#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 5.15 -2.88 0.44 2.08 -1.26 -4.87 119.36 118.02 1rqt n ILE 2 Ca 0.00 -4.79 -0.27 0.00 0.56 0.00 0.00 62.75 58.25 1rqt n ILE 2 Cb 0.00 -1.72 -0.01 0.00 -0.75 0.00 0.00 39.64 37.17 1rqt n ILE 2 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1rqt s THR 3 N -2.97 4.96 0.16 1.39 -4.23 -1.26 -4.99 115.64 108.69 1rqt s THR 3 Ca 0.49 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 1rqt s THR 3 Cb 0.24 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 70.28 1rqt s THR 3 CO -0.16 -0.71 1.77 0.11 -0.54 0.00 0.00 174.62 175.08 1rqt h LYS 4 N 0.54 0.68 -0.79 3.99 1.57 -2.00 -2.37 116.57 118.19 1rqt h LYS 4 Ca -0.48 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1rqt h LYS 4 Cb 1.21 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1rqt h LYS 4 CO 0.62 0.53 0.49 -0.44 -0.57 0.00 0.00 179.45 180.08 1rqt h ASP 5 N 0.65 0.77 -0.16 0.86 5.19 -1.98 0.35 116.42 122.10 1rqt h ASP 5 Ca 0.17 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.64 1rqt h ASP 5 Cb 0.05 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1rqt h ASP 5 CO -0.03 0.51 0.15 1.56 -3.12 0.00 0.00 179.24 178.31 1rqt h GLN 6 N 0.91 0.00 0.01 3.56 7.50 -1.76 0.19 115.11 125.52 1rqt h GLN 6 Ca 0.33 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 59.28 1rqt h GLN 6 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1rqt h GLN 6 CO -0.15 0.00 -0.96 0.82 -1.50 0.00 0.00 178.83 177.04 1rqt h ILE 7 N 0.00 1.66 -0.34 2.54 1.08 -0.75 -3.11 117.51 118.59 1rqt h ILE 7 Ca 0.08 -3.20 0.01 0.00 -0.39 0.00 0.00 64.86 61.36 1rqt h ILE 7 Cb 0.37 2.75 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 1rqt h ILE 7 CO -0.00 0.92 0.21 0.40 -0.69 0.00 0.00 178.15 178.98 1rqt h ILE 8 N 0.01 1.05 0.00 -0.67 2.04 -0.13 -1.00 117.51 118.82 1rqt h ILE 8 Ca -0.02 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1rqt h ILE 8 Cb 1.69 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1rqt h ILE 8 CO 0.13 0.08 -0.01 -0.33 0.00 0.00 0.00 178.15 178.01 1rqt h GLU 9 N 0.42 0.00 0.04 2.37 5.08 -1.49 -1.12 114.58 119.89 1rqt h GLU 9 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 1rqt h GLU 9 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rqt h GLU 9 CO -0.05 0.01 -1.01 0.00 -1.00 0.00 0.00 179.01 176.96 1rqt h ALA 10 N 1.99 0.33 0.00 3.43 0.00 -1.15 -2.89 119.26 120.97 1rqt h ALA 10 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1rqt h ALA 10 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rqt h ALA 10 CO 0.00 0.91 -0.05 0.28 0.00 0.00 0.00 179.25 180.40 1rqt h VAL 11 N 0.14 0.00 -0.31 0.00 2.07 -0.40 -2.88 116.25 114.87 1rqt h VAL 11 Ca -0.08 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1rqt h VAL 11 Cb 1.68 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1rqt h VAL 11 CO 0.16 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1rqt n ALA 12 N -2.09 2.47 -0.04 1.67 0.00 -0.52 -3.57 120.51 118.42 1rqt n ALA 12 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 53.44 52.83 1rqt n ALA 12 Cb 0.53 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 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 0.60 2.15 -2.06 0.00 0.00 -1.09 -4.99 120.51 115.12 1rqt n ALA 