#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrp s LYS 2 N 0.00 3.11 0.01 0.00 3.01 -1.18 -2.16 119.74 122.52 1zrp s LYS 2 Ca 0.00 -0.77 0.02 0.00 -1.01 0.00 0.00 55.97 54.21 1zrp s LYS 2 Cb 0.00 -2.78 -0.04 0.00 -1.01 0.00 0.00 37.83 34.01 1zrp s LYS 2 CO 0.00 -0.23 -0.02 -1.58 0.51 0.00 0.00 175.35 174.03 1zrp s TRP 3 N 1.36 3.00 -0.05 3.18 0.52 0.14 -2.20 118.94 124.90 1zrp s TRP 3 Ca 0.05 0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.24 1zrp s TRP 3 Cb -0.14 -1.64 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 1zrp s TRP 3 CO -0.08 0.43 -0.17 0.54 0.02 0.00 0.00 176.95 177.69 1zrp s VAL 4 N -1.08 1.40 -0.44 4.03 0.11 0.86 0.58 120.40 125.87 1zrp s VAL 4 Ca 0.19 -0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 58.27 1zrp s VAL 4 Cb -0.11 -1.21 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1zrp s VAL 4 CO 0.10 0.41 1.69 0.00 -3.33 0.00 0.00 175.10 173.96 1zrp h LYS 6 N 12.68 0.00 0.07 0.00 3.64 -1.71 -2.16 116.57 129.09 1zrp h LYS 6 Ca -0.30 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1zrp h LYS 6 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1zrp h LYS 6 CO 1.10 0.06 -0.03 0.82 -2.27 0.00 0.00 179.45 179.13 1zrp h ILE 7 N 0.00 0.00 0.06 2.00 2.04 -1.88 -3.42 117.51 116.31 1zrp h ILE 7 Ca -0.00 -0.06 -0.35 0.00 1.00 0.00 0.00 64.86 65.45 1zrp h ILE 7 Cb 0.20 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1zrp h ILE 7 CO 0.01 0.00 -2.02 0.00 0.00 0.00 0.00 178.15 176.14 1zrp n GLY 9 N 1.88 1.71 3.98 0.00 0.00 -0.82 -5.12 105.19 106.82 1zrp n GLY 9 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1zrp n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1zrp s TYR 10 N -2.00 2.87 -0.12 1.61 5.04 -1.24 -4.94 117.35 118.58 1zrp s TYR 10 Ca 0.00 -0.06 -0.08 0.00 -2.44 0.00 0.00 57.07 54.50 1zrp s TYR 10 Cb 0.00 -2.67 0.04 0.00 0.35 0.00 0.00 41.96 39.68 1zrp s TYR 10 CO 0.00 -0.78 0.29 0.42 -1.34 0.00 0.00 175.55 174.14 1zrp s ILE 11 N -2.69 -0.02 -0.16 3.14 1.09 -1.26 0.58 121.20 121.88 1zrp s ILE 11 Ca 0.56 0.08 -0.15 0.00 -1.10 0.00 0.00 60.65 60.05 1zrp s ILE 11 Cb -0.10 -0.43 -0.04 0.00 -1.06 0.00 0.00 42.46 40.82 1zrp s ILE 11 CO 0.38 0.03 0.33 -0.47 -0.10 0.00 0.00 174.94 175.11 1zrp s TYR 12 N 0.87 3.46 -0.29 3.97 5.04 0.20 -4.96 117.35 125.64 1zrp s TYR 12 Ca -0.06 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.17 1zrp s TYR 12 Cb -0.07 -2.39 0.03 0.00 0.35 0.00 0.00 41.96 39.88 1zrp s TYR 12 CO -0.06 0.20 0.01 0.34 -1.34 0.00 0.00 175.55 174.69 1zrp s ASP 13 N 0.57 4.78 0.34 4.32 -1.08 -1.26 0.24 116.67 124.58 1zrp s ASP 13 Ca 0.18 -1.01 0.23 0.00 -0.52 0.00 0.00 52.55 51.43 1zrp s ASP 13 Cb -0.13 -1.74 1.24 0.00 -1.46 0.00 0.00 42.92 40.82 1zrp s ASP 13 CO 0.05 -0.21 1.71 -0.33 0.52 0.00 0.00 175.17 176.91 1zrp h GLU 14 N 8.07 0.00 0.00 4.34 5.08 -1.71 0.14 114.58 130.51 1zrp h GLU 14 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1zrp h GLU 14 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1zrp h GLU 14 CO 0.57 0.00 -1.00 -3.47 -1.00 0.00 0.00 179.01 174.11 1zrp n ASP 15 N -2.31 0.78 -0.03 1.42 2.03 -1.26 -1.50 116.55 115.67 1zrp n ASP 15 Ca -0.01 