#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfa h THR 2 N 0.00 1.21 -0.23 2.12 2.02 -2.05 -0.37 112.91 115.61 1wfa h THR 2 Ca 0.00 -0.77 -0.17 0.00 0.77 0.00 0.00 66.41 66.24 1wfa h THR 2 Cb 0.00 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1wfa h THR 2 CO 0.00 0.28 -0.54 0.00 0.37 0.00 0.00 175.52 175.63 1wfa h ALA 3 N 1.42 0.62 -0.70 6.16 0.00 -2.05 -0.52 119.26 124.19 1wfa h ALA 3 Ca 0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1wfa h ALA 3 Cb 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1wfa h ALA 3 CO 0.00 0.68 0.35 0.77 0.00 0.00 0.00 179.25 181.05 1wfa h SER 4 N 0.53 0.91 -0.18 0.00 0.02 -1.91 -0.01 113.55 112.91 1wfa h SER 4 Ca 0.01 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1wfa h SER 4 Cb 1.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1wfa h SER 4 CO 0.11 0.78 0.06 0.44 -1.14 0.00 0.00 176.83 177.08 1wfa h ASP 5 N 0.98 0.26 -0.18 3.07 3.32 -0.94 -0.93 116.42 121.99 1wfa h ASP 5 Ca 0.24 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1wfa h ASP 5 Cb 0.10 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1wfa h ASP 5 CO -0.03 0.38 -0.04 0.00 -1.72 0.00 0.00 179.24 177.82 1wfa h ALA 6 N 0.89 1.36 -0.42 3.45 0.00 -0.94 -0.65 119.26 122.94 1wfa h ALA 6 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1wfa h ALA 6 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wfa h ALA 6 CO -0.00 0.44 -0.18 0.00 0.00 0.00 0.00 179.25 179.51 1wfa h ALA 7 N 1.50 0.59 -0.72 0.00 0.00 -0.73 -0.29 119.26 119.61 1wfa h ALA 7 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1wfa h ALA 7 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1wfa h ALA 7 CO 0.02 0.54 0.19 0.00 0.00 0.00 0.00 179.25 180.00 1wfa h ALA 8 N 0.83 0.94 -0.37 0.00 0.00 -0.92 0.16 119.26 119.90 1wfa h ALA 8 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1wfa h ALA 8 Cb 0.74 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1wfa h ALA 8 CO 0.06 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.86 1wfa h ALA 9 N 1.10 1.14 -0.26 0.00 0.00 -0.84 -1.17 119.26 119.23 1wfa h ALA 9 Ca 0.23 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wfa h ALA 9 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wfa h ALA 9 CO -0.00 0.54 -0.35 0.00 0.00 0.00 0.00 179.25 179.44 1wfa h ALA 10 N 1.31 0.90 -0.20 0.00 0.00 -0.63 -0.80 119.26 119.85 1wfa h ALA 10 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1wfa h ALA 10 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wfa h ALA 10 CO 0.03 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.94 1wfa h ALA 11 N 1.13 0.26 -0.64 0.00 0.00 -0.39 -1.48 119.26 118.14 1wfa h ALA 11 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1wfa h ALA 11 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1wfa h ALA 11 CO 0.07 -0.07 0.22 -0.07 0.00 0.00 0.00 179.25 179.41 1wfa h LEU 12 N 0.12 0.88 -0.37 0.00 3.38 -1.08 -1.74 115.31 116.50 1wfa h LEU 12 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1wfa h LEU 12 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wfa h LEU 12 CO 0.00 0.81 0.14 0.74 0.09 0.00 0.00 178.44 180.22 1wfa h THR 13 N 0.93 1.20 0.09 0.22 2.02 -0.73 -1.40 112.91 115.24 1wfa h THR 13 Ca 0.21 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1wfa h THR 13 Cb 0.23 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1wfa h THR 13 CO -0.01 0.22 -0.04 0.00 0.37 0.00 0.00 175.52 176.05 1wfa h ALA 14 N 0.98 -0.12 -0.92 6.16 0.00 -1.20 0.54 119.26 124.70 1wfa h ALA 14 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1wfa h ALA 14 Cb 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1wfa h ALA 14 CO -0.01 -0.48 0.60 0.00 0.00 0.00 0.00 179.25 179.37 1wfa h ALA 15 N 0.59 1.42 -0.03 0.00 0.00 -1.29 -1.27 119.26 118.68 1wfa h ALA 15 Ca -0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1wfa h ALA 15 Cb 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wfa h ALA 15 CO 0.02 0.49 -0.87 -0.91 0.00 0.00 0.00 179.25 177.98 1wfa h ASN 16 N 1.15 0.51 -0.60 0.00 2.35 -1.14 -1.55 115.58 116.29 1wfa h ASN 16 Ca 0.37 -0.39 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1wfa h ASN 16 Cb 0.02 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1wfa h ASN 16 CO -0.11 1.17 0.02 0.00 -1.65 0.00 0.00 177.43 176.85 1wfa h ALA 17 N 0.81 0.87 -0.25 -0.83 0.00 -0.46 0.36 119.26 119.76 1wfa h ALA 17 Ca -0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1wfa h ALA 17 Cb 1.