#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ik7 h ALA 82 N 0.00 0.99 0.05 -1.46 0.00 -2.05 -2.30 119.26 114.49 1ik7 h ALA 82 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1ik7 h ALA 82 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ik7 h ALA 82 CO 0.00 0.08 -0.95 1.03 0.00 0.00 0.00 179.25 179.41 1ik7 h SER 83 N 0.00 0.75 0.63 0.00 0.87 -2.05 -2.55 113.55 111.19 1ik7 h SER 83 Ca -0.00 -0.79 -0.11 0.00 -1.23 0.00 0.00 61.79 59.65 1ik7 h SER 83 Cb 0.70 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1ik7 h SER 83 CO 0.01 1.45 -0.53 0.78 -0.53 0.00 0.00 176.83 178.02 1ik7 h ASN 84 N 0.13 0.00 -0.55 6.23 4.21 -1.97 -1.67 115.58 121.95 1ik7 h ASN 84 Ca -0.13 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.26 1ik7 h ASN 84 Cb 1.65 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.83 1ik7 h ASN 84 CO 0.18 0.53 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.69 1ik7 h GLU 85 N 0.00 1.04 0.03 0.81 4.57 -1.44 -2.08 114.58 117.52 1ik7 h GLU 85 Ca -0.01 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1ik7 h GLU 85 Cb 0.98 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1ik7 h GLU 85 CO 0.07 1.07 -0.02 0.35 -1.18 0.00 0.00 179.01 179.30 1ik7 h PHE 86 N 0.93 -0.04 0.00 0.92 3.57 -1.15 -2.70 116.94 118.46 1ik7 h PHE 86 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ik7 h PHE 86 Cb 0.65 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1ik7 h PHE 86 CO 0.04 0.25 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.23 1ik7 h LEU 87 N -0.33 0.00 0.09 0.59 3.38 -1.24 0.16 115.31 117.95 1ik7 h LEU 87 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1ik7 h LEU 87 Cb 0.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ik7 h LEU 87 CO 0.01 0.07 -0.95 0.78 0.09 0.00 0.00 178.44 178.43 1ik7 h ASN 88 N 0.00 0.68 -0.38 -0.43 2.35 -1.32 -1.48 115.58 115.00 1ik7 h ASN 88 Ca -0.00 -0.84 -0.13 0.00 -0.55 0.00 0.00 56.30 54.79 1ik7 h ASN 88 Cb 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1ik7 h ASN 88 CO 0.01 1.45 -0.24 0.40 -1.65 0.00 0.00 177.43 177.39 1ik7 h ILE 89 N 0.01 1.27 -0.17 2.81 1.08 -1.13 -2.64 117.51 118.73 1ik7 h ILE 89 Ca -0.14 -1.39 -0.04 0.00 -0.39 0.00 0.00 64.86 62.89 1ik7 h ILE 89 Cb 1.67 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1ik7 h ILE 89 CO 0.18 0.47 -0.05 -0.25 -0.69 0.00 0.00 178.15 177.81 1ik7 h TRP 90 N 0.76 0.39 -0.68 1.37 7.01 -0.75 -2.59 115.95 121.45 1ik7 h TRP 90 Ca 0.10 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1ik7 h TRP 90 Cb 0.80 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.73 1ik7 h TRP 90 CO 0.05 0.62 0.45 0.78 -2.79 0.00 0.00 178.44 177.55 1ik7 h GLY 91 N 0.04 0.95 0.91 2.65 0.00 -1.24 0.13 103.07 106.50 1ik7 h GLY 91 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1ik7 h GLY 91 CO 0.02 0.30 -0.16 -1.33 0.00 0.00 0.00 176.54 175.37 1ik7 h GLY 92 N 0.85 0.67 1.15 4.60 0.00 -1.40 -0.58 103.07 108.36 1ik7 h GLY 92 Ca 0.27 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1ik7 h GLY 92 CO -0.07 0.55 0.24 1.46 0.00 0.00 0.00 176.54 178.72 1ik7 h GLN 93 N 0.36 1.07 -0.18 4.80 4.20 -1.03 -1.44 115.11 122.90 1ik7 h GLN 93 Ca 0.06 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1ik7 h GLN 93 Cb 0.68 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1ik7 h GLN 93 CO 0.05 0.90 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.16 1ik7 h TYR 94 N 