#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 6.51 0.21 1.96 1.04 -1.26 0.10 113.70 122.25 2ike s SER 72 Ca 0.00 0.60 0.09 0.00 0.48 0.00 0.00 55.95 57.12 2ike s SER 72 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 2ike s SER 72 CO 0.00 -0.06 -0.16 0.00 0.98 0.00 0.00 173.24 174.00 2ike s LEU 74 N -3.18 3.36 1.17 0.00 1.02 -1.26 0.56 118.68 120.35 2ike s LEU 74 Ca 0.22 -0.18 -0.13 0.00 0.02 0.00 0.00 54.13 54.06 2ike s LEU 74 Cb -0.03 -1.87 0.29 0.00 0.02 0.00 0.00 46.19 44.60 2ike s LEU 74 CO 0.08 0.04 1.03 0.42 0.02 0.00 0.00 176.35 177.94 2ike s THR 75 N 1.17 2.01 0.57 5.49 -4.23 -0.08 -4.68 115.64 115.89 2ike s THR 75 Ca 0.03 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.83 2ike s THR 75 Cb -0.14 -2.04 0.40 0.00 1.34 0.00 0.00 72.50 72.05 2ike s THR 75 CO 0.02 -0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.38 2ike h PRO 76 N -2.67 0.00 -0.41 3.99 0.11 -1.91 0.85 132.00 131.97 2ike h PRO 76 Ca -0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.49 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 -3.94 2.78 -1.45 -2.05 9.92 -1.26 -4.92 116.55 115.63 2ike n ASP 77 Ca 0.10 -1.93 -0.08 0.00 -0.53 0.00 0.00 54.79 52.35 2ike n ASP 77 Cb 0.68 -0.27 0.02 0.00 -0.64 0.00 0.00 41.12 40.92 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 1.03 -3.42 -4.85 -2.24 3.02 0.30 -5.03 115.26 104.06 2ike n ASN 78 Ca 0.18 -0.15 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 2ike n ASN 78 Cb 0.47 -2.15 -0.06 0.00 -0.61 0.00 0.00 39.78 37.43 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 -5.22 3.59 0.01 3.52 2.47 -1.25 -4.75 119.74 118.11 2ike s LYS 79 Ca 0.16 -0.12 -0.36 0.00 -1.56 0.00 0.00 55.97 54.09 2ike s LYS 79 Cb -0.07 -3.23 -0.15 0.00 -1.46 0.00 0.00 37.83 32.92 2ike s LYS 79 CO 0.20 0.69 1.58 -2.30 0.16 0.00 0.00 175.35 175.69 2ike n PRO 80 N 2.24 1.63 -1.00 4.03 -0.02 -1.26 -0.90 135.00 139.72 2ike n PRO 80 Ca -0.19 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2ike n PRO 80 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2ike n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ike n GLY 81 N 3.42 3.64 3.12 -1.23 0.00 0.19 -4.85 105.19 109.49 2ike n GLY 81 Ca 0.20 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.86 0.70 -0.18 1.61 3.01 0.19 -1.34 119.74 122.87 2ike s LYS 82 Ca 0.00 -0.91 -0.04 0.00 -1.01 0.00 0.00 55.97 54.01 2ike s LYS 82 Cb 0.00 -0.54 -0.02 0.00 -1.01 0.00 0.00 37.83 36.26 2ike s LYS 82 CO 0.00 0.11 -0.03 0.00 0.51 0.00 0.00 175.35 175.93 2ike s VAL 84 N 0.83 0.68 0.81 0.00 -7.23 0.09 -3.37 120.40 112.21 2ike s VAL 84 Ca -0.01 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2ike s VAL 84 Cb -0.14 -1.41 0.17 0.00 0.56 0.00 0.00 36.38 35.56 2ike s VAL 84 CO 0.02 -0.74 0.39 -3.20 -0.31 0.00 0.00 175.10 171.26 2ike n ASN 85 N 0.35 -2.79 -2.23 4.85 2.85 -1.26 -0.30 115.26 116.73 2ike n ASN 85 Ca -0.15 -0.39 -0.28 0.00 -0.11 0.00 0.00 54.58 53.64 2ike n ASN 85 Cb 0.59 -0.59 0.12 0.00 1.24 0.00 0.00 39.78 41.14 2ike n ASN 85 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2ike n ILE 86 N -4.18 3.34 -2.70 -1.44 -6.64 -1.23 -4.16 119.36 102.35 2ike