#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 5.46 -1.97 -1.33 5.41 -1.26 -4.94 119.36 120.72 1rqt n ILE 2 Ca 0.00 -5.90 -0.31 0.00 1.00 0.00 0.00 62.75 57.53 1rqt n ILE 2 Cb 0.00 -1.57 0.00 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 -4.22 4.54 0.15 1.39 -4.23 -1.26 -4.97 115.64 107.04 1rqt s THR 3 Ca 0.40 0.94 -0.17 0.00 -1.18 0.00 0.00 61.69 61.68 1rqt s THR 3 Cb 0.20 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.29 1rqt s THR 3 CO -0.11 -0.97 1.80 0.11 -0.54 0.00 0.00 174.62 174.91 1rqt h LYS 4 N -0.02 0.44 -0.79 3.99 1.79 -2.00 -1.88 116.57 118.09 1rqt h LYS 4 Ca -0.45 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1rqt h LYS 4 Cb 1.19 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.68 1rqt h LYS 4 CO 0.61 0.29 0.47 -0.44 -1.08 0.00 0.00 179.45 179.30 1rqt h ASP 5 N 0.46 0.71 -0.03 0.86 5.19 -2.00 0.61 116.42 122.21 1rqt h ASP 5 Ca 0.14 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1rqt h ASP 5 Cb -0.01 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 1rqt h ASP 5 CO -0.06 0.44 0.03 1.56 -3.12 0.00 0.00 179.24 178.09 1rqt h GLN 6 N 0.84 0.00 0.00 3.56 4.20 -1.72 0.12 115.11 122.12 1rqt h GLN 6 Ca 0.36 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.89 1rqt h GLN 6 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1rqt h GLN 6 CO -0.19 0.00 -0.83 0.82 -0.67 0.00 0.00 178.83 177.96 1rqt h ILE 7 N 0.00 1.57 0.11 2.54 2.04 -0.49 -2.90 117.51 120.38 1rqt h ILE 7 Ca 0.01 -2.77 -0.01 0.00 1.00 0.00 0.00 64.86 63.10 1rqt h ILE 7 Cb 0.07 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1rqt h ILE 7 CO -0.00 0.80 -0.05 0.40 0.00 0.00 0.00 178.15 179.29 1rqt h ILE 8 N 0.02 0.90 0.00 -0.67 1.08 -0.32 -1.43 117.51 117.09 1rqt h ILE 8 Ca -0.01 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1rqt h ILE 8 Cb 1.46 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.13 1rqt h ILE 8 CO 0.11 0.01 0.00 -0.33 -0.69 0.00 0.00 178.15 177.25 1rqt h GLU 9 N -0.15 0.00 0.02 2.37 5.08 -1.47 -1.46 114.58 118.97 1rqt h GLU 9 Ca -0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 1rqt h GLU 9 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1rqt h GLU 9 CO 0.02 0.00 -0.99 0.00 -1.00 0.00 0.00 179.01 177.04 1rqt h ALA 10 N 2.05 0.31 0.00 3.43 0.00 -1.07 -2.58 119.26 121.40 1rqt h ALA 10 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1rqt h ALA 10 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rqt h ALA 10 CO 0.00 0.83 -0.31 0.28 0.00 0.00 0.00 179.25 180.05 1rqt h VAL 11 N 0.22 0.60 -0.07 0.00 2.07 -0.68 -2.06 116.25 116.33 1rqt h VAL 11 Ca -0.09 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1rqt h VAL 11 Cb 1.64 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1rqt h VAL 11 CO 0.17 0.30 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1rqt n ALA 12 N -2.20 2.57 -0.05 1.67 0.00 -0.98 -3.56 120.51 117.95 1rqt n ALA 12 Ca 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 1rqt n ALA 12 Cb 0.57 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 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 0.07 1.93 -2.07 0.00 0.00 -0.84 -5.01 120.51 114.59 1rqt