#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 6.75 0.14 1.96 0.01 -1.26 0.13 113.70 121.42 2ike s SER 72 Ca 0.00 0.91 0.08 0.00 1.31 0.00 0.00 55.95 58.26 2ike s SER 72 Cb 0.00 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2ike s SER 72 CO 0.00 -0.31 -0.19 0.00 0.41 0.00 0.00 173.24 173.14 2ike s LEU 74 N -2.34 4.11 0.93 0.00 1.02 -1.26 -1.91 118.68 119.23 2ike s LEU 74 Ca 0.12 0.49 -0.11 0.00 0.02 0.00 0.00 54.13 54.64 2ike s LEU 74 Cb -0.08 -2.55 0.15 0.00 0.02 0.00 0.00 46.19 43.73 2ike s LEU 74 CO 0.06 -0.16 1.09 0.42 0.02 0.00 0.00 176.35 177.78 2ike s THR 75 N 1.74 2.52 0.59 5.49 -4.23 -1.12 -4.76 115.64 115.87 2ike s THR 75 Ca 0.19 0.17 0.29 0.00 -1.18 0.00 0.00 61.69 61.16 2ike s THR 75 Cb -0.15 -2.55 0.38 0.00 1.34 0.00 0.00 72.50 71.52 2ike s THR 75 CO 0.09 -0.22 1.84 1.55 -0.54 0.00 0.00 174.62 177.33 2ike h PRO 76 N -1.72 0.00 -0.55 3.99 0.13 -1.93 1.13 132.00 133.05 2ike h PRO 76 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ike h PRO 76 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ike h PRO 76 CO 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 2ike n ASP 77 N -3.64 3.13 -2.87 1.44 9.92 -1.26 -4.93 116.55 118.33 2ike n ASP 77 Ca 0.10 -1.98 -0.17 0.00 -0.53 0.00 0.00 54.79 52.21 2ike n ASP 77 Cb 0.76 -0.37 0.06 0.00 -0.64 0.00 0.00 41.12 40.93 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 1.22 -4.24 -4.43 -2.24 4.13 0.39 -5.01 115.26 105.08 2ike n ASN 78 Ca 0.20 -0.43 -0.37 0.00 1.68 0.00 0.00 54.58 55.65 2ike n ASN 78 Cb 0.50 -4.00 -0.12 0.00 -1.54 0.00 0.00 39.78 34.62 2ike n ASN 78 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2ike s LYS 79 N -5.68 3.53 -0.18 3.52 2.47 -1.25 -4.82 119.74 117.33 2ike s LYS 79 Ca 0.30 -0.56 -0.38 0.00 -1.56 0.00 0.00 55.97 53.76 2ike s LYS 79 Cb -0.13 -3.35 -0.15 0.00 -1.46 0.00 0.00 37.83 32.73 2ike s LYS 79 CO 0.56 -0.25 1.72 -2.30 0.16 0.00 0.00 175.35 175.23 2ike n PRO 80 N 4.92 1.38 0.00 4.03 -0.02 -1.26 -2.81 135.00 141.24 2ike n PRO 80 Ca -0.16 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2ike n PRO 80 Cb 0.51 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 4.00 4.47 3.11 -1.23 0.00 -0.80 -4.86 105.19 109.88 2ike n GLY 81 Ca 0.24 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 1.37 0.66 -0.18 1.61 1.02 -0.04 -2.30 119.74 121.88 2ike s LYS 82 Ca 0.00 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 2ike s LYS 82 Cb 0.00 -0.49 -0.02 0.00 -0.52 0.00 0.00 37.83 36.80 2ike s LYS 82 CO 0.00 0.10 -0.03 0.00 -0.92 0.00 0.00 175.35 174.49 2ike s VAL 84 N 0.82 0.17 1.20 0.00 -7.23 -0.07 -3.49 120.40 111.80 2ike s VAL 84 Ca -0.01 -1.43 -0.18 0.00 -1.81 0.00 0.00 61.98 58.55 2ike s VAL 84 Cb -0.14 -1.15 0.24 0.00 0.56 0.00 0.00 36.38 35.89 2ike s VAL 84 CO 0.02 -0.79 0.52 0.59 -0.31 0.00 0.00 175.10 175.13 2ike n ASN 85 N 0.49 -3.19 -0.02 4.85 4.13 -1.26 -1.43 115.26 118.83 2ike n ASN 85 Ca -0.17 -0.49 0.16 0.00 1.68 0.00 0.00 54.58 55.76 2ike n ASN 85 Cb 0.60 -0.92 0.87 0.00 -1.54 0.00 0.00 39.78 38.79 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 -4.94 0.00 -1.08 2.41 -6.64 -0.87 -3.13 119.36 