#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 1.31 0.27 -0.14 -0.02 -1.26 -4.93 135.00 130.23 1b0c n PRO 2 Ca 0.00 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1b0c n PRO 2 Cb 0.00 -2.34 0.75 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.04 0.00 0.99 2.55 -0.00 -2.03 -2.58 116.42 116.38 1b0c h ASP 3 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 1b0c h ASP 3 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.66 1b0c h ASP 3 CO 0.54 0.10 0.00 2.19 -0.00 0.00 0.00 179.24 182.07 1b0c h PHE 4 N 0.00 0.00 0.00 4.15 -5.15 -1.98 -2.86 116.94 111.09 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 0.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.44 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 -1.81 1.17 -4.78 0.00 4.77 -1.08 -4.49 117.00 110.78 1b0c n LEU 6 Ca 0.01 -0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 55.20 1b0c n LEU 6 Cb 0.12 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1b0c n LEU 6 CO 0.11 0.25 0.77 -1.61 -1.33 0.00 0.00 177.39 175.58 1b0c s GLU 7 N -2.80 3.56 0.55 3.23 0.41 -0.68 -4.94 118.70 118.03 1b0c s GLU 7 Ca 0.13 1.57 -0.17 0.00 -0.41 0.00 0.00 54.97 56.10 1b0c s GLU 7 Cb 0.17 -2.11 -0.06 0.00 -1.78 0.00 0.00 34.13 30.35 1b0c s GLU 7 CO 0.72 -0.67 1.02 -2.14 -0.49 0.00 0.00 175.26 173.70 1b0c s PRO 8 N -3.15 3.63 0.28 0.39 0.02 -1.26 -4.90 135.00 130.02 1b0c s PRO 8 Ca 0.69 1.12 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 1b0c s PRO 8 Cb -0.23 -2.08 -0.11 0.00 0.02 0.00 0.00 34.50 32.10 1b0c s PRO 8 CO 0.26 -0.54 1.56 -1.25 -0.33 0.00 0.00 177.00 176.70 1b0c s PRO 9 N -3.97 4.15 -0.28 5.54 0.04 -1.26 -4.96 135.00 134.26 1b0c s PRO 9 Ca 0.62 2.52 -0.03 0.00 0.04 0.00 0.00 61.00 64.15 1b0c s PRO 9 Cb -0.13 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.40 1b0c s PRO 9 CO 0.32 -0.59 -0.01 -0.47 0.04 0.00 0.00 177.00 176.30 1b0c s TYR 10 N 0.01 3.17 0.07 0.56 5.04 -1.26 -5.00 117.35 119.94 1b0c s TYR 10 Ca 0.63 -1.63 -0.16 0.00 -2.44 0.00 0.00 57.07 53.47 1b0c s TYR 10 Cb -0.47 -2.11 -0.14 0.00 0.35 0.00 0.00 41.96 39.59 1b0c s TYR 10 CO 0.47 -0.75 1.31 1.15 -1.34 0.00 0.00 175.55 176.39 1b0c h THR 11 N 6.26 1.33 0.00 4.34 2.02 -1.95 -3.44 112.91 121.47 1b0c h THR 11 Ca -0.27 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1b0c h THR 11 Cb 1.09 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1b0c h THR 11 CO 0.56 0.53 0.00 0.61 0.37 0.00 0.00 175.52 177.59 1b0c n GLY 12 N 0.51 -0.15 0.00 2.16 0.00 -1.26 -0.03 105.19 106.41 1b0c n GLY 12 Ca -0.06 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.04 0.06 -2.18 1.61 -0.04 -1.26 -4.67 135.00 128.48 1b0c n PRO 13 Ca 0.00 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 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 n LYS 15 N -1.98 0.22 -1.40 0.00 4.76 -1.24 -4.50 118.16 114.02 1b0c n LYS 15 Ca 0.07 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 1b0c n LYS 15 Cb 0.54 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.35 1b0c n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b0c s ALA 16 N -2.77 1.86 -0.46 7.82 0.00 0.19 -5.02 121.76 123.38 1b0c s ALA 16 Ca 0.21 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.03 