#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0b s SER 2 N 0.00 6.85 0.49 1.61 0.01 -1.26 -5.03 113.70 116.36 2k0b s SER 2 Ca 0.00 0.90 -0.19 0.00 1.31 0.00 0.00 55.95 57.97 2k0b s SER 2 Cb 0.00 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 2k0b s SER 2 CO 0.00 -0.89 0.99 -2.84 0.41 0.00 0.00 173.24 170.91 2k0b s PRO 3 N 3.65 3.93 0.00 12.44 0.02 -1.26 -4.93 135.00 148.84 2k0b s PRO 3 Ca 0.44 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2k0b s PRO 3 Cb -0.12 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2k0b s PRO 3 CO 0.17 -0.29 1.42 -0.35 -0.33 0.00 0.00 177.00 177.61 2k0b n PRO 4 N -1.18 0.78 -0.26 5.54 -0.04 -1.26 -2.30 135.00 136.28 2k0b n PRO 4 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2k0b n PRO 4 Cb 0.54 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2k0b n PRO 4 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k0b n GLU 5 N 1.42 0.00 -0.67 0.54 0.28 -1.26 -4.87 120.64 116.09 2k0b n GLU 5 Ca 0.00 -0.25 -0.03 0.00 -0.16 0.00 0.00 57.16 56.72 2k0b n GLU 5 Cb 0.39 -0.16 -0.03 0.00 1.43 0.00 0.00 31.44 33.07 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k0b n ALA 6 N 0.00 2.34 -1.80 -1.84 0.00 -0.97 -4.70 120.51 113.55 2k0b n ALA 6 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 2k0b n ALA 6 Cb 0.53 -0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2k0b n ALA 6 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0b s ASP 7 N -0.41 6.96 0.63 0.00 -1.08 -1.15 -4.58 116.67 117.04 2k0b s ASP 7 Ca 0.00 1.84 0.21 0.00 -0.52 0.00 0.00 52.55 54.08 2k0b s ASP 7 Cb 0.00 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 39.83 2k0b s ASP 7 CO 0.00 -0.34 1.46 -0.65 0.52 0.00 0.00 175.17 176.16 2k0b h PRO 8 N 2.41 0.00 0.03 4.34 0.11 -1.97 1.14 132.00 138.06 2k0b h PRO 8 Ca -0.48 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.29 2k0b h PRO 8 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2k0b h PRO 8 CO 0.62 0.00 -2.01 0.54 -0.21 0.00 0.00 178.00 176.95 2k0b n ARG 9 N -3.10 0.68 0.01 1.05 1.74 -1.26 -3.96 116.66 111.83 2k0b n ARG 9 Ca 0.10 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.50 2k0b n ARG 9 Cb 1.01 -1.69 -0.12 0.00 -1.02 0.00 0.00 32.46 30.64 2k0b n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k0b n LEU 10 N -3.14 0.25 0.00 0.55 4.77 0.11 -1.35 117.00 118.19 2k0b n LEU 10 Ca -0.27 0.03 0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2k0b n LEU 10 Cb 1.06 -0.02 0.48 0.00 -2.33 0.00 0.00 43.42 42.62 2k0b n LEU 10 CO 0.42 -0.02 0.86 0.00 -1.33 0.00 0.00 177.39 177.32 2k0b n ILE 11 N -2.27 0.44 -0.09 -0.08 0.00 0.35 0.45 119.36 118.16 2k0b n ILE 11 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 62.75 62.73 2k0b n ILE 11 Cb 0.54 -0.72 -0.04 0.00 0.00 0.00 0.00 39.64 39.42 2k0b n ILE 11 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2k0b n GLU 12 N -1.49 0.52 -0.02 9.51 2.13 -1.22 -4.56 120.64 125.50 2k0b n GLU 12 Ca 0.06 0.33 0.01 0.00 0.66 0.00 0.00 57.16 58.22 2k0b n GLU 12 Cb 0.26 -1.54 -0.13 0.00 0.27 0.00 0.00 31.44 30.31 2k0b n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k0b n SER 13 N -4.48 0.32 -0.09 4.31 2.88 -0.46 -3.92 113.62 112.18 2k0b n SER 13 Ca -0.18 0.14 -0.22 0.00 -1.33 0.00 0.00 58.87 57.28 2k0b n SER 13 Cb 0.49 1.03 -0.12 0.00 -0.75 0.00 0.00 64.21 64.86 2k0b n SER 13 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2k0b n LEU 14 N -2.63 2.48 0.00 2.46 0.00 0.10 -4.17 