#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 7.28 0.22 1.96 1.04 -1.26 0.87 113.70 123.80 2ike s SER 72 Ca 0.00 1.55 0.09 0.00 0.48 0.00 0.00 55.95 58.07 2ike s SER 72 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2ike s SER 72 CO 0.00 -0.30 -0.16 0.00 0.98 0.00 0.00 173.24 173.76 2ike s LEU 74 N -3.27 3.90 1.05 0.00 1.02 -1.26 -1.64 118.68 118.48 2ike s LEU 74 Ca 0.23 -0.00 -0.12 0.00 0.02 0.00 0.00 54.13 54.26 2ike s LEU 74 Cb -0.02 -2.05 0.22 0.00 0.02 0.00 0.00 46.19 44.35 2ike s LEU 74 CO 0.09 0.02 1.07 0.42 0.02 0.00 0.00 176.35 177.96 2ike s THR 75 N 1.32 2.14 0.57 5.49 -4.23 -0.95 -4.72 115.64 115.26 2ike s THR 75 Ca 0.06 0.04 0.30 0.00 -1.18 0.00 0.00 61.69 60.92 2ike s THR 75 Cb -0.15 -2.32 0.42 0.00 1.34 0.00 0.00 72.50 71.79 2ike s THR 75 CO 0.06 -0.06 1.88 -0.65 -0.54 0.00 0.00 174.62 175.31 2ike h PRO 76 N -2.16 0.00 -0.34 3.99 0.11 -1.92 1.03 132.00 132.71 2ike h PRO 76 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2ike h PRO 76 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2ike h PRO 76 CO 0.53 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.07 2ike n ASP 77 N -3.94 2.31 -2.22 -2.05 9.92 -1.26 -4.92 116.55 114.39 2ike n ASP 77 Ca 0.13 -1.89 -0.14 0.00 -0.53 0.00 0.00 54.79 52.35 2ike n ASP 77 Cb 0.81 -0.22 0.04 0.00 -0.64 0.00 0.00 41.12 41.10 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 0.75 -4.53 -4.71 -2.24 3.02 0.36 -5.01 115.26 102.89 2ike n ASN 78 Ca 0.16 -0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 2ike n ASN 78 Cb 0.40 -3.19 -0.08 0.00 -0.61 0.00 0.00 39.78 36.30 2ike n ASN 78 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ike s LYS 79 N -5.64 4.18 0.05 3.52 1.02 -1.25 -4.79 119.74 116.85 2ike s LYS 79 Ca 0.31 -0.11 -0.31 0.00 0.02 0.00 0.00 55.97 55.88 2ike s LYS 79 Cb -0.13 -3.46 -0.10 0.00 -0.52 0.00 0.00 37.83 33.62 2ike s LYS 79 CO 0.38 0.20 1.91 -0.35 -0.92 0.00 0.00 175.35 176.57 2ike n PRO 80 N 3.78 2.75 0.00 -1.68 -0.04 -1.26 -2.23 135.00 136.32 2ike n PRO 80 Ca -0.14 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2ike n PRO 80 Cb 0.52 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.41 4.35 3.08 0.55 0.00 -0.65 -4.86 105.19 112.06 2ike n GLY 81 Ca 0.20 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 1.17 0.68 -0.18 1.61 1.02 0.11 -2.23 119.74 121.92 2ike s LYS 82 Ca 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 2ike s LYS 82 Cb 0.00 -0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 36.69 2ike s LYS 82 CO 0.00 0.14 -0.03 0.00 -0.92 0.00 0.00 175.35 174.54 2ike s VAL 84 N 0.83 1.56 0.74 0.00 -7.23 0.03 -3.28 120.40 113.05 2ike s VAL 84 Ca -0.01 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 2ike s VAL 84 Cb -0.14 -1.75 0.18 0.00 0.56 0.00 0.00 36.38 35.23 2ike s VAL 84 CO 0.02 -0.43 0.40 0.59 -0.31 0.00 0.00 175.10 175.37 2ike n ASN 85 N 0.25 -2.88 -2.56 4.85 4.13 -1.26 -0.92 115.26 116.88 2ike n ASN 85 Ca -0.13 -0.41 -0.26 0.00 1.68 0.00 0.00 54.58 55.46 2ike n ASN 85 Cb 0.58 -0.51 -0.07 0.00 -1.54 0.00 0.00 39.78 38.23 2ike n ASN 85 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2ike n ILE 86 N -4.25 