#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 5.23 -0.18 1.61 0.15 -1.26 -5.07 113.70 114.18 2k0b s SER 2 Ca 0.00 -1.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.00 2k0b s SER 2 Cb 0.00 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2k0b s SER 2 CO 0.00 -0.37 1.50 -2.16 1.20 0.00 0.00 173.24 173.41 2k0b s PRO 3 N 1.32 4.00 -0.21 5.44 0.04 -1.26 -4.90 135.00 139.43 2k0b s PRO 3 Ca -0.01 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2k0b s PRO 3 Cb -0.21 -3.94 0.35 0.00 0.04 0.00 0.00 34.50 30.74 2k0b s PRO 3 CO 0.01 -1.03 1.42 -0.35 0.04 0.00 0.00 177.00 177.08 2k0b n PRO 4 N 7.25 1.81 -1.14 0.56 -0.04 -1.26 -4.77 135.00 137.42 2k0b n PRO 4 Ca 0.17 -1.52 -0.05 0.00 -0.04 0.00 0.00 63.50 62.06 2k0b n PRO 4 Cb 0.45 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 2k0b n PRO 4 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k0b n GLU 5 N -0.24 -1.50 -1.45 0.54 2.13 -1.26 -4.68 120.64 114.19 2k0b n GLU 5 Ca 0.28 0.60 0.04 0.00 0.66 0.00 0.00 57.16 58.74 2k0b n GLU 5 Cb 1.04 -4.81 0.04 0.00 0.27 0.00 0.00 31.44 27.98 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 1.09 2.47 -1.86 4.31 0.00 -1.26 -4.42 120.51 120.83 2k0b n ALA 6 Ca -0.05 -2.43 -0.32 0.00 0.00 0.00 0.00 53.44 50.64 2k0b n ALA 6 Cb 0.45 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.12 6.61 0.64 0.00 2.15 -1.26 -4.60 116.67 118.10 2k0b s ASP 7 Ca 0.34 1.55 0.23 0.00 0.43 0.00 0.00 52.55 55.10 2k0b s ASP 7 Cb 0.39 -2.50 1.20 0.00 -0.30 0.00 0.00 42.92 41.71 2k0b s ASP 7 CO -0.16 -0.58 1.68 -0.65 -0.17 0.00 0.00 175.17 175.28 2k0b h PRO 8 N 0.92 0.00 0.00 4.34 0.11 -1.98 0.93 132.00 136.32 2k0b h PRO 8 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 2k0b h PRO 8 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2k0b h PRO 8 CO 0.62 0.00 -1.24 0.00 -0.21 0.00 0.00 178.00 177.16 2k0b h ARG 9 N 0.00 0.00 0.01 1.05 2.47 -1.98 -3.24 114.38 112.69 2k0b h ARG 9 Ca 0.08 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.44 2k0b h ARG 9 Cb 1.23 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.49 2k0b h ARG 9 CO -0.00 0.42 -2.30 1.28 0.56 0.00 0.00 179.97 179.93 2k0b n LEU 10 N -3.02 1.10 0.07 3.04 7.99 0.28 -0.50 117.00 125.96 2k0b n LEU 10 Ca -0.08 0.03 0.09 0.00 -0.01 0.00 0.00 56.01 56.05 2k0b n LEU 10 Cb 0.86 -0.04 0.40 0.00 -0.11 0.00 0.00 43.42 44.53 2k0b n LEU 10 CO 0.43 0.63 0.79 2.30 -1.51 0.00 0.00 177.39 180.02 2k0b n ILE 11 N -2.98 0.97 -0.03 -0.08 -5.35 0.14 0.28 119.36 112.31 2k0b n ILE 11 Ca -0.34 0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.39 2k0b n ILE 11 Cb 1.09 -1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 37.84 2k0b n ILE 11 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2k0b n GLU 12 N -1.90 0.18 0.13 6.28 2.13 -1.22 -4.18 120.64 122.05 2k0b n GLU 12 Ca 0.02 0.17 0.06 0.00 0.66 0.00 0.00 57.16 58.07 2k0b n GLU 12 Cb 0.18 -0.92 0.03 0.00 0.27 0.00 0.00 31.44 31.01 2k0b n GLU 12 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k0b h SER 13 N -0.35 0.00 0.07 4.31 0.87 -0.80 -2.78 113.55 114.87 2k0b h SER 13 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2k0b h SER 13 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2k0b h SER 13 CO 0.00 0.32 -1.98 -0.11 -0.53 0.00 0.00 176.83 174.53 2k0b n LEU 14 N -3.04 2.51 0.28 2.23 -0.00 0.49 -4.00 117.00 115.47 2k0b n LEU 14 Ca -0.00 0.20 0.14 0.00 -0.00 0.00 0.00 56.01 56.34 2k0b n LEU 14 Cb 0.68 -1.04 0.81 0.00 -0.00 0.00 0.00 43.42 43.88 2k0b n LEU 14 CO 0.39 0.74 1.04 -1.28 -0.00 0.00 0.00 177.39 178.29 2k0b h SER 15 N -0.21 0.00 -0.73 1.96 0.87 -0.31 0.22 113.55 115.34 2k0b h SER 15 Ca -0.46 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.19 2k0b h SER 15 Cb 1.85 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.74 2k0b h SER 15 CO -0.03 0.07 0.39 -0.61 -0.53 0.00 0.00 176.83 176.12 2k0b h GLN 16 N 0.00 0.65 0.00 2.24 -0.00 -1.62 -0.25 115.11 116.13 2k0b h GLN 16 Ca -0.00 -0.04 -0.27 0.00 -0.00 0.00 0.00 58.65 58.34 2k0b h GLN 16 Cb 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 27.48 27.47 2k0b h GLN 16 CO 0.01 0.43 -2.05 0.00 0.00 0.00 0.00 178.83 177.22 2k0b n MET 17 N -4.82 0.66 -0.25 1.69 0.00 -0.75 -3.65 117.12 110.00 2k0b n MET 17 Ca 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 57.70 57.79 2k0b n MET 17 Cb 0.26 -1.62 0.05 0.00 0.00 0.00 0.00 33.22 31.91 2k0b n MET 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2k0b h LEU 18 N 0.00 1.04 -0.62 3.17 5.85 -0.40 -0.26 115.31 124.09 2k0b h LEU 18 Ca -0.36 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2k0b h LEU 18 Cb 1.91 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2k0b h LEU 18 CO 0.04 0.99 -0.26 -1.20 -0.34 0.00 0.00 178.44 177.66 2k0b n SER 19 N -4.28 1.23 -0.09 1.25 7.64 -0.12 -4.16 113.62 115.09 2k0b n SER 19 Ca 0.05 -1.04 -0.11 0.00 1.01 0.00 0.00 58.87 58.78 2k0b n SER 19 Cb 0.24 0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.48 2k0b n SER 19 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2k0b n MET 20 N -0.47 0.96 0.00 1.43 0.00 -1.08 -5.03 117.12 112.92 2k0b n MET 20 Ca 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 57.70 57.86 2k0b n MET 20 Cb 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.14 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 2.09 0.90 3.41 -5.12 0.00 -0.37 -5.08 105.19 101.02 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 -0.90 1.92 0.24 1.61 0.08 -0.25 -5.06 117.98 115.61 2k0b s PHE 22 Ca 0.00 -0.66 -0.06 0.00 0.12 0.00 0.00 56.93 56.33 2k0b s PHE 22 Cb 0.00 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2k0b s PHE 22 CO 0.00 0.31 0.32 -1.12 -0.10 0.00 0.00 175.22 174.63 2k0b s SER 23 N -3.42 0.17 0.19 1.36 0.01 -1.26 -4.48 113.70 106.27 2k0b s SER 23 Ca 0.28 -1.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2k0b s SER 23 Cb 0.02 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.67 2k0b s SER 23 CO 0.11 -1.02 1.32 1.51 0.41 0.00 0.00 173.24 175.57 2k0b s ASP 24 N -3.11 6.89 -0.92 2.44 1.47 -1.26 -4.70 116.67 117.47 2k0b s ASP 24 Ca 0.31 2.40 -0.06 0.00 1.18 0.00 0.00 52.55 56.38 2k0b s ASP 24 Cb 0.03 -2.61 0.01 0.00 -0.34 0.00 0.00 42.92 40.01 2k0b s ASP 24 CO 0.12 -0.54 2.78 1.21 0.68 0.00 0.00 175.17 179.42 2k0b n GLU 25 N 2.74 3.42 0.00 2.11 2.13 -1.26 -4.71 120.64 125.06 2k0b n GLU 25 Ca 0.07 -2.56 0.00 0.00 0.66 0.00 0.00 57.16 55.33 2k0b n GLU 25 Cb 0.43 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 1.89 1.13 0.82 8.31 0.00 -1.26 -4.81 105.19 