#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1taw h VAL 4 N 0.00 1.29 0.00 2.62 -1.51 -1.99 -3.10 116.25 113.57 1taw h VAL 4 Ca 0.00 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1taw h VAL 4 Cb 0.00 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1taw h VAL 4 CO 0.00 0.43 0.00 0.00 -1.23 0.00 0.00 177.57 176.77 1taw n SER 6 N -1.35 0.85 -4.77 0.00 3.41 -1.17 -4.62 113.62 105.96 1taw n SER 6 Ca 0.07 -0.82 -0.37 0.00 -0.26 0.00 0.00 58.87 57.49 1taw n SER 6 Cb 0.16 1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 65.21 1taw n SER 6 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1taw s GLU 7 N -2.85 4.00 0.67 4.33 0.41 -1.10 -5.01 118.70 119.15 1taw s GLU 7 Ca 0.05 1.73 -0.14 0.00 -0.41 0.00 0.00 54.97 56.20 1taw s GLU 7 Cb 0.14 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 1taw s GLU 7 CO 0.78 -0.33 1.10 -0.65 -0.49 0.00 0.00 175.26 175.66 1taw s GLN 8 N -2.46 2.79 0.05 1.61 -0.21 -1.26 -4.88 119.66 115.31 1taw s GLN 8 Ca 0.59 1.30 -0.31 0.00 0.02 0.00 0.00 55.36 56.97 1taw s GLN 8 Cb -0.28 -1.96 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 1taw s GLN 8 CO 0.34 -1.24 1.50 0.00 -2.12 0.00 0.00 175.29 173.78 1taw s ALA 9 N -2.49 3.63 -0.15 6.09 0.00 -1.26 -4.91 121.76 122.67 1taw s ALA 9 Ca 0.65 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1taw s ALA 9 Cb -0.19 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 1taw s ALA 9 CO 0.44 -0.94 -0.16 -1.21 0.00 0.00 0.00 175.76 173.90 1taw s GLU 10 N 2.24 3.21 0.10 0.00 2.02 -1.26 -5.01 118.70 119.99 1taw s GLU 10 Ca 0.68 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.79 1taw s GLU 10 Cb -0.36 -2.62 -0.14 0.00 0.10 0.00 0.00 34.13 31.11 1taw s GLU 10 CO 0.29 0.01 1.33 1.15 0.02 0.00 0.00 175.26 178.07 1taw h THR 11 N 5.67 1.28 0.00 3.63 2.02 -1.95 -3.43 112.91 120.14 1taw h THR 11 Ca -0.33 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1taw h THR 11 Cb 1.19 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1taw h THR 11 CO 0.57 0.60 0.00 0.61 0.37 0.00 0.00 175.52 177.67 1taw n GLY 12 N 0.60 -0.30 0.11 2.16 0.00 -1.26 -0.19 105.19 106.30 1taw n GLY 12 Ca -0.07 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.31 1taw n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1taw h PRO 13 N 0.00 0.00 -7.21 1.61 0.13 -1.95 -3.44 132.00 121.14 1taw h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1taw h PRO 13 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1taw h PRO 13 CO 0.00 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.15 1taw n ARG 15 N -2.16 2.41 -2.69 0.00 1.74 -1.22 -4.32 116.66 110.42 1taw n ARG 15 Ca 0.09 -3.26 -0.21 0.00 -0.77 0.00 0.00 57.85 53.69 1taw n ARG 15 Cb 0.53 -2.13 0.06 0.00 -1.02 0.00 0.00 32.46 29.90 1taw n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1taw s ALA 16 N -3.47 3.97 -0.49 7.54 0.00 -0.36 -5.04 121.76 123.91 1taw s ALA 16 Ca 0.55 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1taw s ALA 16 Cb 0.46 -1.95 0.17 0.00 0.00 0.00 0.00 23.12 21.81 1taw s ALA 16 CO 0.04 -0.97 0.39 0.00 0.00 0.00 0.00 175.76 175.23 1taw n MET 17 N -2.46 0.68 -3.47 0.00 0.00 -1.25 -4.02 117.12 