3.57 -2.20 2.41 2.08 -1.26 -3.78 119.36 115.93 2ike n ILE 86 Ca 0.06 -2.84 -0.02 0.00 0.56 0.00 0.00 62.75 60.52 2ike n ILE 86 Cb 0.28 -1.80 0.02 0.00 -0.75 0.00 0.00 39.64 37.39 2ike n ILE 86 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2ike n LYS 87 N 1.47 0.33 0.00 0.38 2.85 -1.26 -5.00 118.16 116.93 2ike n LYS 87 Ca 0.51 -0.48 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2ike n LYS 87 Cb 0.58 0.32 0.00 0.00 -0.65 0.00 0.00 35.03 35.28 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ike n LYS 88 N -0.38 0.00 -1.60 -1.58 4.81 -1.25 -5.11 118.16 113.05 2ike n LYS 88 Ca -0.10 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.89 2ike n LYS 88 Cb 0.57 -0.12 -0.02 0.00 0.02 0.00 0.00 35.03 35.47 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 2.31 0.93 -0.21 0.00 2.02 -1.98 -0.81 112.91 115.17 2ike h THR 90 Ca -0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2ike h THR 90 Cb 1.33 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 2ike h THR 90 CO 0.65 0.00 0.09 0.45 0.37 0.00 0.00 175.52 177.08 2ike h HIS 91 N 0.00 0.27 -0.38 3.16 3.86 -1.97 -2.09 115.15 118.00 2ike h HIS 91 Ca 0.07 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2ike h HIS 91 Cb 0.28 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2ike h HIS 91 CO 0.00 0.21 0.03 -0.07 0.86 0.00 0.00 177.93 178.96 2ike h LEU 92 N 0.28 0.63 -1.05 2.43 -0.00 -1.49 -0.72 115.31 115.40 2ike h LEU 92 Ca 0.07 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.88 57.60 2ike h LEU 92 Cb 0.04 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 2ike h LEU 92 CO -0.01 0.76 -0.10 0.00 -0.00 0.00 0.00 178.44 179.08 2ike h ALA 93 N 0.89 1.21 -0.25 1.53 0.00 -1.48 -0.65 119.26 120.52 2ike h ALA 93 Ca 0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2ike h ALA 93 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ike h ALA 93 CO 0.01 0.51 -0.42 1.49 0.00 0.00 0.00 179.25 180.84 2ike h GLU 94 N 0.52 0.73 -0.22 0.00 4.57 -1.18 -2.84 114.58 116.15 2ike h GLU 94 Ca 0.10 -0.45 -0.12 0.00 -1.18 0.00 0.00 59.36 57.71 2ike h GLU 94 Cb 0.49 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2ike h GLU 94 CO 0.03 1.07 -0.36 0.97 -1.18 0.00 0.00 179.01 179.54 2ike h ILE 95 N 0.46 1.29 -0.17 2.32 6.09 -0.96 -2.70 117.51 123.85 2ike h ILE 95 Ca 0.02 -1.47 -0.03 0.00 -1.37 0.00 0.00 64.86 62.01 2ike h ILE 95 Cb 1.02 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 39.81 2ike h ILE 95 CO 0.10 0.46 -0.02 -0.08 -3.07 0.00 0.00 178.15 175.53 2ike h GLU 96 N 0.40 0.25 0.00 2.19 4.22 -1.06 -0.61 114.58 119.96 2ike h GLU 96 Ca 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2ike h GLU 96 Cb 0.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2ike h GLU 96 CO 0.07 0.29 0.00 0.39 -2.18 0.00 0.00 179.01 177.58 2ike n GLU 97 N -4.37 0.01 -2.31 1.92 -0.58 -1.02 -4.92 120.64 109.36 2ike n GLU 97 Ca -0.00 0.19 -0.03 0.00 -0.42 0.00 0.00 57.16 56.90 2ike n GLU 97 Cb 0.19 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 2ike n GLU 97 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ike n ASP 98 N -1.49 -4.69 -1.91 1.62 2.03 -0.24 -5.07 116.55 106.80 2ike