#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 5.73 -1.95 0.44 5.41 -1.26 -4.87 119.36 122.85 1rqt n ILE 2 Ca 0.00 -5.81 -0.31 0.00 1.00 0.00 0.00 62.75 57.63 1rqt n ILE 2 Cb 0.00 -1.51 0.01 0.00 -0.71 0.00 0.00 39.64 37.42 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 -4.42 4.70 0.20 1.39 -4.23 -1.26 -4.96 115.64 107.06 1rqt s THR 3 Ca 0.41 0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 61.70 1rqt s THR 3 Cb 0.22 -3.86 0.12 0.00 1.34 0.00 0.00 72.50 70.32 1rqt s THR 3 CO -0.16 -1.09 1.74 0.11 -0.54 0.00 0.00 174.62 174.68 1rqt h LYS 4 N -0.18 0.36 -0.46 3.99 6.56 -2.00 -1.45 116.57 123.39 1rqt h LYS 4 Ca -0.44 -0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.15 1rqt h LYS 4 Cb 1.19 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.74 1rqt h LYS 4 CO 0.62 0.24 0.26 -0.44 -2.06 0.00 0.00 179.45 178.07 1rqt h ASP 5 N 0.37 0.41 -0.67 0.86 5.19 -1.99 -0.09 116.42 120.50 1rqt h ASP 5 Ca 0.28 0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.89 1rqt h ASP 5 Cb 0.33 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 1rqt h ASP 5 CO -0.29 0.29 0.54 1.56 -3.12 0.00 0.00 179.24 178.22 1rqt h GLN 6 N 0.52 0.00 0.00 3.56 1.08 -1.61 0.78 115.11 119.45 1rqt h GLN 6 Ca 0.19 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.16 1rqt h GLN 6 Cb 0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1rqt h GLN 6 CO -0.10 0.00 -1.15 0.82 -0.95 0.00 0.00 178.83 177.45 1rqt h ILE 7 N 0.00 1.53 0.08 2.54 2.04 -0.71 -2.98 117.51 120.01 1rqt h ILE 7 Ca 0.32 -3.27 -0.00 0.00 1.00 0.00 0.00 64.86 62.90 1rqt h ILE 7 Cb 1.39 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.23 1rqt h ILE 7 CO -0.00 0.88 -0.04 0.40 0.00 0.00 0.00 178.15 179.38 1rqt h ILE 8 N 0.00 1.06 0.00 -0.67 1.08 0.13 -2.12 117.51 116.99 1rqt h ILE 8 Ca -0.07 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1rqt h ILE 8 Cb 1.82 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.97 1rqt h ILE 8 CO 0.12 0.13 0.00 1.05 -0.69 0.00 0.00 178.15 178.76 1rqt h GLU 9 N -0.34 0.00 0.04 2.37 -0.00 -1.36 -2.17 114.58 113.11 1rqt h GLU 9 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.10 1rqt h GLU 9 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.05 1rqt h GLU 9 CO 0.02 0.00 -1.05 0.00 -0.00 0.00 0.00 179.01 177.98 1rqt h ALA 10 N 2.12 0.23 0.00 1.06 0.00 -1.27 -2.84 119.26 118.56 1rqt h ALA 10 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.08 1rqt h ALA 10 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rqt h ALA 10 CO 0.00 0.79 -0.44 0.28 0.00 0.00 0.00 179.25 179.88 1rqt h VAL 11 N 0.25 0.95 -0.30 0.00 2.07 -0.78 -2.45 116.25 115.98 1rqt h VAL 11 Ca -0.11 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1rqt h VAL 11 Cb 1.70 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1rqt h VAL 11 CO 0.19 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1rqt n ALA 12 N -2.29 2.78 -0.05 1.67 0.00 -0.95 -3.38 120.51 118.29 1rqt n ALA 12 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 1rqt n ALA 12 Cb 0.58 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 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 0.39 1.88 -1.98 0.00 0.00 -0.93 -5.02 120.51 114.84 1rqt n ALA 13 Ca 0.12 