#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrx n GLY 2 N 0.00 0.65 0.18 2.89 0.00 -1.26 -4.97 105.19 102.68 1zrx n GLY 2 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1zrx n GLY 2 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1zrx h PHE 3 N 0.97 0.00 0.00 1.61 -5.15 -2.07 -3.22 116.94 109.08 1zrx h PHE 3 Ca -0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.44 1zrx h PHE 3 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1zrx h PHE 3 CO -0.06 0.33 0.03 -0.09 -2.00 0.00 0.00 178.31 176.52 1zrx h ARG 4 N 0.00 0.00 -0.37 6.09 2.43 -2.00 -2.95 114.38 117.58 1zrx h ARG 4 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1zrx h ARG 4 Cb 1.16 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1zrx h ARG 4 CO 0.04 0.00 0.02 1.57 -1.51 0.00 0.00 179.97 180.09 1zrx h LYS 5 N 0.00 0.12 0.00 0.20 2.10 -1.99 0.16 116.57 117.16 1zrx h LYS 5 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1zrx h LYS 5 Cb 0.06 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1zrx h LYS 5 CO 0.00 0.08 -0.27 1.12 -2.00 0.00 0.00 179.45 178.38 1zrx h HIS 6 N 0.13 0.00 -0.10 0.07 2.07 -1.80 -2.39 115.15 113.13 1zrx h HIS 6 Ca 0.18 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.65 1zrx h HIS 6 Cb 0.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.22 1zrx h HIS 6 CO -0.24 0.27 -0.14 0.35 -3.07 0.00 0.00 177.93 175.10 1zrx h PHE 7 N 0.00 0.33 -0.50 6.12 3.57 -1.31 -2.68 116.94 122.47 1zrx h PHE 7 Ca -0.00 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1zrx h PHE 7 Cb 0.82 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1zrx h PHE 7 CO 0.00 0.73 0.25 -0.97 -2.23 0.00 0.00 178.31 176.09 1zrx h ASN 8 N -0.16 0.61 -0.88 0.41 -1.24 -0.65 0.25 115.58 113.93 1zrx h ASN 8 Ca 0.01 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.99 1zrx h ASN 8 Cb 0.69 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.54 1zrx h ASN 8 CO 0.03 0.51 0.58 0.50 -1.29 0.00 0.00 177.43 177.76 1zrx h LYS 9 N 0.69 1.14 0.12 6.67 3.64 -1.32 0.73 116.57 128.25 1zrx h LYS 9 Ca 0.18 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1zrx h LYS 9 Cb 0.05 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1zrx h LYS 9 CO -0.03 0.76 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.78 1zrx h LEU 10 N 1.18 -0.13 -1.36 5.20 3.38 -0.82 -3.09 115.31 119.66 1zrx h LEU 10 Ca 0.32 -0.32 0.28 0.00 0.09 0.00 0.00 57.88 58.26 1zrx h LEU 10 Cb -0.12 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1zrx h LEU 10 CO -0.07 0.26 0.68 0.58 0.09 0.00 0.00 178.44 179.98 1zrx h VAL 11 N -0.55 0.49 -0.77 1.22 2.07 -0.18 0.78 116.25 119.31 1zrx h VAL 11 Ca -0.02 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1zrx h VAL 11 Cb 0.44 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1zrx h VAL 11 CO 0.03 0.07 0.50 0.11 0.02 0.00 0.00 177.57 178.30 1zrx h LYS 12 N 0.37 0.69 0.02 1.57 1.79 -0.80 0.91 116.57 121.12 1zrx h LYS 12 Ca 0.61 -0.04 -0.37 0.00 -2.18 0.00 0.00 60.65 58.67 1zrx h LYS 12 Cb 1.59 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 32.02 1zrx h LYS 12 CO -0.31 0.46 -2.29 1.17 -1.08 0.00 0.00 179.45 177.39 1zrx n LYS 13 N -4.50 0.68 -0.17 3.15 3.00 0.63 -4.40 118.16 116.55 1zrx n LYS 13 Ca 0.13 0.14 0.01 0.00 -0.00 0.00 0.00 58.31 58.58 1zrx n LYS 13 Cb 0.31 -1.58 0.26 0.00 0.00 0.00 0.00 35.03 34.03 1zrx n LYS 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1zrx h VAL 14 N 0.01 1.19 -0.81 3.15 2.07 0.66 0.04 116.25 122.55 1zrx h VAL 14 Ca -0.52 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1zrx h VAL 14 Cb 2.03 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1zrx h VAL 14 CO -0.01 0.19 0.54 0.07 0.02 0.00 0.00 177.57 178.38 1zrx h LYS 15 N 0.91 1.02 -0.15 1.57 2.10 -1.03 0.19 116.57 121.17 1zrx h LYS 15 Ca 0.24 -0.06 -0.20 0.00 -2.00 0.00 0.00 60.65 58.63 1zrx h LYS 15 Cb -0.04 -0.23 0.01 0.00 -0.90 0.00 0.00 32.23 31.07 1zrx h LYS 15 CO -0.05 0.67 -0.67 1.25 -2.00 0.00 0.00 179.45 178.66 1zrx h HIS 16 N 1.05 0.97 -0.51 0.07 2.76 -1.45 -2.82 115.15 115.21 1zrx h HIS 16 Ca 0.31 -0.42 0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1zrx h HIS 16 Cb -0.04 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 1zrx h HIS 16 CO -0.00 1.23 0.33 1.15 -1.30 0.00 0.00 177.93 179.35 1zrx h THR 17 N 0.42 1.11 -0.77 6.26 2.02 -0.05 0.21 112.91 122.10 1zrx h THR 17 Ca -0.04 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1zrx h THR 17 Cb 1.30 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1zrx h THR 17 CO 0.14 0.12 0.51 0.40 0.37 0.00 0.00 175.52 177.06 1zrx h ILE 18 N 0.67 1.18 -0.43 3.11 2.04 -0.69 -1.90 117.51 121.49 1zrx h ILE 18 Ca 0.19 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1zrx h ILE 18 Cb -0.05 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1zrx h ILE 18 CO -0.06 0.19 -0.06 0.28 0.00 0.00 0.00 178.15 178.50 1zrx h SER 19 N 1.02 0.79 -0.38 1.72 0.02 -1.14 -3.17 113.55 112.41 1zrx h SER 19 Ca 0.29 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1zrx h SER 19 Cb -0.08 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.18 1zrx h SER 19 CO -0.08 0.94 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.22 1zrx h GLU 20 N 0.62 0.09 -0.97 3.45 4.39 0.03 0.58 114.58 122.78 1zrx h GLU 20 Ca 0.11 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.95 1zrx h GLU 20 Cb 0.57 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.11 1zrx h GLU 20 CO 0.03 0.06 0.59 1.15 -1.16 0.00 0.00 179.01 179.68 1zrx h THR 21 N 0.10 0.82 0.00 1.13 2.02 -1.34 -2.64 112.91 113.00 1zrx h THR 21 Ca 0.19 -0.29 -0.33 0.00 0.77 0.00 0.00 66.41 66.75 1zrx h THR 21 Cb 0.26 -0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.51 1zrx h THR 21 CO -0.32 0.16 -2.01 0.00 0.37 0.00 0.00 175.52 173.72 1zrx n ALA 22 N -2.35 1.49 1.76 6.16 0.00 -0.90 -4.22 120.51 122.45 1zrx n ALA 22 Ca 0.20 -1.01 0.06 0.00 0.00 0.00 0.00 53.44 52.69 1zrx n ALA 22 Cb 0.43 -0.55 0.37 0.00 0.00 0.00 0.00 19.45 19.70 1zrx n ALA 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1zrx n HIS 23 N -2.93 0.00 0.26 0.00 1.44 0.20 -3.61 115.22 110.58 1zrx n HIS 23 Ca -0.24 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.57 1zrx n HIS 23 Cb 1.10 0.00 0.68 0.00 0.12 0.00 0.00 29.99 31.89 1zrx n HIS 23 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1zrx h VAL 24 N 0.00 0.83 -0.22 0.61 -1.51 -1.65 0.18 116.25 114.49 1zrx h VAL 24 Ca 0.00 -0.33 -0.04 0.00 -1.23 0.00 0.00 66.70 65.10 1zrx h VAL 24 Cb 0.00 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1zrx h VAL 24 CO 0.00 0.09 -0.02 0.00 -1.23 0.00 0.00 177.57 176.40 1zrx h ALA 25 N 1.91 0.30 0.02 5.19 0.00 -1.90 0.46 119.26 125.23 1zrx h ALA 25 Ca -0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1zrx h ALA 25 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1zrx h ALA 25 CO 0.01 0.05 -1.00 1.57 0.00 0.00 0.00 179.25 179.88 1zrx h LYS 26 N 0.15 0.47 -0.73 0.00 2.10 -1.71 -3.25 116.57 113.59 1zrx h LYS 26 Ca 0.06 -0.52 -0.20 0.00 -2.00 0.00 0.00 60.65 57.99 1zrx h LYS 26 Cb 0.45 0.15 -0.12 0.00 -0.90 0.00 0.00 32.23 31.82 1zrx h LYS 26 CO 0.02 1.17 0.25 -0.25 -2.00 0.00 0.00 179.45 178.64 1zrx n ASP 27 N -3.75 4.97 -0.17 7.07 10.43 0.58 -4.28 116.55 131.39 1zrx n ASP 27 Ca -0.08 -3.20 0.01 0.00 2.57 0.00 0.00 54.79 54.08 1zrx n ASP 27 Cb 0.86 -0.74 0.26 0.00 1.84 0.00 0.00 41.12 43.34 1zrx n ASP 27 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zrx h THR 28 N 2.83 1.19 0.00 -3.53 1.03 -0.12 -3.37 112.91 