#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 7.16 0.22 1.96 0.01 -1.26 0.12 113.70 121.91 2ike s SER 72 Ca 0.00 1.43 0.09 0.00 1.31 0.00 0.00 55.95 58.78 2ike s SER 72 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2ike s SER 72 CO 0.00 -0.48 -0.16 0.00 0.41 0.00 0.00 173.24 173.01 2ike s LEU 74 N -3.37 4.15 1.15 0.00 1.02 -1.26 -1.14 118.68 119.23 2ike s LEU 74 Ca 0.24 0.53 -0.13 0.00 0.02 0.00 0.00 54.13 54.80 2ike s LEU 74 Cb -0.02 -2.54 0.28 0.00 0.02 0.00 0.00 46.19 43.93 2ike s LEU 74 CO 0.09 -0.09 1.04 0.42 0.02 0.00 0.00 176.35 177.82 2ike s THR 75 N 1.36 2.02 0.59 5.49 -4.23 -0.19 -4.68 115.64 116.00 2ike s THR 75 Ca 0.20 0.01 0.29 0.00 -1.18 0.00 0.00 61.69 61.00 2ike s THR 75 Cb -0.15 -2.07 0.38 0.00 1.34 0.00 0.00 72.50 72.00 2ike s THR 75 CO 0.08 -0.01 1.90 -0.65 -0.54 0.00 0.00 174.62 175.41 2ike h PRO 76 N -2.58 0.00 -0.52 3.99 0.11 -1.91 0.88 132.00 131.97 2ike h PRO 76 Ca -0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.51 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 -3.73 3.22 -1.93 -2.05 8.00 -1.26 -4.93 116.55 113.87 2ike n ASP 77 Ca 0.08 -1.97 -0.10 0.00 0.71 0.00 0.00 54.79 53.51 2ike n ASP 77 Cb 0.66 -0.34 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 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 1.28 -3.74 -4.66 -2.24 4.13 0.30 -5.04 115.26 105.29 2ike n ASN 78 Ca 0.20 -0.25 -0.35 0.00 1.68 0.00 0.00 54.58 55.86 2ike n ASN 78 Cb 0.53 -2.56 -0.10 0.00 -1.54 0.00 0.00 39.78 36.11 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 -5.47 3.08 0.01 3.52 2.20 -1.25 -4.77 119.74 117.06 2ike s LYS 79 Ca 0.23 -0.41 -0.35 0.00 -0.36 0.00 0.00 55.97 55.08 2ike s LYS 79 Cb -0.10 -2.82 -0.14 0.00 -1.51 0.00 0.00 37.83 33.26 2ike s LYS 79 CO 0.33 0.65 1.66 -2.30 -0.36 0.00 0.00 175.35 175.33 2ike n PRO 80 N 2.31 1.87 -0.42 4.03 -0.02 -1.26 -1.03 135.00 140.49 2ike n PRO 80 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2ike n PRO 80 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.71 3.40 3.13 -1.23 0.00 -0.30 -4.81 105.19 109.09 2ike n GLY 81 Ca 0.20 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 0.05 0.72 -0.19 1.61 1.02 0.20 -1.66 119.74 121.50 2ike s LYS 82 Ca 0.00 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 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 0.09 -0.02 0.00 -0.92 0.00 0.00 175.35 174.49 2ike s VAL 84 N 0.85 0.36 0.79 0.00 -7.23 0.10 -3.45 120.40 111.82 2ike s VAL 84 Ca -0.00 -1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 2ike s VAL 84 Cb -0.14 -1.26 0.17 0.00 0.56 0.00 0.00 36.38 35.71 2ike s VAL 84 CO 0.02 -0.82 0.39 0.59 -0.31 0.00 0.00 175.10 174.97 2ike n ASN 85 N 0.45 -2.78 -1.19 4.85 4.13 -1.26 -1.21 115.26 118.25 2ike n ASN 85 Ca -0.16 -0.39 0.11 0.00 1.68 0.00 0.00 54.58 55.82 2ike n ASN 85 Cb 0.59 -0.57 0.27 0.00 -1.54 0.00 0.00 39.78 38.53 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 -4.17 0.71 -2.10 2.41 -6.64 -1.26 -4.18 119.36 104.11 2ike n ILE 86 Ca 0.06 -0.82 0.02 0.00 -1.77 0.00 0.00 62.75 60.24 2ike n ILE 86 