#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 5.82 0.23 1.96 1.04 -1.26 0.12 113.70 121.61 2ike s SER 72 Ca 0.00 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.51 2ike s SER 72 Cb 0.00 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 64.03 2ike s SER 72 CO 0.00 0.06 -0.06 0.00 0.98 0.00 0.00 173.24 174.22 2ike s LEU 74 N -3.32 4.09 0.96 0.00 1.02 -1.26 -0.44 118.68 119.73 2ike s LEU 74 Ca 0.26 0.24 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 2ike s LEU 74 Cb 0.04 -2.30 0.17 0.00 0.02 0.00 0.00 46.19 44.12 2ike s LEU 74 CO 0.08 -0.06 1.09 0.42 0.02 0.00 0.00 176.35 177.90 2ike s THR 75 N 1.52 2.27 0.60 5.49 -4.23 -0.93 -4.75 115.64 115.61 2ike s THR 75 Ca 0.12 0.09 0.28 0.00 -1.18 0.00 0.00 61.69 61.00 2ike s THR 75 Cb -0.15 -2.58 0.38 0.00 1.34 0.00 0.00 72.50 71.49 2ike s THR 75 CO 0.08 -0.11 1.81 1.55 -0.54 0.00 0.00 174.62 177.41 2ike h PRO 76 N -1.78 0.00 -0.24 3.99 0.13 -1.92 1.13 132.00 133.32 2ike h PRO 76 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ike h PRO 76 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ike h PRO 76 CO 0.57 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 2ike n ASP 77 N -3.58 2.20 -2.17 1.44 8.00 -1.26 -4.93 116.55 116.24 2ike n ASP 77 Ca 0.10 -1.81 -0.14 0.00 0.71 0.00 0.00 54.79 53.65 2ike n ASP 77 Cb 0.78 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.67 -4.56 -4.64 -2.24 3.02 0.39 -5.02 115.26 102.88 2ike n ASN 78 Ca 0.17 -0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 54.12 2ike n ASN 78 Cb 0.41 -3.31 -0.10 0.00 -0.61 0.00 0.00 39.78 36.17 2ike n ASN 78 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ike s LYS 79 N -5.50 3.23 -0.18 3.52 1.02 -1.25 -4.81 119.74 115.77 2ike s LYS 79 Ca 0.27 -0.42 -0.35 0.00 0.02 0.00 0.00 55.97 55.49 2ike s LYS 79 Cb -0.12 -2.86 -0.12 0.00 -0.52 0.00 0.00 37.83 34.21 2ike s LYS 79 CO 0.33 0.56 1.93 -0.35 -0.92 0.00 0.00 175.35 176.91 2ike n PRO 80 N 2.57 1.81 0.00 -1.68 -0.04 -1.26 -2.18 135.00 134.22 2ike n PRO 80 Ca -0.18 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2ike n PRO 80 Cb 0.53 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 4.82 5.53 3.08 0.55 0.00 0.42 -4.92 105.19 114.67 2ike n GLY 81 Ca 0.27 -1.41 -0.15 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 1.52 0.63 -0.18 1.61 1.02 0.13 -2.38 119.74 122.10 2ike s LYS 82 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 2ike s LYS 82 Cb 0.00 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 2ike s LYS 82 CO 0.00 0.11 -0.03 0.00 -0.92 0.00 0.00 175.35 174.51 2ike s VAL 84 N 0.74 0.17 1.07 0.00 -7.23 -0.65 -3.41 120.40 111.08 2ike s VAL 84 Ca -0.02 -1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 2ike s VAL 84 Cb -0.14 -1.15 0.19 0.00 0.56 0.00 0.00 36.38 35.84 2ike s VAL 84 CO 0.02 -0.77 0.36 0.59 -0.31 0.00 0.00 175.10 174.99 2ike n ASN 85 N 0.47 -3.08 -0.01 4.85 4.13 -1.26 -1.68 115.26 118.69 2ike n ASN 85 Ca -0.17 -0.42 0.16 0.00 1.68 0.00 0.00 54.58 55.83 2ike n ASN 85 Cb 0.60 -0.81 0.88 0.00 -1.54 0.00 0.00 39.78 38.91 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 -4.56 0.00 -1.16 2.41 -6.64 -1.26 -3.12 119.36 105.02 2ike n ILE 86 Ca 0.06 -0.00 0.04 0.00 -1.77 0.00 0.00 62.75 61.08 2ike n ILE 86 Cb 0.40 -0.48 0.23 0.00 -1.44 0.00 0.00 39.64 38.35 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 -1.06 2.36 0.00 6.28 4.01 -1.26 -4.60 118.16 123.89 2ike n LYS 87 Ca 0.21 -2.94 0.00 0.00 -0.51 0.00 0.00 58.31 55.07 2ike n LYS 87 Cb 0.15 -1.