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.46 1zrp n ASP 15 Cb 0.06 0.50 -0.14 0.00 -0.72 0.00 0.00 41.12 40.81 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zrp n ALA 16 N -2.12 1.49 0.00 -1.67 0.00 0.47 -4.51 120.51 114.17 1zrp n ALA 16 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1zrp n ALA 16 Cb 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1zrp n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrp n GLY 17 N 1.59 -2.35 2.68 0.00 0.00 -1.10 -4.61 105.19 101.40 1zrp n GLY 17 Ca -0.19 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 43.82 1zrp n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zrp n ASP 18 N 0.10 -1.56 0.03 1.61 2.03 -0.92 -4.77 116.55 113.05 1zrp n ASP 18 Ca 0.00 -2.11 0.01 0.00 0.52 0.00 0.00 54.79 53.21 1zrp n ASP 18 Cb 0.00 1.04 0.08 0.00 -0.72 0.00 0.00 41.12 41.52 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1zrp n PRO 19 N -0.52 0.02 0.14 -0.67 -0.04 -0.58 0.10 135.00 133.44 1zrp n PRO 19 Ca -0.14 0.44 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1zrp n PRO 19 Cb 0.75 -1.66 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1zrp n PRO 19 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zrp h ASP 20 N 0.00 0.00 -0.19 3.54 1.82 -1.95 -2.21 116.42 117.42 1zrp h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1zrp h ASP 20 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1zrp h ASP 20 CO 0.00 0.56 0.00 0.59 -1.61 0.00 0.00 179.24 178.78 1zrp n ASN 21 N -3.30 3.40 -1.26 2.28 3.02 0.11 -4.97 115.26 114.55 1zrp n ASN 21 Ca 0.01 -2.95 -0.03 0.00 -0.03 0.00 0.00 54.58 51.58 1zrp n ASN 21 Cb 0.73 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1zrp n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zrp n GLY 22 N -0.68 0.46 3.38 7.41 0.00 -0.72 -4.96 105.19 110.08 1zrp n GLY 22 Ca 0.19 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1zrp n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zrp s ILE 23 N -3.06 2.66 0.35 -0.61 1.09 -0.64 -4.91 121.20 116.08 1zrp s ILE 23 Ca 0.04 -0.85 -0.11 0.00 -1.10 0.00 0.00 60.65 58.63 1zrp s ILE 23 Cb -0.02 -2.03 -0.07 0.00 -1.06 0.00 0.00 42.46 39.29 1zrp s ILE 23 CO 0.12 0.57 0.70 -0.55 -0.10 0.00 0.00 174.94 175.69 1zrp s SER 24 N -0.38 6.59 -0.81 3.58 0.15 -1.26 -1.53 113.70 120.03 1zrp s SER 24 Ca 0.03 1.08 -0.23 0.00 0.70 0.00 0.00 55.95 57.54 1zrp s SER 24 Cb -0.12 -2.30 -0.18 0.00 -1.71 0.00 0.00 66.02 61.71 1zrp s SER 24 CO 0.02 -0.28 2.37 -0.81 1.20 0.00 0.00 173.24 175.74 1zrp n PRO 25 N -0.86 0.47 0.00 5.44 -0.05 -1.26 -1.68 135.00 137.06 1zrp n PRO 25 Ca 0.02 -0.62 0.00 0.00 -0.05 0.00 0.00 63.50 62.85 1zrp n PRO 25 Cb 0.54 -3.13 0.00 0.00 -0.05 0.00 0.00 33.50 30.85 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1zrp n GLY 26 N 6.51 1.28 3.79 0.55 0.00 -0.57 -4.91 105.19 111.84 1zrp n GLY 26 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 1zrp n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zrp s THR 27 N -1.36 3.51 0.47 2.61 2.01 -0.68 -4.96 115.64 117.24 1zrp s THR 27 Ca 0.00 0.80 0.01 0.00 0.31 0.00 0.00 61.69 62.81 1zrp s THR 27 Cb 0.00 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1zrp