#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ron n PRO 2 N 0.00 0.65 -3.62 -0.72 -0.04 -1.26 -4.56 135.00 125.45 1ron n PRO 2 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1ron n PRO 2 Cb 0.00 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1ron n PRO 2 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ron s SER 3 N -0.71 -0.66 0.08 3.54 0.01 -1.26 -5.19 113.70 109.51 1ron s SER 3 Ca 0.00 1.13 0.03 0.00 1.31 0.00 0.00 55.95 58.43 1ron s SER 3 Cb 0.00 1.11 -0.03 0.00 0.21 0.00 0.00 66.02 67.31 1ron s SER 3 CO 0.00 -0.34 -0.10 -1.59 0.41 0.00 0.00 173.24 171.62 1ron s LYS 4 N -0.11 0.78 0.84 12.44 0.00 -1.26 -5.16 119.74 127.29 1ron s LYS 4 Ca -0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 55.97 54.75 1ron s LYS 4 Cb -0.03 -0.51 0.10 0.00 0.00 0.00 0.00 37.83 37.38 1ron s LYS 4 CO 0.03 0.08 1.11 -1.25 0.00 0.00 0.00 175.35 175.33 1ron s PRO 5 N -2.48 1.69 0.26 1.78 0.04 -1.26 -4.92 135.00 130.11 1ron s PRO 5 Ca 0.02 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1ron s PRO 5 Cb -0.05 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ron s PRO 5 CO 0.00 -1.87 0.00 -3.47 0.04 0.00 0.00 177.00 171.70 1ron n ASP 6 N -3.58 -4.16 0.00 6.66 -0.08 -1.26 -5.05 116.55 109.09 1ron n ASP 6 Ca 0.07 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 1ron n ASP 6 Cb 0.57 -2.34 0.00 0.00 2.34 0.00 0.00 41.12 41.70 1ron n ASP 6 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1ron n ASN 7 N -3.33 0.00 -3.59 1.67 0.23 -1.26 -4.86 115.26 104.12 1ron n ASN 7 Ca -0.03 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.59 1ron n ASN 7 Cb 0.33 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.96 1ron n ASN 7 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1ron n PRO 8 N 0.00 1.18 0.00 -0.53 -0.04 -1.26 -0.91 135.00 133.44 1ron n PRO 8 Ca 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1ron n PRO 8 Cb 0.00 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 4.62 1.28 1.26 0.55 0.00 -1.26 -4.97 105.19 106.66 1ron n GLY 9 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -1.13 -0.15 1.61 2.13 -0.09 -4.95 120.64 118.05 1ron n GLU 10 Ca 0.00 1.21 0.12 0.00 0.66 0.00 0.00 57.16 59.15 1ron n GLU 10 Cb 0.00 -1.38 0.25 0.00 0.27 0.00 0.00 31.44 30.58 1ron n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ron n ASP 11 N 0.40 3.00 -2.14 4.31 9.92 -1.26 -4.48 116.55 126.29 1ron n ASP 11 Ca 0.00 -1.93 -0.24 0.00 -0.53 0.00 0.00 54.79 52.09 1ron n ASP 11 Cb 0.00 -0.20 0.16 0.00 -0.64 0.00 0.00 41.12 40.44 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 1.20 5.62 1.53 2.24 0.00 -1.26 -4.68 120.51 125.16 1ron n ALA 12 Ca 0.18 -3.05 0.13 0.00 0.00 0.00 0.00 53.44 50.70 1ron n ALA 12 Cb 0.54 -1.43 0.76 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.10 0.66 0.25 0.00 -0.04 -1.26 -1.25 135.00 132.26 1ron n PRO 13 Ca 0.58 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 1ron n PRO 13 Cb 1.41 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 34.01 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 