#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 2.79 0.03 3.23 -0.14 -1.26 0.50 119.74 124.89 1zad s LYS 2 Ca 0.00 -1.28 0.01 0.00 -1.36 0.00 0.00 55.97 53.33 1zad s LYS 2 Cb 0.00 -3.87 -0.04 0.00 -1.68 0.00 0.00 37.83 32.24 1zad s LYS 2 CO 0.00 -0.88 0.09 0.00 -0.76 0.00 0.00 175.35 173.80 1zad s ASN 4 N -2.02 5.59 0.00 0.00 0.01 -1.26 -0.80 114.94 116.45 1zad s ASN 4 Ca 0.26 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1zad s ASN 4 Cb -0.12 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.61 1zad s ASN 4 CO 0.18 -0.84 0.00 0.29 -1.51 0.00 0.00 177.10 175.22 1zad n LYS 5 N -2.02 2.53 -0.33 -0.60 4.01 -0.18 -4.59 118.16 116.99 1zad n LYS 5 Ca 0.06 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 58.05 1zad n LYS 5 Cb 0.59 0.00 0.43 0.00 -0.51 0.00 0.00 35.03 35.54 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 0.59 -9.17 -0.35 6.46 -1.89 -3.37 115.31 107.58 1zad h LEU 6 Ca 0.00 0.10 -0.63 0.00 -0.12 0.00 0.00 57.88 57.23 1zad h LEU 6 Cb 0.00 -0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 39.78 1zad h LEU 6 CO 0.00 0.15 -0.56 -0.69 -0.62 0.00 0.00 178.44 176.71 1zad s VAL 7 N -5.65 4.78 -0.06 1.05 1.01 -1.26 -4.96 120.40 115.31 1zad s VAL 7 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1zad s VAL 7 Cb 0.25 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1zad s VAL 7 CO 0.80 0.50 0.95 -2.65 0.00 0.00 0.00 175.10 174.70 1zad n PRO 8 N 3.18 0.16 0.00 2.72 -0.02 -1.26 -3.48 135.00 136.30 1zad n PRO 8 Ca -0.17 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 1zad n PRO 8 Cb 0.53 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.27 0.00 -3.88 4.25 0.00 -1.26 -5.07 119.36 117.66 1zad n ILE 9 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 62.75 62.43 1zad n ILE 9 Cb 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 39.64 39.20 1zad n ILE 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zad s ALA 10 N -1.79 3.36 0.05 1.51 0.00 -1.23 -5.05 121.76 118.62 1zad s ALA 10 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1zad s ALA 10 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 1zad s ALA 10 CO 0.00 -0.09 0.13 1.52 0.00 0.00 0.00 175.76 177.33 1zad s TYR 11 N 0.87 0.16 0.27 0.00 1.13 -1.26 -1.01 117.35 117.52 1zad s TYR 11 Ca 0.04 -0.48 0.05 0.00 -1.41 0.00 0.00 57.07 55.28 1zad s TYR 11 Cb -0.14 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 1zad s TYR 11 CO 0.03 -0.41 0.19 1.63 -2.51 0.00 0.00 175.55 174.48 1zad n LYS 12 N 0.57 0.39 -2.95 -3.49 4.76 0.02 -4.93 118.16 112.54 1zad n LYS 12 Ca -0.18 -2.59 -0.41 0.00 -2.87 0.00 0.00 58.31 52.26 1zad n LYS 12 Cb 0.59 1.96 -0.05 0.00 -1.84 0.00 0.00 35.03 35.70 1zad n LYS 12 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1zad s THR 13 N -2.98 4.90 -0.41 -0.18 2.01 -1.26 -0.73 115.64 117.00 1zad s THR 13 Ca 0.27 1.49 -0.28 0.00 0.31 0.00 0.00 61.69 63.48 1zad s THR 13 Cb 0.01 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1zad s THR 13 CO 0.19 0.01 1.64 0.00 -0.69 0.00 0.00 174.62 175.77 1zad n PRO 15 N 8.41 -3.56 -1.67 0.00 -0.04 -1.24 -4.41 135.00 132.49 1zad n PRO 15 Ca 0.19 -0.83 -0.47 0.00 -0.04 0.00 0.00 63.50 62.36 1zad n PRO 15 Cb 0.48 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.80 1zad n PRO 15 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1zad n GLU 16 N -4.08 2.19 0.00 0.54 0.00 -1.26 -1.59 120.64 116.43 1zad n GLU 16 