#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odg s ASP 2 N 0.00 6.59 0.24 0.41 1.11 -1.26 -4.83 116.67 118.92 2odg s ASP 2 Ca 0.00 2.06 -0.14 0.00 0.18 0.00 0.00 52.55 54.65 2odg s ASP 2 Cb 0.00 -2.58 0.29 0.00 1.07 0.00 0.00 42.92 41.70 2odg s ASP 2 CO 0.00 -0.61 1.57 0.78 1.18 0.00 0.00 175.17 178.09 2odg h ASN 3 N 2.25 -1.08 1.26 0.27 2.35 -2.03 2.03 115.58 120.63 2odg h ASN 3 Ca -0.49 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2odg h ASN 3 Cb 1.22 0.62 0.00 0.00 0.05 0.00 0.00 38.32 40.21 2odg h ASN 3 CO 0.61 -0.29 0.00 1.88 -1.65 0.00 0.00 177.43 177.98 2odg h TYR 4 N -0.03 0.00 0.00 1.19 -1.99 -1.95 -2.84 116.97 111.35 2odg h TYR 4 Ca 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.08 2odg h TYR 4 Cb 0.61 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.34 2odg h TYR 4 CO -0.74 0.00 -0.06 0.00 -0.00 0.00 0.00 178.16 177.36 2odg h ALA 5 N 2.16 0.99 0.00 3.88 0.00 0.29 -2.56 119.26 124.03 2odg h ALA 5 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2odg h ALA 5 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2odg h ALA 5 CO 0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2odg n ASP 6 N -3.15 0.00 -4.76 0.00 8.00 -0.68 -4.44 116.55 111.51 2odg n ASP 6 Ca 0.01 0.20 -0.39 0.00 0.71 0.00 0.00 54.79 55.32 2odg n ASP 6 Cb 0.39 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 2odg n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2odg s LEU 7 N -2.80 4.47 0.52 0.64 1.43 -0.97 -5.03 118.68 116.94 2odg s LEU 7 Ca 0.21 2.07 -0.10 0.00 -1.03 0.00 0.00 54.13 55.28 2odg s LEU 7 Cb 0.19 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2odg s LEU 7 CO 0.49 -0.11 0.90 -0.55 0.23 0.00 0.00 176.35 177.30 2odg s SER 8 N -1.20 6.37 0.25 2.29 0.15 -1.26 -4.78 113.70 115.51 2odg s SER 8 Ca 0.47 1.24 -0.04 0.00 0.70 0.00 0.00 55.95 58.32 2odg s SER 8 Cb -0.26 -2.38 0.47 0.00 -1.71 0.00 0.00 66.02 62.13 2odg s SER 8 CO 0.33 -0.64 1.71 0.44 1.20 0.00 0.00 173.24 176.29 2odg h ASP 9 N 0.38 0.18 -0.62 5.45 3.32 -1.97 0.31 116.42 123.47 2odg h ASP 9 Ca -0.46 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 2odg h ASP 9 Cb 1.19 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 2odg h ASP 9 CO 0.62 0.05 0.34 0.74 -1.72 0.00 0.00 179.24 179.27 2odg h THR 10 N 0.37 1.20 -0.19 0.35 2.02 -2.00 -1.08 112.91 113.59 2odg h THR 10 Ca 0.42 -0.50 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 2odg h THR 10 Cb 0.67 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2odg h THR 10 CO -0.44 0.22 -0.54 -0.33 0.37 0.00 0.00 175.52 174.80 2odg h GLU 11 N 0.85 0.55 -0.48 6.66 5.08 -1.50 -2.68 114.58 123.07 2odg h GLU 11 Ca 0.22 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2odg h GLU 11 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2odg h GLU 11 CO -0.04 0.95 0.12 1.25 -1.00 0.00 0.00 179.01 180.30 2odg h LEU 12 N 0.43 0.71 -0.48 1.33 5.85 -0.09 -2.40 115.31 120.67 2odg h LEU 12 Ca 0.01 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2odg h LEU 12 Cb 1.