#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9q n ALA 2 N 0.00 4.89 0.10 0.00 0.00 -1.26 -4.72 120.51 119.52 1b9q n ALA 2 Ca 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 53.44 49.30 1b9q n ALA 2 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 19.45 16.16 1b9q n ALA 2 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1b9q h VAL 3 N 4.24 1.38 -0.53 0.00 -1.51 -2.00 -3.36 116.25 114.48 1b9q h VAL 3 Ca 0.44 -2.89 -0.37 0.00 -1.23 0.00 0.00 66.70 62.65 1b9q h VAL 3 Cb 0.71 2.64 -0.39 0.00 -2.13 0.00 0.00 31.29 32.13 1b9q h VAL 3 CO 1.61 0.77 -0.93 -1.84 -1.23 0.00 0.00 177.57 175.96 1b9q n GLU 4 N -3.33 2.53 -0.10 5.19 0.28 -1.26 -3.43 120.64 120.52 1b9q n GLU 4 Ca 0.01 -3.72 -0.16 0.00 -0.16 0.00 0.00 57.16 53.12 1b9q n GLU 4 Cb 0.84 -1.84 -0.05 0.00 1.43 0.00 0.00 31.44 31.82 1b9q n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1b9q n LEU 5 N -0.63 1.82 -0.07 -1.84 7.94 -1.26 -4.83 117.00 118.14 1b9q n LEU 5 Ca 0.26 0.31 -0.13 0.00 -1.11 0.00 0.00 56.01 55.34 1b9q n LEU 5 Cb 0.89 -0.72 -0.05 0.00 0.53 0.00 0.00 43.42 44.07 1b9q n LEU 5 CO 0.21 0.04 -0.96 -1.14 -1.11 0.00 0.00 177.39 174.44 1b9q n ARG 6 N -4.26 0.30 -3.83 1.96 0.63 -1.26 -4.94 116.66 105.26 1b9q n ARG 6 Ca -0.28 0.11 -0.30 0.00 -0.92 0.00 0.00 57.85 56.46 1b9q n ARG 6 Cb 0.63 -1.08 -0.15 0.00 0.45 0.00 0.00 32.46 32.31 1b9q n ARG 6 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1b9q s SER 7 N -5.90 4.18 -1.19 6.15 0.01 -1.26 -5.06 113.70 110.63 1b9q s SER 7 Ca -0.19 -1.71 -0.20 0.00 1.31 0.00 0.00 55.95 55.16 1b9q s SER 7 Cb 0.06 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.23 1b9q s SER 7 CO 0.26 -0.39 1.73 -2.16 0.41 0.00 0.00 173.24 173.09 1b9q s PRO 8 N 1.41 3.51 0.26 12.44 0.04 -1.23 -4.47 135.00 146.98 1b9q s PRO 8 Ca 0.08 -1.53 -0.30 0.00 0.04 0.00 0.00 61.00 59.30 1b9q s PRO 8 Cb -0.18 -5.41 -0.10 0.00 0.04 0.00 0.00 34.50 28.85 1b9q s PRO 8 CO -0.18 -2.66 1.32 0.20 0.04 0.00 0.00 177.00 175.71 1b9q s GLY 9 N 5.10 2.68 0.00 0.56 0.00 -1.22 -3.41 107.32 111.02 1b9q s GLY 9 Ca 0.56 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.47 1b9q s GLY 9 CO 0.05 2.01 0.00 1.39 0.00 0.00 0.00 173.10 176.55 1b9q n ILE 10 N 1.79 0.00 -0.31 0.90 5.41 -1.26 -4.68 119.36 121.21 1b9q n ILE 10 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.91 1b9q n ILE 10 Cb 0.42 0.00 0.36 0.00 -0.71 0.00 0.00 39.64 39.71 1b9q n ILE 10 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1b9q h SER 11 N 0.00 0.70 0.71 4.38 0.87 -1.95 0.67 113.55 118.93 1b9q h SER 11 Ca 0.00 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1b9q h SER 11 Cb 0.00 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1b9q h SER 11 CO 0.00 0.31 -0.25 -0.09 -0.53 0.00 0.00 176.83 176.27 1b9q h ARG 12 N 0.71 0.00 0.00 2.24 1.12 -1.83 -3.17 114.38 113.46 1b9q h ARG 12 Ca 0.51 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 59.01 1b9q h ARG 12 Cb 0.84 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.73 1b9q h ARG 12 CO -0.27 0.25 -2.37 0.34 -3.11 0.00 0.00 179.97 174.80 1b9q n PHE 13 N -3.55 0.02 -0.28 2.20 -0.00 -0.04 -4.22 117.46 111.58 1b9q n PHE 13 Ca -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1b9q n PHE 13 Cb 0.40 -1.00 0.15 0.00 -0.00 0.00 0.00 39.48 39.02 1b9q n PHE 13 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 1b9q h ARG 14 N 0.00 1.14 -0.30 -4.13 0.11 0.23 -2.21 114.38 109.22 1b9q h ARG 14 Ca -0.54 -0.12 -0.10 0.00 0.10 0.00 0.00 59.98 59.32 1b9q h ARG 14 Cb 2.24 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 33.08 1b9q h ARG 14 CO 0.03 0.82 -0.21 0.00 0.10 0.00 0.00 179.97 180.71 1b9q h ARG 15 N 1.15 0.57 -0.45 0.08 3.08 -1.76 -2.21 114.38 114.85 1b9q h ARG 15 Ca 0.30 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1b9q h ARG 15 Cb -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1b9q h ARG 15 CO -0.05 0.75 0.02 -0.22 -1.07 0.00 0.00 179.97 179.40 1b9q h LYS 16 N 0.51 0.71 -0.25 0.04 3.11 -1.58 0.49 116.57 119.61 1b9q h LYS 16 Ca 0.08 -0.17 -0.05 0.00 -2.81 0.00 0.00 60.65 57.70 1b9q h LYS 16 Cb 0.65 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1b9q h LYS 16 CO 0.05 0.71 -0.03 0.82 -2.81 0.00 0.00 179.45 178.19 1b9q h ILE 17 N 0.68 1.27 -0.58 2.00 2.04 -1.13 -2.67 117.51 119.12 1b9q h ILE 17 Ca 0.14 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 1b9q h ILE 17 Cb 0.38 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1b9q h ILE 17 CO 0.01 0.31 0.04 0.00 0.00 0.00 0.00 178.15 178.51 1b9q h ALA 18 N 0.79 0.77 0.00 1.87 0.00 -0.94 -2.50 119.26 119.25 1b9q h ALA 18 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1b9q h ALA 18 Cb 0.46 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b9q h ALA 18 CO 0.02 0.57 -0.02 0.87 0.00 0.00 0.00 179.25 180.69 1b9q h LYS 19 N 0.88 0.00 0.23 0.00 1.57 0.10 0.23 116.57 119.59 1b9q h LYS 19 Ca 0.17 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.61 1b9q h LYS 19 Cb 0.49 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.83 1b9q h LYS 19 CO 0.02 0.02 -1.55 -0.09 -0.57 0.00 0.00 179.45 177.28 1b9q h ARG 20 N 0.00 0.50 0.02 3.15 2.43 -1.11 -3.14 114.38 116.22 1b9q h ARG 20 Ca -0.00 -0.85 -0.03 0.00 -0.81 0.00 0.00 59.98 58.30 1b9q h ARG 20 Cb 0.05 0.32 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1b9q h ARG 20 CO 0.00 1.40 -0.11 1.03 -1.51 0.00 0.00 179.97 180.78 1b9q h SER 21 N 0.14 0.07 -0.92 -3.80 0.87 -1.07 -3.33 113.55 105.50 1b9q h SER 21 Ca -0.28 -0.96 0.08 0.00 -1.23 0.00 0.00 61.79 59.40 1b9q h SER 21 Cb 2.15 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 64.02 1b9q h SER 21 CO 0.25 1.02 0.59 0.40 -0.53 0.00 0.00 176.83 178.57 1b9q h ILE 22 N -0.87 1.03 -0.94 2.23 2.04 -0.73 -1.68 117.51 118.59 1b9q h ILE 22 Ca -0.02 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1b9q h ILE 22 Cb 1.06 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1b9q h ILE 22 CO 0.02 0.18 0.59 0.50 0.00 0.00 0.00 178.15 179.45 1b9q h LYS 23 N 1.00 1.05 -0.56 2.37 3.64 -1.67 -0.29 116.57 122.11 1b9q h LYS 23 Ca 0.41 