n ASP 98 Ca 0.04 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2ike n ASP 98 Cb 0.21 -3.05 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2ike n ASP 98 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2ike n PRO 99 N -1.74 0.80 -4.45 -0.67 -0.04 -1.25 -5.09 135.00 122.56 2ike n PRO 99 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 2ike n PRO 99 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.84 2ike n PRO 99 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ike s ILE 100 N 0.15 1.15 0.00 0.52 2.07 -1.26 -5.08 121.20 118.75 2ike s ILE 100 Ca 0.00 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 2ike s ILE 100 Cb 0.00 -1.02 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2ike s ILE 100 CO 0.00 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 2ike n GLY 101 N 2.11 2.80 0.20 1.50 0.00 -1.26 -4.95 105.19 105.58 2ike n GLY 101 Ca -0.17 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 0.10 -0.12 1.61 4.39 -2.01 -2.63 114.58 115.93 2ike h GLU 102 Ca 0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2ike h GLU 102 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2ike h GLU 102 CO 0.00 0.43 0.08 0.38 -1.16 0.00 0.00 179.01 178.73 2ike h ASP 103 N 0.09 0.11 -0.02 1.42 2.03 -1.99 -1.17 116.42 116.89 2ike h ASP 103 Ca 0.01 -0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.15 2ike h ASP 103 Cb 0.63 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 2ike h ASP 103 CO 0.05 0.08 -0.53 -0.33 -1.03 0.00 0.00 179.24 177.47 2ike h GLU 104 N 0.12 0.60 -0.13 4.15 4.39 -1.84 -1.51 114.58 120.36 2ike h GLU 104 Ca 0.05 -0.37 -0.18 0.00 0.34 0.00 0.00 59.36 59.19 2ike h GLU 104 Cb 0.03 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2ike h GLU 104 CO -0.01 0.98 -0.68 1.15 -1.16 0.00 0.00 179.01 179.30 2ike h THR 105 N 0.46 1.34 -0.11 1.13 2.02 -1.34 -2.72 112.91 113.69 2ike h THR 105 Ca 0.01 -1.99 -0.15 0.00 0.77 0.00 0.00 66.41 65.06 2ike h THR 105 Cb 1.08 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2ike h THR 105 CO 0.10 0.61 -0.58 0.74 0.37 0.00 0.00 175.52 176.77 2ike h THR 106 N 0.39 1.36 -0.21 3.16 2.02 -1.20 -2.86 112.91 115.56 2ike h THR 106 Ca -0.02 -1.90 -0.11 0.00 0.77 0.00 0.00 66.41 65.15 2ike h THR 106 Cb 1.25 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 2ike h THR 106 CO 0.12 0.57 -0.35 0.22 0.37 0.00 0.00 175.52 176.46 2ike h TYR 107 N 0.26 0.51 -0.45 3.16 3.20 -1.23 -1.86 116.97 120.57 2ike h TYR 107 Ca -0.00 -0.13 -0.14 0.00 3.14 0.00 0.00 58.73 61.60 2ike h TYR 107 Cb 1.09 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2ike h TYR 107 CO 0.03 0.74 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.94 2ike h LEU 108 N 0.38 1.01 -0.85 2.82 3.38 -1.37 0.13 115.31 120.80 2ike h LEU 108 Ca 0.04 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 2ike h LEU 108 Cb 0.79 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2ike h LEU 108 CO 0.06 1.21 -0.55 0.50 0.09 0.00 0.00 178.44 179.75 2ike h LYS 109 N 0.82 0.07 0.00 1.13 3.64 -1.38 -3.04 116.57 117.82 2ike h LYS 109 Ca 0.09 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 2ike h LYS 109 Cb 0.