#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 5.41 0.79 4.04 1.04 -1.26 -4.87 113.70 118.85 3bdu s SER 3 Ca 0.00 1.37 -0.11 0.00 0.48 0.00 0.00 55.95 57.69 3bdu s SER 3 Cb 0.00 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.94 3bdu s SER 3 CO 0.00 -1.39 1.09 0.20 0.98 0.00 0.00 173.24 174.11 3bdu s ASN 4 N -4.06 4.51 0.16 7.02 0.01 -1.26 -4.28 114.94 117.04 3bdu s ASN 4 Ca 0.58 1.53 0.08 0.00 -0.71 0.00 0.00 52.86 54.34 3bdu s ASN 4 Cb -0.13 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3bdu s ASN 4 CO 0.54 -1.99 -0.17 -0.31 -1.51 0.00 0.00 177.10 173.66 3bdu s TYR 5 N -3.03 1.72 -0.11 2.20 2.02 0.03 0.78 117.35 120.96 3bdu s TYR 5 Ca 0.61 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 3bdu s TYR 5 Cb -0.16 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3bdu s TYR 5 CO 0.55 0.30 -0.12 0.08 -1.57 0.00 0.00 175.55 174.79 3bdu s VAL 6 N -2.20 1.27 -0.09 0.71 1.01 0.44 -0.87 120.40 120.67 3bdu s VAL 6 Ca 0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3bdu s VAL 6 Cb -0.05 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3bdu s VAL 6 CO 0.06 0.40 0.06 -0.76 0.00 0.00 0.00 175.10 174.86 3bdu s LEU 7 N 1.23 3.88 -0.21 3.92 1.02 0.97 -0.96 118.68 128.54 3bdu s LEU 7 Ca -0.03 0.25 -0.02 0.00 0.02 0.00 0.00 54.13 54.35 3bdu s LEU 7 Cb -0.14 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.11 3bdu s LEU 7 CO -0.04 0.38 -0.09 -1.00 0.02 0.00 0.00 176.35 175.61 3bdu s HIS 8 N -0.97 2.91 0.71 0.29 3.76 -0.22 -0.31 115.29 121.45 3bdu s HIS 8 Ca 0.15 -1.18 -0.08 0.00 -0.15 0.00 0.00 55.06 53.80 3bdu s HIS 8 Cb -0.12 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.58 3bdu s HIS 8 CO 0.04 -0.64 1.04 0.95 -0.85 0.00 0.00 174.74 175.29 3bdu s THR 9 N 1.42 2.57 -2.14 1.30 -4.23 0.03 -0.93 115.64 113.65 3bdu s THR 9 Ca 0.05 -0.08 0.17 0.00 -1.18 0.00 0.00 61.69 60.66 3bdu s THR 9 Cb -0.14 -3.13 0.41 0.00 1.34 0.00 0.00 72.50 70.99 3bdu s THR 9 CO -0.06 -0.15 1.50 0.59 -0.54 0.00 0.00 174.62 175.96 3bdu n ASN 10 N -2.97 1.15 -0.62 3.99 3.02 0.44 -3.42 115.26 116.85 3bdu n ASN 10 Ca 0.07 -1.71 0.07 0.00 -0.03 0.00 0.00 54.58 52.99 3bdu n ASN 10 Cb 0.60 -0.09 0.21 0.00 -0.61 0.00 0.00 39.78 39.88 3bdu n ASN 10 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3bdu n ASP 11 N 0.01 3.04 0.00 6.41 5.68 -1.26 -4.98 116.55 125.45 3bdu n ASP 11 Ca 0.14 -3.19 0.00 0.00 -0.50 0.00 0.00 54.79 51.23 3bdu n ASP 11 Cb 0.23 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 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 -0.96 0.59 3.93 6.12 0.00 -1.22 -5.06 105.19 108.60 3bdu n GLY 12 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.13 3.47 -0.16 1.61 0.52 -1.26 -4.92 118.95 118.07 3bdu s ARG 13 Ca 0.00 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 3bdu s ARG 13 Cb 0.00 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.53 3bdu s ARG 13 CO 0.00 0.51 -0.18 0.99 0.02 0.00 0.00 175.30 176.64 3bdu s THR 14 N -1.72 2.40 -0.06 0.02 2.01 -1.26 -0.79 115.64 116.25 3bdu s THR 14 Ca 0.36 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3bdu s THR 14 Cb -0.11 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 3bdu s THR 14 