#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bpt n PRO 2 N 0.00 0.80 0.24 -0.14 -0.02 -1.26 -4.90 135.00 129.72 1bpt n PRO 2 Ca 0.00 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1bpt n PRO 2 Cb 0.00 -2.01 0.57 0.00 -0.02 0.00 0.00 33.50 32.04 1bpt n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bpt h ASP 3 N 0.48 0.00 0.93 2.55 3.32 -2.03 -2.27 116.42 119.41 1bpt h ASP 3 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1bpt h ASP 3 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1bpt h ASP 3 CO 0.50 0.16 0.00 2.22 -1.72 0.00 0.00 179.24 180.40 1bpt n PHE 4 N -4.17 0.82 0.27 4.55 1.16 -1.26 -2.75 117.46 116.09 1bpt n PHE 4 Ca -0.02 0.30 0.15 0.00 -1.87 0.00 0.00 57.45 56.00 1bpt n PHE 4 Cb 0.23 -0.98 0.74 0.00 -1.61 0.00 0.00 39.48 37.86 1bpt n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bpt n LEU 6 N -3.34 0.85 -4.77 0.00 4.32 -1.11 -4.32 117.00 108.62 1bpt n LEU 6 Ca -0.01 -0.17 -0.37 0.00 -0.02 0.00 0.00 56.01 55.44 1bpt n LEU 6 Cb 0.27 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 1bpt n LEU 6 CO 0.28 0.17 0.82 -1.61 -1.22 0.00 0.00 177.39 175.83 1bpt s GLU 7 N -2.61 3.76 0.60 3.23 2.02 -0.73 -4.97 118.70 120.00 1bpt s GLU 7 Ca 0.22 1.74 -0.15 0.00 0.02 0.00 0.00 54.97 56.80 1bpt s GLU 7 Cb 0.19 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1bpt s GLU 7 CO 0.55 -0.54 1.05 -1.25 0.02 0.00 0.00 175.26 175.09 1bpt s PRO 8 N -2.72 3.32 0.54 0.39 0.04 -1.26 -4.89 135.00 130.41 1bpt s PRO 8 Ca 0.64 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 1bpt s PRO 8 Cb -0.28 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1bpt s PRO 8 CO 0.34 -0.80 1.24 -1.25 0.04 0.00 0.00 177.00 176.56 1bpt s PRO 9 N -4.18 3.27 -0.21 0.56 0.04 -1.26 -4.93 135.00 128.29 1bpt s PRO 9 Ca 0.63 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.61 1bpt s PRO 9 Cb -0.15 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1bpt s PRO 9 CO 0.38 -0.99 -0.08 -0.47 0.04 0.00 0.00 177.00 175.88 1bpt s TYR 10 N -1.49 2.41 -0.02 0.56 5.04 -1.26 -4.98 117.35 117.61 1bpt s TYR 10 Ca 0.71 -1.66 -0.25 0.00 -2.44 0.00 0.00 57.07 53.44 1bpt s TYR 10 Cb -0.33 -1.61 -0.20 0.00 0.35 0.00 0.00 41.96 40.17 1bpt s TYR 10 CO 0.38 -0.75 1.22 1.15 -1.34 0.00 0.00 175.55 176.20 1bpt h THR 11 N 6.51 1.43 0.00 4.34 2.02 -1.96 -3.44 112.91 121.81 1bpt h THR 11 Ca -0.24 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1bpt h THR 11 Cb 1.09 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1bpt h THR 11 CO 0.45 0.37 0.00 0.61 0.37 0.00 0.00 175.52 177.31 1bpt n GLY 12 N 0.42 -0.49 0.01 2.16 0.00 -1.26 -1.26 105.19 104.77 1bpt n GLY 12 Ca -0.08 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1bpt n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bpt n PRO 13 N -0.52 0.02 -2.13 1.61 -0.04 -1.26 -4.75 135.00 127.92 1bpt n PRO 13 Ca 0.00 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1bpt n PRO 13 Cb 0.00 -1.52 0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1bpt n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bpt n LYS 15 N -2.76 2.42 -2.65 0.00 4.01 -1.17 -4.46 118.16 113.55 1bpt n LYS 15 Ca 0.05 -3.08 -0.22 0.00 -0.51 0.00 0.00 58.31 54.56 1bpt n LYS 15 Cb 0.57 -1.96 0.04 0.00 -0.51 0.00 0.00 35.03 33.16 1bpt n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bpt