#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 5.45 -2.77 0.44 5.41 -1.26 -4.92 119.36 121.71 1rqt n ILE 2 Ca 0.00 -5.88 -0.27 0.00 1.00 0.00 0.00 62.75 57.60 1rqt n ILE 2 Cb 0.00 -1.51 -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 -4.38 4.92 0.16 1.39 -4.23 -1.26 -4.99 115.64 107.25 1rqt s THR 3 Ca 0.41 0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.96 1rqt s THR 3 Cb 0.21 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.26 1rqt s THR 3 CO -0.14 -0.75 1.79 0.11 -0.54 0.00 0.00 174.62 175.09 1rqt h LYS 4 N 0.48 0.68 -0.87 3.99 6.56 -2.00 -2.19 116.57 123.22 1rqt h LYS 4 Ca -0.47 -0.07 0.08 0.00 -1.06 0.00 0.00 60.65 59.13 1rqt h LYS 4 Cb 1.20 -0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 32.66 1rqt h LYS 4 CO 0.62 0.51 0.53 -0.44 -2.06 0.00 0.00 179.45 178.60 1rqt h ASP 5 N 0.66 0.80 -0.14 0.86 3.32 -2.00 0.13 116.42 120.06 1rqt h ASP 5 Ca 0.18 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1rqt h ASP 5 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1rqt h ASP 5 CO -0.03 0.49 0.13 1.56 -1.72 0.00 0.00 179.24 179.66 1rqt h GLN 6 N 0.92 0.00 0.01 3.56 1.08 -1.75 0.27 115.11 119.19 1rqt h GLN 6 Ca 0.40 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.39 1rqt h GLN 6 Cb 0.27 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1rqt h GLN 6 CO -0.21 0.00 -0.98 0.82 -0.95 0.00 0.00 178.83 177.51 1rqt h ILE 7 N 0.00 1.69 0.09 2.54 1.08 -0.59 -3.12 117.51 119.20 1rqt h ILE 7 Ca 0.07 -3.32 -0.00 0.00 -0.39 0.00 0.00 64.86 61.21 1rqt h ILE 7 Cb 0.33 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1rqt h ILE 7 CO -0.00 0.95 -0.04 0.40 -0.69 0.00 0.00 178.15 178.76 1rqt h ILE 8 N 0.00 0.94 0.00 -0.67 1.08 0.12 -1.13 117.51 117.85 1rqt h ILE 8 Ca -0.02 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1rqt h ILE 8 Cb 1.73 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 36.47 1rqt h ILE 8 CO 0.13 0.02 0.00 1.05 -0.69 0.00 0.00 178.15 178.66 1rqt h GLU 9 N -0.16 0.00 -0.01 2.37 -0.00 -1.55 -1.58 114.58 113.65 1rqt h GLU 9 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.14 1rqt h GLU 9 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.87 1rqt h GLU 9 CO 0.02 0.00 -0.87 0.00 -0.00 0.00 0.00 179.01 178.16 1rqt h ALA 10 N 2.06 0.49 0.00 1.06 0.00 -1.17 -2.50 119.26 119.20 1rqt h ALA 10 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1rqt h ALA 10 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rqt h ALA 10 CO 0.00 0.86 -0.14 0.28 0.00 0.00 0.00 179.25 180.25 1rqt h VAL 11 N 0.17 0.00 -0.07 0.00 2.07 -0.53 -2.84 116.25 115.05 1rqt h VAL 11 Ca -0.05 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1rqt h VAL 11 Cb 1.49 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1rqt h VAL 11 CO 0.