s THR 27 CO 0.00 -0.35 0.69 -0.75 -0.69 0.00 0.00 174.62 173.52 1zrp s LYS 28 N -3.77 2.90 0.02 4.92 2.20 -1.26 -4.67 119.74 120.08 1zrp s LYS 28 Ca 0.67 -0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 55.49 1zrp s LYS 28 Cb -0.19 -2.56 -0.09 0.00 -1.51 0.00 0.00 37.83 33.48 1zrp s LYS 28 CO 0.33 -0.39 1.16 0.35 -0.36 0.00 0.00 175.35 176.44 1zrp h PHE 29 N 0.33 -0.54 0.00 4.03 3.57 -1.96 -0.61 116.94 121.75 1zrp h PHE 29 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1zrp h PHE 29 Cb 1.27 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1zrp h PHE 29 CO 0.42 -0.34 0.00 -0.85 -2.23 0.00 0.00 178.31 175.32 1zrp n GLU 30 N -3.69 0.95 -0.87 1.11 0.00 -1.26 0.58 120.64 117.46 1zrp n GLU 30 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.13 1zrp n GLU 30 Cb 0.23 -1.19 0.37 0.00 0.00 0.00 0.00 31.44 30.84 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1zrp n GLU 31 N -0.69 4.40 -2.34 3.44 4.07 -0.34 -4.93 120.64 124.26 1zrp n GLU 31 Ca 0.09 -3.12 -0.25 0.00 -0.06 0.00 0.00 57.16 53.82 1zrp n GLU 31 Cb 0.04 -2.20 0.10 0.00 -0.06 0.00 0.00 31.44 29.31 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1zrp s LEU 32 N -2.84 2.91 0.71 4.31 1.43 0.20 -4.57 118.68 120.83 1zrp s LEU 32 Ca 0.53 0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 1zrp s LEU 32 Cb 0.41 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 1zrp s LEU 32 CO 0.14 -1.81 0.37 -2.65 0.23 0.00 0.00 176.35 172.63 1zrp n PRO 33 N -2.95 0.25 0.00 1.29 -0.02 -1.26 -4.88 135.00 127.43 1zrp n PRO 33 Ca 0.11 0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1zrp n PRO 33 Cb 0.60 -1.67 0.25 0.00 -0.02 0.00 0.00 33.50 32.66 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1zrp h ASP 34 N -0.35 0.50 -0.37 2.55 5.19 -1.97 -2.18 116.42 119.79 1zrp h ASP 34 Ca -0.45 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 55.70 1zrp h ASP 34 Cb 1.36 -0.13 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 1zrp h ASP 34 CO 0.41 0.64 0.01 0.47 -3.12 0.00 0.00 179.24 177.65 1zrp n ASP 35 N -4.21 3.16 -4.66 6.45 8.00 -1.26 -4.86 116.55 119.17 1zrp n ASP 35 Ca 0.01 -3.46 -0.42 0.00 0.71 0.00 0.00 54.79 51.63 1zrp n ASP 35 Cb 0.31 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1zrp s TRP 36 N -3.09 1.26 0.17 1.24 -0.00 -0.82 -4.93 118.94 112.78 1zrp s TRP 36 Ca 0.45 -0.40 0.06 0.00 -0.00 0.00 0.00 56.10 56.21 1zrp s TRP 36 Cb 0.39 -4.23 -0.04 0.00 -0.00 0.00 0.00 33.47 29.59 1zrp s TRP 36 CO 0.04 -5.49 -0.13 0.14 -0.00 0.00 0.00 176.95 171.52 1zrp s VAL 37 N 4.74 1.44 0.03 5.86 -7.23 -1.26 -1.61 120.40 122.37 1zrp s VAL 37 Ca 0.89 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1zrp s VAL 37 Cb -0.42 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 1zrp s VAL 37 CO 0.41 -0.61 1.89 0.00 -0.31 0.00 0.00 175.10 176.48 1zrp n PRO 39 N 7.28 0.02 0.00 0.00 -0.02 -1.26 -1.75 135.00 139.27 1zrp n PRO 39 Ca 0.19 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1zrp n PRO 39 Cb 0.41 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1zrp n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1zrp n ILE 40 N -1.58 0.00 0.07 4.25 -0.00 -1.26 -4.85 