#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 6.88 0.07 1.61 0.01 -1.26 -5.01 113.70 116.00 2k0b s SER 2 Ca 0.00 1.06 -0.34 0.00 1.31 0.00 0.00 55.95 57.98 2k0b s SER 2 Cb 0.00 -2.38 -0.13 0.00 0.21 0.00 0.00 66.02 63.72 2k0b s SER 2 CO 0.00 -0.11 1.69 -0.81 0.41 0.00 0.00 173.24 174.43 2k0b n PRO 3 N 3.90 2.17 0.00 12.44 -0.04 -1.26 -4.85 135.00 147.36 2k0b n PRO 3 Ca -0.03 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2k0b n PRO 3 Cb 0.51 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2k0b n PRO 3 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2k0b n PRO 4 N 4.62 0.76 -0.89 0.54 -0.04 -1.26 -4.70 135.00 134.04 2k0b n PRO 4 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2k0b n PRO 4 Cb 0.29 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2k0b n PRO 4 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0b n GLU 5 N 0.41 -0.30 -0.56 0.54 -0.58 -1.26 -4.70 120.64 114.18 2k0b n GLU 5 Ca 0.00 0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.85 2k0b n GLU 5 Cb 0.30 -3.45 0.05 0.00 -0.57 0.00 0.00 31.44 27.77 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0b n ALA 6 N 1.00 2.21 -2.56 0.62 0.00 -1.26 -3.65 120.51 116.86 2k0b n ALA 6 Ca 0.00 -1.69 -0.29 0.00 0.00 0.00 0.00 53.44 51.46 2k0b n ALA 6 Cb 0.08 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 2k0b n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k0b s ASP 7 N -1.69 6.45 0.63 0.00 1.01 -1.26 -4.59 116.67 117.22 2k0b s ASP 7 Ca 0.14 0.67 0.20 0.00 0.71 0.00 0.00 52.55 54.27 2k0b s ASP 7 Cb 0.14 -2.12 0.92 0.00 1.01 0.00 0.00 42.92 42.87 2k0b s ASP 7 CO -0.02 -0.16 1.48 -0.65 0.21 0.00 0.00 175.17 176.03 2k0b h PRO 8 N 1.82 0.00 0.16 8.23 0.11 -1.96 1.04 132.00 141.40 2k0b h PRO 8 Ca -0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 2k0b h PRO 8 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k0b h PRO 8 CO 0.67 0.00 -1.43 0.00 -0.21 0.00 0.00 178.00 177.03 2k0b h ARG 9 N 0.00 0.34 0.00 1.05 3.08 -1.97 -3.35 114.38 113.54 2k0b h ARG 9 Ca 0.17 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2k0b h ARG 9 Cb 1.75 0.22 0.00 0.00 0.08 0.00 0.00 29.97 32.02 2k0b h ARG 9 CO -0.00 1.28 -1.87 1.28 -1.07 0.00 0.00 179.97 179.59 2k0b n LEU 10 N -3.83 0.11 0.25 3.04 4.77 0.47 -2.73 117.00 119.09 2k0b n LEU 10 Ca -0.22 -0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2k0b n LEU 10 Cb 0.97 -0.01 0.61 0.00 -2.33 0.00 0.00 43.42 42.67 2k0b n LEU 10 CO 0.48 -0.00 0.91 -0.29 -1.33 0.00 0.00 177.39 177.16 2k0b h ILE 11 N 0.00 0.36 0.06 -0.08 -0.00 0.90 0.77 117.51 119.53 2k0b h ILE 11 Ca 0.00 -0.78 -0.36 0.00 -0.00 0.00 0.00 64.86 63.72 2k0b h ILE 11 Cb 0.97 1.58 -0.04 0.00 -0.00 0.00 0.00 36.82 39.33 2k0b h ILE 11 CO 0.00 0.13 -2.12 -0.62 -0.00 0.00 0.00 178.15 175.54 2k0b n GLU 12 N -3.33 0.70 -0.08 2.19 -0.58 -1.25 -3.50 120.64 114.79 2k0b n GLU 12 Ca -0.00 0.21 -0.20 0.00 -0.42 0.00 0.00 57.16 56.75 2k0b n GLU 12 Cb 0.34 -1.65 -0.13 0.00 -0.57 0.00 0.00 31.44 29.43 2k0b n GLU 12 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2k0b n SER 13 N -3.29 2.04 -0.11 1.62 7.64 -1.10 -3.99 113.62 116.43 2k0b n SER 13 Ca -0.34 0.04 -0.25 0.00 1.01 0.00 0.00 58.87 59.33 2k0b n SER 13 Cb 1.04 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 