#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 7.14 0.11 1.96 0.01 -1.26 0.11 113.70 121.76 2ike s SER 72 Ca 0.00 1.37 0.08 0.00 1.31 0.00 0.00 55.95 58.70 2ike s SER 72 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2ike s SER 72 CO 0.00 -0.13 -0.19 0.00 0.41 0.00 0.00 173.24 173.33 2ike s LEU 74 N -2.03 4.00 0.98 0.00 1.02 -1.26 -0.51 118.68 120.87 2ike s LEU 74 Ca 0.07 0.05 -0.11 0.00 0.02 0.00 0.00 54.13 54.16 2ike s LEU 74 Cb -0.09 -2.08 0.18 0.00 0.02 0.00 0.00 46.19 44.23 2ike s LEU 74 CO 0.04 0.04 1.11 0.42 0.02 0.00 0.00 176.35 177.98 2ike s THR 75 N 1.23 2.08 0.60 5.49 -4.23 -0.63 -4.70 115.64 115.48 2ike s THR 75 Ca 0.07 0.03 0.28 0.00 -1.18 0.00 0.00 61.69 60.88 2ike s THR 75 Cb -0.14 -2.06 0.37 0.00 1.34 0.00 0.00 72.50 72.00 2ike s THR 75 CO 0.06 -0.03 1.75 1.55 -0.54 0.00 0.00 174.62 177.40 2ike h PRO 76 N -2.07 0.00 -0.66 3.99 0.13 -1.92 1.25 132.00 132.72 2ike h PRO 76 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.44 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.96 2ike n ASP 77 N -3.50 3.68 -2.11 1.44 9.92 -1.26 -4.94 116.55 119.77 2ike n ASP 77 Ca 0.11 -2.00 -0.09 0.00 -0.53 0.00 0.00 54.79 52.28 2ike n ASP 77 Cb 0.84 -0.44 0.04 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 1.53 -2.69 -4.47 -2.24 3.02 0.43 -5.04 115.26 105.79 2ike n ASN 78 Ca 0.23 -0.29 -0.34 0.00 -0.03 0.00 0.00 54.58 54.15 2ike n ASN 78 Cb 0.59 -2.72 -0.12 0.00 -0.61 0.00 0.00 39.78 36.92 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 -4.97 3.63 -0.03 3.52 2.36 -1.24 -4.79 119.74 118.22 2ike s LYS 79 Ca 0.09 -0.53 -0.38 0.00 -2.55 0.00 0.00 55.97 52.60 2ike s LYS 79 Cb -0.04 -2.96 -0.16 0.00 -1.05 0.00 0.00 37.83 33.62 2ike s LYS 79 CO 0.35 0.16 1.46 -2.30 1.55 0.00 0.00 175.35 176.56 2ike n PRO 80 N 3.79 1.12 -0.34 4.03 -0.02 -1.26 -1.60 135.00 140.71 2ike n PRO 80 Ca -0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2ike n PRO 80 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.00 3.63 3.12 -1.23 0.00 0.33 -4.83 105.19 109.21 2ike n GLY 81 Ca 0.21 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 2ike n GLY 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ike s LYS 82 N 0.27 0.69 -0.17 1.61 2.20 0.21 -1.83 119.74 122.72 2ike s LYS 82 Ca 0.00 -0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 54.65 2ike s LYS 82 Cb 0.00 -0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 35.85 2ike s LYS 82 CO 0.00 0.08 -0.10 0.00 -0.36 0.00 0.00 175.35 174.97 2ike s VAL 84 N 0.80 0.17 0.65 0.00 -7.23 0.15 -3.49 120.40 111.45 2ike s VAL 84 Ca -0.04 -1.38 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 2ike s VAL 84 Cb -0.15 -1.13 0.16 0.00 0.56 0.00 0.00 36.38 35.82 2ike s VAL 84 CO 0.01 -0.76 0.37 0.59 -0.31 0.00 0.00 175.10 175.00 2ike n ASN 85 N 0.49 -2.82 -2.51 4.85 3.02 -1.26 -1.20 115.26 115.83 2ike n ASN 85 Ca -0.17 -0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 53.73 2ike n ASN 85 Cb 0.60 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 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 -4.15 3.33 -2.01 2.41 0.13 -1.20 -3.89 119.36 113.99 