#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 5.71 0.36 1.61 0.01 -1.26 -5.01 113.70 115.12 2k0b s SER 2 Ca 0.00 -2.08 -0.25 0.00 1.31 0.00 0.00 55.95 54.93 2k0b s SER 2 Cb 0.00 -2.00 -0.09 0.00 0.21 0.00 0.00 66.02 64.13 2k0b s SER 2 CO 0.00 -0.64 1.01 -2.84 0.41 0.00 0.00 173.24 171.17 2k0b s PRO 3 N 1.11 4.39 0.00 12.44 0.02 -1.26 -4.86 135.00 146.83 2k0b s PRO 3 Ca 0.08 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.54 2k0b s PRO 3 Cb -0.24 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.59 2k0b s PRO 3 CO -0.02 0.07 1.13 -0.35 -0.33 0.00 0.00 177.00 177.50 2k0b n PRO 4 N 0.28 0.72 -0.61 5.54 -0.04 -1.26 -1.36 135.00 138.27 2k0b n PRO 4 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 2k0b n PRO 4 Cb 0.50 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.20 0.00 0.00 0.54 2.13 -1.26 -4.91 120.64 118.34 2k0b n GLU 5 Ca 0.00 -0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.51 2k0b n GLU 5 Cb 0.36 0.17 0.00 0.00 0.27 0.00 0.00 31.44 32.24 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 0.00 -1.89 4.31 0.00 -0.84 -4.85 120.51 117.24 2k0b n ALA 6 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2k0b n ALA 6 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 7.07 0.61 0.00 2.15 -0.46 -4.56 116.67 121.47 2k0b s ASP 7 Ca 0.00 1.64 0.27 0.00 0.43 0.00 0.00 52.55 54.89 2k0b s ASP 7 Cb 0.00 -2.51 1.22 0.00 -0.30 0.00 0.00 42.92 41.33 2k0b s ASP 7 CO 0.00 -0.18 1.63 -0.65 -0.17 0.00 0.00 175.17 175.80 2k0b h PRO 8 N 2.62 0.00 0.00 4.34 0.11 -1.98 1.03 132.00 138.13 2k0b h PRO 8 Ca -0.48 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 2k0b h PRO 8 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2k0b h PRO 8 CO 0.64 0.00 -1.90 0.54 -0.21 0.00 0.00 178.00 177.07 2k0b n ARG 9 N -3.41 0.65 0.01 1.05 1.74 -1.26 -4.28 116.66 111.16 2k0b n ARG 9 Ca 0.13 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.47 2k0b n ARG 9 Cb 1.01 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.86 0.39 0.00 0.55 4.77 0.11 -3.04 117.00 116.93 2k0b n LEU 10 Ca -0.20 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2k0b n LEU 10 Cb 1.01 -0.02 0.43 0.00 -2.33 0.00 0.00 43.42 42.51 2k0b n LEU 10 CO 0.44 0.04 0.80 0.00 -1.33 0.00 0.00 177.39 177.34 2k0b n ILE 11 N -2.09 0.61 -0.06 -0.08 3.06 0.32 0.54 119.36 121.66 2k0b n ILE 11 Ca -0.01 0.15 -0.05 0.00 -2.50 0.00 0.00 62.75 60.35 2k0b n ILE 11 Cb 0.49 -0.83 -0.02 0.00 0.54 0.00 0.00 39.64 39.83 2k0b n ILE 11 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2k0b n GLU 12 N -1.44 0.35 0.01 9.51 1.02 -1.24 -4.24 120.64 124.62 2k0b n GLU 12 Ca 0.06 0.35 -0.04 0.00 -0.02 0.00 0.00 57.16 57.50 2k0b n GLU 12 Cb 0.20 -1.36 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 2k0b n GLU 12 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k0b n SER 13 N -3.98 0.88 -0.08 1.62 7.64 -1.17 -3.15 113.62 115.37 2k0b n SER 13 Ca -0.07 0.40 -0.22 0.00 1.01 0.00 0.00 58.87 59.99 2k0b n SER 13 Cb 0.26 0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.97 2.40 0.27 -3.43 0.00 0.57 -4.10 117.00 109.73 2k0b n LEU 14 Ca -0.13 0.21 0.18 0.00 0.00 0.00 0.00 56.01 56.26 2k0b n LEU 14 Cb 0.95 -0.98 