#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 5.38 -1.52 2.46 5.41 -1.26 -4.90 119.36 124.93 1rqt n ILE 2 Ca 0.00 -5.13 -0.31 0.00 1.00 0.00 0.00 62.75 58.31 1rqt n ILE 2 Cb 0.00 -1.65 0.07 0.00 -0.71 0.00 0.00 39.64 37.35 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 -3.46 3.72 0.27 1.39 -4.23 -1.26 -4.95 115.64 107.11 1rqt s THR 3 Ca 0.46 0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 61.49 1rqt s THR 3 Cb 0.23 -3.26 0.22 0.00 1.34 0.00 0.00 72.50 71.04 1rqt s THR 3 CO -0.17 -0.73 1.90 0.11 -0.54 0.00 0.00 174.62 175.20 1rqt h LYS 4 N -0.87 1.12 -0.77 3.99 1.57 -2.00 -2.25 116.57 117.36 1rqt h LYS 4 Ca -0.45 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1rqt h LYS 4 Cb 1.23 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1rqt h LYS 4 CO 0.57 0.81 0.47 -0.44 -0.57 0.00 0.00 179.45 180.29 1rqt h ASP 5 N 1.13 0.75 -0.18 0.86 5.19 -1.99 0.72 116.42 122.91 1rqt h ASP 5 Ca 0.29 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.77 1rqt h ASP 5 Cb -0.00 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1rqt h ASP 5 CO -0.05 0.49 0.16 1.56 -3.12 0.00 0.00 179.24 178.29 1rqt h GLN 6 N 0.88 0.00 0.00 3.56 1.08 -1.75 0.22 115.11 119.10 1rqt h GLN 6 Ca 0.33 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.34 1rqt h GLN 6 Cb 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1rqt h GLN 6 CO -0.15 0.00 -0.90 0.82 -0.95 0.00 0.00 178.83 177.65 1rqt h ILE 7 N 0.00 1.58 -0.11 2.54 1.08 -0.81 -2.80 117.51 118.98 1rqt h ILE 7 Ca 0.09 -3.15 -0.00 0.00 -0.39 0.00 0.00 64.86 61.41 1rqt h ILE 7 Cb 0.41 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.89 1rqt h ILE 7 CO -0.00 0.88 0.07 0.40 -0.69 0.00 0.00 178.15 178.81 1rqt h ILE 8 N 0.00 1.05 0.00 -0.67 1.08 -0.04 -1.42 117.51 117.51 1rqt h ILE 8 Ca -0.01 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1rqt h ILE 8 Cb 1.66 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1rqt h ILE 8 CO 0.12 0.05 0.00 -0.62 -0.69 0.00 0.00 178.15 177.01 1rqt n GLU 9 N -4.99 0.06 0.04 2.37 1.02 -1.04 -2.73 120.64 115.38 1rqt n GLU 9 Ca -0.05 0.19 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 1rqt n GLU 9 Cb 0.05 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 1rqt n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rqt h ALA 10 N 2.62 0.03 0.00 0.62 0.00 -1.00 -2.76 119.26 118.78 1rqt h ALA 10 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1rqt h ALA 10 Cb 0.41 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rqt h ALA 10 CO 0.00 0.50 -0.49 0.28 0.00 0.00 0.00 179.25 179.54 1rqt h VAL 11 N 0.05 1.18 -0.05 0.00 2.07 -1.28 -2.09 116.25 116.13 1rqt h VAL 11 Ca -0.13 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1rqt h VAL 11 Cb 1.60 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1rqt h VAL 11 CO 0.17 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1rqt n ALA 12 N -2.37 2.57 -0.01 1.67 0.00 -1.10 -2.94 120.51 118.32 1rqt n ALA 12 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1rqt n ALA 12 Cb 0.55 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.45 2.04 -2.00 0.00 0.00 -0.78 -4.95 120.51 114.36 1rqt n ALA 13 Ca 0.13 