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.68 1rqt n ALA 13 Cb 0.48 -0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.41 2.45 0.75 0.00 -1.94 -1.22 -5.09 119.30 111.83 1rqt s MET 14 Ca -0.05 -0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 52.88 1rqt s MET 14 Cb 0.04 -2.51 0.04 0.00 2.01 0.00 0.00 34.83 34.42 1rqt s MET 14 CO 0.49 -0.77 1.10 -1.54 -0.01 0.00 0.00 175.02 174.29 1rqt s SER 15 N -4.47 5.02 0.20 3.03 1.04 -1.26 -4.88 113.70 112.37 1rqt s SER 15 Ca 0.58 1.21 -0.11 0.00 0.48 0.00 0.00 55.95 58.12 1rqt s SER 15 Cb -0.09 -1.98 0.21 0.00 0.10 0.00 0.00 66.02 64.25 1rqt s SER 15 CO 0.39 -1.62 1.80 0.58 0.98 0.00 0.00 173.24 175.36 1rqt h VAL 16 N -0.85 0.97 -0.59 5.02 2.07 -1.98 -1.37 116.25 119.51 1rqt h VAL 16 Ca -0.46 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1rqt h VAL 16 Cb 1.26 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1rqt h VAL 16 CO 0.62 0.11 0.25 0.24 0.02 0.00 0.00 177.57 178.81 1rqt h MET 17 N 0.63 0.44 0.00 1.57 2.86 -1.99 0.30 114.93 118.73 1rqt h MET 17 Ca 0.27 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1rqt h MET 17 Cb 0.17 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1rqt h MET 17 CO -0.17 0.29 -0.14 0.22 1.06 0.00 0.00 176.91 178.17 1rqt h ASP 18 N 0.45 0.00 0.99 1.22 3.58 -1.65 -0.77 116.42 120.25 1rqt h ASP 18 Ca 0.29 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.53 1rqt h ASP 18 Cb 0.31 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1rqt h ASP 18 CO -0.26 0.14 -1.00 0.58 -2.88 0.00 0.00 179.24 175.82 1rqt h VAL 19 N 0.00 1.72 -0.36 2.25 2.07 0.07 -2.74 116.25 119.25 1rqt h VAL 19 Ca -0.00 -3.42 -0.09 0.00 0.82 0.00 0.00 66.70 64.02 1rqt h VAL 19 Cb 0.26 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1rqt h VAL 19 CO 0.02 0.98 -0.11 0.58 0.02 0.00 0.00 177.57 179.05 1rqt h VAL 20 N 0.00 1.28 -0.28 2.57 2.07 0.81 -1.90 116.25 120.80 1rqt h VAL 20 Ca -0.01 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1rqt h VAL 20 Cb 1.77 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1rqt h VAL 20 CO 0.13 0.39 0.16 -0.33 0.02 0.00 0.00 177.57 177.94 1rqt h GLU 21 N 0.51 0.40 0.22 1.57 5.08 -1.25 -0.43 114.58 120.67 1rqt h GLU 21 Ca 0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1rqt h GLU 21 Cb 0.63 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1rqt h GLU 21 CO 0.04 0.35 -0.27 1.25 -1.00 0.00 0.00 179.01 179.38 1rqt h LEU 22 N 0.34 -0.75 -0.69 1.33 6.46 -1.40 0.39 115.31 120.99 1rqt h LEU 22 Ca 0.10 0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.07 1rqt h LEU 22 Cb 0.06 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 40.12 1rqt h LEU 22 CO -0.02 -0.34 -0.11 0.40 -0.62 0.00 0.00 178.44 177.76 1rqt h ILE 23 N -0.50 0.34 -0.72 4.05 1.08 -1.31 0.52 117.51 120.98 1rqt h ILE 23 Ca -0.03 -0.