#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqt n ILE 2 N 0.00 5.40 -3.53 -1.33 5.41 -1.26 -4.86 119.36 119.19 1rqt n ILE 2 Ca 0.00 -5.89 -0.24 0.00 1.00 0.00 0.00 62.75 57.62 1rqt n ILE 2 Cb 0.00 -1.55 -0.02 0.00 -0.71 0.00 0.00 39.64 37.36 1rqt n ILE 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1rqt s THR 3 N -4.28 5.14 0.19 1.39 -4.23 -1.26 -5.00 115.64 107.60 1rqt s THR 3 Ca 0.41 -0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 1rqt s THR 3 Cb 0.20 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.31 1rqt s THR 3 CO -0.12 -0.46 1.78 0.11 -0.54 0.00 0.00 174.62 175.39 1rqt h LYS 4 N 1.03 0.48 -0.56 3.99 1.57 -2.00 -1.42 116.57 119.66 1rqt h LYS 4 Ca -0.50 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1rqt h LYS 4 Cb 1.22 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1rqt h LYS 4 CO 0.62 0.32 0.37 -0.44 -0.57 0.00 0.00 179.45 179.75 1rqt h ASP 5 N 0.50 0.64 -0.24 0.86 3.32 -1.99 -0.78 116.42 118.72 1rqt h ASP 5 Ca 0.25 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.36 1rqt h ASP 5 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1rqt h ASP 5 CO -0.20 0.46 0.22 1.56 -1.72 0.00 0.00 179.24 179.56 1rqt h GLN 6 N 0.75 0.00 0.04 3.56 1.08 -1.61 0.19 115.11 119.12 1rqt h GLN 6 Ca 0.21 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.18 1rqt h GLN 6 Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1rqt h GLN 6 CO -0.05 0.00 -1.02 0.82 -0.95 0.00 0.00 178.83 177.63 1rqt h ILE 7 N 0.00 1.50 -0.36 2.54 2.04 -0.58 -3.17 117.51 119.48 1rqt h ILE 7 Ca 0.12 -2.82 0.05 0.00 1.00 0.00 0.00 64.86 63.20 1rqt h ILE 7 Cb 0.55 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 1rqt h ILE 7 CO -0.00 0.82 0.11 0.40 0.00 0.00 0.00 178.15 179.48 1rqt h ILE 8 N 0.11 0.87 0.00 -0.67 2.04 -0.15 0.12 117.51 119.82 1rqt h ILE 8 Ca -0.08 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1rqt h ILE 8 Cb 1.70 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1rqt h ILE 8 CO 0.16 0.04 0.00 -0.33 0.00 0.00 0.00 178.15 178.03 1rqt h GLU 9 N 0.25 0.00 0.05 2.37 5.08 -1.49 -1.57 114.58 119.27 1rqt h GLU 9 Ca 0.17 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 1rqt h GLU 9 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1rqt h GLU 9 CO -0.19 0.00 -0.64 0.00 -1.00 0.00 0.00 179.01 177.18 1rqt h ALA 10 N 2.08 0.01 0.00 3.43 0.00 -0.76 -3.14 119.26 120.88 1rqt h ALA 10 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1rqt h ALA 10 Cb 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rqt h ALA 10 CO 0.00 0.34 -0.18 0.28 0.00 0.00 0.00 179.25 179.69 1rqt h VAL 11 N -0.24 0.91 -0.06 0.00 2.07 -0.65 0.32 116.25 118.60 1rqt h VAL 11 Ca -0.09 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1rqt h VAL 11 Cb 1.40 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1rqt h VAL 11 CO 0.12 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.89 1rqt n ALA 12 N -2.41 2.55 -0.07 1.67 0.00 -0.89 -2.91 120.51 118.46 1rqt n ALA 12 Ca -0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1rqt n ALA 12 Cb 0.26 -1.17 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 1rqt n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt n ALA 13 N -0.38 1.66 -2.08 0.00 0.00 0.10 -4.98 120.51 114.82 1rqt n ALA 13 Ca 0.11 -1.13 -0.19 0.00 0.00 0.00 