#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 0.99 0.22 -0.14 -0.02 -1.26 -4.92 135.00 129.87 1b0c n PRO 2 Ca 0.00 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1b0c n PRO 2 Cb 0.00 -2.28 0.49 0.00 -0.02 0.00 0.00 33.50 31.69 1b0c n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b0c h ASP 3 N 0.55 0.00 0.32 2.55 3.32 -2.03 -2.67 116.42 118.46 1b0c h ASP 3 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1b0c h ASP 3 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1b0c h ASP 3 CO 0.52 0.24 0.00 2.19 -1.72 0.00 0.00 179.24 180.46 1b0c h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -2.00 -1.54 116.94 112.80 1b0c h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b0c h PHE 4 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.87 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 -1.65 1.87 -4.77 0.00 4.77 -0.58 -4.51 117.00 112.13 1b0c n LEU 6 Ca 0.02 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 55.00 1b0c n LEU 6 Cb 0.12 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1b0c n LEU 6 CO 0.10 0.34 0.78 -1.61 -1.33 0.00 0.00 177.39 175.67 1b0c s GLU 7 N -2.41 3.19 0.48 3.23 2.02 -0.67 -4.95 118.70 119.58 1b0c s GLU 7 Ca 0.22 1.58 -0.13 0.00 0.02 0.00 0.00 54.97 56.66 1b0c s GLU 7 Cb 0.19 -1.99 -0.07 0.00 0.10 0.00 0.00 34.13 32.36 1b0c s GLU 7 CO 0.52 -0.98 0.89 -2.14 0.02 0.00 0.00 175.26 173.57 1b0c s PRO 8 N -3.48 3.83 0.26 0.39 0.02 -1.26 -4.89 135.00 129.87 1b0c s PRO 8 Ca 0.72 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.14 1b0c s PRO 8 Cb -0.24 -2.25 -0.11 0.00 0.02 0.00 0.00 34.50 31.93 1b0c s PRO 8 CO 0.31 -0.19 1.54 -1.25 -0.33 0.00 0.00 177.00 177.08 1b0c s PRO 9 N -4.09 4.18 -0.25 5.54 0.04 -1.26 -4.96 135.00 134.20 1b0c s PRO 9 Ca 0.55 2.46 -0.01 0.00 0.04 0.00 0.00 61.00 64.04 1b0c s PRO 9 Cb -0.10 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1b0c s PRO 9 CO 0.34 -0.56 -0.06 -0.47 0.04 0.00 0.00 177.00 176.28 1b0c s TYR 10 N 0.16 3.10 0.10 0.56 5.04 -1.26 -5.00 117.35 120.06 1b0c s TYR 10 Ca 0.63 -1.69 -0.14 0.00 -2.44 0.00 0.00 57.07 53.44 1b0c s TYR 10 Cb -0.45 -2.05 -0.11 0.00 0.35 0.00 0.00 41.96 39.70 1b0c s TYR 10 CO 0.44 -0.76 1.38 1.15 -1.34 0.00 0.00 175.55 176.41 1b0c h THR 11 N 6.24 1.30 0.00 4.34 2.02 -1.94 -3.43 112.91 121.43 1b0c h THR 11 Ca -0.30 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1b0c h THR 11 Cb 1.09 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1b0c h THR 11 CO 0.56 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.60 1b0c n GLY 12 N 0.38 -0.21 0.02 2.16 0.00 -1.26 -0.00 105.19 106.28 1b0c n GLY 12 Ca -0.05 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.11 0.04 -1.73 1.61 -0.04 -1.26 -4.67 135.00 128.85 1b0c n PRO 13 Ca 0.00 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 1b0c n PRO 13 Cb 0.00 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1b0c n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b0c n LYS 15 N -2.86 0.15 -1.01 0.00 4.01 -1.22 -4.50 118.16 112.72 1b0c n LYS 15 Ca 0.07 0.09 -0.31 0.00 -0.51 0.00 0.00 58.31 57.66 1b0c n LYS 15 Cb 0.54 -1.64 0.13 0.00 -0.51 0.00 0.00 35.03 33.55 1b0c n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1b0c s ALA 16 N -3.06 