119.36 116.00 1zrp n ILE 40 Ca 0.01 0.12 -0.00 0.00 -0.00 0.00 0.00 62.75 62.87 1zrp n ILE 40 Cb 0.04 -1.11 -0.05 0.00 -0.00 0.00 0.00 39.64 38.52 1zrp n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 42 N 1.34 1.64 3.61 0.00 0.00 -0.72 -5.03 105.19 106.04 1zrp n GLY 42 Ca -0.05 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1zrp n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrp s ALA 43 N -2.00 3.54 0.85 4.61 0.00 -1.26 -4.62 121.76 122.88 1zrp s ALA 43 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1zrp s ALA 43 Cb 0.00 -2.40 0.13 0.00 0.00 0.00 0.00 23.12 20.85 1zrp s ALA 43 CO 0.00 -0.41 0.30 -2.30 0.00 0.00 0.00 175.76 173.35 1zrp n PRO 44 N 4.77 -1.07 0.34 0.00 -0.02 -1.26 0.59 135.00 138.34 1zrp n PRO 44 Ca -0.14 -0.51 0.22 0.00 -2.02 0.00 0.00 63.50 61.05 1zrp n PRO 44 Cb 0.52 -0.99 1.20 0.00 -0.02 0.00 0.00 33.50 34.21 1zrp n PRO 44 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1zrp h LYS 45 N 0.00 0.00 0.00 -0.52 1.57 -1.63 -2.56 116.57 113.43 1zrp h LYS 45 Ca -0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1zrp h LYS 45 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1zrp h LYS 45 CO 0.08 0.00 -0.03 0.66 -0.57 0.00 0.00 179.45 179.60 1zrp h SER 46 N 0.00 0.00 -0.06 0.86 4.64 -1.87 -2.44 113.55 114.68 1zrp h SER 46 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zrp h SER 46 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1zrp h SER 46 CO 0.00 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 1zrp n GLU 47 N -3.66 2.07 -3.15 4.77 -0.58 -0.96 -4.84 120.64 114.28 1zrp n GLU 47 Ca -0.03 -2.31 -0.45 0.00 -0.42 0.00 0.00 57.16 53.95 1zrp n GLU 47 Cb 0.12 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1zrp s PHE 48 N -2.27 3.09 1.37 -0.32 0.40 -0.92 -2.12 117.98 117.21 1zrp s PHE 48 Ca 0.25 -1.10 -0.22 0.00 -0.60 0.00 0.00 56.93 55.26 1zrp s PHE 48 Cb 0.21 -3.98 0.35 0.00 0.51 0.00 0.00 43.02 40.11 1zrp s PHE 48 CO 0.04 -1.24 0.98 -2.00 0.70 0.00 0.00 175.22 173.70 1zrp s GLU 49 N 2.35 -2.57 -0.06 0.44 2.12 0.20 -4.71 118.70 116.47 1zrp s GLU 49 Ca 0.11 0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.52 1zrp s GLU 49 Cb -0.24 -1.43 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 1zrp s GLU 49 CO 0.04 -4.62 -0.18 0.21 -0.54 0.00 0.00 175.26 170.17 1zrp s LYS 50 N -5.20 2.58 0.00 4.30 2.20 -1.26 -0.10 119.74 122.26 1zrp s LYS 50 Ca 0.70 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1zrp s LYS 50 Cb -0.11 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1zrp s LYS 50 CO 0.57 0.51 0.00 -0.11 -0.36 0.00 0.00 175.35 175.96 1zrp n LEU 51 N 2.62 0.00 -4.58 5.43 -0.00 -0.93 -4.90 117.00 114.64 1zrp n LEU 51 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.57 1zrp n LEU 51 Cb 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.85 1zrp n LEU 51 CO 0.26 0.00 -0.24 -1.83 -0.00 0.00 0.00 177.39 175.58 1zrp s GLU 52 N 0.86 1.94 0.00 1.96 -1.05 -1.26 -4.98 118.70 116.17 1zrp s GLU 52 Ca 0.00 -2.17 0.00 0.00 -0.15 0.00 0.00 54.97 52.65 1zrp s GLU 52 Cb 0.00 -1.05 0.00 0.00 -0.44 0.00 0.00 34.13 32.64 1zrp s GLU 52 CO 0.00 -0.32 0.00 -0.40 0.95 0.00 0.00 175.26 175.49