2k0b n SER 13 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k0b n LEU 14 N -3.43 2.05 0.24 -3.43 -0.00 0.15 -4.03 117.00 108.55 2k0b n LEU 14 Ca -0.40 0.33 0.09 0.00 -0.00 0.00 0.00 56.01 56.03 2k0b n LEU 14 Cb 1.00 -0.92 0.62 0.00 -0.00 0.00 0.00 43.42 44.12 2k0b n LEU 14 CO 0.32 0.49 0.93 -1.28 -0.00 0.00 0.00 177.39 177.85 2k0b h SER 15 N -0.83 0.00 -0.28 1.96 0.87 0.16 0.32 113.55 115.74 2k0b h SER 15 Ca -0.51 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 2k0b h SER 15 Cb 1.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 2k0b h SER 15 CO -0.26 0.16 0.13 -0.61 -0.53 0.00 0.00 176.83 175.72 2k0b h GLN 16 N 0.00 0.41 -0.18 2.24 -0.00 -1.69 -0.49 115.11 115.40 2k0b h GLN 16 Ca -0.00 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 58.46 2k0b h GLN 16 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.76 2k0b h GLN 16 CO 0.02 0.40 -0.36 0.52 0.00 0.00 0.00 178.83 179.42 2k0b h MET 17 N 0.32 0.57 -0.21 1.69 2.86 -1.45 -2.43 114.93 116.28 2k0b h MET 17 Ca 0.10 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2k0b h MET 17 Cb 0.13 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2k0b h MET 17 CO -0.01 0.97 0.00 1.25 1.06 0.00 0.00 176.91 180.18 2k0b h LEU 18 N 0.23 0.28 0.00 1.22 5.85 -0.28 0.18 115.31 122.78 2k0b h LEU 18 Ca 0.01 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k0b h LEU 18 Cb 0.95 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2k0b h LEU 18 CO 0.08 0.33 -0.90 -0.24 -0.34 0.00 0.00 178.44 177.37 2k0b n SER 19 N -4.36 0.76 -0.09 1.25 2.88 -0.20 -4.36 113.62 109.49 2k0b n SER 19 Ca 0.00 -0.64 -0.10 0.00 -1.33 0.00 0.00 58.87 56.80 2k0b n SER 19 Cb 0.19 0.80 -0.14 0.00 -0.75 0.00 0.00 64.21 64.31 2k0b n SER 19 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2k0b n MET 20 N -1.60 0.95 0.00 -1.46 0.00 -0.92 -5.02 117.12 109.08 2k0b n MET 20 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 2k0b n MET 20 Cb 0.36 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.11 2k0b n MET 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k0b n GLY 21 N 1.96 0.93 3.17 -5.12 0.00 -0.34 -5.08 105.19 100.71 2k0b n GLY 21 Ca -0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.16 1.35 0.00 1.61 0.08 0.47 -5.05 117.98 115.29 2k0b s PHE 22 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2k0b s PHE 22 Cb 0.00 -0.79 0.00 0.00 -0.57 0.00 0.00 43.02 41.66 2k0b s PHE 22 CO 0.00 0.06 0.00 0.43 -0.10 0.00 0.00 175.22 175.61 2k0b n SER 23 N 1.74 0.00 -4.64 1.36 7.64 -1.26 -3.96 113.62 114.50 2k0b n SER 23 Ca -0.18 -0.40 -0.43 0.00 1.01 0.00 0.00 58.87 58.86 2k0b n SER 23 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.38 6.79 -1.03 6.43 -4.77 -1.26 -4.86 116.67 118.35 2k0b s ASP 24 Ca 0.00 1.32 -0.02 0.00 -3.30 0.00 0.00 52.55 50.55 2k0b s ASP 24 Cb 0.00 -2.54 0.31 0.00 -1.09 0.00 0.00 42.92 39.60 2k0b s ASP 24 CO 0.00 -0.96 1.62 1.21 0.70 0.00 0.00 175.17 177.74 2k0b n GLU 25 N 7.04 4.86 0.00 2.11 2.13 -1.26 -4.02 120.64 131.51 2k0b n GLU 25 Ca 0.14 -4.62 0.00 0.00 0.66 0.00 0.00 57.16 53.34 2k0b n GLU 25 Cb 0.46 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2k0b n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k0b n GLY 26 N 0.63 -0.09 1.02 8.31 0.00 -1.26 -4.81 