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.87 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2ike n LYS 88 N -0.83 0.03 -1.67 1.97 4.81 -1.19 -5.08 118.16 116.20 2ike n LYS 88 Ca 0.25 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.23 2ike n LYS 88 Cb 0.92 -0.57 -0.04 0.00 0.02 0.00 0.00 35.03 35.36 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 3.83 1.31 -0.63 0.00 1.35 -1.97 -3.15 112.91 113.65 2ike h THR 90 Ca -0.45 -1.63 0.11 0.00 -0.55 0.00 0.00 66.41 63.88 2ike h THR 90 Cb 1.26 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 69.40 2ike h THR 90 CO 0.89 0.52 0.42 1.12 -0.25 0.00 0.00 175.52 178.23 2ike h HIS 91 N 0.42 0.45 -0.41 4.73 2.07 -1.97 -1.02 115.15 119.42 2ike h HIS 91 Ca 0.01 0.01 -0.10 0.00 -2.85 0.00 0.00 60.37 57.45 2ike h HIS 91 Cb 1.03 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.85 2ike h HIS 91 CO 0.08 0.21 -0.12 1.25 -3.07 0.00 0.00 177.93 176.28 2ike h LEU 92 N 0.41 0.82 -1.48 6.12 7.12 -1.93 -2.54 115.31 123.84 2ike h LEU 92 Ca 0.30 -0.37 -0.05 0.00 0.13 0.00 0.00 57.88 57.88 2ike h LEU 92 Cb 0.60 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 2ike h LEU 92 CO -0.08 1.00 -0.26 0.00 -0.13 0.00 0.00 178.44 178.97 2ike h ALA 93 N 0.85 1.57 -0.20 1.25 0.00 -1.20 -1.99 119.26 119.53 2ike h ALA 93 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2ike h ALA 93 Cb 0.65 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ike h ALA 93 CO 0.04 0.32 -0.35 0.93 0.00 0.00 0.00 179.25 180.20 2ike h GLU 94 N 0.00 0.59 -0.25 0.00 3.07 -1.13 -2.72 114.58 114.15 2ike h GLU 94 Ca -0.00 -0.37 -0.10 0.00 -0.50 0.00 0.00 59.36 58.39 2ike h GLU 94 Cb 0.46 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2ike h GLU 94 CO 0.03 0.98 -0.26 0.97 -1.40 0.00 0.00 179.01 179.34 2ike h ILE 95 N 0.27 1.27 -0.12 3.13 -0.00 -1.24 0.76 117.51 121.58 2ike h ILE 95 Ca 0.01 -1.27 -0.07 0.00 -0.00 0.00 0.00 64.86 63.53 2ike h ILE 95 Cb 0.94 1.36 -0.01 0.00 -0.00 0.00 0.00 36.82 39.11 2ike h ILE 95 CO 0.08 0.40 -0.26 -0.08 -0.00 0.00 0.00 178.15 178.29 2ike h GLU 96 N 0.42 0.21 0.03 2.19 4.57 -1.34 -2.91 114.58 117.75 2ike h GLU 96 Ca 0.06 -0.07 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 2ike h GLU 96 Cb 0.67 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 2ike h GLU 96 CO 0.05 0.46 -1.49 0.93 -1.18 0.00 0.00 179.01 177.78 2ike h GLU 97 N 0.19 0.07 -6.68 1.92 5.08 -1.14 -3.47 114.58 110.55 2ike h GLU 97 Ca 0.03 -0.12 -0.47 0.00 -1.00 0.00 0.00 59.36 57.80 2ike h GLU 97 Cb 0.57 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.89 2ike h GLU 97 CO 0.04 0.82 -0.09 -0.51 -1.00 0.00 0.00 179.01 178.26 2ike s ASP 98 N -6.52 6.02 0.82 1.42 1.01 0.23 -5.09 116.67 114.56 