106.61 1taw n MET 17 Ca 0.11 -3.55 -0.38 0.00 0.00 0.00 0.00 57.70 53.88 1taw n MET 17 Cb 0.60 -1.83 -0.08 0.00 0.00 0.00 0.00 33.22 31.91 1taw n MET 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1taw s ILE 18 N -0.44 5.24 -0.12 3.17 1.01 -0.40 -4.85 121.20 124.81 1taw s ILE 18 Ca 0.31 0.53 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 1taw s ILE 18 Cb 0.02 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1taw s ILE 18 CO -0.19 0.26 1.56 -0.55 0.00 0.00 0.00 174.94 176.03 1taw s SER 19 N 1.15 6.65 0.37 3.58 0.15 -1.26 0.24 113.70 124.57 1taw s SER 19 Ca 0.15 1.96 0.04 0.00 0.70 0.00 0.00 55.95 58.79 1taw s SER 19 Cb -0.15 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 1taw s SER 19 CO 0.07 -0.98 0.13 -0.13 1.20 0.00 0.00 173.24 173.53 1taw s ARG 20 N 4.10 1.80 0.09 5.44 1.81 0.33 -4.94 118.95 127.59 1taw s ARG 20 Ca 0.69 -2.07 0.08 0.00 -1.72 0.00 0.00 55.73 52.71 1taw s ARG 20 Cb -0.29 -0.49 -0.03 0.00 -0.45 0.00 0.00 34.95 33.69 1taw s ARG 20 CO 0.26 -0.44 -0.21 -1.58 -0.68 0.00 0.00 175.30 172.66 1taw s TRP 21 N -3.33 1.80 0.05 -0.53 0.52 0.29 -0.34 118.94 117.40 1taw s TRP 21 Ca 0.29 -0.41 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 1taw s TRP 21 Cb 0.04 -1.01 -0.02 0.00 -1.15 0.00 0.00 33.47 31.34 1taw s TRP 21 CO 0.16 0.18 0.07 1.52 0.02 0.00 0.00 176.95 178.90 1taw s TYR 22 N -1.08 0.28 -0.23 -1.98 1.13 -0.41 -0.07 117.35 114.99 1taw s TYR 22 Ca 0.07 -0.65 -0.20 0.00 -1.41 0.00 0.00 57.07 54.88 1taw s TYR 22 Cb -0.10 -0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1taw s TYR 22 CO 0.04 -0.38 0.58 0.12 -2.51 0.00 0.00 175.55 173.40 1taw s PHE 23 N -2.99 3.33 -0.41 -3.49 5.36 -1.26 -0.73 117.98 117.79 1taw s PHE 23 Ca -0.02 0.81 -0.18 0.00 -0.96 0.00 0.00 56.93 56.58 1taw s PHE 23 Cb 0.01 -2.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.94 1taw s PHE 23 CO -0.06 -0.22 0.48 0.34 -1.46 0.00 0.00 175.22 174.30 1taw s ASP 24 N 1.33 6.23 0.37 6.13 2.15 0.15 -4.79 116.67 128.25 1taw s ASP 24 Ca 0.25 -0.52 0.08 0.00 0.43 0.00 0.00 52.55 52.80 1taw s ASP 24 Cb -0.16 -2.25 0.74 0.00 -0.30 0.00 0.00 42.92 40.96 1taw s ASP 24 CO 0.09 -0.60 1.91 -0.37 -0.17 0.00 0.00 175.17 176.04 1taw h VAL 25 N 5.74 1.18 0.06 1.11 -1.51 -1.83 0.32 116.25 121.31 1taw h VAL 25 Ca -0.27 -0.74 -0.00 0.00 -1.23 0.00 0.00 66.70 64.46 1taw h VAL 25 Cb 1.11 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1taw h VAL 25 CO 0.81 0.24 -0.03 0.74 -1.23 0.00 0.00 177.57 178.10 1taw h THR 26 N 0.32 1.13 0.00 7.19 2.02 -1.94 -3.03 112.91 118.60 1taw h THR 26 Ca 0.07 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1taw h THR 26 Cb 0.34 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1taw h THR 26 CO 0.02 0.16 -0.06 -0.33 0.37 0.00 0.00 175.52 175.67 1taw h GLU 27 N -0.35 0.00 -1.27 6.66 3.07 -1.97 -3.47 114.58 117.24 1taw h GLU 27 Ca -0.01 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.63 1taw h GLU 27 Cb 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1taw h GLU 27 CO 0.01 0.00 -0.26 0.41 -1.40 0.00 0.00 179.01 177.77 1taw n GLY 28 N 1.25 0.27 3.70 -3.84 0.00 0.11 -4.99 105.19 101.69 1taw n GLY 28 Ca 