#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7f n GLY 2 N 0.00 -0.18 2.70 0.23 0.00 -1.26 -4.97 105.19 101.72 1r7f n GLY 2 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1r7f n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r7f n SER 3 N -2.63 3.36 -0.86 1.61 7.64 -1.26 -5.03 113.62 116.45 1r7f n SER 3 Ca -0.22 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1r7f n SER 3 Cb 0.63 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1r7f n SER 3 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1r7f n TRP 4 N -0.09 0.00 -1.00 1.43 4.27 -1.26 -5.00 117.44 115.78 1r7f n TRP 4 Ca 0.29 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.61 1r7f n TRP 4 Cb 0.48 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.40 1r7f n TRP 4 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1r7f n LEU 5 N 0.00 6.71 0.03 5.67 4.32 -1.26 -4.55 117.00 127.91 1r7f n LEU 5 Ca 0.00 -3.57 -0.04 0.00 -0.02 0.00 0.00 56.01 52.38 1r7f n LEU 5 Cb 0.00 -1.31 0.18 0.00 -1.62 0.00 0.00 43.42 40.67 1r7f n LEU 5 CO 0.00 1.31 0.68 -0.09 -1.22 0.00 0.00 177.39 178.07 1r7f h ARG 6 N 5.64 0.44 0.00 3.23 2.43 -1.96 -2.38 114.38 121.78 1r7f h ARG 6 Ca 0.66 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1r7f h ARG 6 Cb 0.24 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1r7f h ARG 6 CO 1.58 0.72 -0.01 0.22 -1.51 0.00 0.00 179.97 180.96 1r7f h ASP 7 N 0.38 0.00 -1.00 -3.80 3.58 -2.01 -3.16 116.42 110.41 1r7f h ASP 7 Ca 0.05 0.00 0.24 0.00 0.42 0.00 0.00 57.03 57.74 1r7f h ASP 7 Cb 0.77 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.73 1r7f h ASP 7 CO 0.06 0.01 0.65 -0.29 -2.88 0.00 0.00 179.24 176.79 1r7f h ILE 8 N 0.00 0.58 0.10 2.25 -0.00 -1.78 0.61 117.51 119.27 1r7f h ILE 8 Ca -0.00 -0.14 -0.25 0.00 -0.00 0.00 0.00 64.86 64.47 1r7f h ILE 8 Cb 0.64 0.14 0.03 0.00 -0.00 0.00 0.00 36.82 37.62 1r7f h ILE 8 CO 0.00 0.07 -1.04 -0.50 -0.00 0.00 0.00 178.15 176.68 1r7f h TRP 9 N 0.40 0.85 -0.16 2.19 6.55 -1.72 -3.11 115.95 120.95 1r7f h TRP 9 Ca 0.55 -0.54 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 1r7f h TRP 9 Cb 1.39 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 29.62 1r7f h TRP 9 CO -0.00 1.39 0.01 0.22 -1.05 0.00 0.00 178.44 179.01 1r7f h ASP 10 N 0.08 0.27 -0.88 -3.49 3.58 -1.11 -1.25 116.42 113.61 1r7f h ASP 10 Ca -0.16 -0.29 0.14 0.00 0.42 0.00 0.00 57.03 57.14 1r7f h ASP 10 Cb 1.75 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 42.66 1r7f h ASP 10 CO 0.20 0.49 0.57 4.11 -2.88 0.00 0.00 179.24 181.73 1r7f h TRP 11 N 0.04 0.82 -0.01 0.28 5.08 0.02 -0.12 115.95 122.06 1r7f h TRP 11 Ca 0.05 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 59.83 1r7f h TRP 11 Cb 0.34 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 26.24 1r7f h TRP 11 CO 0.03 0.31 -0.88 0.82 -1.28 0.00 0.00 178.44 177.44 1r7f h ILE 12 N 0.70 1.44 -0.56 0.12 1.08 -1.43 -3.22 117.51 115.63 1r7f h ILE 12 Ca 0.44 -2.47 0.02 0.00 -0.39 0.00 0.00 64.86 62.46 1r7f h ILE 12 Cb 0.69 2.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.80 1r7f h ILE 12 CO -0.20 0.73 0.36 0.00 -0.69 0.00 0.00 178.15 178.34 1r7f h GLU 14 N 0.71 0.48 -0.05 0.00 4.57 -1.47 -1.78 114.58 117.05 1r7f h GLU 14 Ca 0.22 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1r7f h GLU 14 Cb -0.03 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1r7f h GLU 14 CO -0.07 0.33 -0.43 0.28 -1.18 0.00 0.00 179.01 177.94 1r7f h VAL 15 N 0.49 1.31 -0.51 0.32 2.07 -1.48 -2.92 116.25 115.53 1r7f h VAL 15 Ca 0.13 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 1r7f h VAL 15 Cb -0.04 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1r7f h VAL 15 CO -0.03 0.44 0.02 0.25 0.02 0.00 0.00 177.57 178.28 1r7f h LEU 16 N 0.09 0.81 -0.70 2.57 7.12 0.26 -2.59 115.31 122.86 1r7f h LEU 16 Ca 0.01 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1r7f h LEU 16 Cb 0.80 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 1r7f h LEU 16 CO 0.06 0.86 0.40 0.28 -0.13 0.00 0.00 178.44 179.91 1r7f h SER 17 N 