#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 6.60 0.10 1.96 1.04 -1.26 0.12 113.70 122.25 2ike s SER 72 Ca 0.00 0.72 0.08 0.00 0.48 0.00 0.00 55.95 57.22 2ike s SER 72 Cb 0.00 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 2ike s SER 72 CO 0.00 -0.16 -0.20 0.00 0.98 0.00 0.00 173.24 173.86 2ike s LEU 74 N -1.88 4.10 1.01 0.00 1.02 -1.26 -1.15 118.68 120.51 2ike s LEU 74 Ca 0.05 0.31 -0.12 0.00 0.02 0.00 0.00 54.13 54.39 2ike s LEU 74 Cb -0.10 -2.35 0.19 0.00 0.02 0.00 0.00 46.19 43.95 2ike s LEU 74 CO 0.04 -0.07 1.08 0.42 0.02 0.00 0.00 176.35 177.84 2ike s THR 75 N 1.49 2.27 0.60 5.49 -4.23 -0.67 -4.72 115.64 115.87 2ike s THR 75 Ca 0.14 0.09 0.28 0.00 -1.18 0.00 0.00 61.69 61.02 2ike s THR 75 Cb -0.15 -2.35 0.38 0.00 1.34 0.00 0.00 72.50 71.71 2ike s THR 75 CO 0.08 -0.11 1.82 1.55 -0.54 0.00 0.00 174.62 177.41 2ike h PRO 76 N -2.02 0.00 -0.62 3.99 0.13 -1.92 1.18 132.00 132.75 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ike h PRO 76 CO 0.51 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 2ike n ASP 77 N -3.59 3.30 -2.61 1.44 9.92 -1.26 -4.93 116.55 118.83 2ike n ASP 77 Ca 0.09 -2.01 -0.17 0.00 -0.53 0.00 0.00 54.79 52.18 2ike n ASP 77 Cb 0.76 -0.41 0.05 0.00 -0.64 0.00 0.00 41.12 40.88 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 1.30 -5.03 -4.76 -2.24 3.02 0.41 -5.02 115.26 102.94 2ike n ASN 78 Ca 0.21 -0.36 -0.36 0.00 -0.03 0.00 0.00 54.58 54.04 2ike n ASN 78 Cb 0.52 -3.64 -0.08 0.00 -0.61 0.00 0.00 39.78 35.98 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 -5.87 3.59 0.01 3.52 2.36 -1.25 -4.78 119.74 117.31 2ike s LYS 79 Ca 0.39 -0.25 -0.32 0.00 -2.55 0.00 0.00 55.97 53.25 2ike s LYS 79 Cb -0.17 -3.15 -0.10 0.00 -1.05 0.00 0.00 37.83 33.35 2ike s LYS 79 CO 0.49 0.58 1.92 -0.35 1.55 0.00 0.00 175.35 179.53 2ike n PRO 80 N 2.60 2.62 0.00 4.03 -0.04 -1.26 -1.67 135.00 141.28 2ike n PRO 80 Ca -0.18 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2ike n PRO 80 Cb 0.54 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 4.44 4.87 3.13 0.55 0.00 -0.30 -4.88 105.19 113.00 2ike n GLY 81 Ca 0.21 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 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 1.06 0.71 -0.18 1.61 3.01 0.15 -2.48 119.74 123.61 2ike s LYS 82 Ca 0.00 -0.95 -0.04 0.00 -1.01 0.00 0.00 55.97 53.97 2ike s LYS 82 Cb 0.00 -0.48 -0.02 0.00 -1.01 0.00 0.00 37.83 36.32 2ike s LYS 82 CO 0.00 0.09 -0.03 0.00 0.51 0.00 0.00 175.35 175.92 2ike s VAL 84 N 0.82 0.20 1.04 0.00 -7.23 -0.50 -3.45 120.40 111.27 2ike s VAL 84 Ca -0.01 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 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 -0.85 0.55 0.59 -0.31 0.00 0.00 175.10 175.10 2ike n ASN 85 N 0.55 -3.31 -0.41 4.85 3.02 -1.26 -2.07 115.26 116.62 2ike n ASN 85 Ca -0.17 -0.55 0.09 0.00 -0.03 0.00 0.00 54.58 53.91 2ike n ASN 85 Cb 0.59 -0.74 0.35 0.00 -0.61 0.00 0.00 39.78 39.38 2ike n ASN 85 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2ike n ILE 86 N -4.76 0.19 -1.48 2.41 -6.64 -1.26 -3.57 119.36 104.26 2ike n ILE 86 Ca 0.09 -0.27 0.07 