#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smz n TRP 2 N 0.00 -2.56 -0.96 1.61 7.02 -1.26 -4.76 117.44 116.53 1smz n TRP 2 Ca 0.00 0.27 -0.32 0.00 -1.02 0.00 0.00 57.50 56.43 1smz n TRP 2 Cb 0.00 -1.72 0.02 0.00 -2.42 0.00 0.00 31.31 27.19 1smz n TRP 2 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1smz n THR 3 N -2.27 0.00 -0.05 -0.99 -2.24 -1.26 -4.91 114.28 102.56 1smz n THR 3 Ca 0.06 -0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.37 1smz n THR 3 Cb 0.51 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 1smz n THR 3 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1smz n LEU 4 N 2.62 0.00 0.06 3.22 7.99 -1.26 -3.67 117.00 125.96 1smz n LEU 4 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.90 1smz n LEU 4 Cb 0.45 0.25 -0.13 0.00 -0.11 0.00 0.00 43.42 43.88 1smz n LEU 4 CO 0.46 0.25 -0.16 0.78 -1.51 0.00 0.00 177.39 177.21 1smz h ASN 5 N 0.00 0.20 0.02 -1.43 2.35 -1.98 -2.15 115.58 112.59 1smz h ASN 5 Ca -0.28 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.14 1smz h ASN 5 Cb 1.56 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.88 1smz h ASN 5 CO 0.02 1.21 -0.31 0.28 -1.65 0.00 0.00 177.43 176.98 1smz h SER 6 N 0.04 0.24 0.00 5.81 0.02 -1.96 -3.12 113.55 114.58 1smz h SER 6 Ca -0.15 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 59.96 1smz h SER 6 Cb 1.93 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.39 1smz h SER 6 CO 0.14 1.05 0.00 0.00 -1.14 0.00 0.00 176.83 176.88 1smz n ALA 7 N -2.57 2.58 -0.09 3.77 0.00 -1.24 -3.47 120.51 119.48 1smz n ALA 7 Ca -0.10 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.25 1smz n ALA 7 Cb 0.55 -1.47 0.45 0.00 0.00 0.00 0.00 19.45 18.99 1smz n ALA 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1smz h GLY 8 N 4.54 0.67 -2.64 0.00 0.00 -1.32 0.12 103.07 104.44 1smz h GLY 8 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 1smz h GLY 8 CO 0.00 0.14 0.09 1.58 0.00 0.00 0.00 176.54 178.36 1smz n TYR 9 N -4.48 1.66 -0.05 5.60 4.11 -1.23 -4.26 117.16 118.51 1smz n TYR 9 Ca 0.09 -1.11 -0.03 0.00 -0.00 0.00 0.00 57.90 56.85 1smz n TYR 9 Cb 0.29 -0.51 -0.12 0.00 -0.00 0.00 0.00 39.34 39.01 1smz n TYR 9 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1smz n LEU 10 N -0.39 0.00 -2.25 -3.48 7.99 0.02 -3.51 117.00 115.38 1smz n LEU 10 Ca 0.32 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 56.02 1smz n LEU 10 Cb 1.14 0.25 0.06 0.00 -0.11 0.00 0.00 43.42 44.76 1smz n LEU 10 CO 0.29 0.25 1.40 0.00 -1.51 0.00 0.00 177.39 177.82 1smz n LEU 11 N -2.38 7.31 0.00 2.23 -0.00 -1.14 -4.18 117.00 118.83 1smz n LEU 11 Ca -0.17 -4.04 0.00 0.00 -0.00 0.00 0.00 56.01 51.80 1smz n LEU 11 Cb 0.80 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1smz n LEU 11 CO 0.31 1.43 0.00 0.61 -0.00 0.00 0.00 177.39 179.74 1smz n GLY 12 N -0.47 0.09 0.21 1.47 0.00 -1.26 -4.74 105.19 100.49 1smz n GLY 12 Ca 0.53 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.58 1smz n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smz h LYS 13 N 0.00 0.00 0.00 1.61 1.79 -1.72 0.18 116.57 118.43 1smz h LYS 13 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1smz h LYS 13 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1smz h LYS 13 CO 0.00 0.00 -1.05 0.44 -1.08 0.00 0.00 179.45 177.76 1smz n ILE 14 N -2.48 1.18 0.11 1.86 -5.35 -1.26 -4.41 119.36 109.01 1smz n ILE 14 Ca -0.02 0.08 0.19 0.00 -0.27 0.00 0.00 62.75 62.73 1smz n ILE 14 Cb 0.05 -1.89 0.64 0.00 -1.74 