#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 0.80 -0.04 0.00 1.02 -1.26 -2.10 119.74 118.16 1zrp s LYS 2 Ca 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 1zrp s LYS 2 Cb 0.00 -0.77 0.03 0.00 -0.52 0.00 0.00 37.83 36.57 1zrp s LYS 2 CO 0.00 0.21 0.03 -1.58 -0.92 0.00 0.00 175.35 173.08 1zrp s TRP 3 N -0.34 0.27 -0.15 3.18 0.52 -0.33 -2.13 118.94 119.97 1zrp s TRP 3 Ca 0.03 0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.18 1zrp s TRP 3 Cb -0.04 -0.50 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 1zrp s TRP 3 CO -0.00 -0.19 -0.00 0.54 0.02 0.00 0.00 176.95 177.32 1zrp s VAL 4 N 1.64 4.22 -0.42 4.03 0.11 0.20 0.59 120.40 130.77 1zrp s VAL 4 Ca -0.01 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.51 1zrp s VAL 4 Cb -0.13 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1zrp s VAL 4 CO -0.03 0.51 1.78 0.00 -3.33 0.00 0.00 175.10 174.03 1zrp h LYS 6 N 13.31 0.00 0.03 0.00 1.63 -1.74 -1.91 116.57 127.89 1zrp h LYS 6 Ca -0.31 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1zrp h LYS 6 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1zrp h LYS 6 CO 1.09 0.06 -0.01 0.82 -3.45 0.00 0.00 179.45 177.96 1zrp h ILE 7 N 0.00 0.00 0.07 2.00 5.03 -1.88 -3.43 117.51 119.30 1zrp h ILE 7 Ca -0.00 -0.03 -0.34 0.00 -0.12 0.00 0.00 64.86 64.37 1zrp h ILE 7 Cb 0.22 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.98 1zrp h ILE 7 CO 0.01 0.00 -1.88 0.00 -0.68 0.00 0.00 178.15 175.60 1zrp n GLY 9 N 1.80 0.89 3.50 0.00 0.00 -0.73 -5.11 105.19 105.55 1zrp n GLY 9 Ca -0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.25 1.37 -0.10 1.61 5.04 -1.25 -4.65 117.35 119.12 1zrp s TYR 10 Ca 0.00 1.22 -0.04 0.00 -2.44 0.00 0.00 57.07 55.80 1zrp s TYR 10 Cb 0.00 -3.12 0.05 0.00 0.35 0.00 0.00 41.96 39.24 1zrp s TYR 10 CO 0.00 -3.82 0.22 0.42 -1.34 0.00 0.00 175.55 171.03 1zrp s ILE 11 N -2.48 -0.16 0.21 3.14 1.09 -1.26 0.59 121.20 122.33 1zrp s ILE 11 Ca 0.68 0.22 -0.30 0.00 -1.10 0.00 0.00 60.65 60.15 1zrp s ILE 11 Cb -0.25 -0.36 -0.08 0.00 -1.06 0.00 0.00 42.46 40.71 1zrp s ILE 11 CO 0.64 0.09 0.95 -0.47 -0.10 0.00 0.00 174.94 176.05 1zrp s TYR 12 N 1.66 3.93 -0.24 3.97 5.04 0.20 -4.94 117.35 126.97 1zrp s TYR 12 Ca -0.05 1.88 0.02 0.00 -2.44 0.00 0.00 57.07 56.48 1zrp s TYR 12 Cb -0.11 -3.01 0.06 0.00 0.35 0.00 0.00 41.96 39.24 1zrp s TYR 12 CO -0.08 0.35 -0.09 0.34 -1.34 0.00 0.00 175.55 174.74 1zrp s ASP 13 N -0.85 4.10 0.59 4.32 2.15 -1.26 -1.18 116.67 124.53 1zrp s ASP 13 Ca 0.43 -1.26 0.35 0.00 0.43 0.00 0.00 52.55 52.50 1zrp s ASP 13 Cb -0.26 -1.36 1.80 0.00 -0.30 0.00 0.00 42.92 42.81 1zrp s ASP 13 CO 0.32 -0.21 2.17 -0.33 -0.17 0.00 0.00 175.17 176.95 1zrp h GLU 14 N 7.87 0.00 -0.15 4.34 5.08 -1.69 0.65 114.58 130.68 1zrp h GLU 14 Ca -0.19 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1zrp h GLU 14 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1zrp h GLU 14 CO 0.44 0.04 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.72 1zrp h ASP 15 N 0.00 0.31 0.00 1.42 