#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 7.51 -0.01 1.61 0.01 -1.26 -4.98 113.70 116.58 2k0b s SER 2 Ca 0.00 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 2k0b s SER 2 Cb 0.00 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 2k0b s SER 2 CO 0.00 -0.03 1.99 -2.84 0.41 0.00 0.00 173.24 172.77 2k0b s PRO 3 N -0.17 3.98 0.00 12.44 0.02 -1.26 -4.86 135.00 145.15 2k0b s PRO 3 Ca 0.46 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 2k0b s PRO 3 Cb -0.24 -4.19 -0.06 0.00 0.02 0.00 0.00 34.50 30.03 2k0b s PRO 3 CO 0.30 -1.14 2.11 -2.30 -0.33 0.00 0.00 177.00 175.64 2k0b n PRO 4 N 7.72 1.09 -0.05 5.54 -0.02 -1.26 -3.12 135.00 144.90 2k0b n PRO 4 Ca 0.21 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2k0b n PRO 4 Cb 0.42 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.83 0.00 -2.17 -0.52 1.02 -1.26 -4.88 120.64 114.67 2k0b n GLU 5 Ca 0.10 -0.48 -0.02 0.00 -0.02 0.00 0.00 57.16 56.74 2k0b n GLU 5 Cb 0.52 -0.44 0.02 0.00 -0.02 0.00 0.00 31.44 31.53 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0b n ALA 6 N 0.00 -1.07 -2.69 0.62 0.00 -1.18 -4.83 120.51 111.35 2k0b n ALA 6 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 2k0b n ALA 6 Cb 0.52 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.33 5.25 0.65 0.00 -1.08 -1.25 -4.86 116.67 115.05 2k0b s ASP 7 Ca 0.04 0.09 0.14 0.00 -0.52 0.00 0.00 52.55 52.30 2k0b s ASP 7 Cb 0.12 -1.44 0.70 0.00 -1.46 0.00 0.00 42.92 40.83 2k0b s ASP 7 CO -0.03 0.33 1.37 -0.65 0.52 0.00 0.00 175.17 176.72 2k0b h PRO 8 N 4.76 0.00 0.07 4.34 0.11 -1.99 0.81 132.00 140.11 2k0b h PRO 8 Ca -0.50 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.25 2k0b h PRO 8 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2k0b h PRO 8 CO 0.56 0.00 -2.06 0.54 -0.21 0.00 0.00 178.00 176.83 2k0b n ARG 9 N -2.77 0.72 0.00 1.05 1.74 -1.26 -4.45 116.66 111.69 2k0b n ARG 9 Ca 0.02 0.23 0.10 0.00 -0.77 0.00 0.00 57.85 57.44 2k0b n ARG 9 Cb 0.84 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 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 -3.33 0.89 0.27 0.55 4.77 0.12 -3.30 117.00 116.97 2k0b n LEU 10 Ca -0.32 -0.41 0.15 0.00 -0.03 0.00 0.00 56.01 55.40 2k0b n LEU 10 Cb 1.04 -0.03 0.71 0.00 -2.33 0.00 0.00 43.42 42.82 2k0b n LEU 10 CO 0.40 0.22 0.97 -0.29 -1.33 0.00 0.00 177.39 177.36 2k0b h ILE 11 N 0.00 0.25 0.00 -0.08 2.10 0.18 0.98 117.51 120.94 2k0b h ILE 11 Ca 0.00 -0.59 -0.21 0.00 1.08 0.00 0.00 64.86 65.14 2k0b h ILE 11 Cb 0.53 1.47 -0.04 0.00 -1.09 0.00 0.00 36.82 37.70 2k0b h ILE 11 CO 0.00 0.08 -1.89 -0.62 -1.08 0.00 0.00 178.15 174.64 2k0b n GLU 12 N -3.27 0.65 -0.12 2.19 4.71 -1.26 -3.86 120.64 119.68 2k0b n GLU 12 Ca -0.00 0.06 -0.26 0.00 -0.01 0.00 0.00 57.16 56.94 2k0b n GLU 12 Cb 0.29 -1.65 -0.11 0.00 -1.01 0.00 0.00 31.44 28.96 2k0b n GLU 12 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2k0b n SER 13 N -2.72 1.94 -0.07 1.62 7.64 -0.62 -4.18 113.62 117.24 2k0b n SER 13 Ca -0.17 0.31 -0.22 0.00 1.01 0.00 0.00 58.87 59.80 2k0b n SER 13 Cb 0.90 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 63.16 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 -4.17 2.39 0.24 -3.43 -0.00 0.30 -4.18 117.00 108.16 2k0b n LEU 14 Ca -0.47 0.23 0.17 0.00 -0.00 0.00 0.00 56.01 55.94 2k0b n LEU 14 Cb 0.85 -1.00 0.80 0.00 -0.00 0.00 0.00 43.42 44.07 2k0b n LEU 14 CO 0.12 0.67 0.99 0.28 -0.00 0.00 0.00 177.39 179.45 2k0b h SER 15 N -0.38 0.00 1.06 1.96 0.02 -0.61 0.15 113.55 115.75 2k0b h SER 15 Ca -0.47 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.32 2k0b h SER 15 Cb 1.75 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 2k0b h SER 15 CO -0.09 0.00 -0.77 0.06 -1.14 0.00 0.00 176.83 174.88 2k0b h GLN 16 N 0.00 0.00 0.00 3.45 -0.00 -1.73 -3.27 115.11 113.57 2k0b h GLN 16 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 2k0b h GLN 16 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.65 2k0b h GLN 16 CO 0.00 0.77 -1.79 0.00 -0.00 0.00 0.00 178.83 177.81 2k0b n MET 17 N -3.40 0.65 -0.37 0.06 0.00 -0.60 -4.21 117.12 109.25 2k0b n MET 17 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 57.70 57.83 2k0b n MET 17 Cb 0.81 -1.69 0.17 0.00 0.00 0.00 0.00 33.22 32.51 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 1.03 -0.46 3.17 5.85 -0.81 0.15 115.31 124.25 2k0b h LEU 18 Ca -0.26 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.31 2k0b h LEU 18 Cb 1.73 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 2k0b h LEU 18 CO 0.04 0.66 -0.51 0.28 -0.34 0.00 0.00 178.44 178.58 2k0b h SER 19 N 1.17 0.77 1.06 1.25 0.02 -1.73 -3.29 113.55 112.80 2k0b h SER 19 Ca 0.42 -0.40 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2k0b h SER 19 Cb 0.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2k0b h SER 19 CO -0.17 1.14 -1.00 0.24 -1.14 0.00 0.00 176.83 175.90 2k0b h MET 20 N 0.55 0.00 0.00 3.45 2.86 -1.63 -3.48 114.93 116.68 2k0b h MET 20 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2k0b h MET 20 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2k0b h MET 20 CO 0.10 0.48 0.00 0.41 1.06 0.00 0.00 176.91 178.96 2k0b n GLY 21 N 1.33 0.86 3.21 8.32 0.00 -0.09 -5.13 105.19 113.69 2k0b n GLY 21 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.06 1.53 0.00 1.61 0.40 0.33 -5.03 117.98 115.76 2k0b s PHE 22 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2k0b s PHE 22 Cb 0.00 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.64 2k0b s PHE 22 CO 0.00 0.08 0.00 0.43 0.70 0.00 0.00 175.22 176.43 2k0b n SER 23 N 1.70 0.00 -4.28 1.36 7.64 -1.26 -3.76 113.62 115.02 2k0b n SER 23 Ca -0.18 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.42 2k0b n SER 23 Cb 0.54 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.59 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 1.58 2.75 0.00 6.43 1.47 -1.26 -4.77 116.67 122.87 2k0b s ASP 24 Ca 0.00 -0.50 -0.25 0.00 1.18 0.00 0.00 52.55 52.98 2k0b s ASP 24 Cb 0.00 -0.26 -0.19 0.00 -0.34 0.00 0.00 42.92 42.13 2k0b s ASP 24 CO 0.00 0.23 1.35 -0.08 0.68 0.00 0.00 175.17 177.35 2k0b h GLU 25 N 5.11 -0.05 0.00 2.11 4.81 -1.87 -3.40 114.58 121.29 2k0b h GLU 25 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2k0b h GLU 25 Cb 1.