0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1taw n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1taw s LYS 29 N -4.10 1.72 0.20 1.61 -2.85 -1.01 -4.97 119.74 110.34 1taw s LYS 29 Ca 0.00 -1.22 -0.28 0.00 -1.00 0.00 0.00 55.97 53.48 1taw s LYS 29 Cb 0.00 0.53 -0.08 0.00 -2.06 0.00 0.00 37.83 36.22 1taw s LYS 29 CO 0.00 -0.75 0.86 0.00 0.10 0.00 0.00 175.35 175.56 1taw s ALA 31 N -1.14 1.15 0.46 0.00 0.00 0.09 -4.90 121.76 117.43 1taw s ALA 31 Ca 0.39 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1taw s ALA 31 Cb -0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1taw s ALA 31 CO 0.29 0.03 0.81 -1.25 0.00 0.00 0.00 175.76 175.64 1taw s PRO 32 N -2.46 3.66 0.18 0.00 0.04 -1.26 -1.29 135.00 133.87 1taw s PRO 32 Ca 0.03 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.31 1taw s PRO 32 Cb -0.05 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1taw s PRO 32 CO 0.01 -0.17 0.47 -0.59 0.04 0.00 0.00 177.00 176.76 1taw s PHE 33 N -2.62 -0.08 -0.29 0.56 -0.71 0.54 -4.91 117.98 110.47 1taw s PHE 33 Ca 0.50 -0.26 -0.12 0.00 -1.04 0.00 0.00 56.93 56.01 1taw s PHE 33 Cb -0.10 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1taw s PHE 33 CO 0.39 -0.85 0.24 -0.06 -1.34 0.00 0.00 175.22 173.60 1taw s PHE 34 N -3.87 3.22 -0.12 3.49 0.08 -1.26 -0.51 117.98 119.02 1taw s PHE 34 Ca 0.09 0.11 -0.10 0.00 0.12 0.00 0.00 56.93 57.16 1taw s PHE 34 Cb 0.00 -2.44 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1taw s PHE 34 CO -0.05 -0.22 0.20 -0.47 -0.10 0.00 0.00 175.22 174.59 1taw s TYR 35 N 1.82 3.57 -0.02 0.36 5.04 0.14 -4.58 117.35 123.68 1taw s TYR 35 Ca 0.09 0.58 0.32 0.00 -2.44 0.00 0.00 57.07 55.61 1taw s TYR 35 Cb -0.16 -2.08 1.35 0.00 0.35 0.00 0.00 41.96 41.41 1taw s TYR 35 CO 0.11 0.59 1.93 0.78 -1.34 0.00 0.00 175.55 177.62 1taw h GLY 36 N 5.42 0.00 0.00 8.97 0.00 -0.71 -1.05 103.07 115.70 1taw h GLY 36 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1taw h GLY 36 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 1taw n GLY 37 N -0.10 1.40 3.30 4.60 0.00 -1.26 -1.22 105.19 111.91 1taw n GLY 37 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1taw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1taw n GLY 39 N 0.18 1.32 6.54 0.00 0.00 -1.26 -4.17 105.19 107.79 1taw n GLY 39 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1taw n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1taw n GLY 40 N 0.00 -0.78 0.09 -0.02 0.00 -1.26 -4.90 105.19 98.32 1taw n GLY 40 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 1taw n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1taw n ASN 41 N 0.62 0.79 0.08 1.61 0.23 -1.26 -5.04 115.26 112.28 1taw n ASN 41 Ca 0.00 -1.06 0.13 0.00 -0.53 0.00 0.00 54.58 53.12 1taw n ASN 41 Cb 0.00 0.03 0.46 0.00 -2.08 0.00 0.00 39.78 38.19 1taw n ASN 41 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1taw n ARG 42 N -0.02 0.19 -2.06 -3.83 1.74 -1.26 -4.17 116.66 107.25 1taw n ARG 42 Ca -0.00 0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 1taw n ARG 42 Cb 0.02 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1taw n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1taw