105.12 2ike n ILE 86 Ca 0.07 -0.01 0.05 0.00 -1.77 0.00 0.00 62.75 61.09 2ike n ILE 86 Cb 0.49 -0.45 0.26 0.00 -1.44 0.00 0.00 39.64 38.50 2ike n ILE 86 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2ike n LYS 87 N -1.04 2.91 0.00 6.28 5.02 -1.26 -4.54 118.16 125.53 2ike n LYS 87 Ca 0.21 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 2ike n LYS 87 Cb 0.16 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 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 -0.53 0.06 -1.63 1.97 4.81 -1.18 -5.06 118.16 116.59 2ike n LYS 88 Ca 0.26 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.24 2ike n LYS 88 Cb 0.99 -0.59 -0.04 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 6.06 1.21 -0.60 0.00 1.35 -1.96 -2.60 112.91 116.37 2ike h THR 90 Ca -0.45 -0.98 0.01 0.00 -0.55 0.00 0.00 66.41 64.44 2ike h THR 90 Cb 1.26 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 2ike h THR 90 CO 0.96 0.30 0.40 0.45 -0.25 0.00 0.00 175.52 177.37 2ike h HIS 91 N 0.18 0.74 -0.50 4.73 3.86 -1.99 -1.88 115.15 120.29 2ike h HIS 91 Ca 0.03 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 2ike h HIS 91 Cb 0.49 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2ike h HIS 91 CO 0.01 0.46 -0.17 1.25 0.86 0.00 0.00 177.93 180.34 2ike h LEU 92 N 0.79 1.01 -1.21 2.43 7.12 -1.84 -2.77 115.31 120.85 2ike h LEU 92 Ca 0.22 -0.38 -0.06 0.00 0.13 0.00 0.00 57.88 57.79 2ike h LEU 92 Cb -0.06 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.78 2ike h LEU 92 CO -0.05 1.16 -0.12 0.00 -0.13 0.00 0.00 178.44 179.29 2ike h ALA 93 N 0.89 1.34 -0.53 1.25 0.00 -1.36 -2.30 119.26 118.55 2ike h ALA 93 Ca 0.12 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2ike h ALA 93 Cb 0.74 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2ike h ALA 93 CO 0.06 0.44 -0.06 0.93 0.00 0.00 0.00 179.25 180.63 2ike h GLU 94 N 0.37 0.98 -0.26 0.00 4.39 -1.17 -2.41 114.58 116.48 2ike h GLU 94 Ca 0.07 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.33 2ike h GLU 94 Cb 0.45 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2ike h GLU 94 CO 0.03 1.01 -0.27 0.82 -1.16 0.00 0.00 179.01 179.44 2ike h ILE 95 N 0.85 1.27 -0.15 3.13 2.04 -1.22 0.16 117.51 123.59 2ike h ILE 95 Ca 0.14 -1.31 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 2ike h ILE 95 Cb 0.61 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2ike h ILE 95 CO 0.04 0.42 -0.33 -0.33 0.00 0.00 0.00 178.15 177.95 2ike h GLU 96 N 0.44 0.30 0.05 2.37 4.39 -1.23 -3.05 114.58 117.85 2ike h GLU 96 Ca 0.06 -0.12 -0.28 0.00 0.34 0.00 0.00 59.36 59.36 2ike h GLU 96 Cb 0.70 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2ike h GLU 96 CO 0.05 0.60 -1.50 1.49 -1.16 0.00 0.00 179.01 178.49 2ike h GLU 97 N 0.26 0.10 -7.19 2.33 4.81 -1.15 -3.47 114.58 110.27 2ike h GLU 97 Ca 0.03 -0.17 -0.50 0.00 -0.13 0.00 0.00 59.36 58.59 2ike h GLU 97 Cb 0.71 0.06 0.05 0.00 0.63 0.00 0.00 28.75 30.20 2ike h GLU 97 CO 0.05 0.86 0.29 -0.51 -0.73 0.00 0.00 179.01 178.98 2ike s ASP 98 N -6.59 6.22 0.79 1.04 1.11 0.52 -5.07 116.67 114.71 2ike s ASP 98 Ca -0.06 1.21 -0.04 0.00 0.18 0.00 0.00 52.55 53.85 2ike