#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 3.06 -0.17 0.00 0.00 -1.26 -2.24 119.74 119.13 1zrp s LYS 2 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 55.97 55.12 1zrp s LYS 2 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 37.83 35.24 1zrp s LYS 2 CO 0.00 -0.12 -0.03 -1.58 0.00 0.00 0.00 175.35 173.62 1zrp s TRP 3 N 1.09 3.02 -0.13 1.78 0.52 0.39 -2.26 118.94 123.35 1zrp s TRP 3 Ca -0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.70 1zrp s TRP 3 Cb -0.14 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 1zrp s TRP 3 CO -0.07 -0.12 -0.02 0.54 0.02 0.00 0.00 176.95 177.29 1zrp s VAL 4 N 0.59 4.04 -0.41 4.03 0.11 0.17 0.59 120.40 129.51 1zrp s VAL 4 Ca -0.02 -0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 1zrp s VAL 4 Cb -0.14 -2.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 1zrp s VAL 4 CO 0.02 0.53 1.92 0.00 -3.33 0.00 0.00 175.10 174.24 1zrp h LYS 6 N 14.29 0.00 0.13 0.00 3.11 -1.71 -1.97 116.57 130.43 1zrp h LYS 6 Ca -0.31 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.52 1zrp h LYS 6 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1zrp h LYS 6 CO 1.08 0.02 -0.06 0.82 -2.81 0.00 0.00 179.45 178.50 1zrp h ILE 7 N 0.00 0.02 0.05 2.00 5.03 -1.87 -3.42 117.51 119.32 1zrp h ILE 7 Ca -0.00 -0.88 -0.38 0.00 -0.12 0.00 0.00 64.86 63.48 1zrp h ILE 7 Cb 0.10 0.04 -0.05 0.00 -3.03 0.00 0.00 36.82 33.88 1zrp h ILE 7 CO 0.00 0.01 -2.20 0.00 -0.68 0.00 0.00 178.15 175.28 1zrp n GLY 9 N 1.98 1.59 3.97 0.00 0.00 -0.74 -5.12 105.19 106.87 1zrp n GLY 9 Ca -0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 2.98 0.22 1.61 5.04 -1.24 -4.94 117.35 119.01 1zrp s TYR 10 Ca 0.00 0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.61 1zrp s TYR 10 Cb 0.00 -2.54 -0.03 0.00 0.35 0.00 0.00 41.96 39.74 1zrp s TYR 10 CO 0.00 -0.63 0.20 0.42 -1.34 0.00 0.00 175.55 174.20 1zrp s ILE 11 N -2.62 0.00 -0.24 3.14 1.09 -1.26 0.59 121.20 121.89 1zrp s ILE 11 Ca 0.54 -1.90 -0.03 0.00 -1.10 0.00 0.00 60.65 58.16 1zrp s ILE 11 Cb -0.10 -2.46 0.13 0.00 -1.06 0.00 0.00 42.46 38.97 1zrp s ILE 11 CO 0.37 0.00 0.36 -0.47 -0.10 0.00 0.00 174.94 175.10 1zrp s TYR 12 N -4.09 -0.75 -0.42 3.97 5.04 0.20 -4.93 117.35 116.38 1zrp s TYR 12 Ca 0.36 0.73 -0.19 0.00 -2.44 0.00 0.00 57.07 55.53 1zrp s TYR 12 Cb 0.05 -0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.34 1zrp s TYR 12 CO 0.12 -0.71 0.54 0.34 -1.34 0.00 0.00 175.55 174.50 1zrp s ASP 13 N 2.51 6.27 0.55 4.32 2.15 -1.26 -0.46 116.67 130.75 1zrp s ASP 13 Ca 0.12 -0.42 0.37 0.00 0.43 0.00 0.00 52.55 53.04 1zrp s ASP 13 Cb -0.15 -2.27 1.97 0.00 -0.30 0.00 0.00 42.92 42.17 1zrp s ASP 13 CO -0.16 -0.65 2.13 -0.33 -0.17 0.00 0.00 175.17 175.99 1zrp h GLU 14 N 8.75 0.00 0.00 4.34 5.08 -1.69 0.24 114.58 131.30 1zrp h GLU 14 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1zrp h GLU 14 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1zrp h GLU 14 CO 0.83 0.00 -1.24 -3.47 -1.00 0.00 0.00 179.01 174.13 1zrp n ASP 15 N -2.82 0.57 0.02 1.42 2.03 -1.26 -0.14 116.55 116.37 1zrp n ASP 15 Ca -0.02 0.08 0.05 0.00 0.52 0.00 0.00 54.79 55.42 1zrp n ASP 15 Cb 0.08 0.92 -0.10 0.00 -0.72 0.00 0.00 41.12 41.30 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 -2.08 2.32 -0.18 -1.67 0.00 -0.45 -3.13 120.51 115.32 1zrp n ALA 16 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1zrp n ALA 16 Cb 0.52 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.63 2.66 0.00 0.00 0.73 -3.59 105.19 105.71 1zrp n GLY 17 Ca -0.09 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.15 -2.26 0.09 1.61 2.03 -0.76 -4.67 116.55 112.43 1zrp n ASP 18 Ca 0.00 -3.34 0.20 0.00 0.52 0.00 0.00 54.79 52.18 1zrp n ASP 18 Cb 0.00 1.49 0.74 0.00 -0.72 0.00 0.00 41.12 42.63 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1zrp h PRO 19 N 3.69 0.00 0.00 -0.67 0.11 -1.01 0.58 132.00 134.69 1zrp h PRO 19 Ca -0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 1zrp h PRO 19 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1zrp h PRO 19 CO 0.30 0.00 -0.63 -0.44 -0.21 0.00 0.00 178.00 177.02 1zrp h ASP 20 N 0.00 0.00 -0.27 -2.05 3.32 -1.95 -2.18 116.42 113.29 1zrp h ASP 20 Ca 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1zrp h ASP 20 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1zrp h ASP 20 CO -0.00 0.63 0.00 0.59 -1.72 0.00 0.00 179.24 178.73 1zrp n ASN 21 N -3.72 3.70 -1.38 6.45 3.02 -0.57 -4.96 115.26 117.81 1zrp n ASN 21 Ca -0.01 -3.11 -0.04 0.00 -0.03 0.00 0.00 54.58 51.39 1zrp n ASN 21 Cb 0.64 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.61 0.38 3.40 7.41 0.00 -0.61 -5.03 105.19 110.14 1zrp n GLY 22 Ca 0.23 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.07 2.58 0.17 -0.61 1.09 0.19 -4.89 121.20 116.66 1zrp s ILE 23 Ca 0.03 -1.01 -0.10 0.00 -1.10 0.00 0.00 60.65 58.47 1zrp s ILE 23 Cb -0.01 -1.99 -0.07 0.00 -1.06 0.00 0.00 42.46 39.33 1zrp s ILE 23 CO 0.14 0.52 0.50 -0.55 -0.10 0.00 0.00 174.94 175.45 1zrp s SER 24 N -0.87 6.66 -0.83 3.58 0.15 -1.26 -0.40 113.70 120.73 1zrp s SER 24 Ca 0.12 0.89 -0.24 0.00 0.70 0.00 0.00 55.95 57.42 1zrp s SER 24 Cb -0.10 -2.22 -0.17 0.00 -1.71 0.00 0.00 66.02 61.82 1zrp s SER 24 CO 0.01 0.03 2.36 -0.81 1.20 0.00 0.00 173.24 176.03 1zrp n PRO 25 N 0.30 0.46 0.00 5.44 -0.04 -1.24 -1.18 135.00 138.74 1zrp n PRO 25 Ca -0.03 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1zrp n PRO 25 Cb 0.52 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zrp n GLY 26 N 6.60 0.71 3.79 0.55 0.00 0.81 -4.78 105.19 112.87 1zrp n GLY 26 Ca 0.49 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.80 3.87 0.41 2.61 2.01 -0.33 -4.89 115.64 118.52 1zrp s THR 27 Ca 0.00 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.26 1zrp s THR 27 Cb 0.00 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1zrp s THR 27 CO 0.00 -0.14 0.66 -0.54 -0.69 0.00 0.00 174.62 173.91 1zrp s LYS 