#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 7.06 0.05 1.61 0.01 -1.26 -5.01 113.70 116.15 2k0b s SER 2 Ca 0.00 1.31 -0.31 0.00 1.31 0.00 0.00 55.95 58.27 2k0b s SER 2 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2k0b s SER 2 CO 0.00 -0.72 1.27 -2.16 0.41 0.00 0.00 173.24 172.04 2k0b s PRO 3 N 3.31 4.37 0.00 12.44 0.04 -1.26 -4.90 135.00 149.00 2k0b s PRO 3 Ca 0.45 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2k0b s PRO 3 Cb -0.14 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2k0b s PRO 3 CO 0.08 -0.37 0.41 -2.30 0.04 0.00 0.00 177.00 174.86 2k0b n PRO 4 N 4.36 0.58 -0.40 0.56 -0.02 -1.26 -0.87 135.00 137.95 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 0.45 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.41 0.00 -0.13 -0.52 1.02 -1.26 -4.83 120.64 115.33 2k0b n GLU 5 Ca 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 2k0b n GLU 5 Cb 0.21 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 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 0.75 -1.94 0.62 0.00 -0.78 -4.65 120.51 114.50 2k0b n ALA 6 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2k0b n ALA 6 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 7.03 0.54 0.00 2.15 -0.05 -4.56 116.67 121.78 2k0b s ASP 7 Ca 0.00 2.35 0.41 0.00 0.43 0.00 0.00 52.55 55.74 2k0b s ASP 7 Cb 0.00 -2.62 1.39 0.00 -0.30 0.00 0.00 42.92 41.40 2k0b s ASP 7 CO 0.00 -0.39 1.39 -2.65 -0.17 0.00 0.00 175.17 173.35 2k0b n PRO 8 N 2.04 0.00 -0.10 4.34 -0.02 -1.26 0.10 135.00 140.10 2k0b n PRO 8 Ca 0.03 1.00 -0.21 0.00 -2.02 0.00 0.00 63.50 62.30 2k0b n PRO 8 Cb 0.44 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 2k0b n PRO 8 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k0b n ARG 9 N -3.59 0.56 0.12 -0.52 5.12 -1.26 -4.40 116.66 112.69 2k0b n ARG 9 Ca 0.36 0.56 0.13 0.00 -1.93 0.00 0.00 57.85 56.97 2k0b n ARG 9 Cb 1.77 -1.73 0.40 0.00 -1.16 0.00 0.00 32.46 31.73 2k0b n ARG 9 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2k0b h LEU 10 N -1.00 0.00 -1.25 0.55 3.38 -0.60 0.25 115.31 116.64 2k0b h LEU 10 Ca -0.35 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 2k0b h LEU 10 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2k0b h LEU 10 CO -0.21 0.00 -0.28 -0.29 0.09 0.00 0.00 178.44 177.74 2k0b h ILE 11 N 0.00 0.80 0.02 1.22 2.10 0.47 0.72 117.51 122.84 2k0b h ILE 11 Ca 0.00 -1.17 -0.38 0.00 1.08 0.00 0.00 64.86 64.39 2k0b h ILE 11 Cb 0.73 1.72 -0.05 0.00 -1.09 0.00 0.00 36.82 38.12 2k0b h ILE 11 CO 0.00 0.28 -2.13 -0.62 -1.08 0.00 0.00 178.15 174.59 2k0b n GLU 12 N -3.61 0.63 -0.00 2.19 1.02 -1.06 -4.13 120.64 115.67 2k0b n GLU 12 Ca -0.01 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.30 2k0b n GLU 12 Cb 0.41 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.58 0.18 0.04 1.62 0.02 -0.48 -3.23 113.55 111.14 2k0b h SER 13 Ca -0.54 -0.40 -0.38 0.00 -0.84 0.00 0.00 61.79 59.63 2k0b h SER 13 Cb 1.68 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 64.11 2k0b h SER 13 CO -0.21 1.35 -2.24 -0.11 -1.14 0.00 0.00 176.83 174.49 2k0b n LEU 14 N -3.24 2.68 0.17 5.07 0.00 0.20 -4.23 117.00 117.64 2k0b n LEU 14 Ca -0.22 0.07 0.13 0.00 0.00 0.00 0.00 56.01 