5.19 -1.84 -3.05 116.42 118.46 1zrp h ASP 15 Ca -0.00 -0.11 -0.30 0.00 -0.62 0.00 0.00 57.03 55.99 1zrp h ASP 15 Cb 0.23 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.60 1zrp h ASP 15 CO 0.01 0.63 -2.14 0.00 -3.12 0.00 0.00 179.24 174.62 1zrp n ALA 16 N -2.48 1.59 0.00 3.45 0.00 0.51 -4.24 120.51 119.34 1zrp n ALA 16 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1zrp n ALA 16 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 2.01 0.56 2.74 0.00 0.00 0.20 -3.69 105.19 107.00 1zrp n GLY 17 Ca -0.28 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 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 3.52 -2.76 -0.21 1.61 -0.08 -0.95 -4.47 116.55 113.21 1zrp n ASP 18 Ca 0.00 -3.07 0.02 0.00 -1.51 0.00 0.00 54.79 50.23 1zrp n ASP 18 Cb 0.00 1.69 0.12 0.00 2.34 0.00 0.00 41.12 45.27 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1zrp h PRO 19 N 4.01 0.20 0.00 -0.67 0.11 -1.83 0.35 132.00 134.16 1zrp h PRO 19 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1zrp h PRO 19 Cb 1.06 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1zrp h PRO 19 CO 0.23 0.13 0.00 -0.44 -0.21 0.00 0.00 178.00 177.72 1zrp h ASP 20 N 0.21 0.00 -0.10 -2.05 5.19 -1.97 -1.12 116.42 116.57 1zrp h ASP 20 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1zrp h ASP 20 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1zrp h ASP 20 CO -0.48 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.23 1zrp n ASN 21 N -2.71 2.88 -1.19 6.45 3.02 -0.36 -4.96 115.26 118.38 1zrp n ASN 21 Ca 0.02 -1.89 -0.07 0.00 -0.03 0.00 0.00 54.58 52.61 1zrp n ASN 21 Cb 0.34 -0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.22 0.40 3.65 7.41 0.00 0.86 -5.04 105.19 113.69 1zrp n GLY 22 Ca 0.13 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.85 5.05 0.25 -0.61 1.09 0.75 -4.97 121.20 119.90 1zrp s ILE 23 Ca 0.12 0.06 -0.21 0.00 -1.10 0.00 0.00 60.65 59.52 1zrp s ILE 23 Cb -0.05 -3.31 -0.09 0.00 -1.06 0.00 0.00 42.46 37.96 1zrp s ILE 23 CO 0.15 0.42 0.77 -0.55 -0.10 0.00 0.00 174.94 175.63 1zrp s SER 24 N 0.60 7.10 -0.29 3.58 0.15 -1.26 -2.23 113.70 121.35 1zrp s SER 24 Ca 0.05 1.50 -0.25 0.00 0.70 0.00 0.00 55.95 57.96 1zrp s SER 24 Cb -0.12 -2.45 -0.28 0.00 -1.71 0.00 0.00 66.02 61.45 1zrp s SER 24 CO 0.01 0.00 1.58 -0.81 1.20 0.00 0.00 173.24 175.22 1zrp n PRO 25 N 0.64 0.02 0.00 5.44 -0.05 -1.24 -1.12 135.00 138.69 1zrp n PRO 25 Ca -0.01 -1.03 0.00 0.00 -0.05 0.00 0.00 63.50 62.41 1zrp n PRO 25 Cb 0.51 -2.65 0.00 0.00 -0.05 0.00 0.00 33.50 31.31 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 5.11 0.19 3.75 0.55 0.00 -1.15 -4.82 105.19 108.82 1zrp n GLY 26 Ca 0.38 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 2.04 0.33 2.61 2.01 -0.28 -4.97 115.64 117.38 1zrp s THR 27 Ca 0.00 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1zrp s THR 27 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1zrp s THR 27 CO 0.00 0.00 0.46 -0.54 -0.69 0.00 0.00 174.62 173.85 1zrp s LYS 28 N -2.84 3.16 0.02 4.92 1.02 -1.26 -4.67 119.74 120.09 1zrp s LYS 28 Ca 0.70 -0.96 -0.17 0.00 0.02 0.00 0.00 55.97 55.56 1zrp s LYS 28 Cb -0.41 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 1zrp s LYS 28 CO 0.49 0.10 1.16 0.35 -0.92 0.00 0.00 175.35 176.53 1zrp h PHE 29 N 0.91 -0.56 0.00 3.18 3.57 -1.95 0.83 116.94 122.94 1zrp h PHE 29 Ca -0.47 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1zrp h PHE 29 Cb 1.25 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1zrp h PHE 29 CO 0.43 -0.35 0.00 -1.91 -2.23 0.00 0.00 178.31 174.25 1zrp n GLU 30 N -3.73 0.95 -0.31 1.11 2.13 -1.26 0.58 120.64 120.10 1zrp n GLU 30 Ca -0.07 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.82 1zrp n GLU 30 Cb 0.24 -1.11 0.18 0.00 0.27 0.00 0.00 31.44 31.01 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1zrp n GLU 31 N -0.61 1.70 -1.18 5.31 2.13 -0.27 -5.03 120.64 122.68 1zrp n GLU 31 Ca 0.05 -2.82 -0.29 0.00 0.66 0.00 0.00 57.16 54.76 1zrp n GLU 31 Cb 0.02 -1.62 0.20 0.00 0.27 0.00 0.00 31.44 30.31 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1zrp s LEU 32 N -2.97 1.31 0.85 4.31 1.43 0.27 -4.38 118.68 119.50 1zrp s LEU 32 Ca 0.36 0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 1zrp s LEU 32 Cb 0.32 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1zrp s LEU 32 CO 0.02 -3.45 0.09 -2.65 0.23 0.00 0.00 176.35 170.58 1zrp n PRO 33 N -4.36 0.00 -0.12 1.29 -0.02 -1.26 -4.88 135.00 125.65 1zrp n PRO 33 Ca 0.08 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1zrp n PRO 33 Cb 0.58 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.89 0.46 -0.35 2.55 5.19 -2.00 -2.40 116.42 118.98 1zrp h ASP 34 Ca -0.44 -0.09 -0.08 0.00 -0.62 0.00 0.00 57.03 55.80 1zrp h ASP 34 Cb 1.32 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.67 1zrp h ASP 34 CO 0.35 0.43 0.02 0.47 -3.12 0.00 0.00 179.24 177.38 1zrp n ASP 35 N -4.75 3.61 -4.62 6.45 8.00 -1.26 -5.01 116.55 118.96 1zrp n ASP 35 Ca -0.00 -3.25 -0.43 0.00 0.71 0.00 0.00 54.79 51.82 1zrp n ASP 35 Cb 0.08 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 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 -2.97 1.37 0.49 1.24 -0.00 -0.91 -4.89 118.94 113.27 1zrp s TRP 36 Ca 0.44 0.24 0.03 0.00 -0.00 0.00 0.00 56.10 56.82 1zrp s TRP 36 Cb 0.37 -4.04 -0.02 0.00 -0.00 0.00 0.00 33.47 29.78 1zrp s TRP 36 CO 0.07 -4.31 0.06 0.14 -0.00 0.00 0.00 176.95 172.91 1zrp s VAL 37 N 6.63 1.46 -0.01 5.86 -7.23 -1.26 -1.81 120.40 124.05 1zrp s VAL 37 Ca 0.92 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 1zrp s VAL 37 Cb -0.34 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.15 1zrp s VAL 37 CO 0.36 0.00 1.91 0.00 -0.31 0.00 0.00 175.10 177.06 1zrp h PRO 39 N 10.67 0.00 0.00 0.00 0.11 -1.98 -1.92 132.00 138.89 1zrp h PRO 39 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1zrp h PRO 39 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1zrp h PRO 39 CO 0.95 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.85 1zrp n ILE 40 N -3.70 0.00 0.16 4.15 -0.00 -1.26 -4.83 