#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abz h TRP 2 N 0.00 0.00 -0.48 2.11 5.08 -2.04 -0.56 115.95 120.06 1abz h TRP 2 Ca 0.00 0.00 0.06 0.00 1.08 0.00 0.00 58.89 60.03 1abz h TRP 2 Cb 0.00 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.11 1abz h TRP 2 CO 0.00 0.00 0.17 -0.07 -1.28 0.00 0.00 178.44 177.26 1abz h LEU 3 N 0.00 0.18 -1.30 0.11 -0.00 -2.00 -0.28 115.31 112.02 1abz h LEU 3 Ca 0.12 0.06 0.32 0.00 -0.00 0.00 0.00 57.88 58.38 1abz h LEU 3 Cb 0.97 0.04 -0.11 0.00 -0.00 0.00 0.00 40.66 41.56 1abz h LEU 3 CO -0.00 0.13 0.70 0.11 -0.00 0.00 0.00 178.44 179.39 1abz h LYS 4 N 0.35 0.29 -0.01 1.13 6.56 -1.52 1.26 116.57 124.63 1abz h LYS 4 Ca 0.23 -0.02 -0.24 0.00 -1.06 0.00 0.00 60.65 59.56 1abz h LYS 4 Cb 0.23 -0.07 0.02 0.00 -0.57 0.00 0.00 32.23 31.85 1abz h LYS 4 CO -0.23 0.19 -0.93 0.00 -2.06 0.00 0.00 179.45 176.42 1abz h ALA 5 N 1.66 0.13 -0.22 3.86 0.00 -1.22 -3.12 119.26 120.35 1abz h ALA 5 Ca 0.69 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1abz h ALA 5 Cb 1.83 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1abz h ALA 5 CO -0.39 0.61 0.00 2.89 0.00 0.00 0.00 179.25 182.37 1abz n ARG 6 N -3.94 1.62 -0.07 0.00 -4.01 0.13 -4.12 116.66 106.27 1abz n ARG 6 Ca -0.11 -0.95 -0.07 0.00 -1.04 0.00 0.00 57.85 55.69 1abz n ARG 6 Cb 0.83 -1.28 -0.03 0.00 -3.04 0.00 0.00 32.46 28.94 1abz n ARG 6 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1abz h VAL 7 N 1.68 0.15 -0.37 8.89 2.07 0.14 -3.20 116.25 125.61 1abz h VAL 7 Ca 0.00 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.41 1abz h VAL 7 Cb 0.38 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1abz h VAL 7 CO 0.00 0.05 -0.10 -0.08 0.02 0.00 0.00 177.57 177.46 1abz h GLU 8 N -1.00 -0.01 -0.12 1.57 4.81 -1.72 0.20 114.58 118.31 1abz h GLU 8 Ca -0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1abz h GLU 8 Cb 0.59 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1abz h GLU 8 CO -0.03 -0.00 0.09 0.37 -0.73 0.00 0.00 179.01 178.71 1abz h GLN 9 N -0.01 0.00 0.32 1.92 4.15 -1.76 -0.51 115.11 119.23 1abz h GLN 9 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1abz h GLN 9 Cb 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1abz h GLN 9 CO -0.38 0.00 -0.16 1.49 -1.93 0.00 0.00 178.83 177.85 1abz h GLU 10 N 0.00 -0.42 -0.87 1.69 4.22 -0.63 -3.15 114.58 115.43 1abz h GLU 10 Ca 0.06 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1abz h GLU 10 Cb 0.25 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1abz h GLU 10 CO -0.00 -0.09 0.00 1.28 -2.18 0.00 0.00 179.01 178.02 1abz n LEU 11 N -5.09 2.38 0.02 1.64 4.77 -0.76 -4.04 117.00 115.92 1abz n LEU 11 Ca -0.09 -1.20 -0.19 0.00 -0.03 0.00 0.00 56.01 54.50 1abz n LEU 11 Cb 0.26 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1abz n LEU 11 CO 0.25 0.36 0.17 0.06 -1.33 0.00 0.00 177.39 176.90 1abz h GLN 12 N 1.17 0.56 0.00 3.23 3.07 -1.05 -3.11 115.11 118.99 1abz h GLN 12 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 58.65 58.14 1abz h GLN 12 Cb 0.93 0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1abz h GLN 12 CO 0.14 1.22 0.00 0.00 0.09 0.00 0.00 178.83 180.28 1abz n ALA 13 N -2.62 2.24 -0.04 0.06 0.00 -1.26 -3.37 120.51 115.53 1abz n ALA 13 Ca -0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 1abz n ALA 13 Cb 0.78 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1abz