28 N -2.88 3.50 0.02 4.92 3.01 -1.26 -4.52 119.74 122.53 1zrp s LYS 28 Ca 0.62 -0.10 -0.16 0.00 -1.01 0.00 0.00 55.97 55.31 1zrp s LYS 28 Cb -0.18 -2.53 -0.09 0.00 -1.01 0.00 0.00 37.83 34.02 1zrp s LYS 28 CO 0.22 -0.02 1.15 0.35 0.51 0.00 0.00 175.35 177.57 1zrp h PHE 29 N 0.51 -0.55 0.00 3.18 3.57 -1.96 0.66 116.94 122.35 1zrp h PHE 29 Ca -0.48 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1zrp h PHE 29 Cb 1.21 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1zrp h PHE 29 CO 0.54 -0.34 0.00 -0.85 -2.23 0.00 0.00 178.31 175.43 1zrp n GLU 30 N -3.71 0.95 -0.45 1.11 0.00 -1.26 0.52 120.64 117.80 1zrp n GLU 30 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.17 1zrp n GLU 30 Cb 0.23 -1.09 0.26 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 -0.59 2.89 -1.78 3.44 0.00 -0.31 -4.97 120.64 119.31 1zrp n GLU 31 Ca 0.04 -2.85 -0.29 0.00 0.00 0.00 0.00 57.16 54.06 1zrp n GLU 31 Cb 0.02 -1.85 0.13 0.00 0.00 0.00 0.00 31.44 29.74 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1zrp s LEU 32 N -2.85 2.35 1.04 4.31 1.43 0.19 -4.58 118.68 120.57 1zrp s LEU 32 Ca 0.42 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 1zrp s LEU 32 Cb 0.34 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 43.63 1zrp s LEU 32 CO 0.09 -2.36 0.14 -2.65 0.23 0.00 0.00 176.35 171.79 1zrp n PRO 33 N -3.60 -0.93 0.11 1.29 -0.02 -1.26 -4.86 135.00 125.73 1zrp n PRO 33 Ca 0.10 -0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 1zrp n PRO 33 Cb 0.60 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.79 -0.19 -1.16 2.55 3.32 -1.99 -2.45 116.42 114.71 1zrp h ASP 34 Ca -0.49 -0.06 -0.62 0.00 0.02 0.00 0.00 57.03 55.89 1zrp h ASP 34 Cb 1.32 0.05 -0.38 0.00 0.22 0.00 0.00 39.33 40.54 1zrp h ASP 34 CO 0.36 -0.07 -0.20 0.47 -1.72 0.00 0.00 179.24 178.08 1zrp n ASP 35 N -5.15 5.78 -4.64 6.45 8.00 -1.26 -5.04 116.55 120.69 1zrp n ASP 35 Ca -0.09 -3.76 -0.42 0.00 0.71 0.00 0.00 54.79 51.23 1zrp n ASP 35 Cb 0.14 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 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 -3.69 1.32 0.37 1.24 -0.00 -0.93 -4.87 118.94 112.39 1zrp s TRP 36 Ca 0.53 -0.13 0.04 0.00 -0.00 0.00 0.00 56.10 56.54 1zrp s TRP 36 Cb 0.43 -4.14 -0.06 0.00 -0.00 0.00 0.00 33.47 29.71 1zrp s TRP 36 CO -0.09 -4.99 0.05 0.14 -0.00 0.00 0.00 176.95 172.06 1zrp s VAL 37 N 5.45 1.28 -0.08 5.86 -7.23 -1.26 -1.55 120.40 122.88 1zrp s VAL 37 Ca 0.90 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 1zrp s VAL 37 Cb -0.39 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 1zrp s VAL 37 CO 0.39 0.00 1.72 0.00 -0.31 0.00 0.00 175.10 176.90 1zrp h PRO 39 N 10.22 0.00 0.00 0.00 0.13 -1.97 -1.92 132.00 138.45 1zrp h PRO 39 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1zrp h PRO 39 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1zrp h PRO 39 CO 0.96 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.84 1zrp n ILE 40 N -3.22 0.00 