#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 5.09 -3.07 2.46 5.41 -1.26 -4.89 119.36 123.09 1rqt n ILE 2 Ca 0.00 -5.85 -0.25 0.00 1.00 0.00 0.00 62.75 57.65 1rqt n ILE 2 Cb 0.00 -1.57 -0.01 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 -4.19 5.02 0.17 1.39 -4.23 -1.26 -4.99 115.64 107.55 1rqt s THR 3 Ca 0.41 -0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.60 1rqt s THR 3 Cb 0.20 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.24 1rqt s THR 3 CO -0.11 -0.67 1.76 0.11 -0.54 0.00 0.00 174.62 175.17 1rqt h LYS 4 N 0.57 0.36 -0.76 3.99 1.57 -2.00 -1.53 116.57 118.77 1rqt h LYS 4 Ca -0.49 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1rqt h LYS 4 Cb 1.21 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 1rqt h LYS 4 CO 0.62 0.24 0.46 -0.44 -0.57 0.00 0.00 179.45 179.76 1rqt h ASP 5 N 0.37 0.73 -0.26 0.86 3.32 -2.00 0.27 116.42 119.72 1rqt h ASP 5 Ca 0.20 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.34 1rqt h ASP 5 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1rqt h ASP 5 CO -0.18 0.48 0.19 1.56 -1.72 0.00 0.00 179.24 179.57 1rqt h GLN 6 N 0.86 0.00 0.02 3.56 1.08 -1.64 0.87 115.11 119.87 1rqt h GLN 6 Ca 0.32 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.31 1rqt h GLN 6 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1rqt h GLN 6 CO -0.15 0.00 -0.96 0.82 -0.95 0.00 0.00 178.83 177.59 1rqt h ILE 7 N 0.00 1.54 -0.24 2.54 1.08 -0.52 -2.98 117.51 118.93 1rqt h ILE 7 Ca 0.12 -2.85 0.03 0.00 -0.39 0.00 0.00 64.86 61.77 1rqt h ILE 7 Cb 0.50 2.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.84 1rqt h ILE 7 CO -0.00 0.83 0.07 0.40 -0.69 0.00 0.00 178.15 178.75 1rqt h ILE 8 N 0.07 0.92 0.00 -0.67 1.08 -0.24 0.08 117.51 118.75 1rqt h ILE 8 Ca -0.05 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1rqt h ILE 8 Cb 1.63 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1rqt h ILE 8 CO 0.14 0.03 0.00 -0.62 -0.69 0.00 0.00 178.15 177.01 1rqt n GLU 9 N -5.06 0.02 0.12 2.37 -0.58 -1.05 -2.44 120.64 114.03 1rqt n GLU 9 Ca -0.02 0.22 -0.22 0.00 -0.42 0.00 0.00 57.16 56.73 1rqt n GLU 9 Cb 0.09 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.29 1rqt n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rqt h ALA 10 N 2.57 -0.03 0.00 0.62 0.00 -0.84 -2.61 119.26 118.97 1rqt h ALA 10 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 1rqt h ALA 10 Cb 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1rqt h ALA 10 CO 0.00 0.76 -0.66 0.28 0.00 0.00 0.00 179.25 179.63 1rqt h VAL 11 N 0.17 1.20 -0.00 0.00 2.07 -1.14 -2.77 116.25 115.78 1rqt h VAL 11 Ca -0.20 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1rqt h VAL 11 Cb 2.03 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 1rqt h VAL 11 CO 0.24 0.65 -0.00 0.00 0.02 0.00 0.00 177.57 178.48 1rqt n ALA 12 N -2.30 2.66 -0.05 1.67 0.00 -1.02 -3.04 120.51 118.43 1rqt n ALA 12 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1rqt n ALA 12 Cb 0.76 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.74 1.62 -2.08 0.00 0.00 -0.99 -4.96 120.51 113.36 1rqt n ALA 13 Ca 0.22 -0.98 -0.17 0.00 0.00 