1.73 -0.58 7.82 0.00 0.02 -5.01 121.76 122.68 1b0c s ALA 16 Ca 0.11 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1b0c s ALA 16 Cb 0.15 -3.33 0.27 0.00 0.00 0.00 0.00 23.12 20.22 1b0c s ALA 16 CO 0.61 -2.32 0.75 0.54 0.00 0.00 0.00 175.76 175.34 1b0c n ARG 17 N -3.91 2.32 -3.82 0.00 1.74 -1.26 -4.14 116.66 107.60 1b0c n ARG 17 Ca 0.09 -4.43 -0.37 0.00 -0.77 0.00 0.00 57.85 52.37 1b0c n ARG 17 Cb 0.53 -2.07 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 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 -2.66 5.44 -0.13 0.55 -1.09 -0.96 -4.92 121.20 117.43 1b0c s ILE 18 Ca 0.41 0.29 -0.24 0.00 -2.23 0.00 0.00 60.65 58.88 1b0c s ILE 18 Cb 0.19 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1b0c s ILE 18 CO -0.05 0.60 0.74 -0.63 -1.23 0.00 0.00 174.94 174.37 1b0c s ILE 19 N -0.91 4.97 0.20 2.92 -1.09 -1.26 0.02 121.20 126.05 1b0c s ILE 19 Ca 0.16 1.48 0.04 0.00 -2.23 0.00 0.00 60.65 60.10 1b0c s ILE 19 Cb -0.12 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1b0c s ILE 19 CO 0.05 0.14 -0.03 -0.13 -1.23 0.00 0.00 174.94 173.73 1b0c s ARG 20 N 1.52 1.22 0.05 2.79 1.81 -0.40 -4.92 118.95 121.01 1b0c s ARG 20 Ca 0.37 -1.59 0.05 0.00 -1.72 0.00 0.00 55.73 52.84 1b0c s ARG 20 Cb -0.17 -0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 33.72 1b0c s ARG 20 CO 0.15 -0.05 -0.09 0.71 -0.68 0.00 0.00 175.30 175.34 1b0c s TYR 21 N -3.42 2.79 0.04 -0.53 2.02 0.13 -0.92 117.35 117.46 1b0c s TYR 21 Ca 0.24 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 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 0.06 0.37 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.78 1b0c s PHE 22 N -1.07 0.46 -0.16 2.71 -0.71 -0.23 -0.62 117.98 118.37 1b0c s PHE 22 Ca 0.19 -0.65 -0.24 0.00 -1.04 0.00 0.00 56.93 55.18 1b0c s PHE 22 Cb -0.11 -0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.37 1b0c s PHE 22 CO 0.10 -0.20 0.76 -0.47 -1.34 0.00 0.00 175.22 174.07 1b0c s TYR 23 N -2.07 3.44 -0.52 3.49 5.04 -1.26 -0.79 117.35 124.68 1b0c s TYR 23 Ca -0.08 1.17 -0.16 0.00 -2.44 0.00 0.00 57.07 55.56 1b0c s TYR 23 Cb -0.05 -2.92 0.10 0.00 0.35 0.00 0.00 41.96 39.43 1b0c s TYR 23 CO -0.03 -0.17 0.49 1.21 -1.34 0.00 0.00 175.55 175.72 1b0c s ASN 24 N 1.11 6.18 0.21 4.32 3.04 -0.49 -4.79 114.94 124.52 1b0c s ASN 24 Ca 0.36 -1.55 -0.09 0.00 0.04 0.00 0.00 52.86 51.62 1b0c s ASN 24 Cb -0.17 -2.21 0.24 0.00 -1.54 0.00 0.00 41.25 37.57 1b0c s ASN 24 CO 0.13 -0.81 1.82 0.00 -3.04 0.00 0.00 177.10 175.19 1b0c h ALA 25 N 8.88 0.92 -0.86 1.71 0.00 -1.84 0.13 119.26 128.19 1b0c h ALA 25 Ca -0.29 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1b0c h ALA 25 Cb 1.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1b0c h ALA 25 CO 0.99 0.09 0.46 1.57 0.00 0.00 0.00 179.25 182.36 1b0c h LYS 26 N 0.73 1.21 0.00 0.00 2.10 -1.95 -2.89 116.57 115.77 1b0c h LYS 26 Ca 0.30 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1b0c h LYS 26 Cb 0.17 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1b0c h LYS 26 CO -0.17 0.90 -0.59 0.00 -2.00 0.00 0.00 179.45 177.58 1b0c h ALA 27 N 1.25 0.70 0.00 0.07 0.00 -1.89 -3.48 119.26 115.91 1b0c h ALA 27 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1b0c h ALA 27 