#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 5.71 -2.82 0.44 5.41 -1.26 -4.86 119.36 121.98 1rqt n ILE 2 Ca 0.00 -5.83 -0.27 0.00 1.00 0.00 0.00 62.75 57.65 1rqt n ILE 2 Cb 0.00 -1.52 -0.01 0.00 -0.71 0.00 0.00 39.64 37.41 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 -4.41 4.94 0.19 1.39 -4.23 -1.26 -4.98 115.64 107.27 1rqt s THR 3 Ca 0.41 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1rqt s THR 3 Cb 0.22 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.31 1rqt s THR 3 CO -0.15 -0.74 1.76 0.11 -0.54 0.00 0.00 174.62 175.06 1rqt h LYS 4 N 0.50 0.39 -0.83 3.99 6.56 -2.00 -1.23 116.57 123.95 1rqt h LYS 4 Ca -0.47 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.08 1rqt h LYS 4 Cb 1.20 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.74 1rqt h LYS 4 CO 0.62 0.26 0.47 -0.44 -2.06 0.00 0.00 179.45 178.30 1rqt h ASP 5 N 0.40 1.02 -0.36 0.86 3.32 -1.99 -1.21 116.42 118.48 1rqt h ASP 5 Ca 0.25 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.29 1rqt h ASP 5 Cb 0.25 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1rqt h ASP 5 CO -0.24 0.82 0.25 1.56 -1.72 0.00 0.00 179.24 179.91 1rqt h GLN 6 N 1.15 0.13 -0.05 3.56 1.08 -1.57 0.42 115.11 119.83 1rqt h GLN 6 Ca 0.29 -0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 57.26 1rqt h GLN 6 Cb 0.01 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1rqt h GLN 6 CO -0.05 0.08 -0.87 0.82 -0.95 0.00 0.00 178.83 177.86 1rqt h ILE 7 N 0.13 1.35 -0.35 2.54 2.04 -0.73 -3.12 117.51 119.38 1rqt h ILE 7 Ca 0.17 -2.25 0.06 0.00 1.00 0.00 0.00 64.86 63.84 1rqt h ILE 7 Cb 0.49 2.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 1rqt h ILE 7 CO -0.02 0.68 0.01 0.40 0.00 0.00 0.00 178.15 179.22 1rqt h ILE 8 N 0.32 0.75 0.00 -0.67 2.04 -0.46 0.28 117.51 119.76 1rqt h ILE 8 Ca -0.07 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1rqt h ILE 8 Cb 1.49 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1rqt h ILE 8 CO 0.16 0.02 -0.01 -0.33 0.00 0.00 0.00 178.15 177.99 1rqt h GLU 9 N 0.11 0.00 0.02 2.37 5.08 -1.43 -1.21 114.58 119.51 1rqt h GLU 9 Ca 0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1rqt h GLU 9 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1rqt h GLU 9 CO -0.28 0.01 -0.47 0.00 -1.00 0.00 0.00 179.01 177.26 1rqt h ALA 10 N 1.99 0.03 0.00 3.43 0.00 -0.45 -2.96 119.26 121.31 1rqt h ALA 10 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1rqt h ALA 10 Cb 0.07 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rqt h ALA 10 CO 0.00 0.24 -0.12 0.28 0.00 0.00 0.00 179.25 179.65 1rqt h VAL 11 N -0.34 0.68 -0.01 0.00 2.07 -0.10 0.12 116.25 118.68 1rqt h VAL 11 Ca -0.06 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1rqt h VAL 11 Cb 1.23 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1rqt h VAL 11 CO 0.09 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.79 1rqt n ALA 12 N -2.33 2.64 -0.03 1.67 0.00 -0.59 -3.24 120.51 118.63 1rqt n ALA 12 Ca -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 1rqt n ALA 12 Cb 0.22 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.47 1.85 -1.99 0.00 0.00 0.42 -4.95 120.51 115.37 1rqt n ALA 13 Ca 0.21 -0.87 -0.20 0.00 0.00 0.00 0.00 53.44 52.59 1rqt n ALA 13 Cb 0.23 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.81 2.60 0.73 0.00 -1.94 -1.16 -5.10 119.30 111.63 1rqt s MET 14 Ca -0.07 -0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 52.84 1rqt s MET 14 Cb 0.08 -2.58 0.04 0.00 2.01 0.00 0.00 34.83 34.39 1rqt s MET 14 CO 0.84 -0.59 1.11 -1.54 -0.01 0.00 0.00 175.02 174.82 1rqt s SER 15 N -4.42 5.07 0.13 3.03 1.04 -1.26 -4.91 113.70 112.39 1rqt s SER 15 Ca 0.57 0.92 -0.17 0.00 0.48 0.00 0.00 55.95 57.75 1rqt s SER 15 Cb -0.10 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 1rqt s SER 15 CO 0.37 -1.54 1.71 0.58 0.98 0.00 0.00 173.24 175.34 1rqt h VAL 16 N -0.76 1.17 -0.40 5.02 2.07 -1.99 -1.44 116.25 119.92 1rqt h VAL 16 Ca -0.45 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1rqt h VAL 16 Cb 1.29 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1rqt h VAL 16 CO 0.64 0.18 0.24 0.24 0.02 0.00 0.00 177.57 178.89 1rqt h MET 17 N 0.46 0.47 -0.66 1.57 2.86 -1.99 0.24 114.93 117.88 1rqt h MET 17 Ca 0.13 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1rqt h MET 17 Cb 0.12 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1rqt h MET 17 CO -0.02 0.31 0.44 0.22 1.06 0.00 0.00 176.91 178.92 1rqt h ASP 18 N 0.48 0.67 0.65 1.22 1.82 -1.87 -1.02 116.42 118.37 1rqt h ASP 18 Ca 0.16 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.58 1rqt h ASP 18 Cb -0.00 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1rqt h ASP 18 CO -0.07 0.46 -0.95 0.58 -1.61 0.00 0.00 179.24 177.65 1rqt h VAL 19 N 0.78 1.53 -0.99 2.25 2.07 -0.38 -2.83 116.25 118.67 1rqt h VAL 19 Ca 0.26 -2.80 0.01 0.00 0.82 0.00 0.00 66.70 64.99 1rqt h VAL 19 Cb 0.09 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1rqt h VAL 19 CO -0.07 0.81 0.66 0.58 0.02 0.00 0.00 177.57 179.57 1rqt h VAL 20 N 0.09 1.25 -0.25 2.57 2.07 0.73 0.13 116.25 122.84 1rqt h VAL 20 Ca -0.05 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1rqt h VAL 20 Cb 1.61 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1rqt h VAL 20 CO 0.14 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 1rqt h GLU 21 N 1.34 0.44 0.28 1.57 4.39 -1.31 0.51 114.58 121.79 1rqt h GLU 21 Ca 0.36 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.93 1rqt h GLU 21 Cb -0.15 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1rqt h GLU 21 CO -0.08 0.61 -0.42 1.25 -1.16 0.00 0.00 179.01 179.21 1rqt h LEU 22 N 0.21 -1.19 -1.26 1.33 5.85 -1.14 0.26 115.31 119.38 1rqt h LEU 22 Ca 0.07 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1rqt h LEU 22 Cb 0.41 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1rqt h LEU 22 CO 0.01 -0.53 0.54 0.40 -0.34 0.00 0.00 178.44 178.52 1rqt h ILE 23 N -0.76 1.02 -0.45 4.05 2.04 -0.73 -0.44 117.51 122.24 1rqt h ILE 23 Ca -0.01 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1rqt h ILE 23 Cb 0.72 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1rqt h ILE 23 CO -0.15 0.16 -0.10 0.28 0.00 0.00 0.00 178.15 178.34 1rqt h SER 24 N 0.87 0.80 0.86 1.72 0.02 -0.04 -0.94 113.55 116.84 1rqt h SER 24 Ca 0.36 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1rqt h SER 24 Cb 