#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 0.15 -0.01 0.00 1.02 -1.26 -2.09 119.74 117.55 1zrp s LYS 2 Ca 0.00 0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.18 1zrp s LYS 2 Cb 0.00 -0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 36.93 1zrp s LYS 2 CO 0.00 -0.13 -0.26 -1.58 -0.92 0.00 0.00 175.35 172.46 1zrp s TRP 3 N 0.93 2.29 -0.06 3.18 0.52 0.52 -1.71 118.94 124.61 1zrp s TRP 3 Ca -0.09 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 55.66 1zrp s TRP 3 Cb -0.12 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 1zrp s TRP 3 CO -0.02 -0.02 -0.25 0.54 0.02 0.00 0.00 176.95 177.22 1zrp s VAL 4 N -0.62 2.09 -0.50 4.03 0.11 -0.01 0.58 120.40 126.08 1zrp s VAL 4 Ca 0.10 -1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 57.82 1zrp s VAL 4 Cb -0.10 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.00 1zrp s VAL 4 CO -0.01 0.57 1.51 0.00 -3.33 0.00 0.00 175.10 173.84 1zrp h LYS 6 N 11.64 0.00 0.14 0.00 1.63 -1.68 -2.01 116.57 126.28 1zrp h LYS 6 Ca -0.28 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 1zrp h LYS 6 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1zrp h LYS 6 CO 1.14 0.02 -0.07 0.82 -3.45 0.00 0.00 179.45 177.92 1zrp h ILE 7 N 0.00 0.14 0.05 2.00 5.03 -1.88 -3.41 117.51 119.43 1zrp h ILE 7 Ca -0.00 -0.95 -0.38 0.00 -0.12 0.00 0.00 64.86 63.41 1zrp h ILE 7 Cb 0.14 0.26 -0.05 0.00 -3.03 0.00 0.00 36.82 34.14 1zrp h ILE 7 CO 0.00 0.04 -2.23 0.00 -0.68 0.00 0.00 178.15 175.29 1zrp n GLY 9 N 2.03 1.21 4.00 0.00 0.00 -0.76 -5.12 105.19 106.54 1zrp n GLY 9 Ca -0.41 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 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 2.97 -0.10 1.61 5.04 -1.24 -4.95 117.35 118.67 1zrp s TYR 10 Ca 0.00 -0.29 -0.05 0.00 -2.44 0.00 0.00 57.07 54.29 1zrp s TYR 10 Cb 0.00 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 40.15 1zrp s TYR 10 CO 0.00 -0.24 0.24 0.42 -1.34 0.00 0.00 175.55 174.63 1zrp s ILE 11 N -2.28 -0.06 -0.01 3.14 1.09 -1.26 0.58 121.20 122.40 1zrp s ILE 11 Ca 0.50 0.16 -0.24 0.00 -1.10 0.00 0.00 60.65 59.97 1zrp s ILE 11 Cb -0.10 -0.37 -0.05 0.00 -1.06 0.00 0.00 42.46 40.88 1zrp s ILE 11 CO 0.32 0.06 0.71 -0.47 -0.10 0.00 0.00 174.94 175.47 1zrp s TYR 12 N 1.31 3.67 -0.23 3.97 5.04 0.20 -4.95 117.35 126.35 1zrp s TYR 12 Ca -0.09 1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1zrp s TYR 12 Cb -0.11 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.45 1zrp s TYR 12 CO -0.08 0.22 -0.10 0.34 -1.34 0.00 0.00 175.55 174.59 1zrp s ASP 13 N 0.24 4.02 0.44 4.32 2.15 -1.26 -0.35 116.67 126.23 1zrp s ASP 13 Ca 0.37 -0.79 0.23 0.00 0.43 0.00 0.00 52.55 52.80 1zrp s ASP 13 Cb -0.19 -1.62 0.96 0.00 -0.30 0.00 0.00 42.92 41.77 1zrp s ASP 13 CO 0.20 -0.08 1.85 -0.33 -0.17 0.00 0.00 175.17 176.64 1zrp h GLU 14 N 7.99 0.00 0.00 4.34 5.08 -1.71 0.52 114.58 130.80 1zrp h GLU 14 Ca -0.36 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 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 0.59 0.24 -0.40 0.22 -1.00 