#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0c n PRO 2 N 0.00 1.34 -0.11 -0.14 -0.02 -1.26 -4.93 135.00 129.88 1b0c n PRO 2 Ca 0.00 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1b0c n PRO 2 Cb 0.00 -2.35 0.35 0.00 -0.02 0.00 0.00 33.50 31.49 1b0c n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1b0c h ASP 3 N 1.08 0.64 0.13 2.55 3.04 -2.03 -2.60 116.42 119.23 1b0c h ASP 3 Ca -0.49 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 1b0c h ASP 3 Cb 1.33 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1b0c h ASP 3 CO 0.55 0.46 0.00 2.19 -2.04 0.00 0.00 179.24 180.39 1b0c h PHE 4 N 0.75 0.00 0.00 4.15 -5.15 -1.99 -1.83 116.94 112.87 1b0c h PHE 4 Ca 0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.99 1b0c h PHE 4 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.14 1b0c h PHE 4 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1b0c n LEU 6 N -1.75 1.47 -4.77 0.00 4.77 -0.69 -4.49 117.00 111.54 1b0c n LEU 6 Ca 0.02 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.15 1b0c n LEU 6 Cb 0.15 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1b0c n LEU 6 CO 0.13 0.29 0.76 -1.61 -1.33 0.00 0.00 177.39 175.62 1b0c s GLU 7 N -2.60 3.09 0.47 3.23 2.02 -0.85 -4.94 118.70 119.13 1b0c s GLU 7 Ca 0.18 1.47 -0.15 0.00 0.02 0.00 0.00 54.97 56.50 1b0c s GLU 7 Cb 0.18 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.35 1b0c s GLU 7 CO 0.61 -1.03 0.91 -2.14 0.02 0.00 0.00 175.26 173.63 1b0c s PRO 8 N -3.73 3.90 0.31 0.39 0.02 -1.26 -4.90 135.00 129.74 1b0c s PRO 8 Ca 0.69 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.22 1b0c s PRO 8 Cb -0.22 -2.22 -0.11 0.00 0.02 0.00 0.00 34.50 31.97 1b0c s PRO 8 CO 0.34 -0.18 1.55 -1.25 -0.33 0.00 0.00 177.00 177.13 1b0c s PRO 9 N -3.96 4.13 -0.28 5.54 0.04 -1.26 -4.97 135.00 134.24 1b0c s PRO 9 Ca 0.56 2.55 0.01 0.00 0.04 0.00 0.00 61.00 64.16 1b0c s PRO 9 Cb -0.10 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.48 1b0c s PRO 9 CO 0.31 -0.58 -0.06 -0.47 0.04 0.00 0.00 177.00 176.24 1b0c s TYR 10 N -0.32 3.29 0.10 0.56 5.04 -1.26 -5.00 117.35 119.76 1b0c s TYR 10 Ca 0.60 -2.17 -0.15 0.00 -2.44 0.00 0.00 57.07 52.91 1b0c s TYR 10 Cb -0.47 -2.05 -0.08 0.00 0.35 0.00 0.00 41.96 39.71 1b0c s TYR 10 CO 0.52 -0.85 1.42 1.15 -1.34 0.00 0.00 175.55 176.45 1b0c h THR 11 N 6.64 1.30 0.00 4.34 2.02 -1.95 -3.43 112.91 121.83 1b0c h THR 11 Ca -0.19 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1b0c h THR 11 Cb 1.05 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1b0c h THR 11 CO 0.49 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.46 1b0c n GLY 12 N 0.15 -0.25 0.00 2.16 0.00 -1.26 -0.31 105.19 105.68 1b0c n GLY 12 Ca -0.04 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.35 1b0c n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b0c n PRO 13 N -0.18 0.18 -2.22 1.61 -0.04 -1.26 -4.67 135.00 128.42 1b0c n PRO 13 Ca 0.00 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1b0c n PRO 13 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1b0c n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b0c h LYS 15 N 0.39 0.00 -7.26 0.00 2.10 -1.92 -3.40 116.57 106.48 1b0c h LYS 15 Ca -0.46 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.69 1b0c h LYS 15 Cb 1.19 0.00 0.19 0.00 -0.90 0.00 0.00 32.23 32.71 1b0c h LYS 15 CO 0.62 0.00 0.20 0.00 -2.00 0.00 0.00 179.45 178.27 1b0c s ALA 16 N -3.24 1.26 -0.53 0.07 0.00 -0.12 -4.99 121.76 114.20 1b0c s ALA 16 Ca 0.07 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.56 1b0c s ALA 16 Cb 0.07 -3.41 0.22 0.00 0.00 0.00 0.00 23.12 20.01 1b0c s ALA 16 CO 0.62 -2.84 0.57 0.54 0.00 0.00 0.00 175.76 174.65 1b0c n ARG 17 N -4.28 1.47 -3.83 0.00 1.74 -1.26 -4.06 116.66 106.44 1b0c n ARG 17 Ca 0.10 -3.94 -0.36 0.00 -0.77 0.00 0.00 57.85 52.88 1b0c n ARG 17 Cb 0.52 -1.83 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1b0c n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1b0c s ILE 18 N -1.50 5.43 -0.10 0.55 -1.09 -0.86 -4.91 121.20 118.71 1b0c s ILE 18 Ca 0.35 0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.75 1b0c s ILE 18 Cb 0.11 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1b0c s ILE 18 CO -0.10 0.55 0.75 -0.63 -1.23 0.00 0.00 174.94 174.29 1b0c s ILE 19 N -1.10 4.99 0.18 2.92 -1.09 -1.26 -0.24 121.20 125.59 1b0c s ILE 19 Ca 0.19 1.52 0.03 0.00 -2.23 0.00 0.00 60.65 60.15 1b0c s ILE 19 Cb -0.13 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1b0c s ILE 19 CO 0.08 0.17 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.81 1b0c s ARG 20 N 1.28 1.14 0.06 2.79 1.81 -0.47 -4.93 118.95 120.63 1b0c s ARG 20 Ca 0.38 -1.54 0.05 0.00 -1.72 0.00 0.00 55.73 52.90 1b0c s ARG 20 Cb -0.17 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 1b0c s ARG 20 CO 0.17 -0.09 -0.06 0.71 -0.68 0.00 0.00 175.30 175.35 1b0c s TYR 21 N -3.56 2.86 0.03 -0.53 2.02 0.02 -1.07 117.35 117.13 1b0c s TYR 21 Ca 0.23 -0.08 -0.00 0.00 -0.37 0.00 0.00 57.07 56.85 1b0c s TYR 21 Cb 0.05 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1b0c s TYR 21 CO 0.04 0.42 -0.03 -0.59 -1.57 0.00 0.00 175.55 173.82 1b0c s PHE 22 N -1.16 0.38 -0.15 2.71 -0.71 -0.26 -0.54 117.98 118.25 1b0c s PHE 22 Ca 0.21 -0.69 -0.23 0.00 -1.04 0.00 0.00 56.93 55.18 1b0c s PHE 22 Cb -0.11 -0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 1b0c s PHE 22 CO 0.13 -0.23 0.72 -0.47 -1.34 0.00 0.00 175.22 174.02 1b0c s TYR 23 N -2.20 3.45 -0.53 3.49 5.04 -1.26 -0.91 117.35 124.43 1b0c s TYR 23 Ca -0.08 1.14 -0.16 0.00 -2.44 0.00 0.00 57.07 55.52 1b0c s TYR 23 Cb -0.05 -2.88 0.12 0.00 0.35 0.00 0.00 41.96 39.51 1b0c s TYR 23 CO -0.04 -0.12 0.48 1.21 -1.34 0.00 0.00 175.55 175.74 1b0c s ASN 24 N 1.07 6.17 0.21 4.32 3.04 -0.56 -4.78 114.94 124.41 1b0c s ASN 24 Ca 0.35 -1.71 -0.09 0.00 0.04 0.00 0.00 52.86 51.44 1b0c s ASN 24 Cb -0.17 -2.20 0.26 0.00 -1.54 0.00 0.00 41.25 37.60 1b0c s ASN 24 CO 0.13 -0.82 1.79 0.00 -3.04 0.00 0.00 177.10 175.16 1b0c h ALA 25 N 8.86 0.87 -0.79 1.71 0.00 -1.85 0.90 119.26 128.95 1b0c h ALA 25 Ca -0.30 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1b0c h ALA 25 Cb 1.10 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1b0c h ALA 25 CO 1.01 -0.04 0.49 1.57 0.00 0.00 0.00 179.25 182.28 1b0c h LYS 26 N 0.59 1.06 0.00 0.00 2.10 -1.95 -2.84 116.57 115.53 1b0c h LYS 26 Ca 0.30 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.86 1b0c h LYS 26 Cb 0.26 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1b0c h LYS 26 CO -0.22 0.74 -0.46 0.00 -2.00 0.00 0.00 179.45 177.51 1b0c h ALA 27 N 1.27 0.78 0.00 0.07 0.00 -1.90 -3.48 119.26 116.00 1b0c h ALA 27 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1b0c h ALA 27 