0.28 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.62 1rqt h SER 24 CO -0.14 0.92 -0.41 0.00 -1.14 0.00 0.00 176.83 176.07 1rqt h ALA 25 N 1.15 -1.15 -0.77 3.77 0.00 0.11 -2.79 119.26 119.58 1rqt h ALA 25 Ca 0.13 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1rqt h ALA 25 Cb 0.58 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1rqt h ALA 25 CO 0.04 -1.07 0.33 0.52 0.00 0.00 0.00 179.25 179.06 1rqt h MET 26 N -1.30 0.47 -0.69 0.00 2.07 -1.30 0.35 114.93 114.53 1rqt h MET 26 Ca -0.12 -0.03 0.15 0.00 -2.07 0.00 0.00 59.70 57.63 1rqt h MET 26 Cb 0.88 -0.11 -0.11 0.00 -1.87 0.00 0.00 31.60 30.40 1rqt h MET 26 CO 0.19 0.31 0.13 0.93 1.07 0.00 0.00 176.91 179.55 1rqt h GLU 27 N 0.48 0.23 0.15 1.72 5.08 -1.07 0.20 114.58 121.38 1rqt h GLU 27 Ca 0.43 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.54 1rqt h GLU 27 Cb 0.64 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.85 1rqt h GLU 27 CO -0.39 0.15 -1.07 1.49 -1.00 0.00 0.00 179.01 178.19 1rqt h GLU 28 N 0.24 0.33 0.29 2.33 4.81 -0.87 -0.01 114.58 121.70 1rqt h GLU 28 Ca 0.38 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1rqt h GLU 28 Cb 0.63 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1rqt h GLU 28 CO -0.50 1.27 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.61 1rqt h LYS 29 N -0.27 -0.47 0.00 1.92 1.63 0.16 -2.08 116.57 117.46 1rqt h LYS 29 Ca -0.20 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1rqt h LYS 29 Cb 1.76 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1rqt h LYS 29 CO 0.15 -0.31 0.00 1.19 -3.45 0.00 0.00 179.45 177.03 1rqt n PHE 30 N -3.65 0.00 -3.76 1.91 3.72 0.65 -4.90 117.46 111.43 1rqt n PHE 30 Ca -0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.02 1rqt n PHE 30 Cb 0.21 -0.25 0.03 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 0.63 -0.84 2.39 1.37 0.00 -0.49 -4.93 105.19 103.32 1rqt n GLY 31 Ca 0.12 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.30 1.37 -3.72 1.61 0.31 -0.14 -5.00 118.33 108.47 1rqt n VAL 32 Ca -0.13 -4.86 -0.37 0.00 -0.01 0.00 0.00 64.34 58.96 1rqt n VAL 32 Cb 0.61 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rqt s SER 33 N -2.20 6.52 -0.39 4.52 0.01 -1.26 -4.62 113.70 116.28 1rqt s SER 33 Ca 0.39 0.62 -0.17 0.00 1.31 0.00 0.00 55.95 58.10 1rqt s SER 33 Cb 0.18 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 64.30 1rqt s SER 33 CO -0.06 0.34 0.48 0.00 0.41 0.00 0.00 173.24 174.42 1rqt n ALA 34 N 2.14 -2.89 -2.70 1.44 0.00 -1.26 -5.01 120.51 112.23 1rqt n ALA 34 Ca -0.17 0.83 -0.05 0.00 0.00 0.00 0.00 53.44 54.05 1rqt n ALA 34 Cb 0.54 -2.85 0.05 0.00 0.00 0.00 0.00 19.45 17.19 1rqt n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt n ALA 35 N -0.02 -2.90 -3.89 0.00 0.00 -1.26 -4.99 120.51 107.43 1rqt n ALA 35 Ca 0.05 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 1rqt n ALA 35 Cb 0.43 -2.57 0.02 0.00 0.00 0.00 0.00 19.45 17.33 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 2.06 -2.68 -1.64 0.00 0.00 -1.26 -5.15 120.51 111.85 1rqt n ALA 36 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1rqt n ALA 36 Cb 0.65 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50