#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdu s SER 3 N 0.00 6.40 -0.18 6.43 0.01 -1.26 -4.94 113.70 120.15 3bdu s SER 3 Ca 0.00 0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.13 3bdu s SER 3 Cb 0.00 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 3bdu s SER 3 CO 0.00 -0.65 0.30 0.20 0.41 0.00 0.00 173.24 173.50 3bdu s ASN 4 N 1.86 6.40 0.25 2.44 0.01 -1.26 0.66 114.94 125.30 3bdu s ASN 4 Ca 0.24 0.46 0.08 0.00 -0.71 0.00 0.00 52.86 52.93 3bdu s ASN 4 Cb -0.14 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 3bdu s ASN 4 CO 0.16 0.05 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.37 3bdu s TYR 5 N 0.74 1.94 -0.07 2.20 2.02 -0.54 0.08 117.35 123.72 3bdu s TYR 5 Ca 0.16 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3bdu s TYR 5 Cb -0.13 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 3bdu s TYR 5 CO 0.05 0.42 -0.07 0.08 -1.57 0.00 0.00 175.55 174.46 3bdu s VAL 6 N -2.87 0.78 -0.13 0.71 1.01 0.12 -0.58 120.40 119.44 3bdu s VAL 6 Ca 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 3bdu s VAL 6 Cb -0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3bdu s VAL 6 CO 0.11 0.29 0.07 -0.76 0.00 0.00 0.00 175.10 174.81 3bdu s LEU 7 N 1.16 3.96 -0.23 3.92 1.02 0.83 -1.11 118.68 128.23 3bdu s LEU 7 Ca -0.07 0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.29 3bdu s LEU 7 Cb -0.14 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 3bdu s LEU 7 CO -0.01 0.33 -0.02 -1.00 0.02 0.00 0.00 176.35 175.66 3bdu s HIS 8 N -0.55 3.00 0.62 0.29 3.76 -0.08 -0.39 115.29 121.94 3bdu s HIS 8 Ca 0.11 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.11 3bdu s HIS 8 Cb -0.12 -2.13 0.07 0.00 1.11 0.00 0.00 32.58 31.51 3bdu s HIS 8 CO 0.02 -0.54 0.86 0.95 -0.85 0.00 0.00 174.74 175.18 3bdu s THR 9 N 1.49 2.43 0.17 1.30 -4.23 -0.81 -0.39 115.64 115.60 3bdu s THR 9 Ca 0.05 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 3bdu s THR 9 Cb -0.15 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 70.99 3bdu s THR 9 CO -0.02 0.00 1.82 0.78 -0.54 0.00 0.00 174.62 176.66 3bdu h ASN 10 N -0.15 0.61 0.00 3.99 2.35 -1.23 -2.46 115.58 118.68 3bdu h ASN 10 Ca -0.39 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3bdu h ASN 10 Cb 1.28 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3bdu h ASN 10 CO 0.47 0.46 0.00 -0.90 -1.65 0.00 0.00 177.43 175.81 3bdu n ASP 11 N -4.71 0.07 0.00 5.81 5.68 -1.26 -4.85 116.55 117.29 3bdu n ASP 11 Ca 0.03 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 3bdu n ASP 11 Cb 0.03 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3bdu n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bdu n GLY 12 N 0.32 0.78 3.76 6.12 0.00 -0.93 -5.06 105.19 110.18 3bdu n GLY 12 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.45 2.07 -0.21 1.61 0.52 -1.26 -4.80 118.95 116.43 3bdu s ARG 13 Ca 0.00 1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 56.36 3bdu s ARG 13 Cb 0.00 -1.88 0.06 0.00 0.52 0.00 0.00 34.95 33.66 3bdu s ARG 13 CO 0.00 -1.77 0.00 0.99 0.02 0.00 0.00 175.30 174.54 3bdu s THR 14 N -2.89 0.94 -0.13 0.02 2.01 -1.26 -1.92 115.64 112.41 3bdu s THR 14 Ca 0.62 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 3bdu s THR 14 Cb -0.18 