119.36 113.87 1zrp n ILE 40 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 62.75 62.86 1zrp n ILE 40 Cb 0.55 -0.50 0.06 0.00 -0.00 0.00 0.00 39.64 39.76 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 1.19 1.00 3.56 0.00 0.00 -0.73 -5.03 105.19 105.19 1zrp n GLY 42 Ca 0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 3.44 1.05 4.61 0.00 -1.26 -4.68 121.76 122.93 1zrp s ALA 43 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 1zrp s ALA 43 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1zrp s ALA 43 CO 0.00 -1.38 -0.35 -2.30 0.00 0.00 0.00 175.76 171.73 1zrp n PRO 44 N 6.02 -0.86 0.06 0.00 -0.02 -1.26 -0.06 135.00 138.88 1zrp n PRO 44 Ca -0.02 -0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.27 1zrp n PRO 44 Cb 0.49 -1.51 0.24 0.00 -0.02 0.00 0.00 33.50 32.70 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1zrp n LYS 45 N -0.56 0.06 0.01 -0.52 0.00 -0.75 -1.72 118.16 114.68 1zrp n LYS 45 Ca 0.01 0.53 0.02 0.00 -0.00 0.00 0.00 58.31 58.88 1zrp n LYS 45 Cb 0.63 -1.67 0.38 0.00 -0.00 0.00 0.00 35.03 34.36 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 0.45 -0.52 -5.58 4.64 -1.87 -2.21 113.55 108.47 1zrp h SER 46 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1zrp h SER 46 Cb 0.03 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1zrp h SER 46 CO 0.00 0.42 0.00 -0.62 -0.87 0.00 0.00 176.83 175.76 1zrp n GLU 47 N -4.39 4.22 -3.15 4.77 -0.58 -0.70 -4.76 120.64 116.06 1zrp n GLU 47 Ca 0.02 -3.02 -0.44 0.00 -0.42 0.00 0.00 57.16 53.30 1zrp n GLU 47 Cb 0.14 -2.09 -0.06 0.00 -0.57 0.00 0.00 31.44 28.87 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 -2.57 3.04 0.00 -0.32 0.40 -0.83 -2.22 117.98 115.49 1zrp s PHE 48 Ca 0.51 -0.59 -0.30 0.00 -0.60 0.00 0.00 56.93 55.95 1zrp s PHE 48 Cb 0.38 -3.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 1zrp s PHE 48 CO 0.16 -1.06 0.99 -2.00 0.70 0.00 0.00 175.22 174.01 1zrp s GLU 49 N 2.63 4.56 0.41 0.44 -6.30 0.20 -4.73 118.70 115.91 1zrp s GLU 49 Ca 0.15 1.43 -0.23 0.00 -2.50 0.00 0.00 54.97 53.82 1zrp s GLU 49 Cb -0.20 -3.46 -0.09 0.00 0.00 0.00 0.00 34.13 30.38 1zrp s GLU 49 CO 0.11 -0.06 1.01 -1.59 0.02 0.00 0.00 175.26 174.75 1zrp s LYS 50 N 1.01 4.17 -0.60 4.30 -2.85 -1.26 0.59 119.74 125.10 1zrp s LYS 50 Ca 0.52 1.37 -0.02 0.00 -1.00 0.00 0.00 55.97 56.84 1zrp s LYS 50 Cb -0.21 -2.42 0.39 0.00 -2.06 0.00 0.00 37.83 33.53 1zrp s LYS 50 CO 0.28 -0.11 2.04 1.28 0.10 0.00 0.00 175.35 178.95 1zrp n LEU 51 N -0.27 7.43 -0.65 2.77 4.77 -0.90 -4.84 117.00 125.31 1zrp n LEU 51 Ca 0.06 -4.09 -0.08 0.00 -0.03 0.00 0.00 56.01 51.87 1zrp n LEU 51 Cb 0.51 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1zrp n LEU 51 CO 0.42 1.43 -0.08 1.21 -1.33 0.00 0.00 177.39 179.05 1zrp n GLU 52 N -0.61 -1.75 -0.51 3.23 2.13 -1.26 -4.99 120.64 116.88 1zrp n GLU 52 Ca 0.55 0.73 0.00 0.00 0.66 0.00 0.00 57.16 59.10 1zrp n GLU 52 Cb 0.63 -5.04 0.00 0.00 0.27 0.00 0.00 31.44 27.30 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32