0.00 0.00 179.01 178.65 1zrp h ASP 15 N 0.00 0.00 0.00 1.42 3.58 -1.88 -2.79 116.42 116.74 1zrp h ASP 15 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1zrp h ASP 15 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1zrp h ASP 15 CO 0.03 0.40 -1.57 0.00 -2.88 0.00 0.00 179.24 175.23 1zrp n ALA 16 N -2.38 2.85 -0.64 -0.78 0.00 -0.40 -4.60 120.51 114.56 1zrp n ALA 16 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.09 1zrp n ALA 16 Cb 0.47 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 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 1.55 -1.85 2.42 0.00 0.00 0.17 -4.54 105.19 102.93 1zrp n GLY 17 Ca -0.02 -1.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.99 1.55 0.32 1.61 2.03 -0.67 -4.64 116.55 114.77 1zrp n ASP 18 Ca 0.00 -3.02 0.12 0.00 0.52 0.00 0.00 54.79 52.42 1zrp n ASP 18 Cb 0.20 -0.58 0.64 0.00 -0.72 0.00 0.00 41.12 40.66 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 2.98 0.00 -0.04 -0.67 0.11 -1.11 0.26 132.00 133.52 1zrp h PRO 19 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1zrp h PRO 19 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1zrp h PRO 19 CO 0.55 0.00 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.86 1zrp h ASP 20 N 0.00 0.05 0.00 -2.05 5.19 -1.91 -2.50 116.42 115.20 1zrp h ASP 20 Ca 0.00 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 1zrp h ASP 20 Cb 0.90 -0.01 -0.09 0.00 0.18 0.00 0.00 39.33 40.31 1zrp h ASP 20 CO 0.00 0.10 -0.51 0.59 -3.12 0.00 0.00 179.24 176.30 1zrp n ASN 21 N -4.46 1.07 -0.51 6.45 3.02 0.69 -4.98 115.26 116.54 1zrp n ASN 21 Ca -0.02 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.96 1zrp n ASN 21 Cb 0.14 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.40 0.84 3.31 7.41 0.00 -0.68 -5.08 105.19 110.60 1zrp n GLY 22 Ca 0.08 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.78 2.65 0.22 -0.61 1.09 0.05 -4.91 121.20 116.92 1zrp s ILE 23 Ca 0.00 -0.81 -0.11 0.00 -1.10 0.00 0.00 60.65 58.63 1zrp s ILE 23 Cb 0.00 -2.07 -0.07 0.00 -1.06 0.00 0.00 42.46 39.25 1zrp s ILE 23 CO 0.00 0.54 0.56 -0.55 -0.10 0.00 0.00 174.94 175.39 1zrp s SER 24 N 0.30 6.66 -0.85 3.58 0.15 -1.26 -0.56 113.70 121.72 1zrp s SER 24 Ca -0.13 0.96 -0.21 0.00 0.70 0.00 0.00 55.95 57.27 1zrp s SER 24 Cb -0.16 -2.24 -0.20 0.00 -1.71 0.00 0.00 66.02 61.70 1zrp s SER 24 CO 0.07 -0.05 2.30 -2.65 1.20 0.00 0.00 173.24 174.11 1zrp n PRO 25 N 0.01 0.37 0.00 5.44 -0.02 -1.26 -1.09 135.00 138.44 1zrp n PRO 25 Ca -0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 1zrp n PRO 25 Cb 0.52 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 6.36 0.62 3.87 -1.23 0.00 -1.05 -4.97 105.19 108.79 1zrp n GLY 26 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.69 4.89 0.24 2.61 2.01 -0.25 -5.08 115.64 119.38 1zrp s THR 27 Ca 0.00 0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1zrp s THR 27 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1zrp s THR 27 CO 0.00 -0.17 0.21 -0.75 -0.69 0.00 0.00 174.62 173.22 1zrp s LYS 28 N -3.05 2.98 0.02 