0.80 0.00 0.00 0.00 0.00 43.42 44.19 2k0b n LEU 14 CO 0.44 0.68 1.02 -1.28 0.00 0.00 0.00 177.39 178.25 2k0b h SER 15 N -0.41 0.00 -0.43 1.96 0.87 -0.09 -1.66 113.55 113.78 2k0b h SER 15 Ca -0.50 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 2k0b h SER 15 Cb 1.74 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.69 2k0b h SER 15 CO -0.13 0.00 0.13 -0.61 -0.53 0.00 0.00 176.83 175.70 2k0b h GLN 16 N 0.00 0.67 -0.32 2.24 -0.00 -1.69 0.01 115.11 116.02 2k0b h GLN 16 Ca 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 58.65 58.35 2k0b h GLN 16 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 2k0b h GLN 16 CO 0.00 0.66 -0.41 0.52 0.00 0.00 0.00 178.83 179.60 2k0b h MET 17 N 0.56 0.79 -0.22 1.69 2.86 -1.49 -1.57 114.93 117.55 2k0b h MET 17 Ca 0.14 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2k0b h MET 17 Cb 0.26 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2k0b h MET 17 CO -0.00 1.05 0.03 -0.07 1.06 0.00 0.00 176.91 178.98 2k0b h LEU 18 N 0.64 0.28 0.14 1.22 4.07 -1.04 0.28 115.31 120.90 2k0b h LEU 18 Ca 0.05 -0.03 -0.20 0.00 0.08 0.00 0.00 57.88 57.78 2k0b h LEU 18 Cb 0.97 -0.07 0.02 0.00 1.08 0.00 0.00 40.66 42.66 2k0b h LEU 18 CO 0.09 0.31 -0.89 -1.28 -1.08 0.00 0.00 178.44 175.59 2k0b h SER 19 N 0.31 0.47 0.77 -0.43 0.87 -0.78 -3.37 113.55 111.39 2k0b h SER 19 Ca 0.07 -0.94 -0.22 0.00 -1.23 0.00 0.00 61.79 59.47 2k0b h SER 19 Cb 0.16 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2k0b h SER 19 CO -0.00 1.42 -1.02 0.24 -0.53 0.00 0.00 176.83 176.94 2k0b h MET 20 N -0.35 0.13 0.00 2.24 2.86 -1.17 -3.48 114.93 115.16 2k0b h MET 20 Ca -0.16 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2k0b h MET 20 Cb 1.67 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.40 2k0b h MET 20 CO 0.15 1.04 0.00 0.41 1.06 0.00 0.00 176.91 179.57 2k0b n GLY 21 N 1.24 0.84 3.35 8.32 0.00 0.37 -5.09 105.19 114.22 2k0b n GLY 21 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.95 1.66 0.00 1.61 0.08 0.71 -5.03 117.98 116.06 2k0b s PHE 22 Ca 0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 2k0b s PHE 22 Cb 0.00 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.56 2k0b s PHE 22 CO 0.00 0.17 0.00 0.43 -0.10 0.00 0.00 175.22 175.72 2k0b n SER 23 N -0.42 0.00 -4.71 1.36 7.64 -1.26 -4.03 113.62 112.20 2k0b n SER 23 Ca -0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.46 2k0b n SER 23 Cb 0.62 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.74 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 1.00 6.19 -1.11 6.43 -4.77 -1.26 -4.88 116.67 118.27 2k0b s ASP 24 Ca 0.00 0.21 -0.07 0.00 -3.30 0.00 0.00 52.55 49.38 2k0b s ASP 24 Cb 0.00 -2.10 -0.06 0.00 -1.09 0.00 0.00 42.92 39.67 2k0b s ASP 24 CO 0.00 0.13 2.93 1.21 0.70 0.00 0.00 175.17 180.14 2k0b n GLU 25 N 3.80 3.46 0.00 2.11 4.07 -1.26 -4.58 120.64 128.24 2k0b n GLU 25 Ca -0.15 -2.30 0.00 0.00 -0.06 0.00 0.00 57.16 54.65 2k0b n GLU 25 Cb 0.52 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 2k0b n GLU 25 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k0b n GLY 26 N 2.61 1.47 0.66 8.31 0.00 -1.26 -4.78 105.19 112.21 2k0b n GLY 26 Ca 0.65 