CO 0.28 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.86 3bdu s ILE 15 N 0.95 2.00 -0.13 1.82 1.01 0.58 -4.96 121.20 122.47 3bdu s ILE 15 Ca -0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 3bdu s ILE 15 Cb -0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3bdu s ILE 15 CO -0.03 0.56 0.23 -0.69 0.00 0.00 0.00 174.94 175.00 3bdu s VAL 16 N -0.16 5.35 0.04 2.92 1.01 -1.26 -0.02 120.40 128.28 3bdu s VAL 16 Ca -0.03 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.45 3bdu s VAL 16 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3bdu s VAL 16 CO 0.03 0.51 -0.26 0.00 0.00 0.00 0.00 175.10 175.38 3bdu s ALA 17 N -0.29 2.18 0.26 5.51 0.00 -0.05 -3.53 121.76 125.84 3bdu s ALA 17 Ca 0.15 -1.24 0.18 0.00 0.00 0.00 0.00 51.96 51.06 3bdu s ALA 17 Cb -0.13 -0.46 0.79 0.00 0.00 0.00 0.00 23.12 23.32 3bdu s ALA 17 CO 0.04 0.51 1.80 0.93 0.00 0.00 0.00 175.76 179.04 3bdu h GLU 18 N 4.82 0.00 0.00 0.00 5.08 -1.05 0.12 114.58 123.55 3bdu h GLU 18 Ca -0.46 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.66 3bdu h GLU 18 Cb 1.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 3bdu h GLU 18 CO 0.44 0.35 -0.17 0.41 -1.00 0.00 0.00 179.01 179.03 3bdu n GLY 19 N -0.06 2.68 3.67 -3.84 0.00 -1.26 -4.19 105.19 102.20 3bdu n GLY 19 Ca -0.01 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.68 4.16 0.42 1.61 2.20 -1.26 -4.52 119.74 119.66 3bdu s LYS 20 Ca 0.23 2.45 -0.24 0.00 -0.36 0.00 0.00 55.97 58.05 3bdu s LYS 20 Cb -0.00 -3.89 -0.08 0.00 -1.51 0.00 0.00 37.83 32.35 3bdu s LYS 20 CO 0.16 -0.86 1.10 -2.14 -0.36 0.00 0.00 175.35 173.25 3bdu s PRO 21 N 3.62 4.03 0.04 4.03 0.02 -1.26 -4.93 135.00 140.55 3bdu s PRO 21 Ca 0.80 1.63 -0.09 0.00 0.02 0.00 0.00 61.00 63.36 3bdu s PRO 21 Cb -0.41 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.60 3bdu s PRO 21 CO 0.36 -0.28 0.18 0.15 -0.33 0.00 0.00 177.00 177.08 3bdu s LYS 22 N -2.53 0.67 0.18 5.54 1.02 -0.81 -4.94 119.74 118.88 3bdu s LYS 22 Ca 0.59 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 3bdu s LYS 22 Cb -0.25 0.28 -0.08 0.00 -0.52 0.00 0.00 37.83 37.25 3bdu s LYS 22 CO 0.31 -0.19 1.30 0.08 -0.92 0.00 0.00 175.35 175.93 3bdu s VAL 23 N -2.49 3.28 -0.46 3.17 1.01 -1.26 -0.01 120.40 123.64 3bdu s VAL 23 Ca -0.06 1.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.74 3bdu s VAL 23 Cb -0.01 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3bdu s VAL 23 CO -0.04 0.15 0.72 -0.62 0.00 0.00 0.00 175.10 175.31 3bdu s ASP 24 N 0.41 6.34 0.62 3.32 -1.08 -1.26 -4.85 116.67 120.17 3bdu s ASP 24 Ca 0.57 -0.34 0.31 0.00 -0.52 0.00 0.00 52.55 52.57 3bdu s ASP 24 Cb -0.36 -2.35 1.67 0.00 -1.46 0.00 0.00 42.92 40.43 3bdu s ASP 24 CO 0.37 -0.88 2.02 -0.78 0.52 0.00 0.00 175.17 176.42 3bdu h ASP 25 N 8.97 0.00 1.61 -0.34 1.82 -1.95 0.58 116.42 127.10 3bdu h ASP 25 Ca -0.25 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 3bdu h ASP 25 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 3bdu h ASP 25 CO 0.94 0.00 -0.20 -0.33 -1.61 0.00 0.00 179.24 178.04 3bdu h GLU 26 N 0.00 0.00 0.00 0.28 5.08 -2.03 -3.37 114.58 114.54 3bdu h GLU 26 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3bdu h GLU 