n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1abz h LEU 14 N 0.00 0.42 -0.93 0.00 6.46 -1.76 -3.04 115.31 116.47 1abz h LEU 14 Ca 0.00 -0.59 -0.03 0.00 -0.12 0.00 0.00 57.88 57.14 1abz h LEU 14 Cb 0.49 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1abz h LEU 14 CO 0.00 0.94 -0.14 1.05 -0.62 0.00 0.00 178.44 179.66 1abz h GLU 15 N -0.07 0.00 -0.03 1.25 -0.00 -1.59 -2.91 114.58 111.22 1abz h GLU 15 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.26 1abz h GLU 15 Cb 0.89 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 1abz h GLU 15 CO 0.06 0.14 -0.42 0.00 -0.00 0.00 0.00 179.01 178.79 1abz h ALA 16 N 1.86 1.24 -2.10 1.06 0.00 -1.54 -3.24 119.26 116.54 1abz h ALA 16 Ca -0.00 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.94 1abz h ALA 16 Cb 0.78 -0.08 -0.42 0.00 0.00 0.00 0.00 17.79 18.07 1abz h ALA 16 CO 0.02 0.55 -0.71 -2.13 0.00 0.00 0.00 179.25 176.98 1abz n ARG 17 N -4.03 3.09 -4.13 0.00 0.63 -1.10 -5.02 116.66 106.10 1abz n ARG 17 Ca -0.02 -4.67 -0.24 0.00 -0.92 0.00 0.00 57.85 52.01 1abz n ARG 17 Cb 0.46 -2.19 -0.17 0.00 0.45 0.00 0.00 32.46 31.01 1abz n ARG 17 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1abz s GLY 18 N -3.41 0.66 -0.08 5.14 0.00 -1.21 -4.98 107.32 103.44 1abz s GLY 18 Ca 0.48 -0.32 0.10 0.00 0.00 0.00 0.00 44.72 44.99 1abz s GLY 18 CO -0.14 0.58 1.27 -0.37 0.00 0.00 0.00 173.10 174.45 1abz n THR 19 N 4.45 1.18 -3.26 0.90 5.66 -1.26 -4.50 114.28 117.44 1abz n THR 19 Ca -0.18 -0.72 -0.21 0.00 -3.05 0.00 0.00 64.05 59.89 1abz n THR 19 Cb 0.51 -0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 69.13 1abz n THR 19 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1abz s ASP 20 N -0.69 0.89 0.00 1.09 2.15 -1.26 -5.11 116.67 113.74 1abz s ASP 20 Ca 0.31 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.72 1abz s ASP 20 Cb 0.21 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1abz s ASP 20 CO 0.14 -0.16 0.00 -0.24 -0.17 0.00 0.00 175.17 174.73 1abz n SER 21 N 3.10 0.23 -0.99 -0.34 2.88 -1.26 -4.87 113.62 112.37 1abz n SER 21 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1abz n SER 21 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1abz n SER 21 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1abz n ASN 22 N 0.00 -5.71 0.02 -3.46 2.85 -1.26 -4.53 115.26 103.17 1abz n ASN 22 Ca 0.00 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1abz n ASN 22 Cb 0.00 -4.34 0.00 0.00 1.24 0.00 0.00 39.78 36.68 1abz n ASN 22 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1abz n ALA 23 N 1.24 2.25 1.51 5.20 0.00 -1.26 -4.84 120.51 124.60 1abz n ALA 23 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.46 1abz n ALA 23 Cb 0.62 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.83 1abz n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1abz n GLU 24 N -2.59 0.54 -0.40 0.00 1.02 -1.26 -3.84 120.64 114.11 1abz n GLU 24 Ca 0.00 -0.03 0.33 0.00 -0.02 0.00 0.00 57.16 57.44 1abz n GLU 24 Cb 0.00 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 30.55 1abz n GLU 24 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1abz h LEU 25 N 0.07 0.25 -0.04 -4.62 3.38 -1.91 0.34 115.31 112.79 1abz h LEU 25 Ca 0.00 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1abz h LEU 25 Cb 0.25 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1abz h LEU 25 CO 0.00 -0.04 -0.34 0.03 0.09 0.00 0.00 178.44 178.18 1abz h ARG 