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1b0c h ALA 27 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1b0c n GLY 28 N 1.15 0.49 3.60 0.00 0.00 0.41 -5.02 105.19 105.82 1b0c n GLY 28 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 0.22 0.19 0.99 0.05 -1.17 -5.00 118.68 113.97 1b0c s LEU 29 Ca 0.00 -0.80 -0.28 0.00 0.05 0.00 0.00 54.13 53.10 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 -1.14 0.88 0.00 -0.55 0.00 0.00 176.35 175.54 1b0c s GLN 31 N -0.99 1.68 0.23 0.00 -0.21 0.03 -4.92 119.66 115.49 1b0c s GLN 31 Ca 0.40 -1.95 -0.03 0.00 0.02 0.00 0.00 55.36 53.79 1b0c s GLN 31 Cb -0.25 -0.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.96 1b0c s GLN 31 CO 0.30 -0.26 0.46 0.95 -2.12 0.00 0.00 175.29 174.62 1b0c s THR 32 N -3.33 5.11 0.09 -0.19 -4.23 -1.26 -1.07 115.64 110.77 1b0c s THR 32 Ca 0.34 -0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.56 1b0c s THR 32 Cb 0.07 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.25 1b0c s THR 32 CO 0.15 -0.19 0.48 0.72 -0.54 0.00 0.00 174.62 175.24 1b0c s PHE 33 N -1.91 -0.34 -0.31 3.99 -0.71 -0.09 -4.90 117.98 113.70 1b0c s PHE 33 Ca 0.41 0.22 -0.22 0.00 -1.04 0.00 0.00 56.93 56.31 1b0c s PHE 33 Cb -0.11 0.33 -0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1b0c s PHE 33 CO 0.28 -0.68 0.70 0.08 -1.34 0.00 0.00 175.22 174.26 1b0c s VAL 34 N -3.09 4.86 -0.11 -2.49 1.01 -1.26 -1.27 120.40 118.05 1b0c s VAL 34 Ca -0.02 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 1b0c s VAL 34 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1b0c s VAL 34 CO -0.07 -0.21 0.35 -0.47 0.00 0.00 0.00 175.10 174.70 1b0c s TYR 35 N 2.79 3.55 0.27 5.22 5.04 0.10 -4.43 117.35 129.88 1b0c s TYR 35 Ca 0.28 0.75 0.17 0.00 -2.44 0.00 0.00 57.07 55.84 1b0c s TYR 35 Cb -0.14 -2.34 0.75 0.00 0.35 0.00 0.00 41.96 40.57 1b0c s TYR 35 CO 0.13 0.36 1.78 0.78 -1.34 0.00 0.00 175.55 177.26 1b0c h GLY 36 N 6.07 0.00 0.00 8.97 0.00 -0.58 -2.55 103.07 114.97 1b0c h GLY 36 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1b0c h GLY 36 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1b0c n GLY 37 N -0.06 1.70 3.24 4.60 0.00 -1.26 -0.80 105.19 112.60 1b0c n GLY 37 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.08 -4.31 -2.75 0.00 3.00 -1.26 -4.53 116.66 106.89 1b0c n ARG 39 Ca -0.16 0.80 -0.36 0.00 -0.01 0.00 0.00 57.85 58.11 1b0c n ARG 39 Cb 0.62 -5.64 -0.06 0.00 0.00 0.00 0.00 32.46 27.38 1b0c n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b0c s ALA 40 N -3.42 3.15 0.81 7.54 0.00 -1.26 -4.75 121.76 123.83 1b0c s ALA 40 Ca 0.21 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 1b0c s ALA 40 Cb -0.04 -3.19 0.11 0.00 0.00 0.00 0.00 23.12 20.01 1b0c s ALA 40 CO 0.75 0.10 0.71 1.63 0.00 0.00 0.00 175.76 178.95 1b0c n LYS 41 N 0.19 -0.33 0.05 0.00 4.76 -1.26 -5.02 118.16 116.54 1b0c n LYS 41 Ca 0.04 -1.44 -0.12 0.00 -2.87 0.00 0.00 58.31 53.92 1b0c n LYS 41 Cb 0.51 -0.63 -0.01 0.00 -1.84 0.00 0.00 35.03 33.06 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 0.46 -4.65 1.97 3.08 -1.97 -3.36 114.38 109.91 1b0c h ARG 42 Ca -0.23 -0.41 -0.70 0.00 0.07 0.00 0.00 59.98 58.70 1b0c h ARG 42 Cb 0.73 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.81 