#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 7.05 0.26 1.61 0.15 -1.26 -5.00 113.70 116.51 2k0b s SER 2 Ca 0.00 1.57 -0.30 0.00 0.70 0.00 0.00 55.95 57.92 2k0b s SER 2 Cb 0.00 -2.48 -0.14 0.00 -1.71 0.00 0.00 66.02 61.69 2k0b s SER 2 CO 0.00 -0.13 1.11 -2.65 1.20 0.00 0.00 173.24 172.77 2k0b n PRO 3 N 0.16 1.42 -0.23 5.44 -0.02 -1.26 -4.71 135.00 135.80 2k0b n PRO 3 Ca 0.02 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2k0b n PRO 3 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2k0b n PRO 3 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2k0b n PRO 4 N 1.13 0.55 0.00 0.52 -0.02 -1.26 -2.27 135.00 133.64 2k0b n PRO 4 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2k0b n PRO 4 Cb 0.30 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2k0b n PRO 4 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0b n GLU 5 N 1.58 0.78 0.00 -0.52 -0.58 -1.26 -4.89 120.64 115.75 2k0b n GLU 5 Ca 0.00 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 2k0b n GLU 5 Cb 0.27 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 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 -0.14 0.00 -2.73 0.62 0.00 -0.96 -5.00 120.51 112.30 2k0b n ALA 6 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2k0b n ALA 6 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 5.26 0.64 0.00 2.15 -1.22 -4.64 116.67 118.86 2k0b s ASP 7 Ca 0.00 -0.09 0.21 0.00 0.43 0.00 0.00 52.55 53.10 2k0b s ASP 7 Cb 0.00 -1.33 1.06 0.00 -0.30 0.00 0.00 42.92 42.34 2k0b s ASP 7 CO 0.00 0.18 1.57 -0.65 -0.17 0.00 0.00 175.17 176.10 2k0b h PRO 8 N 3.42 0.00 0.00 4.34 0.11 -1.93 0.93 132.00 138.87 2k0b h PRO 8 Ca -0.47 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 2k0b h PRO 8 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2k0b h PRO 8 CO 0.62 0.00 -1.40 0.00 -0.21 0.00 0.00 178.00 177.01 2k0b h ARG 9 N 0.00 0.00 0.00 1.05 3.08 -1.93 -3.35 114.38 113.23 2k0b h ARG 9 Ca 0.13 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.92 2k0b h ARG 9 Cb 1.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.52 2k0b h ARG 9 CO -0.00 0.57 -2.13 1.28 -1.07 0.00 0.00 179.97 178.62 2k0b n LEU 10 N -3.10 0.20 0.28 3.04 4.77 0.27 -1.33 117.00 121.13 2k0b n LEU 10 Ca -0.10 0.09 0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2k0b n LEU 10 Cb 0.96 0.32 0.83 0.00 -2.33 0.00 0.00 43.42 43.20 2k0b n LEU 10 CO 0.45 0.35 1.06 0.40 -1.33 0.00 0.00 177.39 178.32 2k0b h ILE 11 N 0.00 0.57 0.00 -0.08 2.04 -0.21 0.48 117.51 120.32 2k0b h ILE 11 Ca -0.37 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 2k0b h ILE 11 Cb 1.91 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 2k0b h ILE 11 CO 0.03 0.05 -0.98 -1.84 0.00 0.00 0.00 178.15 175.41 2k0b n GLU 12 N -3.81 0.51 0.10 2.37 0.28 -1.25 -4.21 120.64 114.63 2k0b n GLU 12 Ca -0.03 0.33 -0.01 0.00 -0.16 0.00 0.00 57.16 57.30 2k0b n GLU 12 Cb 0.14 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.45 2k0b n GLU 12 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2k0b h SER 13 N -1.00 0.00 0.09 -1.84 0.02 -1.13 -2.90 113.55 106.79 2k0b h SER 13 Ca -0.07 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.51 2k0b h SER 13 Cb 0.91 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 2k0b h SER 13 CO -0.04 0.67 -2.13 -0.11 -1.14 0.00 0.00 176.83 