55.99 2k0b n LEU 14 Cb 1.05 -0.98 0.52 0.00 0.00 0.00 0.00 43.42 44.01 2k0b n LEU 14 CO 0.45 0.83 0.89 -1.28 0.00 0.00 0.00 177.39 178.27 2k0b h SER 15 N -0.15 0.00 0.67 1.96 0.87 0.18 -1.73 113.55 115.34 2k0b h SER 15 Ca -0.52 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.01 2k0b h SER 15 Cb 1.87 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 2k0b h SER 15 CO -0.07 0.00 -0.44 -0.61 -0.53 0.00 0.00 176.83 175.17 2k0b h GLN 16 N 0.00 -1.02 0.00 2.24 -0.00 -1.73 -1.40 115.11 113.20 2k0b h GLN 16 Ca 0.00 0.07 -0.05 0.00 -0.00 0.00 0.00 58.65 58.67 2k0b h GLN 16 Cb 0.45 0.23 -0.01 0.00 0.00 0.00 0.00 27.48 28.16 2k0b h GLN 16 CO 0.00 -0.68 -0.48 0.00 0.00 0.00 0.00 178.83 177.67 2k0b h MET 17 N -1.06 0.00 -0.29 1.69 -0.00 -1.78 -2.25 114.93 111.24 2k0b h MET 17 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.53 2k0b h MET 17 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.45 2k0b h MET 17 CO 0.06 0.18 -0.18 1.25 -0.00 0.00 0.00 176.91 178.22 2k0b h LEU 18 N 0.00 0.51 0.01 -0.10 5.85 -1.19 -0.49 115.31 119.90 2k0b h LEU 18 Ca -0.02 -0.15 -0.38 0.00 0.84 0.00 0.00 57.88 58.17 2k0b h LEU 18 Cb 1.18 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 2k0b h LEU 18 CO 0.02 0.70 -2.37 -1.20 -0.34 0.00 0.00 178.44 175.26 2k0b n SER 19 N -4.16 1.28 0.12 1.25 7.64 -0.54 -4.48 113.62 114.72 2k0b n SER 19 Ca 0.00 -0.03 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 2k0b n SER 19 Cb 0.36 0.04 0.26 0.00 -1.01 0.00 0.00 64.21 63.86 2k0b n SER 19 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2k0b h MET 20 N 0.01 0.18 0.00 1.43 1.85 -1.47 -3.47 114.93 113.46 2k0b h MET 20 Ca -0.54 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 58.47 2k0b h MET 20 Cb 2.03 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 34.06 2k0b h MET 20 CO -0.03 0.54 0.00 0.41 -0.40 0.00 0.00 176.91 177.44 2k0b n GLY 21 N -0.29 0.91 1.74 1.39 0.00 -1.05 -5.07 105.19 102.83 2k0b n GLY 21 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2k0b n GLY 21 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k0b n PHE 22 N 0.00 -0.74 -2.90 1.61 3.72 -0.22 -5.07 117.46 113.86 2k0b n PHE 22 Ca 0.00 -1.09 0.00 0.00 -0.05 0.00 0.00 57.45 56.31 2k0b n PHE 22 Cb 0.00 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 2k0b n PHE 22 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k0b n SER 23 N -1.76 0.00 -4.24 4.37 7.64 -1.26 -4.75 113.62 113.61 2k0b n SER 23 Ca -0.03 -0.13 -0.34 0.00 1.01 0.00 0.00 58.87 59.38 2k0b n SER 23 Cb 0.29 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.95 3.81 0.57 6.43 -1.08 -1.26 -4.93 116.67 121.16 2k0b s ASP 24 Ca 0.00 -0.48 0.29 0.00 -0.52 0.00 0.00 52.55 51.84 2k0b s ASP 24 Cb 0.00 -1.62 1.71 0.00 -1.46 0.00 0.00 42.92 41.55 2k0b s ASP 24 CO 0.00 0.01 2.20 1.05 0.52 0.00 0.00 175.17 178.95 2k0b h GLU 25 N 7.88 0.00 0.00 4.34 4.11 -1.88 -3.43 114.58 125.60 2k0b h GLU 25 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2k0b h GLU 25 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k0b h GLU 25 CO 0.61 0.04 0.00 0.41 0.07 0.00 0.00 179.01 180.14 2k0b n GLY 26 N -1.11 0.00 0.00 1.06 0.00 -1.26 -4.98 105.19 98.91 2k0b n GLY 26 