#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 6.81 0.27 1.61 1.04 -1.26 -5.05 113.70 117.13 2k0b s SER 2 Ca 0.00 0.97 -0.30 0.00 0.48 0.00 0.00 55.95 57.09 2k0b s SER 2 Cb 0.00 -2.28 -0.11 0.00 0.10 0.00 0.00 66.02 63.73 2k0b s SER 2 CO 0.00 0.22 1.62 -2.84 0.98 0.00 0.00 173.24 173.22 2k0b s PRO 3 N -0.58 4.13 0.00 4.02 0.02 -1.26 -4.82 135.00 136.50 2k0b s PRO 3 Ca 0.25 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2k0b s PRO 3 Cb -0.17 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.32 2k0b s PRO 3 CO 0.13 -0.65 0.50 -2.30 -0.33 0.00 0.00 177.00 174.34 2k0b n PRO 4 N 2.59 0.69 -0.17 5.54 -0.02 -1.26 -1.01 135.00 141.35 2k0b n PRO 4 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2k0b n PRO 4 Cb 0.37 -1.26 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 0.39 1.98 0.00 0.00 175.50 177.87 2k0b n GLU 5 N 0.37 0.00 -0.52 -0.52 1.02 -1.26 -4.80 120.64 114.93 2k0b n GLU 5 Ca 0.00 -0.64 -0.01 0.00 -0.02 0.00 0.00 57.16 56.49 2k0b n GLU 5 Cb 0.25 -0.47 -0.01 0.00 -0.02 0.00 0.00 31.44 31.18 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 1.98 -1.78 0.62 0.00 -0.72 -4.55 120.51 116.06 2k0b n ALA 6 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 2k0b n ALA 6 Cb 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.15 6.81 0.60 0.00 2.15 -0.18 -4.57 116.67 121.33 2k0b s ASP 7 Ca 0.00 2.00 0.29 0.00 0.43 0.00 0.00 52.55 55.27 2k0b s ASP 7 Cb 0.00 -2.58 1.10 0.00 -0.30 0.00 0.00 42.92 41.14 2k0b s ASP 7 CO 0.00 -0.45 1.46 -0.65 -0.17 0.00 0.00 175.17 175.36 2k0b h PRO 8 N 2.52 0.00 0.08 4.34 0.11 -1.98 0.72 132.00 137.79 2k0b h PRO 8 Ca -0.48 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.26 2k0b h PRO 8 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2k0b h PRO 8 CO 0.62 0.00 -2.13 0.54 -0.21 0.00 0.00 178.00 176.82 2k0b n ARG 9 N -3.39 0.72 0.04 1.05 5.12 -1.26 -4.38 116.66 114.55 2k0b n ARG 9 Ca 0.21 0.22 0.11 0.00 -1.93 0.00 0.00 57.85 56.47 2k0b n ARG 9 Cb 1.36 -1.65 -0.09 0.00 -1.16 0.00 0.00 32.46 30.92 2k0b n ARG 9 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k0b n LEU 10 N -3.37 0.39 0.25 0.55 4.77 0.96 -0.37 117.00 120.19 2k0b n LEU 10 Ca -0.35 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2k0b n LEU 10 Cb 1.03 -0.03 0.66 0.00 -2.33 0.00 0.00 43.42 42.76 2k0b n LEU 10 CO 0.38 -0.07 0.93 -0.29 -1.33 0.00 0.00 177.39 177.01 2k0b h ILE 11 N 0.00 0.57 0.00 -0.08 -0.00 -0.01 0.31 117.51 118.30 2k0b h ILE 11 Ca 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 64.86 64.18 2k0b h ILE 11 Cb 0.98 1.45 0.00 0.00 -0.00 0.00 0.00 36.82 39.24 2k0b h ILE 11 CO 0.00 0.14 -0.61 -0.62 -0.00 0.00 0.00 178.15 177.06 2k0b n GLU 12 N -3.58 0.38 0.19 2.19 1.02 -1.23 -4.16 120.64 115.45 2k0b n GLU 12 Ca -0.01 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.51 2k0b n GLU 12 Cb 0.28 -1.33 0.12 0.00 -0.02 0.00 0.00 31.44 30.50 2k0b n GLU 12 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2k0b h SER 13 N -0.77 0.00 0.04 1.62 0.02 -0.75 -1.73 113.55 111.98 2k0b h SER 13 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2k0b h SER 13 Cb 0.61 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2k0b h SER 13 CO 0.00 0.12 -1.86 -0.11 -1.14 0.00 0.00 