26 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3bdu h GLU 26 CO -0.00 0.00 -0.95 0.25 -1.00 0.00 0.00 179.01 177.31 3bdu n THR 27 N -2.73 0.00 -1.49 1.13 -2.24 -0.33 -5.27 114.28 103.36 3bdu n THR 27 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3bdu n THR 27 Cb 0.50 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 2.73 0.67 3.24 3.38 0.00 0.19 -5.02 105.19 110.37 3bdu n GLY 28 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.48 2.93 -0.11 -0.61 1.01 -0.11 -4.67 121.20 117.16 3bdu s ILE 30 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 3bdu s ILE 30 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3bdu s ILE 30 CO 0.00 0.42 0.11 -0.55 0.00 0.00 0.00 174.94 174.92 3bdu s SER 31 N 1.40 6.16 0.32 3.58 0.15 0.99 -0.49 113.70 125.82 3bdu s SER 31 Ca 0.05 0.40 -0.18 0.00 0.70 0.00 0.00 55.95 56.92 3bdu s SER 31 Cb -0.14 -1.95 0.03 0.00 -1.71 0.00 0.00 66.02 62.25 3bdu s SER 31 CO -0.06 0.40 0.73 -0.72 1.20 0.00 0.00 173.24 174.79 3bdu s TYR 32 N -0.98 -0.03 -0.19 3.44 1.13 -0.35 -1.93 117.35 118.45 3bdu s TYR 32 Ca 0.15 -0.51 -0.01 0.00 -1.41 0.00 0.00 57.07 55.29 3bdu s TYR 32 Cb -0.12 0.73 0.01 0.00 -1.10 0.00 0.00 41.96 41.48 3bdu s TYR 32 CO 0.04 -1.36 -0.14 0.99 -2.51 0.00 0.00 175.55 172.57 3bdu s THR 33 N -3.28 2.63 1.12 -3.49 2.01 -1.26 -0.05 115.64 113.31 3bdu s THR 33 Ca 0.13 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 3bdu s THR 33 Cb -0.05 -2.14 0.26 0.00 0.01 0.00 0.00 72.50 70.58 3bdu s THR 33 CO 0.09 0.50 1.20 1.51 -0.69 0.00 0.00 174.62 177.23 3bdu s ASP 34 N 1.22 1.68 0.62 3.53 1.47 -0.71 -0.54 116.67 123.95 3bdu s ASP 34 Ca 0.02 0.44 0.38 0.00 1.18 0.00 0.00 52.55 54.57 3bdu s ASP 34 Cb -0.14 -0.56 2.09 0.00 -0.34 0.00 0.00 42.92 43.97 3bdu s ASP 34 CO -0.07 -3.63 2.29 0.00 0.68 0.00 0.00 175.17 174.44 3bdu h ALA 35 N -2.25 1.21 -0.01 2.11 0.00 -1.90 -0.97 119.26 117.45 3bdu h ALA 35 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3bdu h ALA 35 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3bdu h ALA 35 CO 0.34 0.01 -0.09 0.66 0.00 0.00 0.00 179.25 180.16 3bdu n TYR 36 N -3.40 0.00 -0.78 0.00 4.01 -1.26 -4.92 117.16 110.82 3bdu n TYR 36 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3bdu n TYR 36 Cb 0.10 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.22 0.55 3.82 2.72 0.00 -0.37 -5.05 105.19 108.08 3bdu n GLY 37 Ca 0.17 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.12 3.81 -0.03 1.61 0.74 -1.26 -4.87 119.66 118.54 3bdu s GLN 38 Ca 0.00 0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.14 3bdu s GLN 38 Cb 0.00 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 3bdu s GLN 38 CO 0.00 0.59 1.21 -0.65 -0.55 0.00 0.00 175.29 175.89 3bdu s GLN 39 N -0.56 4.36 0.21 1.67 -0.21 -1.26 -1.74 119.66 122.14 3bdu s GLN 39 Ca 0.16 1.70 0.08 0.00 0.02 0.00 0.00 55.36 57.33 3bdu s GLN 39 Cb -0.13 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.30 3bdu s GLN 39 CO 0.05 -0.43 -0.15 -0.65 -2.12 0.00 0.00 175.29 171.99 3bdu s GLN 40 N 2.06 1.38 -0.01 2.91 -1.52 0.93 -4.97 119.66 120.43 3bdu s GLN 40 Ca 0.57 -1.61 -0.01 0.00 -1.95 0.00 0.00 55.36 52.36 3bdu s GLN 40 Cb -0.26 -1.22 0.00 