0.00 53.44 52.24 1rqt n ALA 13 Cb 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1rqt n ALA 13 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rqt s MET 14 N -2.64 2.68 0.74 0.00 -1.94 -1.15 -5.11 119.30 111.88 1rqt s MET 14 Ca -0.09 -1.39 -0.11 0.00 -1.71 0.00 0.00 55.69 52.39 1rqt s MET 14 Cb 0.07 -2.62 0.04 0.00 2.01 0.00 0.00 34.83 34.33 1rqt s MET 14 CO 0.84 -0.31 1.12 -1.54 -0.01 0.00 0.00 175.02 175.11 1rqt s SER 15 N -4.31 5.12 0.21 3.03 1.04 -1.26 -4.93 113.70 112.60 1rqt s SER 15 Ca 0.53 0.99 -0.09 0.00 0.48 0.00 0.00 55.95 57.86 1rqt s SER 15 Cb -0.07 -1.68 0.23 0.00 0.10 0.00 0.00 66.02 64.59 1rqt s SER 15 CO 0.32 -1.53 1.82 0.58 0.98 0.00 0.00 173.24 175.41 1rqt h VAL 16 N -0.78 1.01 -0.57 5.02 2.07 -2.00 -1.72 116.25 119.29 1rqt h VAL 16 Ca -0.45 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1rqt h VAL 16 Cb 1.28 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1rqt h VAL 16 CO 0.64 0.14 0.25 0.24 0.02 0.00 0.00 177.57 178.86 1rqt h MET 17 N 0.75 0.45 -0.62 1.57 2.86 -1.99 0.16 114.93 118.12 1rqt h MET 17 Ca 0.30 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.01 1rqt h MET 17 Cb 0.14 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1rqt h MET 17 CO -0.16 0.30 0.41 0.22 1.06 0.00 0.00 176.91 178.74 1rqt h ASP 18 N 0.46 0.40 0.47 1.22 1.82 -1.69 0.38 116.42 119.47 1rqt h ASP 18 Ca 0.27 0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.68 1rqt h ASP 18 Cb 0.26 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1rqt h ASP 18 CO -0.23 0.24 -1.04 0.58 -1.61 0.00 0.00 179.24 177.18 1rqt h VAL 19 N 0.44 1.45 -0.11 2.25 2.07 -0.48 -2.57 116.25 119.29 1rqt h VAL 19 Ca 0.29 -2.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.12 1rqt h VAL 19 Cb 0.53 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1rqt h VAL 19 CO -0.08 0.79 0.07 0.58 0.02 0.00 0.00 177.57 178.95 1rqt h VAL 20 N 0.16 1.07 -0.07 2.57 2.07 0.12 0.61 116.25 122.78 1rqt h VAL 20 Ca -0.09 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1rqt h VAL 20 Cb 1.70 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1rqt h VAL 20 CO 0.17 0.06 0.04 -0.33 0.02 0.00 0.00 177.57 177.54 1rqt h GLU 21 N 0.11 0.09 0.24 1.57 4.39 -1.18 0.57 114.58 120.37 1rqt h GLU 21 Ca 0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1rqt h GLU 21 Cb 0.04 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1rqt h GLU 21 CO -0.01 0.07 -0.31 1.25 -1.16 0.00 0.00 179.01 178.85 1rqt h LEU 22 N 0.08 -0.86 -0.65 1.33 5.85 -1.26 0.15 115.31 119.96 1rqt h LEU 22 Ca 0.02 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1rqt h LEU 22 Cb 0.00 0.29 -0.12 0.00 0.37 0.00 0.00 40.66 41.20 1rqt h LEU 22 CO -0.01 -0.38 -0.14 0.40 -0.34 0.00 0.00 178.44 177.97 1rqt h ILE 23 N -0.56 0.36 -0.88 4.05 1.08 -0.82 0.38 117.51 121.12 1rqt h ILE 23 Ca -0.03 -0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 1rqt h ILE 23 Cb 0.50 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.55 1rqt h ILE 23 CO -0.07 0.00 0.57 0.28 -0.69 0.00 0.00 178.15 178.24 1rqt h SER 24 N 0.01 0.85 0.58 1.72 0.02 -0.45 -1.20 113.55 115.08 1rqt h SER 24 Ca 0.31 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1rqt h SER 24 Cb 0.49 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1rqt h SER 24 CO -0.66 0.53 -0.36 0.00 -1.14 0.00 0.00 176.83 175.21 1rqt h ALA 25 N 1.53 -0.90 -0.67 3.77 0.00 0.27 -2.62 119.26 120.63 1rqt h ALA 25 Ca 0.39 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1rqt h ALA 25 Cb 0.27 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1rqt h ALA 25 CO -0.15 -1.02 0.23 0.52 0.00 0.00 0.00 179.25 178.82 1rqt h MET 26 N -0.89 0.37 -0.78 0.00 2.07 -0.65 0.34 114.93 115.39 1rqt h MET 26 Ca -0.07 -0.02 0.18 0.00 -2.07 0.00 0.00 59.70 57.72 1rqt h MET 26 Cb 0.72 -0.08 -0.12 0.00 -1.87 0.00 0.00 31.60 30.25 1rqt h MET 26 CO 0.07 0.24 0.22 0.93 1.07 0.00 0.00 176.91 179.44 1rqt h GLU 27 N 0.38 0.28 0.12 1.72 5.08 -0.91 0.35 114.58 121.60 1rqt h GLU 27 Ca 0.36 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1rqt h GLU 27 Cb 0.51 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.72 1rqt h GLU 27 CO -0.38 0.18 -0.75 1.49 -1.00 0.00 0.00 179.01 178.55 1rqt h GLU 28 N 0.29 0.29 0.24 2.33 4.81 -0.79 0.19 114.58 121.95 1rqt h GLU 28 Ca 0.46 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1rqt h GLU 28 Cb 0.81 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1rqt h GLU 28 CO -0.53 1.22 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.53 1rqt h LYS 29 N -0.38 -0.44 0.00 1.92 1.63 0.53 -1.85 116.57 117.98 1rqt h LYS 29 Ca -0.13 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1rqt h LYS 29 Cb 1.58 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 1rqt h LYS 29 CO 0.14 -0.29 0.00 1.19 -3.45 0.00 0.00 179.45 177.04 1rqt n PHE 30 N -3.67 0.00 -3.59 1.91 3.72 0.12 -4.90 117.46 111.04 1rqt n PHE 30 Ca -0.05 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.07 1rqt n PHE 30 Cb 0.21 -0.25 0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1rqt n PHE 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqt n GLY 31 N 0.53 -1.05 2.52 1.37 0.00 -0.47 -4.94 105.19 103.15 1rqt n GLY 31 Ca 0.11 0.48 -0.25 0.00 0.00 0.00 0.00 46.02 46.36 1rqt n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rqt n VAL 32 N -3.81 1.70 -3.93 1.61 0.31 0.54 -5.00 118.33 109.76 1rqt n VAL 32 Ca -0.10 -5.05 -0.34 0.00 -0.01 0.00 0.00 64.34 58.85 1rqt n VAL 32 Cb 0.59 -1.56 -0.14 0.00 -0.91 0.00 0.00 33.84 31.83 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1rqt s SER 33 N -2.59 4.90 -0.31 4.52 1.04 -1.26 -4.84 113.70 115.17 1rqt s SER 33 Ca 0.42 -1.79 -0.11 0.00 0.48 0.00 0.00 55.95 54.95 1rqt s SER 33 Cb 0.23 -1.70 0.19 0.00 0.10 0.00 0.00 66.02 64.83 1rqt s SER 33 CO -0.08 -0.37 1.07 0.00 0.98 0.00 0.00 173.24 174.84 1rqt s ALA 34 N 1.09 -4.35 -0.34 5.32 0.00 -1.26 -5.12 121.76 117.10 1rqt s ALA 34 Ca 0.03 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1rqt s ALA 34 Cb -0.20 -2.94 0.19 0.00 0.00 0.00 0.00 23.12 20.16 1rqt s ALA 34 CO -0.05 -2.31 0.79 0.00 0.00 0.00 0.00 175.76 174.19 1rqt s ALA 35 N 2.47 -3.15 0.59 0.00 0.00 -1.26 -5.15 121.76 115.26 1rqt s ALA 35 Ca 0.22 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 1rqt s ALA 35 Cb 0.01 -2.78 -0.13 0.00 0.00 0.00 0.00 23.12 20.23 1rqt s ALA 35 CO -0.19 -2.18 -0.00 0.00 0.00 0.00 0.00 175.76 173.39 1rqt n ALA 36 N 4.58 -2.80 -0.49 0.00 0.00 -1.26 -5.34 120.51 115.21 1rqt n ALA 36 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1rqt n ALA 36 Cb 0.58 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50