111.27 2k0b n GLY 26 Ca 0.58 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 0.17 0.03 -0.02 0.00 -1.26 -4.96 105.19 99.15 2k0b n GLY 27 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.28 0.24 1.61 4.27 -1.26 -4.46 117.44 118.12 2k0b n TRP 28 Ca -0.18 0.08 0.17 0.00 -3.89 0.00 0.00 57.50 53.68 2k0b n TRP 28 Cb 0.54 -0.44 0.88 0.00 -1.36 0.00 0.00 31.31 30.93 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 0.03 5.67 5.85 -1.95 0.95 115.31 125.86 2k0b h LEU 29 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2k0b h LEU 29 Cb 0.70 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2k0b h LEU 29 CO 0.00 0.00 -0.53 0.71 -0.34 0.00 0.00 178.44 178.28 2k0b h THR 30 N 0.00 1.49 0.81 1.05 1.35 -2.01 -3.31 112.91 112.29 2k0b h THR 30 Ca 0.06 -2.35 -0.04 0.00 -0.55 0.00 0.00 66.41 63.54 2k0b h THR 30 Cb 0.41 3.05 0.01 0.00 -1.73 0.00 0.00 68.15 69.89 2k0b h THR 30 CO -0.00 0.57 -0.39 0.03 -0.25 0.00 0.00 175.52 175.48 2k0b h ARG 31 N -0.84 -1.05 -0.43 4.72 3.08 -1.23 -1.59 114.38 117.05 2k0b h ARG 31 Ca -0.13 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.08 2k0b h ARG 31 Cb 1.24 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 31.44 2k0b h ARG 31 CO -0.02 -0.70 -0.17 1.25 -1.07 0.00 0.00 179.97 179.27 2k0b h LEU 32 N -1.09 -0.59 0.50 3.04 7.12 0.63 -1.13 115.31 123.80 2k0b h LEU 32 Ca -0.11 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 2k0b h LEU 32 Cb 0.83 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2k0b h LEU 32 CO 0.18 -0.20 -0.24 -0.07 -0.13 0.00 0.00 178.44 177.98 2k0b h LEU 33 N -0.08 -0.57 -0.95 2.25 4.07 -1.64 -2.99 115.31 115.40 2k0b h LEU 33 Ca 0.21 0.02 0.29 0.00 0.08 0.00 0.00 57.88 58.48 2k0b h LEU 33 Cb 0.40 0.15 -0.16 0.00 1.08 0.00 0.00 40.66 42.13 2k0b h LEU 33 CO -0.48 -0.37 0.32 1.56 -1.08 0.00 0.00 178.44 178.39 2k0b h GLN 34 N -0.75 0.16 0.18 1.13 7.50 -1.14 1.00 115.11 123.18 2k0b h GLN 34 Ca -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 2k0b h GLN 34 Cb 0.52 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.02 2k0b h GLN 34 CO 0.11 0.10 -0.08 1.15 -1.50 0.00 0.00 178.83 178.61 2k0b h THR 35 N 0.16 0.92 -0.69 -0.54 2.02 -1.22 -3.20 112.91 110.37 2k0b h THR 35 Ca 0.65 -0.48 -0.46 0.00 0.77 0.00 0.00 66.41 66.90 2k0b h THR 35 Cb 1.46 1.21 -0.19 0.00 -1.74 0.00 0.00 68.15 68.88 2k0b h THR 35 CO -0.71 0.11 0.59 0.29 0.37 0.00 0.00 175.52 176.16 2k0b n LYS 36 N -5.09 2.14 -4.11 6.66 4.01 -0.76 -4.84 118.16 116.17 2k0b n LYS 36 Ca -0.09 -2.21 -0.29 0.00 -0.51 0.00 0.00 58.31 55.20 2k0b n LYS 36 Cb 0.20 -1.87 -0.05 0.00 -0.51 0.00 0.00 35.03 32.80 2k0b n LYS 36 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2k0b n ASN 37 N -0.10 -0.23 -2.66 4.39 6.94 -1.08 -3.05 115.26 119.45 2k0b n ASN 37 Ca 0.42 -1.14 -0.02 0.00 -0.02 0.00 0.00 54.58 53.82 2k0b n ASN 37 Cb 0.60 -2.35 0.00 0.00 -2.36 0.00 0.00 39.78 35.68 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 -4.52 -2.47 -3.44 -2.53 4.02 0.34 -4.98 117.16 103.58 2k0b n TYR 38 Ca -0.30 0.96 -0.40 0.00 -0.01 0.00 0.00 57.90 58.16 2k0b n TYR 38 Cb 0.68 -3.54 -0.10 0.00 -0.02 0.00 0.00 39.34 36.36 2k0b n TYR 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2k0b s ASP 39 N -2.60 6.17 0.19 7.72 -1.08 -1.17 -4.90 116.67 120.99 2k0b s ASP 39 Ca 0.07 -0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.30 2k0b s ASP 39 Cb -0.02 -2.18 0.12 0.00 -1.46 0.00 0.00 42.92 39.38 2k0b s ASP 39 CO 0.59 -0.23 1.16 0.16 0.52 0.00 0.00 175.17 177.37 2k0b h ILE 40 N 5.46 0.00 -0.31 4.11 -2.65 -1.92 -2.75 117.51 119.46 2k0b h ILE 40 Ca -0.31 -0.84 -0.05 0.00 1.03 0.00 0.00 64.86 64.69 2k0b h ILE 40 Cb 1.16 1.38 -0.02 0.00 -2.05 0.00 0.00 36.82 37.30 2k0b h ILE 40 CO 0.65 0.00 -0.03 1.23 0.03 0.00 0.00 178.15 180.02 2k0b h GLY 41 N 4.16 0.52 0.00 0.16 0.00 -1.99 -0.62 103.07 105.30 2k0b h GLY 41 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2k0b h GLY 41 CO 0.00 0.29 -2.02 0.00 0.00 0.00 0.00 176.54 174.81 2k0b n ALA 42 N -2.48 2.73 0.02 3.60 0.00 -1.25 -4.28 120.51 118.85 2k0b n ALA 42 Ca 0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 2k0b n ALA 42 Cb 0.26 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 1.94 0.60 -0.13 0.00 0.00 -1.28 -3.02 119.26 117.38 2k0b h ALA 43 Ca -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2k0b h ALA 43 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2k0b h ALA 43 CO 0.00 0.72 -0.11 -0.07 0.00 0.00 0.00 179.25 179.79 2k0b h LEU 44 N 0.38 0.18 -0.34 0.00 4.07 -1.30 -2.16 115.31 116.14 2k0b h LEU 44 Ca -0.02 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.97 2k0b h LEU 44 Cb 1.23 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.87 2k0b h LEU 44 CO 0.12 0.32 0.03 -0.78 -1.08 0.00 0.00 178.44 177.05 2k0b h ASP 45 N 0.19 -0.07 0.39 -0.43 1.82 -1.58 -0.13 116.42 116.60 2k0b h ASP 45 Ca 0.04 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2k0b h ASP 45 Cb 0.32 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2k0b h ASP 45 CO 0.02 -0.00 -0.17 0.35 -1.61 0.00 0.00 179.24 177.83 2k0b n THR 46 N -5.14 0.00 -1.73 2.25 -2.24 -1.01 -1.66 114.28 104.75 2k0b n THR 46 Ca 0.01 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 2k0b n THR 46 Cb 0.17 0.01 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.97 3.27 -0.96 2.28 -5.35 -0.77 -4.35 119.36 112.51 2k0b n ILE 47 Ca 0.13 -3.72 0.00 0.00 -0.27 0.00 0.00 62.75 58.89 2k0b n ILE 47 Cb 0.30 -1.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.02 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 0.00 -2.56 6.28 3.00 -1.22 -4.87 117.38 117.27 2k0b n GLN 48 Ca 0.55 0.27 -0.17 0.00 -0.01 0.00 0.00 57.00 57.63 2k0b n GLN 48 Cb 0.63 -2.88 0.02 0.00 0.00 0.00 0.00 30.24 28.00 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 -2.89 2.25 1.57 1.08 4.02 -0.13 -4.87 117.16 118.19 2k0b n TYR 49 Ca 0.00 -2.88 0.09 0.00 -0.01 0.00 0.00 57.90 55.10 2k0b n TYR 49 Cb 0.11 -0.24 0.55 0.00 -0.02 0.00 0.00 39.34 39.74 2k0b n TYR 49 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2k0b n SER 50 N -0.30 0.00 -3.73 7.72 2.88 -0.66 -3.59 113.62 115.93 2k0b n SER 50 Ca 0.24 -0.99 -0.30 0.00 -1.33 0.00 0.00 58.87 56.49 2k0b n SER 50 Cb 0.75 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.00 1.03 0.00 -1.46 2.20 -1.26 -5.02 119.74 113.23 2k0b s LYS 51 Ca 0.28 -1.58 0.31 0.00 -0.36 0.00 0.00 55.97 54.62 2k0b s LYS 51 Cb 0.13 -2.21 1.80 0.00 -1.51 0.00 0.00 37.83 36.04 2k0b s LYS 51 CO 0.21 -1.08 2.17 0.72 -0.36 0.00 0.00 175.35 177.02