174.08 2k0b n LEU 14 N -3.23 2.72 0.25 5.07 7.94 0.76 -4.16 117.00 126.35 2k0b n LEU 14 Ca -0.00 0.12 0.10 0.00 -1.11 0.00 0.00 56.01 55.11 2k0b n LEU 14 Cb 0.82 -1.06 0.63 0.00 0.53 0.00 0.00 43.42 44.34 2k0b n LEU 14 CO 0.43 0.87 0.93 -1.28 -1.11 0.00 0.00 177.39 177.22 2k0b h SER 15 N 0.02 0.00 0.94 1.96 0.87 -0.36 0.18 113.55 117.15 2k0b h SER 15 Ca -0.47 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 2k0b h SER 15 Cb 1.98 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.92 2k0b h SER 15 CO 0.03 0.16 -0.50 0.06 -0.53 0.00 0.00 176.83 176.05 2k0b h GLN 16 N 0.00 0.00 0.00 2.24 -0.00 -1.67 -2.57 115.11 113.11 2k0b h GLN 16 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.39 2k0b h GLN 16 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.82 2k0b h GLN 16 CO 0.02 0.50 -1.84 0.00 -0.00 0.00 0.00 178.83 177.51 2k0b n MET 17 N -3.51 0.65 -0.03 0.06 0.00 -0.96 -3.11 117.12 110.22 2k0b n MET 17 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 57.70 57.81 2k0b n MET 17 Cb 0.61 -1.70 0.17 0.00 0.00 0.00 0.00 33.22 32.30 2k0b n MET 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2k0b h LEU 18 N 0.00 0.59 0.00 3.17 4.07 -0.95 -1.05 115.31 121.15 2k0b h LEU 18 Ca -0.31 -0.19 -0.21 0.00 0.08 0.00 0.00 57.88 57.26 2k0b h LEU 18 Cb 1.89 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 43.44 2k0b h LEU 18 CO 0.05 0.79 -1.34 0.77 -1.08 0.00 0.00 178.44 177.64 2k0b h SER 19 N 0.53 0.00 0.78 -0.43 4.64 -1.62 -3.37 113.55 114.09 2k0b h SER 19 Ca 0.08 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.16 2k0b h SER 19 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2k0b h SER 19 CO 0.04 0.76 -1.18 -0.03 -0.87 0.00 0.00 176.83 175.56 2k0b h MET 20 N 0.00 0.14 0.00 4.77 1.85 -1.47 -3.48 114.93 116.73 2k0b h MET 20 Ca -0.16 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 58.70 2k0b h MET 20 Cb 1.72 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.84 2k0b h MET 20 CO 0.07 1.08 0.00 0.41 -0.40 0.00 0.00 176.91 178.07 2k0b n GLY 21 N 1.46 0.73 3.82 1.39 0.00 -0.57 -5.08 105.19 106.95 2k0b n GLY 21 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.97 2.72 0.33 1.61 0.08 -0.50 -5.07 117.98 116.19 2k0b s PHE 22 Ca 0.00 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2k0b s PHE 22 Cb 0.00 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2k0b s PHE 22 CO 0.00 0.07 0.42 0.43 -0.10 0.00 0.00 175.22 176.04 2k0b n SER 23 N -1.39 -1.15 -4.72 1.36 7.64 -1.26 -4.75 113.62 109.34 2k0b n SER 23 Ca 0.01 -2.91 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 2k0b n SER 23 Cb 0.62 2.24 -0.04 0.00 -1.01 0.00 0.00 64.21 66.03 2k0b n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k0b s ASP 24 N -3.14 7.32 0.29 6.43 -1.08 -1.26 -4.67 116.67 120.57 2k0b s ASP 24 Ca 0.31 1.85 0.26 0.00 -0.52 0.00 0.00 52.55 54.45 2k0b s ASP 24 Cb -0.00 -2.58 0.82 0.00 -1.46 0.00 0.00 42.92 39.70 2k0b s ASP 24 CO 0.22 -0.25 1.75 -0.08 0.52 0.00 0.00 175.17 177.34 2k0b h GLU 25 N 6.16 0.00 0.00 4.34 4.81 -2.00 -3.45 114.58 124.45 2k0b h GLU 25 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2k0b h GLU 25 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k0b h GLU 25 CO 0.75 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 2k0b n GLY 26 N 0.85 -1.81 1.37 1.92 