#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 6.24 0.32 1.61 0.01 -1.26 -5.05 113.70 115.56 2k0b s SER 2 Ca 0.00 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.40 2k0b s SER 2 Cb 0.00 -2.25 -0.11 0.00 0.21 0.00 0.00 66.02 63.86 2k0b s SER 2 CO 0.00 -0.65 1.54 -2.84 0.41 0.00 0.00 173.24 171.70 2k0b s PRO 3 N 2.36 4.14 0.00 12.44 0.02 -1.26 -4.76 135.00 147.94 2k0b s PRO 3 Ca 0.15 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2k0b s PRO 3 Cb -0.16 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2k0b s PRO 3 CO 0.15 -0.57 0.46 -2.30 -0.33 0.00 0.00 177.00 174.41 2k0b n PRO 4 N 1.60 0.46 0.00 5.54 -0.02 -1.26 -0.98 135.00 140.34 2k0b n PRO 4 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2k0b n PRO 4 Cb 0.38 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2k0b n PRO 4 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k0b n GLU 5 N 0.76 0.00 -0.86 -0.52 2.13 -1.26 -4.75 120.64 116.14 2k0b n GLU 5 Ca 0.00 -0.46 -0.01 0.00 0.66 0.00 0.00 57.16 57.35 2k0b n GLU 5 Cb 0.23 -0.50 -0.01 0.00 0.27 0.00 0.00 31.44 31.43 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k0b n ALA 6 N 0.00 2.57 -2.03 4.31 0.00 -0.15 -4.50 120.51 120.70 2k0b n ALA 6 Ca 0.00 -0.95 -0.36 0.00 0.00 0.00 0.00 53.44 52.13 2k0b n ALA 6 Cb 0.48 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.95 7.09 0.59 0.00 -1.08 -0.82 -4.62 116.67 116.88 2k0b s ASP 7 Ca 0.08 1.50 0.34 0.00 -0.52 0.00 0.00 52.55 53.95 2k0b s ASP 7 Cb 0.09 -2.45 1.22 0.00 -1.46 0.00 0.00 42.92 40.32 2k0b s ASP 7 CO -0.04 -0.01 1.45 -0.65 0.52 0.00 0.00 175.17 176.44 2k0b h PRO 8 N 3.26 0.00 0.16 4.34 0.11 -1.96 1.04 132.00 138.95 2k0b h PRO 8 Ca -0.48 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 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 0.65 0.00 -1.35 0.00 -0.21 0.00 0.00 178.00 177.09 2k0b h ARG 9 N 0.00 0.34 0.00 1.05 3.08 -1.98 -3.31 114.38 113.55 2k0b h ARG 9 Ca 0.59 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2k0b h ARG 9 Cb 2.97 0.21 0.00 0.00 0.08 0.00 0.00 29.97 33.24 2k0b h ARG 9 CO -0.01 1.28 -1.48 1.28 -1.07 0.00 0.00 179.97 179.97 2k0b n LEU 10 N -3.87 0.42 0.08 3.04 4.32 0.13 -1.79 117.00 119.31 2k0b n LEU 10 Ca -0.21 -0.04 0.11 0.00 -0.02 0.00 0.00 56.01 55.85 2k0b n LEU 10 Cb 0.95 -0.03 0.45 0.00 -1.62 0.00 0.00 43.42 43.17 2k0b n LEU 10 CO 0.48 0.03 0.85 0.00 -1.22 0.00 0.00 177.39 177.53 2k0b n ILE 11 N -2.12 0.68 -0.12 -0.08 3.06 0.32 0.72 119.36 121.82 2k0b n ILE 11 Ca -0.01 0.07 -0.25 0.00 -2.50 0.00 0.00 62.75 60.07 2k0b n ILE 11 Cb 0.50 -0.89 -0.11 0.00 0.54 0.00 0.00 39.64 39.68 2k0b n ILE 11 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2k0b n GLU 12 N -1.97 0.57 -0.06 9.51 4.07 -1.22 -4.13 120.64 127.41 2k0b n GLU 12 Ca 0.04 0.45 -0.14 0.00 -0.06 0.00 0.00 57.16 57.46 2k0b n GLU 12 Cb 0.28 -1.65 -0.14 0.00 -0.06 0.00 0.00 31.44 29.87 2k0b n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2k0b n SER 13 N -4.37 1.10 -0.07 4.31 3.41 -0.74 -3.72 113.62 113.54 2k0b n SER 13 Ca -0.40 0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.12 2k0b n SER 13 Cb 0.75 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.59 2k0b n SER 13 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k0b n LEU 14 N -3.09 2.36 0.28 1.04 0.00 0.15 -4.14 117.00 