#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 6.72 0.21 1.96 1.04 -1.26 0.15 113.70 122.52 2ike s SER 72 Ca 0.00 0.86 0.09 0.00 0.48 0.00 0.00 55.95 57.38 2ike s SER 72 Cb 0.00 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 2ike s SER 72 CO 0.00 0.05 -0.16 0.00 0.98 0.00 0.00 173.24 174.10 2ike s LEU 74 N -3.22 3.57 1.16 0.00 1.02 -1.26 -0.20 118.68 119.74 2ike s LEU 74 Ca 0.23 -0.08 -0.13 0.00 0.02 0.00 0.00 54.13 54.17 2ike s LEU 74 Cb -0.03 -1.92 0.28 0.00 0.02 0.00 0.00 46.19 44.55 2ike s LEU 74 CO 0.08 0.08 1.03 0.42 0.02 0.00 0.00 176.35 177.99 2ike s THR 75 N 0.92 2.01 0.60 5.49 -4.23 0.08 -4.67 115.64 115.85 2ike s THR 75 Ca 0.03 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.83 2ike s THR 75 Cb -0.14 -2.05 0.36 0.00 1.34 0.00 0.00 72.50 72.01 2ike s THR 75 CO 0.03 -0.01 1.87 -0.65 -0.54 0.00 0.00 174.62 175.32 2ike h PRO 76 N -2.62 0.00 -0.63 3.99 0.11 -1.91 0.96 132.00 131.91 2ike h PRO 76 Ca -0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 2ike h PRO 76 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2ike h PRO 76 CO 0.50 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 2ike n ASP 77 N -3.53 3.54 -1.50 -2.05 8.00 -1.26 -4.93 116.55 114.81 2ike n ASP 77 Ca 0.07 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.48 2ike n ASP 77 Cb 0.64 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 2ike n ASP 77 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ike n ASN 78 N 1.45 -3.59 -4.87 -2.24 5.03 0.33 -5.03 115.26 106.34 2ike n ASN 78 Ca 0.22 -0.14 -0.36 0.00 0.87 0.00 0.00 54.58 55.17 2ike n ASN 78 Cb 0.57 -2.45 -0.06 0.00 -1.02 0.00 0.00 39.78 36.82 2ike n ASN 78 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2ike s LYS 79 N -5.11 3.64 0.03 3.52 2.20 -1.25 -4.74 119.74 118.04 2ike s LYS 79 Ca 0.15 0.05 -0.32 0.00 -0.36 0.00 0.00 55.97 55.49 2ike s LYS 79 Cb -0.07 -3.13 -0.11 0.00 -1.51 0.00 0.00 37.83 33.02 2ike s LYS 79 CO 0.18 0.68 1.89 -0.35 -0.36 0.00 0.00 175.35 177.39 2ike n PRO 80 N 1.46 2.61 0.00 4.03 -0.04 -1.26 -0.74 135.00 141.06 2ike n PRO 80 Ca -0.14 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2ike n PRO 80 Cb 0.53 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.36 5.09 3.12 0.55 0.00 0.72 -4.88 105.19 114.15 2ike n GLY 81 Ca 0.20 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 1.12 0.70 -0.18 1.61 3.01 0.85 -2.83 119.74 124.01 2ike s LYS 82 Ca 0.00 -0.95 -0.04 0.00 -1.01 0.00 0.00 55.97 53.97 2ike s LYS 82 Cb 0.00 -0.47 -0.02 0.00 -1.01 0.00 0.00 37.83 36.33 2ike s LYS 82 CO 0.00 0.08 -0.04 0.00 0.51 0.00 0.00 175.35 175.90 2ike s VAL 84 N 0.86 0.17 0.05 0.00 -7.23 0.03 -3.51 120.40 110.76 2ike s VAL 84 Ca -0.01 -1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2ike s VAL 84 Cb -0.15 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.67 2ike s VAL 84 CO 0.01 -0.75 0.03 0.59 -0.31 0.00 0.00 175.10 174.67 2ike n ASN 85 N 0.47 -1.97 -0.45 4.85 4.13 -1.26 -0.44 115.26 120.59 2ike n ASN 85 Ca -0.17 -0.08 0.08 0.00 1.68 0.00 0.00 54.58 56.09 2ike n ASN 85 Cb 0.60 -0.03 0.31 0.00 -1.54 0.00 0.00 39.78 39.11 2ike n ASN 85 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2ike