1b0c s ALA 16 Cb 0.19 -3.13 0.20 0.00 0.00 0.00 0.00 23.12 20.38 1b0c s ALA 16 CO 0.47 -2.09 0.46 0.54 0.00 0.00 0.00 175.76 175.14 1b0c n ARG 17 N -3.68 0.78 -3.93 0.00 1.74 -1.25 -4.06 116.66 106.26 1b0c n ARG 17 Ca 0.07 -3.49 -0.36 0.00 -0.77 0.00 0.00 57.85 53.30 1b0c n ARG 17 Cb 0.56 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.78 5.38 -0.11 0.55 -1.09 -0.85 -4.92 121.20 119.38 1b0c s ILE 18 Ca 0.33 0.07 -0.24 0.00 -2.23 0.00 0.00 60.65 58.58 1b0c s ILE 18 Cb 0.08 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1b0c s ILE 18 CO -0.15 0.54 0.76 -0.63 -1.23 0.00 0.00 174.94 174.23 1b0c s ILE 19 N -1.10 4.97 0.20 2.92 -1.09 -1.26 -0.05 121.20 125.79 1b0c s ILE 19 Ca 0.18 1.53 0.03 0.00 -2.23 0.00 0.00 60.65 60.16 1b0c s ILE 19 Cb -0.12 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1b0c s ILE 19 CO 0.08 0.15 -0.03 -0.13 -1.23 0.00 0.00 174.94 173.78 1b0c s ARG 20 N 1.42 1.21 0.06 2.79 1.81 -0.51 -4.93 118.95 120.82 1b0c s ARG 20 Ca 0.38 -1.58 0.05 0.00 -1.72 0.00 0.00 55.73 52.85 1b0c s ARG 20 Cb -0.17 -0.55 -0.04 0.00 -0.45 0.00 0.00 34.95 33.74 1b0c s ARG 20 CO 0.16 -0.05 -0.05 0.71 -0.68 0.00 0.00 175.30 175.38 1b0c s TYR 21 N -3.44 2.88 0.04 -0.53 2.02 0.23 -1.05 117.35 117.51 1b0c s TYR 21 Ca 0.24 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1b0c s TYR 21 Cb 0.05 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1b0c s TYR 21 CO 0.05 0.43 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.83 1b0c s PHE 22 N -1.17 0.48 -0.16 2.71 -0.71 -0.09 -0.48 117.98 118.55 1b0c s PHE 22 Ca 0.21 -0.72 -0.23 0.00 -1.04 0.00 0.00 56.93 55.16 1b0c s PHE 22 Cb -0.11 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1b0c s PHE 22 CO 0.13 -0.22 0.71 -0.47 -1.34 0.00 0.00 175.22 174.03 1b0c s TYR 23 N -2.38 3.43 -0.53 3.49 5.04 -1.26 -0.73 117.35 124.41 1b0c s TYR 23 Ca -0.05 1.10 -0.16 0.00 -2.44 0.00 0.00 57.07 55.51 1b0c s TYR 23 Cb -0.03 -2.87 0.11 0.00 0.35 0.00 0.00 41.96 39.52 1b0c s TYR 23 CO -0.04 -0.14 0.50 1.21 -1.34 0.00 0.00 175.55 175.75 1b0c s ASN 24 N 1.09 6.18 0.21 4.32 3.04 -0.46 -4.78 114.94 124.54 1b0c s ASN 24 Ca 0.34 -1.61 -0.09 0.00 0.04 0.00 0.00 52.86 51.54 1b0c s ASN 24 Cb -0.16 -2.22 0.27 0.00 -1.54 0.00 0.00 41.25 37.60 1b0c s ASN 24 CO 0.13 -0.84 1.79 0.00 -3.04 0.00 0.00 177.10 175.14 1b0c h ALA 25 N 8.89 0.89 -0.72 1.71 0.00 -1.84 0.13 119.26 128.32 1b0c h ALA 25 Ca -0.29 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1b0c h ALA 25 Cb 1.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1b0c h ALA 25 CO 1.01 -0.02 0.42 1.57 0.00 0.00 0.00 179.25 182.23 1b0c h LYS 26 N 0.62 0.99 0.00 0.00 2.10 -1.95 -2.88 116.57 115.45 1b0c h LYS 26 Ca 0.31 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.85 1b0c h LYS 26 Cb 0.26 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1b0c h LYS 26 CO -0.22 0.72 -0.40 0.00 -2.00 0.00 0.00 179.45 177.55 1b0c h ALA 27 N 1.22 0.81 0.00 0.07 0.00 -1.89 -3.48 119.26 115.99 1b0c h ALA 27 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1b0c h ALA 27 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b0c h ALA 27 CO -0.05 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1b0c