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2odg h LEU 12 CO 0.10 0.75 0.27 0.74 -0.34 0.00 0.00 178.44 179.97 2odg h THR 13 N 0.64 1.16 -0.06 1.05 2.02 -1.13 -1.90 112.91 114.69 2odg h THR 13 Ca 0.15 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2odg h THR 13 Cb 0.31 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2odg h THR 13 CO 0.00 0.16 -0.16 0.00 0.37 0.00 0.00 175.52 175.89 2odg h THR 14 N 0.63 1.15 -0.22 3.16 1.03 -1.36 -2.41 112.91 114.89 2odg h THR 14 Ca 0.17 -0.69 -0.07 0.00 -0.01 0.00 0.00 66.41 65.82 2odg h THR 14 Cb 0.02 1.28 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 2odg h THR 14 CO -0.03 0.20 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.50 2odg h LEU 15 N 0.09 0.48 -1.15 0.00 3.38 -0.84 -2.16 115.31 115.11 2odg h LEU 15 Ca 0.02 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2odg h LEU 15 Cb 0.34 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2odg h LEU 15 CO 0.02 0.80 0.45 -0.07 0.09 0.00 0.00 178.44 179.73 2odg h LEU 16 N 0.17 0.91 -0.24 1.67 3.38 -1.19 -2.18 115.31 117.83 2odg h LEU 16 Ca 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2odg h LEU 16 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2odg h LEU 16 CO 0.03 0.71 0.13 -0.09 0.09 0.00 0.00 178.44 179.32 2odg h ARG 17 N 1.05 0.33 -1.00 1.13 2.43 -1.27 0.06 114.38 117.11 2odg h ARG 17 Ca 0.27 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.56 2odg h ARG 17 Cb -0.03 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.36 2odg h ARG 17 CO -0.05 0.29 0.62 -0.09 -1.51 0.00 0.00 179.97 179.24 2odg h ARG 18 N 0.28 0.85 -0.11 0.20 2.43 -0.75 0.52 114.38 117.79 2odg h ARG 18 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2odg h ARG 18 Cb 0.06 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2odg h ARG 18 CO -0.01 0.56 0.00 0.66 -1.51 0.00 0.00 179.97 179.67 2odg n TYR 19 N -4.69 0.14 -3.54 2.20 4.01 -0.91 -4.92 117.16 109.46 2odg n TYR 19 Ca 0.21 -0.07 -0.20 0.00 -0.16 0.00 0.00 57.90 57.68 2odg n TYR 19 Cb 0.47 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.57 2odg n TYR 19 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2odg n ASN 20 N 0.21 -3.39 -4.46 7.72 5.03 0.18 -4.96 115.26 115.59 2odg n ASN 20 Ca 0.17 -0.63 -0.39 0.00 0.87 0.00 0.00 54.58 54.60 2odg n ASN 20 Cb 0.32 -4.89 -0.11 0.00 -1.02 0.00 0.00 39.78 34.08 2odg n ASN 20 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2odg s ILE 21 N -3.38 4.74 0.31 2.41 1.01 -0.14 -5.01 121.20 121.14 2odg s ILE 21 Ca 0.22 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 2odg s ILE 21 Cb -0.10 -3.43 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 2odg s ILE 21 CO 0.75 0.04 1.28 -2.65 0.00 0.00 0.00 174.94 174.35 2odg n PRO 22 N 5.01 1.99 -3.61 2.79 -0.02 -1.26 -4.65 135.00 135.25 2odg n PRO 22 Ca -0.14 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 2odg n PRO 22 Cb 0.49 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2odg n PRO 22 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2odg s HIS 23 N -0.85 -0.29 0.00 6.00 -3.43 -1.26 -5.14 115.29 110.32 2odg s HIS 23 Ca 0.59 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 2odg s HIS 23 Cb -0.61 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2odg s HIS 23 CO 0.59 -0.87 0.00 0.41 -2.00 0.00 0.00 174.74 172.87 2odg n GLY 24 N -0.34 3.75 3.76 -1.38 0.00 -1.26 -5.07 105.19 104.65 2odg n GLY 24 Ca -0.13 