#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zad s LYS 2 N 0.00 2.97 0.03 3.23 1.02 -1.26 0.73 119.74 126.46 1zad s LYS 2 Ca 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.12 1zad s LYS 2 Cb 0.00 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1zad s LYS 2 CO 0.00 -0.41 -0.06 0.00 -0.92 0.00 0.00 175.35 173.95 1zad s ASN 4 N -1.65 5.30 0.00 0.00 0.01 -1.26 -1.40 114.94 115.94 1zad s ASN 4 Ca 0.19 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 1zad s ASN 4 Cb -0.11 -0.51 0.00 0.00 0.41 0.00 0.00 41.25 41.04 1zad s ASN 4 CO 0.10 -1.10 0.00 0.29 -1.51 0.00 0.00 177.10 174.87 1zad n LYS 5 N -2.19 2.70 -0.07 -0.60 4.01 -0.79 -4.60 118.16 116.63 1zad n LYS 5 Ca 0.10 0.00 0.24 0.00 -0.51 0.00 0.00 58.31 58.14 1zad n LYS 5 Cb 0.60 0.00 0.71 0.00 -0.51 0.00 0.00 35.03 35.83 1zad n LYS 5 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1zad h LEU 6 N 0.00 0.00 -8.72 -0.35 5.85 -1.90 -3.37 115.31 106.82 1zad h LEU 6 Ca 0.00 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 1zad h LEU 6 Cb 0.00 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 40.79 1zad h LEU 6 CO 0.00 0.00 -0.72 -0.69 -0.34 0.00 0.00 178.44 176.69 1zad s VAL 7 N -4.94 3.44 0.00 1.05 1.01 -1.26 -5.00 120.40 114.70 1zad s VAL 7 Ca -0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1zad s VAL 7 Cb 0.20 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1zad s VAL 7 CO 0.73 0.51 0.51 -2.65 0.00 0.00 0.00 175.10 174.19 1zad n PRO 8 N 3.54 0.05 0.01 2.72 -0.02 -1.26 -3.50 135.00 136.54 1zad n PRO 8 Ca -0.18 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1zad n PRO 8 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1zad n PRO 8 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1zad n ILE 9 N 2.84 0.06 -4.06 4.25 0.13 -1.26 -5.05 119.36 116.27 1zad n ILE 9 Ca 0.01 0.02 -0.35 0.00 -1.10 0.00 0.00 62.75 61.33 1zad n ILE 9 Cb 0.02 -1.02 -0.11 0.00 -0.84 0.00 0.00 39.64 37.69 1zad n ILE 9 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1zad s ALA 10 N -2.00 3.29 0.04 1.51 0.00 -1.23 -5.06 121.76 118.30 1zad s ALA 10 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1zad s ALA 10 Cb 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1zad s ALA 10 CO 0.00 0.09 0.33 1.52 0.00 0.00 0.00 175.76 177.70 1zad s TYR 11 N 0.54 -0.15 0.25 0.00 1.13 -1.26 -1.88 117.35 115.98 1zad s TYR 11 Ca 0.02 0.05 0.05 0.00 -1.41 0.00 0.00 57.07 55.78 1zad s TYR 11 Cb -0.13 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1zad s TYR 11 CO 0.01 -0.51 0.17 0.36 -2.51 0.00 0.00 175.55 173.08 1zad n LYS 12 N 0.62 0.38 -2.95 -3.49 2.85 -0.49 -4.94 118.16 110.15 1zad n LYS 12 Ca -0.19 -2.37 -0.41 0.00 -1.05 0.00 0.00 58.31 54.30 1zad n LYS 12 Cb 0.59 1.78 -0.04 0.00 -0.65 0.00 0.00 35.03 36.71 1zad n LYS 12 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1zad s THR 13 N -2.87 4.97 -0.50 0.58 2.01 -1.26 -0.42 115.64 118.14 1zad s THR 13 Ca 0.25 1.59 -0.28 0.00 0.31 0.00 0.00 61.69 63.56 1zad s THR 13 Cb 0.01 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1zad s THR 13 CO 0.17 0.16 1.52 0.00 -0.69 0.00 0.00 174.62 175.79 1zad n PRO 15 N 8.55 -3.40 -1.68 0.00 -0.04 -1.23 -4.32 135.00 132.88 1zad n PRO 15 Ca 0.16 -0.75 -0.48 0.00 -0.04 0.00 0.00 63.50 62.39 1zad n PRO 15 Cb 0.49 -0.