2ike s ASP 98 Ca -0.05 0.43 -0.05 0.00 0.71 0.00 0.00 52.55 53.58 2ike s ASP 98 Cb 0.08 -1.78 0.08 0.00 1.01 0.00 0.00 42.92 42.31 2ike s ASP 98 CO 0.83 -0.57 0.19 -2.65 0.21 0.00 0.00 175.17 173.18 2ike n PRO 99 N -2.02 -1.29 -2.67 8.23 -0.02 -1.26 -4.78 135.00 131.18 2ike n PRO 99 Ca -0.01 -0.32 -0.23 0.00 -2.02 0.00 0.00 63.50 60.92 2ike n PRO 99 Cb 0.57 -0.53 0.11 0.00 -0.02 0.00 0.00 33.50 33.64 2ike n PRO 99 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ike s ILE 100 N -1.12 2.02 0.00 4.25 -4.36 -1.26 -4.88 121.20 115.85 2ike s ILE 100 Ca 0.15 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 2ike s ILE 100 Cb -0.03 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.33 2ike s ILE 100 CO 0.12 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.91 2ike n GLY 101 N -2.82 2.06 0.29 6.27 0.00 -1.26 -4.99 105.19 104.74 2ike n GLY 101 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 0.38 -0.08 1.61 4.22 -2.00 -1.30 114.58 117.40 2ike h GLU 102 Ca 0.00 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.34 2ike h GLU 102 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ike h GLU 102 CO 0.00 0.28 -0.27 -0.44 -2.18 0.00 0.00 179.01 176.40 2ike h ASP 103 N 0.39 0.14 -0.11 1.04 5.19 -1.99 -2.28 116.42 118.81 2ike h ASP 103 Ca 0.10 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 2ike h ASP 103 Cb 0.01 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2ike h ASP 103 CO -0.02 0.42 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.90 2ike h GLU 104 N 0.13 0.57 -0.08 3.56 3.07 -1.62 -0.78 114.58 119.43 2ike h GLU 104 Ca 0.02 -0.24 -0.19 0.00 -0.50 0.00 0.00 59.36 58.45 2ike h GLU 104 Cb 0.55 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2ike h GLU 104 CO 0.04 0.80 -0.75 1.15 -1.40 0.00 0.00 179.01 178.85 2ike h THR 105 N 0.50 1.37 -0.07 1.13 2.02 -1.36 -2.57 112.91 113.93 2ike h THR 105 Ca 0.06 -2.14 -0.17 0.00 0.77 0.00 0.00 66.41 64.93 2ike h THR 105 Cb 0.75 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2ike h THR 105 CO 0.06 0.65 -0.69 0.74 0.37 0.00 0.00 175.52 176.65 2ike h THR 106 N 0.30 1.39 -0.14 3.16 2.02 -1.26 -2.90 112.91 115.47 2ike h THR 106 Ca -0.04 -2.11 -0.13 0.00 0.77 0.00 0.00 66.41 64.90 2ike h THR 106 Cb 1.33 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 2ike h THR 106 CO 0.13 0.63 -0.48 1.88 0.37 0.00 0.00 175.52 178.05 2ike h TYR 107 N 0.23 0.45 -0.37 3.16 0.05 -1.11 -2.44 116.97 116.93 2ike h TYR 107 Ca -0.02 -0.14 -0.13 0.00 0.05 0.00 0.00 58.73 58.49 2ike h TYR 107 Cb 1.24 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 2ike h TYR 107 CO 0.03 0.78 -0.28 -0.07 -1.05 0.00 0.00 178.16 177.57 2ike h LEU 108 N 0.30 0.81 -0.86 3.88 4.07 -1.39 0.93 115.31 123.04 2ike h LEU 108 Ca 0.02 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.54 2ike h LEU 108 Cb 0.95 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 2ike h LEU 108 CO 0.08 1.04 -0.55 0.11 -1.08 0.00 0.00 178.44 178.04 2ike h LYS 109 N 0.67 0.05 0.00 1.13 1.57 -1.40 -3.02 116.57 115.57 2ike h LYS 109 Ca 0.08 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 2ike