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 3bdu s THR 14 CO 0.56 -0.18 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.62 3bdu s ILE 15 N 1.66 3.68 -0.01 1.82 1.01 0.48 -4.93 121.20 124.92 3bdu s ILE 15 Ca -0.03 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 3bdu s ILE 15 Cb -0.18 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 3bdu s ILE 15 CO -0.08 0.52 0.71 -0.69 0.00 0.00 0.00 174.94 175.40 3bdu s VAL 16 N 0.13 4.89 -0.02 2.92 1.01 -1.26 -0.12 120.40 127.95 3bdu s VAL 16 Ca -0.02 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.50 3bdu s VAL 16 Cb -0.14 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3bdu s VAL 16 CO 0.03 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.28 3bdu s ALA 17 N 0.25 1.54 -0.48 5.51 0.00 0.25 -3.36 121.76 125.46 3bdu s ALA 17 Ca 0.37 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 3bdu s ALA 17 Cb -0.19 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.63 3bdu s ALA 17 CO 0.20 0.38 0.40 -1.21 0.00 0.00 0.00 175.76 175.52 3bdu s GLU 18 N -0.42 2.87 0.00 0.00 2.02 0.49 -1.46 118.70 122.20 3bdu s GLU 18 Ca 0.07 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.55 3bdu s GLU 18 Cb -0.07 -4.10 0.00 0.00 0.10 0.00 0.00 34.13 30.06 3bdu s GLU 18 CO -0.01 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.57 3bdu n GLY 19 N 5.14 2.56 3.68 -1.39 0.00 0.21 -4.37 105.19 111.02 3bdu n GLY 19 Ca -0.12 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.52 4.24 0.39 1.61 2.20 -1.26 -4.57 119.74 118.84 3bdu s LYS 20 Ca 0.00 2.06 -0.26 0.00 -0.36 0.00 0.00 55.97 57.41 3bdu s LYS 20 Cb 0.00 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 3bdu s LYS 20 CO 0.00 -0.68 1.26 -2.14 -0.36 0.00 0.00 175.35 173.44 3bdu s PRO 21 N 2.89 4.05 0.02 4.03 0.02 -1.26 -4.94 135.00 139.82 3bdu s PRO 21 Ca 0.67 2.07 -0.09 0.00 0.02 0.00 0.00 61.00 63.67 3bdu s PRO 21 Cb -0.33 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3bdu s PRO 21 CO 0.27 -0.39 0.18 0.15 -0.33 0.00 0.00 177.00 176.88 3bdu s LYS 22 N -2.18 0.61 0.29 5.54 1.02 -0.56 -4.92 119.74 119.54 3bdu s LYS 22 Ca 0.56 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.73 3bdu s LYS 22 Cb -0.36 0.25 -0.10 0.00 -0.52 0.00 0.00 37.83 37.10 3bdu s LYS 22 CO 0.46 -0.16 1.33 0.08 -0.92 0.00 0.00 175.35 176.14 3bdu s VAL 23 N -2.06 2.82 -0.40 3.17 1.01 -1.26 0.14 120.40 123.82 3bdu s VAL 23 Ca -0.09 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 3bdu s VAL 23 Cb -0.04 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.87 3bdu s VAL 23 CO -0.01 0.16 0.40 -0.62 0.00 0.00 0.00 175.10 175.03 3bdu s ASP 24 N -0.16 6.18 0.54 3.32 -1.08 -1.26 -4.83 116.67 119.37 3bdu s ASP 24 Ca 0.52 -0.59 0.36 0.00 -0.52 0.00 0.00 52.55 52.32 3bdu s ASP 24 Cb -0.39 -2.21 1.93 0.00 -1.46 0.00 0.00 42.92 40.78 3bdu s ASP 24 CO 0.48 -0.51 2.10 0.44 0.52 0.00 0.00 175.17 178.20 3bdu h ASP 25 N 8.65 0.00 0.86 -0.34 3.32 -1.95 0.53 116.42 127.49 3bdu h ASP 25 Ca -0.27 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 3bdu h ASP 25 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3bdu h ASP 25 CO 0.76 0.00 -0.81 -0.33 -1.72 0.00 0.00 179.24 177.14 3bdu h GLU 26 N 0.00 0.00 0.00 3.56 5.08 -2.03 -3.35 114.58 117.83 3bdu h GLU 26 