n ASN 43 N -2.06 4.78 -3.26 0.55 5.15 -1.25 -4.72 115.26 114.45 1taw n ASN 43 Ca 0.06 -2.99 -0.05 0.00 -0.60 0.00 0.00 54.58 51.00 1taw n ASN 43 Cb 0.39 -1.55 -0.05 0.00 -0.53 0.00 0.00 39.78 38.04 1taw n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1taw s ASN 44 N 1.79 -0.31 0.15 1.20 3.84 -1.24 -4.46 114.94 115.91 1taw s ASN 44 Ca 0.44 0.13 0.10 0.00 0.21 0.00 0.00 52.86 53.73 1taw s ASN 44 Cb 0.12 1.46 -0.04 0.00 -0.55 0.00 0.00 41.25 42.23 1taw s ASN 44 CO -0.04 -0.31 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.37 1taw s PHE 45 N 2.65 2.14 0.14 0.43 0.08 0.89 -4.91 117.98 119.40 1taw s PHE 45 Ca 0.13 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.65 1taw s PHE 45 Cb -0.13 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.22 1taw s PHE 45 CO -0.24 0.37 1.62 -0.44 -0.10 0.00 0.00 175.22 176.43 1taw h ASP 46 N 3.57 0.78 -3.82 1.36 3.32 -1.93 0.85 116.42 120.56 1taw h ASP 46 Ca -0.47 -0.28 -0.38 0.00 0.02 0.00 0.00 57.03 55.92 1taw h ASP 46 Cb 1.19 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 1taw h ASP 46 CO 0.44 0.86 -0.67 0.42 -1.72 0.00 0.00 179.24 178.57 1taw s THR 47 N -5.12 1.13 0.27 0.35 -4.23 -1.26 -4.70 115.64 102.07 1taw s THR 47 Ca -0.13 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1taw s THR 47 Cb 0.11 -2.22 0.07 0.00 1.34 0.00 0.00 72.50 71.80 1taw s THR 47 CO 0.80 -0.43 1.72 -0.08 -0.54 0.00 0.00 174.62 176.09 1taw h GLU 48 N 2.54 0.57 -0.62 3.99 4.81 -1.97 -2.53 114.58 121.37 1taw h GLU 48 Ca -0.38 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 1taw h GLU 48 Cb 1.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1taw h GLU 48 CO 0.64 0.74 0.20 0.93 -0.73 0.00 0.00 179.01 180.80 1taw h GLU 49 N 0.51 0.96 -0.39 1.92 3.07 -1.99 -0.83 114.58 117.83 1taw h GLU 49 Ca 0.08 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 1taw h GLU 49 Cb 0.64 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1taw h GLU 49 CO 0.05 0.84 -0.04 -0.92 -1.40 0.00 0.00 179.01 177.54 1taw h TYR 50 N 0.88 0.79 -0.33 4.33 5.03 -1.94 -0.88 116.97 124.85 1taw h TYR 50 Ca 0.20 -0.15 0.04 0.00 2.58 0.00 0.00 58.73 61.40 1taw h TYR 50 Cb 0.28 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.32 1taw h TYR 50 CO 0.02 0.82 0.11 0.00 -1.32 0.00 0.00 178.16 177.79 1taw h MET 52 N 0.26 0.71 -0.15 0.00 2.86 -0.96 0.60 114.93 118.25 1taw h MET 52 Ca 0.15 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1taw h MET 52 Cb 0.12 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1taw h MET 52 CO -0.15 0.74 -0.05 0.00 1.06 0.00 0.00 176.91 178.50 1taw h ALA 53 N 1.32 1.63 0.05 6.32 0.00 -0.57 0.19 119.26 128.19 1taw h ALA 53 Ca 0.13 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 1taw h ALA 53 Cb 0.43 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1taw h ALA 53 CO 0.02 0.28 -2.26 0.28 0.00 0.00 0.00 179.25 177.57 1taw n VAL 54 N -4.35 1.59 0.01 0.00 0.31 -0.80 -4.75 118.33 110.35 1taw n VAL 54 Ca -0.01 -0.64 0.04 0.00 -0.01 0.00 0.00 64.34 63.73 1taw n VAL 54 Cb 0.21 -1.44 -0.07 0.00 -0.91 0.00 0.00 33.84 31.63 1taw n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51