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 57.16 58.03 1zad n GLU 16 Cb 0.34 -2.59 0.00 0.00 0.00 0.00 0.00 31.44 29.19 1zad n GLU 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1zad n GLY 17 N 3.79 3.12 3.13 8.31 0.00 -1.26 -4.98 105.19 117.30 1zad n GLY 17 Ca 0.19 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1zad n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zad s LYS 18 N 0.00 2.12 -0.28 1.61 -0.14 -0.62 -4.20 119.74 118.23 1zad s LYS 18 Ca 0.00 -1.90 0.09 0.00 -1.36 0.00 0.00 55.97 52.80 1zad s LYS 18 Cb 0.00 -3.64 0.49 0.00 -1.68 0.00 0.00 37.83 32.99 1zad s LYS 18 CO 0.00 -1.10 1.41 -1.71 -0.76 0.00 0.00 175.35 173.19 1zad n ASN 19 N 4.50 2.40 -3.96 2.83 5.15 -1.01 -3.66 115.26 121.52 1zad n ASN 19 Ca -0.02 -3.83 -0.11 0.00 -0.60 0.00 0.00 54.58 50.03 1zad n ASN 19 Cb 0.41 -0.61 -0.12 0.00 -0.53 0.00 0.00 39.78 38.93 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 -3.27 2.16 -0.07 1.20 1.43 -0.18 -4.77 118.68 115.18 1zad s LEU 20 Ca 0.44 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1zad s LEU 20 Cb 0.40 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.61 1zad s LEU 20 CO -0.02 -0.18 -0.17 0.00 0.23 0.00 0.00 176.35 176.21 1zad s TYR 22 N -0.34 1.00 -0.16 0.00 -0.85 0.13 0.71 117.35 117.85 1zad s TYR 22 Ca 0.03 -0.94 -0.04 0.00 -0.52 0.00 0.00 57.07 55.60 1zad s TYR 22 Cb -0.13 -0.57 0.08 0.00 0.38 0.00 0.00 41.96 41.72 1zad s TYR 22 CO 0.02 -0.15 0.23 -1.59 -1.52 0.00 0.00 175.55 172.54 1zad s LYS 23 N -3.85 0.15 -0.10 -3.49 -2.85 0.39 -0.90 119.74 109.09 1zad s LYS 23 Ca 0.16 0.48 -0.17 0.00 -1.00 0.00 0.00 55.97 55.44 1zad s LYS 23 Cb 0.05 -0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 35.20 1zad s LYS 23 CO -0.02 -0.46 0.45 -1.64 0.10 0.00 0.00 175.35 173.78 1zad s MET 24 N 2.37 4.27 -0.16 1.78 -1.94 0.30 -1.92 119.30 123.99 1zad s MET 24 Ca 0.04 0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 54.43 1zad s MET 24 Cb -0.14 -3.40 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 1zad s MET 24 CO -0.10 0.26 -0.14 -0.06 -0.01 0.00 0.00 175.02 174.97 1zad s PHE 25 N 0.31 2.80 0.43 -0.03 0.40 0.20 -2.23 117.98 119.86 1zad s PHE 25 Ca 0.24 -1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 55.43 1zad s PHE 25 Cb -0.15 -1.90 -0.08 0.00 0.51 0.00 0.00 43.02 41.40 1zad s PHE 25 CO 0.10 -0.46 0.85 1.41 0.70 0.00 0.00 175.22 177.82 1zad s MET 26 N 0.83 3.90 0.00 0.44 1.75 -1.26 0.97 119.30 125.93 1zad s MET 26 Ca -0.05 0.71 0.00 0.00 -1.25 0.00 0.00 55.69 55.11 1zad s MET 26 Cb -0.15 -2.29 0.00 0.00 2.84 0.00 0.00 34.83 35.22 1zad s MET 26 CO -0.00 -0.09 0.00 -1.33 -0.65 0.00 0.00 175.02 172.95 1zad n MET 27 N -1.21 0.00 -3.91 4.11 2.81 0.20 -4.54 117.12 114.58 1zad n MET 27 Ca 0.04 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.85 1zad n MET 27 Cb 0.54 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.97 1zad n MET 27 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1zad s SER 28 N 0.00 0.20 -0.19 7.83 0.15 -1.26 -4.79 113.70 115.64 1zad s SER 28 Ca 0.00 -0.74 0.12 0.00 0.70 0.00 0.00 55.95 56.04 1zad s SER 28 Cb 0.00 0.31 -0.20 0.00 -1.71 0.00 0.00 66.02 64.41 1zad s SER 28 CO 0.00 -0.70 -0.01 -0.90 1.20 0.00 0.00 173.24 172.83 1zad n ASP 29 N -0.02 0.96 -0.14 5.45 5.75 -1.26 -4.28 116.55 123.01 1zad n ASP 29 Ca -0.15 -0.03 0.27 0.00 -0.01 0.00 0.00 54.79 54.88 1zad n ASP 29 Cb 0.62 0.61 0.60 0.00 -1.03 0.00 0.00 41.12 41.93 