n ILE 86 Ca 0.06 -2.33 -0.06 0.00 -1.77 0.00 0.00 62.75 58.65 2ike n ILE 86 Cb 0.27 -0.84 0.10 0.00 -1.44 0.00 0.00 39.64 37.73 2ike n ILE 86 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 2ike n LYS 87 N -0.94 1.28 0.00 6.28 2.85 -1.26 -4.95 118.16 121.42 2ike n LYS 87 Ca 0.59 -2.11 0.00 0.00 -1.05 0.00 0.00 58.31 55.73 2ike n LYS 87 Cb 1.13 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 35.20 2ike n LYS 87 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2ike n LYS 88 N -0.72 0.00 -1.69 -1.58 2.85 -1.26 -5.12 118.16 110.63 2ike n LYS 88 Ca -0.03 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.79 2ike n LYS 88 Cb 0.85 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.19 2ike n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ike h THR 90 N 3.63 1.03 -0.68 0.00 1.35 -1.99 -1.35 112.91 114.89 2ike h THR 90 Ca -0.44 -0.20 0.02 0.00 -0.55 0.00 0.00 66.41 65.24 2ike h THR 90 Cb 1.23 0.41 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 2ike h THR 90 CO 0.90 0.10 0.45 -0.74 -0.25 0.00 0.00 175.52 175.98 2ike h HIS 91 N 0.57 0.83 -0.32 4.73 -0.00 -2.00 -1.48 115.15 117.48 2ike h HIS 91 Ca 0.23 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.46 2ike h HIS 91 Cb 0.18 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 2ike h HIS 91 CO -0.00 0.51 -0.44 -0.07 -0.00 0.00 0.00 177.93 177.93 2ike h LEU 92 N 0.88 0.89 -1.25 0.26 -0.00 -1.62 -2.79 115.31 111.69 2ike h LEU 92 Ca 0.26 -0.42 -0.06 0.00 -0.00 0.00 0.00 57.88 57.65 2ike h LEU 92 Cb -0.05 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.35 2ike h LEU 92 CO -0.06 1.19 -0.14 0.00 -0.00 0.00 0.00 178.44 179.43 2ike h ALA 93 N 0.84 1.38 -0.36 1.53 0.00 -1.13 -1.54 119.26 119.98 2ike h ALA 93 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2ike h ALA 93 Cb 1.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ike h ALA 93 CO 0.10 0.43 -0.39 1.49 0.00 0.00 0.00 179.25 180.88 2ike h GLU 94 N 0.32 0.87 -0.24 0.00 4.57 -1.16 -1.73 114.58 117.20 2ike h GLU 94 Ca 0.06 -0.45 -0.16 0.00 -1.18 0.00 0.00 59.36 57.63 2ike h GLU 94 Cb 0.45 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2ike h GLU 94 CO 0.03 1.10 -0.50 0.82 -1.18 0.00 0.00 179.01 179.28 2ike h ILE 95 N 0.71 1.30 -0.03 2.32 2.04 -1.22 0.27 117.51 122.90 2ike h ILE 95 Ca 0.06 -1.71 -0.11 0.00 1.00 0.00 0.00 64.86 64.10 2ike h ILE 95 Cb 0.96 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2ike h ILE 95 CO 0.09 0.54 -0.50 -0.08 0.00 0.00 0.00 178.15 178.20 2ike h GLU 96 N 0.53 0.09 0.08 2.37 4.81 -1.23 -3.11 114.58 118.12 2ike h GLU 96 Ca 0.02 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 2ike h GLU 96 Cb 1.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2ike h GLU 96 CO 0.10 0.57 -1.39 0.93 -0.73 0.00 0.00 179.01 178.49 2ike h GLU 97 N 0.07 0.17 -6.33 1.92 5.08 -1.19 -3.47 114.58 110.84 2ike h GLU 97 Ca -0.00 -0.29 -0.46 0.00 -1.00 0.00 0.00 59.36 57.61 2ike h GLU 97 Cb 0.91 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ike h GLU 97 CO 0.07 1.03 -0.34 -0.51 -1.00 0.00 0.00 179.01 178.27 2ike s ASP 98 N -6.85 6.20 0.99 1.42 1.11 0.07 -5.08 116.67 114.52 2ike s ASP 