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2odg n GLY 24 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2odg s PRO 25 N 3.33 4.30 -0.28 1.61 0.02 -1.26 -5.00 135.00 137.72 2odg s PRO 25 Ca 0.00 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.14 2odg s PRO 25 Cb 0.00 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.40 2odg s PRO 25 CO 0.00 -0.32 0.35 0.54 -0.33 0.00 0.00 177.00 177.24 2odg s VAL 26 N -0.57 5.19 -0.00 3.83 0.11 -1.26 -4.90 120.40 122.80 2odg s VAL 26 Ca 0.54 0.45 -0.05 0.00 -2.93 0.00 0.00 61.98 59.99 2odg s VAL 26 Cb -0.41 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 30.74 2odg s VAL 26 CO 0.49 0.13 0.09 -0.69 -3.33 0.00 0.00 175.10 171.79 2odg s VAL 27 N 2.03 0.08 0.45 2.04 1.01 -1.26 -4.92 120.40 119.82 2odg s VAL 27 Ca 0.14 -0.62 0.30 0.00 0.00 0.00 0.00 61.98 61.80 2odg s VAL 27 Cb -0.16 -0.34 0.49 0.00 0.00 0.00 0.00 36.38 36.37 2odg s VAL 27 CO 0.10 -0.34 1.65 1.23 0.00 0.00 0.00 175.10 177.74 2odg h GLY 28 N 4.66 1.14 1.46 4.51 0.00 -1.96 3.51 103.07 116.39 2odg h GLY 28 Ca -0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2odg h GLY 28 CO 0.41 -0.32 0.12 1.48 0.00 0.00 0.00 176.54 178.23 2odg h SER 29 N 0.11 0.63 0.00 0.19 4.64 -1.99 -3.18 113.55 113.95 2odg h SER 29 Ca 0.79 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 2odg h SER 29 Cb 2.50 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 64.43 2odg h SER 29 CO -0.35 0.62 0.00 0.41 -0.87 0.00 0.00 176.83 176.64 2odg n THR 30 N -4.31 0.23 -0.25 2.95 -1.04 0.32 -4.68 114.28 107.51 2odg n THR 30 Ca 0.03 -0.60 -0.05 0.00 -2.04 0.00 0.00 64.05 61.39 2odg n THR 30 Cb 0.20 0.91 0.05 0.00 -1.82 0.00 0.00 70.33 69.67 2odg n THR 30 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2odg h ARG 31 N 0.00 0.91 -0.52 -2.82 2.43 0.61 -2.49 114.38 112.50 2odg h ARG 31 Ca 0.00 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2odg h ARG 31 Cb 0.14 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2odg h ARG 31 CO 0.00 0.60 0.30 -0.09 -1.51 0.00 0.00 179.97 179.27 2odg h ARG 32 N 0.94 0.58 -0.89 0.20 2.43 -1.80 -0.22 114.38 115.62 2odg h ARG 32 Ca 0.25 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2odg h ARG 32 Cb -0.11 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.26 2odg h ARG 32 CO -0.06 0.39 0.58 1.25 -1.51 0.00 0.00 179.97 180.62 2odg h LEU 33 N 0.60 0.90 -0.59 3.80 5.85 -1.78 -0.85 115.31 123.24 2odg h LEU 33 Ca 0.21 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 2odg h LEU 33 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2odg h LEU 33 CO -0.11 0.59 -0.27 1.88 -0.34 0.00 0.00 178.44 180.20 2odg h TYR 34 N 1.03 0.96 -0.66 1.25 0.05 -0.83 -2.34 116.97 116.42 2odg h TYR 34 Ca 0.37 -0.24 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 2odg h TYR 34 Cb 0.16 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2odg h TYR 34 CO -0.00 1.00 0.25 0.93 -1.05 0.00 0.00 178.16 179.29 2odg h GLU 35 N 0.71 0.98 -0.44 4.88 5.08 0.26 -2.31 114.58 123.73 2odg h GLU 35 Ca 0.09 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2odg h GLU 35 Cb 0.81 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2odg h GLU 35 CO 0.07 0.81 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.43 