105.19 108.99 2k0b n GLY 26 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.70 0.03 -0.02 0.00 -1.26 -4.97 105.19 99.68 2k0b n GLY 27 Ca 0.00 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.51 0.22 -0.06 1.61 4.27 -1.26 -4.49 117.44 115.22 2k0b n TRP 28 Ca 0.00 0.06 0.11 0.00 -3.89 0.00 0.00 57.50 53.78 2k0b n TRP 28 Cb 0.00 -0.38 0.49 0.00 -1.36 0.00 0.00 31.31 30.06 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 0.37 0.00 5.67 5.85 -1.91 1.01 115.31 126.31 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 0.67 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2k0b h LEU 29 CO 0.00 0.24 -0.41 0.35 -0.34 0.00 0.00 178.44 178.27 2k0b n THR 30 N -4.47 0.03 -0.10 1.05 -2.24 -1.26 -3.90 114.28 103.39 2k0b n THR 30 Ca 0.08 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 2k0b n THR 30 Cb 0.32 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 2k0b n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k0b n ARG 31 N -1.55 0.53 -0.07 -0.78 1.74 0.92 -4.29 116.66 113.14 2k0b n ARG 31 Ca 0.06 0.37 -0.08 0.00 -0.77 0.00 0.00 57.85 57.43 2k0b n ARG 31 Cb 0.34 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 2k0b n ARG 31 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2k0b h LEU 32 N -1.00 -0.84 -0.14 0.55 7.12 0.66 -3.20 115.31 118.46 2k0b h LEU 32 Ca -0.20 0.15 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 2k0b h LEU 32 Cb 1.03 0.40 -0.00 0.00 -0.53 0.00 0.00 40.66 41.56 2k0b h LEU 32 CO -0.12 -0.29 -0.07 -0.07 -0.13 0.00 0.00 178.44 177.77 2k0b h LEU 33 N -0.24 0.30 0.00 2.25 4.07 -1.75 -3.37 115.31 116.58 2k0b h LEU 33 Ca 0.15 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2k0b h LEU 33 Cb 0.48 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2k0b h LEU 33 CO -0.44 0.65 0.00 0.00 -1.08 0.00 0.00 178.44 177.57 2k0b n GLN 34 N -4.66 0.00 0.25 1.13 1.13 -1.21 0.50 117.38 114.52 2k0b n GLN 34 Ca -0.06 0.84 0.08 0.00 -1.94 0.00 0.00 57.00 55.92 2k0b n GLN 34 Cb 0.29 -1.29 0.61 0.00 0.11 0.00 0.00 30.24 29.96 2k0b n GLN 34 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2k0b h THR 35 N 0.00 1.02 -0.40 5.09 1.35 -1.76 -1.82 112.91 116.39 2k0b h THR 35 Ca 0.00 -0.14 -0.25 0.00 -0.55 0.00 0.00 66.41 65.47 2k0b h THR 35 Cb 0.00 1.07 -0.12 0.00 -1.73 0.00 0.00 68.15 67.38 2k0b h THR 35 CO 0.00 0.04 0.33 0.29 -0.25 0.00 0.00 175.52 175.93 2k0b n LYS 36 N -4.48 1.63 -3.24 4.72 5.02 -0.64 -4.82 118.16 116.35 2k0b n LYS 36 Ca -0.03 -1.28 -0.20 0.00 -2.02 0.00 0.00 58.31 54.78 2k0b n LYS 36 Cb 0.12 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.33 -2.89 -2.34 4.39 0.23 -0.68 -2.18 115.26 112.11 2k0b n ASN 37 Ca 0.25 -0.25 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 2k0b n ASN 37 Cb 0.68 -2.45 0.00 0.00 -2.08 0.00 0.00 39.78 35.94 2k0b n ASN 37 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2k0b n TYR 38 N -3.58 -1.82 -3.69 -2.53 4.01 0.18 -5.00 117.16 104.73 2k0b n TYR 38 Ca -0.01 0.71 -0.36 0.00 -0.16 0.00 0.00 57.90 58.08 2k0b n TYR 38 Cb 0.53 -2.99 -0.10 0.00 -0.31 0.00 0.00 39.34 36.47 2k0b n TYR 38 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2k0b s ASP 39 N -2.32 6.05 0.08 7.72 2.15 -0.93 -4.82 116.67 124.60 2k0b s ASP 39 Ca 0.06 0.11 0.24 0.00 0.43 0.00 0.00 52.55 53.38 