117.00 115.24 2k0b n LEU 14 Ca -0.15 0.15 0.10 0.00 0.00 0.00 0.00 56.01 56.12 2k0b n LEU 14 Cb 0.84 -0.96 0.47 0.00 0.00 0.00 0.00 43.42 43.77 2k0b n LEU 14 CO 0.44 0.73 0.84 -1.54 0.00 0.00 0.00 177.39 177.86 2k0b n SER 15 N -3.73 0.00 0.40 1.96 3.41 0.17 -2.16 113.62 113.67 2k0b n SER 15 Ca -0.42 0.47 -0.19 0.00 -0.26 0.00 0.00 58.87 58.48 2k0b n SER 15 Cb 0.93 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 2k0b n SER 15 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2k0b h GLN 16 N 0.00 -1.09 0.00 4.33 -0.00 -1.73 0.35 115.11 116.98 2k0b h GLN 16 Ca 0.00 0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 58.59 2k0b h GLN 16 Cb 0.36 0.25 -0.02 0.00 0.00 0.00 0.00 27.48 28.07 2k0b h GLN 16 CO 0.00 -0.73 -0.63 0.00 0.00 0.00 0.00 178.83 177.48 2k0b h MET 17 N -1.13 0.00 -0.09 1.69 -0.00 -1.77 -1.67 114.93 111.96 2k0b h MET 17 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 2k0b h MET 17 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.51 2k0b h MET 17 CO 0.08 0.63 -0.03 1.25 -0.00 0.00 0.00 176.91 178.83 2k0b h LEU 18 N 0.00 0.11 0.01 -0.10 5.85 -1.19 0.19 115.31 120.18 2k0b h LEU 18 Ca -0.01 -0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.34 2k0b h LEU 18 Cb 1.17 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2k0b h LEU 18 CO 0.08 0.17 -2.27 -0.24 -0.34 0.00 0.00 178.44 175.84 2k0b n SER 19 N -4.42 0.98 0.06 1.25 2.88 0.09 -4.37 113.62 110.09 2k0b n SER 19 Ca -0.02 0.04 0.13 0.00 -1.33 0.00 0.00 58.87 57.70 2k0b n SER 19 Cb 0.16 0.20 0.49 0.00 -0.75 0.00 0.00 64.21 64.30 2k0b n SER 19 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2k0b n MET 20 N -3.03 0.16 -0.28 -1.46 2.81 -0.64 -4.92 117.12 109.75 2k0b n MET 20 Ca -0.34 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 2k0b n MET 20 Cb 1.08 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 2k0b n MET 20 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k0b n GLY 21 N 1.33 0.89 3.31 3.03 0.00 -0.59 -5.05 105.19 108.11 2k0b n GLY 21 Ca 0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2k0b n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k0b s PHE 22 N -1.93 1.53 0.27 1.61 0.40 0.55 -5.05 117.98 115.35 2k0b s PHE 22 Ca 0.00 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.69 2k0b s PHE 22 Cb 0.00 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 2k0b s PHE 22 CO 0.00 0.19 0.22 0.43 0.70 0.00 0.00 175.22 176.76 2k0b n SER 23 N -0.33 -0.53 -4.64 1.36 7.64 -1.26 -4.00 113.62 111.86 2k0b n SER 23 Ca -0.08 -2.76 -0.43 0.00 1.01 0.00 0.00 58.87 56.61 2k0b n SER 23 Cb 0.61 1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 65.12 2k0b n SER 23 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k0b s ASP 24 N -2.88 6.78 -1.41 6.43 -4.77 -1.26 -4.50 116.67 115.06 2k0b s ASP 24 Ca 0.32 1.19 -0.07 0.00 -3.30 0.00 0.00 52.55 50.69 2k0b s ASP 24 Cb 0.02 -2.54 0.03 0.00 -1.09 0.00 0.00 42.92 39.34 2k0b s ASP 24 CO 0.22 -0.99 2.64 1.21 0.70 0.00 0.00 175.17 178.95 2k0b n GLU 25 N 7.12 4.18 0.00 2.11 4.07 -1.26 -3.76 120.64 133.10 2k0b n GLU 25 Ca 0.14 -2.92 0.00 0.00 -0.06 0.00 0.00 57.16 54.32 2k0b n GLU 25 Cb 0.47 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 2k0b n GLU 25 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k0b n GLY 26 N 2.44 -0.27 1.39 8.31 0.00 -1.26 -4.80 105.19 111.00 2k0b n GLY 26 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2k0b