#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bth s PRO 2 N 0.00 3.13 0.40 2.89 0.02 -1.26 -4.81 135.00 135.36 1bth s PRO 2 Ca 0.00 2.17 0.16 0.00 0.02 0.00 0.00 61.00 63.35 1bth s PRO 2 Cb 0.00 -2.22 1.04 0.00 0.02 0.00 0.00 34.50 33.34 1bth s PRO 2 CO 0.00 -1.18 1.82 -0.44 -0.33 0.00 0.00 177.00 176.87 1bth h ASP 3 N 1.40 0.47 0.35 2.53 5.19 -1.99 -1.30 116.42 123.07 1bth h ASP 3 Ca -0.51 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1bth h ASP 3 Cb 1.30 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1bth h ASP 3 CO 0.57 0.16 0.00 2.22 -3.12 0.00 0.00 179.24 179.07 1bth n PHE 4 N -4.57 0.71 0.54 4.55 1.16 -1.26 -1.71 117.46 116.88 1bth n PHE 4 Ca 0.22 0.32 0.13 0.00 -1.87 0.00 0.00 57.45 56.25 1bth n PHE 4 Cb 0.74 -1.02 0.44 0.00 -1.61 0.00 0.00 39.48 38.03 1bth n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bth h LEU 6 N 0.00 0.00 -9.64 0.00 -0.00 -1.50 -3.39 115.31 100.78 1bth h LEU 6 Ca 0.00 -0.12 -0.52 0.00 -0.00 0.00 0.00 57.88 57.25 1bth h LEU 6 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1bth h LEU 6 CO 0.00 0.06 0.45 -1.83 -0.00 0.00 0.00 178.44 177.12 1bth s GLU 7 N -3.20 4.62 0.84 1.13 -1.05 -1.06 -4.89 118.70 115.09 1bth s GLU 7 Ca 0.06 1.65 -0.12 0.00 -0.15 0.00 0.00 54.97 56.41 1bth s GLU 7 Cb 0.12 -3.30 0.10 0.00 -0.44 0.00 0.00 34.13 30.61 1bth s GLU 7 CO 0.71 0.12 1.17 -2.14 0.95 0.00 0.00 175.26 176.07 1bth s PRO 8 N -0.29 1.47 0.56 -4.83 0.02 -1.26 -4.90 135.00 125.77 1bth s PRO 8 Ca 0.49 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 1bth s PRO 8 Cb -0.28 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1bth s PRO 8 CO 0.34 -2.31 1.28 -1.25 -0.33 0.00 0.00 177.00 174.72 1bth s PRO 9 N -4.40 3.08 -0.15 5.54 0.04 -1.26 -4.99 135.00 132.85 1bth s PRO 9 Ca 0.69 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.76 1bth s PRO 9 Cb -0.25 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1bth s PRO 9 CO 0.54 -1.18 -0.08 -0.47 0.04 0.00 0.00 177.00 175.85 1bth s TYR 10 N -1.43 1.75 -0.01 0.56 5.04 -1.26 -5.01 117.35 117.00 1bth s TYR 10 Ca 0.74 -1.03 -0.20 0.00 -2.44 0.00 0.00 57.07 54.14 1bth s TYR 10 Cb -0.36 -1.35 -0.27 0.00 0.35 0.00 0.00 41.96 40.33 1bth s TYR 10 CO 0.41 -0.60 1.03 1.15 -1.34 0.00 0.00 175.55 176.19 1bth h THR 11 N 6.27 1.44 0.00 4.34 2.02 -1.94 -3.43 112.91 121.61 1bth h THR 11 Ca -0.28 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.59 1bth h THR 11 Cb 1.12 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1bth h THR 11 CO 0.43 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.59 1bth n GLY 12 N 1.33 -0.43 0.14 2.16 0.00 -1.26 0.89 105.19 108.02 1bth n GLY 12 Ca -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1bth n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bth h PRO 13 N 0.00 0.00 -7.18 1.61 0.13 -1.93 -3.44 132.00 121.19 1bth h PRO 13 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1bth h PRO 13 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 1bth h PRO 13 CO 0.00 0.51 0.39 0.00 -0.23 0.00 0.00 178.00 178.67 1bth n LYS 15 N -2.37 2.31 -2.86 0.00 4.76 -1.24 -4.45 118.16 114.31 1bth n LYS 15 Ca 0.11 -3.08 -0.28 0.00 -2.87 0.00 0.00 58.31 52.19 1bth n LYS 15 Cb 0.51 -2.18 -0.01 0.00 -1.84 0.00 0.00 35.03 31.52 1bth n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bth s ALA 16 N -3.39 3.45 -0.57 7.82 0.00 -0.64 -5.04 121.76 123.38 1bth s ALA 16 Ca 0.57 