2odg h LYS 36 N 0.96 0.91 -0.59 2.33 3.64 -1.11 -2.41 116.57 120.30 2odg h LYS 36 Ca 0.22 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2odg h LYS 36 Cb 0.21 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2odg h LYS 36 CO -0.02 1.05 0.32 0.87 -2.27 0.00 0.00 179.45 179.40 2odg h LYS 37 N 0.79 0.82 -0.37 1.90 1.57 -0.91 -1.28 116.57 119.08 2odg h LYS 37 Ca 0.10 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2odg h LYS 37 Cb 0.79 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2odg h LYS 37 CO 0.07 0.62 -0.17 0.82 -0.57 0.00 0.00 179.45 180.22 2odg h ILE 38 N 0.79 1.26 -0.43 1.86 2.04 -1.38 -2.62 117.51 119.03 2odg h ILE 38 Ca 0.21 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 2odg h ILE 38 Cb 0.04 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2odg h ILE 38 CO -0.03 0.41 0.23 0.15 0.00 0.00 0.00 178.15 178.90 2odg h PHE 39 N 0.62 0.60 -0.69 1.37 3.04 -0.89 0.32 116.94 121.31 2odg h PHE 39 Ca 0.10 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 2odg h PHE 39 Cb 0.64 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 2odg h PHE 39 CO 0.03 0.47 0.37 1.49 -2.02 0.00 0.00 178.31 178.64 2odg h GLU 40 N 0.56 0.97 0.25 1.11 4.81 -1.05 0.15 114.58 121.37 2odg h GLU 40 Ca 0.15 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2odg h GLU 40 Cb 0.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2odg h GLU 40 CO -0.02 0.74 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.96 2odg h TYR 41 N 0.95 -0.31 -0.64 0.92 3.20 -1.21 -2.71 116.97 117.18 2odg h TYR 41 Ca 0.24 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.22 2odg h TYR 41 Cb 0.06 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2odg h TYR 41 CO -0.00 0.06 0.43 0.93 -1.64 0.00 0.00 178.16 177.94 2odg h GLU 42 N -0.76 0.37 -0.53 1.82 4.39 -0.87 0.99 114.58 119.99 2odg h GLU 42 Ca -0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2odg h GLU 42 Cb 0.50 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2odg h GLU 42 CO 0.06 0.25 0.29 1.15 -1.16 0.00 0.00 179.01 179.60 2odg h THR 43 N 0.38 1.18 -0.19 1.13 2.02 -0.56 -1.55 112.91 115.32 2odg h THR 43 Ca 0.30 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2odg h THR 43 Cb 0.66 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2odg h THR 43 CO -0.08 0.19 -0.03 1.56 0.37 0.00 0.00 175.52 177.53 2odg h GLN 44 N 0.72 0.02 -0.14 6.66 4.20 -0.48 0.10 115.11 126.17 2odg h GLN 44 Ca 0.19 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.92 2odg h GLN 44 Cb 0.04 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2odg h GLN 44 CO -0.03 0.01 0.10 0.00 -0.67 0.00 0.00 178.83 178.24 2odg h ARG 45 N 0.02 0.07 0.00 1.46 2.47 -1.14 0.28 114.38 117.54 2odg h ARG 45 Ca 0.09 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2odg h ARG 45 Cb 0.13 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2odg h ARG 45 CO -0.18 0.05 0.00 0.00 0.56 0.00 0.00 179.97 180.40 2odg h ARG 46 N 0.08 0.00 -0.03 0.04 3.08 -0.00 -3.52 114.38 114.03 2odg h ARG 46 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2odg h ARG 46 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2odg h ARG 46 CO -0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.43