n GLY 28 N 1.14 0.51 3.61 0.00 0.00 0.43 -5.03 105.19 105.85 1b0c n GLY 28 Ca 0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 0.26 0.18 0.99 0.05 -1.17 -4.99 118.68 114.01 1b0c s LEU 29 Ca 0.00 -0.89 -0.26 0.00 0.05 0.00 0.00 54.13 53.02 1b0c s LEU 29 Cb 0.00 1.86 -0.08 0.00 -2.05 0.00 0.00 46.19 45.92 1b0c s LEU 29 CO 0.00 -1.16 0.81 0.00 -0.55 0.00 0.00 176.35 175.45 1b0c s GLN 31 N -1.17 1.68 0.25 0.00 -0.21 0.09 -4.92 119.66 115.38 1b0c s GLN 31 Ca 0.37 -1.96 -0.02 0.00 0.02 0.00 0.00 55.36 53.77 1b0c s GLN 31 Cb -0.24 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.04 1b0c s GLN 31 CO 0.27 -0.29 0.48 0.95 -2.12 0.00 0.00 175.29 174.58 1b0c s THR 32 N -3.36 5.12 0.12 -0.19 -4.23 -1.26 -0.92 115.64 110.92 1b0c s THR 32 Ca 0.33 -0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.45 1b0c s THR 32 Cb 0.07 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.22 1b0c s THR 32 CO 0.15 -0.27 0.50 0.72 -0.54 0.00 0.00 174.62 175.18 1b0c s PHE 33 N -2.00 -0.38 -0.29 3.99 -0.71 -0.21 -4.90 117.98 113.49 1b0c s PHE 33 Ca 0.41 0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 56.27 1b0c s PHE 33 Cb -0.11 0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 42.08 1b0c s PHE 33 CO 0.30 -0.75 0.63 0.08 -1.34 0.00 0.00 175.22 174.14 1b0c s VAL 34 N -3.52 4.96 -0.14 -2.49 1.01 -1.26 -1.42 120.40 117.54 1b0c s VAL 34 Ca 0.01 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 1b0c s VAL 34 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1b0c s VAL 34 CO -0.10 -0.08 0.27 -0.47 0.00 0.00 0.00 175.10 174.72 1b0c s TYR 35 N 2.56 3.51 0.28 5.22 5.04 0.92 -4.42 117.35 130.47 1b0c s TYR 35 Ca 0.25 0.61 0.18 0.00 -2.44 0.00 0.00 57.07 55.68 1b0c s TYR 35 Cb -0.15 -2.27 0.83 0.00 0.35 0.00 0.00 41.96 40.72 1b0c s TYR 35 CO 0.11 0.36 1.82 0.78 -1.34 0.00 0.00 175.55 177.28 1b0c h GLY 36 N 6.21 0.00 0.00 8.97 0.00 -0.59 -2.27 103.07 115.38 1b0c h GLY 36 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1b0c h GLY 36 CO 0.72 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1b0c n GLY 37 N -0.16 1.55 3.23 4.60 0.00 -1.26 -0.64 105.19 112.51 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 0.40 -4.72 -2.33 0.00 3.00 -1.26 -4.54 116.66 107.22 1b0c n ARG 39 Ca -0.18 0.76 -0.33 0.00 -0.01 0.00 0.00 57.85 58.09 1b0c n ARG 39 Cb 0.60 -5.54 -0.02 0.00 0.00 0.00 0.00 32.46 27.51 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 -3.46 2.84 0.57 7.54 0.00 -1.26 -4.81 121.76 123.17 1b0c s ALA 40 Ca 0.14 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1b0c s ALA 40 Cb -0.03 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.94 1b0c s ALA 40 CO 0.77 -0.51 0.78 0.15 0.00 0.00 0.00 175.76 176.95 1b0c s LYS 41 N -3.65 2.32 0.44 0.00 3.01 -1.26 -5.02 119.74 115.58 1b0c s LYS 41 Ca 0.65 -1.38 0.14 0.00 -1.01 0.00 0.00 55.97 54.37 1b0c s LYS 41 Cb -0.16 -2.60 0.99 0.00 -1.01 0.00 0.00 37.83 35.05 1b0c s LYS 41 CO 0.28 -0.83 1.98 0.00 0.51 0.00 0.00 175.35 177.29 1b0c h ARG 42 N 0.14 0.00 -4.09 1.68 -0.00 -1.98 -3.30 114.38 106.82 1b0c h ARG 42 Ca -0.34 0.00 -0.74 0.00 -0.50 0.00 0.00 59.98 58.40 1b0c h ARG 42 Cb 1.28 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 