n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k0b n GLY 27 N 0.00 0.60 0.01 -0.02 0.00 -1.25 -4.94 105.19 99.59 2k0b n GLY 27 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.40 2k0b n GLY 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k0b n TRP 28 N -2.74 0.11 0.23 1.61 4.27 -1.26 -4.25 117.44 115.42 2k0b n TRP 28 Ca 0.00 0.03 0.12 0.00 -3.89 0.00 0.00 57.50 53.76 2k0b n TRP 28 Cb 0.04 -0.44 0.74 0.00 -1.36 0.00 0.00 31.31 30.29 2k0b n TRP 28 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 2k0b h LEU 29 N 0.00 0.00 0.00 5.67 5.85 -1.92 1.00 115.31 125.90 2k0b h LEU 29 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k0b h LEU 29 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2k0b h LEU 29 CO 0.00 0.00 -0.80 0.41 -0.34 0.00 0.00 178.44 177.71 2k0b n THR 30 N -4.26 0.04 -0.11 1.05 -1.04 -1.26 -4.37 114.28 104.33 2k0b n THR 30 Ca -0.01 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.74 2k0b n THR 30 Cb 0.17 0.49 -0.08 0.00 -1.82 0.00 0.00 70.33 69.10 2k0b n THR 30 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k0b n ARG 31 N -1.61 0.55 0.00 -2.82 1.74 0.70 -4.46 116.66 110.77 2k0b n ARG 31 Ca 0.04 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2k0b n ARG 31 Cb 0.36 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2k0b n ARG 31 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2k0b n LEU 32 N -4.38 0.55 0.20 0.55 7.94 0.31 -3.76 117.00 118.40 2k0b n LEU 32 Ca -0.35 0.50 0.14 0.00 -1.11 0.00 0.00 56.01 55.19 2k0b n LEU 32 Cb 0.69 -0.12 0.60 0.00 0.53 0.00 0.00 43.42 45.11 2k0b n LEU 32 CO 0.12 -0.12 0.92 0.17 -1.11 0.00 0.00 177.39 177.36 2k0b h LEU 33 N 0.00 0.00 -1.25 -1.96 8.10 -1.76 -2.26 115.31 116.18 2k0b h LEU 33 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2k0b h LEU 33 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2k0b h LEU 33 CO 0.00 0.00 -0.06 -0.61 -4.11 0.00 0.00 178.44 173.66 2k0b h GLN 34 N 0.00 0.44 0.00 0.17 5.75 -1.77 0.54 115.11 120.24 2k0b h GLN 34 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2k0b h GLN 34 Cb 0.40 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.89 2k0b h GLN 34 CO 0.00 0.51 -1.32 0.25 -2.65 0.00 0.00 178.83 175.62 2k0b n THR 35 N -4.27 0.19 -0.70 2.39 -2.24 -1.04 -4.20 114.28 104.41 2k0b n THR 35 Ca 0.01 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 2k0b n THR 35 Cb 0.26 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 2k0b n THR 35 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k0b n LYS 36 N -2.15 1.64 -4.37 -0.78 5.02 -0.86 -4.82 118.16 111.84 2k0b n LYS 36 Ca -0.00 -1.27 -0.39 0.00 -2.02 0.00 0.00 58.31 54.62 2k0b n LYS 36 Cb 0.49 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 2k0b n LYS 36 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2k0b n ASN 37 N 0.46 -2.66 -3.08 4.39 6.94 -1.19 -3.09 115.26 117.04 2k0b n ASN 37 Ca 0.24 -1.12 -0.03 0.00 -0.02 0.00 0.00 54.58 53.66 2k0b n ASN 37 Cb 0.61 -2.24 0.00 0.00 -2.36 0.00 0.00 39.78 35.79 2k0b n ASN 37 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2k0b n TYR 38 N -4.24 -3.00 -4.75 -2.53 4.01 0.18 -5.04 117.16 101.79 2k0b n TYR 38 Ca 0.10 1.16 -0.25 0.00 -0.16 0.00 0.00 57.90 58.74 2k0b n TYR 38 Cb 0.47 -4.02 -0.15 0.00 -0.31 0.00 0.00 39.34 35.33 2k0b n TYR 38 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2k0b s ASP 39 N -2.94 2.26 0.00 7.72 -4.77 -1.18 -4.76 116.67 113.01 2k0b s ASP 39 Ca 0.03 -0.42 0.26 0.00 -3.30 0.00 0.00 