0.00 0.00 39.64 36.69 1smz n ILE 14 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1smz h ASN 15 N -0.55 0.00 -0.24 7.28 -0.00 -1.81 1.44 115.58 121.70 1smz h ASN 15 Ca -0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.00 1smz h ASN 15 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.17 1smz h ASN 15 CO -0.09 0.00 -0.39 0.25 -0.00 0.00 0.00 177.43 177.20 1smz h LEU 16 N 0.00 0.84 -0.28 0.34 7.12 -0.86 0.45 115.31 122.91 1smz h LEU 16 Ca 0.19 -0.38 -0.09 0.00 0.13 0.00 0.00 57.88 57.73 1smz h LEU 16 Cb 1.42 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.31 1smz h LEU 16 CO -0.00 1.12 -0.17 0.11 -0.13 0.00 0.00 178.44 179.38 1smz h LYS 17 N 0.64 0.61 0.00 1.25 1.79 0.18 -2.55 116.57 118.49 1smz h LYS 17 Ca 0.05 -0.28 -0.04 0.00 -2.18 0.00 0.00 60.65 58.20 1smz h LYS 17 Cb 0.95 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1smz h LYS 17 CO 0.09 0.86 -0.19 0.00 -1.08 0.00 0.00 179.45 179.13 1smz h ALA 18 N 0.73 1.25 0.14 3.86 0.00 -1.26 -2.76 119.26 121.22 1smz h ALA 18 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1smz h ALA 18 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1smz h ALA 18 CO 0.05 0.24 -0.07 1.25 0.00 0.00 0.00 179.25 180.72 1smz h LEU 19 N 0.00 -0.16 -1.61 0.00 5.85 -0.50 0.27 115.31 119.16 1smz h LEU 19 Ca -0.00 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.76 1smz h LEU 19 Cb 0.49 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1smz h LEU 19 CO 0.02 -0.01 0.65 0.00 -0.34 0.00 0.00 178.44 178.76 1smz h ALA 20 N 0.55 2.15 0.08 1.25 0.00 -1.24 1.89 119.26 123.94 1smz h ALA 20 Ca -0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1smz h ALA 20 Cb 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1smz h ALA 20 CO 0.03 -0.88 -1.71 0.00 0.00 0.00 0.00 179.25 176.69 1smz h ALA 21 N 1.12 0.50 0.00 0.00 0.00 -1.27 -2.59 119.26 117.01 1smz h ALA 21 Ca 0.21 -1.31 -0.12 0.00 0.00 0.00 0.00 54.91 53.69 1smz h ALA 21 Cb 1.51 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1smz h ALA 21 CO -0.00 1.35 -0.56 1.37 0.00 0.00 0.00 179.25 181.40 1smz h LEU 22 N 0.04 0.00 0.00 0.00 8.10 0.40 -1.64 115.31 122.22 1smz h LEU 22 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.69 1smz h LEU 22 Cb 2.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.23 1smz h LEU 22 CO 0.11 0.56 -0.54 0.00 -4.11 0.00 0.00 178.44 174.47 1smz h ALA 23 N 1.44 0.67 0.00 0.17 0.00 0.21 -2.55 119.26 119.20 1smz h ALA 23 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1smz h ALA 23 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1smz h ALA 23 CO 0.07 0.00 -1.11 0.87 0.00 0.00 0.00 179.25 179.09 1smz h LYS 24 N 0.00 0.00 0.17 0.00 1.57 -1.23 0.23 116.57 117.31 1smz h LYS 24 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1smz h LYS 24 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1smz h LYS 24 CO 0.00 0.09 -1.79 1.57 -0.57 0.00 0.00 179.45 178.75 1smz h LYS 25 N 0.00 0.36 0.09 3.15 2.10 -1.32 -3.37 116.57 117.59 1smz h LYS 25 Ca -0.05 -0.62 -0.33 0.00 -2.00 0.00 0.00 60.65 57.65 1smz h LYS 25 Cb 1.18 0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.72 1smz h LYS 25 CO 0.01 1.29 -1.80 -0.84 -2.00 0.00 0.00 179.45 176.11 1smz h ILE 26 N 0.10 0.82 0.00 0.07 -0.00 -1.59 -3.51 117.51 113.40 1smz h ILE 26 Ca -0.36 -2.55 0.00 0.00 -0.00 0.00 0.00 64.86 61.95 1smz h ILE 26 Cb 2.09 2.55 0.00 0.00 -0.00 0.00 0.00 36.82 41.46 1smz h ILE 26 CO 0.16 0.76 0.00 -0.11 -0.00 0.00 0.00 178.15 178.97