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.11 0.13 -0.02 0.00 -1.26 -5.06 105.19 100.09 2k0b n GLY 27 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.30 0.30 1.61 4.27 -1.26 -3.73 117.44 118.93 2k0b n TRP 28 Ca 0.00 0.06 0.17 0.00 -3.89 0.00 0.00 57.50 53.84 2k0b n TRP 28 Cb 0.00 -1.04 0.67 0.00 -1.36 0.00 0.00 31.31 29.58 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 0.02 0.00 0.01 5.67 5.85 -1.97 0.90 115.31 125.79 2k0b h LEU 29 Ca -0.54 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 57.84 2k0b h LEU 29 Cb 1.93 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.91 2k0b h LEU 29 CO -0.05 0.00 -2.06 1.07 -0.34 0.00 0.00 178.44 177.06 2k0b n THR 30 N -2.95 1.52 -0.06 1.05 5.66 -1.26 -4.52 114.28 113.71 2k0b n THR 30 Ca 0.01 -0.81 -0.06 0.00 -3.05 0.00 0.00 64.05 60.14 2k0b n THR 30 Cb 0.29 -0.84 -0.02 0.00 -1.55 0.00 0.00 70.33 68.21 2k0b n THR 30 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2k0b n ARG 31 N -2.95 0.39 0.06 1.09 0.63 -0.78 -4.40 116.66 110.69 2k0b n ARG 31 Ca -0.26 0.27 -0.11 0.00 -0.92 0.00 0.00 57.85 56.83 2k0b n ARG 31 Cb 1.10 -1.32 -0.07 0.00 0.45 0.00 0.00 32.46 32.62 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 -0.77 -1.10 -0.45 6.15 7.12 0.60 -2.53 115.31 124.32 2k0b h LEU 32 Ca 0.00 0.12 0.06 0.00 0.13 0.00 0.00 57.88 58.19 2k0b h LEU 32 Cb 0.63 0.41 -0.09 0.00 -0.53 0.00 0.00 40.66 41.09 2k0b h LEU 32 CO 0.00 -0.37 -0.52 -0.07 -0.13 0.00 0.00 178.44 177.35 2k0b h LEU 33 N -0.49 -1.74 -0.36 2.25 3.38 -1.76 -1.01 115.31 115.57 2k0b h LEU 33 Ca 0.00 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2k0b h LEU 33 Cb 0.51 0.73 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 2k0b h LEU 33 CO -0.21 -0.38 -0.51 1.56 0.09 0.00 0.00 178.44 178.98 2k0b h GLN 34 N -0.35 -0.39 0.00 1.13 1.08 -1.75 0.73 115.11 115.56 2k0b h GLN 34 Ca 0.10 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2k0b h GLN 34 Cb 0.59 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2k0b h GLN 34 CO -0.62 -0.26 -0.11 1.79 -0.95 0.00 0.00 178.83 178.69 2k0b h THR 35 N -0.40 0.93 -0.73 -0.54 1.35 -1.07 -1.53 112.91 110.91 2k0b h THR 35 Ca 0.09 -0.39 -0.49 0.00 -0.55 0.00 0.00 66.41 65.08 2k0b h THR 35 Cb 0.61 1.22 -0.21 0.00 -1.73 0.00 0.00 68.15 68.03 2k0b h THR 35 CO -0.56 0.11 0.63 0.29 -0.25 0.00 0.00 175.52 175.73 2k0b n LYS 36 N -4.20 2.21 -3.69 4.72 4.01 -0.42 -4.88 118.16 115.91 2k0b n LYS 36 Ca -0.03 -2.39 -0.21 0.00 -0.51 0.00 0.00 58.31 55.17 2k0b n LYS 36 Cb 0.19 -1.94 -0.04 0.00 -0.51 0.00 0.00 35.03 32.73 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 -0.30 -0.36 -3.32 4.39 2.04 -0.58 -0.90 115.26 116.22 2k0b n ASN 37 Ca 0.46 -0.76 -0.16 0.00 -0.44 0.00 0.00 54.58 53.68 2k0b n ASN 37 Cb 0.67 -0.94 0.08 0.00 -2.53 0.00 0.00 39.78 37.06 2k0b n ASN 37 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 2k0b n TYR 38 N -3.21 -2.36 -4.17 -2.53 4.01 0.24 -4.98 117.16 104.17 2k0b n TYR 38 Ca -0.15 0.89 -0.34 0.00 -0.16 0.00 0.00 57.90 58.13 2k0b n TYR 38 Cb 0.39 -4.50 -0.12 0.00 -0.31 0.00 0.00 39.34 34.80 2k0b n TYR 38 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2k0b s ASP 39 N -3.77 5.08 0.00 7.72 1.01 -0.08 -4.81 116.67 121.82 2k0b s ASP 39 Ca 0.28 -0.09 0.29 0.00 0.71 0.00 0.00 52.55 53.75 2k0b s ASP 39 Cb -0.04 -1.86 1.34 0.00 1.01 0.00 0.00 42.92 43.38 2k0b s ASP 39 CO 0.74 0.13 1.92 2.30 0.21 0.00 0.00 175.17 180.47 2k0b n ILE 40 N 3.79 0.00 -0.02 0.77 -0.00 -1.26 -2.82 119.36 119.82 2k0b n ILE 40 Ca -0.17 -0.07 -0.08 0.00 -0.00 0.00 0.00 62.75 62.42 2k0b n ILE 40 Cb 0.52 -0.10 0.08 0.00 -0.00 0.00 0.00 39.64 40.15 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 4.96 0.67 0.09 3.28 0.00 -1.95 -2.94 103.07 107.17 2k0b h GLY 41 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2k0b h GLY 41 CO 0.00 0.61 -1.19 0.00 0.00 0.00 0.00 176.54 175.96 2k0b n ALA 42 N -2.51 4.19 0.12 3.60 0.00 -1.24 -4.45 120.51 120.22 2k0b n ALA 42 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 2k0b n ALA 42 Cb 0.53 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 2.75 -0.34 -0.81 0.00 0.00 -1.35 -2.60 119.26 116.91 2k0b h ALA 43 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k0b h ALA 43 Cb 0.62 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2k0b h ALA 43 CO 0.00 -0.72 0.45 -0.07 0.00 0.00 0.00 179.25 178.91 2k0b h LEU 44 N -0.38 1.00 -0.63 0.00 4.07 -1.77 -2.87 115.31 114.73 2k0b h LEU 44 Ca 0.01 -0.08 0.11 0.00 0.08 0.00 0.00 57.88 58.01 2k0b h LEU 44 Cb 0.38 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.78 2k0b h LEU 44 CO -0.08 0.80 0.19 -0.78 -1.08 0.00 0.00 178.44 177.49 2k0b h ASP 45 N 1.13 0.11 0.51 -0.43 1.82 -1.62 0.27 116.42 118.21 2k0b h ASP 45 Ca 0.29 0.10 -0.25 0.00 -0.39 0.00 0.00 57.03 56.78 2k0b h ASP 45 Cb 0.01 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2k0b h ASP 45 CO -0.05 0.06 -1.10 0.71 -1.61 0.00 0.00 179.24 177.25 2k0b h THR 46 N 0.33 1.46 0.00 2.25 1.35 -1.27 -2.74 112.91 114.29 2k0b h THR 46 Ca 0.33 -2.79 -0.18 0.00 -0.55 0.00 0.00 66.41 63.23 2k0b h THR 46 Cb 0.48 2.71 -0.03 0.00 -1.73 0.00 0.00 68.15 69.58 2k0b h THR 46 CO -0.38 0.82 -1.89 2.30 -0.25 0.00 0.00 175.52 176.12 2k0b n ILE 47 N -3.63 0.88 0.00 6.82 -5.35 -1.15 -4.79 119.36 112.14 2k0b n ILE 47 Ca -0.07 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 2k0b n ILE 47 Cb 0.94 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 -2.65 0.63 -2.29 6.28 3.00 -0.96 -4.83 117.38 116.57 2k0b n GLN 48 Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.44 2k0b n GLN 48 Cb 0.85 -0.16 0.03 0.00 0.00 0.00 0.00 30.24 30.96 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 -0.33 2.94 0.70 1.08 4.02 0.91 -4.67 117.16 121.81 2k0b n TYR 49 Ca 0.00 -2.51 0.08 0.00 -0.01 0.00 0.00 57.90 55.47 2k0b n TYR 49 Cb 0.00 -1.13 0.24 0.00 -0.02 0.00 0.00 39.34 38.43 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 -0.32 2.32 -4.01 7.72 7.64 -1.03 -4.10 113.62 121.84 2k0b n SER 50 Ca 0.50 -1.93 -0.22 0.00 1.01 0.00 0.00 58.87 58.22 2k0b n SER 50 Cb 0.26 -0.25 -0.16 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.50 1.26 0.00 1.43 -0.14 -1.26 -5.08 119.74 114.45 2k0b s LYS 51 Ca 0.31 -0.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.61 2k0b s LYS 51 Cb 0.17 -1.12 0.03 0.00 -1.68 0.00 0.00 37.83 35.22 2k0b s LYS 51 CO 0.23 0.08 0.61 1.58 -0.76 0.00 0.00 175.35 177.08