#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ike s SER 72 N 0.00 7.00 0.08 1.96 1.04 -1.26 0.11 113.70 122.63 2ike s SER 72 Ca 0.00 1.22 0.08 0.00 0.48 0.00 0.00 55.95 57.73 2ike s SER 72 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 2ike s SER 72 CO 0.00 -0.33 -0.21 0.00 0.98 0.00 0.00 173.24 173.68 2ike s LEU 74 N -1.63 4.11 0.99 0.00 1.02 -1.26 -1.47 118.68 120.44 2ike s LEU 74 Ca 0.07 0.50 -0.12 0.00 0.02 0.00 0.00 54.13 54.59 2ike s LEU 74 Cb -0.10 -2.56 0.18 0.00 0.02 0.00 0.00 46.19 43.74 2ike s LEU 74 CO 0.03 -0.15 1.08 0.42 0.02 0.00 0.00 176.35 177.75 2ike s THR 75 N 1.70 2.28 0.60 5.49 -4.23 -0.83 -4.74 115.64 115.90 2ike s THR 75 Ca 0.19 0.09 0.29 0.00 -1.18 0.00 0.00 61.69 61.08 2ike s THR 75 Cb -0.15 -2.46 0.38 0.00 1.34 0.00 0.00 72.50 71.60 2ike s THR 75 CO 0.09 -0.12 1.86 -0.65 -0.54 0.00 0.00 174.62 175.25 2ike h PRO 76 N -1.92 0.00 -0.61 3.99 0.11 -1.92 1.06 132.00 132.70 2ike h PRO 76 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2ike h PRO 76 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2ike h PRO 76 CO 0.54 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 2ike n ASP 77 N -3.62 3.28 -2.55 -2.05 9.92 -1.26 -4.93 116.55 115.34 2ike n ASP 77 Ca 0.09 -2.00 -0.16 0.00 -0.53 0.00 0.00 54.79 52.18 2ike n ASP 77 Cb 0.71 -0.41 0.05 0.00 -0.64 0.00 0.00 41.12 40.83 2ike n ASP 77 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2ike n ASN 78 N 1.30 -4.97 -4.76 -2.24 3.02 0.37 -5.01 115.26 102.97 2ike n ASN 78 Ca 0.21 -0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 2ike n ASN 78 Cb 0.52 -3.59 -0.08 0.00 -0.61 0.00 0.00 39.78 36.02 2ike n ASN 78 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ike s LYS 79 N -5.83 4.04 0.03 3.52 2.20 -1.25 -4.79 119.74 117.68 2ike s LYS 79 Ca 0.38 -0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 2ike s LYS 79 Cb -0.17 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 2ike s LYS 79 CO 0.47 0.39 1.93 -0.35 -0.36 0.00 0.00 175.35 177.43 2ike n PRO 80 N 3.21 2.72 -0.38 4.03 -0.04 -1.26 -1.97 135.00 141.31 2ike n PRO 80 Ca -0.17 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2ike n PRO 80 Cb 0.53 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2ike n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ike n GLY 81 N 4.44 4.12 3.11 0.55 0.00 -0.54 -4.88 105.19 112.00 2ike n GLY 81 Ca 0.20 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2ike n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ike s LYS 82 N 0.30 0.78 -0.18 1.61 1.02 0.22 -1.42 119.74 122.08 2ike s LYS 82 Ca 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 2ike s LYS 82 Cb 0.00 -0.74 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2ike s LYS 82 CO 0.00 0.18 -0.03 0.00 -0.92 0.00 0.00 175.35 174.58 2ike s VAL 84 N 0.82 0.24 1.16 0.00 -7.23 0.23 -3.38 120.40 112.24 2ike s VAL 84 Ca -0.01 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.58 2ike s VAL 84 Cb -0.14 -0.97 0.20 0.00 0.56 0.00 0.00 36.38 36.02 2ike s VAL 84 CO 0.02 -0.75 0.44 0.59 -0.31 0.00 0.00 175.10 175.09 2ike n ASN 85 N 0.78 -2.22 -3.04 4.85 3.02 -1.26 -1.65 115.26 115.75 2ike n ASN 85 Ca -0.18 -0.19 -0.33 0.00 -0.03 0.00 0.00 54.58 53.85 2ike n ASN 85 Cb 0.58 -1.07 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 2ike n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ike n ILE 86 N -4.74 4.19 -2.14 2.41 0.00 -1.23 -3.54 119.36 114.31 2ike n ILE 86 Ca 0.01 -2.75 -0.01 0.00 0.00 0.00 0.00 62.75 60.01 2ike n ILE 86 Cb 0.59 -2.33 0.01 0.00 0.00 0.00 0.00 39.64 37.91 2ike n ILE 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2ike n LYS 87 N 2.83 0.18 0.00 9.51 4.01 -1.26 -5.01 118.16 128.42 2ike n LYS 87 Ca 0.67 -0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 2ike n LYS 87 Cb 0.39 0.27 0.00 0.00 -0.51 0.00 0.00 35.03 35.18 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2ike n LYS 88 N -0.21 0.00 -2.29 1.97 4.81 -1.23 -5.08 118.16 116.13 2ike n LYS 88 Ca -0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.96 2ike n LYS 88 Cb 0.49 -0.10 -0.03 0.00 0.02 0.00 0.00 35.03 35.41 2ike n LYS 88 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ike h THR 90 N 5.17 0.96 -0.92 0.00 1.35 -1.98 -1.75 112.91 115.75 2ike h THR 90 Ca -0.34 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.57 2ike h THR 90 Cb 1.16 0.96 -0.06 0.00 -1.73 0.00 0.00 68.15 68.48 2ike h THR 90 CO 0.92 0.00 0.60 -0.74 -0.25 0.00 0.00 175.52 176.05 2ike h HIS 91 N 0.00 1.09 -0.45 4.73 6.17 -2.00 -1.29 115.15 123.40 2ike h HIS 91 Ca 0.03 0.03 -0.13 0.00 0.71 0.00 0.00 60.37 61.01 2ike h HIS 91 Cb 0.13 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 2ike h HIS 91 CO 0.00 0.60 -0.22 -0.07 0.71 0.00 0.00 177.93 178.95 2ike h LEU 92 N 1.10 0.94 -1.21 0.26 -0.00 -1.72 -2.51 115.31 112.17 2ike h LEU 92 Ca 0.38 -0.35 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 2ike h LEU 92 Cb 0.11 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 2ike h LEU 92 CO -0.13 1.12 -0.12 0.00 -0.00 0.00 0.00 178.44 179.30 2ike h ALA 93 N 0.95 1.35 -0.26 1.53 0.00 -1.28 -1.46 119.26 120.08 2ike h ALA 93 Ca 0.10 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2ike h ALA 93 Cb 0.77 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ike h ALA 93 CO 0.06 0.44 -0.51 0.93 0.00 0.00 0.00 179.25 180.17 2ike h GLU 94 N 0.37 0.75 -0.16 0.00 5.08 -1.06 -2.39 114.58 117.16 2ike h GLU 94 Ca 0.07 -0.45 -0.14 0.00 -1.00 0.00 0.00 59.36 57.83 2ike h GLU 94 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2ike h GLU 94 CO 0.03 1.08 -0.51 0.82 -1.00 0.00 0.00 179.01 179.43 2ike h ILE 95 N 0.58 1.33 -0.09 3.13 2.04 -1.13 -3.00 117.51 120.36 2ike h ILE 95 Ca 0.02 -1.75 -0.12 0.00 1.00 0.00 0.00 64.86 64.01 2ike h ILE 95 Cb 1.09 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2ike h ILE 95 CO 0.11 0.54 -0.49 -0.08 0.00 0.00 0.00 178.15 178.23 2ike h GLU 96 N 0.35 0.23 -0.06 2.37 4.81 -1.21 -2.88 114.58 118.20 2ike h GLU 96 Ca 0.01 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2ike h GLU 96 Cb 1.