0.00 0.00 53.44 52.51 1rqt n ALA 13 Cb 0.18 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.64 2.85 0.66 0.00 -1.94 -1.17 -5.10 119.30 111.96 1rqt s MET 14 Ca -0.07 -1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 52.58 1rqt s MET 14 Cb 0.07 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 34.16 1rqt s MET 14 CO 0.83 -0.22 1.05 -1.54 -0.01 0.00 0.00 175.02 175.13 1rqt s SER 15 N -4.32 5.78 0.17 3.03 1.04 -1.26 -4.91 113.70 113.23 1rqt s SER 15 Ca 0.53 1.22 -0.14 0.00 0.48 0.00 0.00 55.95 58.04 1rqt s SER 15 Cb -0.10 -2.14 0.07 0.00 0.10 0.00 0.00 66.02 63.96 1rqt s SER 15 CO 0.33 -1.12 1.83 0.58 0.98 0.00 0.00 173.24 175.83 1rqt h VAL 16 N -0.48 1.11 -0.30 5.02 2.07 -1.98 -1.25 116.25 120.44 1rqt h VAL 16 Ca -0.45 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 66.89 1rqt h VAL 16 Cb 1.23 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1rqt h VAL 16 CO 0.63 0.12 0.02 0.24 0.02 0.00 0.00 177.57 178.60 1rqt h MET 17 N 0.67 0.11 -0.02 1.57 2.86 -1.99 0.35 114.93 118.47 1rqt h MET 17 Ca 0.19 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1rqt h MET 17 Cb -0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1rqt h MET 17 CO -0.06 0.07 -0.15 0.22 1.06 0.00 0.00 176.91 178.06 1rqt h ASP 18 N 0.12 0.03 0.55 1.22 3.58 -1.84 -1.75 116.42 118.33 1rqt h ASP 18 Ca 0.14 -0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.36 1rqt h ASP 18 Cb 0.17 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1rqt h ASP 18 CO -0.22 0.18 -1.00 0.58 -2.88 0.00 0.00 179.24 175.91 1rqt h VAL 19 N 0.03 1.48 -0.37 2.25 2.07 0.09 -2.89 116.25 118.92 1rqt h VAL 19 Ca 0.01 -2.74 0.03 0.00 0.82 0.00 0.00 66.70 64.82 1rqt h VAL 19 Cb 0.28 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1rqt h VAL 19 CO 0.02 0.80 0.17 0.58 0.02 0.00 0.00 177.57 179.16 1rqt h VAL 20 N 0.13 0.96 -0.22 2.57 2.07 0.52 0.17 116.25 122.45 1rqt h VAL 20 Ca -0.07 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1rqt h VAL 20 Cb 1.66 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1rqt h VAL 20 CO 0.16 0.06 0.14 -0.33 0.02 0.00 0.00 177.57 177.62 1rqt h GLU 21 N 0.35 0.30 0.19 1.57 5.08 -1.50 0.17 114.58 120.73 1rqt h GLU 21 Ca 0.16 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1rqt h GLU 21 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1rqt h GLU 21 CO -0.12 0.23 -0.26 1.25 -1.00 0.00 0.00 179.01 179.11 1rqt h LEU 22 N 0.28 -0.74 -1.40 1.33 6.46 -1.19 0.17 115.31 120.21 1rqt h LEU 22 Ca 0.08 0.07 0.22 0.00 -0.12 0.00 0.00 57.88 58.13 1rqt h LEU 22 Cb 0.01 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 1rqt h LEU 22 CO -0.02 -0.32 0.62 0.40 -0.62 0.00 0.00 178.44 178.51 1rqt h ILE 23 N -0.47 0.64 -0.46 4.05 1.08 -0.62 0.33 117.51 122.07 1rqt h ILE 23 Ca -0.02 -0.16 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1rqt h ILE 23 Cb 0.42 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1rqt h ILE 23 CO -0.07 0.08 -0.07 0.28 -0.69 0.00 0.00 178.15 177.68 1rqt h SER 24 N 0.45 0.79 0.87 1.72 0.02 0.26 -0.57 113.55 117.09 1rqt h SER 24 Ca 0.52 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1rqt