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1rqt n ALA 12 N -2.06 2.56 -0.04 1.67 0.00 -0.87 -3.49 120.51 118.27 1rqt n ALA 12 Ca 0.04 -0.48 0.04 0.00 0.00 0.00 0.00 53.44 53.04 1rqt n ALA 12 Cb 0.52 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 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 0.23 2.38 -2.02 0.00 0.00 -0.96 -4.98 120.51 115.16 1rqt n ALA 13 Ca 0.18 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.68 1rqt n ALA 13 Cb 0.35 -0.53 0.04 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.12 2.59 0.62 0.00 -1.94 -1.19 -5.09 119.30 111.17 1rqt s MET 14 Ca -0.08 -0.69 -0.11 0.00 -1.71 0.00 0.00 55.69 53.10 1rqt s MET 14 Cb 0.11 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 1rqt s MET 14 CO 0.82 -0.70 1.03 -1.54 -0.01 0.00 0.00 175.02 174.63 1rqt s SER 15 N -4.40 6.20 0.19 3.03 1.04 -1.26 -4.93 113.70 113.56 1rqt s SER 15 Ca 0.56 1.42 -0.12 0.00 0.48 0.00 0.00 55.95 58.29 1rqt s SER 15 Cb -0.10 -2.46 0.20 0.00 0.10 0.00 0.00 66.02 63.76 1rqt s SER 15 CO 0.39 -0.89 1.76 0.58 0.98 0.00 0.00 173.24 176.06 1rqt h VAL 16 N -0.34 0.85 -0.48 5.02 2.07 -1.98 -1.55 116.25 119.85 1rqt h VAL 16 Ca -0.44 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1rqt h VAL 16 Cb 1.19 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1rqt h VAL 16 CO 0.62 0.08 0.27 0.24 0.02 0.00 0.00 177.57 178.80 1rqt h MET 17 N 0.43 0.52 -0.04 1.57 2.86 -1.99 0.89 114.93 119.17 1rqt h MET 17 Ca 0.26 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1rqt h MET 17 Cb 0.26 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1rqt h MET 17 CO -0.24 0.34 0.04 0.22 1.06 0.00 0.00 176.91 178.34 1rqt h ASP 18 N 0.53 0.00 0.20 1.22 1.82 -1.68 0.07 116.42 118.59 1rqt h ASP 18 Ca 0.20 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.49 1rqt h ASP 18 Cb 0.05 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.08 1rqt h ASP 18 CO -0.11 0.00 -1.67 0.58 -1.61 0.00 0.00 179.24 176.43 1rqt h VAL 19 N 0.00 1.02 -0.84 2.25 2.07 -0.43 -2.79 116.25 117.54 1rqt h VAL 19 Ca 0.02 -2.55 0.02 0.00 0.82 0.00 0.00 66.70 65.02 1rqt h VAL 19 Cb 0.11 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 1rqt h VAL 19 CO -0.00 0.84 0.55 0.58 0.02 0.00 0.00 177.57 179.56 1rqt h VAL 20 N 0.09 1.17 -0.25 2.57 2.07 0.62 -0.60 116.25 121.92 1rqt h VAL 20 Ca -0.32 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1rqt h VAL 20 Cb 2.10 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1rqt h VAL 20 CO 0.19 0.20 -0.18 -0.33 0.02 0.00 0.00 177.57 177.47 1rqt h GLU 21 N 1.08 0.56 0.32 1.57 5.08 -1.13 -1.25 114.58 120.81 1rqt h GLU 21 Ca 0.32 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1rqt h GLU 21 Cb -0.04 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1rqt h GLU 21 CO -0.08 0.85 -0.36 1.25 -1.00 0.00 0.00 179.01 179.67 1rqt h LEU 22 N 0.27 -1.00 -0.57 1.33 5.85 -1.08 0.33 115.31 120.44 1rqt h LEU 22 Ca 0.05 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.96 1rqt h LEU 22 Cb 0.72 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 1rqt h LEU 22 CO 0.05 -0.46 0.11 0.40 -0.34 0.00 0.00 178.44 178.19 1rqt h ILE 23 N -0.69 0.65 -0.99 4.05 5.03 -1.20 0.16 117.51 124.52 1rqt h ILE 23 Ca -0.04 -0.08 0.09 0.00 -0.12 0.00 0.00 64.86 64.71 1rqt h ILE 23 Cb 0.61 0.39 -0.07 0.00 -3.03 0.00 0.00 36.82 34.72 1rqt h ILE 23 CO -0.06 0.04 0.63 0.28 -0.68 0.00 0.00 178.15 178.36 1rqt h SER 24 N 0.24 0.95 0.48 1.72 0.02 -0.81 -0.10 113.55 116.05 1rqt h SER 24 Ca 0.30 