2ike n ILE 86 Ca 0.06 -3.06 -0.04 0.00 -1.10 0.00 0.00 62.75 58.61 2ike n ILE 86 Cb 0.25 -1.56 -0.02 0.00 -0.84 0.00 0.00 39.64 37.47 2ike n ILE 86 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2ike n LYS 87 N 0.76 0.20 0.00 9.51 5.02 -1.26 -4.99 118.16 127.40 2ike n LYS 87 Ca 0.49 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2ike n LYS 87 Cb 0.53 0.46 0.00 0.00 -0.02 0.00 0.00 35.03 36.00 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 -0.23 0.00 -1.69 1.97 3.00 -1.25 -5.07 118.16 114.89 2ike n LYS 88 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.71 2ike n LYS 88 Cb 0.60 -0.15 -0.03 0.00 0.00 0.00 0.00 35.03 35.45 2ike n LYS 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ike h THR 90 N 4.89 1.00 -0.36 0.00 1.35 -1.99 -1.89 112.91 115.90 2ike h THR 90 Ca -0.47 -0.14 -0.06 0.00 -0.55 0.00 0.00 66.41 65.19 2ike h THR 90 Cb 1.22 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2ike h THR 90 CO 0.95 0.07 -0.03 0.45 -0.25 0.00 0.00 175.52 176.72 2ike h HIS 91 N 0.40 0.73 -0.82 4.73 3.86 -2.00 -2.55 115.15 119.49 2ike h HIS 91 Ca 0.18 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2ike h HIS 91 Cb 0.20 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2ike h HIS 91 CO -0.00 0.77 0.45 -0.07 0.86 0.00 0.00 177.93 179.95 2ike h LEU 92 N 0.47 1.01 -1.23 2.43 4.07 -1.74 -2.01 115.31 118.31 2ike h LEU 92 Ca 0.10 -0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 2ike h LEU 92 Cb 0.50 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2ike h LEU 92 CO 0.02 0.81 -0.12 0.00 -1.08 0.00 0.00 178.44 178.07 2ike h ALA 93 N 1.36 1.36 -0.36 1.53 0.00 -1.28 -2.04 119.26 119.83 2ike h ALA 93 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2ike h ALA 93 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ike h ALA 93 CO -0.05 0.44 -0.13 0.93 0.00 0.00 0.00 179.25 180.44 2ike h GLU 94 N 0.36 0.73 -0.30 0.00 5.08 -0.96 -2.46 114.58 117.04 2ike h GLU 94 Ca 0.07 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2ike h GLU 94 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2ike h GLU 94 CO 0.02 0.90 -0.18 0.82 -1.00 0.00 0.00 179.01 179.58 2ike h ILE 95 N 0.52 1.25 -0.20 3.13 1.08 -1.22 -0.19 117.51 121.89 2ike h ILE 95 Ca 0.09 -1.15 -0.09 0.00 -0.39 0.00 0.00 64.86 63.32 2ike h ILE 95 Cb 0.66 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2ike h ILE 95 CO 0.04 0.37 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.53 2ike h GLU 96 N 0.48 0.37 0.05 2.37 4.57 -1.25 -2.94 114.58 118.23 2ike h GLU 96 Ca 0.08 -0.14 -0.25 0.00 -1.18 0.00 0.00 59.36 57.87 2ike h GLU 96 Cb 0.59 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2ike h GLU 96 CO 0.04 0.62 -1.23 1.49 -1.18 0.00 0.00 179.01 178.74 2ike h GLU 97 N 0.33 0.11 -6.76 1.92 4.22 -1.10 -3.47 114.58 109.83 2ike h GLU 97 Ca 0.05 -0.18 -0.44 0.00 0.08 0.00 0.00 59.36 58.87 2ike h GLU 97 Cb 0.65 0.07 0.04 0.00 0.50 0.00 0.00 28.75 30.01 2ike h GLU 97 CO 0.05 1.01 -0.08 -0.51 -2.18 0.00 0.00 179.01 177.30 2ike s ASP 98 N -6.78 5.32 0.87 1.04 1.11 -0.11 -5.06 116.67 113.05 2ike s ASP 98 Ca -0.03 -0.12 -0.15 0.00 