98 Ca -0.05 0.10 -0.13 0.00 0.18 0.00 0.00 52.55 52.65 2ike s ASP 98 Cb 0.08 -1.72 0.08 0.00 1.07 0.00 0.00 42.92 42.42 2ike s ASP 98 CO 0.85 -0.25 0.50 -2.65 1.18 0.00 0.00 175.17 174.80 2ike n PRO 99 N -1.59 -0.66 -4.24 8.23 -0.02 -1.26 -4.74 135.00 130.72 2ike n PRO 99 Ca -0.05 -0.15 -0.29 0.00 -2.02 0.00 0.00 63.50 60.99 2ike n PRO 99 Cb 0.57 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 2ike n PRO 99 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2ike s ILE 100 N -2.41 3.34 0.32 4.25 2.07 -1.26 -4.95 121.20 122.56 2ike s ILE 100 Ca 0.59 -1.38 -0.09 0.00 -1.41 0.00 0.00 60.65 58.36 2ike s ILE 100 Cb -0.20 -2.59 0.01 0.00 0.13 0.00 0.00 42.46 39.81 2ike s ILE 100 CO 0.66 0.04 0.54 -0.83 -1.91 0.00 0.00 174.94 173.44 2ike s GLY 101 N -2.41 0.91 0.30 1.50 0.00 -1.26 -5.03 107.32 101.33 2ike s GLY 101 Ca 0.23 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2ike s GLY 101 CO 0.14 -0.72 1.75 0.83 0.00 0.00 0.00 173.10 175.11 2ike h GLU 102 N 2.14 0.44 -0.11 2.90 5.08 -2.00 -2.03 114.58 121.00 2ike h GLU 102 Ca -0.28 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 2ike h GLU 102 Cb 1.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ike h GLU 102 CO 0.38 0.65 -0.47 0.38 -1.00 0.00 0.00 179.01 178.94 2ike h ASP 103 N 0.40 0.31 0.57 1.42 3.04 -1.99 -2.22 116.42 117.95 2ike h ASP 103 Ca 0.06 -0.15 -0.17 0.00 -3.24 0.00 0.00 57.03 53.53 2ike h ASP 103 Cb 0.62 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 2ike h ASP 103 CO 0.04 0.74 -0.78 -0.08 -2.04 0.00 0.00 179.24 177.12 2ike h GLU 104 N 0.23 0.15 -0.05 4.15 4.57 -1.89 -2.61 114.58 119.14 2ike h GLU 104 Ca 0.01 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 57.88 2ike h GLU 104 Cb 0.92 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2ike h GLU 104 CO 0.08 0.85 -0.71 1.15 -1.18 0.00 0.00 179.01 179.20 2ike h THR 105 N 0.10 1.41 -0.17 0.32 2.02 -1.22 -1.82 112.91 113.55 2ike h THR 105 Ca -0.03 -2.20 -0.20 0.00 0.77 0.00 0.00 66.41 64.75 2ike h THR 105 Cb 1.36 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2ike h THR 105 CO 0.11 0.65 -0.71 0.74 0.37 0.00 0.00 175.52 176.69 2ike h THR 106 N 0.18 1.30 -0.10 3.16 2.02 -1.38 -1.91 112.91 116.19 2ike h THR 106 Ca -0.02 -1.95 -0.16 0.00 0.77 0.00 0.00 66.41 65.05 2ike h THR 106 Cb 1.27 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2ike h THR 106 CO 0.11 0.61 -0.63 0.22 0.37 0.00 0.00 175.52 176.21 2ike h TYR 107 N 0.50 0.46 -0.12 3.16 3.20 -1.46 -2.67 116.97 120.04 2ike h TYR 107 Ca -0.03 -0.18 -0.16 0.00 3.14 0.00 0.00 58.73 61.49 2ike h TYR 107 Cb 1.32 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2ike h TYR 107 CO 0.07 0.89 -0.62 1.25 -1.64 0.00 0.00 178.16 178.11 2ike h LEU 108 N 0.26 0.48 -0.94 2.82 6.46 -1.31 -2.44 115.31 120.65 2ike h LEU 108 Ca -0.01 -0.28 -0.11 0.00 -0.12 0.00 0.00 57.88 57.36 2ike h LEU 108 Cb 1.16 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2ike h LEU 108 CO 0.10 0.98 -0.51 0.11 -0.62 0.00 0.00 178.44 178.51 2ike h LYS 109 N 0.31 0.06 0.00 1.25 1.57 -1.28 -2.89 116.57 115.59 2ike h LYS 109 Ca -0.01 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2ike