3.53 1.44 0.10 0.55 0.00 -1.97 0.56 119.26 123.47 1ron h ALA 14 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.41 1ron h ALA 14 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ron h ALA 14 CO 0.00 0.18 -2.01 -1.91 0.00 0.00 0.00 179.25 175.51 1ron n GLU 15 N -3.90 0.73 -0.11 0.00 2.13 -0.38 -2.51 120.64 116.61 1ron n GLU 15 Ca -0.02 0.27 -0.14 0.00 0.66 0.00 0.00 57.16 57.93 1ron n GLU 15 Cb 0.24 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.23 1ron n GLU 15 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1ron h ASP 16 N -0.02 0.97 0.39 4.31 3.58 -1.48 0.35 116.42 124.52 1ron h ASP 16 Ca -0.44 -0.48 -0.03 0.00 0.42 0.00 0.00 57.03 56.50 1ron h ASP 16 Cb 1.97 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.74 1ron h ASP 16 CO 0.04 1.26 -0.13 0.00 -2.88 0.00 0.00 179.24 177.54 1ron h MET 17 N 0.70 0.00 0.25 0.28 -0.00 -0.04 0.62 114.93 116.74 1ron h MET 17 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.74 1ron h MET 17 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 1ron h MET 17 CO 0.10 0.13 -0.12 0.00 -0.00 0.00 0.00 176.91 177.01 1ron h ALA 18 N 1.87 -0.34 0.00 -3.00 0.00 -1.03 0.14 119.26 116.91 1ron h ALA 18 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ron h ALA 18 Cb 0.36 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ron h ALA 18 CO 0.02 -0.52 0.02 0.54 0.00 0.00 0.00 179.25 179.31 1ron n ARG 19 N -5.09 0.00 -0.02 0.00 1.74 0.12 -0.72 116.66 112.69 1ron n ARG 19 Ca -0.09 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1ron n ARG 19 Cb 0.25 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 1ron n ARG 19 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ron n TYR 20 N -1.14 1.05 0.48 -1.55 4.02 0.19 0.17 117.16 120.38 1ron n TYR 20 Ca 0.00 0.34 0.06 0.00 -0.01 0.00 0.00 57.90 58.29 1ron n TYR 20 Cb 0.02 -1.18 0.28 0.00 -0.02 0.00 0.00 39.34 38.44 1ron n TYR 20 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1ron n TYR 21 N -3.13 0.00 -0.07 -0.72 4.01 0.11 0.71 117.16 118.06 1ron n TYR 21 Ca -0.20 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.44 1ron n TYR 21 Cb 1.05 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.44 2.80 0.03 7.72 2.88 -1.20 -4.08 113.62 120.34 1ron n SER 22 Ca 0.04 -0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.39 1ron n SER 22 Cb 0.13 -0.24 -0.09 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.03 -0.10 -0.19 -1.46 0.00 0.29 1.04 119.26 118.81 1ron h ALA 23 Ca -0.32 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 1ron h ALA 23 Cb 1.48 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1ron h ALA 23 CO -0.06 -0.34 -0.57 -0.07 0.00 0.00 0.00 179.25 178.21 1ron h LEU 24 N -0.54 0.69 -0.08 0.00 -0.00 0.05 0.66 115.31 116.09 1ron h LEU 24 Ca -0.01 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 1ron h LEU 24 Cb 0.46 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1ron h LEU 24 CO 0.02 1.11 0.02 -0.09 -0.00 0.00 0.00 178.44 179.50 1ron h ARG 25 N 0.47 0.12 -0.76 1.13 1.12 -1.56 0.28 