#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 3.05 0.31 0.00 -2.85 -1.26 -2.14 119.74 116.86 1zrp s LYS 2 Ca 0.00 -0.81 -0.03 0.00 -1.00 0.00 0.00 55.97 54.12 1zrp s LYS 2 Cb 0.00 -2.57 -0.05 0.00 -2.06 0.00 0.00 37.83 33.15 1zrp s LYS 2 CO 0.00 -0.13 0.56 -1.58 0.10 0.00 0.00 175.35 174.30 1zrp s TRP 3 N 1.12 3.49 -0.03 1.78 0.52 0.20 -2.11 118.94 123.90 1zrp s TRP 3 Ca 0.00 0.57 0.04 0.00 0.02 0.00 0.00 56.10 56.73 1zrp s TRP 3 Cb -0.14 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.12 1zrp s TRP 3 CO -0.08 0.14 -0.16 0.54 0.02 0.00 0.00 176.95 177.41 1zrp s VAL 4 N -2.18 1.34 -0.53 4.03 0.11 0.19 0.58 120.40 123.95 1zrp s VAL 4 Ca 0.43 -0.68 -0.28 0.00 -2.93 0.00 0.00 61.98 58.52 1zrp s VAL 4 Cb -0.10 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1zrp s VAL 4 CO 0.32 0.39 1.56 0.00 -3.33 0.00 0.00 175.10 174.04 1zrp h LYS 6 N 12.07 0.00 0.03 0.00 1.63 -1.70 -2.01 116.57 126.59 1zrp h LYS 6 Ca -0.28 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1zrp h LYS 6 Cb 1.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1zrp h LYS 6 CO 1.16 0.00 -0.01 0.82 -3.45 0.00 0.00 179.45 177.97 1zrp h ILE 7 N 0.00 0.81 0.00 2.00 5.03 -1.88 -3.42 117.51 120.05 1zrp h ILE 7 Ca -0.00 -1.54 -0.41 0.00 -0.12 0.00 0.00 64.86 62.79 1zrp h ILE 7 Cb 0.09 1.50 -0.07 0.00 -3.03 0.00 0.00 36.82 35.32 1zrp h ILE 7 CO 0.00 0.27 -2.47 0.00 -0.68 0.00 0.00 178.15 175.27 1zrp n GLY 9 N 1.91 1.74 3.95 0.00 0.00 -0.76 -5.12 105.19 106.90 1zrp n GLY 9 Ca -0.48 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 3.49 -0.02 1.61 5.04 -1.24 -4.95 117.35 119.28 1zrp s TYR 10 Ca 0.00 0.29 0.05 0.00 -2.44 0.00 0.00 57.07 54.97 1zrp s TYR 10 Cb 0.00 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.45 1zrp s TYR 10 CO 0.00 0.16 -0.16 0.42 -1.34 0.00 0.00 175.55 174.64 1zrp s ILE 11 N -2.27 1.25 -0.37 3.14 -1.09 -1.26 0.58 121.20 121.18 1zrp s ILE 11 Ca 0.39 -0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 58.02 1zrp s ILE 11 Cb -0.09 -1.05 0.01 0.00 -1.58 0.00 0.00 42.46 39.75 1zrp s ILE 11 CO 0.35 0.36 0.23 -0.47 -1.23 0.00 0.00 174.94 174.18 1zrp s TYR 12 N -0.28 3.23 -0.39 3.97 5.04 0.20 -4.97 117.35 124.15 1zrp s TYR 12 Ca 0.04 -0.69 -0.18 0.00 -2.44 0.00 0.00 57.07 53.80 1zrp s TYR 12 Cb -0.07 -2.48 0.01 0.00 0.35 0.00 0.00 41.96 39.77 1zrp s TYR 12 CO -0.00 -0.57 0.50 0.34 -1.34 0.00 0.00 175.55 174.48 1zrp s ASP 13 N 1.62 6.26 0.50 4.32 -1.08 -1.26 0.58 116.67 127.61 1zrp s ASP 13 Ca 0.04 -0.34 0.20 0.00 -0.52 0.00 0.00 52.55 51.93 1zrp s ASP 13 Cb -0.19 -2.26 1.28 0.00 -1.46 0.00 0.00 42.92 40.30 1zrp s ASP 13 CO 0.08 -0.56 2.08 -0.33 0.52 0.00 0.00 175.17 176.95 1zrp h GLU 14 N 8.64 0.00 0.00 4.34 5.08 -1.71 0.18 114.58 131.11 1zrp h GLU 14 Ca -0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1zrp h GLU 14 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1zrp h GLU 14 CO 0.80 0.11 -0.32 0.22 -1.00 0.00 0.00 179.01 178.81 1zrp h ASP 15 N 0.00 0.00 0.64 1.42 3.58 -1.84 -3.27 116.42 116.96 1zrp h ASP 15 Ca -0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1zrp h ASP 15 Cb 0.