h SER 24 Cb 1.24 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.57 1rqt h SER 24 CO -0.23 0.90 -0.42 0.00 -1.14 0.00 0.00 176.83 175.93 1rqt h ALA 25 N 1.18 -1.22 -0.98 3.77 0.00 0.26 -2.74 119.26 119.53 1rqt h ALA 25 Ca 0.13 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 54.99 1rqt h ALA 25 Cb 0.55 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1rqt h ALA 25 CO 0.03 -1.13 0.57 0.52 0.00 0.00 0.00 179.25 179.24 1rqt h MET 26 N -1.27 0.64 -0.21 0.00 2.07 -1.30 0.28 114.93 115.14 1rqt h MET 26 Ca -0.12 -0.04 0.06 0.00 -2.07 0.00 0.00 59.70 57.53 1rqt h MET 26 Cb 0.90 -0.14 -0.07 0.00 -1.87 0.00 0.00 31.60 30.42 1rqt h MET 26 CO 0.20 0.42 -0.28 0.93 1.07 0.00 0.00 176.91 179.25 1rqt h GLU 27 N 0.66 -0.30 -0.04 1.72 5.08 -0.92 0.24 114.58 121.03 1rqt h GLU 27 Ca 0.58 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.91 1rqt h GLU 27 Cb 0.98 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1rqt h GLU 27 CO -0.42 -0.20 -0.18 1.49 -1.00 0.00 0.00 179.01 178.70 1rqt h GLU 28 N -0.31 0.19 0.01 2.33 4.81 -0.91 0.89 114.58 121.59 1rqt h GLU 28 Ca 0.12 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1rqt h GLU 28 Cb 0.50 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1rqt h GLU 28 CO -0.39 0.81 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.47 1rqt h LYS 29 N -0.38 -0.02 0.00 1.92 1.63 -0.24 -1.52 116.57 117.96 1rqt h LYS 29 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1rqt h LYS 29 Cb 0.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1rqt h LYS 29 CO 0.04 -0.01 0.00 1.19 -3.45 0.00 0.00 179.45 177.22 1rqt n PHE 30 N -2.46 0.00 -3.96 1.91 3.72 0.81 -4.88 117.46 112.60 1rqt n PHE 30 Ca -0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 1rqt n PHE 30 Cb 0.01 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.51 2.57 1.37 0.00 0.13 -4.87 105.19 104.37 1rqt n GLY 31 Ca 0.17 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.49 2.72 -4.20 1.61 3.14 -0.14 -5.00 118.33 111.96 1rqt n VAL 32 Ca -0.22 -4.70 -0.14 0.00 -2.96 0.00 0.00 64.34 56.32 1rqt n VAL 32 Cb 0.64 -1.25 -0.10 0.00 -1.06 0.00 0.00 33.84 32.07 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 -2.86 1.53 -0.68 6.55 1.04 -1.26 -4.91 113.70 113.11 1rqt s SER 33 Ca 0.49 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 56.04 1rqt s SER 33 Cb 0.41 0.02 0.32 0.00 0.10 0.00 0.00 66.02 66.87 1rqt s SER 33 CO -0.24 -0.32 1.07 0.00 0.98 0.00 0.00 173.24 174.73 1rqt n ALA 34 N 0.16 4.82 -2.68 5.32 0.00 -1.26 -4.80 120.51 122.06 1rqt n ALA 34 Ca -0.13 -4.71 -0.04 0.00 0.00 0.00 0.00 53.44 48.56 1rqt n ALA 34 Cb 0.59 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 0.02 -3.35 -1.36 0.00 0.00 -1.26 -5.10 120.51 109.45 1rqt n ALA 35 Ca 0.33 -0.25 -0.52 0.00 0.00 0.00 0.00 53.44 53.00 1rqt n ALA 35 Cb 0.37 -2.94 -0.13 0.00 0.00 0.00 0.00 19.45 16.75 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 2.28 0.29 -0.58 0.00 0.00 -1.26 -5.15 120.51 116.09 1rqt n ALA 36 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1rqt n ALA 36 Cb 0.65 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50