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 1rqt n ALA 13 Cb 0.13 -0.69 0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.96 2.69 0.62 0.00 -1.94 -1.15 -5.10 119.30 111.46 1rqt s MET 14 Ca -0.06 -1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 52.75 1rqt s MET 14 Cb 0.09 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1rqt s MET 14 CO 0.84 -0.47 1.03 -1.54 -0.01 0.00 0.00 175.02 174.87 1rqt s SER 15 N -4.39 6.24 0.20 3.03 1.04 -1.26 -4.88 113.70 113.68 1rqt s SER 15 Ca 0.56 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.30 1rqt s SER 15 Cb -0.10 -2.47 0.24 0.00 0.10 0.00 0.00 66.02 63.79 1rqt s SER 15 CO 0.35 -0.86 1.73 0.58 0.98 0.00 0.00 173.24 176.02 1rqt h VAL 16 N -0.30 0.74 -0.38 5.02 2.07 -1.99 -0.11 116.25 121.32 1rqt h VAL 16 Ca -0.44 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1rqt h VAL 16 Cb 1.19 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1rqt h VAL 16 CO 0.62 0.06 0.18 0.24 0.02 0.00 0.00 177.57 178.69 1rqt h MET 17 N 0.32 0.36 -0.56 1.57 2.86 -1.99 0.22 114.93 117.71 1rqt h MET 17 Ca 0.28 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 1rqt h MET 17 Cb 0.37 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1rqt h MET 17 CO -0.32 0.23 0.37 0.22 1.06 0.00 0.00 176.91 178.47 1rqt h ASP 18 N 0.37 0.54 0.73 1.22 1.82 -1.58 -0.56 116.42 118.96 1rqt h ASP 18 Ca 0.16 -0.01 -0.20 0.00 -0.39 0.00 0.00 57.03 56.60 1rqt h ASP 18 Cb 0.08 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1rqt h ASP 18 CO -0.12 0.37 -0.90 0.58 -1.61 0.00 0.00 179.24 177.56 1rqt h VAL 19 N 0.63 1.56 -0.44 2.25 2.07 0.14 -2.57 116.25 119.89 1rqt h VAL 19 Ca 0.23 -2.83 -0.04 0.00 0.82 0.00 0.00 66.70 64.88 1rqt h VAL 19 Cb 0.12 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1rqt h VAL 19 CO -0.06 0.82 0.13 0.58 0.02 0.00 0.00 177.57 179.06 1rqt h VAL 20 N 0.05 1.22 -0.30 2.57 2.07 0.87 0.18 116.25 122.91 1rqt h VAL 20 Ca -0.03 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1rqt h VAL 20 Cb 1.55 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1rqt h VAL 20 CO 0.13 0.27 0.18 -0.33 0.02 0.00 0.00 177.57 177.84 1rqt h GLU 21 N 0.57 0.41 0.28 1.57 4.39 -1.19 0.46 114.58 121.08 1rqt h GLU 21 Ca 0.14 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1rqt h GLU 21 Cb 0.27 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1rqt h GLU 21 CO -0.00 0.32 -0.22 1.25 -1.16 0.00 0.00 179.01 179.19 1rqt h LEU 22 N 0.39 -0.59 -0.91 1.33 5.85 -1.22 0.29 115.31 120.45 1rqt h LEU 22 Ca 0.11 0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.12 1rqt h LEU 22 Cb 0.01 0.19 -0.14 0.00 0.37 0.00 0.00 40.66 41.09 1rqt h LEU 22 CO -0.02 -0.32 0.36 0.40 -0.34 0.00 0.00 178.44 178.52 1rqt h ILE 23 N -0.49 0.37 -0.75 4.05 1.08 -0.93 0.88 117.51 121.72 1rqt h ILE 23 Ca -0.04 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 1rqt h ILE 23 Cb 0.41 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 1rqt h ILE 23 CO 0.01 0.05 0.28 0.28 -0.69 0.00 0.00 178.15 178.08 1rqt h SER 24 N 0.30 1.03 0.45 1.72 0.02 -0.46 -0.14 113.55 116.47 1rqt h SER 24 Ca 0.59 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 1rqt h SER 24 Cb 1.20 