0.00 -1.77 0.00 0.00 62.75 60.87 2ike n ILE 86 Cb 0.38 0.18 0.13 0.00 -1.44 0.00 0.00 39.64 38.89 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 0.06 1.06 0.00 6.28 2.85 -1.26 -4.73 118.16 122.41 2ike n LYS 87 Ca 0.14 -2.48 0.00 0.00 -1.05 0.00 0.00 58.31 54.92 2ike n LYS 87 Cb 0.24 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2ike n LYS 87 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ike n LYS 88 N -0.97 0.00 -2.22 -1.58 3.00 -1.23 -5.05 118.16 110.10 2ike n LYS 88 Ca 0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.03 2ike n LYS 88 Cb 0.71 -0.81 -0.03 0.00 0.00 0.00 0.00 35.03 34.90 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 3.78 1.22 -0.46 0.00 1.35 -1.96 -2.60 112.91 114.24 2ike h THR 90 Ca -0.45 -1.02 0.03 0.00 -0.55 0.00 0.00 66.41 64.42 2ike h THR 90 Cb 1.21 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 2ike h THR 90 CO 0.77 0.31 0.30 0.45 -0.25 0.00 0.00 175.52 177.11 2ike h HIS 91 N 0.23 0.47 -0.42 4.73 3.86 -2.00 -1.66 115.15 120.36 2ike h HIS 91 Ca 0.04 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 2ike h HIS 91 Cb 0.52 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2ike h HIS 91 CO 0.01 0.28 -0.30 -0.07 0.86 0.00 0.00 177.93 178.70 2ike h LEU 92 N 0.49 0.99 -1.17 2.43 -0.00 -1.80 -2.81 115.31 113.45 2ike h LEU 92 Ca 0.19 -0.43 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 2ike h LEU 92 Cb 0.13 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2ike h LEU 92 CO -0.05 1.21 -0.11 0.00 -0.00 0.00 0.00 178.44 179.50 2ike h ALA 93 N 0.81 1.31 -0.49 1.53 0.00 -1.33 -2.29 119.26 118.80 2ike h ALA 93 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2ike h ALA 93 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ike h ALA 93 CO 0.08 0.46 -0.12 1.49 0.00 0.00 0.00 179.25 181.16 2ike h GLU 94 N 0.42 0.92 -0.30 0.00 4.81 -1.23 -1.90 114.58 117.30 2ike h GLU 94 Ca 0.08 -0.33 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2ike h GLU 94 Cb 0.45 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2ike h GLU 94 CO 0.03 0.99 -0.33 0.82 -0.73 0.00 0.00 179.01 179.78 2ike h ILE 95 N 0.82 1.28 -0.05 2.32 2.04 -1.23 0.82 117.51 123.51 2ike h ILE 95 Ca 0.13 -1.47 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 2ike h ILE 95 Cb 0.66 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2ike h ILE 95 CO 0.05 0.47 -0.50 -0.33 0.00 0.00 0.00 178.15 177.84 2ike h GLU 96 N 0.56 0.14 0.22 2.37 4.39 -1.25 -3.04 114.58 117.97 2ike h GLU 96 Ca 0.06 -0.08 -0.34 0.00 0.34 0.00 0.00 59.36 59.34 2ike h GLU 96 Cb 0.84 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.52 2ike h GLU 96 CO 0.07 0.61 -1.59 1.49 -1.16 0.00 0.00 179.01 178.43 2ike h GLU 97 N 0.11 0.47 -0.07 2.33 4.57 -1.16 -3.47 114.58 117.37 2ike h GLU 97 Ca 0.00 -0.80 0.26 0.00 -1.18 0.00 0.00 59.36 57.65 2ike h GLU 97 Cb 0.92 0.30 -0.18 0.00 -0.16 0.00 0.00 28.75 29.63 2ike h GLU 97 CO 0.07 1.38 0.08 0.16 -1.18 0.00 0.00 179.01 179.52 2ike s ASP 98 N -7.44 -0.11 -0.48 1.04 -4.77 0.26 -5.10 116.67 100.07 2ike s ASP 98 Ca -0.12 0.01 -0.29 0.00 -3.30 0.00 0.00 52.55 48.86 