n ALA 13 Ca 0.18 -0.71 -0.19 0.00 0.00 0.00 0.00 53.44 52.71 1rqt n ALA 13 Cb 0.31 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.53 2.75 0.60 0.00 -1.94 -0.84 -5.09 119.30 112.26 1rqt s MET 14 Ca -0.06 -0.95 -0.09 0.00 -1.71 0.00 0.00 55.69 52.87 1rqt s MET 14 Cb 0.06 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 1rqt s MET 14 CO 0.56 -0.43 0.97 -1.54 -0.01 0.00 0.00 175.02 174.57 1rqt s SER 15 N -4.35 6.10 0.20 3.03 1.04 -1.26 -4.93 113.70 113.52 1rqt s SER 15 Ca 0.54 1.23 -0.10 0.00 0.48 0.00 0.00 55.95 58.10 1rqt s SER 15 Cb -0.10 -2.31 0.23 0.00 0.10 0.00 0.00 66.02 63.95 1rqt s SER 15 CO 0.36 -0.87 1.76 0.58 0.98 0.00 0.00 173.24 176.05 1rqt h VAL 16 N -0.23 0.85 -0.60 5.02 2.07 -1.99 -1.40 116.25 119.97 1rqt h VAL 16 Ca -0.45 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1rqt h VAL 16 Cb 1.21 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1rqt h VAL 16 CO 0.62 0.09 0.19 0.24 0.02 0.00 0.00 177.57 178.73 1rqt h MET 17 N 0.47 0.35 -0.35 1.57 2.86 -1.99 0.33 114.93 118.17 1rqt h MET 17 Ca 0.28 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1rqt h MET 17 Cb 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1rqt h MET 17 CO -0.25 0.23 0.20 0.22 1.06 0.00 0.00 176.91 178.37 1rqt h ASP 18 N 0.36 0.41 0.95 1.22 1.82 -1.65 -0.58 116.42 118.95 1rqt h ASP 18 Ca 0.31 -0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.75 1rqt h ASP 18 Cb 0.41 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 1rqt h ASP 18 CO -0.34 0.33 -0.83 0.58 -1.61 0.00 0.00 179.24 177.37 1rqt h VAL 19 N 0.48 1.53 -0.41 2.25 2.07 -0.13 -2.82 116.25 119.22 1rqt h VAL 19 Ca 0.13 -2.91 -0.09 0.00 0.82 0.00 0.00 66.70 64.65 1rqt h VAL 19 Cb -0.00 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1rqt h VAL 19 CO -0.02 0.81 -0.10 0.58 0.02 0.00 0.00 177.57 178.86 1rqt h VAL 20 N 0.00 1.27 0.07 2.57 2.07 0.99 -1.19 116.25 122.04 1rqt h VAL 20 Ca -0.01 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1rqt h VAL 20 Cb 1.53 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1rqt h VAL 20 CO 0.11 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.73 1rqt h GLU 21 N 0.60 -0.09 0.19 1.57 5.08 -1.23 0.50 114.58 121.20 1rqt h GLU 21 Ca 0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1rqt h GLU 21 Cb 0.62 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1rqt h GLU 21 CO 0.04 -0.05 -0.32 1.25 -1.00 0.00 0.00 179.01 178.94 1rqt h LEU 22 N -0.12 -0.91 -0.73 1.33 5.85 -1.40 0.18 115.31 119.51 1rqt h LEU 22 Ca -0.01 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.96 1rqt h LEU 22 Cb 0.09 0.32 -0.13 0.00 0.37 0.00 0.00 40.66 41.31 1rqt h LEU 22 CO 0.02 -0.38 -0.01 0.40 -0.34 0.00 0.00 178.44 178.13 1rqt h ILE 23 N -0.54 0.36 -0.80 4.05 2.04 -1.18 0.57 117.51 122.00 1rqt h ILE 23 Ca -0.02 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1rqt h ILE 23 Cb 0.50 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1rqt h ILE 23 CO -0.11 0.02 0.53 0.28 0.00 0.00 0.00 178.15 178.87 1rqt h SER 24 N 0.09 0.83 0.63 1.72 0.02 -0.29 -0.14 113.55 116.42 1rqt h SER 24 Ca 0.39 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1rqt