#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 5.20 -3.04 0.44 5.41 -1.26 -4.88 119.36 121.23 1rqt n ILE 2 Ca 0.00 -5.87 -0.26 0.00 1.00 0.00 0.00 62.75 57.62 1rqt n ILE 2 Cb 0.00 -1.56 -0.01 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 -4.24 4.99 0.19 1.39 -4.23 -1.26 -4.99 115.64 107.50 1rqt s THR 3 Ca 0.41 -0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 1rqt s THR 3 Cb 0.20 -3.84 0.11 0.00 1.34 0.00 0.00 72.50 70.32 1rqt s THR 3 CO -0.12 -0.64 1.74 0.11 -0.54 0.00 0.00 174.62 175.17 1rqt h LYS 4 N 0.71 0.33 -0.44 3.99 1.57 -2.00 -1.56 116.57 119.17 1rqt h LYS 4 Ca -0.48 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1rqt h LYS 4 Cb 1.21 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1rqt h LYS 4 CO 0.62 0.22 0.23 -0.44 -0.57 0.00 0.00 179.45 179.51 1rqt h ASP 5 N 0.34 0.33 -0.41 0.86 3.32 -1.99 -0.20 116.42 118.66 1rqt h ASP 5 Ca 0.26 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.45 1rqt h ASP 5 Cb 0.31 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1rqt h ASP 5 CO -0.28 0.24 0.39 1.56 -1.72 0.00 0.00 179.24 179.42 1rqt h GLN 6 N 0.45 0.00 0.03 3.56 1.08 -1.63 0.67 115.11 119.27 1rqt h GLN 6 Ca 0.19 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.16 1rqt h GLN 6 Cb 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1rqt h GLN 6 CO -0.13 0.00 -1.10 0.82 -0.95 0.00 0.00 178.83 177.48 1rqt h ILE 7 N 0.00 1.62 0.16 2.54 1.08 -0.75 -3.10 117.51 119.06 1rqt h ILE 7 Ca 0.20 -3.30 -0.01 0.00 -0.39 0.00 0.00 64.86 61.35 1rqt h ILE 7 Cb 0.98 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.58 1rqt h ILE 7 CO -0.00 0.94 -0.08 0.40 -0.69 0.00 0.00 178.15 178.72 1rqt h ILE 8 N 0.02 0.87 0.00 -0.67 1.08 0.86 -0.99 117.51 118.68 1rqt h ILE 8 Ca -0.05 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1rqt h ILE 8 Cb 1.83 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.53 1rqt h ILE 8 CO 0.14 0.03 0.00 1.05 -0.69 0.00 0.00 178.15 178.69 1rqt h GLU 9 N -0.28 0.00 0.01 2.37 4.11 -1.52 -1.89 114.58 117.38 1rqt h GLU 9 Ca -0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.18 1rqt h GLU 9 Cb 0.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1rqt h GLU 9 CO 0.04 0.00 -0.88 0.00 0.07 0.00 0.00 179.01 178.24 1rqt h ALA 10 N 2.03 0.10 0.00 1.06 0.00 -1.14 -2.22 119.26 119.10 1rqt h ALA 10 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1rqt h ALA 10 Cb 0.17 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rqt h ALA 10 CO 0.00 0.55 -0.16 0.28 0.00 0.00 0.00 179.25 179.92 1rqt h VAL 11 N 0.18 0.44 -0.12 0.00 2.07 -0.53 -1.16 116.25 117.14 1rqt h VAL 11 Ca -0.11 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1rqt h VAL 11 Cb 1.56 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1rqt h VAL 11 CO 0.17 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.92 1rqt n ALA 12 N -2.20 2.52 -0.06 1.67 0.00 -0.93 -3.61 120.51 117.90 1rqt n ALA 12 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 53.44 52.84 1rqt n ALA 12 Cb 0.37 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.60 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 1.83 -1.99 0.00 0.00 -0.46 -4.97 120.51 115.39 1rqt n ALA 13 Ca 0.17 -1.04 -0.21 0.00 0.00 0.00 0.00 53.44 52.37 1rqt n ALA 13 Cb 0.39 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.77 2.37 0.66 0.00 -1.94 -1.10 -5.09 119.30 111.43 1rqt s MET 14 Ca -0.08 -0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 52.82 1rqt s MET 14 Cb 0.08 -2.49 -0.01 0.00 2.01 0.00 0.00 34.83 34.41 1rqt s MET 14 CO 0.84 -0.84 1.06 -1.54 -0.01 0.00 0.00 175.02 174.53 1rqt s SER 15 N -4.50 5.85 0.14 3.03 1.04 -1.26 -4.92 113.70 113.08 1rqt s SER 15 Ca 0.59 1.32 -0.15 0.00 0.48 0.00 0.00 55.95 58.19 1rqt s SER 15 Cb -0.09 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.78 1rqt s SER 15 CO 0.39 -1.10 1.71 0.58 0.98 0.00 0.00 173.24 175.80 1rqt h VAL 16 N -0.48 1.19 -0.40 5.02 2.07 -1.99 -0.95 116.25 120.71 1rqt h VAL 16 Ca -0.44 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1rqt h VAL 16 Cb 1.22 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1rqt h VAL 16 CO 0.62 0.21 0.25 0.24 0.02 0.00 0.00 177.57 178.92 1rqt h MET 17 N 0.56 0.50 -0.04 1.57 2.86 -1.99 0.19 114.93 118.59 1rqt h MET 17 Ca 0.15 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1rqt h MET 17 Cb 0.14 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1rqt h MET 17 CO -0.02 0.33 -0.05 0.22 1.06 0.00 0.00 176.91 178.45 1rqt h ASP 18 N 0.52 0.05 0.49 1.22 1.82 -1.87 -0.86 116.42 117.78 1rqt h ASP 18 Ca 0.15 -0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.54 1rqt h ASP 18 Cb -0.04 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1rqt h ASP 18 CO -0.04 0.11 -1.06 0.58 -1.61 0.00 0.00 179.24 177.21 1rqt h VAL 19 N 0.05 1.45 -0.36 2.25 2.07 -0.16 -2.68 116.25 118.87 1rqt h VAL 19 Ca 0.01 -2.73 0.01 0.00 0.82 0.00 0.00 66.70 64.82 1rqt h VAL 19 Cb 0.13 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1rqt h VAL 19 CO 0.01 0.80 0.22 0.58 0.02 0.00 0.00 177.57 179.20 1rqt h VAL 20 N 0.15 1.05 -0.66 2.57 2.07 0.67 0.53 116.25 122.64 1rqt h VAL 20 Ca -0.10 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1rqt h VAL 20 Cb 1.74 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1rqt h VAL 20 CO 0.18 0.08 0.43 -0.33 0.02 0.00 0.00 177.57 177.95 1rqt h GLU 21 N 0.44 0.85 0.27 1.57 4.39 -1.30 0.52 114.58 121.33 1rqt h GLU 21 Ca 0.14 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1rqt h GLU 21 Cb -0.01 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1rqt h GLU 21 CO -0.06 0.57 -0.22 1.25 -1.16 0.00 0.00 179.01 179.39 1rqt h LEU 22 N 0.88 -0.58 -0.93 1.33 6.46 -1.05 0.37 115.31 121.79 1rqt h LEU 22 Ca 0.24 0.04 0.25 0.00 -0.12 0.00 0.00 57.88 58.29 1rqt h LEU 22 Cb -0.09 0.18 -0.13 0.00 -0.73 0.00 0.00 40.66 39.89 1rqt h LEU 22 CO -0.06 -0.31 0.44 0.40 -0.62 0.00 0.00 178.44 178.29 1rqt h ILE 23 N -0.48 0.42 -0.55 4.05 1.08 -0.80 0.71 117.51 121.95 1rqt h ILE 23 Ca -0.04 -0.13 -0.07 0.00 -0.39 0.00 0.00 64.86 64.23 1rqt h ILE 23 Cb 0.40 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1rqt h ILE 23 CO 0.00 0.07 0.05 0.28 -0.69 0.00 0.00 178.15 177.87 1rqt h SER 24 N 0.39 0.87 0.45 1.72 0.02 -0.45 -1.02 113.55 115.52 1rqt h SER 24 Ca 0.61 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1rqt h SER 24 Cb 1.22 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 