113.60 2k0b n LEU 14 Ca -0.30 0.23 0.16 0.00 0.00 0.00 0.00 56.01 56.10 2k0b n LEU 14 Cb 1.07 -0.99 0.79 0.00 0.00 0.00 0.00 43.42 44.29 2k0b n LEU 14 CO 0.40 0.66 1.01 -1.28 0.00 0.00 0.00 177.39 178.18 2k0b h SER 15 N -0.43 0.00 0.28 1.96 0.87 0.14 -0.11 113.55 116.26 2k0b h SER 15 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2k0b h SER 15 Cb 1.73 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.67 2k0b h SER 15 CO -0.11 0.06 -0.29 -0.61 -0.53 0.00 0.00 176.83 175.34 2k0b h GLN 16 N 0.00 -0.59 0.00 2.24 -0.00 -1.72 -0.11 115.11 114.93 2k0b h GLN 16 Ca -0.00 0.04 -0.15 0.00 -0.00 0.00 0.00 58.65 58.54 2k0b h GLN 16 Cb 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 2k0b h GLN 16 CO 0.01 -0.39 -0.72 0.00 0.00 0.00 0.00 178.83 177.72 2k0b h MET 17 N -0.61 0.00 0.00 1.69 -0.00 -1.66 -2.67 114.93 111.68 2k0b h MET 17 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.64 2k0b h MET 17 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.16 2k0b h MET 17 CO -0.07 0.68 -0.23 1.25 -0.00 0.00 0.00 176.91 178.55 2k0b h LEU 18 N 0.00 0.00 0.00 -0.10 5.85 -0.81 0.15 115.31 120.40 2k0b h LEU 18 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k0b h LEU 18 Cb 1.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.57 2k0b h LEU 18 CO 0.09 0.23 -1.04 -0.24 -0.34 0.00 0.00 178.44 177.13 2k0b n SER 19 N -4.18 0.62 -0.07 1.25 2.88 -0.07 -4.30 113.62 109.74 2k0b n SER 19 Ca -0.02 -0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 57.13 2k0b n SER 19 Cb 0.29 0.84 -0.15 0.00 -0.75 0.00 0.00 64.21 64.44 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 -1.92 0.67 0.00 -1.46 0.00 -0.86 -5.01 117.12 108.55 2k0b n MET 20 Ca 0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 2k0b n MET 20 Cb 0.43 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.03 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 1.78 1.20 3.18 -5.12 0.00 0.27 -5.07 105.19 101.42 2k0b n GLY 21 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 0.92 0.00 1.61 0.40 0.22 -5.05 117.98 114.08 2k0b s PHE 22 Ca 0.00 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.38 2k0b s PHE 22 Cb 0.00 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 43.00 2k0b s PHE 22 CO 0.00 -0.19 0.00 0.43 0.70 0.00 0.00 175.22 176.16 2k0b n SER 23 N -0.07 0.00 -4.66 1.36 7.64 -1.26 -3.80 113.62 112.83 2k0b n SER 23 Ca -0.11 -0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.15 2k0b n SER 23 Cb 0.61 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 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 1.08 6.75 -0.94 6.43 -4.77 -1.26 -4.84 116.67 119.12 2k0b s ASP 24 Ca 0.00 2.10 -0.00 0.00 -3.30 0.00 0.00 52.55 51.35 2k0b s ASP 24 Cb 0.00 -2.54 0.33 0.00 -1.09 0.00 0.00 42.92 39.62 2k0b s ASP 24 CO 0.00 -0.87 1.75 1.21 0.70 0.00 0.00 175.17 177.96 2k0b n GLU 25 N 6.80 4.76 0.00 2.11 2.13 -1.26 -4.23 120.64 130.95 2k0b n GLU 25 Ca 0.16 -4.51 0.00 0.00 0.66 0.00 0.00 57.16 53.47 2k0b n GLU 25 Cb 0.43 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.73 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 -0.16 0.16 0.32 8.31 0.00 -1.26 -4.83 105.19 107.72 2k0b n GLY 26 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.91 0.22 -0.02 0.00 -1.26 -4.98 105.19 100.06 2k0b n GLY 27 