61 -1.33 0.00 0.00 177.39 175.42 9pti s GLU 7 N -2.90 4.17 0.72 3.23 0.41 -0.70 -4.92 118.70 118.70 9pti s GLU 7 Ca 0.13 1.03 -0.14 0.00 -0.41 0.00 0.00 54.97 55.59 9pti s GLU 7 Cb 0.18 -2.21 0.03 0.00 -1.78 0.00 0.00 34.13 30.35 9pti s GLU 7 CO 0.67 -0.03 1.14 -1.25 -0.49 0.00 0.00 175.26 175.30 9pti s PRO 8 N -3.25 2.39 0.52 0.39 0.04 -1.26 -4.92 135.00 128.90 9pti s PRO 8 Ca 0.60 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 9pti s PRO 8 Cb -0.09 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 9pti s PRO 8 CO 0.16 -1.59 1.27 -1.25 0.04 0.00 0.00 177.00 175.63 9pti s PRO 9 N -4.20 3.37 -0.24 0.56 0.04 -1.26 -4.95 135.00 128.32 9pti s PRO 9 Ca 0.68 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.76 9pti s PRO 9 Cb -0.23 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.08 9pti s PRO 9 CO 0.46 -0.94 -0.06 -0.47 0.04 0.00 0.00 177.00 176.03 9pti s TYR 10 N -1.42 2.57 0.14 0.56 5.04 -1.26 -4.98 117.35 118.00 9pti s TYR 10 Ca 0.69 -1.88 -0.12 0.00 -2.44 0.00 0.00 57.07 53.32 9pti s TYR 10 Cb -0.35 -1.66 -0.04 0.00 0.35 0.00 0.00 41.96 40.26 9pti s TYR 10 CO 0.41 -0.80 1.48 1.15 -1.34 0.00 0.00 175.55 176.45 9pti h THR 11 N 6.69 1.28 0.00 4.34 2.02 -1.95 -3.44 112.91 121.84 9pti h THR 11 Ca -0.18 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.49 9pti h THR 11 Cb 1.06 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 9pti h THR 11 CO 0.42 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.43 9pti n GLY 12 N 0.10 -0.72 0.16 2.16 0.00 -1.26 -0.37 105.19 105.26 9pti n GLY 12 Ca -0.02 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.41 9pti n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 9pti n PRO 13 N -0.72 0.72 -2.19 1.61 -0.04 -1.26 -4.74 135.00 128.38 9pti n PRO 13 Ca 0.00 -0.33 -0.29 0.00 -0.04 0.00 0.00 63.50 62.85 9pti n PRO 13 Cb 0.00 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 9pti n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 9pti n LYS 15 N -2.65 3.67 -1.67 0.00 4.76 -1.11 -4.41 118.16 116.75 9pti n LYS 15 Ca 0.05 -2.84 -0.29 0.00 -2.87 0.00 0.00 58.31 52.35 9pti n LYS 15 Cb 0.56 -1.86 0.15 0.00 -1.84 0.00 0.00 35.03 32.04 9pti n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 9pti s ALA 16 N -1.94 1.96 -0.46 7.82 0.00 0.42 -5.04 121.76 124.53 9pti s ALA 16 Ca 0.48 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.67 9pti s ALA 16 Cb 0.32 -2.93 0.14 0.00 0.00 0.00 0.00 23.12 20.65 9pti s ALA 16 CO 0.22 -2.35 0.26 1.03 0.00 0.00 0.00 175.76 174.92 9pti s ARG 17 N -5.53 1.36 -0.23 0.00 0.52 -1.26 -4.17 118.95 109.64 9pti s ARG 17 Ca 0.67 -2.11 -0.04 0.00 -0.52 0.00 0.00 55.73 53.72 9pti s ARG 17 Cb -0.10 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 9pti s ARG 17 CO 0.53 -1.18 -0.02 0.42 0.02 0.00 0.00 175.30 175.06 9pti s ILE 18 N 0.20 3.53 -0.13 1.52 1.01 -0.51 -4.94 121.20 121.88 9pti s ILE 18 Ca 0.19 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 9pti s ILE 18 Cb -0.21 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 9pti s ILE 18 CO -0.02 0.41 0.95 -0.63 0.00 0.00 0.00 174.94 