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1rqt h ILE 23 Cb 0.45 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 1rqt h ILE 23 CO -0.06 0.01 0.47 0.28 -0.69 0.00 0.00 178.15 178.16 1rqt h SER 24 N 0.03 0.80 0.09 1.72 0.02 -0.65 -1.13 113.55 114.44 1rqt h SER 24 Ca 0.35 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1rqt h SER 24 Cb 0.56 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1rqt h SER 24 CO -0.67 0.57 -0.05 0.00 -1.14 0.00 0.00 176.83 175.54 1rqt h ALA 25 N 1.56 -0.99 -0.96 3.77 0.00 0.44 -2.28 119.26 120.81 1rqt h ALA 25 Ca 0.27 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.38 1rqt h ALA 25 Cb -0.07 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1rqt h ALA 25 CO -0.06 -0.98 0.63 0.52 0.00 0.00 0.00 179.25 179.36 1rqt h MET 26 N -0.13 0.38 -0.65 0.00 2.07 -1.30 0.32 114.93 115.62 1rqt h MET 26 Ca -0.01 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.66 1rqt h MET 26 Cb 0.10 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 29.68 1rqt h MET 26 CO 0.02 0.25 0.34 0.93 1.07 0.00 0.00 176.91 179.52 1rqt h GLU 27 N 0.40 0.59 0.10 1.72 5.08 -0.96 0.18 114.58 121.69 1rqt h GLU 27 Ca 0.51 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.66 1rqt h GLU 27 Cb 1.30 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.43 1rqt h GLU 27 CO -0.21 0.39 -0.86 1.49 -1.00 0.00 0.00 179.01 178.82 1rqt h GLU 28 N 0.61 0.21 0.06 2.33 4.81 -0.25 -2.04 114.58 120.32 1rqt h GLU 28 Ca 0.30 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1rqt h GLU 28 Cb 0.24 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1rqt h GLU 28 CO -0.21 1.17 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.89 1rqt h LYS 29 N -0.51 -0.20 0.00 1.92 1.63 -0.28 -1.36 116.57 117.76 1rqt h LYS 29 Ca -0.17 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1rqt h LYS 29 Cb 1.54 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1rqt h LYS 29 CO 0.07 -0.14 0.00 1.19 -3.45 0.00 0.00 179.45 177.13 1rqt n PHE 30 N -3.15 0.00 -4.35 1.91 3.01 0.62 -4.86 117.46 110.64 1rqt n PHE 30 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.07 1rqt n PHE 30 Cb 0.11 -0.29 -0.06 0.00 -0.01 0.00 0.00 39.48 39.22 1rqt n PHE 30 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqt n GLY 31 N 0.43 -0.33 2.39 1.37 0.00 -0.52 -4.87 105.19 103.66 1rqt n GLY 31 Ca 0.09 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.30 0.22 -3.59 1.61 0.31 -1.09 -5.01 118.33 106.49 1rqt n VAL 32 Ca -0.04 -4.27 -0.34 0.00 -0.01 0.00 0.00 64.34 59.68 1rqt n VAL 32 Cb 0.54 -1.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 1rqt n VAL 32 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1rqt n SER 33 N 1.69 4.15 -2.72 4.52 3.41 -1.26 -4.68 113.62 118.73 1rqt n SER 33 Ca 0.25 -3.23 -0.02 0.00 -0.26 0.00 0.00 58.87 55.61 1rqt n SER 33 Cb 0.47 -0.96 0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1rqt n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqt s ALA 34 N -1.73 -4.26 -0.70 7.33 0.00 -1.26 -5.01 121.76 116.12 1rqt s ALA 34 Ca 0.30 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 1rqt s ALA 34 Cb -0.02 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.15 1rqt s ALA 34 CO -0.09 -2.49 0.63 0.00 0.00 0.00 0.00 175.76 173.80 1rqt n ALA 35 N 2.97 -2.64 -1.33 0.00 0.00 -1.26 -4.74 120.51 113.51 1rqt n ALA 35 Ca 0.10 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 1rqt n ALA 35 Cb 0.64 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.79 -2.53 -0.56 0.00 0.00 -1.26 -5.22 120.51 109.14 1rqt n ALA 36 Ca -0.23 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1rqt n ALA 36 Cb 0.68 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50