s ALA 16 N -3.14 3.79 -0.46 7.82 0.00 -0.72 -5.06 121.76 123.99 1bpt s ALA 16 Ca 0.48 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1bpt s ALA 16 Cb 0.42 -2.15 0.12 0.00 0.00 0.00 0.00 23.12 21.51 1bpt s ALA 16 CO 0.06 -0.74 0.21 0.50 0.00 0.00 0.00 175.76 175.78 1bpt s ARG 17 N -4.78 1.88 -0.16 0.00 3.52 -1.26 -4.15 118.95 114.00 1bpt s ARG 17 Ca 0.56 -2.30 0.00 0.00 -0.13 0.00 0.00 55.73 53.86 1bpt s ARG 17 Cb -0.10 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1bpt s ARG 17 CO 0.39 -1.06 -0.15 0.42 -0.81 0.00 0.00 175.30 174.09 1bpt s ILE 18 N 0.24 2.67 -0.21 4.11 1.01 -0.58 -4.98 121.20 123.47 1bpt s ILE 18 Ca 0.14 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 1bpt s ILE 18 Cb -0.23 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1bpt s ILE 18 CO -0.03 0.51 0.52 -0.63 0.00 0.00 0.00 174.94 175.30 1bpt s ILE 19 N 0.89 5.10 0.42 2.92 1.09 -1.26 0.58 121.20 130.94 1bpt s ILE 19 Ca -0.04 0.94 0.03 0.00 -1.10 0.00 0.00 60.65 60.49 1bpt s ILE 19 Cb -0.15 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 1bpt s ILE 19 CO -0.01 0.17 0.08 -0.13 -0.10 0.00 0.00 174.94 174.94 1bpt s ARG 20 N 1.69 1.94 0.01 2.79 1.81 -0.89 -4.97 118.95 121.34 1bpt s ARG 20 Ca 0.24 -2.17 0.06 0.00 -1.72 0.00 0.00 55.73 52.13 1bpt s ARG 20 Cb -0.15 -0.95 -0.03 0.00 -0.45 0.00 0.00 34.95 33.36 1bpt s ARG 20 CO 0.09 -0.36 -0.16 0.71 -0.68 0.00 0.00 175.30 174.91 1bpt s TYR 21 N -3.12 2.64 0.06 -0.53 2.02 0.12 -1.40 117.35 117.15 1bpt s TYR 21 Ca 0.23 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 1bpt s TYR 21 Cb 0.04 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1bpt s TYR 21 CO 0.12 0.25 -0.13 -0.59 -1.57 0.00 0.00 175.55 173.63 1bpt s PHE 22 N -0.89 1.10 -0.14 2.71 -0.71 0.32 0.12 117.98 120.49 1bpt s PHE 22 Ca 0.14 -0.46 -0.19 0.00 -1.04 0.00 0.00 56.93 55.38 1bpt s PHE 22 Cb -0.11 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 41.04 1bpt s PHE 22 CO 0.05 0.03 0.53 0.00 -1.34 0.00 0.00 175.22 174.49 1bpt s ALA 23 N -1.28 3.48 -0.87 1.99 0.00 -1.26 -0.53 121.76 123.28 1bpt s ALA 23 Ca -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1bpt s ALA 23 Cb -0.10 -2.76 0.22 0.00 0.00 0.00 0.00 23.12 20.48 1bpt s ALA 23 CO 0.02 -0.18 0.77 1.21 0.00 0.00 0.00 175.76 177.59 1bpt s ASN 24 N 0.83 6.29 0.57 0.00 3.84 0.04 -4.80 114.94 121.71 1bpt s ASN 24 Ca 0.27 -3.26 0.31 0.00 0.21 0.00 0.00 52.86 50.39 1bpt s ASN 24 Cb -0.16 -2.03 1.43 0.00 -0.55 0.00 0.00 41.25 39.94 1bpt s ASN 24 CO 0.11 -0.34 1.80 0.00 -2.79 0.00 0.00 177.10 175.88 1bpt h ALA 25 N 6.79 2.62 0.08 1.71 0.00 -1.81 0.20 119.26 128.86 1bpt h ALA 25 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1bpt h ALA 25 Cb 0.91 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1bpt h ALA 25 CO 0.83 -1.09 -0.58 -0.22 0.00 0.00 0.00 179.25 178.18 1bpt h LYS 26 N 0.00 0.25 -0.01 0.00 1.63 -1.94 -3.36 116.57 113.15 1bpt h LYS 26 Ca 0.37 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1bpt h LYS 26 Cb 1.75 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.52 1bpt h LYS 26 CO -0.00 1.15 -0.42 0.00 -3.45 0.00 0.00 179.45 176.73 1bpt n ALA 27 N -2.64 3.43 -1.38 5.00 0.00 -0.46 -4.95 120.51 119.51 1bpt n ALA 27 Ca -0.12 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1bpt n ALA 27 Cb 0.71 