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1rqt h SER 24 Cb 0.43 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1rqt h SER 24 CO -0.39 0.56 -0.23 0.00 -1.14 0.00 0.00 176.83 175.63 1rqt h ALA 25 N 1.51 -1.17 -1.00 3.77 0.00 0.25 -2.88 119.26 119.75 1rqt h ALA 25 Ca 0.46 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.46 1rqt h ALA 25 Cb 0.35 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1rqt h ALA 25 CO -0.21 -1.12 0.59 0.52 0.00 0.00 0.00 179.25 179.03 1rqt h MET 26 N -0.65 0.60 -0.67 0.00 2.07 -0.99 0.27 114.93 115.56 1rqt h MET 26 Ca -0.07 -0.04 0.14 0.00 -2.07 0.00 0.00 59.70 57.66 1rqt h MET 26 Cb 0.50 -0.14 -0.10 0.00 -1.87 0.00 0.00 31.60 29.99 1rqt h MET 26 CO 0.11 0.40 0.14 0.93 1.07 0.00 0.00 176.91 179.56 1rqt h GLU 27 N 0.62 0.25 0.04 1.72 5.08 -0.87 0.20 114.58 121.61 1rqt h GLU 27 Ca 0.63 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.91 1rqt h GLU 27 Cb 1.13 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1rqt h GLU 27 CO -0.45 0.16 -0.27 1.49 -1.00 0.00 0.00 179.01 178.94 1rqt h GLU 28 N 0.25 0.09 -0.01 2.33 4.81 -0.47 -1.41 114.58 120.16 1rqt h GLU 28 Ca 0.36 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1rqt h GLU 28 Cb 0.59 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1rqt h GLU 28 CO -0.47 1.07 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.46 1rqt h LYS 29 N -0.82 -0.23 0.00 1.92 1.63 -0.20 -0.20 116.57 118.68 1rqt h LYS 29 Ca -0.05 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1rqt h LYS 29 Cb 1.19 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1rqt h LYS 29 CO 0.04 -0.15 0.00 1.19 -3.45 0.00 0.00 179.45 177.08 1rqt n PHE 30 N -3.59 0.11 -3.97 1.91 3.72 0.67 -4.90 117.46 111.41 1rqt n PHE 30 Ca -0.03 0.04 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 1rqt n PHE 30 Cb 0.14 -0.56 -0.01 0.00 -0.94 0.00 0.00 39.48 38.11 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 0.49 -0.54 2.32 1.37 0.00 -0.09 -4.91 105.19 103.83 1rqt n GLY 31 Ca 0.04 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.52 1.01 -3.48 1.61 0.31 -1.01 -5.02 118.33 107.23 1rqt n VAL 32 Ca -0.21 -4.69 -0.43 0.00 -0.01 0.00 0.00 64.34 59.00 1rqt n VAL 32 Cb 0.64 -2.03 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rqt s SER 33 N -1.91 5.92 -0.86 4.52 0.15 -1.26 -4.93 113.70 115.33 1rqt s SER 33 Ca 0.38 -1.44 0.01 0.00 0.70 0.00 0.00 55.95 55.60 1rqt s SER 33 Cb 0.16 -2.10 0.33 0.00 -1.71 0.00 0.00 66.02 62.70 1rqt s SER 33 CO -0.06 -0.61 1.54 0.00 1.20 0.00 0.00 173.24 175.31 1rqt n ALA 34 N 5.08 5.64 -3.50 5.45 0.00 -1.26 -4.88 120.51 127.03 1rqt n ALA 34 Ca -0.11 -4.60 -0.32 0.00 0.00 0.00 0.00 53.44 48.41 1rqt n ALA 34 Cb 0.43 -1.66 0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.17 -2.48 -1.45 0.00 0.00 -1.26 -4.51 120.51 110.63 1rqt n ALA 35 Ca 0.42 0.27 -0.63 0.00 0.00 0.00 0.00 53.44 53.51 1rqt n ALA 35 Cb 0.31 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.80 -0.35 -1.56 0.00 0.00 -1.26 -5.32 120.51 111.22 1rqt n ALA 36 Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1rqt n ALA 36 Cb 0.66 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50