4.92 2.20 -1.26 -4.74 119.74 120.81 1zrp s LYS 28 Ca 0.48 -1.01 -0.16 0.00 -0.36 0.00 0.00 55.97 54.93 1zrp s LYS 28 Cb -0.11 -2.60 -0.09 0.00 -1.51 0.00 0.00 37.83 33.52 1zrp s LYS 28 CO 0.23 0.41 1.15 0.35 -0.36 0.00 0.00 175.35 177.13 1zrp h PHE 29 N 1.54 -0.52 0.00 4.03 3.57 -1.97 0.55 116.94 124.13 1zrp h PHE 29 Ca -0.49 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1zrp h PHE 29 Cb 1.23 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1zrp h PHE 29 CO 0.55 -0.33 0.00 0.39 -2.23 0.00 0.00 178.31 176.69 1zrp n GLU 30 N -3.63 0.95 -0.40 1.11 -0.58 -1.26 0.59 120.64 117.42 1zrp n GLU 30 Ca -0.07 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.74 1zrp n GLU 30 Cb 0.22 -1.18 0.21 0.00 -0.57 0.00 0.00 31.44 30.12 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1zrp n GLU 31 N -0.68 2.15 -1.73 3.49 0.00 -0.36 -5.01 120.64 118.51 1zrp n GLU 31 Ca 0.08 -2.85 -0.29 0.00 0.00 0.00 0.00 57.16 54.10 1zrp n GLU 31 Cb 0.04 -1.72 0.13 0.00 0.00 0.00 0.00 31.44 29.88 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 -2.94 2.26 0.78 4.31 1.43 0.20 -4.49 118.68 120.23 1zrp s LEU 32 Ca 0.39 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.10 1zrp s LEU 32 Cb 0.34 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1zrp s LEU 32 CO 0.05 -2.39 0.40 -2.65 0.23 0.00 0.00 176.35 171.99 1zrp n PRO 33 N -3.63 0.15 -0.01 1.29 -0.02 -1.26 -4.91 135.00 126.62 1zrp n PRO 33 Ca 0.09 0.09 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1zrp n PRO 33 Cb 0.60 -1.75 -0.06 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 -0.64 0.11 -0.79 2.55 5.19 -1.99 -2.38 116.42 118.48 1zrp h ASP 34 Ca -0.45 -0.11 -0.36 0.00 -0.62 0.00 0.00 57.03 55.49 1zrp h ASP 34 Cb 1.34 -0.03 -0.22 0.00 0.18 0.00 0.00 39.33 40.60 1zrp h ASP 34 CO 0.40 0.19 0.40 0.47 -3.12 0.00 0.00 179.24 177.57 1zrp n ASP 35 N -4.97 3.79 -4.70 6.45 9.92 -1.26 -4.96 116.55 120.82 1zrp n ASP 35 Ca -0.06 -3.53 -0.42 0.00 -0.53 0.00 0.00 54.79 50.26 1zrp n ASP 35 Cb 0.08 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 39.76 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1zrp s TRP 36 N -3.20 2.51 0.25 1.24 -0.00 -0.90 -4.84 118.94 114.00 1zrp s TRP 36 Ca 0.54 0.23 0.04 0.00 -0.00 0.00 0.00 56.10 56.90 1zrp s TRP 36 Cb 0.45 -4.09 -0.05 0.00 -0.00 0.00 0.00 33.47 29.78 1zrp s TRP 36 CO 0.09 -4.31 0.00 0.14 -0.00 0.00 0.00 176.95 172.87 1zrp s VAL 37 N 2.13 1.12 -0.04 5.86 -7.23 -1.26 -1.08 120.40 119.89 1zrp s VAL 37 Ca 0.76 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 1zrp s VAL 37 Cb -0.45 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1zrp s VAL 37 CO 0.34 -0.26 1.39 0.00 -0.31 0.00 0.00 175.10 176.26 1zrp h PRO 39 N 8.13 0.00 0.00 0.00 0.13 -1.98 -1.63 132.00 136.64 1zrp h PRO 39 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1zrp h PRO 39 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1zrp h PRO 39 CO 0.92 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.80 1zrp n ILE 40 N -2.80 0.00 0.14 -3.56 -0.00 -1.26 -4.85 