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2k0b h GLU 25 CO 0.45 0.32 0.00 0.41 -0.73 0.00 0.00 179.01 179.46 2k0b n GLY 26 N -0.08 0.50 0.00 1.92 0.00 -1.26 -5.00 105.19 101.27 2k0b n GLY 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.11 0.88 0.01 -0.02 0.00 -1.26 -5.01 105.19 99.90 2k0b n GLY 27 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.02 1.61 4.27 -1.26 -4.05 117.44 118.00 2k0b n TRP 28 Ca 0.00 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.74 2k0b n TRP 28 Cb 0.00 -0.34 0.56 0.00 -1.36 0.00 0.00 31.31 30.17 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 0.03 0.24 0.00 5.67 5.85 -1.94 0.90 115.31 126.05 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 0.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2k0b h LEU 29 CO 0.00 0.15 -0.23 0.71 -0.34 0.00 0.00 178.44 178.73 2k0b h THR 30 N 0.27 0.00 0.00 1.05 1.35 -1.98 -3.34 112.91 110.26 2k0b h THR 30 Ca 0.23 -1.00 -0.11 0.00 -0.55 0.00 0.00 66.41 64.99 2k0b h THR 30 Cb 0.55 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 2k0b h THR 30 CO -0.05 0.00 -1.11 0.54 -0.25 0.00 0.00 175.52 174.65 2k0b n ARG 31 N -3.00 0.52 0.10 4.72 1.74 0.93 -4.01 116.66 117.66 2k0b n ARG 31 Ca 0.03 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.36 2k0b n ARG 31 Cb 0.53 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.22 -0.44 0.55 7.12 0.41 -2.97 115.31 117.76 2k0b h LEU 32 Ca -0.16 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 2k0b h LEU 32 Cb 0.97 0.45 -0.02 0.00 -0.53 0.00 0.00 40.66 41.53 2k0b h LEU 32 CO -0.10 -0.44 0.27 -0.07 -0.13 0.00 0.00 178.44 177.98 2k0b h LEU 33 N -0.59 0.52 -0.84 2.25 4.07 -1.74 -3.20 115.31 115.77 2k0b h LEU 33 Ca -0.01 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.98 2k0b h LEU 33 Cb 0.59 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 42.10 2k0b h LEU 33 CO -0.21 0.41 -0.50 1.67 -1.08 0.00 0.00 178.44 178.73 2k0b n GLN 34 N -4.75 -0.37 0.00 1.13 -0.06 -1.12 0.91 117.38 113.12 2k0b n GLN 34 Ca 0.01 1.39 0.14 0.00 -2.00 0.00 0.00 57.00 56.54 2k0b n GLN 34 Cb 0.04 -2.04 0.64 0.00 -4.06 0.00 0.00 30.24 24.82 2k0b n GLN 34 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k0b n THR 35 N -4.93 0.00 -1.33 1.69 -2.24 -1.21 -3.54 114.28 102.72 2k0b n THR 35 Ca 0.02 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 2k0b n THR 35 Cb 0.22 -0.01 0.21 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.69 2.16 -3.54 -0.78 5.02 -0.06 -4.92 118.16 115.35 2k0b n LYS 36 Ca 0.17 -3.11 -0.22 0.00 -2.02 0.00 0.00 58.31 53.13 2k0b n LYS 36 Cb 0.27 -1.95 0.08 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.02 -5.18 -3.55 4.39 5.15 -1.03 -2.75 115.26 111.27 2k0b n ASN 37 Ca 0.40 -0.55 -0.25 0.00 -0.60 0.00 0.00 54.58 53.58 2k0b n ASN 37 Cb 1.23 -4.99 0.05 0.00 -0.53 0.00 0.00 39.78 35.54 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 -4.74 -2.08 -2.49 1.20 4.01 0.26 -4.86 117.16 108.46 2k0b n TYR 38 Ca -0.07 0.63 -0.43 0.00 -0.16 0.00 0.00 57.90 57.87 2k0b n TYR 38 Cb 0.59 -3.78 -0.02 0.00 -0.31 0.00 0.00 39.34 35.82 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 -3.57 6.84 0.00 7.72 2.15 -1.11 -4.83 116.67 123.88 2k0b s ASP 39 Ca 0.41 1.31 0.26 0.00 0.43 0.00 0.00 52.55 54.96 2k0b s ASP 39 Cb -0.11 -2.54 0.71 0.00 -0.30 0.00 0.00 42.92 40.68 