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.08 0.03 -0.02 0.00 -1.26 -4.98 105.19 98.88 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 0.00 0.34 1.61 4.27 -1.26 -4.21 117.44 118.19 2k0b n TRP 28 Ca -0.10 0.00 0.23 0.00 -3.89 0.00 0.00 57.50 53.74 2k0b n TRP 28 Cb 0.41 -0.10 1.21 0.00 -1.36 0.00 0.00 31.31 31.47 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 0.13 0.00 0.02 5.67 5.85 -1.93 0.86 115.31 125.90 2k0b h LEU 29 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 2k0b h LEU 29 Cb 0.51 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2k0b h LEU 29 CO 0.00 0.00 -1.85 0.35 -0.34 0.00 0.00 178.44 176.60 2k0b n THR 30 N -3.07 1.56 0.38 1.05 -2.24 -1.26 -4.16 114.28 106.54 2k0b n THR 30 Ca -0.03 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 2k0b n THR 30 Cb 0.08 -1.91 -0.07 0.00 -2.10 0.00 0.00 70.33 66.33 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 -0.79 -0.94 -0.36 -0.78 2.47 -1.42 -1.71 114.38 110.85 2k0b h ARG 31 Ca -0.49 0.06 0.08 0.00 -1.26 0.00 0.00 59.98 58.37 2k0b h ARG 31 Cb 1.54 0.21 -0.08 0.00 -1.65 0.00 0.00 29.97 29.99 2k0b h ARG 31 CO -0.23 -0.63 -0.22 1.25 0.56 0.00 0.00 179.97 180.70 2k0b h LEU 32 N -1.14 -0.74 0.77 3.04 7.12 0.43 -2.25 115.31 122.54 2k0b h LEU 32 Ca -0.10 0.15 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 2k0b h LEU 32 Cb 0.75 0.38 0.01 0.00 -0.53 0.00 0.00 40.66 41.26 2k0b h LEU 32 CO 0.16 -0.25 -0.37 -0.07 -0.13 0.00 0.00 178.44 177.78 2k0b h LEU 33 N -0.17 -0.88 -0.79 2.25 3.38 -1.64 -2.93 115.31 114.53 2k0b h LEU 33 Ca 0.18 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2k0b h LEU 33 Cb 0.45 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 2k0b h LEU 33 CO -0.46 -0.61 -0.38 -0.61 0.09 0.00 0.00 178.44 176.47 2k0b h GLN 34 N -1.08 -0.09 0.00 1.13 5.75 -1.15 0.97 115.11 120.65 2k0b h GLN 34 Ca -0.11 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 2k0b h GLN 34 Cb 0.79 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 2k0b h GLN 34 CO 0.17 -0.06 -0.20 1.79 -2.65 0.00 0.00 178.83 177.89 2k0b h THR 35 N -0.09 0.62 -0.88 2.39 1.35 -1.49 -2.75 112.91 112.06 2k0b h THR 35 Ca 0.27 -0.90 -0.58 0.00 -0.55 0.00 0.00 66.41 64.65 2k0b h THR 35 Cb 0.57 1.59 -0.30 0.00 -1.73 0.00 0.00 68.15 68.27 2k0b h THR 35 CO -0.83 0.19 0.42 0.29 -0.25 0.00 0.00 175.52 175.34 2k0b n LYS 36 N -3.54 2.71 -4.41 4.72 5.02 -0.02 -4.91 118.16 117.73 2k0b n LYS 36 Ca -0.01 -3.41 -0.39 0.00 -2.02 0.00 0.00 58.31 52.49 2k0b n LYS 36 Cb 0.35 -2.22 -0.07 0.00 -0.02 0.00 0.00 35.03 33.07 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 -0.94 -1.75 -2.65 4.39 6.94 -0.92 -2.23 115.26 118.10 2k0b n ASN 37 Ca 0.56 -1.18 -0.04 0.00 -0.02 0.00 0.00 54.58 53.89 2k0b n ASN 37 Cb 0.92 -1.95 0.02 0.00 -2.36 0.00 0.00 39.78 36.40 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 -4.23 -1.96 -3.71 -2.53 4.01 0.32 -4.97 117.16 104.08 2k0b n TYR 38 Ca 0.03 0.73 -0.37 0.00 -0.16 0.00 0.00 57.90 58.12 2k0b n TYR 38 Cb 0.51 -3.45 -0.12 0.00 -0.31 0.00 0.00 39.34 35.96 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 -2.92 5.41 0.00 7.72 2.15 -0.95 -4.81 116.67 123.28 2k0b s ASP 39 Ca 0.12 -0.14 0.27 0.00 0.43 0.00 0.00 