175.65 9pti s ILE 19 N 1.50 4.81 0.25 2.92 -1.09 -1.26 -0.01 121.20 128.32 9pti s ILE 19 Ca 0.06 1.91 0.04 0.00 -2.23 0.00 0.00 60.65 60.43 9pti s ILE 19 Cb -0.14 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 9pti s ILE 19 CO -0.02 0.01 -0.01 -0.13 -1.23 0.00 0.00 174.94 173.56 9pti s ARG 20 N 2.09 1.40 0.09 2.79 1.81 -0.14 -4.96 118.95 122.03 9pti s ARG 20 Ca 0.45 -1.72 0.00 0.00 -1.72 0.00 0.00 55.73 52.74 9pti s ARG 20 Cb -0.18 -0.73 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 9pti s ARG 20 CO 0.16 -0.08 0.25 0.71 -0.68 0.00 0.00 175.30 175.65 9pti s TYR 21 N -3.34 3.51 0.05 -0.53 2.02 0.17 -0.57 117.35 118.65 9pti s TYR 21 Ca 0.29 0.25 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 9pti s TYR 21 Cb 0.06 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 9pti s TYR 21 CO 0.10 0.55 -0.05 -0.59 -1.57 0.00 0.00 175.55 173.99 9pti s PHE 22 N -1.59 0.59 -0.22 2.71 -0.71 0.27 -0.69 117.98 118.34 9pti s PHE 22 Ca 0.35 -0.80 -0.22 0.00 -1.04 0.00 0.00 56.93 55.22 9pti s PHE 22 Cb -0.12 -0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.29 9pti s PHE 22 CO 0.28 -0.22 0.71 -0.47 -1.34 0.00 0.00 175.22 174.18 9pti s TYR 23 N -2.82 3.34 -0.59 3.49 5.04 -1.26 -0.84 117.35 123.71 9pti s TYR 23 Ca -0.00 1.00 -0.19 0.00 -2.44 0.00 0.00 57.07 55.44 9pti s TYR 23 Cb -0.00 -2.90 0.11 0.00 0.35 0.00 0.00 41.96 39.51 9pti s TYR 23 CO -0.05 -0.28 0.68 1.21 -1.34 0.00 0.00 175.55 175.78 9pti s ASN 24 N 1.30 6.18 0.55 4.32 3.84 -0.20 -4.83 114.94 126.11 9pti s ASN 24 Ca 0.31 -1.47 0.34 0.00 0.21 0.00 0.00 52.86 52.25 9pti s ASN 24 Cb -0.16 -2.29 1.48 0.00 -0.55 0.00 0.00 41.25 39.73 9pti s ASN 24 CO 0.09 -1.09 2.03 0.00 -2.79 0.00 0.00 177.10 175.34 9pti h ALA 25 N 9.16 1.02 -0.14 1.71 0.00 -1.84 0.24 119.26 129.42 9pti h ALA 25 Ca -0.30 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 9pti h ALA 25 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 9pti h ALA 25 CO 1.10 0.04 -0.75 -0.22 0.00 0.00 0.00 179.25 179.42 9pti h LYS 26 N 0.00 0.67 0.00 0.00 3.64 -1.95 -3.29 116.57 115.65 9pti h LYS 26 Ca -0.00 -0.54 -0.05 0.00 -1.27 0.00 0.00 60.65 58.79 9pti h LYS 26 Cb 0.45 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 9pti h LYS 26 CO 0.00 1.16 -1.03 0.00 -2.27 0.00 0.00 179.45 177.31 9pti h ALA 27 N 0.69 0.58 -0.78 5.00 0.00 -1.86 -3.48 119.26 119.42 9pti h ALA 27 Ca -0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 9pti h ALA 27 Cb 1.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 9pti h ALA 27 CO 0.15 0.28 -0.17 0.41 0.00 0.00 0.00 179.25 179.92 9pti n GLY 28 N 1.24 0.44 3.06 0.00 0.00 0.81 -5.03 105.19 105.72 9pti n GLY 28 Ca -0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 9pti n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 9pti s LEU 29 N -1.98 2.23 0.04 0.99 1.43 -1.14 -4.96 118.68 115.28 9pti s LEU 29 Ca 0.00 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.11 9pti s LEU 29 Cb 0.00 0.28 -0.05 0.00 0.03 0.00 0.00 46.19 46.45 9pti s LEU 29 CO 0.00 -0.49 0.81 0.00 0.23 0.00 0.00 176.35 176.90 9pti s GLN 31 N 0.16 1.31 