0.18 0.00 0.00 52.55 52.44 2ike s ASP 98 Cb 0.09 -0.78 -0.02 0.00 1.07 0.00 0.00 42.92 43.28 2ike s ASP 98 CO 0.84 -1.09 0.29 -2.65 1.18 0.00 0.00 175.17 173.73 2ike n PRO 99 N -2.26 -0.04 -4.26 8.23 -0.02 -1.26 -4.81 135.00 130.58 2ike n PRO 99 Ca 0.08 0.03 -0.26 0.00 -2.02 0.00 0.00 63.50 61.33 2ike n PRO 99 Cb 0.60 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 2ike n PRO 99 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ike s ILE 100 N -2.17 3.43 0.15 4.25 -1.09 -1.26 -4.89 121.20 119.62 2ike s ILE 100 Ca 0.58 -1.61 -0.18 0.00 -2.23 0.00 0.00 60.65 57.21 2ike s ILE 100 Cb -0.26 -2.73 0.04 0.00 -1.58 0.00 0.00 42.46 37.93 2ike s ILE 100 CO 0.66 -0.15 0.47 -0.83 -1.23 0.00 0.00 174.94 173.86 2ike s GLY 101 N -3.01 -0.29 0.50 6.18 0.00 -1.26 -5.03 107.32 104.41 2ike s GLY 101 Ca 0.27 0.01 0.14 0.00 0.00 0.00 0.00 44.72 45.14 2ike s GLY 101 CO 0.17 -0.21 2.13 1.05 0.00 0.00 0.00 173.10 176.24 2ike h GLU 102 N 2.25 0.12 -0.27 2.90 4.11 -2.00 -1.31 114.58 120.38 2ike h GLU 102 Ca -0.33 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.05 2ike h GLU 102 Cb 1.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2ike h GLU 102 CO 0.43 0.08 -0.05 0.22 0.07 0.00 0.00 179.01 179.76 2ike h ASP 103 N 0.12 0.40 0.34 3.06 1.82 -2.00 -2.01 116.42 118.15 2ike h ASP 103 Ca 0.04 -0.08 -0.17 0.00 -0.39 0.00 0.00 57.03 56.43 2ike h ASP 103 Cb 0.01 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2ike h ASP 103 CO -0.01 0.51 -0.68 -0.33 -1.61 0.00 0.00 179.24 177.11 2ike h GLU 104 N 0.41 0.31 -0.06 0.28 4.39 -1.65 -2.77 114.58 115.49 2ike h GLU 104 Ca 0.09 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 2ike h GLU 104 Cb 0.35 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2ike h GLU 104 CO 0.02 0.88 -0.53 1.15 -1.16 0.00 0.00 179.01 179.36 2ike h THR 105 N 0.22 1.37 -0.10 1.13 2.02 -1.24 -2.82 112.91 113.48 2ike h THR 105 Ca -0.02 -1.82 -0.17 0.00 0.77 0.00 0.00 66.41 65.17 2ike h THR 105 Cb 1.23 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 2ike h THR 105 CO 0.11 0.53 -0.65 0.74 0.37 0.00 0.00 175.52 176.63 2ike h THR 106 N 0.13 1.37 -0.22 3.16 2.02 -1.30 -2.76 112.91 115.31 2ike h THR 106 Ca 0.00 -2.01 -0.11 0.00 0.77 0.00 0.00 66.41 65.06 2ike h THR 106 Cb 0.98 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 2ike h THR 106 CO 0.08 0.60 -0.33 0.22 0.37 0.00 0.00 175.52 176.46 2ike h TYR 107 N 0.28 0.54 -0.15 3.16 3.20 -1.36 -2.61 116.97 120.03 2ike h TYR 107 Ca -0.01 -0.13 -0.15 0.00 3.14 0.00 0.00 58.73 61.57 2ike h TYR 107 Cb 1.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2ike h TYR 107 CO 0.04 0.75 -0.54 1.25 -1.64 0.00 0.00 178.16 178.02 2ike h LEU 108 N 0.40 0.50 -1.00 2.82 6.46 -1.43 -2.37 115.31 120.68 2ike h LEU 108 Ca 0.05 -0.26 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 2ike h LEU 108 Cb 0.78 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2ike h LEU 108 CO 0.06 0.94 -0.39 0.50 -0.62 0.00 0.00 178.44 178.93 2ike h LYS 109 N 0.35 0.22 0.00 1.25 3.64 -1.30 -2.79 116.57 117.94 2ike h LYS 109 Ca 0.01 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 