#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdu n SER 3 N 0.00 3.52 -4.77 4.04 2.88 -1.26 -4.65 113.62 113.38 3bdu n SER 3 Ca 0.00 1.22 -0.33 0.00 -1.33 0.00 0.00 58.87 58.43 3bdu n SER 3 Cb 0.00 -1.58 0.05 0.00 -0.75 0.00 0.00 64.21 61.93 3bdu n SER 3 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3bdu s ASN 4 N -0.14 5.06 0.20 -3.46 -0.87 -1.24 -4.22 114.94 110.26 3bdu s ASN 4 Ca 0.54 1.94 0.10 0.00 -1.57 0.00 0.00 52.86 53.87 3bdu s ASN 4 Cb -0.50 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.14 3bdu s ASN 4 CO 0.63 -1.66 -0.21 -0.31 -2.57 0.00 0.00 177.10 172.97 3bdu s TYR 5 N -2.48 2.09 -0.13 2.20 2.02 -0.09 0.33 117.35 121.29 3bdu s TYR 5 Ca 0.65 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 3bdu s TYR 5 Cb -0.19 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 3bdu s TYR 5 CO 0.44 0.46 -0.19 0.08 -1.57 0.00 0.00 175.55 174.77 3bdu s VAL 6 N -2.01 1.85 0.02 0.71 1.01 -0.25 -0.73 120.40 120.99 3bdu s VAL 6 Ca 0.20 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3bdu s VAL 6 Cb -0.06 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3bdu s VAL 6 CO 0.09 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 174.93 3bdu s LEU 7 N 0.91 3.43 -0.13 3.92 1.02 0.12 -1.06 118.68 126.89 3bdu s LEU 7 Ca -0.06 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.04 3bdu s LEU 7 Cb -0.15 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.05 3bdu s LEU 7 CO -0.03 0.25 -0.22 -1.00 0.02 0.00 0.00 176.35 175.37 3bdu s HIS 8 N -1.12 2.63 0.44 0.29 3.76 0.19 -0.03 115.29 121.45 3bdu s HIS 8 Ca 0.21 -1.26 0.05 0.00 -0.15 0.00 0.00 55.06 53.90 3bdu s HIS 8 Cb -0.11 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.80 3bdu s HIS 8 CO 0.12 -0.56 0.62 0.95 -0.85 0.00 0.00 174.74 175.01 3bdu s THR 9 N 0.69 3.26 -0.74 1.30 -4.23 -0.37 -0.78 115.64 114.76 3bdu s THR 9 Ca -0.10 -0.85 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 3bdu s THR 9 Cb -0.16 -3.14 0.23 0.00 1.34 0.00 0.00 72.50 70.76 3bdu s THR 9 CO 0.01 -0.07 1.71 0.59 -0.54 0.00 0.00 174.62 176.31 3bdu n ASN 10 N -1.97 0.45 -0.05 3.99 3.02 0.09 -1.96 115.26 118.83 3bdu n ASN 10 Ca 0.05 0.58 0.15 0.00 -0.03 0.00 0.00 54.58 55.33 3bdu n ASN 10 Cb 0.59 -0.69 0.74 0.00 -0.61 0.00 0.00 39.78 39.81 3bdu n ASN 10 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bdu n ASP 11 N -1.96 0.20 0.00 6.41 2.03 -1.26 -4.89 116.55 117.07 3bdu n ASP 11 Ca 0.04 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.86 3bdu n ASP 11 Cb 0.28 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 3bdu n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bdu n GLY 12 N 1.23 0.75 3.85 0.27 0.00 -0.83 -5.06 105.19 105.41 3bdu n GLY 12 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3bdu n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdu s ARG 13 N -0.51 3.94 -0.17 1.61 0.52 -1.26 -4.86 118.95 118.22 3bdu s ARG 13 Ca 0.00 0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 55.86 3bdu s ARG 13 Cb 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 33.09 3bdu s ARG 13 CO 0.00 0.05 -0.14 0.99 0.02 0.00 0.00 175.30 176.22 3bdu s THR 14 N -2.17 2.71 -0.05 0.02 2.01 -1.26 -1.24 115.64 115.66 3bdu s THR 14 Ca 0.54 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.85 3bdu s THR 14 Cb -0.10 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3bdu s THR 14 CO 0.23 0.50 