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1b9q h LYS 23 Cb 0.28 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1b9q h LYS 23 CO -0.17 0.69 0.07 1.15 -2.27 0.00 0.00 179.45 178.92 1b9q h THR 24 N 1.08 1.25 -0.31 1.00 2.02 -1.42 -0.57 112.91 115.96 1b9q h THR 24 Ca 0.41 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1b9q h THR 24 Cb 0.17 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1b9q h THR 24 CO -0.17 0.36 0.10 0.25 0.37 0.00 0.00 175.52 176.43 1b9q h LEU 25 N 0.86 0.45 -0.79 2.58 7.12 -0.89 -2.84 115.31 121.81 1b9q h LEU 25 Ca 0.17 -0.20 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1b9q h LEU 25 Cb 0.42 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.39 1b9q h LEU 25 CO 0.01 0.53 0.39 -0.33 -0.13 0.00 0.00 178.44 178.91 1b9q h GLU 26 N 0.35 1.12 -2.16 1.25 5.08 -0.81 -2.98 114.58 116.44 1b9q h GLU 26 Ca 0.10 -0.16 -0.43 0.00 -1.00 0.00 0.00 59.36 57.88 1b9q h GLU 26 Cb 0.23 -0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.16 1b9q h GLU 26 CO -0.00 0.86 0.64 0.72 -1.00 0.00 0.00 179.01 180.23 1b9q n HIS 27 N -4.38 1.20 0.00 4.33 8.25 -0.25 -3.63 115.22 120.74 1b9q n HIS 27 Ca 0.07 -1.98 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 1b9q n HIS 27 Cb 0.12 -1.61 0.00 0.00 1.12 0.00 0.00 29.99 29.62 1b9q n HIS 27 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1b9q n LYS 28 N 1.80 0.00 0.15 -0.41 0.00 -1.12 -4.63 118.16 113.95 1b9q n LYS 28 Ca 0.51 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.89 1b9q n LYS 28 Cb 0.62 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.71 1b9q n LYS 28 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1b9q h ARG 29 N 0.00 0.00 -0.01 1.64 -0.00 -1.74 -3.28 114.38 110.99 1b9q h ARG 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1b9q h ARG 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1b9q h ARG 29 CO 0.00 0.19 -0.55 0.39 -0.00 0.00 0.00 179.97 179.99 1b9q n GLU 30 N -3.03 0.61 -2.04 0.08 1.02 -1.24 -4.28 120.64 111.77 1b9q n GLU 30 Ca 0.01 -0.46 -0.28 0.00 -0.02 0.00 0.00 57.16 56.42 1b9q n GLU 30 Cb 0.63 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1b9q n GLU 30 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1b9q n ASN 31 N -0.79 5.48 -3.73 1.62 5.15 -1.24 -5.00 115.26 116.76 1b9q n ASN 31 Ca 0.08 -3.75 -0.13 0.00 -0.60 0.00 0.00 54.58 50.18 1b9q n ASN 31 Cb 0.38 -0.52 -0.10 0.00 -0.53 0.00 0.00 39.78 39.01 1b9q n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b9q s ALA 32 N -3.65 -1.06 0.00 5.20 0.00 -1.26 -4.81 121.76 116.17 1b9q s ALA 32 Ca 0.52 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1b9q s ALA 32 Cb 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1b9q s ALA 32 CO -0.07 -0.21 0.00 1.63 0.00 0.00 0.00 175.76 177.12 1b9q n LYS 33 N 2.91 0.00 0.00 0.00 4.76 -1.26 -5.03 118.16 119.54 1b9q n LYS 33 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1b9q n LYS 33 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1b9q n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12