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.16 0.00 0.28 1.61 4.27 -1.26 -4.25 117.44 115.93 2k0b n TRP 28 Ca 0.00 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.77 2k0b n TRP 28 Cb 0.00 -0.08 0.91 0.00 -1.36 0.00 0.00 31.31 30.79 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 1.09 0.00 0.08 5.67 5.85 -1.91 0.89 115.31 126.98 2k0b h LEU 29 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 2k0b h LEU 29 Cb 0.58 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2k0b h LEU 29 CO 0.00 0.00 -2.15 0.35 -0.34 0.00 0.00 178.44 176.30 2k0b n THR 30 N -3.77 1.68 0.29 1.05 -2.24 -1.26 -3.75 114.28 106.28 2k0b n THR 30 Ca -0.02 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 2k0b n THR 30 Cb 0.15 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 66.69 2k0b n THR 30 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2k0b h ARG 31 N 0.03 -0.72 0.32 -0.78 2.47 -1.41 -2.60 114.38 111.69 2k0b h ARG 31 Ca -0.48 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2k0b h ARG 31 Cb 1.98 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 30.43 2k0b h ARG 31 CO 0.02 -0.48 -0.50 1.25 0.56 0.00 0.00 179.97 180.83 2k0b h LEU 32 N -0.76 -1.43 0.08 3.04 7.12 0.51 -2.71 115.31 121.16 2k0b h LEU 32 Ca -0.08 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 2k0b h LEU 32 Cb 0.57 0.50 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 2k0b h LEU 32 CO 0.12 -0.60 -0.10 -0.07 -0.13 0.00 0.00 178.44 177.66 2k0b h LEU 33 N -0.86 -0.29 -0.75 2.25 4.07 -1.65 -1.12 115.31 116.95 2k0b h LEU 33 Ca -0.04 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.12 2k0b h LEU 33 Cb 0.79 0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.51 2k0b h LEU 33 CO -0.16 -0.13 0.11 1.56 -1.08 0.00 0.00 178.44 178.74 2k0b h GLN 34 N -0.19 0.18 -0.17 1.13 7.50 -1.55 0.81 115.11 122.82 2k0b h GLN 34 Ca -0.01 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.05 2k0b h GLN 34 Cb 0.17 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 2k0b h GLN 34 CO -0.02 0.12 -0.26 1.15 -1.50 0.00 0.00 178.83 178.31 2k0b h THR 35 N 0.19 1.25 -0.66 -0.54 2.02 -1.43 -2.67 112.91 111.07 2k0b h THR 35 Ca 0.43 -1.20 -0.26 0.00 0.77 0.00 0.00 66.41 66.15 2k0b h THR 35 Cb 0.76 1.41 -0.15 0.00 -1.74 0.00 0.00 68.15 68.43 2k0b h THR 35 CO -0.59 0.37 0.33 0.29 0.37 0.00 0.00 175.52 176.29 2k0b n LYS 36 N -4.14 2.71 -3.23 6.66 4.01 0.03 -4.89 118.16 119.32 2k0b n LYS 36 Ca -0.01 -2.37 -0.15 0.00 -0.51 0.00 0.00 58.31 55.28 2k0b n LYS 36 Cb 0.38 -1.98 0.08 0.00 -0.51 0.00 0.00 35.03 33.00 2k0b n LYS 36 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2k0b n ASN 37 N -0.32 -2.07 -3.87 4.39 5.15 -0.75 -3.17 115.26 114.61 2k0b n ASN 37 Ca 0.37 -0.53 -0.29 0.00 -0.60 0.00 0.00 54.58 53.53 2k0b n ASN 37 Cb 1.26 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.04 2k0b n ASN 37 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k0b n TYR 38 N -3.68 -1.71 -3.37 1.20 4.01 0.26 -4.90 117.16 108.96 2k0b n TYR 38 Ca -0.25 0.60 -0.38 0.00 -0.16 0.00 0.00 57.90 57.72 2k0b n TYR 38 Cb 0.65 -3.58 -0.07 0.00 -0.31 0.00 0.00 39.34 36.03 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 -4.02 6.57 0.04 7.72 -1.08 -1.19 -4.66 116.67 120.06 2k0b s ASP 39 Ca 0.19 0.68 0.25 0.00 -0.52 0.00 0.00 52.55 53.15 2k0b s ASP 39 Cb -0.07 -2.25 0.43 0.00 -1.46 0.00 0.00 42.92 39.56 2k0b s ASP 39 CO 0.89 -0.00 1.36 2.30 0.52 0.00 0.00 175.17 180.23 2k0b n ILE 40 N 3.83 0.13 -0.09 4.11 -0.00 -1.26 -2.99 119.36 123.09 2k0b n ILE 40 Ca -0.08 -0.11 -0.04 0.00 -0.00 0.00 0.00 62.75 62.52 2k0b n ILE 40 Cb 0.51 0.11 0.19 0.00 -0.00 0.00 0.00 39.64 40.45 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 4.80 0.80 0.10 3.28 0.00 -1.97 -1.49 103.07 108.58 2k0b h GLY 41 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.64 2k0b h GLY 41 CO 0.00 0.48 -2.10 0.00 0.00 0.00 0.00 176.54 174.92 2k0b n ALA 42 N -2.47 2.18 -0.16 3.60 0.00 -1.26 -4.23 120.51 118.17 2k0b n ALA 42 Ca 0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 53.44 52.55 2k0b n ALA 42 Cb 0.29 -0.53 0.13 0.00 0.00 0.00 0.00 19.45 19.33 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 1.53 1.06 -0.36 0.00 0.00 -1.44 -2.95 119.26 117.10 2k0b h ALA 43 Ca -0.25 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2k0b h ALA 43 Cb 1.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2k0b h ALA 43 CO 0.02 0.60 -0.27 -0.07 0.00 0.00 0.00 179.25 179.52 2k0b h LEU 44 N 0.86 0.76 -1.27 0.00 4.07 -1.46 -1.17 115.31 117.10 2k0b h LEU 44 Ca 0.17 -0.29 0.12 0.00 0.08 0.00 0.00 57.88 57.96 2k0b h LEU 44 Cb 0.41 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.88 2k0b h LEU 44 CO 0.01 1.00 0.56 -0.78 -1.08 0.00 0.00 178.44 178.15 2k0b h ASP 45 N 0.64 0.70 0.62 -0.43 1.82 -1.53 -0.10 116.42 118.13 2k0b h ASP 45 Ca 0.08 0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 56.50 2k0b h ASP 45 Cb 0.79 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.64 2k0b h ASP 45 CO 0.06 0.39 -1.54 0.71 -1.61 0.00 0.00 179.24 177.26 2k0b h THR 46 N 0.76 0.88 0.00 2.25 1.35 -1.52 -2.90 112.91 113.73 2k0b h THR 46 Ca 0.42 -2.63 -0.07 0.00 -0.55 0.00 0.00 66.41 63.57 2k0b h THR 46 Cb 0.55 2.39 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 2k0b h THR 46 CO -0.18 0.50 -0.15 2.30 -0.25 0.00 0.00 175.52 177.74 2k0b n ILE 47 N -3.05 2.38 -1.00 6.82 -5.35 -0.46 -4.65 119.36 114.05 2k0b n ILE 47 Ca -0.13 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2k0b n ILE 47 Cb 0.99 -1.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.20 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 1.89 -0.11 -2.42 6.28 6.02 -1.23 -4.93 117.38 122.89 2k0b n GLN 48 Ca 0.17 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.81 2k0b n GLN 48 Cb 0.66 -3.06 0.02 0.00 1.02 0.00 0.00 30.24 28.88 2k0b n GLN 48 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2k0b n TYR 49 N -2.82 3.11 0.87 1.08 4.02 -0.11 -4.75 117.16 118.57 2k0b n TYR 49 Ca 0.00 -2.75 0.10 0.00 -0.01 0.00 0.00 57.90 55.23 2k0b n TYR 49 Cb 0.03 -0.96 0.48 0.00 -0.02 0.00 0.00 39.34 38.87 2k0b n TYR 49 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2k0b n SER 50 N -0.30 0.00 0.00 7.72 7.64 -1.09 -3.40 113.62 124.18 2k0b n SER 50 Ca 0.46 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2k0b n SER 50 Cb 0.32 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.33 0.00 0.00 1.43 4.81 -1.26 -5.00 118.16 116.81 2k0b n LYS 51 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2k0b n LYS 51 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 2k0b n LYS 51 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18