#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqe n LEU 88 N 0.00 0.00 0.00 3.14 7.94 -1.26 -4.86 117.00 121.96 1iqe n LEU 88 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1iqe n LEU 88 Cb 0.00 0.00 0.30 0.00 0.53 0.00 0.00 43.42 44.25 1iqe n LEU 88 CO 0.00 0.00 0.64 0.00 -1.11 0.00 0.00 177.39 176.92 1iqe n SER 90 N -1.27 3.00 0.07 0.00 3.41 -1.26 -1.67 113.62 115.90 1iqe n SER 90 Ca 0.06 -1.90 -0.21 0.00 -0.26 0.00 0.00 58.87 56.56 1iqe n SER 90 Cb 0.09 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1iqe n SER 90 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1iqe h LEU 91 N 2.86 0.54 -4.22 1.04 7.12 -1.55 -3.43 115.31 117.67 1iqe h LEU 91 Ca 0.00 -0.94 -0.09 0.00 0.13 0.00 0.00 57.88 56.98 1iqe h LEU 91 Cb 0.77 -0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 40.65 1iqe h LEU 91 CO 0.00 1.47 -0.07 -0.67 -0.13 0.00 0.00 178.44 179.04 1iqe n ASP 92 N -4.03 -0.87 -0.70 1.25 4.64 -1.26 -4.92 116.55 110.65 1iqe n ASP 92 Ca -0.15 -1.64 -0.09 0.00 -1.38 0.00 0.00 54.79 51.52 1iqe n ASP 92 Cb 0.88 0.52 -0.04 0.00 -1.04 0.00 0.00 41.12 41.45 1iqe n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1iqe n ASN 93 N -0.63 -4.27 -0.97 1.67 5.15 -0.67 -1.69 115.26 113.85 1iqe n ASN 93 Ca -0.11 0.23 -0.09 0.00 -0.60 0.00 0.00 54.58 54.01 1iqe n ASN 93 Cb 0.68 -2.58 -0.01 0.00 -0.53 0.00 0.00 39.78 37.34 1iqe n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqe n GLY 94 N -1.63 0.09 2.35 8.20 0.00 -1.21 -2.41 105.19 110.57 1iqe n GLY 94 Ca -0.09 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1iqe n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqe n ASP 95 N 0.35 -4.47 -2.38 1.61 2.03 -0.68 -4.95 116.55 108.06 1iqe n ASP 95 Ca -0.10 0.37 -0.01 0.00 0.52 0.00 0.00 54.79 55.57 1iqe n ASP 95 Cb 0.56 -3.88 0.01 0.00 -0.72 0.00 0.00 41.12 37.08 1iqe n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqe n ASP 97 N -3.04 3.19 0.00 0.00 10.43 -1.23 -4.77 116.55 121.12 1iqe n ASP 97 Ca 0.00 -0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.32 1iqe n ASP 97 Cb 0.02 -0.04 0.00 0.00 1.84 0.00 0.00 41.12 42.94 1iqe n ASP 97 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iqe n GLN 98 N -2.72 0.13 -1.33 -1.24 6.02 -1.26 -4.97 117.38 112.00 1iqe n GLN 98 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 1iqe n GLN 98 Cb 0.70 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.96 1iqe n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqe n PHE 99 N 0.00 -1.86 -3.86 1.08 3.72 -1.22 -4.85 117.46 110.47 1iqe n PHE 99 Ca 0.00 0.59 -0.14 0.00 -0.05 0.00 0.00 57.45 57.86 1iqe n PHE 99 Cb 0.00 -1.81 -0.15 0.00 -0.94 0.00 0.00 39.48 36.58 1iqe n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqe s HIS 101 N 0.47 1.50 -0.26 0.00 3.76 0.84 -4.98 115.29 116.62 1iqe s HIS 101 Ca -0.04 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 1iqe s HIS 101 Cb -0.06 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 32.81 1iqe s HIS 101 CO -0.01 -0.06 -0.07 -1.21 -0.85 0.00 0.00 174.74 172.53 1iqe s GLU 102 N -3.87 2.47 -1.29 1.40 2.02 -1.26 0.84 118.70 119.01 1iqe s GLU 102 Ca 0.28 -1.21 -0.09 0.00 0.02 0.00 0.00 54.97 53.96 1iqe s GLU 102 Cb 0.06 -2.98 0.16 0.00 0.10 0.00 0.00 34.13 31.46 1iqe s GLU 102 CO 0.08 -0.53 1.95 -1.91 0.02 0.00 0.00 175.26 174.87 1iqe n GLU 103 N 4.55 3.68 0.00 1.61 2.13 0.86 -4.90 120.64 128.58 1iqe n GLU 103 Ca -0.15 -3.47 0.00 0.00 0.66 0.00 0.00 57.16 54.20 1iqe n GLU 103 Cb 0.44 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.24 1iqe n GLU 103 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1iqe n GLN 104 N 3.73 0.00 0.00 5.31 1.13 -1.26 -2.94 117.38 123.36 1iqe n GLN 104 Ca 0.42 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1iqe n GLN 104 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.70 1iqe n GLN 104 