#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ron s PRO 2 N 0.00 -0.48 0.00 2.98 0.04 -1.26 -5.09 135.00 131.20 1ron s PRO 2 Ca 0.00 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1ron s PRO 2 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1ron s PRO 2 CO 0.00 -3.18 0.00 0.45 0.04 0.00 0.00 177.00 174.31 1ron n SER 3 N -4.34 0.00 -0.00 6.66 2.88 -1.26 -5.01 113.62 112.55 1ron n SER 3 Ca 0.15 -0.50 -0.17 0.00 -1.33 0.00 0.00 58.87 57.01 1ron n SER 3 Cb 0.59 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 1ron n SER 3 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1ron h LYS 4 N 0.00 0.52 -7.07 -1.46 1.57 -2.10 -3.42 116.57 104.61 1ron h LYS 4 Ca 0.00 -0.50 -0.46 0.00 -1.87 0.00 0.00 60.65 57.82 1ron h LYS 4 Cb 0.00 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ron h LYS 4 CO 0.00 1.14 0.31 -1.25 -0.57 0.00 0.00 179.45 179.08 1ron s PRO 5 N -3.40 4.05 0.00 3.15 0.04 -1.26 -5.01 135.00 132.57 1ron s PRO 5 Ca -0.12 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1ron s PRO 5 Cb 0.05 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ron s PRO 5 CO 0.85 -0.11 0.00 -3.47 0.04 0.00 0.00 177.00 174.30 1ron n ASP 6 N -1.07 0.00 -3.15 6.66 2.03 -1.26 -5.02 116.55 114.74 1ron n ASP 6 Ca 0.06 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.42 1ron n ASP 6 Cb 0.54 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 1ron n ASP 6 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ron s ASN 7 N 0.00 -0.66 -0.01 1.67 2.20 -1.26 -4.89 114.94 111.99 1ron s ASN 7 Ca 0.00 0.39 0.02 0.00 -0.94 0.00 0.00 52.86 52.33 1ron s ASN 7 Cb 0.00 1.54 0.06 0.00 -2.00 0.00 0.00 41.25 40.85 1ron s ASN 7 CO 0.00 -0.12 0.88 -0.81 -2.94 0.00 0.00 177.10 174.11 1ron n PRO 8 N 5.45 1.20 0.00 3.55 -0.04 -1.26 -5.01 135.00 138.89 1ron n PRO 8 Ca -0.05 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1ron n PRO 8 Cb 0.53 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1ron n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ron n GLY 9 N 0.39 2.78 3.91 0.55 0.00 -1.26 -4.84 105.19 106.72 1ron n GLY 9 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1ron n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ron n GLU 10 N 14.00 -1.96 0.00 1.61 4.07 -1.26 -4.77 120.64 132.33 1ron n GLU 10 Ca 0.00 0.20 0.01 0.00 -0.06 0.00 0.00 57.16 57.32 1ron n GLU 10 Cb 0.00 -4.81 0.09 0.00 -0.06 0.00 0.00 31.44 26.66 1ron n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1ron n ASP 11 N -2.27 0.00 -1.91 4.31 9.92 -1.26 -4.02 116.55 121.31 1ron n ASP 11 Ca 0.07 -0.77 -0.06 0.00 -0.53 0.00 0.00 54.79 53.50 1ron n ASP 11 Cb 0.48 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.24 1ron n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ron n ALA 12 N -0.61 4.43 1.41 2.24 0.00 -1.26 -4.55 120.51 122.17 1ron n ALA 12 Ca 0.02 -2.11 0.14 0.00 0.00 0.00 0.00 53.44 51.49 1ron n ALA 12 Cb 0.01 -1.24 0.62 0.00 0.00 0.00 0.00 19.45 18.84 1ron n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ron n PRO 13 N -0.10 0.65 0.25 0.00 -0.04 -1.26 -1.93 135.00 132.57 1ron n PRO 13 Ca 0.38 -0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 1ron n PRO 13 Cb 1.31 