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 -1.97 -3.39 115.31 111.22 1zad h LEU 30 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1zad h LEU 30 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1zad h LEU 30 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1zad n THR 31 N -3.53 0.00 -3.59 0.22 -2.24 -1.26 -5.08 114.28 98.81 1zad n THR 31 Ca 0.19 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.64 1zad n THR 31 Cb 1.20 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.11 5.09 1.26 2.28 1.09 -1.26 -5.08 121.20 125.70 1zad s ILE 32 Ca 0.00 0.27 -0.18 0.00 -1.10 0.00 0.00 60.65 59.64 1zad s ILE 32 Cb 0.00 -3.63 0.31 0.00 -1.06 0.00 0.00 42.46 38.08 1zad s ILE 32 CO 0.00 0.11 1.01 -2.16 -0.10 0.00 0.00 174.94 173.80 1zad s PRO 33 N -2.41 -1.70 -0.02 2.79 0.04 -1.26 -4.83 135.00 127.61 1zad s PRO 33 Ca 0.39 0.29 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1zad s PRO 33 Cb -0.13 -1.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.90 1zad s PRO 33 CO 0.22 -4.10 -0.02 1.33 0.04 0.00 0.00 177.00 174.46 1zad n VAL 34 N -5.10 0.11 -3.80 -0.36 0.24 -0.95 -4.92 118.33 103.55 1zad n VAL 34 Ca 0.09 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 1zad n VAL 34 Cb 0.58 -0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 31.91 1zad n VAL 34 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1zad s LYS 35 N -2.04 0.47 -0.26 7.34 2.47 -0.98 -5.03 119.74 121.71 1zad s LYS 35 Ca -0.03 -0.03 -0.25 0.00 -1.56 0.00 0.00 55.97 54.11 1zad s LYS 35 Cb 0.01 0.21 0.07 0.00 -1.46 0.00 0.00 37.83 36.66 1zad s LYS 35 CO 0.04 -0.11 0.73 -0.98 0.16 0.00 0.00 175.35 175.19 1zad s ARG 36 N -0.76 0.84 0.00 4.03 1.70 -1.26 0.11 118.95 123.60 1zad s ARG 36 Ca -0.08 0.96 0.00 0.00 -0.47 0.00 0.00 55.73 56.13 1zad s ARG 36 Cb -0.05 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1zad s ARG 36 CO 0.02 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 1zad n GLY 37 N 2.60 3.11 3.88 3.88 0.00 -0.08 -4.52 105.19 114.07 1zad n GLY 37 Ca -0.14 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.30 0.00 -0.11 0.00 2.07 0.28 -4.83 121.20 116.31 1zad s ILE 39 Ca 0.42 -0.72 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1zad s ILE 39 Cb -0.06 -2.57 -0.07 0.00 0.13 0.00 0.00 42.46 39.89 1zad s ILE 39 CO 0.27 0.00 -0.10 -0.90 -1.91 0.00 0.00 174.94 172.31 1zad n ASP 40 N -0.99 3.14 -3.88 4.50 5.75 -1.26 -1.01 116.55 122.79 1zad n ASP 40 Ca -0.05 -0.06 -0.20 0.00 -0.01 0.00 0.00 54.79 54.47 1zad n ASP 40 Cb 0.60 -0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.36 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 -2.22 0.54 -0.05 2.12 0.11 -1.26 -4.86 120.40 114.77 1zad s VAL 41 Ca -0.15 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 1zad s VAL 41 Cb 0.04 -0.58 -0.06 0.00 -1.53 0.00 0.00 36.38 34.25 1zad s VAL 41 CO 0.26 0.23 1.80 0.00 -3.33 0.00 0.00 175.10 174.06 1zad s PRO 43 N 4.43 -1.37 -0.01 0.00 0.02 -1.26 -5.00 135.00 131.81 1zad s PRO 43 Ca 0.80 0.