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.82 3bdu s ILE 15 N 1.04 1.70 -0.22 1.82 1.01 0.96 -4.95 121.20 122.56 3bdu s ILE 15 Ca -0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3bdu s ILE 15 Cb -0.15 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3bdu s ILE 15 CO -0.03 0.48 0.13 0.68 0.00 0.00 0.00 174.94 176.20 3bdu s VAL 16 N -0.04 5.20 0.05 2.92 -7.23 -1.26 0.11 120.40 120.15 3bdu s VAL 16 Ca -0.04 0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.30 3bdu s VAL 16 Cb -0.13 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 3bdu s VAL 16 CO 0.03 0.39 -0.04 0.00 -0.31 0.00 0.00 175.10 175.17 3bdu s ALA 17 N 0.77 3.13 0.27 1.32 0.00 0.09 -2.70 121.76 124.63 3bdu s ALA 17 Ca 0.07 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3bdu s ALA 17 Cb -0.13 -1.13 0.35 0.00 0.00 0.00 0.00 23.12 22.21 3bdu s ALA 17 CO 0.02 0.65 1.62 0.93 0.00 0.00 0.00 175.76 178.98 3bdu h GLU 18 N 3.97 0.14 0.00 0.00 5.08 -1.08 -0.21 114.58 122.49 3bdu h GLU 18 Ca -0.48 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 57.59 3bdu h GLU 18 Cb 1.17 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 3bdu h GLU 18 CO 0.56 0.67 -0.18 0.41 -1.00 0.00 0.00 179.01 179.47 3bdu n GLY 19 N 0.14 3.67 3.67 -3.84 0.00 -1.26 -3.70 105.19 103.87 3bdu n GLY 19 Ca -0.02 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3bdu n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdu s LYS 20 N -2.54 4.22 0.31 1.61 2.20 -1.26 -4.37 119.74 119.90 3bdu s LYS 20 Ca 0.12 2.06 -0.29 0.00 -0.36 0.00 0.00 55.97 57.50 3bdu s LYS 20 Cb 0.01 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.41 3bdu s LYS 20 CO 0.09 -0.75 1.30 -2.14 -0.36 0.00 0.00 175.35 173.49 3bdu s PRO 21 N 3.43 4.38 0.02 4.03 0.02 -1.26 -4.94 135.00 140.67 3bdu s PRO 21 Ca 0.68 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3bdu s PRO 21 Cb -0.31 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 3bdu s PRO 21 CO 0.26 -0.18 -0.03 0.15 -0.33 0.00 0.00 177.00 176.87 3bdu s LYS 22 N -1.50 0.32 0.26 5.54 1.02 -0.77 -4.92 119.74 119.69 3bdu s LYS 22 Ca 0.50 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 3bdu s LYS 22 Cb -0.39 0.05 -0.10 0.00 -0.52 0.00 0.00 37.83 36.87 3bdu s LYS 22 CO 0.50 -0.03 1.49 0.08 -0.92 0.00 0.00 175.35 176.46 3bdu s VAL 23 N -1.36 2.50 -0.31 3.17 1.01 -1.26 -0.59 120.40 123.56 3bdu s VAL 23 Ca -0.14 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 3bdu s VAL 23 Cb -0.09 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3bdu s VAL 23 CO -0.01 0.06 0.53 -0.62 0.00 0.00 0.00 175.10 175.07 3bdu s ASP 24 N 0.43 6.38 0.56 3.32 -1.08 -1.26 -4.84 116.67 120.19 3bdu s ASP 24 Ca 0.61 0.25 0.25 0.00 -0.52 0.00 0.00 52.55 53.14 3bdu s ASP 24 Cb -0.44 -2.28 1.53 0.00 -1.46 0.00 0.00 42.92 40.27 3bdu s ASP 24 CO 0.44 -0.41 2.10 0.44 0.52 0.00 0.00 175.17 178.27 3bdu h ASP 25 N 8.26 0.00 0.10 -0.34 5.19 -1.97 0.96 116.42 128.62 3bdu h ASP 25 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3bdu h ASP 25 Cb 1.