Cb 0.27 0.69 0.10 0.00 -1.44 0.00 0.00 39.64 39.26 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 1.46 1.21 0.00 6.28 0.00 -1.26 -4.80 118.16 121.05 2ike n LYS 87 Ca 0.21 -2.92 0.00 0.00 -0.00 0.00 0.00 58.31 55.60 2ike n LYS 87 Cb 0.58 -1.07 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 2ike n LYS 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2ike n LYS 88 N -0.41 0.00 -2.34 -1.58 2.85 -1.26 -5.09 118.16 110.33 2ike n LYS 88 Ca 0.16 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.00 2ike n LYS 88 Cb 0.90 -0.37 -0.03 0.00 -0.65 0.00 0.00 35.03 34.88 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 3.83 1.01 -0.66 0.00 2.02 -1.98 -1.40 112.91 115.73 2ike h THR 90 Ca -0.44 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 66.61 2ike h THR 90 Cb 1.21 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2ike h THR 90 CO 0.76 0.08 0.43 0.45 0.37 0.00 0.00 175.52 177.62 2ike h HIS 91 N 0.45 0.77 -0.39 3.16 3.86 -2.00 -1.77 115.15 119.24 2ike h HIS 91 Ca 0.19 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.28 2ike h HIS 91 Cb 0.21 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2ike h HIS 91 CO -0.00 0.46 -0.33 1.25 0.86 0.00 0.00 177.93 180.17 2ike h LEU 92 N 0.81 0.92 -1.25 2.43 7.12 -1.59 -2.75 115.31 120.99 2ike h LEU 92 Ca 0.26 -0.39 -0.06 0.00 0.13 0.00 0.00 57.88 57.81 2ike h LEU 92 Cb 0.03 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.89 2ike h LEU 92 CO -0.07 1.17 -0.13 0.00 -0.13 0.00 0.00 178.44 179.28 2ike h ALA 93 N 0.88 1.38 -0.37 1.25 0.00 -1.23 -2.39 119.26 118.79 2ike h ALA 93 Ca 0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 2ike h ALA 93 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2ike h ALA 93 CO 0.08 0.42 -0.36 1.49 0.00 0.00 0.00 179.25 180.88 2ike h GLU 94 N 0.33 0.87 -0.28 0.00 4.22 -1.20 -2.68 114.58 115.84 2ike h GLU 94 Ca 0.07 -0.44 -0.09 0.00 0.08 0.00 0.00 59.36 58.97 2ike h GLU 94 Cb 0.43 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ike h GLU 94 CO 0.03 1.08 -0.21 0.82 -2.18 0.00 0.00 179.01 178.55 2ike h ILE 95 N 0.72 1.26 -0.09 2.32 2.04 -1.20 -2.70 117.51 119.85 2ike h ILE 95 Ca 0.06 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.60 2ike h ILE 95 Cb 0.94 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2ike h ILE 95 CO 0.09 0.39 -0.44 -0.08 0.00 0.00 0.00 178.15 178.11 2ike h GLU 96 N 0.47 0.21 -0.03 2.37 4.81 -1.33 -2.87 114.58 118.21 2ike h GLU 96 Ca 0.07 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2ike h GLU 96 Cb 0.63 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2ike h GLU 96 CO 0.04 0.61 -0.51 0.93 -0.73 0.00 0.00 179.01 179.35 2ike h GLU 97 N 0.17 0.08 -3.93 1.92 4.39 -1.17 -3.38 114.58 112.68 2ike h GLU 97 Ca 0.01 -0.05 -0.75 0.00 0.34 0.00 0.00 59.36 58.91 2ike h GLU 97 Cb 0.85 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.22 2ike h GLU 97 CO 0.07 0.58 -0.15 -0.51 -1.16 0.00 0.00 179.01 177.84 2ike s ASP 98 N -6.88 6.15 0.70 1.42 1.11 -1.08 -5.07 116.67 113.02 2ike s ASP 98 Ca -0.03 -2.40 -0.13 0.00 0.18 