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2ike h GLU 96 CO 0.09 0.67 -0.31 1.49 -0.73 0.00 0.00 179.01 180.22 2ike h GLU 97 N 0.19 0.10 -4.22 1.92 4.57 -1.30 -3.37 114.58 112.47 2ike h GLU 97 Ca 0.01 -0.04 -0.70 0.00 -1.18 0.00 0.00 59.36 57.46 2ike h GLU 97 Cb 0.93 -0.01 -0.34 0.00 -0.16 0.00 0.00 28.75 29.17 2ike h GLU 97 CO 0.07 0.41 -0.48 -0.51 -1.18 0.00 0.00 179.01 177.32 2ike s ASP 98 N -6.92 5.30 -0.10 1.04 1.01 -1.08 -4.96 116.67 110.96 2ike s ASP 98 Ca -0.04 -2.25 0.01 0.00 0.71 0.00 0.00 52.55 50.98 2ike s ASP 98 Cb 0.15 -1.86 0.13 0.00 1.01 0.00 0.00 42.92 42.35 2ike s ASP 98 CO 0.73 -0.51 1.29 -0.81 0.21 0.00 0.00 175.17 176.08 2ike n PRO 99 N 4.32 1.27 -4.67 8.23 -0.05 -1.26 -4.82 135.00 138.03 2ike n PRO 99 Ca 0.00 -0.63 -0.24 0.00 -0.05 0.00 0.00 63.50 62.58 2ike n PRO 99 Cb 0.40 -1.25 -0.16 0.00 -0.05 0.00 0.00 33.50 32.45 2ike n PRO 99 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 2ike s ILE 100 N -0.72 1.19 0.00 0.52 1.01 -1.26 -5.04 121.20 116.89 2ike s ILE 100 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2ike s ILE 100 Cb 0.10 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2ike s ILE 100 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2ike n GLY 101 N 3.25 1.88 0.35 6.18 0.00 -1.26 -4.83 105.19 110.75 2ike n GLY 101 Ca -0.18 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 44.99 2ike n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ike h GLU 102 N 0.00 0.00 -0.35 1.61 5.08 -2.00 -0.67 114.58 118.26 2ike h GLU 102 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2ike h GLU 102 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ike h GLU 102 CO 0.00 0.00 0.29 0.38 -1.00 0.00 0.00 179.01 178.68 2ike h ASP 103 N 0.00 0.00 -0.38 1.42 2.03 -1.98 -0.86 116.42 116.65 2ike h ASP 103 Ca 0.09 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.33 2ike h ASP 103 Cb 0.65 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 2ike h ASP 103 CO -0.00 0.00 0.02 1.05 -1.03 0.00 0.00 179.24 179.28 2ike h GLU 104 N 0.00 0.66 -0.04 4.15 4.11 -1.43 0.10 114.58 122.13 2ike h GLU 104 Ca 0.16 -0.20 -0.14 0.00 0.07 0.00 0.00 59.36 59.26 2ike h GLU 104 Cb 0.75 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2ike h GLU 104 CO -0.00 0.75 -0.60 1.15 0.07 0.00 0.00 179.01 180.37 2ike h THR 105 N 0.48 1.41 -0.05 -1.06 2.02 -1.37 -2.50 112.91 111.85 2ike h THR 105 Ca 0.11 -2.02 -0.18 0.00 0.77 0.00 0.00 66.41 65.09 2ike h THR 105 Cb 0.44 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2ike h THR 105 CO 0.02 0.59 -0.75 0.74 0.37 0.00 0.00 175.52 176.48 2ike h THR 106 N 0.10 1.41 -0.20 3.16 2.02 -1.10 -2.10 112.91 116.20 2ike h THR 106 Ca -0.01 -2.25 -0.17 0.00 0.77 0.00 0.00 66.41 64.75 2ike h THR 106 Cb 1.09 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 2ike h THR 106 CO 0.09 0.67 -0.56 0.22 0.37 0.00 0.00 175.52 176.30 2ike h TYR 107 N 0.20 0.78 -0.23 3.16 5.03 -0.69 -1.12 116.97 124.10 2ike h TYR 107 Ca -0.03 -0.28 -0.19 0.00 2.58 0.00 0.00 58.73 60.81 2ike h TYR 107 Cb 1.33 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.47 2ike h TYR 107 CO 0.04 1.03 -0.59 1.25 -1.32 0.00 0.00 178.16 178.57 2ike h LEU 108 N 0.47 0.92 -0.90 2.82 5.85 -1.44 0.21 115.31 123.24 2ike h LEU 108 Ca 0.01 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.05 2ike h LEU 108 Cb 1.