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1bpt n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bpt n GLY 28 N 1.40 1.36 3.55 0.00 0.00 0.59 -4.99 105.19 107.10 1bpt n GLY 28 Ca 0.10 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1bpt n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bpt s LEU 29 N -2.96 2.74 -0.22 0.99 1.02 -1.17 -5.00 118.68 114.08 1bpt s LEU 29 Ca 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 54.13 52.86 1bpt s LEU 29 Cb 0.00 -0.96 -0.03 0.00 0.02 0.00 0.00 46.19 45.22 1bpt s LEU 29 CO 0.00 -0.25 0.04 0.00 0.02 0.00 0.00 176.35 176.16 1bpt s GLN 31 N 1.18 1.43 0.16 0.00 -0.21 0.31 -4.94 119.66 117.59 1bpt s GLN 31 Ca 0.04 -1.65 -0.28 0.00 0.02 0.00 0.00 55.36 53.50 1bpt s GLN 31 Cb -0.14 -1.29 -0.08 0.00 1.00 0.00 0.00 33.01 32.50 1bpt s GLN 31 CO 0.03 0.22 0.86 0.99 -2.12 0.00 0.00 175.29 175.27 1bpt s THR 32 N -2.85 4.34 0.17 -0.19 2.01 -1.26 -0.52 115.64 117.34 1bpt s THR 32 Ca 0.25 1.89 -0.06 0.00 0.31 0.00 0.00 61.69 64.07 1bpt s THR 32 Cb -0.02 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1bpt s THR 32 CO 0.09 0.46 0.24 0.72 -0.69 0.00 0.00 174.62 175.44 1bpt s PHE 33 N -0.80 0.62 -0.39 4.92 -0.71 -0.49 -4.94 117.98 116.19 1bpt s PHE 33 Ca 0.40 -0.96 -0.18 0.00 -1.04 0.00 0.00 56.93 55.15 1bpt s PHE 33 Cb -0.24 -0.19 0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1bpt s PHE 33 CO 0.28 -0.70 0.49 0.08 -1.34 0.00 0.00 175.22 174.04 1bpt s VAL 34 N -4.02 5.02 -0.19 -2.49 1.01 -1.26 -2.10 120.40 116.37 1bpt s VAL 34 Ca 0.23 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1bpt s VAL 34 Cb 0.04 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1bpt s VAL 34 CO 0.04 -0.34 0.26 -0.47 0.00 0.00 0.00 175.10 174.58 1bpt s TYR 35 N 2.35 3.41 0.15 5.22 5.04 0.20 -4.44 117.35 129.26 1bpt s TYR 35 Ca 0.16 0.48 0.33 0.00 -2.44 0.00 0.00 57.07 55.61 1bpt s TYR 35 Cb -0.16 -2.33 1.66 0.00 0.35 0.00 0.00 41.96 41.48 1bpt s TYR 35 CO 0.14 0.16 2.01 0.78 -1.34 0.00 0.00 175.55 177.31 1bpt h GLY 36 N 7.03 0.00 0.00 8.97 0.00 -1.34 -1.54 103.07 116.19 1bpt h GLY 36 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1bpt h GLY 36 CO 0.73 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.88 1bpt n GLY 37 N -0.70 0.91 3.34 4.60 0.00 -1.26 -1.76 105.19 110.32 1bpt n GLY 37 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1bpt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bpt n ARG 39 N 1.36 -2.43 -1.64 0.00 1.74 -1.26 -4.33 116.66 110.09 1bpt n ARG 39 Ca -0.20 0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 1bpt n ARG 39 Cb 0.56 -3.94 0.01 0.00 -1.02 0.00 0.00 32.46 28.08 1bpt n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bpt n ALA 40 N -2.93 0.51 -3.53 7.54 0.00 -1.26 -4.88 120.51 115.96 1bpt n ALA 40 Ca -0.02 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 1bpt n ALA 40 Cb 0.54 -2.14 0.03 0.00 0.00 0.00 0.00 19.45 17.88 1bpt n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bpt n LYS 41 N 0.10 0.64 -0.01 0.00 5.02 -1.26 -5.06 118.16 117.58 1bpt n LYS 41 Ca 0.09 -3.33 -0.10 0.00 -2.02 0.00 0.00 58.31 52.94 1bpt n LYS 41 Cb 0.39 0.11 0.04 0.00 -0.02 0.00 0.00 35.03 35.56 1bpt n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bpt h ARG 42 N 0.00 0.60 -4.05 1.97 -0.00 -1.96 -3.34 114.38 107.61 1bpt h