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.95 1zad n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1zad n GLU 16 N -3.90 2.21 0.00 0.54 1.02 -1.26 -1.29 120.64 117.96 1zad n GLU 16 Ca 0.07 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1zad n GLU 16 Cb 0.30 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 1zad n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zad n GLY 17 N 4.41 2.73 2.92 0.62 0.00 -1.26 -5.01 105.19 109.59 1zad n GLY 17 Ca 0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1zad n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zad s LYS 18 N 0.00 1.38 -0.15 1.61 0.00 -0.41 -4.25 119.74 117.92 1zad s LYS 18 Ca 0.00 -1.29 0.18 0.00 0.00 0.00 0.00 55.97 54.86 1zad s LYS 18 Cb 0.00 -2.64 0.36 0.00 0.00 0.00 0.00 37.83 35.54 1zad s LYS 18 CO 0.00 -0.79 1.22 -1.71 0.00 0.00 0.00 175.35 174.07 1zad n ASN 19 N 4.58 2.70 -4.18 0.03 5.15 -1.13 -3.47 115.26 118.94 1zad n ASN 19 Ca -0.05 -3.11 -0.22 0.00 -0.60 0.00 0.00 54.58 50.60 1zad n ASN 19 Cb 0.43 -0.46 -0.14 0.00 -0.53 0.00 0.00 39.78 39.08 1zad n ASN 19 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1zad s LEU 20 N -2.89 2.16 -0.04 1.20 1.43 -0.52 -4.66 118.68 115.35 1zad s LEU 20 Ca 0.35 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1zad s LEU 20 Cb 0.30 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1zad s LEU 20 CO 0.04 0.09 -0.15 0.00 0.23 0.00 0.00 176.35 176.57 1zad s TYR 22 N -0.75 0.97 -0.16 0.00 -0.85 0.91 0.81 117.35 118.29 1zad s TYR 22 Ca 0.12 -1.08 -0.04 0.00 -0.52 0.00 0.00 57.07 55.55 1zad s TYR 22 Cb -0.11 -0.56 0.08 0.00 0.38 0.00 0.00 41.96 41.75 1zad s TYR 22 CO 0.01 -0.32 0.24 -1.59 -1.52 0.00 0.00 175.55 172.37 1zad s LYS 23 N -3.95 0.17 -0.07 -3.49 0.00 -0.00 -1.16 119.74 111.24 1zad s LYS 23 Ca 0.20 0.51 -0.22 0.00 0.00 0.00 0.00 55.97 56.47 1zad s LYS 23 Cb 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 37.83 37.32 1zad s LYS 23 CO 0.00 -0.45 0.62 -1.64 0.00 0.00 0.00 175.35 173.88 1zad s MET 24 N 2.38 4.39 -0.22 1.78 -1.94 0.19 -2.21 119.30 123.67 1zad s MET 24 Ca 0.04 0.74 -0.00 0.00 -1.71 0.00 0.00 55.69 54.76 1zad s MET 24 Cb -0.14 -3.42 0.02 0.00 2.01 0.00 0.00 34.83 33.30 1zad s MET 24 CO -0.10 0.14 -0.12 -0.06 -0.01 0.00 0.00 175.02 174.87 1zad s PHE 25 N 0.57 2.96 0.40 -0.03 0.40 -0.30 -1.27 117.98 120.72 1zad s PHE 25 Ca 0.33 -1.60 -0.10 0.00 -0.60 0.00 0.00 56.93 54.97 1zad s PHE 25 Cb -0.17 -2.00 -0.06 0.00 0.51 0.00 0.00 43.02 41.30 1zad s PHE 25 CO 0.16 -0.75 0.76 1.41 0.70 0.00 0.00 175.22 177.49 1zad s MET 26 N 1.31 3.74 0.00 0.44 1.75 -1.26 -0.02 119.30 125.26 1zad s MET 26 Ca 0.02 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 1zad s MET 26 Cb -0.15 -2.41 0.00 0.00 2.84 0.00 0.00 34.83 35.11 1zad s MET 26 CO -0.08 -0.04 0.00 -1.33 -0.65 0.00 0.00 175.02 172.93 1zad n MET 27 N -1.36 0.00 -3.95 4.11 2.81 0.22 -4.48 117.12 114.47 1zad n MET 27 Ca 0.02 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.81 1zad n MET 27 Cb 0.54 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.94 1zad n MET 27 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1zad s SER 28 N -1.32 0.18 -0.04 7.83 0.01 -1.26 -4.81 113.70 114.29 1zad s SER 28 Ca 0.00 -0.43 0.21 0.00 1.31 0.00 0.00 55.95 57.05 1zad s SER 28 Cb 0.00 0.13 -0.32 0.00 0.21 0.00 0.00 66.02 66.05 1zad s SER 28 CO 0.00 -0.33 0.45 -0.90 0.41 0.00 0.00 173.24 172.87 1zad n ASP 29 N 1.53 0.04 -0.25 2.44 5.75 -1.26 -4.24 116.55 120.56 1zad n ASP 29 Ca -0.24 0.01 0.32 0.00 -0.01 0.00 0.00 54.79 54.88 1zad n ASP 29 Cb 0.55 1.80 0.62 0.00 -1.03 0.00 0.00 41.12 43.07 1zad n ASP 29 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1zad h LEU 30 N 0.00 0.00 0.00 -2.12 3.38 -1.96 -3.39 115.31 111.22 1zad h LEU 30 Ca -0.07 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.54 1zad h LEU 30 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1zad h LEU 30 CO 0.00 0.00 -0.15 0.35 0.09 0.00 0.00 178.44 178.74 1zad n THR 31 N -3.61 0.00 -1.95 0.22 -2.24 -1.26 -5.09 114.28 100.35 1zad n THR 31 Ca 0.24 -1.36 -0.38 0.00 -2.27 0.00 0.00 64.05 60.27 1zad n THR 31 Cb 1.38 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1zad n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1zad s ILE 32 N -1.65 2.43 0.00 2.28 1.09 -1.26 -5.00 121.20 119.08 1zad s ILE 32 Ca 0.24 0.34 0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1zad s ILE 32 Cb -0.02 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.20 1zad s ILE 32 CO 0.15 0.01 0.00 -0.81 -0.10 0.00 0.00 174.94 174.19 1zad n PRO 33 N -0.62 -1.24 -0.03 2.79 -0.04 -1.26 -4.92 135.00 129.66 1zad n PRO 33 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1zad n PRO 33 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 1zad n PRO 33 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1zad n VAL 34 N -2.55 0.37 -3.82 0.52 0.24 -0.40 -4.90 118.33 107.79 1zad n VAL 34 Ca 0.00 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.08 1zad n VAL 34 Cb 0.00 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.36 1zad n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1zad s LYS 35 N -2.13 0.84 -0.28 7.34 1.02 -0.96 -5.03 119.74 120.55 1zad s LYS 35 Ca -0.09 -0.85 -0.20 0.00 0.02 0.00 0.00 55.97 54.86 1zad s LYS 35 Cb 0.03 0.35 0.11 0.00 -0.52 0.00 0.00 37.83 37.80 1zad s LYS 35 CO 0.14 -0.27 0.89 -0.98 -0.92 0.00 0.00 175.35 174.21 1zad s ARG 36 N -3.56 0.55 0.00 1.68 1.70 -1.26 0.55 118.95 118.61 1zad s ARG 36 Ca 0.02 0.82 0.00 0.00 -0.47 0.00 0.00 55.73 56.10 1zad s ARG 36 Cb 0.03 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1zad s ARG 36 CO -0.09 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.44 1zad n GLY 37 N 3.32 3.70 3.76 3.88 0.00 -0.31 -4.52 105.19 115.02 1zad n GLY 37 Ca -0.17 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1zad n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zad s ILE 39 N -2.39 0.00 -0.17 0.00 2.07 0.28 -4.84 121.20 116.15 1zad s ILE 39 Ca 0.38 -0.78 0.01 0.00 -1.41 0.00 0.00 60.65 58.85 1zad s ILE 39 Cb -0.03 -2.52 -0.11 0.00 0.13 0.00 0.00 42.46 39.92 1zad s ILE 39 CO 0.23 0.00 -0.16 -0.90 -1.91 0.00 0.00 174.94 172.21 1zad n ASP 40 N -0.97 2.59 -3.94 4.50 5.75 -1.26 -1.44 116.55 121.78 1zad n ASP 40 Ca -0.05 -0.07 -0.17 0.00 -0.01 0.00 0.00 54.79 54.48 1zad n ASP 40 Cb 0.60 -0.28 -0.15 0.00 -1.03 0.00 0.00 41.12 40.25 1zad n ASP 40 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1zad s VAL 41 N -2.34 0.47 -0.14 2.12 0.11 -1.26 -4.85 120.40 114.50 1zad s VAL 41 Ca -0.23 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 1zad s VAL 41 Cb 0.06 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1zad s VAL 41 CO 0.38 0.15 1.89 0.00 -3.33 0.00 0.00 175.10 174.20 1zad n PRO 43 N 7.92 -0.54 -0.76 0.00 -0.02 -1.26 -5.07 135.00 135.27 1zad n PRO 43 Ca 0.22 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 1zad n PRO 43 Cb 0.44 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.04 1zad n PRO 43 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1zad n LYS 44 N -1.06 -1.47 -3.64 -0.52 5.02 -1.26 -5.04 118.16 110.20 1zad n LYS 44 Ca 0.00 -1.00 -0.09 0.00 -2.02 0.00 0.00 58.31 55.21 1zad n LYS 44 Cb 0.00 -0.80 -0.07 0.00 -0.02 0.00 0.00 35.03 34.14 1zad n LYS 44 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1zad s ASN 45 N -3.30 -0.70 0.21 4.39 2.47 -1.26 -4.70 114.94 112.06 1zad s ASN 45 Ca 0.39 1.22 0.03 0.00 0.42 0.00 0.00 52.86 54.91 1zad s ASN 45 Cb -0.02 1.26 0.03 0.00 -1.45 0.00 0.00 41.25 41.07 1zad s ASN 45 CO 0.28 -0.20 0.23 -1.54 -3.72 0.00 0.00 177.10 172.15 1zad n SER 46 N 3.27 1.24 0.09 -4.21 3.41 -1.25 -5.02 113.62 111.14 1zad n SER 46 Ca -0.16 -1.65 0.12 0.00 -0.26 0.00 0.00 58.87 56.91 1zad n SER 46 Cb 0.57 -0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 1zad n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1zad h LEU 47 N 0.00 0.00 0.00 1.04 3.38 -2.00 -3.29 115.31 114.44 1zad h LEU 47 Ca -0.12 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.54 1zad h LEU 47 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1zad h LEU 47 CO 0.18 0.05 -1.17 0.25 0.09 0.00 0.00 178.44 177.84 1zad h LEU 48 N 0.00 0.00 -9.35 1.67 7.12 -1.94 -3.47 115.31 109.34 1zad h LEU 48 Ca 0.00 0.00 -0.55 0.00 0.13 0.00 0.00 57.88 57.46 1zad h LEU 48 Cb 0.88 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 40.88 1zad h LEU 48 CO 0.00 0.82 -0.64 -0.69 -0.13 0.00 0.00 178.44 177.81 1zad s VAL 49 N -2.77 1.71 -0.15 1.05 1.01 -1.24 0.71 120.40 120.73 1zad s VAL 49 Ca -0.01 -2.07 -0.04 0.00 0.00 0.00 0.00 61.98 59.87 1zad s VAL 49 Cb 0.09 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.79 1zad s VAL 49 CO 0.81 -0.12 0.06 -0.75 0.00 0.00 0.00 175.10 175.10 1zad s LYS 50 N -3.75 0.28 -0.65 2.72 2.47 0.98 -3.83 119.74 117.95 1zad s LYS 50 Ca 0.33 -0.10 -0.21 0.00 -1.56 0.00 0.00 55.97 54.43 1zad s LYS 50 Cb 0.07 -1.64 0.08 0.00 -1.46 0.00 0.00 37.83 34.88 1zad s LYS 50 CO 0.15 -0.57 0.90 0.71 0.16 0.00 0.00 175.35 176.70 1zad s TYR 51 N 2.04 2.78 -0.51 4.03 1.51 -1.26 -1.15 117.35 124.79 1zad s TYR 51 Ca 0.02 -0.70 -0.16 0.00 -1.01 0.00 0.00 57.07 55.22 1zad s TYR 51 Cb -0.15 -4.22 0.10 0.00 -0.11 0.00 0.00 41.96 37.58 1zad s TYR 51 CO -0.07 -1.55 0.46 0.08 -1.11 0.00 0.00 175.55 173.35 1zad s VAL 52 N 3.63 5.22 0.23 0.71 1.01 -0.94 -4.96 120.40 125.30 1zad s VAL 52 Ca 0.19 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1zad s VAL 52 Cb -0.18 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1zad s VAL 52 CO 0.08 -0.74 0.47 0.00 0.00 0.00 0.00 175.10 174.92 1zad n ASN 55 N -0.61 0.48 -4.71 0.00 6.94 -1.26 -1.24 115.26 114.86 1zad n ASN 55 Ca -0.03 -2.21 -0.35 0.00 -0.02 0.00 0.00 54.58 51.97 1zad n ASN 55 Cb 0.61 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.69 1zad n ASN 55 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1zad s THR 56 N -0.54 4.72 -0.04 5.53 -4.23 -1.26 -4.96 115.64 114.86 1zad s THR 56 Ca 0.08 -0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1zad s THR 56 Cb 0.07 -3.05 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 1zad s THR 56 CO -0.00 0.56 1.93 -1.81 -0.54 0.00 0.00 174.62 174.76 1zad s ASP 57 N -0.51 6.30 -0.10 3.99 1.01 -1.26 -1.29 116.67 124.80 1zad s ASP 57 Ca 0.10 2.38 -0.00 0.00 0.71 0.00 0.00 52.55 55.74 1zad s ASP 57 Cb -0.12 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1zad s ASP 57 CO 0.02 -1.21 0.05 0.54 0.21 0.00 0.00 175.17 174.79 1zad n ARG 58 N 7.70 -0.40 0.06 8.23 1.74 0.17 -4.94 116.66 129.23 1zad n ARG 58 Ca 0.21 0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.19 1zad n ARG 58 Cb 0.42 -3.05 -0.07 0.00 -1.02 0.00 0.00 32.46 28.74 1zad n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11