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3bdu h GLU 26 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3bdu h GLU 26 CO 0.00 0.81 -1.71 0.25 -1.00 0.00 0.00 179.01 177.36 3bdu n THR 27 N -3.53 0.57 -1.79 1.13 -2.24 -0.61 -5.26 114.28 102.54 3bdu n THR 27 Ca -0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3bdu n THR 27 Cb 0.79 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 2.19 0.63 3.26 3.38 0.00 0.17 -5.02 105.19 109.80 3bdu n GLY 28 Ca -0.14 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.71 2.82 -0.13 -0.61 1.01 -0.16 -4.60 121.20 116.82 3bdu s ILE 30 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 3bdu s ILE 30 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3bdu s ILE 30 CO 0.00 0.49 0.12 -0.55 0.00 0.00 0.00 174.94 175.00 3bdu s SER 31 N 1.08 6.20 0.21 3.58 0.15 0.12 -0.68 113.70 124.37 3bdu s SER 31 Ca 0.00 0.39 -0.19 0.00 0.70 0.00 0.00 55.95 56.84 3bdu s SER 31 Cb -0.14 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.20 3bdu s SER 31 CO -0.03 0.37 0.59 -0.72 1.20 0.00 0.00 173.24 174.65 3bdu s TYR 32 N -0.79 -0.19 -0.18 3.44 1.13 -0.04 -1.50 117.35 119.22 3bdu s TYR 32 Ca 0.13 -0.16 -0.04 0.00 -1.41 0.00 0.00 57.07 55.60 3bdu s TYR 32 Cb -0.12 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.22 3bdu s TYR 32 CO 0.03 -1.00 -0.03 0.99 -2.51 0.00 0.00 175.55 173.03 3bdu s THR 33 N -3.87 3.71 1.02 -3.49 2.01 -1.26 0.00 115.64 113.76 3bdu s THR 33 Ca 0.09 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 3bdu s THR 33 Cb -0.02 -2.65 0.23 0.00 0.01 0.00 0.00 72.50 70.06 3bdu s THR 33 CO -0.01 0.46 1.30 1.51 -0.69 0.00 0.00 174.62 177.18 3bdu s ASP 34 N 0.84 2.59 0.00 3.53 1.47 -0.58 -0.38 116.67 124.15 3bdu s ASP 34 Ca -0.01 0.28 0.06 0.00 1.18 0.00 0.00 52.55 54.06 3bdu s ASP 34 Cb -0.15 -0.31 0.33 0.00 -0.34 0.00 0.00 42.92 42.46 3bdu s ASP 34 CO 0.02 -3.06 0.95 0.00 0.68 0.00 0.00 175.17 173.76 3bdu n ALA 35 N -3.99 1.58 -0.08 2.11 0.00 -1.21 -1.34 120.51 117.59 3bdu n ALA 35 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.59 3bdu n ALA 35 Cb 0.59 -1.10 0.07 0.00 0.00 0.00 0.00 19.45 19.02 3bdu n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bdu n TYR 36 N -1.16 0.22 -0.98 0.00 4.01 -1.26 -4.98 117.16 113.00 3bdu n TYR 36 Ca 0.04 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 3bdu n TYR 36 Cb 0.04 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.01 0.87 3.78 2.72 0.00 -0.45 -5.02 105.19 107.08 3bdu n GLY 37 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.02 4.38 -0.16 1.61 0.74 -1.26 -4.80 119.66 120.16 3bdu s GLN 38 Ca 0.00 0.91 -0.29 0.00 0.05 0.00 0.00 55.36 56.03 3bdu s GLN 38 Cb 0.00 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 3bdu s GLN 38 CO 0.00 0.49 1.10 -0.65 -0.55 0.00 0.00 175.29 175.68 3bdu s GLN 39 N -0.69 4.31 0.25 1.67 -0.21 -1.26 -1.52 119.66 122.20 3bdu s GLN 39 Ca 0.33 1.48 0.11 0.00 0.02 0.00 0.00 55.36 57.30 3bdu s GLN 39 Cb -0.20 -3.62 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 3bdu s GLN 39 CO 0.21 -0.53 -0.19 -0.65 -2.12 0.00 0.00 175.29 172.01 3bdu s GLN 40 N 2.78 1.56 -0.01 2.91 -1.52 0.10 -4.99 119.66 120.49 3bdu s GLN 40 Ca 0.49 -1.68 -0.01 0.00 -1.95 0.00 0.00 55.36 52.22 3bdu s GLN 