110.94 1zrx h THR 28 Ca 0.24 -0.39 -0.13 0.00 -0.01 0.00 0.00 66.41 66.12 1zrx h THR 28 Cb 2.32 0.22 -0.12 0.00 -1.07 0.00 0.00 68.15 69.50 1zrx h THR 28 CO 0.73 0.19 -0.22 0.00 -0.01 0.00 0.00 175.52 176.21 1zrx n ALA 29 N -2.43 2.09 -0.14 0.00 0.00 -1.26 -4.98 120.51 113.79 1zrx n ALA 29 Ca 0.07 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1zrx n ALA 29 Cb 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1zrx n ALA 29 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1zrx h VAL 30 N 3.35 1.28 -0.56 0.00 3.04 -1.74 0.15 116.25 121.77 1zrx h VAL 30 Ca -0.38 -1.34 -0.06 0.00 -1.01 0.00 0.00 66.70 63.91 1zrx h VAL 30 Cb 1.24 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 1zrx h VAL 30 CO -0.16 0.45 0.12 0.40 -1.01 0.00 0.00 177.57 177.37 1zrx h ILE 31 N 0.70 1.25 -0.42 3.17 5.03 -1.90 -1.27 117.51 124.07 1zrx h ILE 31 Ca 0.09 -0.91 -0.04 0.00 -0.12 0.00 0.00 64.86 63.88 1zrx h ILE 31 Cb 0.76 0.77 -0.02 0.00 -3.03 0.00 0.00 36.82 35.30 1zrx h ILE 31 CO 0.06 0.34 0.11 0.00 -0.68 0.00 0.00 178.15 177.98 1zrx h ALA 32 N 1.01 0.56 -0.85 1.87 0.00 -1.90 -2.96 119.26 116.99 1zrx h ALA 32 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1zrx h ALA 32 Cb 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1zrx h ALA 32 CO 0.01 0.23 0.43 0.78 0.00 0.00 0.00 179.25 180.70 1zrx h GLY 33 N 0.55 1.28 -5.81 0.00 0.00 -0.49 0.18 103.07 98.79 1zrx h GLY 33 Ca 0.13 -0.61 -0.76 0.00 0.00 0.00 0.00 47.33 46.09 1zrx h GLY 33 CO -0.00 0.58 0.73 1.44 0.00 0.00 0.00 176.54 179.29 1zrx n SER 34 N -4.34 6.87 0.00 0.19 7.64 -0.50 -4.34 113.62 119.14 1zrx n SER 34 Ca 0.08 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1zrx n SER 34 Cb 0.12 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1zrx n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zrx n GLY 35 N -0.19 -0.09 0.23 0.23 0.00 -1.16 -4.89 105.19 99.32 1zrx n GLY 35 Ca 0.46 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.72 1zrx n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrx h ALA 36 N 0.00 1.25 -0.99 4.61 0.00 -1.01 -2.85 119.26 120.27 1zrx h ALA 36 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1zrx h ALA 36 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1zrx h ALA 36 CO 0.00 0.49 0.64 0.00 0.00 0.00 0.00 179.25 180.39 1zrx h ALA 37 N 1.45 1.38 -0.35 0.00 0.00 -0.94 0.17 119.26 120.97 1zrx h ALA 37 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1zrx h ALA 37 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1zrx h ALA 37 CO 0.04 0.50 0.00 0.28 0.00 0.00 0.00 179.25 180.07 1zrx h VAL 38 N 1.21 1.26 -0.53 0.00 2.07 -1.79 -0.70 116.25 117.77 1zrx h VAL 38 Ca 0.41 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1zrx h VAL 38 Cb 0.08 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1zrx h VAL 38 CO -0.14 0.32 0.08 0.58 0.02 0.00 0.00 177.57 178.43 1zrx h VAL 39 N 0.43 1.23 -0.37 2.57 2.07 -1.28 -1.40 116.25 119.50 1zrx h VAL 39 Ca 0.10 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.57 1zrx h VAL 39 Cb 0.45 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1zrx h VAL 39 CO 0.02 0.33 -0.40 0.00 0.02 0.00 0.00 177.57 177.54 1zrx h ALA 40 N 1.30 0.60 -0.45 1.67 0.00 -0.52 -3.19 119.26 118.67 1zrx h ALA 40 Ca 0.17 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1zrx h ALA 40 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1zrx h ALA 40 CO 0.01 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.88 1zrx h ALA 41 N 0.80 0.61 0.00 0.00 0.00 -0.85 -3.51 119.26 116.32 1zrx h ALA 41 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1zrx h ALA 41 Cb 0.98 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1zrx h ALA 41 CO 0.10 0.45 0.00 0.25 0.00 0.00 0.00 179.25 180.05