176.83 173.85 2k0b n LEU 14 N -3.09 2.24 0.23 5.07 7.94 0.06 -4.21 117.00 125.23 2k0b n LEU 14 Ca 0.03 0.28 0.09 0.00 -1.11 0.00 0.00 56.01 55.29 2k0b n LEU 14 Cb 0.58 -0.98 0.53 0.00 0.53 0.00 0.00 43.42 44.08 2k0b n LEU 14 CO 0.36 0.58 0.84 -1.28 -1.11 0.00 0.00 177.39 176.78 2k0b h SER 15 N -0.56 0.00 -0.26 1.96 0.87 -0.61 -1.95 113.55 113.00 2k0b h SER 15 Ca -0.46 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.16 2k0b h SER 15 Cb 1.65 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.54 2k0b h SER 15 CO -0.15 0.24 -0.19 -0.61 -0.53 0.00 0.00 176.83 175.59 2k0b h GLN 16 N 0.00 -0.17 0.00 2.24 -0.00 -1.48 -1.87 115.11 113.83 2k0b h GLN 16 Ca -0.00 0.01 -0.19 0.00 -0.00 0.00 0.00 58.65 58.47 2k0b h GLN 16 Cb 0.56 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.05 2k0b h GLN 16 CO 0.03 -0.11 -1.39 0.00 0.00 0.00 0.00 178.83 177.36 2k0b h MET 17 N -0.18 0.00 0.00 1.69 -0.00 -1.74 -3.28 114.93 111.43 2k0b h MET 17 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 2k0b h MET 17 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 2k0b h MET 17 CO -0.36 0.37 0.00 -0.07 -0.00 0.00 0.00 176.91 176.85 2k0b h LEU 18 N 0.00 0.00 0.00 -0.10 3.38 -1.19 0.57 115.31 117.98 2k0b h LEU 18 Ca -0.17 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2k0b h LEU 18 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2k0b h LEU 18 CO 0.06 0.00 -1.55 -1.54 0.09 0.00 0.00 178.44 175.50 2k0b n SER 19 N -2.72 0.47 0.01 -0.43 3.41 -0.72 -4.27 113.62 109.37 2k0b n SER 19 Ca 0.02 0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2k0b n SER 19 Cb 0.31 1.02 -0.14 0.00 -0.26 0.00 0.00 64.21 65.15 2k0b n SER 19 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2k0b h MET 20 N 0.00 0.06 0.00 4.33 2.86 -1.56 -3.48 114.93 117.13 2k0b h MET 20 Ca -0.07 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2k0b h MET 20 Cb 1.19 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2k0b h MET 20 CO 0.01 0.75 0.00 0.41 1.06 0.00 0.00 176.91 179.14 2k0b n GLY 21 N 1.56 1.44 3.56 8.32 0.00 -0.72 -5.11 105.19 114.24 2k0b n GLY 21 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 2.76 0.28 1.61 0.08 0.11 -5.05 117.98 115.77 2k0b s PHE 22 Ca 0.00 -0.13 0.05 0.00 0.12 0.00 0.00 56.93 56.97 2k0b s PHE 22 Cb 0.00 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 2k0b s PHE 22 CO 0.00 0.37 0.18 0.43 -0.10 0.00 0.00 175.22 176.10 2k0b n SER 23 N 1.21 0.05 -4.68 1.36 7.64 -1.26 -4.14 113.62 113.81 2k0b n SER 23 Ca -0.15 -2.71 -0.43 0.00 1.01 0.00 0.00 58.87 56.60 2k0b n SER 23 Cb 0.52 1.13 -0.02 0.00 -1.01 0.00 0.00 64.21 64.83 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 -2.87 7.17 0.25 6.43 1.47 -1.26 -4.79 116.67 123.06 2k0b s ASP 24 Ca 0.26 1.50 0.00 0.00 1.18 0.00 0.00 52.55 55.49 2k0b s ASP 24 Cb 0.01 -2.55 0.30 0.00 -0.34 0.00 0.00 42.92 40.34 2k0b s ASP 24 CO 0.18 -0.55 1.65 -0.08 0.68 0.00 0.00 175.17 177.05 2k0b h GLU 25 N 7.30 0.53 0.00 2.11 4.57 -1.98 -3.34 114.58 123.76 2k0b h GLU 25 Ca -0.26 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2k0b h GLU 25 Cb 1.11 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2k0b h GLU 25 CO 0.91 0.80 -0.51 0.41 -1.18 0.00 0.00 179.01 179.43 2k0b n GLY 26 N -0.17 0.53 0.87 1.92 0.00 -1.26 -4.98 105.19 102.10 2k0b n GLY 26 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.01 0.91 0.04 -0.02 0.00 -1.25 -4.97 105.19 99.90 2k0b n GLY 27 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.39 0.37 0.31 1.61 4.27 -1.26 -3.79 117.44 116.56 2k0b n TRP 28 Ca 0.00 0.11 0.20 0.00 -3.89 0.00 0.00 57.50 53.92 2k0b n TRP 28 Cb 0.07 -0.52 1.02 0.00 -1.36 0.00 0.00 31.31 30.52 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 0.00 5.67 5.85 -1.91 1.03 115.31 125.95 2k0b h LEU 29 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2k0b h LEU 29 Cb 0.68 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2k0b h LEU 29 CO 0.00 0.01 -1.69 1.07 -0.34 0.00 0.00 178.44 177.50 2k0b n THR 30 N -3.21 1.05 -0.04 1.05 5.66 -1.25 -4.51 114.28 113.04 2k0b n THR 30 Ca -0.02 -0.70 -0.03 0.00 -3.05 0.00 0.00 64.05 60.25 2k0b n THR 30 Cb 0.15 -0.58 -0.01 0.00 -1.55 0.00 0.00 70.33 68.34 2k0b n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k0b n ARG 31 N -2.77 0.23 -0.37 1.09 5.12 0.66 -4.46 116.66 116.16 2k0b n ARG 31 Ca -0.13 0.21 -0.02 0.00 -1.93 0.00 0.00 57.85 55.98 2k0b n ARG 31 Cb 0.86 -1.03 0.02 0.00 -1.16 0.00 0.00 32.46 31.15 2k0b n ARG 31 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2k0b n LEU 32 N -3.36 -0.67 0.23 0.55 -0.00 0.32 -2.16 117.00 111.91 2k0b n LEU 32 Ca -0.05 1.67 -0.15 0.00 -0.00 0.00 0.00 56.01 57.48 2k0b n LEU 32 Cb 0.19 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 43.17 2k0b n LEU 32 CO 0.08 -1.48 0.52 -0.07 -0.00 0.00 0.00 177.39 176.43 2k0b h LEU 33 N 0.00 -1.17 -0.90 -1.96 3.38 -1.79 -3.25 115.31 109.61 2k0b h LEU 33 Ca 0.31 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.50 2k0b h LEU 33 Cb 0.55 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2k0b h LEU 33 CO -0.94 -0.55 -0.41 0.00 0.09 0.00 0.00 178.44 176.64 2k0b n GLN 34 N -4.96 -0.27 0.00 1.13 1.13 -0.92 0.61 117.38 114.10 2k0b n GLN 34 Ca -0.10 1.39 0.13 0.00 -1.94 0.00 0.00 57.00 56.48 2k0b n GLN 34 Cb 0.38 -2.05 0.72 0.00 0.11 0.00 0.00 30.24 29.39 2k0b n GLN 34 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k0b n THR 35 N -5.27 0.09 -0.03 5.09 -2.24 -1.21 -3.51 114.28 107.20 2k0b n THR 35 Ca 0.07 0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2k0b n THR 35 Cb 0.32 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.12 2.12 0.00 -0.78 5.02 -0.52 -4.98 118.16 117.89 2k0b n LYS 36 Ca 0.16 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2k0b n LYS 36 Cb 0.14 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.14 0.00 -2.07 4.39 0.23 -0.88 -4.79 115.26 110.00 2k0b n ASN 37 Ca -0.09 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.90 2k0b n ASN 37 Cb 0.59 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.32 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 0.00 -0.90 -3.71 -2.53 4.02 0.20 -4.96 117.16 109.28 2k0b n TYR 38 Ca 0.00 0.34 -0.36 0.00 -0.01 0.00 0.00 57.90 57.87 2k0b n TYR 38 Cb 0.00 -3.14 -0.09 0.00 -0.02 0.00 0.00 39.34 36.09 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 -3.29 6.02 0.00 7.72 2.15 -1.23 -4.77 116.67 123.28 2k0b s ASP 39 Ca 0.11 0.11 0.26 0.00 0.43 0.00 0.00 52.55 53.45 2k0b s ASP 39 Cb -0.01 -2.08 