119.36 107.03 1zrp n ILE 40 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.76 1zrp n ILE 40 Cb 0.07 -0.64 0.04 0.00 -0.00 0.00 0.00 39.64 39.11 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 1.22 0.84 3.82 0.00 0.00 -0.62 -5.02 105.19 105.43 1zrp n GLY 42 Ca 0.02 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.51 3.62 1.08 4.61 0.00 -1.26 -4.70 121.76 122.60 1zrp s ALA 43 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1zrp s ALA 43 Cb 0.00 -2.54 0.08 0.00 0.00 0.00 0.00 23.12 20.66 1zrp s ALA 43 CO 0.00 0.43 0.04 -2.30 0.00 0.00 0.00 175.76 173.93 1zrp n PRO 44 N 1.64 -1.28 0.07 0.00 -0.02 -1.26 0.59 135.00 134.74 1zrp n PRO 44 Ca -0.11 -0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.07 1zrp n PRO 44 Cb 0.51 -1.71 0.27 0.00 -0.02 0.00 0.00 33.50 32.56 1zrp n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1zrp n LYS 45 N -1.83 0.06 -0.63 -0.52 4.81 -0.24 -0.28 118.16 119.52 1zrp n LYS 45 Ca 0.02 0.54 0.02 0.00 -0.87 0.00 0.00 58.31 58.02 1zrp n LYS 45 Cb 0.61 -1.70 0.25 0.00 0.02 0.00 0.00 35.03 34.21 1zrp n LYS 45 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1zrp n SER 46 N -1.84 4.10 -0.05 3.14 2.88 -1.26 -1.86 113.62 118.75 1zrp n SER 46 Ca -0.00 -2.68 0.02 0.00 -1.33 0.00 0.00 58.87 54.88 1zrp n SER 46 Cb 0.03 -0.64 0.03 0.00 -0.75 0.00 0.00 64.21 62.88 1zrp n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zrp n GLU 47 N 0.29 2.00 -3.56 -1.46 -0.58 0.61 -4.93 120.64 113.01 1zrp n GLU 47 Ca 0.21 -1.58 -0.41 0.00 -0.42 0.00 0.00 57.16 54.97 1zrp n GLU 47 Cb 0.94 -1.02 -0.09 0.00 -0.57 0.00 0.00 31.44 30.71 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 -1.24 3.42 0.00 -0.32 0.40 -0.78 -1.98 117.98 117.48 1zrp s PHE 48 Ca 0.07 -1.84 0.00 0.00 -0.60 0.00 0.00 56.93 54.57 1zrp s PHE 48 Cb 0.07 -3.42 0.00 0.00 0.51 0.00 0.00 43.02 40.17 1zrp s PHE 48 CO 0.01 -0.97 0.00 0.39 0.70 0.00 0.00 175.22 175.34 1zrp n GLU 49 N 4.90 0.09 -4.22 0.44 -0.58 0.20 -4.74 120.64 116.74 1zrp n GLU 49 Ca -0.08 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.49 1zrp n GLU 49 Cb 0.41 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.17 1zrp n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1zrp s LYS 50 N -1.31 0.96 -0.22 3.49 1.02 -1.26 -0.83 119.74 121.58 1zrp s LYS 50 Ca 0.00 -1.18 0.15 0.00 0.02 0.00 0.00 55.97 54.95 1zrp s LYS 50 Cb 0.00 -0.82 0.81 0.00 -0.52 0.00 0.00 37.83 37.30 1zrp s LYS 50 CO 0.00 0.16 1.74 -0.11 -0.92 0.00 0.00 175.35 176.21 1zrp n LEU 51 N 0.64 5.62 -3.90 3.17 7.94 -0.69 -4.84 117.00 124.94 1zrp n LEU 51 Ca -0.16 -2.89 -0.12 0.00 -1.11 0.00 0.00 56.01 51.72 1zrp n LEU 51 Cb 0.57 -0.67 -0.13 0.00 0.53 0.00 0.00 43.42 43.71 1zrp n LEU 51 CO 0.26 0.65 -0.36 -1.61 -1.11 0.00 0.00 177.39 175.22 1zrp s GLU 52 N -2.69 0.11 0.00 1.96 8.01 -1.26 -4.97 118.70 119.86 1zrp s GLU 52 Ca 0.54 -0.15 0.00 0.00 0.01 0.00 0.00 54.97 55.37 1zrp s GLU 52 Cb 0.41 -0.02 0.00 0.00 -4.31 0.00 0.00 34.13 30.21 1zrp s GLU 52 CO 0.17 0.00 0.00 -3.47 0.01 0.00 0.00 175.26 171.97