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1wfa h ALA 17 CO 0.15 0.67 -0.04 0.87 0.00 0.00 0.00 179.25 180.89 1wfa h LYS 18 N 0.97 0.47 -0.85 0.00 1.57 -1.21 -1.45 116.57 116.07 1wfa h LYS 18 Ca 0.18 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1wfa h LYS 18 Cb 0.53 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1wfa h LYS 18 CO 0.03 0.68 0.49 0.00 -0.57 0.00 0.00 179.45 180.07 1wfa h ALA 19 N 0.78 1.26 -0.61 3.86 0.00 -1.08 -1.53 119.26 121.93 1wfa h ALA 19 Ca 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1wfa h ALA 19 Cb 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wfa h ALA 19 CO 0.02 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.95 1wfa h ALA 20 N 1.35 0.95 -0.05 0.00 0.00 -0.42 -0.40 119.26 120.69 1wfa h ALA 20 Ca 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wfa h ALA 20 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1wfa h ALA 20 CO -0.05 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1wfa h ALA 21 N 1.10 0.06 0.22 0.00 0.00 -0.86 -2.33 119.26 117.46 1wfa h ALA 21 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wfa h ALA 21 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wfa h ALA 21 CO 0.02 -0.42 -0.23 0.93 0.00 0.00 0.00 179.25 179.54 1wfa h GLU 22 N 0.03 -0.48 -0.01 0.00 5.08 -0.97 -2.38 114.58 115.86 1wfa h GLU 22 Ca 0.02 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1wfa h GLU 22 Cb 0.04 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1wfa h GLU 22 CO -0.00 -0.32 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.18 1wfa h LEU 23 N -0.49 0.02 -0.36 1.33 3.38 -1.13 -1.19 115.31 116.87 1wfa h LEU 23 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1wfa h LEU 23 Cb 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1wfa h LEU 23 CO -0.06 0.45 0.05 0.74 0.09 0.00 0.00 178.44 179.71 1wfa h THR 24 N 0.01 1.24 -0.39 0.22 2.02 -1.21 -0.67 112.91 114.14 1wfa h THR 24 Ca -0.00 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1wfa h THR 24 Cb 0.78 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1wfa h THR 24 CO 0.06 0.29 0.05 0.00 0.37 0.00 0.00 175.52 176.29 1wfa h ALA 25 N 0.90 0.52 -0.26 6.16 0.00 -1.12 -1.32 119.26 124.14 1wfa h ALA 25 Ca 0.11 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1wfa h ALA 25 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1wfa h ALA 25 CO 0.01 0.24 0.08 0.00 0.00 0.00 0.00 179.25 179.59 1wfa h ALA 26 N 0.91 0.29 -0.26 0.00 0.00 -1.14 -1.02 119.26 118.03 1wfa h ALA 26 Ca 0.12 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1wfa h ALA 26 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wfa h ALA 26 CO 0.01 -0.33 0.12 -0.91 0.00 0.00 0.00 179.25 178.14 1wfa h ASN 27 N 0.20 0.17 -0.78 0.00 2.35 -0.93 0.78 115.58 117.37 1wfa h ASN 27 Ca 0.11 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1wfa h ASN 27 Cb 0.08 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1wfa h ASN 27 CO -0.12 0.13 0.33 0.00 -1.65 0.00 0.00 177.43 176.12 1wfa h ALA 28 N 1.14 1.01 -0.46 -0.83 0.00 -1.05 0.70 119.26 119.77 1wfa h ALA 28 Ca 0.11 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1wfa h ALA 28 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1wfa h ALA 28 CO -0.09 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 1wfa h ALA 29 N 1.17 0.65 -0.48 0.00 0.00 -0.65 -1.42 119.26 118.53 1wfa h ALA 29 Ca 0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1wfa h ALA 29 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wfa h ALA 29 CO -0.02 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.85 1wfa h ALA 30 N 0.86 0.64 -0.37 0.00 0.00 -0.61 -2.02 119.26 117.75 1wfa h ALA 30 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1wfa h ALA 30 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wfa h ALA 30 CO 0.06 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1wfa h ALA 31 N 0.93 0.50 -0.58 0.00 0.00 -0.67 -1.90 119.26 117.55 1wfa h ALA 31 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wfa h ALA 31 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1wfa h ALA 31 CO 0.02 0.27 0.35 0.00 0.00 0.00 0.00 179.25 179.90 1wfa h ALA 32 N 0.87 0.73 -0.16 0.00 0.00 -1.21 -1.43 119.26 118.07 1wfa h ALA 32 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wfa h ALA 32 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wfa h ALA 32 CO 0.02 0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.55 1wfa h ALA 33 N 1.18 0.20 -0.65 0.00 0.00 -1.29 -2.68 119.26 116.02 1wfa h ALA 33 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wfa h ALA 33 Cb -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1wfa h ALA 33 CO -0.04 -0.25 0.35 0.00 0.00 0.00 0.00 179.25 179.31 1wfa h ALA 34 N 0.96 0.83 -0.95 0.00 0.00 -1.28 -2.98 119.26 115.85 1wfa h ALA 34 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1wfa h ALA 34 Cb 0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 1wfa h ALA 34 CO -0.01 0.35 0.61 1.15 0.00 0.00 0.00 179.25 181.35 1wfa h THR 35 N 0.88 1.01 0.00 0.00 2.02 -1.11 -2.41 112.91 113.30 1wfa h THR 35 Ca 0.23 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1wfa h THR 35 Cb 0.05 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1wfa h THR 35 CO -0.04 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.04 1wfa h ALA 36 N 1.52 1.00 -0.03 6.16 0.00 -1.31 -3.52 119.26 123.08 1wfa h ALA 36 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1wfa h ALA 36 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wfa h ALA 36 CO -0.19 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.60