0.32 0.00 -0.21 -0.02 -4.93 119.66 116.29 9pti s GLN 31 Ca 0.41 -1.65 -0.03 0.00 0.02 0.00 0.00 55.36 54.11 9pti s GLN 31 Cb -0.21 -0.67 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 9pti s GLN 31 CO 0.24 -0.05 0.56 0.95 -2.12 0.00 0.00 175.29 174.86 9pti s THR 32 N -3.36 5.05 0.19 -0.19 -4.23 -1.26 -0.57 115.64 111.27 9pti s THR 32 Ca 0.27 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.55 9pti s THR 32 Cb 0.05 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 9pti s THR 32 CO 0.08 -0.43 0.38 0.72 -0.54 0.00 0.00 174.62 174.83 9pti s PHE 33 N -2.20 0.30 -0.31 3.99 -0.71 0.26 -4.88 117.98 114.44 9pti s PHE 33 Ca 0.43 -0.65 -0.16 0.00 -1.04 0.00 0.00 56.93 55.51 9pti s PHE 33 Cb -0.10 0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 9pti s PHE 33 CO 0.33 -0.83 0.40 0.08 -1.34 0.00 0.00 175.22 173.86 9pti s VAL 34 N -3.96 5.14 -0.13 -2.49 1.01 -1.26 -0.97 120.40 117.74 9pti s VAL 34 Ca 0.17 0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 9pti s VAL 34 Cb 0.02 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 9pti s VAL 34 CO 0.02 0.01 0.19 -0.47 0.00 0.00 0.00 175.10 174.85 9pti s TYR 35 N 2.12 3.55 -1.33 5.22 5.04 0.99 -4.38 117.35 128.56 9pti s TYR 35 Ca 0.15 0.55 0.30 0.00 -2.44 0.00 0.00 57.07 55.62 9pti s TYR 35 Cb -0.16 -2.08 1.44 0.00 0.35 0.00 0.00 41.96 41.50 9pti s TYR 35 CO 0.11 0.56 2.01 0.41 -1.34 0.00 0.00 175.55 177.30 9pti n GLY 36 N 2.49 -1.32 0.00 8.97 0.00 0.50 -1.43 105.19 114.41 9pti n GLY 36 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.71 9pti n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9pti n GLY 37 N 1.34 0.46 3.18 -0.02 0.00 -1.26 -0.44 105.19 108.45 9pti n GLY 37 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 9pti n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9pti n ARG 39 N 0.40 -5.39 -1.66 0.00 1.74 -1.26 -4.49 116.66 106.00 9pti n ARG 39 Ca -0.17 0.69 -0.38 0.00 -0.77 0.00 0.00 57.85 57.21 9pti n ARG 39 Cb 0.60 -5.19 0.05 0.00 -1.02 0.00 0.00 32.46 26.89 9pti n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 9pti n ALA 40 N -3.99 0.60 -3.16 7.54 0.00 -1.26 -4.88 120.51 115.36 9pti n ALA 40 Ca -0.03 0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 9pti n ALA 40 Cb 0.57 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.89 9pti n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 9pti n LYS 41 N -0.95 0.61 0.09 0.00 5.02 -1.26 -5.05 118.16 116.61 9pti n LYS 41 Ca 0.13 -3.19 -0.07 0.00 -2.02 0.00 0.00 58.31 53.15 9pti n LYS 41 Cb 0.46 -0.16 0.04 0.00 -0.02 0.00 0.00 35.03 35.35 9pti n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 9pti h ARG 42 N 0.00 0.18 -3.77 1.97 3.08 -1.96 -3.34 114.38 110.54 9pti h ARG 42 Ca -0.28 -0.17 -0.71 0.00 0.07 0.00 0.00 59.98 58.88 9pti h ARG 42 Cb 1.26 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.31 9pti h ARG 42 CO 0.41 0.88 3.07 -1.71 -1.07 0.00 0.00 179.97 181.55 9pti n ASN 43 N -3.71 4.75 -3.27 7.04 5.15 -1.26 -4.70 115.26 119.25 9pti n ASN 43 Ca -0.03 -2.85 0.02 0.00 -0.60 0.00 0.00 54.58 51.12 9pti n ASN 43 Cb 0.75 -1.62 -0.02 0.00 -0.53 0.00 0.00 39.78 38.36 9pti n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 9pti s ASN 44 N 2.69 -1.16 0.09 1.20 3.84 -1.25 -4.63 114.94 115.71 9pti s ASN 44 Ca 0.49 0.94 0.06 0.00 0.21 0.00 0.00 52.86 54.56 9pti s ASN 44 Cb 0.14 2.07 -0.03 0.00 -0.55 0.00 0.00 41.25 42.88 9pti s ASN 44 CO -0.07 -0.26 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.46 9pti s PHE 45 N 2.83 1.38 -0.65 0.43 0.40 0.14 -4.96 117.98 117.54 9pti s PHE 45 Ca 0.15 -0.47 0.25 0.00 -0.60 0.00 0.00 56.93 56.26 9pti s PHE 45 Cb -0.14 -0.76 0.51 0.00 0.51 0.00 0.00 43.02 43.14 9pti s PHE 45 CO -0.20 0.11 1.50 0.87 0.70 0.00 0.00 175.22 178.20 9pti h LYS 46 N 4.09 0.00 -4.10 0.44 1.57 -1.95 0.50 116.57 117.13 9pti h LYS 46 Ca -0.42 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 9pti h LYS 46 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 9pti h LYS 46 CO 0.42 0.00 -0.69 -1.54 -0.57 0.00 0.00 179.45 177.07 9pti s SER 47 N -4.47 0.36 0.30 0.86 1.04 -1.26 -4.81 113.70 105.71 9pti s SER 47 Ca 0.08 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.79 9pti s SER 47 Cb 0.12 0.15 0.46 0.00 0.10 0.00 0.00 66.02 66.85 9pti s SER 47 CO 0.67 -0.44 1.79 0.00 0.98 0.00 0.00 173.24 176.25 9pti h ALA 48 N 3.96 1.20 -0.41 5.32 0.00 -1.98 -1.88 119.26 125.47 9pti h ALA 48 Ca -0.33 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 9pti h ALA 48 Cb 1.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 9pti h ALA 48 CO 0.53 0.52 -0.25 1.05 0.00 0.00 0.00 179.25 181.09 9pti h GLU 49 N 0.55 0.86 -0.41 0.00 4.11 -2.00 -2.86 114.58 114.83 9pti h GLU 49 Ca 0.10 -0.37 -0.08 0.00 0.07 0.00 0.00 59.36 59.08 9pti h GLU 49 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 9pti h GLU 49 CO 0.03 1.01 -0.06 0.22 0.07 0.00 0.00 179.01 180.28 9pti h ASP 50 N 0.74 0.77 0.00 3.06 3.58 -1.94 -0.52 116.42 122.11 9pti h ASP 50 Ca 0.09 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.20 9pti h ASP 50 Cb 0.80 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.64 9pti h ASP 50 CO 0.07 0.93 0.00 0.00 -2.88 0.00 0.00 179.24 177.35 9pti n ARG 53 N 0.07 0.00 0.03 0.00 0.63 -0.20 -0.65 116.66 116.54 9pti n ARG 53 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 9pti n ARG 53 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 9pti n ARG 53 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 9pti h THR 54 N 0.00 1.47 -0.00 5.15 2.02 -1.42 -3.40 112.91 116.72 9pti h THR 54 Ca 0.00 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.88 9pti h THR 54 Cb 0.00 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 9pti h THR 54 CO 0.00 0.66 -0.35 0.00 0.37 0.00 0.00 175.52 176.20 9pti s GLY 56 N -1.69 1.63 0.00 0.00 0.00 -1.25 -4.92 107.32 101.09 9pti s GLY 56 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.23 9pti s GLY 56 CO 0.33 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.63 9pti n GLY 57 N -1.67 1.37 0.00 0.20 0.00 -1.26 -4.91 105.19 98.92 9pti n GLY 57 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.64 9pti n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32