n ILE 86 N -3.04 0.24 -1.32 2.41 -5.35 -0.78 -3.61 119.36 107.89 2ike n ILE 86 Ca 0.00 -0.30 0.04 0.00 -0.27 0.00 0.00 62.75 62.23 2ike n ILE 86 Cb 0.02 0.20 0.20 0.00 -1.74 0.00 0.00 39.64 38.32 2ike n ILE 86 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2ike n LYS 87 N 0.15 1.81 0.00 6.28 5.02 -1.26 -4.68 118.16 125.48 2ike n LYS 87 Ca 0.13 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 2ike n LYS 87 Cb 0.25 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2ike n LYS 88 N -1.10 0.00 -1.67 1.97 4.81 -1.24 -5.08 118.16 115.85 2ike n LYS 88 Ca 0.23 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 57.19 2ike n LYS 88 Cb 0.82 -0.29 -0.05 0.00 0.02 0.00 0.00 35.03 35.53 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 4.45 0.98 -0.49 0.00 1.35 -1.97 -1.49 112.91 115.74 2ike h THR 90 Ca -0.47 -0.01 0.07 0.00 -0.55 0.00 0.00 66.41 65.45 2ike h THR 90 Cb 1.27 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.61 2ike h THR 90 CO 0.91 0.01 0.33 0.45 -0.25 0.00 0.00 175.52 176.97 2ike h HIS 91 N 0.03 0.39 -0.37 4.73 3.86 -2.00 -1.20 115.15 120.58 2ike h HIS 91 Ca 0.03 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 2ike h HIS 91 Cb 0.08 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2ike h HIS 91 CO -0.00 0.21 -0.39 -0.07 0.86 0.00 0.00 177.93 178.53 2ike h LEU 92 N 0.38 0.97 -1.14 2.43 -0.00 -1.61 -2.82 115.31 113.53 2ike h LEU 92 Ca 0.22 -0.45 -0.06 0.00 -0.00 0.00 0.00 57.88 57.59 2ike h LEU 92 Cb 0.36 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 2ike h LEU 92 CO -0.05 1.24 -0.09 0.00 -0.00 0.00 0.00 178.44 179.53 2ike h ALA 93 N 0.80 1.29 -0.46 1.53 0.00 -1.28 -2.43 119.26 118.71 2ike h ALA 93 Ca 0.06 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2ike h ALA 93 Cb 0.98 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2ike h ALA 93 CO 0.09 0.47 -0.17 0.93 0.00 0.00 0.00 179.25 180.58 2ike h GLU 94 N 0.46 0.88 -0.27 0.00 5.08 -1.26 -2.60 114.58 116.88 2ike h GLU 94 Ca 0.09 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2ike h GLU 94 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2ike h GLU 94 CO 0.02 0.98 -0.26 0.82 -1.00 0.00 0.00 179.01 179.57 2ike h ILE 95 N 0.78 1.27 -0.30 3.13 2.04 -1.23 0.38 117.51 123.58 2ike h ILE 95 Ca 0.11 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.57 2ike h ILE 95 Cb 0.70 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2ike h ILE 95 CO 0.05 0.42 -0.24 -0.33 0.00 0.00 0.00 178.15 178.05 2ike h GLU 96 N 0.45 0.58 0.03 2.37 4.39 -1.25 -0.70 114.58 120.46 2ike h GLU 96 Ca 0.06 -0.22 -0.28 0.00 0.34 0.00 0.00 59.36 59.27 2ike h GLU 96 Cb 0.69 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2ike h GLU 96 CO 0.05 0.77 -1.48 0.93 -1.16 0.00 0.00 179.01 178.12 2ike h GLU 97 N 0.51 0.07 -1.24 2.33 5.08 -1.24 -3.44 114.58 116.66 2ike h GLU 97 Ca 0.07 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2ike h GLU 97 Cb 0.69 0.05 -0.22 0.00 0.50 0.00 0.00 28.75 29.77 2ike h GLU 97 CO 0.05 0.82 -0.52 0.16 -1.00 0.00 0.00 179.01 178.52 2ike s ASP 98 N -6.52 -0.87 -0.96 1.42 -4.77 0.13 -5.04 116.67 100.05 2ike s ASP 98 Ca -0.05 -1.14 -0.08 0.00 -3.30 0.00 0.00 52.55 