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1bth s ALA 16 Cb 0.48 -2.52 0.15 0.00 0.00 0.00 0.00 23.12 21.23 1bth s ALA 16 CO 0.08 -0.17 0.36 0.50 0.00 0.00 0.00 175.76 176.54 1bth s ARG 17 N -4.36 2.34 -0.35 0.00 3.52 -1.26 -4.17 118.95 114.68 1bth s ARG 17 Ca 0.47 -2.47 -0.03 0.00 -0.13 0.00 0.00 55.73 53.57 1bth s ARG 17 Cb -0.10 -3.61 0.07 0.00 -1.56 0.00 0.00 34.95 29.76 1bth s ARG 17 CO 0.39 -1.14 0.11 0.42 -0.81 0.00 0.00 175.30 174.27 1bth s ILE 18 N 0.03 3.23 -0.16 4.11 1.01 -0.55 -4.95 121.20 123.92 1bth s ILE 18 Ca 0.16 -1.65 -0.29 0.00 0.00 0.00 0.00 60.65 58.87 1bth s ILE 18 Cb -0.22 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1bth s ILE 18 CO -0.03 -0.38 1.58 -0.63 0.00 0.00 0.00 174.94 175.49 1bth s ILE 19 N 1.22 3.73 0.43 2.92 -1.09 -1.26 -0.01 121.20 127.14 1bth s ILE 19 Ca 0.01 0.85 0.03 0.00 -2.23 0.00 0.00 60.65 59.32 1bth s ILE 19 Cb -0.21 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1bth s ILE 19 CO -0.02 -0.19 0.05 -0.13 -1.23 0.00 0.00 174.94 173.42 1bth s ARG 20 N 4.31 1.98 -0.05 2.79 1.81 0.12 -4.94 118.95 124.97 1bth s ARG 20 Ca 0.70 -2.19 0.05 0.00 -1.72 0.00 0.00 55.73 52.56 1bth s ARG 20 Cb -0.27 -1.17 -0.02 0.00 -0.45 0.00 0.00 34.95 33.04 1bth s ARG 20 CO 0.27 -0.30 -0.19 0.71 -0.68 0.00 0.00 175.30 175.11 1bth s TYR 21 N -3.02 2.57 0.04 -0.53 2.02 0.03 -0.52 117.35 117.95 1bth s TYR 21 Ca 0.22 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1bth s TYR 21 Cb 0.05 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 1bth s TYR 21 CO 0.11 0.00 -0.10 -0.59 -1.57 0.00 0.00 175.55 173.40 1bth s PHE 22 N -0.46 0.87 -0.30 2.71 -0.71 0.35 0.33 117.98 120.77 1bth s PHE 22 Ca 0.05 -0.42 -0.26 0.00 -1.04 0.00 0.00 56.93 55.26 1bth s PHE 22 Cb -0.12 -0.51 0.01 0.00 -1.21 0.00 0.00 43.02 41.19 1bth s PHE 22 CO 0.01 -0.02 0.94 -0.47 -1.34 0.00 0.00 175.22 174.34 1bth s TYR 23 N -1.14 3.19 -0.61 3.49 5.04 -1.26 -0.92 117.35 125.15 1bth s TYR 23 Ca -0.05 1.05 -0.21 0.00 -2.44 0.00 0.00 57.07 55.42 1bth s TYR 23 Cb -0.09 -3.43 0.08 0.00 0.35 0.00 0.00 41.96 38.87 1bth s TYR 23 CO 0.01 -0.64 0.84 1.21 -1.34 0.00 0.00 175.55 175.63 1bth s ASN 24 N 1.59 6.20 0.11 4.32 3.84 0.67 -4.80 114.94 126.87 1bth s ASN 24 Ca 0.39 -1.06 -0.32 0.00 0.21 0.00 0.00 52.86 52.08 1bth s ASN 24 Cb -0.13 -2.37 -0.11 0.00 -0.55 0.00 0.00 41.25 38.09 1bth s ASN 24 CO 0.13 -1.26 1.59 0.00 -2.79 0.00 0.00 177.10 174.77 1bth h ALA 25 N 9.36 -0.79 -0.88 1.71 0.00 -1.82 0.48 119.26 127.32 1bth h ALA 25 Ca -0.29 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 54.75 1bth h ALA 25 Cb 1.08 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 1bth h ALA 25 CO 1.12 -1.01 0.35 0.87 0.00 0.00 0.00 179.25 180.58 1bth h LYS 26 N -0.69 0.35 0.00 0.00 1.57 -1.95 0.22 116.57 116.06 1bth h LYS 26 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bth h LYS 26 Cb 0.70 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1bth h LYS 26 CO -0.22 0.23 -0.63 0.00 -0.57 0.00 0.00 179.45 178.26 1bth h ALA 27 N 1.71 0.67 -0.26 3.86 0.00 -1.92 -3.47 119.26 119.84 1bth h ALA 27 Ca 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 1bth h ALA 27 Cb 1.