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1rqt h SER 24 CO -0.60 0.93 -0.22 0.00 -1.14 0.00 0.00 176.83 175.80 1rqt h ALA 25 N 1.22 -1.12 -0.95 3.77 0.00 0.45 -2.82 119.26 119.80 1rqt h ALA 25 Ca 0.25 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.25 1rqt h ALA 25 Cb 0.23 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1rqt h ALA 25 CO -0.02 -1.08 0.51 0.52 0.00 0.00 0.00 179.25 179.18 1rqt h MET 26 N -0.63 0.50 -0.80 0.00 2.07 -1.07 0.30 114.93 115.30 1rqt h MET 26 Ca -0.06 -0.03 0.18 0.00 -2.07 0.00 0.00 59.70 57.71 1rqt h MET 26 Cb 0.47 -0.11 -0.11 0.00 -1.87 0.00 0.00 31.60 29.97 1rqt h MET 26 CO 0.10 0.33 0.29 0.93 1.07 0.00 0.00 176.91 179.64 1rqt h GLU 27 N 0.51 0.36 0.04 1.72 5.08 -0.88 0.31 114.58 121.74 1rqt h GLU 27 Ca 0.60 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.87 1rqt h GLU 27 Cb 1.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1rqt h GLU 27 CO -0.49 0.24 -0.34 1.49 -1.00 0.00 0.00 179.01 178.91 1rqt h GLU 28 N 0.37 0.09 0.21 2.33 4.81 -0.26 -0.33 114.58 121.81 1rqt h GLU 28 Ca 0.47 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1rqt h GLU 28 Cb 0.81 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1rqt h GLU 28 CO -0.49 1.08 -0.27 -0.22 -0.73 0.00 0.00 179.01 178.38 1rqt h LYS 29 N -0.80 -0.47 0.00 1.92 1.63 -0.42 -1.01 116.57 117.42 1rqt h LYS 29 Ca -0.07 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1rqt h LYS 29 Cb 1.22 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1rqt h LYS 29 CO 0.03 -0.32 0.00 1.19 -3.45 0.00 0.00 179.45 176.91 1rqt n PHE 30 N -3.98 0.00 -4.10 1.91 3.72 0.11 -4.88 117.46 110.24 1rqt n PHE 30 Ca -0.06 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 1rqt n PHE 30 Cb 0.23 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.29 2.76 1.37 0.00 -0.38 -4.85 105.19 104.33 1rqt n GLY 31 Ca 0.16 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.53 3.19 -3.17 1.61 3.14 -0.24 -4.99 118.33 113.34 1rqt n VAL 32 Ca -0.29 -4.49 -0.39 0.00 -2.96 0.00 0.00 64.34 56.21 1rqt n VAL 32 Cb 0.67 -1.25 -0.06 0.00 -1.06 0.00 0.00 33.84 32.15 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 -1.92 6.69 -0.46 6.55 1.04 -1.26 -4.92 113.70 119.42 1rqt s SER 33 Ca 0.51 0.83 0.07 0.00 0.48 0.00 0.00 55.95 57.84 1rqt s SER 33 Cb 0.43 -2.33 0.24 0.00 0.10 0.00 0.00 66.02 64.46 1rqt s SER 33 CO -0.34 -0.19 0.57 0.00 0.98 0.00 0.00 173.24 174.26 1rqt n ALA 34 N 4.63 2.89 -3.17 5.32 0.00 -1.26 -4.98 120.51 123.93 1rqt n ALA 34 Ca -0.03 -3.75 0.01 0.00 0.00 0.00 0.00 53.44 49.66 1rqt n ALA 34 Cb 0.50 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.44 -2.41 0.39 0.00 0.00 -1.26 -5.11 121.76 111.93 1rqt s ALA 35 Ca 0.36 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1rqt s ALA 35 Cb 0.15 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1rqt s ALA 35 CO -0.09 -2.23 0.00 0.00 0.00 0.00 0.00 175.76 173.44 1rqt n ALA 36 N 4.31 -1.99 0.07 0.00 0.00 -1.26 -5.30 120.51 116.34 1rqt n ALA 36 Ca 0.11 0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.93 1rqt n ALA 36 Cb 0.57 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.78 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50