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2ike h LYS 109 CO 0.08 0.60 -1.08 -0.91 -2.27 0.00 0.00 179.45 175.87 2ike h ASN 110 N 0.05 0.00 -0.87 4.20 2.35 -1.18 -3.30 115.58 116.84 2ike h ASN 110 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 2ike h ASN 110 Cb 0.99 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.10 2ike h ASN 110 CO 0.08 0.87 0.72 -0.24 -1.65 0.00 0.00 177.43 177.21 2ike n SER 111 N -3.23 6.58 -4.74 5.81 2.88 0.43 -4.78 113.62 116.58 2ike n SER 111 Ca -0.04 -3.56 -0.38 0.00 -1.33 0.00 0.00 58.87 53.57 2ike n SER 111 Cb 0.92 -0.96 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 2ike n SER 111 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ike s VAL 112 N -3.90 5.18 -0.89 2.46 0.11 -1.19 -1.13 120.40 121.03 2ike s VAL 112 Ca 0.55 0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 60.37 2ike s VAL 112 Cb 0.44 -3.78 -0.08 0.00 -1.53 0.00 0.00 36.38 31.42 2ike s VAL 112 CO 0.01 0.37 2.06 0.00 -3.33 0.00 0.00 175.10 174.22 2ike s ALA 114 N 3.92 3.28 0.00 0.00 0.00 -1.26 -4.23 121.76 123.48 2ike s ALA 114 Ca 0.46 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2ike s ALA 114 Cb 0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2ike s ALA 114 CO 0.02 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2ike n GLY 115 N 0.61 1.77 0.20 0.00 0.00 -1.26 -4.85 105.19 101.66 2ike n GLY 115 Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.19 -3.59 1.61 0.11 -2.03 -3.45 132.00 124.84 2ike h PRO 116 Ca 0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2ike h PRO 116 Cb 0.00 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 30.96 2ike h PRO 116 CO 0.00 0.12 -0.13 -2.00 -0.21 0.00 0.00 178.00 175.78 2ike s GLU 117 N -6.15 1.33 -0.09 1.05 2.12 -1.26 -5.07 118.70 110.63 2ike s GLU 117 Ca -0.13 -1.06 -0.09 0.00 0.36 0.00 0.00 54.97 54.05 2ike s GLU 117 Cb 0.16 0.46 -0.28 0.00 0.26 0.00 0.00 34.13 34.72 2ike s GLU 117 CO 0.73 -0.53 0.50 -0.44 -0.54 0.00 0.00 175.26 174.97 2ike h ASP 118 N 2.34 0.50 -0.96 -1.70 5.19 -1.87 -3.40 116.42 116.52 2ike h ASP 118 Ca -0.29 -0.94 -0.68 0.00 -0.62 0.00 0.00 57.03 54.49 2ike h ASP 118 Cb 1.25 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 40.51 2ike h ASP 118 CO 0.41 1.82 2.14 0.20 -3.12 0.00 0.00 179.24 180.69 2ike s ASN 119 N -7.15 6.85 -0.19 6.45 0.01 -1.26 -4.86 114.94 114.79 2ike s ASN 119 Ca -0.20 -2.48 -0.26 0.00 -0.71 0.00 0.00 52.86 49.21 2ike s ASN 119 Cb 0.06 -2.57 0.07 0.00 0.41 0.00 0.00 41.25 39.22 2ike s ASN 119 CO 0.80 -1.14 0.68 -0.44 -1.51 0.00 0.00 177.10 175.49 2ike s SER 120 N 4.13 -0.69 0.14 -1.22 0.01 -1.26 -4.04 113.70 110.78 2ike s SER 120 Ca 0.53 1.16 0.05 0.00 1.31 0.00 0.00 55.95 59.01 2ike s SER 120 Cb 0.03 1.13 -0.04 0.00 0.21 0.00 0.00 66.02 67.35 2ike s SER 120 CO 0.07 -0.35 -0.12 -0.69 0.41 0.00 0.00 173.24 172.56 2ike s VAL 121 N -0.13 1.30 -0.15 3.43 1.01 -0.09 -2.92 120.40 122.85 2ike s VAL 121 Ca -0.04 -1.94 -0.02 0.00 0.00 0.00 0.00 61.98 59.98 2ike s VAL 121 Cb -0.03 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2ike s VAL 121 CO 0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 175.10 174.45