0.00 0.00 52.55 50.17 2ike s ASP 98 Cb 0.13 -2.10 0.02 0.00 1.07 0.00 0.00 42.92 42.04 2ike s ASP 98 CO 0.76 -0.61 1.11 -2.16 1.18 0.00 0.00 175.17 175.45 2ike s PRO 99 N 0.62 2.57 0.57 8.23 0.04 -1.26 -4.84 135.00 140.93 2ike s PRO 99 Ca 0.13 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2ike s PRO 99 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2ike s PRO 99 CO -0.04 -1.42 0.00 -0.89 0.04 0.00 0.00 177.00 174.69 2ike n ILE 100 N -2.82 -1.89 0.00 0.56 5.41 -1.26 -5.08 119.36 114.28 2ike n ILE 100 Ca 0.10 1.15 0.00 0.00 1.00 0.00 0.00 62.75 65.00 2ike n ILE 100 Cb 0.52 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 2ike n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ike n GLY 101 N -3.29 2.45 0.25 7.39 0.00 -1.26 -4.95 105.19 105.78 2ike n GLY 101 Ca -0.04 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 -0.41 1.61 3.07 -2.00 -2.99 114.58 113.86 2ike h GLU 102 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ike h GLU 102 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2ike h GLU 102 CO 0.00 0.14 0.27 0.38 -1.40 0.00 0.00 179.01 178.40 2ike h ASP 103 N 0.00 0.48 0.07 1.42 3.04 -2.00 -1.61 116.42 117.82 2ike h ASP 103 Ca -0.00 -0.02 -0.06 0.00 -3.24 0.00 0.00 57.03 53.71 2ike h ASP 103 Cb 0.46 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.62 2ike h ASP 103 CO 0.02 0.36 -0.18 1.05 -2.04 0.00 0.00 179.24 178.45 2ike h GLU 104 N 0.56 0.21 0.00 4.15 4.11 -1.89 -2.21 114.58 119.51 2ike h GLU 104 Ca 0.15 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 59.40 2ike h GLU 104 Cb -0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2ike h GLU 104 CO -0.03 0.39 -0.58 1.15 0.07 0.00 0.00 179.01 180.02 2ike h THR 105 N 0.20 1.40 -0.01 -1.06 2.02 -1.44 -2.50 112.91 111.52 2ike h THR 105 Ca 0.04 -1.98 -0.20 0.00 0.77 0.00 0.00 66.41 65.03 2ike h THR 105 Cb 0.43 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2ike h THR 105 CO 0.03 0.56 -0.87 0.74 0.37 0.00 0.00 175.52 176.35 2ike h THR 106 N 0.00 1.45 -0.37 3.16 2.02 -0.74 -2.61 112.91 115.82 2ike h THR 106 Ca -0.01 -2.50 -0.17 0.00 0.77 0.00 0.00 66.41 64.51 2ike h THR 106 Cb 1.03 2.40 -0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2ike h THR 106 CO 0.07 0.74 -0.42 1.88 0.37 0.00 0.00 175.52 178.16 2ike h TYR 107 N 0.16 1.13 -0.16 3.16 0.05 -1.28 -2.46 116.97 117.55 2ike h TYR 107 Ca -0.05 -0.35 -0.14 0.00 0.05 0.00 0.00 58.73 58.24 2ike h TYR 107 Cb 1.49 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 2ike h TYR 107 CO 0.04 1.18 -0.50 1.37 -1.05 0.00 0.00 178.16 179.20 2ike h LEU 108 N 0.75 0.48 -1.14 3.88 8.10 -1.49 -2.42 115.31 123.47 2ike h LEU 108 Ca 0.05 -0.24 -0.09 0.00 0.11 0.00 0.00 57.88 57.71 2ike h LEU 108 Cb 1.02 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 41.09 2ike h LEU 108 CO 0.10 0.90 -0.42 0.11 -4.11 0.00 0.00 178.44 175.02 2ike h LYS 109 N 0.35 0.03 0.03 0.17 1.57 -1.40 -2.51 116.57 114.81 2ike h LYS 109 Ca 0.02 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2ike h LYS 109 Cb 1.