2ike h LYS 109 Cb 1.06 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2ike h LYS 109 CO 0.10 0.58 -0.75 -0.91 -2.27 0.00 0.00 179.45 176.20 2ike h ASN 110 N 0.19 0.00 -1.11 4.20 2.35 -1.34 -3.25 115.58 116.62 2ike h ASN 110 Ca 0.02 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.10 2ike h ASN 110 Cb 0.77 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.84 2ike h ASN 110 CO 0.06 0.75 0.66 -1.54 -1.65 0.00 0.00 177.43 175.71 2ike n SER 111 N -3.42 7.29 -4.80 5.81 3.41 -0.91 -4.79 113.62 116.22 2ike n SER 111 Ca 0.00 -3.79 -0.37 0.00 -0.26 0.00 0.00 58.87 54.45 2ike n SER 111 Cb 0.79 -0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 63.77 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 -4.85 5.25 -0.40 -3.33 0.11 -1.15 0.13 120.40 116.17 2ike s VAL 112 Ca 0.61 0.58 0.06 0.00 -2.93 0.00 0.00 61.98 60.31 2ike s VAL 112 Cb 0.49 -3.61 0.53 0.00 -1.53 0.00 0.00 36.38 32.25 2ike s VAL 112 CO -0.06 0.51 1.51 0.00 -3.33 0.00 0.00 175.10 173.73 2ike n ALA 114 N -0.08 -0.88 -1.75 0.00 0.00 -1.26 -4.90 120.51 111.63 2ike n ALA 114 Ca 0.30 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 2ike n ALA 114 Cb 1.11 -2.87 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.21 1.02 0.16 0.00 0.00 -1.26 -4.93 105.19 98.97 2ike n GLY 115 Ca -0.13 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2ike n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ike h PRO 116 N 2.97 0.44 -3.27 1.61 0.13 -2.01 -3.46 132.00 128.41 2ike h PRO 116 Ca -0.49 -0.45 -0.05 0.00 -0.87 0.00 0.00 66.00 64.14 2ike h PRO 116 Cb 1.25 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2ike h PRO 116 CO 0.65 1.11 0.14 -2.00 -0.23 0.00 0.00 178.00 177.66 2ike s GLU 117 N -3.33 2.00 0.00 0.86 2.56 -1.26 -4.92 118.70 114.61 2ike s GLU 117 Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 54.97 53.54 2ike s GLU 117 Cb 0.09 0.57 0.00 0.00 2.00 0.00 0.00 34.13 36.79 2ike s GLU 117 CO 0.87 -0.91 0.00 -0.25 -0.56 0.00 0.00 175.26 174.41 2ike n ASP 118 N -1.08 -4.28 -2.97 -1.70 9.92 -1.26 -4.34 116.55 110.83 2ike n ASP 118 Ca -0.05 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.20 2ike n ASP 118 Cb 0.60 -2.04 -0.01 0.00 -0.64 0.00 0.00 41.12 39.03 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 -0.50 -5.98 -4.95 -2.24 2.85 -1.26 -4.55 115.26 98.63 2ike n ASN 119 Ca 0.00 0.95 -0.23 0.00 -0.11 0.00 0.00 54.58 55.19 2ike n ASN 119 Cb 0.25 -2.71 -0.00 0.00 1.24 0.00 0.00 39.78 38.55 2ike n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2ike s SER 120 N -0.58 6.05 0.05 1.20 0.15 -1.26 -3.22 113.70 116.09 2ike s SER 120 Ca -0.06 0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 2ike s SER 120 Cb 0.00 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 2ike s SER 120 CO 0.25 -0.48 0.10 -0.69 1.20 0.00 0.00 173.24 173.62 2ike s VAL 121 N -2.38 0.15 -0.14 4.45 1.01 -0.34 -4.54 120.40 118.60 2ike s VAL 121 Ca 0.44 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2ike s VAL 121 Cb -0.10 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2ike s VAL 121 CO 0.36 -0.69 -0.09 0.00 0.00 0.00 0.00 175.10 174.68