h LYS 109 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2ike h LYS 109 CO 0.11 0.55 -0.62 -0.91 -0.57 0.00 0.00 179.45 178.01 2ike h ASN 110 N 0.05 0.00 -0.86 0.86 2.35 -1.37 -3.25 115.58 113.36 2ike h ASN 110 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 2ike h ASN 110 Cb 0.92 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.03 2ike h ASN 110 CO 0.07 0.62 0.73 -1.54 -1.65 0.00 0.00 177.43 175.66 2ike n SER 111 N -3.32 6.82 -4.93 5.81 3.41 -0.93 -4.82 113.62 115.66 2ike n SER 111 Ca 0.01 -3.57 -0.21 0.00 -0.26 0.00 0.00 58.87 54.84 2ike n SER 111 Cb 0.75 -0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 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 -3.96 5.06 -1.33 -3.33 1.01 -1.22 0.10 120.40 116.73 2ike s VAL 112 Ca 0.55 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2ike s VAL 112 Cb 0.44 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.96 2ike s VAL 112 CO 0.01 -0.32 3.08 0.00 0.00 0.00 0.00 175.10 177.86 2ike n ALA 114 N 3.35 -3.52 0.00 0.00 0.00 -1.26 -5.00 120.51 114.08 2ike n ALA 114 Ca 0.72 2.27 0.00 0.00 0.00 0.00 0.00 53.44 56.43 2ike n ALA 114 Cb 0.36 -4.47 0.00 0.00 0.00 0.00 0.00 19.45 15.33 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 1.78 3.24 0.41 0.00 0.00 -1.26 -4.90 105.19 104.46 2ike n GLY 115 Ca -0.39 -1.03 0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 -3.40 1.61 0.11 -1.96 -3.34 132.00 125.02 2ike h PRO 116 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 2ike h PRO 116 Cb 0.00 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 30.71 2ike h PRO 116 CO 0.00 0.00 -0.76 -1.83 -0.21 0.00 0.00 178.00 175.20 2ike s GLU 117 N -4.64 0.52 0.00 1.05 -1.05 -1.26 -4.93 118.70 108.39 2ike s GLU 117 Ca -0.04 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2ike s GLU 117 Cb 0.16 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 2ike s GLU 117 CO 0.57 -0.72 0.52 -0.40 0.95 0.00 0.00 175.26 176.18 2ike n ASP 118 N 5.08 0.00 -2.37 0.83 5.68 -1.26 -5.00 116.55 119.52 2ike n ASP 118 Ca -0.08 -1.21 -0.07 0.00 -0.50 0.00 0.00 54.79 52.93 2ike n ASP 118 Cb 0.46 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 2ike n ASP 118 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2ike n ASN 119 N 0.00 -2.66 -3.95 -1.12 3.02 -1.26 -4.89 115.26 104.40 2ike n ASN 119 Ca 0.00 0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.78 2ike n ASN 119 Cb 0.54 -2.34 -0.09 0.00 -0.61 0.00 0.00 39.78 37.28 2ike n ASN 119 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ike s SER 120 N -1.99 0.26 0.11 6.41 0.01 -1.26 -3.53 113.70 113.71 2ike s SER 120 Ca 0.00 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.51 2ike s SER 120 Cb 0.00 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 2ike s SER 120 CO 0.00 -0.64 0.01 -0.69 0.41 0.00 0.00 173.24 172.34 2ike s VAL 121 N -3.61 0.25 -0.19 3.43 1.01 0.59 -3.93 120.40 117.95 2ike s VAL 121 Ca 0.03 -1.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 2ike s VAL 121 Cb 0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2ike s VAL 121 CO -0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 175.10 174.27