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1iqe n ASN 105 N 6.34 0.00 -1.99 1.08 6.94 -1.26 -4.82 115.26 121.56 1iqe n ASN 105 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 1iqe n ASN 105 Cb 0.00 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1iqe n ASN 105 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1iqe n SER 106 N -1.14 1.69 -4.78 0.53 2.88 -1.15 -3.85 113.62 107.79 1iqe n SER 106 Ca 0.00 -0.99 -0.39 0.00 -1.33 0.00 0.00 58.87 56.16 1iqe n SER 106 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1iqe n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iqe s VAL 107 N -0.68 4.47 -0.18 2.46 0.11 -1.26 -0.10 120.40 125.22 1iqe s VAL 107 Ca 0.00 1.59 0.01 0.00 -2.93 0.00 0.00 61.98 60.64 1iqe s VAL 107 Cb 0.00 -4.08 0.03 0.00 -1.53 0.00 0.00 36.38 30.80 1iqe s VAL 107 CO 0.00 0.53 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.45 1iqe s VAL 108 N -1.10 1.80 0.38 2.04 1.01 0.25 -4.83 120.40 119.96 1iqe s VAL 108 Ca 0.34 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1iqe s VAL 108 Cb -0.22 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1iqe s VAL 108 CO 0.24 0.39 0.58 0.00 0.00 0.00 0.00 175.10 176.31 1iqe s SER 110 N -4.12 -0.10 0.17 0.00 1.04 -1.19 -4.96 113.70 104.54 1iqe s SER 110 Ca 0.44 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1iqe s SER 110 Cb -0.10 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1iqe s SER 110 CO 0.36 -1.05 0.05 0.00 0.98 0.00 0.00 173.24 173.58 1iqe s ALA 112 N -3.89 2.64 -0.36 0.00 0.00 -1.26 -4.84 121.76 114.04 1iqe s ALA 112 Ca 0.28 -0.03 -0.45 0.00 0.00 0.00 0.00 51.96 51.76 1iqe s ALA 112 Cb 0.07 -3.14 -0.20 0.00 0.00 0.00 0.00 23.12 19.85 1iqe s ALA 112 CO 0.05 -1.28 1.46 0.54 0.00 0.00 0.00 175.76 176.54 1iqe n ARG 113 N -3.15 0.03 -0.10 0.00 3.00 -1.26 -1.07 116.66 114.10 1iqe n ARG 113 Ca 0.07 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 1iqe n ARG 113 Cb 0.54 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 31.49 1iqe n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iqe n GLY 114 N 3.34 0.79 3.23 -0.13 0.00 -1.26 -4.61 105.19 106.56 1iqe n GLY 114 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1iqe n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqe s TYR 115 N -2.08 1.77 -0.03 1.61 1.51 -0.23 -1.92 117.35 117.97 1iqe s TYR 115 Ca 0.00 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1iqe s TYR 115 Cb 0.00 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1iqe s TYR 115 CO 0.00 0.06 -0.18 0.95 -1.11 0.00 0.00 175.55 175.27 1iqe s THR 116 N -0.71 2.77 0.01 -0.71 -4.23 0.31 -4.75 115.64 108.33 1iqe s THR 116 Ca 0.07 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.41 1iqe s THR 116 Cb -0.08 -2.07 -0.06 0.00 1.34 0.00 0.00 72.50 71.63 1iqe s THR 116 CO 0.01 0.56 1.40 -0.22 -0.54 0.00 0.00 174.62 175.83 1iqe s LEU 117 N -0.78 4.32 1.15 4.79 2.96 -1.26 -0.95 118.68 128.92 1iqe s LEU 117 Ca 0.11 2.13 -0.17 0.00 -0.22 0.00 0.00 54.13 55.98 1iqe s LEU 117 Cb -0.10 -3.56 0.20 0.00 0.50 0.00 0.00 46.19 43.22 1iqe s LEU 117 CO 0.01 -0.71 0.37 0.00 -1.32 0.00 0.00 176.35 174.70 1iqe n ALA 118 N 5.24 -2.99 0.04 5.97 0.00 -0.58 -4.81 120.51 123.38 1iqe n ALA 118 Ca 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 53.44 52.23 1iqe n ALA 118 Cb 0.44 -1.33 0.24 0.00 0.00 0.00 0.00 19.45 18.80 1iqe n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iqe h ASP 119 N -2.66 0.42 0.00 0.00 3.45 -1.94 -2.36 116.42 113.33 1iqe h ASP 119 Ca -0.41 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 56.92 1iqe h ASP 119 Cb 1.13 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1iqe h ASP 119 CO 0.28 0.65 0.00 -0.46 -1.57 0.00 0.00 179.24 178.15 1iqe n ASN 120 N -4.15 0.00 -0.70 6.45 0.23 -1.26 -4.87 115.26 110.96 1iqe n ASN 120 Ca -0.00 -0.87 -0.09 0.00 -0.53 0.00 0.00 54.58 53.08 1iqe n ASN 120 Cb 0.38 