2ike s ASP 98 Cb 0.05 1.07 0.03 0.00 -1.09 0.00 0.00 42.92 42.98 2ike s ASP 98 CO 0.91 -0.02 1.12 -2.16 0.70 0.00 0.00 175.17 175.71 2ike s PRO 99 N 2.99 3.69 -0.14 2.11 0.04 -1.15 -4.51 135.00 138.03 2ike s PRO 99 Ca 0.32 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.80 2ike s PRO 99 Cb 0.00 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2ike s PRO 99 CO -0.22 -1.38 0.11 0.96 0.04 0.00 0.00 177.00 176.50 2ike s ILE 100 N 4.40 5.20 0.07 0.56 -4.36 -1.26 -4.88 121.20 120.93 2ike s ILE 100 Ca 0.47 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 2ike s ILE 100 Cb -0.07 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.35 2ike s ILE 100 CO 0.31 0.56 0.00 0.61 0.24 0.00 0.00 174.94 176.66 2ike n GLY 101 N 2.51 -4.89 0.28 6.27 0.00 -1.26 -4.46 105.19 103.63 2ike n GLY 101 Ca -0.19 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 2.96 0.00 -0.20 1.61 4.81 -2.01 -1.16 114.58 120.58 2ike h GLU 102 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2ike h GLU 102 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2ike h GLU 102 CO 0.00 0.00 0.14 0.38 -0.73 0.00 0.00 179.01 178.80 2ike h ASP 103 N 0.00 0.10 0.13 1.04 3.04 -2.00 -1.11 116.42 117.62 2ike h ASP 103 Ca 0.02 -0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.63 2ike h ASP 103 Cb 0.09 -0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 38.35 2ike h ASP 103 CO -0.00 0.07 -0.68 -0.08 -2.04 0.00 0.00 179.24 176.51 2ike h GLU 104 N 0.11 0.51 -0.12 4.15 4.81 -1.43 -2.64 114.58 119.97 2ike h GLU 104 Ca 0.09 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 2ike h GLU 104 Cb 0.22 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2ike h GLU 104 CO -0.01 1.00 -0.47 1.15 -0.73 0.00 0.00 179.01 179.95 2ike h THR 105 N 0.36 1.33 -0.12 0.32 2.02 -1.27 -2.83 112.91 112.73 2ike h THR 105 Ca -0.02 -1.67 -0.15 0.00 0.77 0.00 0.00 66.41 65.34 2ike h THR 105 Cb 1.25 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2ike h THR 105 CO 0.12 0.50 -0.57 0.74 0.37 0.00 0.00 175.52 176.69 2ike h THR 106 N 0.25 1.35 -0.48 3.16 2.02 -1.28 -2.93 112.91 115.01 2ike h THR 106 Ca 0.01 -1.87 -0.09 0.00 0.77 0.00 0.00 66.41 65.23 2ike h THR 106 Cb 0.92 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 2ike h THR 106 CO 0.08 0.56 -0.08 0.22 0.37 0.00 0.00 175.52 176.67 2ike h TYR 107 N 0.28 0.94 -0.33 3.16 3.20 -1.30 -1.44 116.97 121.47 2ike h TYR 107 Ca 0.00 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.68 2ike h TYR 107 Cb 1.08 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2ike h TYR 107 CO 0.03 0.90 0.12 -0.07 -1.64 0.00 0.00 178.16 177.50 2ike h LEU 108 N 0.78 0.46 -1.28 2.82 -0.00 -1.41 -2.13 115.31 114.55 2ike h LEU 108 Ca 0.13 -0.18 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2ike h LEU 108 Cb 0.59 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2ike h LEU 108 CO 0.04 0.51 -0.26 0.11 -0.00 0.00 0.00 178.44 178.84 2ike h LYS 109 N 0.38 0.16 0.00 1.13 6.56 -1.38 -2.29 116.57 121.13 2ike h LYS 109 Ca 0.11 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.58 2ike h LYS 109 Cb 0.20 