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3bdu h ASP 25 CO 0.75 0.00 -0.08 -1.84 -3.12 0.00 0.00 179.24 174.96 3bdu n GLU 26 N -4.09 1.27 0.00 3.56 0.28 -1.26 -4.21 120.64 116.18 3bdu n GLU 26 Ca 0.02 -0.65 0.00 0.00 -0.16 0.00 0.00 57.16 56.37 3bdu n GLU 26 Cb 0.31 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.70 3bdu n GLU 26 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3bdu n THR 27 N -0.30 0.00 -2.14 3.84 -2.24 -0.68 -5.26 114.28 107.49 3bdu n THR 27 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3bdu n THR 27 Cb 0.32 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3bdu n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdu n GLY 28 N 2.34 0.68 3.26 3.38 0.00 0.25 -5.02 105.19 110.08 3bdu n GLY 28 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3bdu n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdu s ILE 30 N -2.94 3.09 -0.10 -0.61 1.01 0.53 -4.71 121.20 117.47 3bdu s ILE 30 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3bdu s ILE 30 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3bdu s ILE 30 CO 0.00 0.42 0.09 -0.55 0.00 0.00 0.00 174.94 174.90 3bdu s SER 31 N 1.43 5.94 0.30 3.58 0.15 0.24 -0.25 113.70 125.10 3bdu s SER 31 Ca 0.05 0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.84 3bdu s SER 31 Cb -0.14 -1.83 0.05 0.00 -1.71 0.00 0.00 66.02 62.39 3bdu s SER 31 CO -0.05 0.38 0.83 -0.72 1.20 0.00 0.00 173.24 174.88 3bdu s TYR 32 N -1.00 0.00 -0.10 3.44 1.13 -0.52 -1.84 117.35 118.46 3bdu s TYR 32 Ca 0.15 -0.54 0.03 0.00 -1.41 0.00 0.00 57.07 55.30 3bdu s TYR 32 Cb -0.12 0.76 0.01 0.00 -1.10 0.00 0.00 41.96 41.51 3bdu s TYR 32 CO 0.05 -1.30 -0.18 0.99 -2.51 0.00 0.00 175.55 172.59 3bdu s THR 33 N -2.82 1.69 1.02 -3.49 2.01 -1.26 -0.54 115.64 112.26 3bdu s THR 33 Ca 0.15 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 3bdu s THR 33 Cb -0.05 -1.51 0.21 0.00 0.01 0.00 0.00 72.50 71.17 3bdu s THR 33 CO 0.08 0.48 1.22 1.51 -0.69 0.00 0.00 174.62 177.22 3bdu s ASP 34 N 0.72 2.53 0.56 3.53 1.47 -0.48 -0.58 116.67 124.42 3bdu s ASP 34 Ca -0.11 0.52 0.24 0.00 1.18 0.00 0.00 52.55 54.38 3bdu s ASP 34 Cb -0.16 -0.73 1.55 0.00 -0.34 0.00 0.00 42.92 43.24 3bdu s ASP 34 CO 0.02 -3.12 2.16 0.00 0.68 0.00 0.00 175.17 174.91 3bdu h ALA 35 N -1.90 1.85 -0.01 2.11 0.00 -1.85 -0.08 119.26 119.38 3bdu h ALA 35 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3bdu h ALA 35 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3bdu h ALA 35 CO 0.42 -0.13 -0.07 0.66 0.00 0.00 0.00 179.25 180.13 3bdu n TYR 36 N -4.14 0.00 -0.52 0.00 4.01 -1.26 -4.92 117.16 110.33 3bdu n TYR 36 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3bdu n TYR 36 Cb 0.19 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3bdu n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdu n GLY 37 N 1.20 0.75 3.72 2.72 0.00 -0.04 -5.05 105.19 108.50 3bdu n GLY 37 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3bdu n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bdu s GLN 38 N -0.48 4.51 -0.09 1.61 0.74 -1.26 -4.78 119.66 119.91 3bdu s GLN 38 Ca 0.00 1.14 -0.30 0.00 0.05 0.00 0.00 55.36 56.26 3bdu s GLN 38 Cb 0.00 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 3bdu s GLN 38 CO 0.00 0.11 1.09 -0.65 -0.55 0.00 0.00 175.29 175.29 3bdu s GLN 39 N 0.54 4.38 0.26 1.67 -0.21 -1.26 -1.38 119.66 123.66 3bdu s GLN 39 Ca 0.43 1.50 0.05 0.00 0.02 0.00 0.00 55.36 57.36 3bdu s GLN 39 Cb -0.20 -3.56 -0.06 0.00 1.00 0.00 0.00 33.01 30.20 3bdu s GLN 39 CO 0.23 -0.39 -0.02 -0.65 -2.12 0.00 0.00 175.29 172.35 3bdu s GLN 40 N 2.17 1.45 -0.01 2.91 -1.52 0.30 -4.98 119.66 119.99 3bdu s GLN 40 Ca 0.51 -1.75 -0.02 0.00 -1.95 0.00 0.00 55.36 52.15 3bdu s GLN 40 Cb -0.21 -0.85 -0.00 0.00 -0.22 0.00 0.00 33.01 31.73 3bdu s GLN 