1.04 0.37 -0.57 2.96 3.20 -0.90 -1.82 116.97 121.24 1ik7 h TYR 94 Ca 0.23 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ik7 h TYR 94 Cb 0.26 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1ik7 h TYR 94 CO 0.02 0.57 0.30 -0.91 -1.64 0.00 0.00 178.16 176.51 1ik7 h ASN 95 N 0.06 0.72 -0.27 -2.11 2.35 -0.94 -0.92 115.58 114.47 1ik7 h ASN 95 Ca 0.05 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1ik7 h ASN 95 Cb 0.44 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1ik7 h ASN 95 CO 0.01 0.62 -0.03 0.45 -1.65 0.00 0.00 177.43 176.84 1ik7 h HIS 96 N 0.77 0.65 -0.31 1.19 3.86 -1.23 -1.05 115.15 119.03 1ik7 h HIS 96 Ca 0.20 -0.08 -0.15 0.00 -1.16 0.00 0.00 60.37 59.18 1ik7 h HIS 96 Cb 0.06 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1ik7 h HIS 96 CO -0.01 0.64 -0.38 1.15 0.86 0.00 0.00 177.93 180.19 1ik7 h THR 97 N 0.58 1.29 -0.26 2.45 2.02 -1.00 -1.80 112.91 116.19 1ik7 h THR 97 Ca 0.12 -1.56 -0.11 0.00 0.77 0.00 0.00 66.41 65.62 1ik7 h THR 97 Cb 0.41 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1ik7 h THR 97 CO 0.02 0.51 -0.32 0.58 0.37 0.00 0.00 175.52 176.68 1ik7 h VAL 98 N 0.57 1.28 -0.49 3.16 2.07 -0.98 -1.75 116.25 120.10 1ik7 h VAL 98 Ca 0.04 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.03 1ik7 h VAL 98 Cb 0.97 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1ik7 h VAL 98 CO 0.09 0.45 -0.14 1.56 0.02 0.00 0.00 177.57 179.55 1ik7 h GLN 99 N 0.47 0.94 -0.65 1.57 4.20 -1.12 -1.29 115.11 119.24 1ik7 h GLN 99 Ca 0.06 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 1ik7 h GLN 99 Cb 0.78 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1ik7 h GLN 99 CO 0.06 1.02 0.21 1.15 -0.67 0.00 0.00 178.83 180.60 1ik7 h THR 100 N 0.83 1.25 -0.47 -0.54 2.02 -1.11 -0.91 112.91 113.98 1ik7 h THR 100 Ca 0.13 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1ik7 h THR 100 Cb 0.69 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1ik7 h THR 100 CO 0.05 0.32 0.23 0.25 0.37 0.00 0.00 175.52 176.74 1ik7 h LEU 101 N 0.93 0.62 -0.76 2.58 5.85 -0.97 -1.03 115.31 122.53 1ik7 h LEU 101 Ca 0.21 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1ik7 h LEU 101 Cb 0.29 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ik7 h LEU 101 CO -0.01 0.57 0.07 -0.26 -0.34 0.00 0.00 178.44 178.48 1ik7 h PHE 102 N 0.62 1.08 -0.28 1.25 0.04 -1.00 -1.57 116.94 117.07 1ik7 h PHE 102 Ca 0.16 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1ik7 h PHE 102 Cb 0.12 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 1ik7 h PHE 102 CO -0.01 0.93 -0.05 0.00 -0.60 0.00 0.00 178.31 178.58 1ik7 h ALA 103 N 1.12 1.39 -0.31 2.45 0.00 -0.80 -1.56 119.26 121.55 1ik7 h ALA 103 Ca 0.19 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ik7 h ALA 103 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ik7 h ALA 103 CO 0.02 0.42 -0.40 -0.07 0.00 0.00 0.00 179.25 179.21 1ik7 h LEU 104 N 0.43 0.80 -0.54 0.00 3.38 -0.57 -2.12 115.31 116.68 1ik7 h LEU 104 Ca 0.09 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1ik7 h LEU 104 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ik7 h LEU 104 CO 0.02 1.11 0.17 -0.26 0.09 0.00 0.00 178.44 179.56 1ik7 h PHE 105 N 0.61 0.88 -0.72 1.13 0.04 -0.80 -1.74 116.94 116.35 1ik7 h PHE 105 Ca 0.05 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1ik7 h PHE 105 Cb 0.96 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 