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.83 1ron n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ron h ALA 14 N 3.59 1.01 0.10 0.55 0.00 -1.93 0.46 119.26 123.04 1ron h ALA 14 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 1ron h ALA 14 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ron h ALA 14 CO 0.00 0.11 -2.00 -1.91 0.00 0.00 0.00 179.25 175.45 1ron n GLU 15 N -3.21 0.73 0.08 0.00 4.07 -0.81 -3.05 120.64 118.44 1ron n GLU 15 Ca 0.01 0.27 -0.09 0.00 -0.06 0.00 0.00 57.16 57.29 1ron n GLU 15 Cb 0.37 -1.69 0.01 0.00 -0.06 0.00 0.00 31.44 30.07 1ron n GLU 15 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1ron h ASP 16 N -0.04 0.35 1.11 4.31 3.58 -1.45 0.32 116.42 124.59 1ron h ASP 16 Ca -0.44 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 56.74 1ron h ASP 16 Cb 1.95 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.90 1ron h ASP 16 CO 0.04 1.03 -0.03 0.00 -2.88 0.00 0.00 179.24 177.40 1ron h MET 17 N 0.17 0.00 0.15 0.28 -0.00 -0.23 1.51 114.93 116.80 1ron h MET 17 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1ron h MET 17 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.03 1ron h MET 17 CO 0.13 0.03 -0.07 0.00 -0.00 0.00 0.00 176.91 177.00 1ron h ALA 18 N 1.97 -0.20 -0.36 -3.00 0.00 -1.41 -2.28 119.26 113.99 1ron h ALA 18 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ron h ALA 18 Cb 0.59 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ron h ALA 18 CO 0.00 -0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.41 1ron h ARG 19 N -0.94 0.00 0.00 0.00 3.08 0.87 0.11 114.38 117.50 1ron h ARG 19 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1ron h ARG 19 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1ron h ARG 19 CO 0.03 0.00 -0.09 1.88 -1.07 0.00 0.00 179.97 180.72 1ron h TYR 20 N 0.00 0.00 0.00 3.04 -1.99 0.27 0.87 116.97 119.16 1ron h TYR 20 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1ron h TYR 20 Cb 0.95 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.68 1ron h TYR 20 CO 0.00 0.09 0.00 0.66 -0.00 0.00 0.00 178.16 178.91 1ron n TYR 21 N -4.12 0.00 -0.05 4.88 4.01 0.38 0.83 117.16 123.09 1ron n TYR 21 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1ron n TYR 21 Cb 0.17 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 1ron n TYR 21 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ron n SER 22 N -1.47 1.48 -0.01 7.72 2.88 0.16 -3.97 113.62 120.41 1ron n SER 22 Ca 0.03 0.24 -0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1ron n SER 22 Cb 0.10 -0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 62.96 1ron n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ron h ALA 23 N -0.61 -0.44 -0.38 -1.46 0.00 0.13 0.89 119.26 117.39 1ron h ALA 23 Ca -0.14 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1ron h ALA 23 Cb 0.85 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1ron h ALA 23 CO -0.08 -0.84 -0.29 -0.07 0.00 0.00 0.00 179.25 177.96 1ron h LEU 24 N -0.42 0.92 -0.15 0.00 -0.00 0.17 0.64 115.31 116.47 1ron h LEU 24 Ca 0.10 -0.44 0.02 0.00 -0.00 0.00 0.00 57.88 57.56 1ron h LEU 24 Cb 0.58 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1ron h