40 CO 0.19 -0.06 0.04 -0.65 -0.25 0.00 0.00 175.29 174.56 3bdu s GLN 41 N -3.82 0.17 0.00 2.91 -0.21 -1.26 -1.43 119.66 116.03 3bdu s GLN 41 Ca 0.30 -0.15 0.01 0.00 0.02 0.00 0.00 55.36 55.54 3bdu s GLN 41 Cb 0.05 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 3bdu s GLN 41 CO 0.11 -0.03 -0.04 -1.50 -2.12 0.00 0.00 175.29 171.71 3bdu s ILE 42 N -0.51 0.30 0.19 1.08 2.07 0.65 -4.93 121.20 120.06 3bdu s ILE 42 Ca -0.06 -0.31 -0.31 0.00 -1.41 0.00 0.00 60.65 58.56 3bdu s ILE 42 Cb -0.04 -0.29 -0.10 0.00 0.13 0.00 0.00 42.46 42.16 3bdu s ILE 42 CO -0.00 -0.01 1.56 0.21 -1.91 0.00 0.00 174.94 174.79 3bdu s ASN 43 N -0.36 6.57 0.58 4.50 3.84 -1.26 -0.35 114.94 128.46 3bdu s ASN 43 Ca -0.01 2.66 0.27 0.00 0.21 0.00 0.00 52.86 56.00 3bdu s ASN 43 Cb -0.03 -2.60 1.65 0.00 -0.55 0.00 0.00 41.25 39.71 3bdu s ASN 43 CO -0.00 -0.82 2.15 -0.09 -2.79 0.00 0.00 177.10 175.55 3bdu h ARG 44 N 6.42 0.00 0.00 0.43 2.43 -1.95 0.31 114.38 122.02 3bdu h ARG 44 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3bdu h ARG 44 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3bdu h ARG 44 CO 0.89 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 179.10 3bdu n ASP 45 N -3.95 0.18 -0.89 -3.80 8.00 -1.26 -1.91 116.55 112.92 3bdu n ASP 45 Ca -0.00 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.15 3bdu n ASP 45 Cb 0.23 -0.58 0.10 0.00 -0.02 0.00 0.00 41.12 40.85 3bdu n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bdu n ASN 46 N -1.70 2.86 -4.55 -2.24 4.05 0.11 -4.87 115.26 108.93 3bdu n ASN 46 Ca 0.03 -1.91 -0.37 0.00 0.45 0.00 0.00 54.58 52.79 3bdu n ASN 46 Cb 0.20 -0.03 -0.11 0.00 1.23 0.00 0.00 39.78 41.06 3bdu n ASN 46 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3bdu s VAL 47 N -1.75 4.82 -0.13 3.44 1.01 -0.80 -0.74 120.40 126.26 3bdu s VAL 47 Ca 0.26 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 3bdu s VAL 47 Cb 0.18 -3.26 -0.25 0.00 0.00 0.00 0.00 36.38 33.05 3bdu s VAL 47 CO 0.27 0.33 0.43 0.50 0.00 0.00 0.00 175.10 176.64 3bdu h LYS 48 N 7.96 0.21 0.00 2.72 3.64 -1.22 -3.46 116.57 126.41 3bdu h LYS 48 Ca -0.37 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 3bdu h LYS 48 Cb 1.18 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3bdu h LYS 48 CO 0.60 1.17 0.00 -0.85 -2.27 0.00 0.00 179.45 178.10 3bdu n GLU 49 N -3.87 0.00 -3.56 1.90 0.28 -1.14 -5.03 120.64 109.22 3bdu n GLU 49 Ca -0.29 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.58 3bdu n GLU 49 Cb 0.91 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.72 3bdu n GLU 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3bdu s ALA 51 N -1.00 -1.88 -0.31 -1.84 0.00 -0.22 -0.64 121.76 115.87 3bdu s ALA 51 Ca 0.00 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 3bdu s ALA 51 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3bdu s ALA 51 CO 0.00 -0.33 0.99 0.21 0.00 0.00 0.00 175.76 176.63 3bdu s LYS 52 N -1.11 4.03 0.63 0.00 2.20 -1.26 -1.09 119.74 123.14 3bdu s LYS 52 Ca -0.05 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 3bdu s LYS 52 Cb -0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3bdu s LYS 52 CO 0.04 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 3bdu n GLY 53 N 3.96 -1.90 0.00 5.54 0.00 0.15 -4.96 105.19 107.98 3bdu n GLY 53 Ca 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3bdu n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49