1rqt h SER 24 CO -0.56 0.90 -0.26 0.00 -1.14 0.00 0.00 176.83 175.78 1rqt h ALA 25 N 1.20 -1.12 -0.96 3.77 0.00 0.47 -2.53 119.26 120.09 1rqt h ALA 25 Ca 0.17 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.14 1rqt h ALA 25 Cb 0.43 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 1rqt h ALA 25 CO 0.02 -1.09 0.54 0.52 0.00 0.00 0.00 179.25 179.24 1rqt h MET 26 N -0.66 0.61 -0.81 0.00 2.07 -1.24 0.23 114.93 115.14 1rqt h MET 26 Ca -0.06 -0.04 0.16 0.00 -2.07 0.00 0.00 59.70 57.70 1rqt h MET 26 Cb 0.52 -0.14 -0.10 0.00 -1.87 0.00 0.00 31.60 30.01 1rqt h MET 26 CO 0.07 0.41 0.34 0.93 1.07 0.00 0.00 176.91 179.72 1rqt h GLU 27 N 0.63 0.44 0.11 1.72 5.08 -0.94 0.44 114.58 122.06 1rqt h GLU 27 Ca 0.57 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.75 1rqt h GLU 27 Cb 0.97 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.14 1rqt h GLU 27 CO -0.43 0.29 -0.67 1.49 -1.00 0.00 0.00 179.01 178.69 1rqt h GLU 28 N 0.45 0.26 0.27 2.33 4.81 -0.26 0.11 114.58 122.55 1rqt h GLU 28 Ca 0.46 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1rqt h GLU 28 Cb 0.75 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1rqt h GLU 28 CO -0.44 1.19 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.61 1rqt h LYS 29 N -0.45 -0.44 0.00 1.92 1.63 -0.09 -1.81 116.57 117.33 1rqt h LYS 29 Ca -0.12 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1rqt h LYS 29 Cb 1.52 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.25 1rqt h LYS 29 CO 0.13 -0.30 0.00 1.19 -3.45 0.00 0.00 179.45 177.02 1rqt n PHE 30 N -3.58 0.00 -4.02 1.91 3.72 0.15 -4.88 117.46 110.76 1rqt n PHE 30 Ca -0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.03 1rqt n PHE 30 Cb 0.20 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.41 -0.42 2.90 1.37 0.00 -0.54 -4.89 105.19 104.03 1rqt n GLY 31 Ca 0.15 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.52 2.98 -3.95 1.61 3.14 -0.08 -5.00 118.33 112.51 1rqt n VAL 32 Ca -0.25 -5.55 -0.35 0.00 -2.96 0.00 0.00 64.34 55.23 1rqt n VAL 32 Cb 0.66 -1.40 -0.10 0.00 -1.06 0.00 0.00 33.84 31.94 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1rqt s SER 33 N -3.42 5.57 -0.24 6.55 1.04 -1.26 -4.74 113.70 117.21 1rqt s SER 33 Ca 0.48 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 1rqt s SER 33 Cb 0.28 -1.97 0.01 0.00 0.10 0.00 0.00 66.02 64.44 1rqt s SER 33 CO -0.13 0.13 0.03 0.00 0.98 0.00 0.00 173.24 174.25 1rqt n ALA 34 N 3.84 -3.44 -3.15 5.32 0.00 -1.26 -5.06 120.51 116.75 1rqt n ALA 34 Ca -0.16 0.67 0.04 0.00 0.00 0.00 0.00 53.44 53.98 1rqt n ALA 34 Cb 0.52 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 1rqt n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt s ALA 35 N -1.23 -2.60 0.47 0.00 0.00 -1.26 -5.14 121.76 111.99 1rqt s ALA 35 Ca -0.04 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 1rqt s ALA 35 Cb 0.00 -2.61 -0.14 0.00 0.00 0.00 0.00 23.12 20.37 1rqt s ALA 35 CO 0.65 -1.93 0.15 0.00 0.00 0.00 0.00 175.76 174.63 1rqt n ALA 36 N 5.19 -2.51 -0.98 0.00 0.00 -1.26 -5.21 120.51 115.74 1rqt n ALA 36 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1rqt n ALA 36 Cb 0.55 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50