0.79 0.86 -0.94 1.25 0.02 -1.15 -0.28 113.55 114.10 1r7f h SER 17 Ca 0.15 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1r7f h SER 17 Cb 0.44 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1r7f h SER 17 CO 0.02 0.70 0.55 -0.78 -1.14 0.00 0.00 176.83 176.17 1r7f h ASP 18 N 0.96 1.14 -0.06 3.07 3.58 -1.49 -1.76 116.42 121.86 1r7f h ASP 18 Ca 0.25 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 1r7f h ASP 18 Cb 0.01 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 1r7f h ASP 18 CO -0.04 0.89 -0.26 0.15 -2.88 0.00 0.00 179.24 177.10 1r7f h PHE 19 N 1.30 0.55 -0.54 0.28 3.57 -1.01 -2.71 116.94 118.39 1r7f h PHE 19 Ca 0.33 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1r7f h PHE 19 Cb -0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1r7f h PHE 19 CO 0.01 0.71 0.17 -0.22 -2.23 0.00 0.00 178.31 176.75 1r7f h LYS 20 N 0.43 0.83 -0.78 1.11 3.64 -0.24 -0.09 116.57 121.47 1r7f h LYS 20 Ca 0.06 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1r7f h LYS 20 Cb 0.68 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1r7f h LYS 20 CO 0.05 0.76 0.50 1.15 -2.27 0.00 0.00 179.45 179.65 1r7f h THR 21 N 0.74 1.15 -0.41 1.00 2.02 -1.16 0.21 112.91 116.46 1r7f h THR 21 Ca 0.17 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1r7f h THR 21 Cb 0.28 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1r7f h THR 21 CO -0.01 0.18 0.03 -0.25 0.37 0.00 0.00 175.52 175.84 1r7f h TRP 22 N 1.00 0.76 -0.17 3.16 7.01 -1.16 -2.66 115.95 123.89 1r7f h TRP 22 Ca 0.30 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 1r7f h TRP 22 Cb -0.04 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1r7f h TRP 22 CO -0.03 0.76 -0.19 -0.07 -2.79 0.00 0.00 178.44 176.12 1r7f h LEU 23 N 0.54 0.28 -1.13 0.65 3.38 -0.40 -2.51 115.31 116.12 1r7f h LEU 23 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1r7f h LEU 23 Cb 0.44 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1r7f h LEU 23 CO 0.02 0.49 -0.34 0.50 0.09 0.00 0.00 178.44 179.20 1r7f h LYS 24 N 0.27 0.17 -0.31 1.13 3.64 -0.34 0.72 116.57 121.84 1r7f h LYS 24 Ca 0.05 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1r7f h LYS 24 Cb 0.50 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1r7f h LYS 24 CO 0.03 0.49 -0.12 0.00 -2.27 0.00 0.00 179.45 177.59 1r7f h ALA 25 N 1.51 0.43 0.00 5.00 0.00 -1.12 -3.10 119.26 121.99 1r7f h ALA 25 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1r7f h ALA 25 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1r7f h ALA 25 CO 0.05 0.30 -0.75 -0.22 0.00 0.00 0.00 179.25 178.64 1r7f h LYS 26 N 0.39 0.00 -4.46 0.00 3.11 -1.41 -3.50 116.57 110.70 1r7f h LYS 26 Ca 0.07 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1r7f h LYS 26 Cb 0.63 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.76 1r7f h LYS 26 CO 0.04 0.31 -1.19 -0.11 -2.81 0.00 0.00 179.45 175.69 1r7f n LEU 27 N -3.05 -5.17 -0.11 5.20 7.94 0.25 -4.75 117.00 117.31 1r7f n LEU 27 Ca -0.01 1.81 -0.05 0.00 -1.11 0.00 0.00 56.01 56.64 1r7f n LEU 27 Cb 0.71 -2.74 0.01 0.00 0.53 0.00 0.00 43.42 41.94 1r7f n LEU 27 CO 0.40 -3.02 0.82 -0.03 -1.11 0.00 0.00 177.39 174.46 1r7f h MET 28 N 3.12 0.05 -3.18 1.96 4.05 -1.90 -2.85 114.93 116.17 1r7f h MET 28 Ca -0.41 -0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.52 1r7f h MET 28 Cb 0.91 -0.01 0.02 0.00 -0.80 0.00 0.00 31.60 31.72 1r7f h MET 28 CO 0.01 0.03 3.03 -0.35 0.23 0.00 0.00 176.91 179.85 1r7f n PRO 29 N -5.23 2.78 -3.62 0.39 -0.04 -1.26 -4.75 135.00 123.26 1r7f n PRO 29 Ca 0.02 -1.75 -0.12 0.00 -0.04 0.00 0.00 63.50 61.61 1r7f n PRO 29 Cb 0.20 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.01 1r7f n PRO 29 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1r7f s GLN 30 N 2.75 0.67 0.00 0.54 0.74 -1.08 -5.24 119.66 118.04 1r7f s GLN 30 Ca 0.54 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.63 1r7f s GLN 30 Cb 0.14 0.33 0.00 0.00 1.10 0.00 0.00 33.01 34.58 1r7f s GLN 30 CO -0.04 -0.10 0.00 -0.11 -0.55 0.00 0.00 175.29 174.48