h SER 24 Cb 0.68 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1rqt h SER 24 CO -0.65 0.57 -0.30 0.00 -1.14 0.00 0.00 176.83 175.30 1rqt h ALA 25 N 1.54 -1.20 -0.85 3.77 0.00 0.32 -2.34 119.26 120.50 1rqt h ALA 25 Ca 0.33 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1rqt h ALA 25 Cb 0.08 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1rqt h ALA 25 CO -0.10 -1.14 0.43 0.52 0.00 0.00 0.00 179.25 178.96 1rqt h MET 26 N -0.86 0.58 -0.67 0.00 2.07 -1.11 0.32 114.93 115.25 1rqt h MET 26 Ca -0.09 -0.04 0.14 0.00 -2.07 0.00 0.00 59.70 57.64 1rqt h MET 26 Cb 0.65 -0.13 -0.10 0.00 -1.87 0.00 0.00 31.60 30.15 1rqt h MET 26 CO 0.14 0.39 0.15 0.93 1.07 0.00 0.00 176.91 179.59 1rqt h GLU 27 N 0.60 0.26 0.06 1.72 5.08 -0.88 0.32 114.58 121.74 1rqt h GLU 27 Ca 0.47 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.71 1rqt h GLU 27 Cb 0.68 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1rqt h GLU 27 CO -0.37 0.17 -0.42 1.49 -1.00 0.00 0.00 179.01 178.87 1rqt h GLU 28 N 0.27 0.19 0.21 2.33 4.81 -0.48 -0.48 114.58 121.43 1rqt h GLU 28 Ca 0.37 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1rqt h GLU 28 Cb 0.59 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1rqt h GLU 28 CO -0.46 1.09 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.45 1rqt h LYS 29 N -0.57 -0.44 0.00 1.92 1.63 0.01 -1.35 116.57 117.77 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 1.28 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 1rqt h LYS 29 CO 0.08 -0.29 0.00 1.19 -3.45 0.00 0.00 179.45 176.98 1rqt n PHE 30 N -3.78 0.00 -4.09 1.91 3.72 0.11 -4.88 117.46 110.45 1rqt n PHE 30 Ca -0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.06 1rqt n PHE 30 Cb 0.21 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.51 -0.24 2.51 1.37 0.00 -0.31 -4.89 105.19 104.14 1rqt n GLY 31 Ca 0.13 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.43 1.72 -2.67 1.61 0.31 -0.46 -5.00 118.33 109.41 1rqt n VAL 32 Ca -0.25 -5.04 -0.43 0.00 -0.01 0.00 0.00 64.34 58.61 1rqt n VAL 32 Cb 0.65 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.56 6.73 -0.64 4.52 0.01 -1.25 -4.45 113.70 116.05 1rqt s SER 33 Ca 0.42 -2.13 -0.15 0.00 1.31 0.00 0.00 55.95 55.40 1rqt s SER 33 Cb 0.22 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.94 1rqt s SER 33 CO -0.08 -1.21 0.64 0.00 0.41 0.00 0.00 173.24 173.00 1rqt n ALA 34 N 7.96 -2.63 -3.04 1.44 0.00 -1.26 -4.98 120.51 118.01 1rqt n ALA 34 Ca 0.39 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.98 1rqt n ALA 34 Cb 0.48 -1.71 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.46 -2.91 0.61 0.00 0.00 -1.26 -5.13 121.76 110.61 1rqt s ALA 35 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1rqt s ALA 35 Cb -0.02 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1rqt s ALA 35 CO 0.85 -2.30 0.00 0.00 0.00 0.00 0.00 175.76 174.31 1rqt n ALA 36 N 4.03 -3.65 0.89 0.00 0.00 -1.26 -4.95 120.51 115.57 1rqt n ALA 36 Ca 0.10 0.91 0.11 0.00 0.00 0.00 0.00 53.44 54.56 1rqt n ALA 36 Cb 0.59 -1.54 0.09 0.00 0.00 0.00 0.00 19.45 18.59 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50