#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 5.74 -1.54 -1.33 5.41 -1.26 -4.92 119.36 121.46 1rqt n ILE 2 Ca 0.00 -5.83 -0.30 0.00 1.00 0.00 0.00 62.75 57.62 1rqt n ILE 2 Cb 0.00 -1.52 0.08 0.00 -0.71 0.00 0.00 39.64 37.49 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 3.39 0.29 1.39 -4.23 -1.26 -4.95 115.64 105.86 1rqt s THR 3 Ca 0.41 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1rqt s THR 3 Cb 0.22 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 71.06 1rqt s THR 3 CO -0.15 -0.59 1.87 0.11 -0.54 0.00 0.00 174.62 175.31 1rqt h LYS 4 N -0.98 0.85 -0.61 3.99 1.57 -2.00 -2.45 116.57 116.94 1rqt h LYS 4 Ca -0.46 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1rqt h LYS 4 Cb 1.25 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1rqt h LYS 4 CO 0.58 0.71 0.37 -0.44 -0.57 0.00 0.00 179.45 180.11 1rqt h ASP 5 N 0.83 0.62 -0.57 0.86 5.19 -1.99 0.08 116.42 121.43 1rqt h ASP 5 Ca 0.19 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.77 1rqt h ASP 5 Cb 0.20 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1rqt h ASP 5 CO -0.01 0.43 0.43 1.56 -3.12 0.00 0.00 179.24 178.53 1rqt h GLN 6 N 0.74 0.00 0.00 3.56 7.50 -1.79 0.37 115.11 125.49 1rqt h GLN 6 Ca 0.24 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 59.19 1rqt h GLN 6 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 1rqt h GLN 6 CO -0.10 0.00 -0.96 0.82 -1.50 0.00 0.00 178.83 177.09 1rqt h ILE 7 N 0.00 1.68 -0.20 2.54 1.08 -0.96 -2.74 117.51 118.92 1rqt h ILE 7 Ca 0.27 -3.27 -0.00 0.00 -0.39 0.00 0.00 64.86 61.47 1rqt h ILE 7 Cb 1.13 2.77 -0.01 0.00 -3.07 0.00 0.00 36.82 37.64 1rqt h ILE 7 CO -0.00 0.94 0.11 0.40 -0.69 0.00 0.00 178.15 178.91 1rqt h ILE 8 N 0.00 1.09 0.00 -0.67 1.08 0.27 -1.40 117.51 117.89 1rqt h ILE 8 Ca -0.01 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1rqt h ILE 8 Cb 1.70 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1rqt h ILE 8 CO 0.13 0.09 0.00 -0.33 -0.69 0.00 0.00 178.15 177.34 1rqt h GLU 9 N 0.23 0.00 -0.00 2.37 5.08 -1.46 -2.46 114.58 118.33 1rqt h GLU 9 Ca 0.07 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1rqt h GLU 9 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1rqt h GLU 9 CO -0.01 0.00 -0.80 0.00 -1.00 0.00 0.00 179.01 177.20 1rqt h ALA 10 N 2.15 0.66 0.00 3.43 0.00 -0.96 -2.04 119.26 122.50 1rqt h ALA 10 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1rqt h ALA 10 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1rqt h ALA 10 CO 0.00 0.94 -0.93 0.28 0.00 0.00 0.00 179.25 179.53 1rqt h VAL 11 N 0.05 0.86 -0.42 0.00 2.07 -0.98 -3.14 116.25 114.68 1rqt h VAL 11 Ca -0.02 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1rqt h VAL 11 Cb 1.40 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1rqt h VAL 11 CO 0.11 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.19 1rqt n ALA 12 N -2.31 2.77 -0.05 1.67 0.00 -0.97 -3.64 120.51 117.99 1rqt n ALA 12 Ca -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 53.44 52.43 1rqt n ALA 12 Cb 0.81 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 0.67 1.85 -2.10 0.00 0.00 -0.78 -5.01 120.51 115.14 1rqt n