0.10 -3.56 -0.00 -1.26 -4.84 119.36 106.58 1zrp n ILE 40 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.73 1zrp n ILE 40 Cb 0.16 -0.46 -0.03 0.00 -0.00 0.00 0.00 39.64 39.31 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 1.30 1.51 3.50 0.00 0.00 -0.72 -5.05 105.19 105.72 1zrp n GLY 42 Ca -0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 3.42 1.04 4.61 0.00 -1.26 -4.69 121.76 122.88 1zrp s ALA 43 Ca 0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 1zrp s ALA 43 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 1zrp s ALA 43 CO 0.00 -1.56 -0.67 -0.35 0.00 0.00 0.00 175.76 173.18 1zrp n PRO 44 N 5.72 -0.58 0.09 0.00 -0.04 -1.26 0.42 135.00 139.35 1zrp n PRO 44 Ca -0.06 -0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.31 1zrp n PRO 44 Cb 0.48 -1.34 0.36 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.43 0.09 0.27 0.54 -0.00 -0.59 -1.12 118.16 117.77 1zrp n LYS 45 Ca -0.00 0.56 0.18 0.00 -0.00 0.00 0.00 58.31 59.05 1zrp n LYS 45 Cb 0.65 -1.77 0.90 0.00 -0.00 0.00 0.00 35.03 34.81 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1zrp h SER 46 N 0.00 0.00 -0.39 -5.58 4.64 -1.87 -2.06 113.55 108.29 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1zrp h SER 46 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1zrp n GLU 47 N -2.86 3.19 -3.60 4.77 1.02 -0.28 -4.84 120.64 118.05 1zrp n GLU 47 Ca -0.01 -2.62 -0.40 0.00 -0.02 0.00 0.00 57.16 54.11 1zrp n GLU 47 Cb 0.15 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.77 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1zrp s PHE 48 N -2.01 3.28 0.16 -0.32 0.40 -0.78 -2.11 117.98 116.60 1zrp s PHE 48 Ca 0.39 -1.23 -0.22 0.00 -0.60 0.00 0.00 56.93 55.28 1zrp s PHE 48 Cb 0.27 -2.68 -0.08 0.00 0.51 0.00 0.00 43.02 41.04 1zrp s PHE 48 CO 0.15 -0.75 0.70 -2.00 0.70 0.00 0.00 175.22 174.02 1zrp s GLU 49 N 1.50 4.35 -0.00 0.44 2.12 0.20 -4.76 118.70 122.55 1zrp s GLU 49 Ca 0.02 0.93 -0.24 0.00 0.36 0.00 0.00 54.97 56.04 1zrp s GLU 49 Cb -0.21 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1zrp s GLU 49 CO 0.05 0.53 0.73 0.15 -0.54 0.00 0.00 175.26 176.18 1zrp s LYS 50 N -1.43 4.46 -0.56 4.30 1.02 -1.26 0.42 119.74 126.70 1zrp s LYS 50 Ca 0.36 0.98 0.06 0.00 0.02 0.00 0.00 55.97 57.40 1zrp s LYS 50 Cb -0.20 -3.40 0.31 0.00 -0.52 0.00 0.00 37.83 34.03 1zrp s LYS 50 CO 0.22 0.20 0.85 1.47 -0.92 0.00 0.00 175.35 177.17 1zrp n LEU 51 N 3.20 3.58 -3.93 3.17 -0.00 -0.96 -4.97 117.00 117.10 1zrp n LEU 51 Ca -0.02 -5.48 -0.20 0.00 -0.00 0.00 0.00 56.01 50.31 1zrp n LEU 51 Cb 0.51 -0.35 -0.16 0.00 -0.00 0.00 0.00 43.42 43.42 1zrp n LEU 51 CO 0.47 2.26 -0.42 -0.70 -0.00 0.00 0.00 177.39 179.00 1zrp s GLU 52 N -2.96 0.86 0.00 1.47 -6.30 -1.26 -4.76 118.70 105.75 1zrp s GLU 52 Ca 0.45 -0.18 0.25 0.00 -2.50 0.00 0.00 54.97 52.99 1zrp s GLU 52 Cb 0.25 -0.83 0.41 0.00 0.00 0.00 0.00 34.13 33.96 1zrp s GLU 52 CO -0.10 -0.00 1.38 -0.40 0.02 0.00 0.00 175.26 176.16