31.11 1b0c h ARG 42 CO 0.42 0.20 1.91 -1.71 0.00 0.00 0.00 179.97 180.79 1b0c n ASN 43 N -4.29 5.03 -3.19 7.04 5.15 -1.26 -4.77 115.26 118.97 1b0c n ASN 43 Ca -0.02 -3.03 0.03 0.00 -0.60 0.00 0.00 54.58 50.95 1b0c n ASN 43 Cb 0.26 -1.54 -0.02 0.00 -0.53 0.00 0.00 39.78 37.95 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 1.89 -1.22 -0.04 1.20 3.84 -1.25 -4.66 114.94 114.72 1b0c s ASN 44 Ca 0.42 0.84 0.06 0.00 0.21 0.00 0.00 52.86 54.40 1b0c s ASN 44 Cb 0.06 2.07 -0.01 0.00 -0.55 0.00 0.00 41.25 42.81 1b0c s ASN 44 CO 0.00 -0.26 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.45 1b0c s PHE 45 N 2.83 2.19 0.08 0.43 0.40 0.37 -4.94 117.98 119.34 1b0c s PHE 45 Ca 0.19 -0.53 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 1b0c s PHE 45 Cb -0.15 -1.43 -0.24 0.00 0.51 0.00 0.00 43.02 41.72 1b0c s PHE 45 CO -0.20 -0.12 1.16 -0.22 0.70 0.00 0.00 175.22 176.54 1b0c h LYS 46 N 5.83 0.48 -5.59 0.44 3.64 -1.92 0.67 116.57 120.13 1b0c h LYS 46 Ca -0.37 -0.65 -0.65 0.00 -1.27 0.00 0.00 60.65 57.72 1b0c h LYS 46 Cb 1.15 0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 33.04 1b0c h LYS 46 CO 0.47 1.27 -0.58 0.45 -2.27 0.00 0.00 179.45 178.79 1b0c s SER 47 N -7.28 5.50 0.20 4.20 0.15 -1.26 -4.77 113.70 110.44 1b0c s SER 47 Ca -0.07 0.14 -0.06 0.00 0.70 0.00 0.00 55.95 56.66 1b0c s SER 47 Cb 0.07 -1.78 0.13 0.00 -1.71 0.00 0.00 66.02 62.73 1b0c s SER 47 CO 0.90 0.28 1.60 0.00 1.20 0.00 0.00 173.24 177.22 1b0c h ALA 48 N 5.88 0.81 -0.30 5.45 0.00 -1.98 -2.56 119.26 126.57 1b0c h ALA 48 Ca -0.44 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.13 1b0c h ALA 48 Cb 1.19 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1b0c h ALA 48 CO 0.62 0.65 0.00 1.49 0.00 0.00 0.00 179.25 182.01 1b0c h GLU 49 N 0.70 0.09 -0.60 0.00 4.81 -1.99 -1.81 114.58 115.78 1b0c h GLU 49 Ca 0.09 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1b0c h GLU 49 Cb 0.78 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1b0c h GLU 49 CO 0.06 0.06 0.37 -0.44 -0.73 0.00 0.00 179.01 178.34 1b0c h ASP 50 N 0.09 0.61 0.04 1.04 3.32 -1.95 -2.23 116.42 117.33 1b0c h ASP 50 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1b0c h ASP 50 Cb 0.19 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1b0c h ASP 50 CO -0.24 0.43 -0.05 0.00 -1.72 0.00 0.00 179.24 177.66 1b0c h MET 52 N -0.10 0.00 0.12 0.00 2.86 -1.19 -1.14 114.93 115.47 1b0c h MET 52 Ca 0.01 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 1b0c h MET 52 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1b0c h MET 52 CO -0.02 0.00 -1.85 -0.09 1.06 0.00 0.00 176.91 176.01 1b0c h ARG 53 N 0.00 0.25 -0.02 1.72 2.43 -1.14 -2.90 114.38 114.72 1b0c h ARG 53 Ca 0.00 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1b0c h ARG 53 Cb 0.50 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1b0c h ARG 53 CO 0.00 1.11 -0.11 1.15 -1.51 0.00 0.00 179.97 180.61 1b0c h THR 54 N 0.07 1.52 -0.48 0.20 2.02 -1.14 -3.32 112.91 111.77 1b0c h THR 54 Ca -0.37 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1b0c h THR 54 Cb 2.04 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 71.03 1b0c h THR 54 CO 0.11 0.45 0.00 0.00 0.37 0.00 0.00 175.52 176.45