ALA 13 Ca 0.16 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 1rqt n ALA 13 Cb 0.55 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.35 2.74 0.77 0.00 -1.94 -1.22 -5.08 119.30 112.22 1rqt s MET 14 Ca -0.05 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.05 1rqt s MET 14 Cb 0.04 -2.56 0.06 0.00 2.01 0.00 0.00 34.83 34.38 1rqt s MET 14 CO 0.45 -0.51 1.09 -1.54 -0.01 0.00 0.00 175.02 174.50 1rqt s SER 15 N -4.35 4.55 0.19 3.03 1.04 -1.26 -4.89 113.70 112.01 1rqt s SER 15 Ca 0.54 1.76 -0.11 0.00 0.48 0.00 0.00 55.95 58.62 1rqt s SER 15 Cb -0.10 -2.48 0.17 0.00 0.10 0.00 0.00 66.02 63.71 1rqt s SER 15 CO 0.37 -2.00 1.81 0.58 0.98 0.00 0.00 173.24 174.99 1rqt h VAL 16 N -1.10 1.01 -0.60 5.02 2.07 -1.98 -2.01 116.25 118.65 1rqt h VAL 16 Ca -0.44 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1rqt h VAL 16 Cb 1.23 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1rqt h VAL 16 CO 0.52 0.12 0.29 0.24 0.02 0.00 0.00 177.57 178.77 1rqt h MET 17 N 0.67 0.52 0.00 1.57 2.86 -1.99 0.17 114.93 118.73 1rqt h MET 17 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1rqt h MET 17 Cb 0.10 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1rqt h MET 17 CO -0.14 0.35 -0.05 0.22 1.06 0.00 0.00 176.91 178.34 1rqt h ASP 18 N 0.54 0.00 0.88 1.22 1.82 -1.75 -0.27 116.42 118.86 1rqt h ASP 18 Ca 0.28 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.69 1rqt h ASP 18 Cb 0.24 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1rqt h ASP 18 CO -0.22 0.05 -1.09 0.58 -1.61 0.00 0.00 179.24 176.96 1rqt h VAL 19 N 0.00 1.64 0.24 2.25 2.07 -0.36 -2.27 116.25 119.82 1rqt h VAL 19 Ca -0.00 -3.31 -0.01 0.00 0.82 0.00 0.00 66.70 64.20 1rqt h VAL 19 Cb 0.09 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1rqt h VAL 19 CO 0.01 0.95 -0.12 0.58 0.02 0.00 0.00 177.57 179.01 1rqt h VAL 20 N 0.02 0.82 -0.51 2.57 2.07 0.75 -0.55 116.25 121.42 1rqt h VAL 20 Ca -0.05 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1rqt h VAL 20 Cb 1.84 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1rqt h VAL 20 CO 0.15 0.11 0.23 -0.33 0.02 0.00 0.00 177.57 177.75 1rqt h GLU 21 N -0.59 0.43 0.17 1.57 4.39 -1.18 0.95 114.58 120.31 1rqt h GLU 21 Ca -0.03 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1rqt h GLU 21 Cb 0.43 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1rqt h GLU 21 CO 0.06 0.29 -0.21 1.25 -1.16 0.00 0.00 179.01 179.23 1rqt h LEU 22 N 0.45 -0.58 -0.83 1.33 5.85 -1.33 0.21 115.31 120.40 1rqt h LEU 22 Ca 0.24 0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.22 1rqt h LEU 22 Cb 0.20 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.29 1rqt h LEU 22 CO -0.20 -0.26 0.19 0.40 -0.34 0.00 0.00 178.44 178.24 1rqt h ILE 23 N -0.39 0.36 -0.82 4.05 2.04 -0.89 0.65 117.51 122.52 1rqt h ILE 23 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1rqt h ILE 23 Cb 0.34 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1rqt h ILE 23 CO -0.04 0.04 0.52 0.28 0.00 0.00 0.00 178.15 178.94 1rqt h SER 24 N 0.21 0.96 0.28 1.72 0.02 -0.29 -1.62 113.55 114.84 1rqt h SER 24 Ca 0.50 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1rqt