1ik7 h PHE 105 CO 0.05 0.75 0.47 0.87 -0.60 0.00 0.00 178.31 179.85 1ik7 h LYS 106 N 0.76 0.93 -0.61 1.51 1.57 -1.21 -0.66 116.57 118.86 1ik7 h LYS 106 Ca 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1ik7 h LYS 106 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1ik7 h LYS 106 CO -0.00 0.62 0.26 -0.22 -0.57 0.00 0.00 179.45 179.53 1ik7 h LYS 107 N 0.96 0.88 -0.27 3.15 3.64 -1.03 -0.33 116.57 123.57 1ik7 h LYS 107 Ca 0.27 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1ik7 h LYS 107 Cb -0.09 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1ik7 h LYS 107 CO -0.07 0.71 -0.42 1.25 -2.27 0.00 0.00 179.45 178.66 1ik7 h LEU 108 N 0.87 0.84 -0.70 5.20 5.85 -0.81 -2.09 115.31 124.47 1ik7 h LEU 108 Ca 0.21 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1ik7 h LEU 108 Cb 0.15 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1ik7 h LEU 108 CO -0.02 1.19 0.18 0.11 -0.34 0.00 0.00 178.44 179.56 1ik7 h LYS 109 N 0.51 1.12 -0.50 1.25 1.57 -0.75 -0.84 116.57 118.93 1ik7 h LYS 109 Ca 0.02 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1ik7 h LYS 109 Cb 1.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1ik7 h LYS 109 CO 0.10 0.98 0.12 1.25 -0.57 0.00 0.00 179.45 181.32 1ik7 h LEU 110 N 1.05 0.77 -0.35 2.94 5.85 -1.06 -0.07 115.31 124.45 1ik7 h LEU 110 Ca 0.22 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ik7 h LEU 110 Cb 0.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1ik7 h LEU 110 CO 0.00 0.81 0.22 -0.74 -0.34 0.00 0.00 178.44 178.39 1ik7 h HIS 111 N 0.70 0.44 -0.61 1.25 2.76 -1.10 -0.54 115.15 118.05 1ik7 h HIS 111 Ca 0.16 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1ik7 h HIS 111 Cb 0.34 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1ik7 h HIS 111 CO 0.02 0.29 0.18 -0.91 -1.30 0.00 0.00 177.93 176.21 1ik7 h ASN 112 N 0.46 0.90 -0.59 3.26 2.35 -0.94 -1.94 115.58 119.08 1ik7 h ASN 112 Ca 0.13 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1ik7 h ASN 112 Cb -0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1ik7 h ASN 112 CO -0.03 0.88 0.14 0.00 -1.65 0.00 0.00 177.43 176.77 1ik7 h ALA 113 N 1.06 0.78 -0.30 -0.83 0.00 -0.78 -2.00 119.26 117.19 1ik7 h ALA 113 Ca 0.20 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ik7 h ALA 113 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ik7 h ALA 113 CO -0.00 0.49 -0.30 0.52 0.00 0.00 0.00 179.25 179.95 1ik7 h MET 114 N 0.85 0.64 -0.41 0.00 2.86 -0.99 -1.39 114.93 116.49 1ik7 h MET 114 Ca 0.19 -0.28 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1ik7 h MET 114 Cb 0.35 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1ik7 h MET 114 CO 0.00 0.86 -0.19 -0.09 1.06 0.00 0.00 176.91 178.55 1ik7 h ARG 115 N 0.54 0.80 -0.11 1.72 1.12 -1.23 -1.22 114.38 116.01 1ik7 h ARG 115 Ca 0.07 -0.31 -0.02 0.00 -1.11 0.00 0.00 59.98 58.61 1ik7 h ARG 115 Cb 0.79 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.70 1ik7 h ARG 115 CO 0.06 0.93 -0.01 1.25 -3.11 0.00 0.00 179.97 179.10 1ik7 h LEU 116 N 0.71 0.20 -0.75 3.80 7.12 -1.16 -2.01 115.31 123.22 1ik7 h LEU 116 Ca 0.10 -0.32 -0.03 0.00 0.13 0.00 0.00 57.88 57.77 1ik7 h LEU 116 Cb 0.70 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.74 1ik7 h LEU 116 CO 0.05 0.47 0.37 0.40 -0.13 0.00 0.00 178.44 179.60 1ik7 h ILE 117 N -0.08 1.24 -0.25 4.05 2.04 -1.17 -1.31 117.51 122.03 1ik7 h ILE 117 Ca 0.03 