h LYS 109 Cb 0.81 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2ike h LYS 109 CO 0.07 0.59 -1.10 -0.97 -0.57 0.00 0.00 179.45 177.47 2ike h ASN 110 N 0.04 0.00 -0.85 0.86 -1.24 -1.23 -3.30 115.58 109.86 2ike h ASN 110 Ca -0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 2ike h ASN 110 Cb 0.99 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.78 2ike h ASN 110 CO 0.07 0.84 0.71 -1.20 -1.29 0.00 0.00 177.43 176.56 2ike n SER 111 N -3.20 6.44 -4.88 1.15 7.64 0.30 -4.22 113.62 116.85 2ike n SER 111 Ca -0.04 -3.54 -0.32 0.00 1.01 0.00 0.00 58.87 55.98 2ike n SER 111 Cb 0.91 -0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 2ike n SER 111 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ike s VAL 112 N -3.80 5.25 -0.51 0.44 0.11 -1.18 0.36 120.40 121.07 2ike s VAL 112 Ca 0.54 -0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 59.27 2ike s VAL 112 Cb 0.43 -3.49 0.44 0.00 -1.53 0.00 0.00 36.38 32.23 2ike s VAL 112 CO 0.02 0.25 1.95 0.00 -3.33 0.00 0.00 175.10 173.99 2ike n ALA 114 N -0.67 -3.56 -1.23 0.00 0.00 -1.26 -5.04 120.51 108.74 2ike n ALA 114 Ca 0.53 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.53 2ike n ALA 114 Cb 0.92 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.94 -2.37 0.19 0.00 0.00 -1.26 -4.90 105.19 92.91 2ike n GLY 115 Ca -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 0.01 -4.46 1.61 0.11 -2.02 -3.36 132.00 123.89 2ike h PRO 116 Ca 0.00 -0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.39 2ike h PRO 116 Cb 0.00 -0.00 -0.24 0.00 0.11 0.00 0.00 31.00 30.87 2ike h PRO 116 CO 0.00 0.01 -0.44 -1.21 -0.21 0.00 0.00 178.00 176.15 2ike s GLU 117 N -6.22 2.84 0.00 1.05 0.41 -1.26 -4.54 118.70 110.98 2ike s GLU 117 Ca -0.14 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.19 2ike s GLU 117 Cb 0.16 -3.89 0.00 0.00 -1.78 0.00 0.00 34.13 28.61 2ike s GLU 117 CO 0.72 -0.86 0.00 -3.47 -0.49 0.00 0.00 175.26 171.16 2ike n ASP 118 N 5.06 0.00 -2.36 -0.19 -0.08 -1.26 -5.07 116.55 112.65 2ike n ASP 118 Ca -0.11 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.13 2ike n ASP 118 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 2ike n ASP 118 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ike n ASN 119 N 0.00 -5.68 -3.85 1.67 4.13 -1.26 -5.06 115.26 105.21 2ike n ASN 119 Ca 0.00 0.25 -0.12 0.00 1.68 0.00 0.00 54.58 56.40 2ike n ASN 119 Cb 0.00 -3.72 -0.11 0.00 -1.54 0.00 0.00 39.78 34.41 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 -2.13 -0.04 0.22 6.41 1.04 -1.26 -4.29 113.70 113.65 2ike s SER 120 Ca 0.12 -0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.59 2ike s SER 120 Cb -0.03 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 2ike s SER 120 CO 0.47 -0.27 -0.08 -0.69 0.98 0.00 0.00 173.24 173.65 2ike s VAL 121 N -0.89 1.48 -0.19 5.02 1.01 -0.67 -4.07 120.40 122.08 2ike s VAL 121 Ca -0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 61.98 59.72 2ike s VAL 121 Cb -0.05 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2ike s VAL 121 CO 0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 175.10 174.58