h SER 24 Cb 0.97 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1rqt h SER 24 CO -0.62 0.72 -0.15 0.00 -1.14 0.00 0.00 176.83 175.63 1rqt h ALA 25 N 1.45 -1.06 -1.01 3.77 0.00 0.36 -2.50 119.26 120.27 1rqt h ALA 25 Ca 0.30 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.37 1rqt h ALA 25 Cb -0.09 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 1rqt h ALA 25 CO -0.06 -1.04 0.60 0.52 0.00 0.00 0.00 179.25 179.27 1rqt h MET 26 N -0.40 0.56 -0.49 0.00 2.07 -1.30 0.44 114.93 115.80 1rqt h MET 26 Ca -0.04 -0.03 0.09 0.00 -2.07 0.00 0.00 59.70 57.65 1rqt h MET 26 Cb 0.32 -0.13 -0.08 0.00 -1.87 0.00 0.00 31.60 29.84 1rqt h MET 26 CO 0.05 0.37 0.03 0.93 1.07 0.00 0.00 176.91 179.36 1rqt h GLU 27 N 0.57 0.15 0.08 1.72 5.08 -1.09 0.18 114.58 121.27 1rqt h GLU 27 Ca 0.64 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.84 1rqt h GLU 27 Cb 1.24 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1rqt h GLU 27 CO -0.46 0.10 -0.64 1.49 -1.00 0.00 0.00 179.01 178.50 1rqt h GLU 28 N 0.15 0.29 0.03 2.33 4.81 -0.18 -0.11 114.58 121.89 1rqt h GLU 28 Ca 0.25 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1rqt h GLU 28 Cb 0.36 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1rqt h GLU 28 CO -0.38 1.16 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.77 1rqt h LYS 29 N -0.37 -0.10 0.00 1.92 1.63 0.02 -1.30 116.57 118.36 1rqt h LYS 29 Ca -0.10 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1rqt h LYS 29 Cb 1.45 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1rqt h LYS 29 CO 0.12 -0.07 0.00 1.19 -3.45 0.00 0.00 179.45 177.24 1rqt n PHE 30 N -2.78 0.00 -4.03 1.91 3.72 0.59 -4.88 117.46 111.99 1rqt n PHE 30 Ca -0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 1rqt n PHE 30 Cb 0.06 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.54 -0.42 2.73 1.37 0.00 -0.41 -4.89 105.19 104.12 1rqt n GLY 31 Ca 0.18 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 2.68 -3.03 1.61 3.14 -0.19 -4.87 118.33 113.13 1rqt n VAL 32 Ca -0.25 -5.41 -0.17 0.00 -2.96 0.00 0.00 64.34 55.56 1rqt n VAL 32 Cb 0.65 -1.60 -0.03 0.00 -1.06 0.00 0.00 33.84 31.81 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1rqt n SER 33 N 0.15 -1.48 0.00 6.55 2.88 -1.26 -4.86 113.62 115.61 1rqt n SER 33 Ca 0.30 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 1rqt n SER 33 Cb 0.41 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1rqt n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rqt n ALA 34 N 2.06 0.00 -2.70 -1.46 0.00 -1.26 -5.08 120.51 112.07 1rqt n ALA 34 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1rqt n ALA 34 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 -2.92 -1.49 0.00 0.00 -1.26 -5.11 120.51 109.73 1rqt n ALA 35 Ca 0.00 -0.56 -0.61 0.00 0.00 0.00 0.00 53.44 52.26 1rqt n ALA 35 Cb 0.00 -2.60 -0.10 0.00 0.00 0.00 0.00 19.45 16.74 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 1.95 -0.25 -1.31 0.00 0.00 -1.26 -5.27 120.51 114.38 1rqt n ALA 36 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1rqt n ALA 36 Cb 0.66 -2.09 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