1b0c h ARG 42 CO 0.20 1.05 2.64 -1.71 -1.07 0.00 0.00 179.97 181.08 1b0c n ASN 43 N -3.82 4.41 -3.19 7.04 5.15 -1.26 -4.72 115.26 118.86 1b0c n ASN 43 Ca -0.06 -2.90 0.03 0.00 -0.60 0.00 0.00 54.58 51.05 1b0c n ASN 43 Cb 0.75 -1.67 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 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 3.36 -1.24 -0.03 1.20 3.84 -1.26 -4.67 114.94 116.14 1b0c s ASN 44 Ca 0.49 0.86 0.06 0.00 0.21 0.00 0.00 52.86 54.48 1b0c s ASN 44 Cb 0.09 2.09 -0.01 0.00 -0.55 0.00 0.00 41.25 42.86 1b0c s ASN 44 CO -0.02 -0.26 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.44 1b0c s PHE 45 N 2.83 2.12 0.07 0.43 0.40 0.21 -4.94 117.98 119.10 1b0c s PHE 45 Ca 0.19 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1b0c s PHE 45 Cb -0.15 -1.38 -0.25 0.00 0.51 0.00 0.00 43.02 41.75 1b0c s PHE 45 CO -0.20 -0.10 1.15 -0.22 0.70 0.00 0.00 175.22 176.54 1b0c h LYS 46 N 5.79 0.56 -5.48 0.44 3.64 -1.92 0.39 116.57 119.99 1b0c h LYS 46 Ca -0.37 -0.72 -0.64 0.00 -1.27 0.00 0.00 60.65 57.65 1b0c h LYS 46 Cb 1.15 0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 33.06 1b0c h LYS 46 CO 0.47 1.31 -0.56 0.45 -2.27 0.00 0.00 179.45 178.86 1b0c s SER 47 N -7.33 5.70 0.25 4.20 0.15 -1.26 -4.77 113.70 110.64 1b0c s SER 47 Ca -0.08 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 1b0c s SER 47 Cb 0.06 -1.89 0.30 0.00 -1.71 0.00 0.00 66.02 62.79 1b0c s SER 47 CO 0.92 0.26 1.68 0.00 1.20 0.00 0.00 173.24 177.30 1b0c h ALA 48 N 6.08 1.00 -0.14 5.45 0.00 -1.98 -2.55 119.26 127.13 1b0c h ALA 48 Ca -0.43 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.16 1b0c h ALA 48 Cb 1.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1b0c h ALA 48 CO 0.65 0.59 -0.03 1.49 0.00 0.00 0.00 179.25 181.96 1b0c h GLU 49 N 0.56 0.01 -0.63 0.00 4.81 -2.00 -1.97 114.58 115.36 1b0c h GLU 49 Ca 0.08 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1b0c h GLU 49 Cb 0.68 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 1b0c h GLU 49 CO 0.05 0.01 0.37 -0.44 -0.73 0.00 0.00 179.01 178.26 1b0c h ASP 50 N 0.01 0.57 -0.14 1.04 3.32 -1.95 -2.14 116.42 117.12 1b0c h ASP 50 Ca 0.07 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1b0c h ASP 50 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1b0c h ASP 50 CO -0.13 0.38 0.05 0.00 -1.72 0.00 0.00 179.24 177.82 1b0c h MET 52 N 0.12 0.00 0.24 0.00 2.86 -1.12 -1.12 114.93 115.91 1b0c h MET 52 Ca 0.06 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.36 1b0c h MET 52 Cb 0.03 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.72 1b0c h MET 52 CO -0.06 0.32 -1.52 -0.09 1.06 0.00 0.00 176.91 176.62 1b0c h ARG 53 N 0.00 0.51 -0.05 1.72 2.43 -1.22 -1.73 114.38 116.05 1b0c h ARG 53 Ca -0.00 -0.87 -0.05 0.00 -0.81 0.00 0.00 59.98 58.24 1b0c h ARG 53 Cb 0.67 0.33 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1b0c h ARG 53 CO 0.04 1.42 -0.16 1.15 -1.51 0.00 0.00 179.97 180.91 1b0c h THR 54 N 0.14 1.45 -0.47 0.20 2.02 -1.19 -3.33 112.91 111.74 1b0c h THR 54 Ca -0.27 -1.58 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 1b0c h THR 54 Cb 2.16 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 70.90 1b0c h THR 54 CO 0.26 0.44 0.06 0.00 0.37 0.00 0.00 175.52 176.65