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.00 1zad s PRO 43 Cb -0.36 -1.53 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1zad s PRO 43 CO 0.34 -3.93 1.19 0.15 -0.33 0.00 0.00 177.00 174.42 1zad s LYS 44 N -4.80 4.39 0.82 5.54 1.02 -1.26 -5.01 119.74 120.45 1zad s LYS 44 Ca 0.68 1.70 -0.12 0.00 0.02 0.00 0.00 55.97 58.25 1zad s LYS 44 Cb -0.19 -3.47 0.08 0.00 -0.52 0.00 0.00 37.83 33.73 1zad s LYS 44 CO 0.61 -0.35 1.10 1.21 -0.92 0.00 0.00 175.35 177.00 1zad s ASN 45 N 1.30 4.28 0.14 2.83 2.47 -1.26 -5.00 114.94 119.70 1zad s ASN 45 Ca 0.57 1.26 0.01 0.00 0.42 0.00 0.00 52.86 55.11 1zad s ASN 45 Cb -0.26 -1.97 0.01 0.00 -1.45 0.00 0.00 41.25 37.58 1zad s ASN 45 CO 0.25 -2.10 0.04 -1.54 -3.72 0.00 0.00 177.10 170.04 1zad n SER 46 N -3.51 2.01 -0.07 -4.21 3.41 -1.25 -5.02 113.62 104.98 1zad n SER 46 Ca 0.07 -1.56 -0.07 0.00 -0.26 0.00 0.00 58.87 57.05 1zad n SER 46 Cb 0.57 0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.42 1zad n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1zad n LEU 47 N 0.00 0.19 0.07 1.04 4.77 -1.26 -4.34 117.00 117.46 1zad n LEU 47 Ca -0.04 0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 1zad n LEU 47 Cb 0.17 0.36 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1zad n LEU 47 CO 0.09 0.40 -0.46 -0.07 -1.33 0.00 0.00 177.39 176.02 1zad h LEU 48 N 0.00 0.52-10.14 2.23 -0.00 -1.94 -3.47 115.31 102.50 1zad h LEU 48 Ca -0.42 -0.76 -0.49 0.00 -0.00 0.00 0.00 57.88 56.21 1zad h LEU 48 Cb 2.02 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 42.48 1zad h LEU 48 CO 0.03 1.64 -0.40 -0.69 -0.00 0.00 0.00 178.44 179.03 1zad s VAL 49 N -2.59 2.99 -0.16 1.22 1.01 -1.26 0.59 120.40 122.20 1zad s VAL 49 Ca -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 1zad s VAL 49 Cb 0.06 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1zad s VAL 49 CO 0.85 -0.06 0.01 -0.75 0.00 0.00 0.00 175.10 175.15 1zad s LYS 50 N -4.09 0.84 -0.35 2.72 2.47 0.27 -3.75 119.74 117.86 1zad s LYS 50 Ca 0.46 -0.34 -0.22 0.00 -1.56 0.00 0.00 55.97 54.31 1zad s LYS 50 Cb -0.04 -1.85 0.00 0.00 -1.46 0.00 0.00 37.83 34.48 1zad s LYS 50 CO 0.28 -0.52 0.72 0.71 0.16 0.00 0.00 175.35 176.70 1zad s TYR 51 N 1.82 3.15 -0.40 4.03 1.51 -1.26 -0.62 117.35 125.57 1zad s TYR 51 Ca 0.01 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 1zad s TYR 51 Cb -0.16 -3.24 0.11 0.00 -0.11 0.00 0.00 41.96 38.56 1zad s TYR 51 CO -0.07 -0.65 0.16 0.08 -1.11 0.00 0.00 175.55 173.96 1zad s VAL 52 N 2.90 2.84 0.23 0.71 1.01 -0.81 -4.96 120.40 122.32 1zad s VAL 52 Ca 0.28 -2.32 -0.04 0.00 0.00 0.00 0.00 61.98 59.90 1zad s VAL 52 Cb -0.14 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1zad s VAL 52 CO 0.15 -0.67 0.47 0.00 0.00 0.00 0.00 175.10 175.05 1zad n ASN 55 N -0.58 1.00 -4.50 0.00 6.94 -1.26 -1.44 115.26 115.42 1zad n ASN 55 Ca -0.03 -2.34 -0.33 0.00 -0.02 0.00 0.00 54.58 51.86 1zad n ASN 55 Cb 0.61 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 37.58 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 -0.62 3.29 0.01 5.53 -4.23 -1.26 -4.99 115.64 113.38 1zad s THR 56 Ca 0.29 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 1zad s THR 56 Cb 0.32 -2.32 -0.08 0.00 1.34 0.00 0.00 72.50 71.75 1zad s THR 56 CO -0.12 0.58 1.90 -1.81 -0.54 0.00 0.00 174.62 174.63 1zad s ASP 57 N -0.57 6.49 -0.42 3.99 1.01 -1.26 -1.43 116.67 124.47 1zad s ASP 57 Ca 0.08 2.57 -0.03 0.00 0.71 0.00 0.00 52.55 55.89 1zad s ASP 57 Cb -0.12 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1zad s ASP 57 CO 0.02 -1.03 0.35 0.54 0.21 0.00 0.00 175.17 175.26 1zad n ARG 58 N 7.46 -2.39 0.06 8.23 1.74 0.28 -4.91 116.66 127.12 1zad n ARG 58 Ca 0.19 0.26 -0.16 0.00 -0.77 0.00 0.00 57.85 57.37 1zad n ARG 58 Cb 0.41 -3.57 -0.07 0.00 -1.02 0.00 0.00 32.46 28.21 1zad n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11