2k0b s ASP 39 Cb -0.02 -2.09 0.32 0.00 -0.30 0.00 0.00 42.92 40.83 2k0b s ASP 39 CO 0.43 0.08 1.28 2.30 -0.17 0.00 0.00 175.17 179.09 2k0b n ILE 40 N 4.21 0.24 -0.20 4.11 -0.00 -1.26 -2.68 119.36 123.78 2k0b n ILE 40 Ca -0.15 -0.21 -0.03 0.00 -0.00 0.00 0.00 62.75 62.36 2k0b n ILE 40 Cb 0.52 0.02 0.17 0.00 -0.00 0.00 0.00 39.64 40.35 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 4.62 1.04 0.29 3.28 0.00 -1.97 0.02 103.07 110.35 2k0b h GLY 41 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2k0b h GLY 41 CO 0.00 0.51 -1.60 0.00 0.00 0.00 0.00 176.54 175.44 2k0b n ALA 42 N -2.44 2.94 -0.01 3.60 0.00 -1.25 -4.16 120.51 119.18 2k0b n ALA 42 Ca 0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 2k0b n ALA 42 Cb 0.16 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 2.12 0.75 -0.66 0.00 0.00 -1.25 -3.01 119.26 117.20 2k0b h ALA 43 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k0b h ALA 43 Cb 0.94 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2k0b h ALA 43 CO 0.00 0.67 0.40 -0.07 0.00 0.00 0.00 179.25 180.25 2k0b h LEU 44 N 0.47 0.79 -0.90 0.00 4.07 -1.16 -1.69 115.31 116.88 2k0b h LEU 44 Ca 0.02 -0.04 0.16 0.00 0.08 0.00 0.00 57.88 58.10 2k0b h LEU 44 Cb 1.01 -0.20 -0.10 0.00 1.08 0.00 0.00 40.66 42.46 2k0b h LEU 44 CO 0.09 0.61 0.49 -0.78 -1.08 0.00 0.00 178.44 177.78 2k0b h ASP 45 N 0.91 0.62 0.10 -0.43 1.82 -1.50 -0.73 116.42 117.20 2k0b h ASP 45 Ca 0.24 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 2k0b h ASP 45 Cb -0.03 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2k0b h ASP 45 CO -0.04 0.25 -0.47 0.35 -1.61 0.00 0.00 179.24 177.71 2k0b n THR 46 N -4.83 0.00 -1.65 2.25 -2.24 -0.88 -3.08 114.28 103.85 2k0b n THR 46 Ca 0.19 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 2k0b n THR 46 Cb 0.47 0.89 0.06 0.00 -2.10 0.00 0.00 70.33 69.65 2k0b n THR 46 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2k0b n ILE 47 N -0.49 3.51 -1.73 2.28 -5.35 -0.61 -4.63 119.36 112.33 2k0b n ILE 47 Ca 0.09 -3.62 -0.01 0.00 -0.27 0.00 0.00 62.75 58.94 2k0b n ILE 47 Cb 0.41 -1.19 -0.00 0.00 -1.74 0.00 0.00 39.64 37.11 2k0b n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k0b n GLN 48 N -0.74 -0.08 -3.14 6.28 3.00 -1.23 -4.97 117.38 116.50 2k0b n GLN 48 Ca 0.57 0.19 -0.22 0.00 -0.01 0.00 0.00 57.00 57.54 2k0b n GLN 48 Cb 0.51 -3.74 -0.04 0.00 0.00 0.00 0.00 30.24 26.96 2k0b n GLN 48 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2k0b n TYR 49 N -3.70 1.35 -0.98 1.08 4.01 -0.38 -4.96 117.16 113.58 2k0b n TYR 49 Ca -0.01 -3.85 -0.12 0.00 -0.16 0.00 0.00 57.90 53.75 2k0b n TYR 49 Cb 0.37 -0.44 -0.11 0.00 -0.31 0.00 0.00 39.34 38.85 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 0.34 5.52 -2.73 7.72 7.64 -1.18 -3.25 113.62 127.68 2k0b n SER 50 Ca 0.26 -2.61 -0.04 0.00 1.01 0.00 0.00 58.87 57.49 2k0b n SER 50 Cb 0.55 -1.32 0.02 0.00 -1.01 0.00 0.00 64.21 62.46 2k0b n SER 50 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k0b n LYS 51 N 1.95 0.42 0.00 1.43 0.00 -1.26 -5.09 118.16 115.61 2k0b n LYS 51 Ca 0.35 -1.60 0.00 0.00 0.00 0.00 0.00 58.31 57.07 2k0b n LYS 51 Cb 0.77 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.84 2k0b n LYS 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01