LEU 24 CO -0.39 1.17 -0.00 -0.09 -0.00 0.00 0.00 178.44 179.13 1ron h ARG 25 N 0.68 0.05 -0.43 1.13 2.43 -1.44 0.25 114.38 117.04 1ron h ARG 25 Ca 0.07 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ron h ARG 25 Cb 0.87 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1ron h ARG 25 CO 0.08 0.03 0.26 1.25 -1.51 0.00 0.00 179.97 180.07 1ron h HIS 26 N 0.05 0.55 0.49 2.20 2.76 0.11 -1.01 115.15 120.29 1ron h HIS 26 Ca 0.07 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1ron h HIS 26 Cb 0.08 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1ron h HIS 26 CO -0.15 0.37 -0.26 1.88 -1.30 0.00 0.00 177.93 178.47 1ron h TYR 27 N 0.58 -0.68 -1.01 5.26 0.05 0.24 0.10 116.97 121.51 1ron h TYR 27 Ca 0.15 -0.01 0.27 0.00 0.05 0.00 0.00 58.73 59.19 1ron h TYR 27 Cb -0.02 0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.89 1ron h TYR 27 CO 0.00 -0.41 0.69 0.82 -1.05 0.00 0.00 178.16 178.21 1ron h ILE 28 N -0.69 0.53 -0.04 -2.88 5.03 0.71 1.05 117.51 121.21 1ron h ILE 28 Ca -0.06 -0.07 -0.19 0.00 -0.12 0.00 0.00 64.86 64.41 1ron h ILE 28 Cb 0.55 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.63 1ron h ILE 28 CO 0.09 0.04 -0.79 0.78 -0.68 0.00 0.00 178.15 177.59 1ron h ASN 29 N 0.22 0.39 0.53 1.72 2.35 -0.74 -0.43 115.58 119.62 1ron h ASN 29 Ca 0.53 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1ron h ASN 29 Cb 1.66 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 1ron h ASN 29 CO -0.14 1.03 -1.50 -0.11 -1.65 0.00 0.00 177.43 175.06 1ron n LEU 30 N -3.78 0.49 0.09 1.61 -0.00 0.50 -4.19 117.00 111.72 1ron n LEU 30 Ca -0.04 0.19 -0.23 0.00 -0.00 0.00 0.00 56.01 55.93 1ron n LEU 30 Cb 0.74 0.01 -0.15 0.00 -0.00 0.00 0.00 43.42 44.02 1ron n LEU 30 CO 0.48 -0.04 -0.45 -0.29 -0.00 0.00 0.00 177.39 177.08 1ron h ILE 31 N 0.00 1.03 -0.89 1.96 2.10 0.93 -3.19 117.51 119.45 1ron h ILE 31 Ca -0.05 -2.58 0.22 0.00 1.08 0.00 0.00 64.86 63.53 1ron h ILE 31 Cb 1.14 2.83 -0.12 0.00 -1.09 0.00 0.00 36.82 39.58 1ron h ILE 31 CO 0.01 0.85 0.39 0.00 -1.08 0.00 0.00 178.15 178.31 1ron h THR 32 N 0.12 0.48 -0.75 2.19 1.03 -1.24 0.74 112.91 115.47 1ron h THR 32 Ca -0.32 -0.14 -0.05 0.00 -0.01 0.00 0.00 66.41 65.90 1ron h THR 32 Cb 2.12 0.04 -0.03 0.00 -1.07 0.00 0.00 68.15 69.21 1ron h THR 32 CO 0.20 0.07 0.29 0.08 -0.01 0.00 0.00 175.52 176.15 1ron h ARG 33 N 0.40 1.14 0.66 0.00 0.11 -1.75 -1.77 114.38 113.17 1ron h ARG 33 Ca 0.56 -0.22 -0.03 0.00 0.10 0.00 0.00 59.98 60.39 1ron h ARG 33 Cb 1.05 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 1ron h ARG 33 CO -0.53 0.94 -0.41 1.96 0.10 0.00 0.00 179.97 182.03 1ron h GLN 34 N 1.10 -0.98 -0.46 0.08 1.08 0.28 -3.18 115.11 113.02 1ron h GLN 34 Ca 0.25 0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.60 1ron h GLN 34 Cb 0.24 0.22 -0.10 0.00 -0.05 0.00 0.00 27.48 27.79 1ron h GLN 34 CO -0.02 -0.65 -0.38 0.00 -0.95 0.00 0.00 178.83 176.83 1ron h ARG 35 N -1.02 -0.25 -0.01 1.46 3.08 -0.26 -3.51 114.38 113.87 1ron h ARG 35 Ca -0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ron h ARG 35 Cb 0.83 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1ron h ARG 35 CO 0.08 -0.17 0.00 0.66 -1.07 0.00 0.00 179.97 179.47