114.38 115.19 1ron h ARG 25 Ca 0.00 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.89 1ron h ARG 25 Cb 1.14 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.04 1ron h ARG 25 CO 0.11 0.32 0.50 1.25 -3.11 0.00 0.00 179.97 179.04 1ron h HIS 26 N -0.10 0.86 0.33 2.20 2.76 0.16 -1.94 115.15 119.43 1ron h HIS 26 Ca 0.02 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1ron h HIS 26 Cb 0.26 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1ron h HIS 26 CO 0.01 0.49 -0.24 1.88 -1.30 0.00 0.00 177.93 178.76 1ron h TYR 27 N 0.88 -0.66 -1.32 5.26 0.05 0.12 -1.36 116.97 119.94 1ron h TYR 27 Ca 0.31 -0.00 0.38 0.00 0.05 0.00 0.00 58.73 59.47 1ron h TYR 27 Cb 0.12 0.24 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 1ron h TYR 27 CO -0.00 -0.35 1.13 0.97 -1.05 0.00 0.00 178.16 178.86 1ron h ILE 28 N -0.55 0.13 0.05 -2.88 6.09 0.28 0.98 117.51 121.62 1ron h ILE 28 Ca -0.04 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.21 1ron h ILE 28 Cb 0.45 0.16 -0.00 0.00 0.47 0.00 0.00 36.82 37.90 1ron h ILE 28 CO 0.02 0.00 -1.05 0.78 -3.07 0.00 0.00 178.15 174.83 1ron h ASN 29 N 0.00 0.38 0.48 2.19 2.35 -0.81 -1.91 115.58 118.26 1ron h ASN 29 Ca 0.63 -0.35 -0.26 0.00 -0.55 0.00 0.00 56.30 55.76 1ron h ASN 29 Cb 2.88 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 41.08 1ron h ASN 29 CO -0.01 1.21 -1.71 -0.11 -1.65 0.00 0.00 177.43 175.16 1ron n LEU 30 N -3.61 0.76 -0.05 1.61 -0.00 0.24 -4.22 117.00 111.73 1ron n LEU 30 Ca -0.06 0.35 -0.13 0.00 -0.00 0.00 0.00 56.01 56.17 1ron n LEU 30 Cb 0.91 0.18 -0.08 0.00 -0.00 0.00 0.00 43.42 44.43 1ron n LEU 30 CO 0.51 0.33 0.59 -0.29 -0.00 0.00 0.00 177.39 178.53 1ron h ILE 31 N 0.00 1.36 -1.14 1.96 2.10 0.53 -2.96 117.51 119.37 1ron h ILE 31 Ca -0.28 -1.33 0.34 0.00 1.08 0.00 0.00 64.86 64.68 1ron h ILE 31 Cb 1.91 1.97 -0.12 0.00 -1.09 0.00 0.00 36.82 39.48 1ron h ILE 31 CO 0.06 0.38 0.72 0.00 -1.08 0.00 0.00 178.15 178.23 1ron h THR 32 N -0.10 0.33 0.65 2.19 1.03 -1.51 0.45 112.91 115.94 1ron h THR 32 Ca 0.02 -0.09 -0.03 0.00 -0.01 0.00 0.00 66.41 66.29 1ron h THR 32 Cb 0.68 0.04 0.01 0.00 -1.07 0.00 0.00 68.15 67.80 1ron h THR 32 CO 0.03 0.05 -0.31 0.03 -0.01 0.00 0.00 175.52 175.31 1ron h ARG 33 N 0.26 -0.84 -0.83 0.00 2.47 -1.73 -2.73 114.38 110.98 1ron h ARG 33 Ca 0.71 0.06 0.10 0.00 -1.26 0.00 0.00 59.98 59.58 1ron h ARG 33 Cb 1.94 0.19 -0.11 0.00 -1.65 0.00 0.00 29.97 30.34 1ron h ARG 33 CO -0.41 -0.56 -0.42 1.04 0.56 0.00 0.00 179.97 180.19 1ron n GLN 34 N -4.37 -0.29 -0.32 0.04 1.13 0.13 0.21 117.38 113.90 1ron n GLN 34 Ca -0.11 1.27 0.17 0.00 -1.94 0.00 0.00 57.00 56.39 1ron n GLN 34 Cb 0.34 -1.87 0.41 0.00 0.11 0.00 0.00 30.24 29.23 1ron n GLN 34 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ron h ARG 35 N 0.00 0.57 -0.03 -1.09 3.08 -0.70 -3.51 114.38 112.70 1ron h ARG 35 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ron h ARG 35 Cb 0.41 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ron h ARG 35 CO -0.80 0.38 0.00 0.66 -1.07 0.00 0.00 179.97 179.14