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2ike h LYS 109 CO 0.09 0.44 -0.98 -0.91 -0.57 0.00 0.00 179.45 177.52 2ike h ASN 110 N 0.02 0.31 -1.19 0.86 -0.26 -1.25 -3.28 115.58 110.79 2ike h ASN 110 Ca -0.00 -0.28 -0.66 0.00 -0.56 0.00 0.00 56.30 54.81 2ike h ASN 110 Cb 0.75 -0.10 -0.33 0.00 -1.06 0.00 0.00 38.32 37.58 2ike h ASN 110 CO 0.06 1.12 0.34 -0.24 -1.06 0.00 0.00 177.43 177.64 2ike n SER 111 N -3.62 6.69 -4.74 5.81 2.88 -0.93 -4.55 113.62 115.16 2ike n SER 111 Ca -0.05 -3.78 -0.36 0.00 -1.33 0.00 0.00 58.87 53.35 2ike n SER 111 Cb 0.87 -0.79 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 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 -4.90 5.38 -1.20 2.46 0.11 -0.96 -0.41 120.40 120.87 2ike s VAL 112 Ca 0.57 0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 59.82 2ike s VAL 112 Cb 0.46 -3.52 -0.07 0.00 -1.53 0.00 0.00 36.38 31.73 2ike s VAL 112 CO -0.10 0.44 2.37 0.00 -3.33 0.00 0.00 175.10 174.48 2ike s ALA 114 N 3.24 2.00 0.00 0.00 0.00 -1.26 -4.73 121.76 121.02 2ike s ALA 114 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2ike s ALA 114 Cb 0.14 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2ike s ALA 114 CO -0.03 -4.01 0.00 0.41 0.00 0.00 0.00 175.76 172.13 2ike n GLY 115 N 5.82 4.05 0.45 0.00 0.00 -1.26 -5.07 105.19 109.18 2ike n GLY 115 Ca 0.28 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.70 0.00 1.61 0.11 -2.06 -3.43 132.00 127.53 2ike h PRO 116 Ca 0.00 0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.78 2ike h PRO 116 Cb 0.00 0.16 0.18 0.00 0.11 0.00 0.00 31.00 31.45 2ike h PRO 116 CO 0.00 -0.47 0.14 -0.85 -0.21 0.00 0.00 178.00 176.61 2ike n GLU 117 N -5.48 -2.88 -4.31 1.05 0.28 -1.26 -5.09 120.64 102.95 2ike n GLU 117 Ca -0.08 -1.68 -0.17 0.00 -0.16 0.00 0.00 57.16 55.07 2ike n GLU 117 Cb 0.40 -1.53 -0.10 0.00 1.43 0.00 0.00 31.44 31.64 2ike n GLU 117 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ike s ASP 118 N -4.42 2.23 -0.41 -1.84 2.15 -1.26 -4.95 116.67 108.17 2ike s ASP 118 Ca 0.68 -1.05 -0.14 0.00 0.43 0.00 0.00 52.55 52.47 2ike s ASP 118 Cb -0.06 -0.08 0.02 0.00 -0.30 0.00 0.00 42.92 42.50 2ike s ASP 118 CO 0.52 -0.27 0.52 0.59 -0.17 0.00 0.00 175.17 176.35 2ike n ASN 119 N -0.33 -7.94 -3.72 -0.34 4.13 -1.26 -5.06 115.26 100.74 2ike n ASN 119 Ca -0.08 0.65 -0.14 0.00 1.68 0.00 0.00 54.58 56.69 2ike n ASN 119 Cb 0.61 -5.37 -0.09 0.00 -1.54 0.00 0.00 39.78 33.39 2ike n ASN 119 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2ike s SER 120 N -2.48 -0.34 0.17 6.41 1.04 -1.26 -4.42 113.70 112.82 2ike s SER 120 Ca 0.22 0.45 0.05 0.00 0.48 0.00 0.00 55.95 57.15 2ike s SER 120 Cb -0.06 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2ike s SER 120 CO 0.77 -0.35 -0.10 -0.69 0.98 0.00 0.00 173.24 173.84 2ike s VAL 121 N -0.72 1.29 -0.19 5.02 1.01 -0.35 -2.27 120.40 124.19 2ike s VAL 121 Ca -0.08 -2.09 -0.03 0.00 0.00 0.00 0.00 61.98 59.77 2ike s VAL 121 Cb -0.04 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2ike s VAL 121 CO 0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 175.10 174.42