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2ike h LEU 108 CO 0.11 1.32 -0.54 0.11 -0.34 0.00 0.00 178.44 179.11 2ike h LYS 109 N 0.56 0.00 0.00 1.25 1.57 -1.37 -2.45 116.57 116.13 2ike h LYS 109 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2ike h LYS 109 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 2ike h LYS 109 CO 0.13 0.54 -1.44 -0.91 -0.57 0.00 0.00 179.45 177.19 2ike h ASN 110 N 0.00 0.00 -1.23 0.86 4.21 -1.15 -3.36 115.58 114.92 2ike h ASN 110 Ca -0.01 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.87 2ike h ASN 110 Cb 0.97 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 37.81 2ike h ASN 110 CO 0.07 0.90 0.04 -1.54 -1.29 0.00 0.00 177.43 175.61 2ike n SER 111 N -3.09 6.16 -4.79 5.81 3.41 0.74 -4.58 113.62 117.28 2ike n SER 111 Ca -0.11 -3.77 -0.36 0.00 -0.26 0.00 0.00 58.87 54.36 2ike n SER 111 Cb 0.98 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 2ike n SER 111 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ike s VAL 112 N -4.96 5.36 -0.37 -3.33 0.11 -0.93 -0.61 120.40 115.66 2ike s VAL 112 Ca 0.54 0.40 0.07 0.00 -2.93 0.00 0.00 61.98 60.06 2ike s VAL 112 Cb 0.44 -3.53 0.67 0.00 -1.53 0.00 0.00 36.38 32.43 2ike s VAL 112 CO -0.11 0.50 1.77 0.00 -3.33 0.00 0.00 175.10 173.94 2ike n ALA 114 N -0.43 -2.80 -3.52 0.00 0.00 -1.26 -4.73 120.51 107.77 2ike n ALA 114 Ca 0.44 0.75 -0.27 0.00 0.00 0.00 0.00 53.44 54.36 2ike n ALA 114 Cb 1.42 -2.95 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 2ike n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ike n GLY 115 N -0.67 3.24 0.06 0.00 0.00 -1.26 -4.73 105.19 101.83 2ike n GLY 115 Ca 0.04 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 2ike n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ike h PRO 116 N 5.07 0.06 0.00 1.61 0.11 -1.96 -0.62 132.00 136.26 2ike h PRO 116 Ca 0.19 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 2ike h PRO 116 Cb 0.82 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 2ike h PRO 116 CO 0.56 0.04 -1.60 -1.91 -0.21 0.00 0.00 178.00 174.88 2ike n GLU 117 N -5.07 2.11 0.03 1.05 2.13 -1.26 -4.61 120.64 115.03 2ike n GLU 117 Ca -0.06 -0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.64 2ike n GLU 117 Cb 0.04 -1.24 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 2ike n GLU 117 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2ike h ASP 118 N 0.00 0.10 -4.76 4.31 2.03 -1.93 -3.50 116.42 112.67 2ike h ASP 118 Ca -0.21 -0.15 0.01 0.00 -0.73 0.00 0.00 57.03 55.95 2ike h ASP 118 Cb 1.38 -0.03 -0.11 0.00 -0.83 0.00 0.00 39.33 39.73 2ike h ASP 118 CO 0.01 1.13 -1.41 -3.20 -1.03 0.00 0.00 179.24 174.74 2ike n ASN 119 N -3.26 -1.19 -4.31 4.15 2.85 -0.24 -4.83 115.26 108.43 2ike n ASN 119 Ca -0.11 1.26 -0.19 0.00 -0.11 0.00 0.00 54.58 55.43 2ike n ASN 119 Cb 1.01 -4.85 -0.11 0.00 1.24 0.00 0.00 39.78 37.07 2ike n ASN 119 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2ike s SER 120 N -0.59 2.45 0.04 1.20 0.01 -1.26 -3.53 113.70 112.01 2ike s SER 120 Ca -0.24 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.07 2ike s SER 120 Cb 0.02 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2ike s SER 120 CO 0.65 -0.12 0.03 -0.69 0.41 0.00 0.00 173.24 173.52 2ike s VAL 121 N -2.48 0.15 -0.19 3.43 1.01 -0.66 -2.31 120.40 119.35 2ike s VAL 121 Ca 0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2ike s VAL 121 Cb -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2ike s VAL 121 CO 0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 175.10 174.41