0.00 -1.26 -5.03 105.19 101.23 2k0b n GLY 26 Ca 0.04 0.53 -0.05 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.97 0.75 0.02 -0.02 0.00 -1.26 -4.96 105.19 98.75 2k0b n GLY 27 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.37 0.10 -0.17 1.61 4.27 -1.26 -4.73 117.44 116.90 2k0b n TRP 28 Ca -0.23 0.03 -0.02 0.00 -3.89 0.00 0.00 57.50 53.39 2k0b n TRP 28 Cb 0.70 -0.37 0.06 0.00 -1.36 0.00 0.00 31.31 30.34 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 -0.25 -0.05 5.67 5.85 -1.96 1.16 115.31 125.73 2k0b h LEU 29 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2k0b h LEU 29 Cb 0.81 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2k0b h LEU 29 CO 0.00 -0.09 0.00 0.35 -0.34 0.00 0.00 178.44 178.36 2k0b n THR 30 N -5.25 0.46 -0.10 1.05 -2.24 -1.26 -3.01 114.28 103.93 2k0b n THR 30 Ca 0.06 0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.75 2k0b n THR 30 Cb 0.28 -0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2k0b n THR 30 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2k0b n ARG 31 N -1.64 0.53 -0.11 -0.78 0.63 0.69 -3.46 116.66 112.53 2k0b n ARG 31 Ca 0.05 0.41 -0.05 0.00 -0.92 0.00 0.00 57.85 57.34 2k0b n ARG 31 Cb 0.28 -1.60 0.01 0.00 0.45 0.00 0.00 32.46 31.60 2k0b n ARG 31 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2k0b h LEU 32 N -1.00 -0.34 0.33 6.15 7.12 0.11 -2.44 115.31 125.24 2k0b h LEU 32 Ca -0.27 0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.84 2k0b h LEU 32 Cb 1.10 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 2k0b h LEU 32 CO -0.16 -0.12 -0.16 -0.07 -0.13 0.00 0.00 178.44 177.80 2k0b h LEU 33 N 0.01 -0.37 -0.96 2.25 3.38 -1.72 -3.32 115.31 114.57 2k0b h LEU 33 Ca 0.18 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.21 2k0b h LEU 33 Cb 0.28 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.99 2k0b h LEU 33 CO -0.39 -0.16 -0.46 1.67 0.09 0.00 0.00 178.44 179.19 2k0b n GLN 34 N -5.22 -0.32 0.22 1.13 -0.06 -0.93 0.77 117.38 112.97 2k0b n GLN 34 Ca -0.10 1.47 0.15 0.00 -2.00 0.00 0.00 57.00 56.52 2k0b n GLN 34 Cb 0.23 -2.18 0.71 0.00 -4.06 0.00 0.00 30.24 24.94 2k0b n GLN 34 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2k0b h THR 35 N 0.00 0.00 -0.30 1.69 1.35 -1.62 -2.87 112.91 111.16 2k0b h THR 35 Ca 0.25 -0.21 -0.16 0.00 -0.55 0.00 0.00 66.41 65.74 2k0b h THR 35 Cb 0.49 1.00 -0.10 0.00 -1.73 0.00 0.00 68.15 67.82 2k0b h THR 35 CO -0.93 0.00 -0.18 0.29 -0.25 0.00 0.00 175.52 174.45 2k0b n LYS 36 N -2.63 1.83 -2.13 4.72 5.02 0.62 -4.92 118.16 120.67 2k0b n LYS 36 Ca -0.00 -3.25 -0.15 0.00 -2.02 0.00 0.00 58.31 52.89 2k0b n LYS 36 Cb 0.17 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2k0b n LYS 36 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k0b n ASN 37 N -1.12 -4.59 -3.03 4.39 5.15 -1.06 -2.86 115.26 112.13 2k0b n ASN 37 Ca 0.31 0.06 -0.03 0.00 -0.60 0.00 0.00 54.58 54.33 2k0b n ASN 37 Cb 0.97 -3.68 0.01 0.00 -0.53 0.00 0.00 39.78 36.55 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 -3.74 -2.78 -4.02 1.20 4.01 0.23 -4.88 117.16 107.18 2k0b n TYR 38 Ca -0.17 1.05 -0.35 0.00 -0.16 0.00 0.00 57.90 58.26 2k0b n TYR 38 Cb 0.61 -4.02 -0.09 0.00 -0.31 0.00 0.00 39.34 35.52 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 -3.03 5.73 0.00 7.72 2.15 -1.14 -4.72 116.67 