26 N 0.18 0.30 0.00 1.13 2.47 -1.98 -2.99 114.38 113.49 1abz h ARG 26 Ca 0.70 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1abz h ARG 26 Cb 2.21 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 30.60 1abz h ARG 26 CO -0.27 0.94 0.00 0.00 0.56 0.00 0.00 179.97 181.20 1abz n ALA 27 N -2.53 1.09 -0.30 0.04 0.00 0.11 -1.80 120.51 117.12 1abz n ALA 27 Ca -0.09 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1abz n ALA 27 Cb 0.53 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.76 1abz n ALA 27 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1abz h MET 28 N 0.00 1.20 -0.86 0.00 1.85 -1.06 -2.29 114.93 113.77 1abz h MET 28 Ca 0.00 -0.20 0.02 0.00 -0.61 0.00 0.00 59.70 58.91 1abz h MET 28 Cb 0.03 -0.20 -0.05 0.00 0.43 0.00 0.00 31.60 31.81 1abz h MET 28 CO 0.00 0.95 0.57 0.93 -0.40 0.00 0.00 176.91 178.96 1abz h GLU 29 N 1.17 1.10 0.85 0.39 4.39 -1.51 0.58 114.58 121.55 1abz h GLU 29 Ca 0.28 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 1abz h GLU 29 Cb 0.17 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1abz h GLU 29 CO -0.03 0.73 -0.41 0.00 -1.16 0.00 0.00 179.01 178.14 1abz h ALA 30 N 1.48 -1.29 0.00 3.43 0.00 -1.55 -2.35 119.26 118.98 1abz h ALA 30 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1abz h ALA 30 Cb -0.07 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1abz h ALA 30 CO -0.08 -1.20 0.00 0.87 0.00 0.00 0.00 179.25 178.84 1abz h LYS 31 N -1.16 0.00 0.04 0.00 1.57 -1.37 -3.17 116.57 112.47 1abz h LYS 31 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1abz h LYS 31 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1abz h LYS 31 CO 0.19 0.00 -0.15 1.25 -0.57 0.00 0.00 179.45 180.17 1abz h LEU 32 N 0.00 -0.45 -1.99 2.94 6.46 -0.31 0.20 115.31 122.16 1abz h LEU 32 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1abz h LEU 32 Cb 0.13 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1abz h LEU 32 CO 0.00 -0.16 0.19 0.50 -0.62 0.00 0.00 178.44 178.35 1abz h LYS 33 N -0.21 0.00 -0.13 1.25 3.64 -1.60 0.28 116.57 119.80 1abz h LYS 33 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1abz h LYS 33 Cb 0.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1abz h LYS 33 CO -0.08 0.00 -0.80 0.00 -2.27 0.00 0.00 179.45 176.30 1abz h ALA 34 N 1.59 0.34 0.09 5.00 0.00 -0.75 -2.10 119.26 123.43 1abz h ALA 34 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1abz h ALA 34 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1abz h ALA 34 CO 0.00 0.70 -0.04 0.93 0.00 0.00 0.00 179.25 180.84 1abz h GLU 35 N 0.48 -0.12 -0.51 0.00 5.08 0.50 -3.09 114.58 116.92 1abz h GLU 35 Ca -0.06 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1abz h GLU 35 Cb 1.42 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1abz h GLU 35 CO 0.16 0.39 0.34 -0.84 -1.00 0.00 0.00 179.01 178.06 1abz h ILE 36 N -0.74 0.93 0.47 3.13 3.07 -1.59 -2.35 117.51 120.44 1abz h ILE 36 Ca -0.01 -0.13 -0.01 0.00 1.55 0.00 0.00 64.86 66.26 1abz h ILE 36 Cb 0.57 0.53 -0.01 0.00 -0.27 0.00 0.00 36.82 37.64 1abz h ILE 36 CO 0.02 0.07 -0.34 -0.61 -1.05 0.00 0.00 178.15 176.24 1abz h GLN 37 N 0.37 -0.76 0.00 0.16 4.15 -1.34 -3.51 115.11 114.18 1abz h GLN 37 Ca 0.23 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1abz h GLN 37 Cb 0.41 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1abz h GLN 37 CO -0.06 -0.51 0.00 1.63 -1.93 0.00 0.00 178.83 177.97