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1zrp h ASP 15 CO 0.01 0.32 -1.44 0.00 -2.88 0.00 0.00 179.24 175.25 1zrp n ALA 16 N -2.46 2.17 -0.41 -0.78 0.00 -0.02 -4.67 120.51 114.33 1zrp n ALA 16 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1zrp n ALA 16 Cb 0.37 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.35 1.18 2.67 0.00 0.00 -0.75 -4.39 105.19 105.24 1zrp n GLY 17 Ca -0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 2.08 -1.26 0.33 1.61 2.03 -0.87 -4.67 116.55 115.79 1zrp n ASP 18 Ca 0.00 -1.86 0.12 0.00 0.52 0.00 0.00 54.79 53.56 1zrp n ASP 18 Cb 0.00 1.11 0.62 0.00 -0.72 0.00 0.00 41.12 42.13 1zrp n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1zrp h PRO 19 N 1.72 0.00 -0.37 -0.67 0.13 -1.13 0.31 132.00 131.99 1zrp h PRO 19 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1zrp h PRO 19 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1zrp h PRO 19 CO -0.10 0.00 0.15 -0.44 -0.23 0.00 0.00 178.00 177.38 1zrp h ASP 20 N 0.00 0.46 0.00 1.44 5.19 -1.95 -2.50 116.42 119.06 1zrp h ASP 20 Ca 0.01 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 1zrp h ASP 20 Cb 1.00 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.34 1zrp h ASP 20 CO -0.00 0.42 -0.39 0.59 -3.12 0.00 0.00 179.24 176.74 1zrp n ASN 21 N -4.40 1.55 -0.86 6.45 3.02 -0.01 -4.97 115.26 116.05 1zrp n ASN 21 Ca 0.02 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 1zrp n ASN 21 Cb 0.13 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.82 0.45 3.01 7.41 0.00 -0.94 -5.09 105.19 109.22 1zrp n GLY 22 Ca 0.13 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.74 0.93 0.38 -0.61 1.09 -0.57 -4.94 121.20 114.75 1zrp s ILE 23 Ca 0.00 -0.41 -0.02 0.00 -1.10 0.00 0.00 60.65 59.11 1zrp s ILE 23 Cb 0.00 -0.84 -0.04 0.00 -1.06 0.00 0.00 42.46 40.52 1zrp s ILE 23 CO 0.00 0.29 0.63 -0.44 -0.10 0.00 0.00 174.94 175.32 1zrp s SER 24 N 0.36 6.31 -0.55 3.58 0.01 -1.26 -0.60 113.70 121.55 1zrp s SER 24 Ca -0.07 0.65 -0.07 0.00 1.31 0.00 0.00 55.95 57.77 1zrp s SER 24 Cb -0.11 -2.12 -0.20 0.00 0.21 0.00 0.00 66.02 63.80 1zrp s SER 24 CO 0.01 -0.37 3.37 -2.65 0.41 0.00 0.00 173.24 174.02 1zrp n PRO 25 N -1.80 2.59 0.00 12.44 -0.02 -1.26 -1.98 135.00 144.97 1zrp n PRO 25 Ca -0.02 -1.46 0.00 0.00 -2.02 0.00 0.00 63.50 59.99 1zrp n PRO 25 Cb 0.55 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zrp n GLY 26 N 2.77 0.96 3.78 -1.23 0.00 -1.26 -4.74 105.19 105.48 1zrp n GLY 26 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.09 3.56 0.43 2.61 2.01 -0.84 -5.04 115.64 118.29 1zrp s THR 27 Ca 0.00 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.15 1zrp s THR 27 Cb 0.00 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1zrp s THR 27 CO 0.00 -0.08 0.60 -0.54 -0.69 0.00 0.00 174.62 173.91 1zrp s LYS 28 N -2.82 2.90 0.02 4.92 3.01 -1.26 -4.69 119.74 121.83 