0.00 -0.22 0.00 0.00 33.01 31.32 3bdu s GLN 40 CO 0.23 0.21 0.03 -0.65 -0.25 0.00 0.00 175.29 174.86 3bdu s GLN 41 N -3.61 0.05 -0.00 2.91 -0.21 -1.26 -1.21 119.66 116.33 3bdu s GLN 41 Ca 0.23 -0.00 0.02 0.00 0.02 0.00 0.00 55.36 55.63 3bdu s GLN 41 Cb -0.01 0.02 -0.01 0.00 1.00 0.00 0.00 33.01 34.01 3bdu s GLN 41 CO 0.08 -0.01 -0.08 -1.50 -2.12 0.00 0.00 175.29 171.67 3bdu s ILE 42 N -0.09 0.60 0.12 1.08 2.07 0.36 -4.94 121.20 120.40 3bdu s ILE 42 Ca -0.01 -0.39 -0.33 0.00 -1.41 0.00 0.00 60.65 58.51 3bdu s ILE 42 Cb -0.01 -0.52 -0.13 0.00 0.13 0.00 0.00 42.46 41.94 3bdu s ILE 42 CO -0.00 0.12 1.70 -3.20 -1.91 0.00 0.00 174.94 171.66 3bdu n ASN 43 N 2.77 3.50 0.29 4.50 2.85 -1.26 -0.93 115.26 126.97 3bdu n ASN 43 Ca -0.14 1.04 0.13 0.00 -0.11 0.00 0.00 54.58 55.50 3bdu n ASN 43 Cb 0.57 -1.47 0.84 0.00 1.24 0.00 0.00 39.78 40.97 3bdu n ASN 43 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 3bdu h ARG 44 N 7.13 0.00 0.00 1.20 0.11 -1.94 -0.42 114.38 120.45 3bdu h ARG 44 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3bdu h ARG 44 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3bdu h ARG 44 CO 0.92 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 180.55 3bdu h ASP 45 N 0.00 0.00 -0.54 0.08 3.32 -1.97 -1.80 116.42 115.52 3bdu h ASP 45 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bdu h ASP 45 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3bdu h ASP 45 CO -0.00 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.32 3bdu n ASN 46 N -2.30 3.64 -4.35 6.45 4.05 -0.17 -4.80 115.26 117.78 3bdu n ASN 46 Ca 0.02 -1.99 -0.38 0.00 0.45 0.00 0.00 54.58 52.68 3bdu n ASN 46 Cb 0.21 -0.35 -0.12 0.00 1.23 0.00 0.00 39.78 40.75 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 -1.23 4.11 -0.17 3.44 1.01 -0.68 -0.42 120.40 126.46 3bdu s VAL 47 Ca 0.42 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3bdu s VAL 47 Cb 0.23 -3.18 -0.22 0.00 0.00 0.00 0.00 36.38 33.21 3bdu s VAL 47 CO 0.31 -0.01 0.37 0.50 0.00 0.00 0.00 175.10 176.27 3bdu h LYS 48 N 8.28 0.07 0.00 2.72 3.64 -1.28 -3.47 116.57 126.54 3bdu h LYS 48 Ca -0.29 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3bdu h LYS 48 Cb 1.12 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3bdu h LYS 48 CO 0.61 1.06 0.00 0.39 -2.27 0.00 0.00 179.45 179.25 3bdu n GLU 49 N -4.26 0.00 -3.65 1.90 1.02 -1.09 -5.01 120.64 109.56 3bdu n GLU 49 Ca -0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.83 3bdu n GLU 49 Cb 0.73 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.09 3bdu n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bdu s ALA 51 N -1.59 -2.27 -0.03 0.62 0.00 -0.13 -1.06 121.76 117.31 3bdu s ALA 51 Ca 0.00 1.78 -0.27 0.00 0.00 0.00 0.00 51.96 53.47 3bdu s ALA 51 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3bdu s ALA 51 CO 0.00 -0.16 0.85 0.21 0.00 0.00 0.00 175.76 176.66 3bdu s LYS 52 N 0.28 4.50 0.00 0.00 2.20 -1.26 -0.42 119.74 125.03 3bdu s LYS 52 Ca 0.04 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 3bdu s LYS 52 Cb -0.04 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3bdu s LYS 52 CO -0.13 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.26