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 2ike h LYS 109 CO -0.01 0.42 -0.33 -0.91 -2.06 0.00 0.00 179.45 176.56 2ike h ASN 110 N 0.15 0.00 -0.81 0.86 -0.26 -0.86 -2.86 115.58 111.80 2ike h ASN 110 Ca 0.02 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.27 2ike h ASN 110 Cb 0.54 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 37.56 2ike h ASN 110 CO 0.04 0.33 0.64 -1.20 -1.06 0.00 0.00 177.43 176.18 2ike n SER 111 N -3.71 5.71 -4.70 5.81 7.64 -0.84 -4.71 113.62 118.83 2ike n SER 111 Ca -0.01 -3.43 -0.42 0.00 1.01 0.00 0.00 58.87 56.01 2ike n SER 111 Cb 0.43 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 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 -3.39 3.67 -0.82 0.44 0.11 -1.08 0.08 120.40 119.40 2ike s VAL 112 Ca 0.50 1.12 -0.12 0.00 -2.93 0.00 0.00 61.98 60.55 2ike s VAL 112 Cb 0.40 -3.72 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 2ike s VAL 112 CO 0.03 0.04 2.00 0.00 -3.33 0.00 0.00 175.10 173.84 2ike n ALA 114 N 5.52 -2.68 -0.17 0.00 0.00 -1.26 -4.68 120.51 117.23 2ike n ALA 114 Ca 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2ike n ALA 114 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.95 0.81 3.61 0.00 0.00 -1.26 -4.86 105.19 100.53 2ike n GLY 115 Ca 0.07 -0.76 -0.48 0.00 0.00 0.00 0.00 46.02 44.85 2ike n GLY 115 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ike n PRO 116 N 12.34 1.45 -1.39 1.61 -0.02 -1.26 -4.65 135.00 143.08 2ike n PRO 116 Ca 0.00 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.18 2ike n PRO 116 Cb 0.00 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 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 1.89 -3.01 -4.29 -0.52 4.71 -1.26 -5.03 120.64 113.13 2ike n GLU 117 Ca 0.14 2.25 -0.20 0.00 -0.01 0.00 0.00 57.16 59.34 2ike n GLU 117 Cb 0.27 -3.59 -0.08 0.00 -1.01 0.00 0.00 31.44 27.03 2ike n GLU 117 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ike s ASP 118 N -7.15 1.77 -1.75 1.62 1.01 -1.26 -4.84 116.67 106.07 2ike s ASP 118 Ca 0.00 -1.78 -0.00 0.00 0.71 0.00 0.00 52.55 51.47 2ike s ASP 118 Cb 0.00 0.57 0.00 0.00 1.01 0.00 0.00 42.92 44.50 2ike s ASP 118 CO 0.00 -1.08 0.06 0.59 0.21 0.00 0.00 175.17 174.95 2ike n ASN 119 N -1.63 -5.89 -4.56 0.27 5.03 -1.26 -4.98 115.26 102.24 2ike n ASN 119 Ca 0.08 -0.04 -0.25 0.00 0.87 0.00 0.00 54.58 55.24 2ike n ASN 119 Cb 0.62 -4.89 -0.10 0.00 -1.02 0.00 0.00 39.78 34.39 2ike n ASN 119 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2ike s SER 120 N -2.11 3.85 0.13 6.41 0.01 -1.26 -4.28 113.70 116.44 2ike s SER 120 Ca 0.03 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.20 2ike s SER 120 Cb -0.01 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 2ike s SER 120 CO 0.04 -0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 172.74 2ike s VAL 121 N -2.57 0.90 -0.19 3.43 1.01 -0.88 -2.58 120.40 119.51 2ike s VAL 121 Ca 0.33 -1.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.28 2ike s VAL 121 Cb 0.01 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2ike s VAL 121 CO 0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 175.10 174.44