52.55 49.13 2k0b s ASP 39 Cb -0.01 -0.22 0.72 0.00 -1.09 0.00 0.00 42.92 42.32 2k0b s ASP 39 CO 0.76 0.19 1.54 2.30 0.70 0.00 0.00 175.17 180.66 2k0b n ILE 40 N 2.25 0.00 -0.19 2.11 -0.00 -1.26 -3.36 119.36 118.91 2k0b n ILE 40 Ca -0.16 -0.17 -0.08 0.00 -0.00 0.00 0.00 62.75 62.33 2k0b n ILE 40 Cb 0.54 0.53 0.01 0.00 -0.00 0.00 0.00 39.64 40.71 2k0b n ILE 40 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2k0b h GLY 41 N 4.90 0.88 0.58 3.28 0.00 -1.97 0.11 103.07 110.86 2k0b h GLY 41 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 2k0b h GLY 41 CO 0.00 0.49 -1.63 0.00 0.00 0.00 0.00 176.54 175.41 2k0b n ALA 42 N -2.38 2.21 0.09 3.60 0.00 -1.26 -4.05 120.51 118.73 2k0b n ALA 42 Ca 0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 2k0b n ALA 42 Cb 0.20 -0.82 0.30 0.00 0.00 0.00 0.00 19.45 19.13 2k0b n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0b h ALA 43 N 1.63 1.29 -0.36 0.00 0.00 -1.53 -2.68 119.26 117.61 2k0b h ALA 43 Ca -0.15 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2k0b h ALA 43 Cb 1.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2k0b h ALA 43 CO 0.02 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.87 2k0b h LEU 44 N 0.25 0.63 -0.81 0.00 5.85 -0.91 0.45 115.31 120.77 2k0b h LEU 44 Ca 0.04 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 2k0b h LEU 44 Cb 0.58 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2k0b h LEU 44 CO 0.04 0.78 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.75 2k0b h ASP 45 N 0.58 0.44 0.66 1.25 3.58 -1.61 -2.99 116.42 118.33 2k0b h ASP 45 Ca 0.10 -0.19 -0.13 0.00 0.42 0.00 0.00 57.03 57.23 2k0b h ASP 45 Cb 0.56 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2k0b h ASP 45 CO 0.04 0.79 -1.44 0.35 -2.88 0.00 0.00 179.24 176.10 2k0b n THR 46 N -4.03 0.98 0.19 2.25 -2.24 -1.01 -2.22 114.28 108.20 2k0b n THR 46 Ca -0.01 -0.66 0.06 0.00 -2.27 0.00 0.00 64.05 61.17 2k0b n THR 46 Cb 0.49 -0.57 0.33 0.00 -2.10 0.00 0.00 70.33 68.48 2k0b n THR 46 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2k0b h ILE 47 N 0.00 0.88 0.00 2.28 3.07 -0.97 -3.36 117.51 119.42 2k0b h ILE 47 Ca -0.14 -1.52 0.00 0.00 1.55 0.00 0.00 64.86 64.75 2k0b h ILE 47 Cb 1.45 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.93 2k0b h ILE 47 CO 0.03 0.37 0.00 1.67 -1.05 0.00 0.00 178.15 179.17 2k0b n GLN 48 N -3.54 0.00 -2.47 0.16 -0.06 -1.25 -4.42 117.38 105.80 2k0b n GLN 48 Ca -0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 2k0b n GLN 48 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 2k0b n GLN 48 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2k0b n TYR 49 N -1.53 4.22 1.10 3.69 4.01 -1.13 -4.67 117.16 122.86 2k0b n TYR 49 Ca 0.00 -3.01 0.05 0.00 -0.16 0.00 0.00 57.90 54.78 2k0b n TYR 49 Cb 0.00 -2.37 0.15 0.00 -0.31 0.00 0.00 39.34 36.81 2k0b n TYR 49 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2k0b n SER 50 N 6.34 1.53 -3.68 7.72 7.64 -0.94 -3.96 113.62 128.26 2k0b n SER 50 Ca 0.44 -1.98 -0.13 0.00 1.01 0.00 0.00 58.87 58.22 2k0b n SER 50 Cb 0.42 -0.19 -0.13 0.00 -1.01 0.00 0.00 64.21 63.30 2k0b n SER 50 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2k0b s LYS 51 N -1.63 0.17 0.00 1.43 0.00 -1.26 -5.08 119.74 113.37 2k0b s LYS 51 Ca 0.20 0.70 0.19 0.00 0.00 0.00 0.00 55.97 57.06 2k0b s LYS 51 Cb 0.10 -0.05 0.15 0.00 0.00 0.00 0.00 37.83 38.03 2k0b s LYS 51 CO 0.14 -0.25 1.10 0.72 0.00 0.00 0.00 175.35 177.05