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1ik7 h ILE 117 Cb 0.37 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1ik7 h ILE 117 CO 0.01 0.28 -0.20 0.11 0.00 0.00 0.00 178.15 178.35 1ik7 h LYS 118 N 1.05 0.45 -0.34 2.37 1.57 -1.15 -0.59 116.57 119.93 1ik7 h LYS 118 Ca 0.26 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1ik7 h LYS 118 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ik7 h LYS 118 CO -0.03 0.64 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.83 1ik7 h ASP 119 N 0.41 0.78 -0.52 0.86 3.32 -0.96 -2.05 116.42 118.27 1ik7 h ASP 119 Ca 0.07 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1ik7 h ASP 119 Cb 0.59 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ik7 h ASP 119 CO 0.04 1.04 -0.06 1.88 -1.72 0.00 0.00 179.24 180.42 1ik7 h TYR 120 N 0.52 1.06 -0.66 4.55 0.99 -0.96 -0.89 116.97 121.58 1ik7 h TYR 120 Ca 0.07 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.58 1ik7 h TYR 120 Cb 0.77 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 38.20 1ik7 h TYR 120 CO 0.06 0.99 0.35 0.28 -0.00 0.00 0.00 178.16 179.85 1ik7 h VAL 121 N 0.82 1.21 -0.71 -2.88 2.07 -1.11 -0.99 116.25 114.67 1ik7 h VAL 121 Ca 0.14 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1ik7 h VAL 121 Cb 0.61 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1ik7 h VAL 121 CO 0.04 0.23 0.26 -1.28 0.02 0.00 0.00 177.57 176.85 1ik7 h SER 122 N 0.90 0.99 -0.82 0.57 0.87 -1.16 -1.53 113.55 113.38 1ik7 h SER 122 Ca 0.23 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1ik7 h SER 122 Cb 0.05 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 1ik7 h SER 122 CO -0.04 0.91 0.35 -0.08 -0.53 0.00 0.00 176.83 177.44 1ik7 h GLU 123 N 1.02 1.21 -0.18 2.24 4.81 -0.69 -1.92 114.58 121.06 1ik7 h GLU 123 Ca 0.23 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ik7 h GLU 123 Cb 0.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ik7 h GLU 123 CO -0.02 0.96 0.04 -0.44 -0.73 0.00 0.00 179.01 178.82 1ik7 h ASP 124 N 1.18 0.28 0.99 1.04 3.45 -0.73 -3.11 116.42 119.52 1ik7 h ASP 124 Ca 0.28 -0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1ik7 h ASP 124 Cb 0.19 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1ik7 h ASP 124 CO -0.03 0.45 0.00 -0.07 -1.57 0.00 0.00 179.24 178.03 1ik7 h LEU 125 N 0.10 0.00 -1.75 1.55 3.38 -1.16 -3.17 115.31 114.26 1ik7 h LEU 125 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ik7 h LEU 125 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ik7 h LEU 125 CO 0.00 0.00 0.22 -0.74 0.09 0.00 0.00 178.44 178.01 1ik7 h HIS 126 N 0.00 0.31 0.00 1.13 2.76 -1.27 -1.82 115.15 116.26 1ik7 h HIS 126 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ik7 h HIS 126 Cb 0.49 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1ik7 h HIS 126 CO 0.00 0.18 0.00 0.36 -1.30 0.00 0.00 177.93 177.17 1ik7 n LYS 127 N -4.49 0.92 -0.59 5.26 2.85 -1.20 -3.23 118.16 117.68 1ik7 n LYS 127 Ca 0.03 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.36 1ik7 n LYS 127 Cb 0.16 -1.47 0.29 0.00 -0.65 0.00 0.00 35.03 33.36 1ik7 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ik7 n TYR 128 N -0.97 1.28 -0.31 5.58 4.02 -0.68 -5.20 117.16 120.87 1ik7 n TYR 128 Ca 0.21 -0.92 0.00 0.00 -0.01 0.00 0.00 57.90 57.18 1ik7 n TYR 128 Cb 0.10 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 1ik7 n TYR 128 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29