ARG 42 Ca -0.32 -0.38 -0.67 0.00 -0.50 0.00 0.00 59.98 58.11 1bpt h ARG 42 Cb 1.27 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 31.28 1bpt h ARG 42 CO 0.48 0.99 2.91 -1.71 0.00 0.00 0.00 179.97 182.65 1bpt n ASN 43 N -3.97 3.87 -3.27 7.04 5.15 -1.26 -4.68 115.26 118.15 1bpt n ASN 43 Ca -0.03 -2.75 -0.04 0.00 -0.60 0.00 0.00 54.58 51.16 1bpt n ASN 43 Cb 0.61 -1.46 -0.05 0.00 -0.53 0.00 0.00 39.78 38.35 1bpt n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bpt s ASN 44 N 3.69 -0.40 0.18 1.20 3.04 -1.25 -4.55 114.94 116.85 1bpt s ASN 44 Ca 0.52 0.39 0.10 0.00 0.04 0.00 0.00 52.86 53.91 1bpt s ASN 44 Cb 0.14 1.53 -0.04 0.00 -1.54 0.00 0.00 41.25 41.34 1bpt s ASN 44 CO -0.02 -0.29 -0.17 -0.36 -3.04 0.00 0.00 177.10 173.22 1bpt s PHE 45 N 2.67 2.48 -0.26 0.43 0.08 0.32 -4.92 117.98 118.78 1bpt s PHE 45 Ca 0.15 -0.28 0.22 0.00 0.12 0.00 0.00 56.93 57.14 1bpt s PHE 45 Cb -0.15 -1.24 0.05 0.00 -0.57 0.00 0.00 43.02 41.12 1bpt s PHE 45 CO -0.20 0.49 1.14 0.87 -0.10 0.00 0.00 175.22 177.42 1bpt h LYS 46 N 3.16 0.00 -4.06 0.44 1.57 -1.94 0.35 116.57 116.10 1bpt h LYS 46 Ca -0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 1bpt h LYS 46 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 1bpt h LYS 46 CO 0.50 0.03 -0.55 -1.54 -0.57 0.00 0.00 179.45 177.32 1bpt s SER 47 N -5.57 0.33 0.33 0.86 1.04 -1.26 -4.77 113.70 104.66 1bpt s SER 47 Ca 0.01 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.62 1bpt s SER 47 Cb 0.09 0.26 0.58 0.00 0.10 0.00 0.00 66.02 67.04 1bpt s SER 47 CO 0.77 -0.65 1.87 0.00 0.98 0.00 0.00 173.24 176.20 1bpt h ALA 48 N 2.99 1.35 -0.28 5.32 0.00 -1.97 -2.63 119.26 124.04 1bpt h ALA 48 Ca -0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1bpt h ALA 48 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1bpt h ALA 48 CO 0.62 0.45 0.09 1.49 0.00 0.00 0.00 179.25 181.90 1bpt h GLU 49 N 0.53 0.44 -0.30 0.00 4.81 -1.98 0.20 114.58 118.28 1bpt h GLU 49 Ca 0.11 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1bpt h GLU 49 Cb 0.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1bpt h GLU 49 CO 0.01 0.50 0.20 0.22 -0.73 0.00 0.00 179.01 179.21 1bpt h ASP 50 N 0.29 0.34 -0.10 1.04 1.82 -1.97 0.12 116.42 117.97 1bpt h ASP 50 Ca 0.09 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1bpt h ASP 50 Cb 0.25 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 1bpt h ASP 50 CO -0.00 0.25 0.05 0.00 -1.61 0.00 0.00 179.24 177.92 1bpt h MET 52 N 0.04 1.10 -0.24 0.00 2.86 -0.53 0.28 114.93 118.45 1bpt h MET 52 Ca 0.03 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1bpt h MET 52 Cb 0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1bpt h MET 52 CO -0.00 1.00 0.04 -0.09 1.06 0.00 0.00 176.91 178.91 1bpt h ARG 53 N 1.03 0.40 -0.05 1.72 2.43 -0.67 -1.28 114.38 117.96 1bpt h ARG 53 Ca 0.20 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1bpt h ARG 53 Cb 0.43 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1bpt h ARG 53 CO 0.01 0.53 -0.04 1.15 -1.51 0.00 0.00 179.97 180.11 1bpt h THR 54 N 0.20 1.37 0.00 0.20 2.02 -1.20 -3.40 112.91 112.10 1bpt h THR 54 Ca 0.07 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1bpt h THR 54 Cb 0.32 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1bpt h THR 54 CO 0.00 0.31 -0.31 0.00 0.37 0.00 0.00 175.52 175.89