40 Cb -0.19 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.98 3bdu s GLN 40 CO 0.13 0.31 0.03 -0.65 -0.25 0.00 0.00 175.29 174.86 3bdu s GLN 41 N -3.36 0.03 0.00 2.91 -0.21 -1.26 -0.86 119.66 116.91 3bdu s GLN 41 Ca 0.26 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.71 3bdu s GLN 41 Cb -0.05 0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 3bdu s GLN 41 CO 0.12 -0.01 -0.08 -1.50 -2.12 0.00 0.00 175.29 171.71 3bdu s ILE 42 N 0.06 0.58 0.21 1.08 2.07 0.15 -4.95 121.20 120.40 3bdu s ILE 42 Ca -0.00 -0.42 -0.32 0.00 -1.41 0.00 0.00 60.65 58.50 3bdu s ILE 42 Cb -0.01 -0.51 -0.13 0.00 0.13 0.00 0.00 42.46 41.95 3bdu s ILE 42 CO -0.00 0.09 1.64 -3.20 -1.91 0.00 0.00 174.94 171.56 3bdu n ASN 43 N 2.70 3.62 -0.26 4.50 2.85 -1.26 -0.99 115.26 126.43 3bdu n ASN 43 Ca -0.14 1.09 0.12 0.00 -0.11 0.00 0.00 54.58 55.54 3bdu n ASN 43 Cb 0.57 -1.53 0.39 0.00 1.24 0.00 0.00 39.78 40.45 3bdu n ASN 43 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3bdu h ARG 44 N 5.97 0.66 0.00 1.20 3.08 -1.95 0.52 114.38 123.86 3bdu h ARG 44 Ca -0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3bdu h ARG 44 Cb 1.23 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3bdu h ARG 44 CO 0.89 0.43 0.00 -0.25 -1.07 0.00 0.00 179.97 179.98 3bdu n ASP 45 N -4.55 0.53 -0.70 7.04 8.00 -1.26 -1.92 116.55 123.68 3bdu n ASP 45 Ca 0.17 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.45 3bdu n ASP 45 Cb 0.47 -0.76 0.24 0.00 -0.02 0.00 0.00 41.12 41.04 3bdu n ASP 45 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3bdu n ASN 46 N -2.11 2.27 -4.43 -2.24 3.02 0.17 -4.85 115.26 107.09 3bdu n ASN 46 Ca 0.01 -1.70 -0.37 0.00 -0.03 0.00 0.00 54.58 52.50 3bdu n ASN 46 Cb 0.17 0.07 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 3bdu n ASN 46 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bdu s VAL 47 N -2.10 4.28 -0.14 2.41 1.01 -0.81 -0.67 120.40 124.37 3bdu s VAL 47 Ca 0.29 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 3bdu s VAL 47 Cb 0.20 -3.06 -0.14 0.00 0.00 0.00 0.00 36.38 33.38 3bdu s VAL 47 CO 0.36 0.26 0.29 0.50 0.00 0.00 0.00 175.10 176.52 3bdu h LYS 48 N 8.25 0.00 0.00 2.72 3.64 -0.97 -3.47 116.57 126.73 3bdu h LYS 48 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3bdu h LYS 48 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3bdu h LYS 48 CO 0.59 0.56 0.00 0.39 -2.27 0.00 0.00 179.45 178.72 3bdu n GLU 49 N -4.62 0.00 0.00 1.90 1.02 -1.04 -5.01 120.64 112.88 3bdu n GLU 49 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3bdu n GLU 49 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 3bdu n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bdu n ALA 51 N -3.00 0.00 -2.69 0.62 0.00 -0.27 -0.90 120.51 114.28 3bdu n ALA 51 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3bdu n ALA 51 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3bdu n ALA 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3bdu s LYS 52 N -2.00 4.33 0.00 0.00 2.20 -1.26 0.13 119.74 123.14 3bdu s LYS 52 Ca 0.00 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 3bdu s LYS 52 Cb 0.00 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 3bdu s LYS 52 CO 0.00 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.28