0.61 0.00 -0.30 0.00 0.00 42.92 41.14 2k0b s ASP 39 CO 0.28 0.09 1.48 2.30 -0.17 0.00 0.00 175.17 179.15 2k0b n ILE 40 N 4.14 0.00 -0.21 4.11 -0.00 -1.26 -2.85 119.36 123.30 2k0b n ILE 40 Ca -0.15 -0.03 0.01 0.00 -0.00 0.00 0.00 62.75 62.57 2k0b n ILE 40 Cb 0.52 0.25 0.26 0.00 -0.00 0.00 0.00 39.64 40.67 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 4.98 1.03 0.09 3.28 0.00 -2.01 0.14 103.07 110.59 2k0b h GLY 41 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2k0b h GLY 41 CO 0.00 0.38 -1.97 0.00 0.00 0.00 0.00 176.54 174.95 2k0b n ALA 42 N -2.42 2.61 0.05 3.60 0.00 -1.25 -4.23 120.51 118.86 2k0b n ALA 42 Ca 0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 2k0b n ALA 42 Cb 0.03 -0.71 0.23 0.00 0.00 0.00 0.00 19.45 19.01 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 1.86 1.16 -0.03 0.00 0.00 -1.28 -2.65 119.26 118.31 2k0b h ALA 43 Ca -0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2k0b h ALA 43 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2k0b h ALA 43 CO 0.00 0.54 -0.18 -0.07 0.00 0.00 0.00 179.25 179.54 2k0b h LEU 44 N 0.35 0.05 -1.05 0.00 4.07 -0.90 -1.24 115.31 116.58 2k0b h LEU 44 Ca 0.05 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.07 2k0b h LEU 44 Cb 0.66 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.32 2k0b h LEU 44 CO 0.05 0.23 0.63 -0.78 -1.08 0.00 0.00 178.44 177.49 2k0b h ASP 45 N 0.05 1.00 0.14 -0.43 3.58 -1.54 -2.31 116.42 116.91 2k0b h ASP 45 Ca 0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k0b h ASP 45 Cb 0.35 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k0b h ASP 45 CO 0.02 0.64 -0.40 0.35 -2.88 0.00 0.00 179.24 176.98 2k0b n THR 46 N -4.49 0.00 -1.64 2.25 -2.24 -0.57 -2.61 114.28 104.98 2k0b n THR 46 Ca 0.15 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 2k0b n THR 46 Cb 0.19 0.75 0.06 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.52 3.47 -1.95 2.28 -5.35 -0.62 -4.53 119.36 112.14 2k0b n ILE 47 Ca 0.10 -3.60 0.00 0.00 -0.27 0.00 0.00 62.75 58.98 2k0b n ILE 47 Cb 0.39 -1.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.10 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 -0.75 0.00 -3.06 6.28 3.00 -1.25 -4.98 117.38 116.62 2k0b n GLN 48 Ca 0.57 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.40 2k0b n GLN 48 Cb 0.54 -2.84 -0.01 0.00 0.00 0.00 0.00 30.24 27.93 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 -3.20 0.11 -0.76 1.08 4.01 -0.97 -4.95 117.16 112.48 2k0b n TYR 49 Ca 0.00 -3.51 -0.04 0.00 -0.16 0.00 0.00 57.90 54.19 2k0b n TYR 49 Cb 0.45 -0.25 0.28 0.00 -0.31 0.00 0.00 39.34 39.51 2k0b n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2k0b n SER 50 N 0.21 4.59 -3.82 7.72 3.41 -1.07 -3.64 113.62 121.03 2k0b n SER 50 Ca 0.21 -3.03 -0.30 0.00 -0.26 0.00 0.00 58.87 55.48 2k0b n SER 50 Cb 0.69 -0.71 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 2k0b n SER 50 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k0b s LYS 51 N -2.66 1.44 0.00 4.33 2.20 -1.26 -5.09 119.74 118.70 2k0b s LYS 51 Ca 0.48 -2.07 0.17 0.00 -0.36 0.00 0.00 55.97 54.20 2k0b s LYS 51 Cb 0.38 -2.68 0.14 0.00 -1.51 0.00 0.00 37.83 34.16 2k0b s LYS 51 CO 0.12 -1.10 1.05 0.72 -0.36 0.00 0.00 175.35 175.78