123.38 2k0b s ASP 39 Ca 0.08 0.16 0.27 0.00 0.43 0.00 0.00 52.55 53.49 2k0b s ASP 39 Cb -0.01 -1.92 0.82 0.00 -0.30 0.00 0.00 42.92 41.51 2k0b s ASP 39 CO 0.72 0.24 1.60 2.30 -0.17 0.00 0.00 175.17 179.86 2k0b n ILE 40 N 3.08 0.00 -0.28 4.11 -0.00 -1.26 -2.96 119.36 122.05 2k0b n ILE 40 Ca -0.17 -0.15 -0.06 0.00 -0.00 0.00 0.00 62.75 62.37 2k0b n ILE 40 Cb 0.53 0.42 0.06 0.00 -0.00 0.00 0.00 39.64 40.65 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 4.91 1.17 0.00 3.28 0.00 -1.97 0.52 103.07 110.98 2k0b h GLY 41 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2k0b h GLY 41 CO 0.00 0.55 -1.46 0.00 0.00 0.00 0.00 176.54 175.63 2k0b n ALA 42 N -2.39 3.77 -0.05 3.60 0.00 -1.26 -4.31 120.51 119.87 2k0b n ALA 42 Ca 0.07 -0.55 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 2k0b n ALA 42 Cb 0.14 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 2.45 0.35 -0.52 0.00 0.00 -1.39 -3.11 119.26 117.05 2k0b h ALA 43 Ca 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.49 2k0b h ALA 43 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2k0b h ALA 43 CO 0.00 0.59 0.36 -0.07 0.00 0.00 0.00 179.25 180.13 2k0b h LEU 44 N 0.50 0.21 -0.51 0.00 4.07 -1.09 0.49 115.31 118.98 2k0b h LEU 44 Ca -0.01 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.05 2k0b h LEU 44 Cb 1.21 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.83 2k0b h LEU 44 CO 0.13 0.12 0.02 -0.78 -1.08 0.00 0.00 178.44 176.85 2k0b h ASP 45 N 0.23 -0.19 0.39 -0.43 3.58 -1.66 -2.11 116.42 116.23 2k0b h ASP 45 Ca 0.25 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 2k0b h ASP 45 Cb 0.66 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 2k0b h ASP 45 CO -0.05 -0.06 -1.62 0.35 -2.88 0.00 0.00 179.24 174.99 2k0b n THR 46 N -5.22 0.26 -0.85 2.25 -2.24 -0.41 -1.98 114.28 106.09 2k0b n THR 46 Ca 0.06 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2k0b n THR 46 Cb 0.28 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.43 2.60 -1.97 2.28 -5.35 0.03 -4.57 119.36 109.96 2k0b n ILE 47 Ca -0.03 -1.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.10 2k0b n ILE 47 Cb 0.57 -1.59 0.00 0.00 -1.74 0.00 0.00 39.64 36.88 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 1.37 0.00 -2.87 6.28 3.00 -1.25 -4.72 117.38 119.18 2k0b n GLN 48 Ca 0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2k0b n GLN 48 Cb 0.63 -2.76 0.03 0.00 0.00 0.00 0.00 30.24 28.13 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 -3.09 -0.39 -1.77 1.08 4.01 -0.81 -4.97 117.16 111.22 2k0b n TYR 49 Ca 0.00 -2.94 -0.33 0.00 -0.16 0.00 0.00 57.90 54.47 2k0b n TYR 49 Cb 0.45 0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 39.67 2k0b n TYR 49 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2k0b n SER 50 N 0.06 7.15 -3.78 7.72 2.88 -0.84 -3.95 113.62 122.86 2k0b n SER 50 Ca 0.13 -3.26 -0.21 0.00 -1.33 0.00 0.00 58.87 54.20 2k0b n SER 50 Cb 0.75 -1.26 -0.17 0.00 -0.75 0.00 0.00 64.21 62.77 2k0b n SER 50 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2k0b s LYS 51 N -1.88 0.45 0.00 -1.46 2.36 -1.26 -5.10 119.74 112.84 2k0b s LYS 51 Ca 0.55 0.12 0.12 0.00 -2.55 0.00 0.00 55.97 54.21 2k0b s LYS 51 Cb 0.31 -0.75 0.10 0.00 -1.05 0.00 0.00 37.83 36.43 2k0b s LYS 51 CO -0.19 -0.24 0.88 0.72 1.55 0.00 0.00 175.35 178.08