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1b0c h ALA 27 CO -0.06 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1b0c n GLY 28 N 1.14 0.49 3.64 0.00 0.00 0.28 -5.03 105.19 105.71 1b0c n GLY 28 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1b0c n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1b0c s LEU 29 N 0.00 0.21 0.18 0.99 0.05 -1.18 -5.00 118.68 113.93 1b0c s LEU 29 Ca 0.00 -0.86 -0.28 0.00 0.05 0.00 0.00 54.13 53.05 1b0c s LEU 29 Cb 0.00 1.95 -0.08 0.00 -2.05 0.00 0.00 46.19 46.01 1b0c s LEU 29 CO 0.00 -1.17 0.86 0.00 -0.55 0.00 0.00 176.35 175.48 1b0c s GLN 31 N -0.94 1.72 0.28 0.00 -0.21 -0.09 -4.92 119.66 115.50 1b0c s GLN 31 Ca 0.39 -1.98 -0.02 0.00 0.02 0.00 0.00 55.36 53.77 1b0c s GLN 31 Cb -0.24 -0.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 1b0c s GLN 31 CO 0.29 -0.26 0.50 0.95 -2.12 0.00 0.00 175.29 174.65 1b0c s THR 32 N -3.28 5.10 0.13 -0.19 -4.23 -1.26 -1.10 115.64 110.81 1b0c s THR 32 Ca 0.33 -0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 1b0c s THR 32 Cb 0.07 -3.77 0.06 0.00 1.34 0.00 0.00 72.50 70.20 1b0c s THR 32 CO 0.15 -0.34 0.56 0.72 -0.54 0.00 0.00 174.62 175.17 1b0c s PHE 33 N -2.08 -0.48 -0.29 3.99 -0.71 -0.23 -4.89 117.98 113.28 1b0c s PHE 33 Ca 0.41 0.32 -0.19 0.00 -1.04 0.00 0.00 56.93 56.43 1b0c s PHE 33 Cb -0.10 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1b0c s PHE 33 CO 0.31 -0.79 0.55 0.08 -1.34 0.00 0.00 175.22 174.03 1b0c s VAL 34 N -3.48 5.02 -0.14 -2.49 1.01 -1.26 -1.37 120.40 117.68 1b0c s VAL 34 Ca 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 1b0c s VAL 34 Cb -0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1b0c s VAL 34 CO -0.10 -0.02 0.30 -0.47 0.00 0.00 0.00 175.10 174.80 1b0c s TYR 35 N 2.42 3.49 0.27 5.22 5.04 0.66 -4.42 117.35 130.04 1b0c s TYR 35 Ca 0.22 0.63 0.20 0.00 -2.44 0.00 0.00 57.07 55.68 1b0c s TYR 35 Cb -0.15 -2.31 0.90 0.00 0.35 0.00 0.00 41.96 40.74 1b0c s TYR 35 CO 0.10 0.31 1.84 0.78 -1.34 0.00 0.00 175.55 177.25 1b0c h GLY 36 N 6.38 0.00 0.00 8.97 0.00 -0.81 -2.30 103.07 115.32 1b0c h GLY 36 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1b0c h GLY 36 CO 0.73 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.88 1b0c n GLY 37 N -0.16 1.53 3.25 4.60 0.00 -1.26 -0.94 105.19 112.20 1b0c n GLY 37 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1b0c n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0c n ARG 39 N 0.46 -3.24 -2.51 0.00 1.74 -1.26 -4.52 116.66 107.33 1b0c n ARG 39 Ca -0.18 0.68 -0.33 0.00 -0.77 0.00 0.00 57.85 57.25 1b0c n ARG 39 Cb 0.60 -5.19 -0.04 0.00 -1.02 0.00 0.00 32.46 26.81 1b0c n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b0c s ALA 40 N -3.49 2.95 0.58 7.54 0.00 -1.26 -4.80 121.76 123.28 1b0c s ALA 40 Ca 0.28 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1b0c s ALA 40 Cb -0.06 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 19.97 1b0c s ALA 40 CO 0.79 -0.24 0.73 1.63 0.00 0.00 0.00 175.76 178.67 1b0c n LYS 41 N -1.19 0.32 0.01 0.00 4.76 -1.26 -5.03 118.16 115.77 1b0c n LYS 41 Ca 0.08 -2.32 -0.07 0.00 -2.87 0.00 0.00 58.31 53.12 1b0c n LYS 41 Cb 0.53 -0.38 0.10 0.00 -1.84 0.00 0.00 35.03 33.45 1b0c n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b0c h ARG 42 N 0.00 0.51 -4.44 1.97 3.08 -1.98 -3.34 114.38 110.18 1b0c h ARG 42 Ca -0.24 -0.28 -0.71 0.00 0.07 0.00 0.00 59.98 58.82 1b0c h ARG 42 Cb 0.99 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.98 1b0c h ARG 42 CO 0.30 0.86 2.61 -1.71 -1.07 0.00 0.00 179.97 180.96 1b0c n ASN 43 N -4.00 4.42 -3.16 7.04 5.15 -1.26 -4.71 115.26 118.74 1b0c n ASN 43 Ca -0.02 -2.91 0.03 0.00 -0.60 0.00 0.00 54.58 51.08 1b0c n ASN 43 Cb 0.54 -1.65 -0.01 0.00 -0.53 0.00 0.00 39.78 38.13 1b0c n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1b0c s ASN 44 N 3.07 -1.32 -0.04 1.20 3.84 -1.25 -4.66 114.94 115.78 1b0c s ASN 44 Ca 0.47 0.79 0.07 0.00 0.21 0.00 0.00 52.86 54.40 1b0c s ASN 44 Cb 0.10 2.10 -0.01 0.00 -0.55 0.00 0.00 41.25 42.89 1b0c s ASN 44 CO -0.03 -0.27 -0.24 -0.36 -2.79 0.00 0.00 177.10 173.41 1b0c s PHE 45 N 2.84 2.31 0.09 0.43 0.40 0.29 -4.94 117.98 119.40 1b0c s PHE 45 Ca 0.20 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 1b0c s PHE 45 Cb -0.15 -1.51 -0.21 0.00 0.51 0.00 0.00 43.02 41.67 1b0c s PHE 45 CO -0.21 -0.15 1.20 -0.22 0.70 0.00 0.00 175.22 176.54 1b0c h LYS 46 N 5.87 0.58 -5.50 0.44 3.64 -1.92 0.11 116.57 119.78 1b0c h LYS 46 Ca -0.36 -0.67 -0.64 0.00 -1.27 0.00 0.00 60.65 57.71 1b0c h LYS 46 Cb 1.16 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 33.03 1b0c h LYS 46 CO 0.47 1.27 -0.57 0.45 -2.27 0.00 0.00 179.45 178.80 1b0c s SER 47 N -7.26 5.58 0.24 4.20 0.15 -1.26 -4.76 113.70 110.59 1b0c s SER 47 Ca -0.08 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 1b0c s SER 47 Cb 0.07 -1.85 0.28 0.00 -1.71 0.00 0.00 66.02 62.81 1b0c s SER 47 CO 0.91 0.26 1.65 0.00 1.20 0.00 0.00 173.24 177.25 1b0c h ALA 48 N 6.09 0.95 -0.15 5.45 0.00 -1.98 -2.57 119.26 127.04 1b0c h ALA 48 Ca -0.42 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.13 1b0c h ALA 48 Cb 1.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1b0c h ALA 48 CO 0.64 0.61 -0.04 1.49 0.00 0.00 0.00 179.25 181.96 1b0c h GLU 49 N 0.49 -0.00 -0.55 0.00 4.81 -1.99 -1.64 114.58 115.70 1b0c h GLU 49 Ca 0.06 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1b0c h GLU 49 Cb 0.79 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 1b0c h GLU 49 CO 0.06 -0.00 0.29 -0.44 -0.73 0.00 0.00 179.01 178.19 1b0c h ASP 50 N -0.00 0.43 -0.23 1.04 3.32 -1.96 -1.65 116.42 117.38 1b0c h ASP 50 Ca 0.07 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1b0c h ASP 50 Cb 0.11 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1b0c h ASP 50 CO -0.16 0.29 0.07 0.00 -1.72 0.00 0.00 179.24 177.73 1b0c h MET 52 N 0.18 0.00 0.19 0.00 2.86 -0.96 -1.10 114.93 116.09 1b0c h MET 52 Ca 0.10 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.42 1b0c h MET 52 Cb 0.07 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.76 1b0c h MET 52 CO -0.10 0.41 -1.36 -0.09 1.06 0.00 0.00 176.91 176.82 1b0c h ARG 53 N 0.00 0.54 -0.04 1.72 2.43 -1.03 -0.18 114.38 117.82 1b0c h ARG 53 Ca -0.00 -0.83 -0.03 0.00 -0.81 0.00 0.00 59.98 58.30 1b0c h ARG 53 Cb 0.74 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1b0c h ARG 53 CO 0.05 1.39 -0.11 1.15 -1.51 0.00 0.00 179.97 180.94 1b0c h THR 54 N 0.19 1.45 -0.48 0.20 2.02 -1.13 -3.32 112.91 111.84 1b0c h THR 54 Ca -0.21 -1.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.44 1b0c h THR 54 Cb 2.04 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 70.80 1b0c h THR 54 CO 0.25 0.41 0.02 0.00 0.37 0.00 0.00 175.52 176.57