47.98 2ike s ASP 98 Cb 0.08 1.60 -0.12 0.00 -1.09 0.00 0.00 42.92 43.39 2ike s ASP 98 CO 0.83 -0.17 3.13 -0.81 0.70 0.00 0.00 175.17 178.84 2ike n PRO 99 N 4.14 3.12 -4.45 2.11 -0.04 -0.28 -4.22 135.00 135.38 2ike n PRO 99 Ca 0.12 -1.92 -0.31 0.00 -0.04 0.00 0.00 63.50 61.35 2ike n PRO 99 Cb 0.54 -2.47 -0.11 0.00 -0.04 0.00 0.00 33.50 31.43 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 1.15 3.37 0.00 0.52 2.07 -1.26 -4.99 121.20 122.06 2ike s ILE 100 Ca 0.67 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 2ike s ILE 100 Cb 0.24 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 40.35 2ike s ILE 100 CO -0.05 0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 2ike n GLY 101 N 1.34 1.10 0.24 1.50 0.00 -1.26 -4.80 105.19 103.31 2ike n GLY 101 Ca -0.15 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.11 2ike n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ike h GLU 102 N 0.00 0.00 0.00 1.61 4.22 -2.01 -1.99 114.58 116.41 2ike h GLU 102 Ca 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 2ike h GLU 102 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2ike h GLU 102 CO 0.00 0.16 -0.53 0.38 -2.18 0.00 0.00 179.01 176.84 2ike h ASP 103 N 0.00 0.00 -0.33 1.04 2.03 -1.99 -2.68 116.42 114.49 2ike h ASP 103 Ca -0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 2ike h ASP 103 Cb 0.34 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.84 2ike h ASP 103 CO 0.02 0.53 -0.37 -0.08 -1.03 0.00 0.00 179.24 178.31 2ike h GLU 104 N 0.00 0.88 -0.12 4.15 4.81 -1.67 -1.68 114.58 120.95 2ike h GLU 104 Ca -0.01 -0.45 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 2ike h GLU 104 Cb 1.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2ike h GLU 104 CO 0.07 1.10 -0.57 0.00 -0.73 0.00 0.00 179.01 178.88 2ike h THR 105 N 0.72 1.35 -0.11 0.32 1.03 -1.48 -2.69 112.91 112.06 2ike h THR 105 Ca 0.06 -1.87 -0.15 0.00 -0.01 0.00 0.00 66.41 64.45 2ike h THR 105 Cb 0.95 1.88 -0.01 0.00 -1.07 0.00 0.00 68.15 69.90 2ike h THR 105 CO 0.09 0.56 -0.58 0.74 -0.01 0.00 0.00 175.52 176.32 2ike h THR 106 N 0.29 1.36 -0.17 0.00 2.02 -1.39 -2.87 112.91 112.16 2ike h THR 106 Ca 0.00 -1.90 -0.12 0.00 0.77 0.00 0.00 66.41 65.16 2ike h THR 106 Cb 1.08 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2ike h THR 106 CO 0.10 0.57 -0.43 0.22 0.37 0.00 0.00 175.52 176.35 2ike h TYR 107 N 0.25 0.47 -0.42 3.16 3.20 -1.20 -2.55 116.97 119.88 2ike h TYR 107 Ca -0.00 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.60 2ike h TYR 107 Cb 1.09 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2ike h TYR 107 CO 0.03 0.76 -0.26 1.25 -1.64 0.00 0.00 178.16 178.30 2ike h LEU 108 N 0.32 0.89 -1.03 2.82 5.85 -1.37 -0.32 115.31 122.48 2ike h LEU 108 Ca 0.03 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 2ike h LEU 108 Cb 0.89 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2ike h LEU 108 CO 0.07 1.10 -0.47 0.11 -0.34 0.00 0.00 178.44 178.91 2ike h LYS 109 N 0.74 0.03 0.00 1.25 1.79 -1.39 -2.85 116.57 116.14 2ike h LYS 109 Ca 0.09 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 2ike h LYS 109 Cb 0.81 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2ike