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.04 1iqe n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqe n GLY 121 N 0.68 1.08 0.00 4.83 0.00 -0.89 -4.89 105.19 106.01 1iqe n GLY 121 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1iqe n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqe n LYS 122 N -2.60 0.00 -1.08 1.61 5.02 -1.26 -4.30 118.16 115.55 1iqe n LYS 122 Ca -0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 1iqe n LYS 122 Cb 0.32 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.39 1iqe n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqe n ALA 123 N -1.49 -3.01 -2.52 7.82 0.00 -1.26 -3.55 120.51 116.51 1iqe n ALA 123 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 1iqe n ALA 123 Cb 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 19.45 17.73 1iqe n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqe s ILE 125 N -0.84 2.30 -0.04 0.00 -1.09 -0.12 -4.88 121.20 116.53 1iqe s ILE 125 Ca 0.13 -0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 57.35 1iqe s ILE 125 Cb -0.11 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1iqe s ILE 125 CO 0.03 0.55 0.85 -2.16 -1.23 0.00 0.00 174.94 172.98 1iqe s PRO 126 N 0.38 4.49 0.21 2.79 0.04 -1.26 0.11 135.00 141.76 1iqe s PRO 126 Ca -0.16 1.16 0.11 0.00 0.04 0.00 0.00 61.00 62.15 1iqe s PRO 126 Cb -0.17 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1iqe s PRO 126 CO 0.07 -0.02 1.41 1.79 0.04 0.00 0.00 177.00 180.29 1iqe h THR 127 N 4.81 1.34 -5.49 1.26 1.35 -1.75 -3.47 112.91 110.96 1iqe h THR 127 Ca -0.40 -2.74 -0.64 0.00 -0.55 0.00 0.00 66.41 62.08 1iqe h THR 127 Cb 1.20 2.56 -0.09 0.00 -1.73 0.00 0.00 68.15 70.09 1iqe h THR 127 CO 0.76 0.73 -0.39 0.61 -0.25 0.00 0.00 175.52 176.98 1iqe n GLY 128 N 1.10 3.15 0.17 5.82 0.00 -1.26 -5.05 105.19 109.12 1iqe n GLY 128 Ca 0.00 -2.34 0.12 0.00 0.00 0.00 0.00 46.02 43.80 1iqe n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqe h PRO 129 N 0.00 0.00 -2.35 1.61 0.13 -1.99 -3.39 132.00 126.02 1iqe h PRO 129 Ca -0.40 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.14 1iqe h PRO 129 Cb 1.31 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.03 1iqe h PRO 129 CO 0.65 0.00 -0.72 0.66 -0.23 0.00 0.00 178.00 178.36 1iqe n TYR 130 N -2.87 2.46 -2.70 1.56 4.01 -1.26 -5.10 117.16 113.26 1iqe n TYR 130 Ca 0.03 -4.01 -0.37 0.00 -0.16 0.00 0.00 57.90 53.39 1iqe n TYR 130 Cb 0.53 -0.47 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1iqe n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1iqe s PRO 131 N -1.84 4.41 0.56 -0.72 0.04 -1.26 -5.03 135.00 131.17 1iqe s PRO 131 Ca 0.35 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1iqe s PRO 131 Cb 0.11 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1iqe s PRO 131 CO -0.08 0.11 1.28 0.00 0.04 0.00 0.00 177.00 178.36 1iqe n GLY 133 N 0.66 1.49 3.55 0.00 0.00 -1.26 -5.03 105.19 104.60 1iqe n GLY 133 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1iqe n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqe s LYS 134 N -0.14 3.57 0.28 1.61 3.01 -1.16 -5.07 119.74 121.85 1iqe s LYS 134 Ca 0.00 -0.48 -0.29 0.00 -1.01 0.00 0.00 55.97 54.18 1iqe s LYS 134 Cb 0.00 -2.92 -0.10 0.00 -1.01 0.00 0.00 37.83 33.80 1iqe s LYS 134 CO 0.00 0.33 1.31 -0.65 0.51 0.00 0.00 175.35 176.85 1iqe s GLN 135 N 0.12 4.37 -0.36 1.68 -0.21 -1.26 -4.94 119.66 119.07 1iqe s GLN 135 Ca 0.00 2.15 -0.21 0.00 0.02 0.00 0.00 55.36 57.32 1iqe s GLN 135 Cb -0.13 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.76 1iqe s GLN 135 CO 0.02 -0.21 0.66 0.95 -2.12 0.00 0.00 175.29 174.60 1iqe s THR 136 N -0.65 4.86 -1.87 -0.19 -4.23 -1.26 -5.13 115.64 107.18 1iqe s THR 136 Ca 0.52 0.64 0.15 0.00 -1.18 0.00 0.00 61.69 61.82 1iqe s THR 136 Cb -0.39 -4.10 0.12 0.00 1.34 0.00 0.00 72.50 69.47 1iqe s THR 136 CO 0.47 -0.34 0.97 0.00 -0.54 0.00 0.00 174.62 175.18