s ASP 98 Cb 0.08 -2.36 0.06 0.00 1.07 0.00 0.00 42.92 41.76 2ike s ASP 98 CO 0.83 -0.76 0.13 -2.65 1.18 0.00 0.00 175.17 173.89 2ike n PRO 99 N -2.56 -1.19 -2.24 8.23 -0.02 -1.26 -4.84 135.00 131.12 2ike n PRO 99 Ca 0.04 -0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.06 2ike n PRO 99 Cb 0.55 -0.34 0.15 0.00 -0.02 0.00 0.00 33.50 33.83 2ike n PRO 99 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2ike n ILE 100 N -3.17 0.00 0.00 4.25 -5.35 -1.26 -4.91 119.36 108.91 2ike n ILE 100 Ca 0.02 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.20 2ike n ILE 100 Cb 0.09 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 36.83 2ike n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ike n GLY 101 N -2.87 3.37 0.26 3.28 0.00 -1.26 -4.97 105.19 103.00 2ike n GLY 101 Ca 0.16 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.10 0.00 1.61 4.57 -2.00 -1.10 114.58 117.76 2ike h GLU 102 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2ike h GLU 102 Cb 0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2ike h GLU 102 CO 0.00 0.09 -0.16 -0.44 -1.18 0.00 0.00 179.01 177.32 2ike h ASP 103 N 0.10 0.00 0.39 1.04 3.32 -1.99 -1.20 116.42 118.08 2ike h ASP 103 Ca 0.03 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 2ike h ASP 103 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2ike h ASP 103 CO -0.00 0.16 -0.85 -0.33 -1.72 0.00 0.00 179.24 176.49 2ike h GLU 104 N 0.00 0.34 -0.07 3.56 3.07 -1.57 -2.28 114.58 117.63 2ike h GLU 104 Ca -0.00 -0.34 -0.20 0.00 -0.50 0.00 0.00 59.36 58.32 2ike h GLU 104 Cb 0.31 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2ike h GLU 104 CO 0.02 1.01 -0.79 1.15 -1.40 0.00 0.00 179.01 179.00 2ike h THR 105 N 0.20 1.37 -0.09 1.13 2.02 -1.31 -2.74 112.91 113.50 2ike h THR 105 Ca -0.05 -2.20 -0.16 0.00 0.77 0.00 0.00 66.41 64.76 2ike h THR 105 Cb 1.47 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 2ike h THR 105 CO 0.14 0.66 -0.64 0.00 0.37 0.00 0.00 175.52 176.06 2ike h THR 106 N 0.29 1.38 -0.17 3.16 1.03 -1.26 -2.58 112.91 114.75 2ike h THR 106 Ca -0.05 -2.01 -0.12 0.00 -0.01 0.00 0.00 66.41 64.22 2ike h THR 106 Cb 1.39 2.01 -0.01 0.00 -1.07 0.00 0.00 68.15 70.46 2ike h THR 106 CO 0.14 0.60 -0.42 1.88 -0.01 0.00 0.00 175.52 177.71 2ike h TYR 107 N 0.24 0.47 -0.21 0.00 0.05 -1.39 -1.99 116.97 114.14 2ike h TYR 107 Ca -0.01 -0.14 -0.18 0.00 0.05 0.00 0.00 58.73 58.45 2ike h TYR 107 Cb 1.17 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.81 2ike h TYR 107 CO 0.03 0.76 -0.61 1.25 -1.05 0.00 0.00 178.16 178.54 2ike h LEU 108 N 0.33 0.80 -0.93 3.88 5.85 -1.40 -2.49 115.31 121.34 2ike h LEU 108 Ca 0.03 -0.45 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 2ike h LEU 108 Cb 0.88 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2ike h LEU 108 CO 0.07 1.22 -0.51 0.11 -0.34 0.00 0.00 178.44 178.99 2ike h LYS 109 N 0.52 0.00 0.00 1.25 1.57 -1.36 -2.94 116.57 115.62 2ike h LYS 109 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2ike h LYS 109 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2ike h LYS 109 CO 0.12 0.51 -0.79 -0.91 -0.57 0.00 0.00 179.45 