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1bth h ALA 27 CO -0.54 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.02 1bth n GLY 28 N 1.19 0.79 3.09 0.00 0.00 0.16 -5.01 105.19 105.41 1bth n GLY 28 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 1bth n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bth s LEU 29 N -1.23 2.32 0.06 0.99 2.34 -0.90 -4.89 118.68 117.38 1bth s LEU 29 Ca 0.00 -0.89 -0.23 0.00 0.06 0.00 0.00 54.13 53.07 1bth s LEU 29 Cb 0.00 0.30 -0.06 0.00 -0.56 0.00 0.00 46.19 45.86 1bth s LEU 29 CO 0.00 -0.58 0.69 0.00 -1.06 0.00 0.00 176.35 175.40 1bth s GLN 31 N -0.48 1.90 0.05 0.00 -0.21 -0.09 -4.91 119.66 115.91 1bth s GLN 31 Ca 0.35 -2.13 -0.00 0.00 0.02 0.00 0.00 55.36 53.59 1bth s GLN 31 Cb -0.20 -0.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.86 1bth s GLN 31 CO 0.22 -0.34 0.20 0.95 -2.12 0.00 0.00 175.29 174.19 1bth s THR 32 N -3.15 5.38 0.16 -0.19 -4.23 -1.26 -0.49 115.64 111.87 1bth s THR 32 Ca 0.25 -0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1bth s THR 32 Cb 0.05 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1bth s THR 32 CO 0.13 0.17 0.29 0.72 -0.54 0.00 0.00 174.62 175.39 1bth s PHE 33 N -1.48 0.35 -0.35 3.99 -0.71 0.33 -4.91 117.98 115.20 1bth s PHE 33 Ca 0.34 -0.72 -0.21 0.00 -1.04 0.00 0.00 56.93 55.30 1bth s PHE 33 Cb -0.13 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 1bth s PHE 33 CO 0.26 -0.72 0.65 0.08 -1.34 0.00 0.00 175.22 174.16 1bth s VAL 34 N -3.95 4.88 -0.02 -2.49 1.01 -1.26 -0.71 120.40 117.85 1bth s VAL 34 Ca 0.16 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 1bth s VAL 34 Cb 0.03 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1bth s VAL 34 CO -0.01 -0.30 0.25 -0.47 0.00 0.00 0.00 175.10 174.57 1bth s TYR 35 N 2.74 3.60 -0.47 5.22 5.04 0.98 -4.17 117.35 130.29 1bth s TYR 35 Ca 0.25 0.60 0.24 0.00 -2.44 0.00 0.00 57.07 55.72 1bth s TYR 35 Cb -0.14 -2.00 0.37 0.00 0.35 0.00 0.00 41.96 40.53 1bth s TYR 35 CO 0.14 0.65 1.52 0.78 -1.34 0.00 0.00 175.55 177.30 1bth h GLY 36 N 4.28 0.00 0.00 8.97 0.00 0.34 -1.47 103.07 115.18 1bth h GLY 36 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1bth h GLY 36 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 1bth n GLY 37 N 1.17 0.63 3.50 4.60 0.00 -1.26 -1.63 105.19 112.21 1bth n GLY 37 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1bth n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bth n ARG 39 N 1.20 -5.78 -2.28 0.00 1.74 -1.26 -4.47 116.66 105.81 1bth n ARG 39 Ca -0.19 0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 57.39 1bth n ARG 39 Cb 0.57 -5.76 -0.01 0.00 -1.02 0.00 0.00 32.46 26.23 1bth n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bth s ALA 40 N -3.35 2.82 0.56 7.54 0.00 -1.26 -4.74 121.76 123.32 1bth s ALA 40 Ca 0.07 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1bth s ALA 40 Cb -0.01 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1bth s ALA 40 CO 0.71 -0.55 0.71 0.15 0.00 0.00 0.00 175.76 176.77 1bth s LYS 41 N -3.72 2.32 0.18 0.00 1.02 -1.26 -5.05 119.74 113.23 1bth s LYS 41 Ca 0.65 -1.69 -0.07 0.00 0.02 0.00 0.00 55.97 54.88 1bth s LYS 41 Cb -0.16 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.67 1bth s LYS 41 CO 0.29 -0.78 1.52 0.00 -0.92 0.00 0.00 175.35 175.46 1bth h ARG 42 N 0.31 0.76 -4.76 1.68 2.47 -1.97 -3.35 114.38 109.51 1bth h ARG 42 Ca -0.32 -0.41 -0.58 0.00 -1.26 0.00 0.00 59.98 57.41 1bth h ARG 42 Cb 1.29 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.64 1bth h ARG 42 CO 0.44 1.03 2.09 -1.71 0.56 0.00 0.00 179.97 182.39 1bth n ASN 43 N -4.03 2.98 -3.15 7.04 5.15 -1.26 -4.58 115.26 117.41 1bth n ASN 43 Ca -0.02 -2.72 0.04 0.00 -0.60 0.00 0.00 54.58 51.28 