1zrp s LYS 28 Ca 0.63 -0.93 -0.18 0.00 -1.01 0.00 0.00 55.97 54.48 1zrp s LYS 28 Cb -0.22 -2.68 -0.10 0.00 -1.01 0.00 0.00 37.83 33.82 1zrp s LYS 28 CO 0.27 -0.27 1.19 0.35 0.51 0.00 0.00 175.35 177.40 1zrp h PHE 29 N 0.55 -0.61 0.00 3.18 3.57 -1.96 -0.61 116.94 121.07 1zrp h PHE 29 Ca -0.43 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1zrp h PHE 29 Cb 1.27 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1zrp h PHE 29 CO 0.41 -0.38 0.00 -1.91 -2.23 0.00 0.00 178.31 174.20 1zrp n GLU 30 N -3.88 0.95 -0.76 1.11 0.00 -1.26 0.58 120.64 117.37 1zrp n GLU 30 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.10 1zrp n GLU 30 Cb 0.26 -1.16 0.29 0.00 0.00 0.00 0.00 31.44 30.83 1zrp n GLU 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1zrp n GLU 31 N -0.66 3.40 -2.47 5.31 1.02 -0.36 -4.96 120.64 121.91 1zrp n GLU 31 Ca 0.07 -3.03 -0.24 0.00 -0.02 0.00 0.00 57.16 53.94 1zrp n GLU 31 Cb 0.03 -2.04 0.04 0.00 -0.02 0.00 0.00 31.44 29.45 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zrp s LEU 32 N -2.93 3.15 0.62 -4.62 1.43 0.20 -4.57 118.68 111.95 1zrp s LEU 32 Ca 0.49 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.77 1zrp s LEU 32 Cb 0.40 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1zrp s LEU 32 CO 0.11 -1.23 1.01 -2.65 0.23 0.00 0.00 176.35 173.82 1zrp n PRO 33 N -2.57 0.90 0.10 1.29 -0.02 -1.26 -4.92 135.00 128.53 1zrp n PRO 33 Ca 0.06 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.87 1zrp n PRO 33 Cb 0.59 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.44 0.00 0.21 2.55 5.19 -1.98 -1.15 116.42 121.68 1zrp h ASP 34 Ca -0.49 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.91 1zrp h ASP 34 Cb 1.36 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 1zrp h ASP 34 CO 0.51 0.77 -0.07 -0.78 -3.12 0.00 0.00 179.24 176.54 1zrp h ASP 35 N 0.00 0.00 -2.14 6.45 3.58 -2.05 -3.44 116.42 118.82 1zrp h ASP 35 Ca -0.01 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.86 1zrp h ASP 35 Cb 1.46 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.50 1zrp h ASP 35 CO 0.10 0.07 1.43 0.86 -2.88 0.00 0.00 179.24 178.83 1zrp s TRP 36 N -4.39 1.29 0.38 0.28 -0.00 -0.44 -4.93 118.94 111.14 1zrp s TRP 36 Ca -0.04 0.49 0.07 0.00 -0.00 0.00 0.00 56.10 56.63 1zrp s TRP 36 Cb 0.14 -3.98 -0.07 0.00 -0.00 0.00 0.00 33.47 29.56 1zrp s TRP 36 CO 0.57 -3.98 -0.02 0.14 -0.00 0.00 0.00 176.95 173.67 1zrp s VAL 37 N 7.77 2.00 0.04 5.86 -7.23 -1.26 -1.60 120.40 125.97 1zrp s VAL 37 Ca 0.96 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 1zrp s VAL 37 Cb -0.32 -2.88 -0.08 0.00 0.56 0.00 0.00 36.38 33.66 1zrp s VAL 37 CO 0.35 -0.06 1.79 0.00 -0.31 0.00 0.00 175.10 176.87 1zrp h PRO 39 N 9.42 0.00 0.00 0.00 0.13 -1.93 -1.73 132.00 137.90 1zrp h PRO 39 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1zrp h PRO 39 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.82 1zrp n ILE 40 N -2.75 0.00 0.13 -3.56 -0.00 -1.26 -4.85 119.36 107.07 1zrp n