h LYS 109 CO 0.07 0.50 -0.80 -0.91 -1.08 0.00 0.00 179.45 177.23 2ike h ASN 110 N 0.03 0.00 -1.02 0.86 4.21 -1.25 -3.31 115.58 115.10 2ike h ASN 110 Ca -0.00 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.84 2ike h ASN 110 Cb 0.84 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 37.74 2ike h ASN 110 CO 0.06 0.52 0.67 -1.54 -1.29 0.00 0.00 177.43 175.85 2ike n SER 111 N -3.11 7.36 -4.92 5.81 3.41 -0.15 -4.87 113.62 117.14 2ike n SER 111 Ca -0.02 -3.79 -0.26 0.00 -0.26 0.00 0.00 58.87 54.55 2ike n SER 111 Cb 0.76 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 2ike n SER 111 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ike s VAL 112 N -4.82 5.01 -0.38 -3.33 1.01 -1.17 0.32 120.40 117.04 2ike s VAL 112 Ca 0.63 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.56 2ike s VAL 112 Cb 0.49 -3.84 0.67 0.00 0.00 0.00 0.00 36.38 33.71 2ike s VAL 112 CO -0.02 -0.62 1.81 0.00 0.00 0.00 0.00 175.10 176.27 2ike s ALA 114 N -2.98 -2.16 -0.06 0.00 0.00 -1.26 -4.87 121.76 110.44 2ike s ALA 114 Ca 0.53 1.91 -0.02 0.00 0.00 0.00 0.00 51.96 54.38 2ike s ALA 114 Cb 0.43 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2ike s ALA 114 CO 0.12 -0.35 -0.03 0.78 0.00 0.00 0.00 175.76 176.27 2ike h GLY 115 N 2.02 0.00 0.76 0.00 0.00 -1.97 -3.42 103.07 100.46 2ike h GLY 115 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2ike h GLY 115 CO 0.20 0.00 -0.36 -0.56 0.00 0.00 0.00 176.54 175.83 2ike h PRO 116 N -0.56 0.41 -7.30 4.80 0.13 -2.03 -3.45 132.00 123.98 2ike h PRO 116 Ca 0.00 -0.31 -0.47 0.00 -0.87 0.00 0.00 66.00 64.34 2ike h PRO 116 Cb 0.09 0.06 0.16 0.00 0.13 0.00 0.00 31.00 31.44 2ike h PRO 116 CO 0.00 0.94 0.19 -1.21 -0.23 0.00 0.00 178.00 177.70 2ike s GLU 117 N -3.73 0.68 0.00 0.86 0.41 -1.26 -5.00 118.70 110.66 2ike s GLU 117 Ca -0.14 0.81 0.15 0.00 -0.41 0.00 0.00 54.97 55.38 2ike s GLU 117 Cb 0.05 -1.74 0.25 0.00 -1.78 0.00 0.00 34.13 30.90 2ike s GLU 117 CO 0.79 -2.64 1.09 -0.25 -0.49 0.00 0.00 175.26 173.76 2ike n ASP 118 N -4.15 0.21 -0.03 -0.19 9.92 -1.26 -4.72 116.55 116.32 2ike n ASP 118 Ca 0.06 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 2ike n ASP 118 Cb 0.55 -0.07 -0.11 0.00 -0.64 0.00 0.00 41.12 40.86 2ike n ASP 118 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2ike n ASN 119 N 0.29 1.81 -4.61 -2.24 2.85 -1.26 -4.93 115.26 107.17 2ike n ASN 119 Ca -0.07 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.04 2ike n ASN 119 Cb 0.95 1.23 -0.10 0.00 1.24 0.00 0.00 39.78 43.10 2ike n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ike s SER 120 N -4.09 5.77 0.30 1.20 1.04 -1.26 -1.88 113.70 114.78 2ike s SER 120 Ca -0.06 0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.52 2ike s SER 120 Cb 0.06 -2.03 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 2ike s SER 120 CO 0.55 0.08 -0.16 -0.69 0.98 0.00 0.00 173.24 174.01 2ike s VAL 121 N 0.96 2.41 -0.19 5.02 1.01 0.41 -0.13 120.40 129.89 2ike s VAL 121 Ca 0.06 -2.32 -0.03 0.00 0.00 0.00 0.00 61.98 59.68 2ike s VAL 121 Cb -0.14 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2ike s VAL 121 CO 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 175.10 174.75