1bth n ASN 43 Cb 0.55 -1.37 -0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1bth n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bth s ASN 44 N 5.10 -1.48 0.24 1.20 3.84 -1.25 -4.64 114.94 117.93 1bth s ASN 44 Ca 0.59 0.36 0.12 0.00 0.21 0.00 0.00 52.86 54.13 1bth s ASN 44 Cb 0.10 2.02 -0.05 0.00 -0.55 0.00 0.00 41.25 42.77 1bth s ASN 44 CO 0.10 -0.27 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.56 1bth s PHE 45 N 2.85 2.27 0.27 0.43 0.40 0.15 -4.93 117.98 119.42 1bth s PHE 45 Ca 0.13 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1bth s PHE 45 Cb -0.11 -1.04 0.39 0.00 0.51 0.00 0.00 43.02 42.77 1bth s PHE 45 CO -0.24 0.61 1.67 -0.22 0.70 0.00 0.00 175.22 177.74 1bth h LYS 46 N 2.68 0.33 -3.49 0.44 3.64 -1.95 0.13 116.57 118.34 1bth h LYS 46 Ca -0.43 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 58.75 1bth h LYS 46 Cb 1.24 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 1bth h LYS 46 CO 0.55 0.69 -0.07 -1.54 -2.27 0.00 0.00 179.45 176.80 1bth s SER 47 N -6.87 -0.16 0.39 4.20 1.04 -1.26 -4.77 113.70 106.27 1bth s SER 47 Ca -0.05 -0.64 0.10 0.00 0.48 0.00 0.00 55.95 55.83 1bth s SER 47 Cb 0.13 0.55 0.78 0.00 0.10 0.00 0.00 66.02 67.58 1bth s SER 47 CO 0.79 -1.03 1.90 0.00 0.98 0.00 0.00 173.24 175.87 1bth h ALA 48 N 2.29 1.49 0.15 5.32 0.00 -1.95 -1.34 119.26 125.22 1bth h ALA 48 Ca -0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bth h ALA 48 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1bth h ALA 48 CO 0.39 0.36 -0.24 0.93 0.00 0.00 0.00 179.25 180.70 1bth h GLU 49 N 0.18 -0.40 -0.50 0.00 3.07 -1.99 0.21 114.58 115.15 1bth h GLU 49 Ca 0.03 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.98 1bth h GLU 49 Cb 0.42 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1bth h GLU 49 CO 0.03 -0.27 0.33 -0.44 -1.40 0.00 0.00 179.01 177.27 1bth h ASP 50 N -0.41 0.39 0.87 1.42 3.32 -1.95 0.04 116.42 120.10 1bth h ASP 50 Ca -0.02 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1bth h ASP 50 Cb 0.38 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.85 1bth h ASP 50 CO -0.07 0.26 -0.42 0.00 -1.72 0.00 0.00 179.24 177.29 1bth h MET 52 N -1.19 0.89 -0.84 0.00 2.86 -0.30 0.63 114.93 116.99 1bth h MET 52 Ca -0.12 -0.09 0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1bth h MET 52 Cb 0.90 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.31 1bth h MET 52 CO 0.20 0.65 0.55 -0.09 1.06 0.00 0.00 176.91 179.28 1bth h ARG 53 N 0.89 0.55 0.00 1.72 2.43 -0.97 1.12 114.38 120.11 1bth h ARG 53 Ca 0.23 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 59.12 1bth h ARG 53 Cb -0.00 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1bth h ARG 53 CO -0.04 0.36 -1.35 2.41 -1.51 0.00 0.00 179.97 179.84 1bth n THR 54 N -4.53 1.53 -0.13 0.20 -1.04 -0.43 -4.60 114.28 105.29 1bth n THR 54 Ca 0.16 -0.05 0.10 0.00 -2.04 0.00 0.00 64.05 62.22 1bth n THR 54 Cb 0.50 -2.04 0.25 0.00 -1.82 0.00 0.00 70.33 67.23 1bth n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bth n GLY 56 N 1.33 -0.05 0.03 0.00 0.00 0.39 -3.97 105.19 102.91 1bth n GLY 56 Ca 0.20 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1bth n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bth n GLY 57 N 6.18 -0.97 0.00 -0.02 0.00 -1.26 -4.23 105.19 104.88 1bth n GLY 57 Ca 0.47 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1bth n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32