177.81 2ike h ASN 110 N 0.00 0.00 -1.14 0.86 2.35 -1.28 -3.24 115.58 113.13 2ike h ASN 110 Ca -0.01 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.08 2ike h ASN 110 Cb 0.95 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.99 2ike h ASN 110 CO 0.07 0.79 0.47 -1.20 -1.65 0.00 0.00 177.43 175.91 2ike n SER 111 N -3.58 6.94 -4.73 5.81 7.64 -0.95 -4.37 113.62 120.38 2ike n SER 111 Ca -0.01 -3.79 -0.39 0.00 1.01 0.00 0.00 58.87 55.70 2ike n SER 111 Cb 0.77 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 2ike n SER 111 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ike s VAL 112 N -4.86 5.01 -0.51 0.44 -7.23 -1.17 -1.02 120.40 111.05 2ike s VAL 112 Ca 0.59 1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 62.11 2ike s VAL 112 Cb 0.47 -3.99 0.44 0.00 0.56 0.00 0.00 36.38 33.86 2ike s VAL 112 CO -0.08 0.31 1.95 0.00 -0.31 0.00 0.00 175.10 176.98 2ike n ALA 114 N -0.66 -3.37 -3.65 0.00 0.00 -1.26 -4.79 120.51 106.77 2ike n ALA 114 Ca 0.53 1.93 -0.00 0.00 0.00 0.00 0.00 53.44 55.90 2ike n ALA 114 Cb 0.91 -3.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.43 2ike n ALA 114 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ike s GLY 115 N -0.60 0.42 -0.04 0.00 0.00 -1.26 -4.69 107.32 101.16 2ike s GLY 115 Ca -0.22 3.59 -0.34 0.00 0.00 0.00 0.00 44.72 47.74 2ike s GLY 115 CO 0.59 2.51 1.79 -1.05 0.00 0.00 0.00 173.10 176.95 2ike n PRO 116 N 2.83 2.09 0.00 2.90 -0.02 -1.26 -4.06 135.00 137.48 2ike n PRO 116 Ca -0.16 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2ike n PRO 116 Cb 0.57 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2ike n PRO 116 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ike n GLU 117 N 5.74 0.00 -3.64 -0.52 1.02 -1.26 -4.48 120.64 117.50 2ike n GLU 117 Ca 0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.24 2ike n GLU 117 Cb 0.28 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.63 2ike n GLU 117 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ike s ASP 118 N -3.87 -0.80 0.00 1.62 1.01 -1.26 -5.02 116.67 108.36 2ike s ASP 118 Ca 0.00 1.41 0.00 0.00 0.71 0.00 0.00 52.55 54.67 2ike s ASP 118 Cb 0.00 1.36 0.00 0.00 1.01 0.00 0.00 42.92 45.29 2ike s ASP 118 CO 0.00 -0.24 0.00 -3.20 0.21 0.00 0.00 175.17 171.94 2ike n ASN 119 N 3.42 0.00 -4.19 0.27 2.85 -1.26 -4.99 115.26 111.36 2ike n ASN 119 Ca -0.17 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.01 2ike n ASN 119 Cb 0.57 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.42 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 -0.87 2.60 0.08 1.20 0.01 -1.26 -2.04 113.70 113.42 2ike s SER 120 Ca 0.00 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 2ike s SER 120 Cb 0.00 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 2ike s SER 120 CO 0.00 0.18 0.02 -0.69 0.41 0.00 0.00 173.24 173.16 2ike s VAL 121 N 0.04 0.17 -0.19 3.43 1.01 -0.52 -2.21 120.40 122.14 2ike s VAL 121 Ca -0.06 -1.81 -0.03 0.00 0.00 0.00 0.00 61.98 60.08 2ike s VAL 121 Cb -0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2ike s VAL 121 CO 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 175.10 174.29