52.55 53.23 2k0b s ASP 39 Cb -0.02 -1.98 0.91 0.00 -0.30 0.00 0.00 42.92 41.53 2k0b s ASP 39 CO 0.52 -0.04 1.66 2.30 -0.17 0.00 0.00 175.17 179.45 2k0b n ILE 40 N 4.94 0.00 -0.23 4.11 -0.00 -1.26 -2.82 119.36 124.10 2k0b n ILE 40 Ca -0.16 -0.15 -0.08 0.00 -0.00 0.00 0.00 62.75 62.37 2k0b n ILE 40 Cb 0.52 0.34 0.03 0.00 -0.00 0.00 0.00 39.64 40.53 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 1.11 0.10 3.28 0.00 -1.98 -0.39 103.07 110.10 2k0b h GLY 41 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 2k0b h GLY 41 CO 0.00 0.66 -1.91 0.00 0.00 0.00 0.00 176.54 175.29 2k0b n ALA 42 N -2.44 2.75 0.10 3.60 0.00 -1.25 -4.21 120.51 119.06 2k0b n ALA 42 Ca 0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.91 2k0b n ALA 42 Cb 0.26 -0.77 0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 1.97 0.72 0.00 0.00 0.00 -1.46 -3.01 119.26 117.48 2k0b h ALA 43 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2k0b h ALA 43 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k0b h ALA 43 CO 0.00 0.86 0.00 -0.07 0.00 0.00 0.00 179.25 180.04 2k0b h LEU 44 N 0.08 0.00 -1.11 0.00 4.07 -1.24 -2.47 115.31 114.65 2k0b h LEU 44 Ca -0.02 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 2k0b h LEU 44 Cb 1.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 2k0b h LEU 44 CO 0.11 0.00 -0.37 -0.78 -1.08 0.00 0.00 178.44 176.32 2k0b h ASP 45 N 0.00 0.00 0.35 -0.43 1.82 -1.54 -2.46 116.42 114.16 2k0b h ASP 45 Ca 0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 2k0b h ASP 45 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 2k0b h ASP 45 CO 0.00 0.37 -1.76 0.35 -1.61 0.00 0.00 179.24 176.59 2k0b n THR 46 N -3.69 0.68 -0.80 2.25 -2.24 -1.07 -2.93 114.28 106.49 2k0b n THR 46 Ca -0.01 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 2k0b n THR 46 Cb 0.47 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.59 2.54 -0.77 2.28 -6.64 -0.95 -4.68 119.36 108.55 2k0b n ILE 47 Ca -0.11 -1.27 0.00 0.00 -1.77 0.00 0.00 62.75 59.60 2k0b n ILE 47 Cb 0.75 -1.54 0.00 0.00 -1.44 0.00 0.00 39.64 37.42 2k0b n ILE 47 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k0b n GLN 48 N 1.23 0.00 -3.33 6.28 6.02 -1.26 -4.96 117.38 121.36 2k0b n GLN 48 Ca 0.21 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.94 2k0b n GLN 48 Cb 0.60 -2.21 -0.07 0.00 1.02 0.00 0.00 30.24 29.58 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 -2.58 3.25 -0.73 1.08 4.02 -0.93 -4.92 117.16 116.35 2k0b n TYR 49 Ca 0.00 -4.07 -0.06 0.00 -0.01 0.00 0.00 57.90 53.75 2k0b n TYR 49 Cb 0.00 -0.53 -0.05 0.00 -0.02 0.00 0.00 39.34 38.74 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 0.75 5.44 -3.79 7.72 7.64 -1.15 -3.40 113.62 126.83 2k0b n SER 50 Ca 0.29 -2.51 -0.30 0.00 1.01 0.00 0.00 58.87 57.36 2k0b n SER 50 Cb 0.42 -1.22 -0.14 0.00 -1.01 0.00 0.00 64.21 62.26 2k0b n SER 50 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k0b s LYS 51 N 0.12 1.37 0.00 1.43 -0.14 -1.26 -5.06 119.74 116.20 2k0b s LYS 51 Ca 0.26 -2.00 0.16 0.00 -1.36 0.00 0.00 55.97 53.03 2k0b s LYS 51 Cb 0.14 -2.57 0.13 0.00 -1.68 0.00 0.00 37.83 33.84 2k0b s LYS 51 CO -0.01 -1.11 1.01 1.58 -0.76 0.00 0.00 175.35 176.07