ILE 40 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.77 1zrp n ILE 40 Cb 0.09 -0.64 0.03 0.00 -0.00 0.00 0.00 39.64 39.12 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 1.23 2.32 3.64 0.00 0.00 -0.65 -5.03 105.19 106.71 1zrp n GLY 42 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.29 3.28 1.05 4.61 0.00 -1.26 -4.02 121.76 123.14 1zrp s ALA 43 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 1zrp s ALA 43 Cb 0.00 -3.91 -0.07 0.00 0.00 0.00 0.00 23.12 19.14 1zrp s ALA 43 CO 0.00 -1.99 -0.86 -0.35 0.00 0.00 0.00 175.76 172.57 1zrp n PRO 44 N 7.91 -0.63 0.03 0.00 -0.04 -1.26 0.59 135.00 141.60 1zrp n PRO 44 Ca 0.23 -0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1zrp n PRO 44 Cb 0.43 -1.30 0.14 0.00 -0.04 0.00 0.00 33.50 32.73 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1zrp n LYS 45 N 0.61 0.03 0.25 0.54 2.85 -0.63 -1.21 118.16 120.60 1zrp n LYS 45 Ca -0.01 0.50 0.09 0.00 -1.05 0.00 0.00 58.31 57.85 1zrp n LYS 45 Cb 0.69 -1.59 0.66 0.00 -0.65 0.00 0.00 35.03 34.13 1zrp n LYS 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1zrp h SER 46 N 0.00 0.00 -0.58 -5.58 0.87 -1.87 -1.99 113.55 104.41 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zrp h SER 46 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zrp h SER 46 CO 0.00 0.08 0.00 -0.62 -0.53 0.00 0.00 176.83 175.76 1zrp n GLU 47 N -4.21 3.71 -3.60 2.24 -0.58 -0.35 -4.72 120.64 113.14 1zrp n GLU 47 Ca -0.03 -2.65 -0.40 0.00 -0.42 0.00 0.00 57.16 53.66 1zrp n GLU 47 Cb 0.16 -1.92 -0.09 0.00 -0.57 0.00 0.00 31.44 29.03 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 -1.99 3.48 0.26 -0.32 0.40 -0.75 -2.04 117.98 117.02 1zrp s PHE 48 Ca 0.47 -2.11 -0.18 0.00 -0.60 0.00 0.00 56.93 54.51 1zrp s PHE 48 Cb 0.32 -3.44 -0.08 0.00 0.51 0.00 0.00 43.02 40.32 1zrp s PHE 48 CO 0.21 -0.97 0.72 -1.21 0.70 0.00 0.00 175.22 174.67 1zrp s GLU 49 N 0.99 4.15 0.38 0.44 0.41 0.20 -4.76 118.70 120.51 1zrp s GLU 49 Ca 0.09 0.78 -0.25 0.00 -0.41 0.00 0.00 54.97 55.18 1zrp s GLU 49 Cb -0.23 -2.71 -0.09 0.00 -1.78 0.00 0.00 34.13 29.31 1zrp s GLU 49 CO -0.02 0.31 1.05 0.15 -0.49 0.00 0.00 175.26 176.26 1zrp s LYS 50 N -2.35 4.26 -0.44 1.61 1.02 -1.26 0.56 119.74 123.14 1zrp s LYS 50 Ca 0.47 1.55 0.06 0.00 0.02 0.00 0.00 55.97 58.07 1zrp s LYS 50 Cb -0.14 -2.66 0.18 0.00 -0.52 0.00 0.00 37.83 34.68 1zrp s LYS 50 CO 0.20 -0.06 0.57 -0.51 -0.92 0.00 0.00 175.35 174.62 1zrp s LEU 51 N -2.41 -0.84 0.04 3.17 1.43 -0.90 -4.85 118.68 114.32 1zrp s LEU 51 Ca 0.55 -1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 1zrp s LEU 51 Cb -0.24 1.35 -0.09 0.00 0.03 0.00 0.00 46.19 47.25 1zrp s LEU 51 CO 0.30 -0.15 1.87 -0.70 0.23 0.00 0.00 176.35 177.90 1zrp s GLU 52 N 1.22 4.15 0.00 1.70 2.12 -1.25 -4.55 118.70 122.08 1zrp s GLU 52 Ca 0.23 2.53 0.27 0.00 0.36 0.00 0.00 54.97 58.35 1zrp s GLU 52 Cb -0.04 -3.98 0.74 0.00 0.26 0.00 0.00 34.13 31.10 1zrp s GLU 52 CO -0.07 -0.90 1.57 -3.47 -0.54 0.00 0.00 175.26 171.85