2k0b s ASP 39 CO 0.82 -0.91 1.54 2.30 -0.17 0.00 0.00 175.17 178.74 2k0b n ILE 40 N 5.83 0.00 0.11 4.11 -0.00 -1.26 -2.19 119.36 125.96 2k0b n ILE 40 Ca 0.14 -0.13 -0.19 0.00 -0.00 0.00 0.00 62.75 62.57 2k0b n ILE 40 Cb 0.46 0.44 -0.15 0.00 -0.00 0.00 0.00 39.64 40.40 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 4.92 0.40 0.44 3.28 0.00 -1.97 -3.22 103.07 106.93 2k0b h GLY 41 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.29 2k0b h GLY 41 CO 0.00 0.90 -1.58 0.00 0.00 0.00 0.00 176.54 175.86 2k0b n ALA 42 N -2.60 2.62 -0.11 3.60 0.00 -1.25 -4.13 120.51 118.64 2k0b n ALA 42 Ca -0.11 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2k0b n ALA 42 Cb 1.05 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 1.95 0.45 0.00 0.00 0.00 -1.54 -2.70 119.26 117.42 2k0b h ALA 43 Ca -0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2k0b h ALA 43 Cb 1.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k0b h ALA 43 CO 0.00 0.15 -0.29 -0.07 0.00 0.00 0.00 179.25 179.04 2k0b h LEU 44 N 0.39 0.00 -1.67 0.00 4.07 -1.74 -1.77 115.31 114.59 2k0b h LEU 44 Ca 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 2k0b h LEU 44 Cb 0.36 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2k0b h LEU 44 CO 0.01 0.29 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.71 2k0b h ASP 45 N 0.00 0.00 0.16 -0.43 3.58 -1.64 -1.32 116.42 116.77 2k0b h ASP 45 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k0b h ASP 45 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k0b h ASP 45 CO 0.04 0.17 -1.46 0.35 -2.88 0.00 0.00 179.24 175.46 2k0b n THR 46 N -4.26 0.08 -0.05 2.25 -2.24 -0.71 -4.05 114.28 105.29 2k0b n THR 46 Ca -0.02 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 2k0b n THR 46 Cb 0.24 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.02 1.53 0.00 2.28 -5.35 -0.94 -4.64 119.36 110.23 2k0b n ILE 47 Ca -0.00 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 2k0b n ILE 47 Cb 0.48 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 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 -2.96 0.00 -0.69 6.28 3.00 -1.18 -4.82 117.38 117.02 2k0b n GLN 48 Ca -0.24 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.60 2k0b n GLN 48 Cb 1.09 0.00 0.12 0.00 0.00 0.00 0.00 30.24 31.45 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 -1.70 -3.64 -2.86 1.08 4.01 -0.51 -5.02 117.16 108.52 2k0b n TYR 49 Ca 0.00 -0.54 -0.00 0.00 -0.16 0.00 0.00 57.90 57.19 2k0b n TYR 49 Cb 0.00 -0.57 0.01 0.00 -0.31 0.00 0.00 39.34 38.47 2k0b n TYR 49 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2k0b s SER 50 N -3.19 -0.81 0.00 7.72 0.15 -1.26 -4.29 113.70 112.02 2k0b s SER 50 Ca 0.38 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2k0b s SER 50 Cb -0.03 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2k0b s SER 50 CO 0.28 -0.07 0.00 0.29 1.20 0.00 0.00 173.24 174.94 2k0b n LYS 51 N 3.54 0.00 -0.63 5.44 4.76 -1.26 -5.08 118.16 124.93 2k0b n LYS 51 Ca 0.10 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2k0b n LYS 51 Cb 0.61 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2k0b n LYS 51 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61