13 Ca 0.15 -0.75 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 1rqt n ALA 13 Cb 0.36 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.85 2.70 0.67 0.00 -1.94 -1.23 -5.10 119.30 111.55 1rqt s MET 14 Ca -0.07 -0.80 -0.11 0.00 -1.71 0.00 0.00 55.69 53.00 1rqt s MET 14 Cb 0.08 -2.55 0.00 0.00 2.01 0.00 0.00 34.83 34.37 1rqt s MET 14 CO 0.72 -0.54 1.06 -1.54 -0.01 0.00 0.00 175.02 174.70 1rqt s SER 15 N -4.37 5.66 0.19 3.03 1.04 -1.26 -4.91 113.70 113.08 1rqt s SER 15 Ca 0.55 1.16 -0.12 0.00 0.48 0.00 0.00 55.95 58.02 1rqt s SER 15 Cb -0.10 -2.04 0.12 0.00 0.10 0.00 0.00 66.02 64.09 1rqt s SER 15 CO 0.37 -1.19 1.86 0.58 0.98 0.00 0.00 173.24 175.84 1rqt h VAL 16 N -0.52 1.15 -0.32 5.02 2.07 -1.99 -1.00 116.25 120.67 1rqt h VAL 16 Ca -0.45 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1rqt h VAL 16 Cb 1.24 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1rqt h VAL 16 CO 0.63 0.16 0.21 0.24 0.02 0.00 0.00 177.57 178.83 1rqt h MET 17 N 0.86 0.42 0.00 1.57 2.86 -1.99 1.00 114.93 119.65 1rqt h MET 17 Ca 0.24 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1rqt h MET 17 Cb -0.08 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1rqt h MET 17 CO -0.06 0.29 -0.02 0.22 1.06 0.00 0.00 176.91 178.40 1rqt h ASP 18 N 0.43 0.00 0.29 1.22 3.58 -1.81 -0.50 116.42 119.64 1rqt h ASP 18 Ca 0.12 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.30 1rqt h ASP 18 Cb -0.04 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1rqt h ASP 18 CO -0.02 0.02 -1.11 0.58 -2.88 0.00 0.00 179.24 175.83 1rqt h VAL 19 N 0.00 1.37 0.08 2.25 2.07 -0.15 -2.63 116.25 119.24 1rqt h VAL 19 Ca -0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1rqt h VAL 19 Cb 0.03 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1rqt h VAL 19 CO 0.00 0.76 -0.08 0.58 0.02 0.00 0.00 177.57 178.86 1rqt h VAL 20 N 0.24 0.82 -0.69 2.57 2.07 0.68 -0.16 116.25 121.77 1rqt h VAL 20 Ca -0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1rqt h VAL 20 Cb 1.77 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 1rqt h VAL 20 CO 0.20 0.00 0.34 -0.33 0.02 0.00 0.00 177.57 177.80 1rqt h GLU 21 N -0.18 0.58 0.06 1.57 4.39 -1.27 0.15 114.58 119.89 1rqt h GLU 21 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1rqt h GLU 21 Cb 0.17 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1rqt h GLU 21 CO -0.03 0.38 -0.04 1.25 -1.16 0.00 0.00 179.01 179.41 1rqt h LEU 22 N 0.60 -0.12 -0.89 1.33 7.12 -1.03 0.23 115.31 122.54 1rqt h LEU 22 Ca 0.33 0.01 0.24 0.00 0.13 0.00 0.00 57.88 58.59 1rqt h LEU 22 Cb 0.33 0.04 -0.14 0.00 -0.53 0.00 0.00 40.66 40.36 1rqt h LEU 22 CO -0.25 -0.06 0.29 0.40 -0.13 0.00 0.00 178.44 178.68 1rqt h ILE 23 N -0.10 0.33 -0.90 4.05 1.08 -0.87 0.84 117.51 121.93 1rqt h ILE 23 Ca -0.01 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1rqt h ILE 23 Cb 0.08 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 33.86 1rqt h ILE 23 CO 0.00 0.04 0.60 0.28 -0.69 0.00 0.00 178.15 178.38 1rqt h SER 24 N 0.24 1.03 0.85 1.72 0.02 -0.38 0.73 113.55 117.76 1rqt h SER 24 Ca 0.57 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.46 1rqt h SER 24 Cb 1.16 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.46 1rqt h SER 24 CO -0.64 0.74 -0.41 0.00 -1.14 0.00 0.00 176.83 175.38 1rqt h ALA 25 N 1.34 -1.29 -0.98 3.77 0.00 0.41 -2.78 119.26 119.73 1rqt h ALA 25 Ca 0.34 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1rqt h ALA 25 Cb -0.12 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 1rqt h ALA 25 CO -0.08 -1.20 0.58 0.52 0.00 0.00 0.00 179.25 179.06 1rqt h MET 26 N -1.16 0.71 -0.67 0.00 2.07 -1.04 0.72 114.93 115.56 1rqt h MET 26 Ca -0.12 -0.04 0.14 0.00 -2.07 0.00 0.00 59.70 57.61 1rqt h MET 26 Cb 0.87 -0.16 -0.11 0.00 -1.87 0.00 0.00 31.60 30.34 1rqt h MET 26 CO 0.19 0.47 0.09 0.93 1.07 0.00 0.00 176.91 179.66 1rqt h GLU 27 N 0.74 0.19 0.01 1.72 5.08 -0.63 0.47 114.58 122.15 1rqt h GLU 27 Ca 0.56 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1rqt h GLU 27 Cb 0.85 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1rqt h GLU 27 CO -0.38 0.12 -0.00 1.49 -1.00 0.00 0.00 179.01 179.24 1rqt h GLU 28 N 0.19 -0.01 0.08 2.33 4.81 -0.73 -0.48 114.58 120.77 1rqt h GLU 28 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1rqt h GLU 28 Cb 0.60 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1rqt h GLU 28 CO -0.51 0.75 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.09 1rqt h LYS 29 N -0.80 -0.31 0.00 1.92 1.63 -0.38 -0.29 116.57 118.34 1rqt h LYS 29 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1rqt h LYS 29 Cb 0.77 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1rqt h LYS 29 CO 0.00 -0.21 0.00 1.19 -3.45 0.00 0.00 179.45 176.99 1rqt n PHE 30 N -3.62 0.00 -4.09 1.91 3.72 0.16 -4.87 117.46 110.66 1rqt n PHE 30 Ca -0.04 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.05 1rqt n PHE 30 Cb 0.17 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.36 -0.34 2.85 1.37 0.00 -0.12 -4.87 105.19 104.44 1rqt n GLY 31 Ca 0.13 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 1rqt n GLY 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rqt n VAL 32 N -4.55 3.21 -2.61 1.61 3.14 -0.44 -4.87 118.33 113.82 1rqt n VAL 32 Ca -0.27 -5.57 -0.34 0.00 -2.96 0.00 0.00 64.34 55.20 1rqt n VAL 32 Cb 0.67 -1.52 -0.00 0.00 -1.06 0.00 0.00 33.84 31.93 1rqt n VAL 32 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1rqt n SER 33 N -0.06 5.99 -2.80 6.55 7.64 -1.26 -4.79 113.62 124.90 1rqt n SER 33 Ca 0.32 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1rqt n SER 33 Cb 0.38 -0.83 0.01 0.00 -1.01 0.00 0.00 64.21 62.76 1rqt n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rqt s ALA 34 N -3.88 -4.12 -0.36 -0.43 0.00 -1.26 -5.08 121.76 106.63 1rqt s ALA 34 Ca 0.46 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 53.31 1rqt s ALA 34 Cb 0.29 -2.96 0.24 0.00 0.00 0.00 0.00 23.12 20.68 1rqt s ALA 34 CO -0.19 -2.46 1.10 0.00 0.00 0.00 0.00 175.76 174.21 1rqt n ALA 35 N 3.49 -3.36 -1.32 0.00 0.00 -1.26 -5.11 120.51 112.95 1rqt n ALA 35 Ca 0.08 -0.28 -0.60 0.00 0.00 0.00 0.00 53.44 52.64 1rqt n ALA 35 Cb 0.63 -2.96 -0.11 0.00 0.00 0.00 0.00 19.45 17.00 1rqt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt n ALA 36 N 2.16 0.12 -0.18 0.00 0.00 -1.26 -5.26 120.51 116.09 1rqt n ALA 36 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1rqt n ALA 36 Cb 0.66 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50