#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioe n LEU 88 N 0.00 -1.45 0.00 3.14 7.94 -1.26 -4.84 117.00 120.53 1ioe n LEU 88 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 1ioe n LEU 88 Cb 0.00 -0.73 0.07 0.00 0.53 0.00 0.00 43.42 43.29 1ioe n LEU 88 CO 0.00 0.00 0.43 0.00 -1.11 0.00 0.00 177.39 176.71 1ioe n SER 90 N -0.55 1.77 0.19 0.00 7.64 -1.26 -3.09 113.62 118.33 1ioe n SER 90 Ca 0.02 0.24 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 1ioe n SER 90 Cb 0.01 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 62.52 1ioe n SER 90 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ioe h LEU 91 N 0.05 -0.97 -5.00 -3.43 7.12 -1.83 -3.41 115.31 107.84 1ioe h LEU 91 Ca -0.40 0.09 -0.21 0.00 0.13 0.00 0.00 57.88 57.50 1ioe h LEU 91 Cb 2.03 0.34 -0.14 0.00 -0.53 0.00 0.00 40.66 42.36 1ioe h LEU 91 CO 0.08 -0.48 -0.31 -0.67 -0.13 0.00 0.00 178.44 176.93 1ioe n ASP 92 N -5.45 -2.08 -3.21 1.25 2.03 -1.26 -4.94 116.55 102.89 1ioe n ASP 92 Ca -0.09 -3.23 -0.23 0.00 0.52 0.00 0.00 54.79 51.76 1ioe n ASP 92 Cb 0.36 1.74 0.01 0.00 -0.72 0.00 0.00 41.12 42.51 1ioe n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ioe n ASN 93 N 0.42 -4.70 -0.19 1.67 5.15 -1.18 0.18 115.26 116.62 1ioe n ASN 93 Ca 0.03 -0.34 -0.03 0.00 -0.60 0.00 0.00 54.58 53.65 1ioe n ASN 93 Cb 0.71 -3.84 -0.01 0.00 -0.53 0.00 0.00 39.78 36.11 1ioe n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ioe n GLY 94 N -1.31 0.24 2.15 8.20 0.00 -1.24 0.28 105.19 113.51 1ioe n GLY 94 Ca -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1ioe n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ioe n ASP 95 N -1.04 -3.53 -2.70 1.61 2.03 0.13 -5.00 116.55 108.04 1ioe n ASP 95 Ca -0.03 0.07 -0.04 0.00 0.52 0.00 0.00 54.79 55.31 1ioe n ASP 95 Cb 0.52 -1.27 0.03 0.00 -0.72 0.00 0.00 41.12 39.69 1ioe n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ioe n ASP 97 N -3.25 3.21 0.00 0.00 10.43 -0.89 -4.89 116.55 121.16 1ioe n ASP 97 Ca 0.02 -0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1ioe n ASP 97 Cb 0.07 -0.08 0.00 0.00 1.84 0.00 0.00 41.12 42.95 1ioe n ASP 97 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ioe n GLN 98 N -2.71 0.00 -1.68 -1.24 6.02 -1.26 -5.01 117.38 111.49 1ioe n GLN 98 Ca -0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.48 1ioe n GLN 98 Cb 0.59 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.84 1ioe n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ioe n PHE 99 N 0.00 2.15 -4.49 1.08 3.72 -0.96 -4.88 117.46 114.09 1ioe n PHE 99 Ca 0.00 0.56 -0.23 0.00 -0.05 0.00 0.00 57.45 57.73 1ioe n PHE 99 Cb 0.00 -2.40 -0.16 0.00 -0.94 0.00 0.00 39.48 35.98 1ioe n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ioe s HIS 101 N 0.67 1.69 -0.00 0.00 3.76 -0.61 -4.98 115.29 115.81 1ioe s HIS 101 Ca -0.13 -1.29 0.04 0.00 -0.15 0.00 0.00 55.06 53.53 1ioe s HIS 101 Cb -0.15 -0.98 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 1ioe s HIS 101 CO 0.03 -0.39 -0.14 -1.21 -0.85 0.00 0.00 174.74 172.17 1ioe s GLU 102 N -3.81 1.11 -0.72 1.40 2.02 -1.26 -1.23 118.70 116.21 1ioe s GLU 102 Ca 0.33 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1ioe s GLU 102 Cb 0.05 -1.08 0.25 0.00 0.10 0.00 0.00 34.13 33.46 1ioe s GLU 102 CO 0.16 0.29 0.85 -1.91 0.02 0.00 0.00 175.26 174.68 1ioe n GLU 103 N 2.64 2.81 0.00 1.61 2.13 0.11 -4.90 120.64 125.04 1ioe n GLU 103 Ca -0.15 -4.65 0.00 0.00 0.66 0.00 0.00 57.16 53.03 1ioe n GLU 103 Cb 0.55 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1ioe n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ioe n GLN 104 N 1.00 -0.61 0.00 5.31 0.00 -1.26 -2.89 117.38 118.92 1ioe n GLN 104 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.29 1ioe n GLN 104 Cb 0.39 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.26 1ioe n GLN 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1ioe n ASN 105 N 0.92 0.00 -4.43 2.61 6.94 -1.26 -5.15 115.26 114.89 1ioe n ASN 105 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 1ioe n ASN 105 Cb 0.00 0.02 -0.11 0.00 -2.36 0.00 0.00 39.78 37.34 1ioe n ASN 105 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1ioe s SER 106 N -1.11 2.38 0.14 0.53 0.01 -1.14 -4.43 113.70 110.07 1ioe s SER 106 Ca 0.00 -1.32 -0.11 0.00 1.31 0.00 0.00 55.95 55.82 1ioe s SER 106 Cb 0.00 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.08 1ioe s SER 106 CO 0.00 -0.55 0.49 0.68 0.41 0.00 0.00 173.24 174.27 1ioe s VAL 107 N -3.26 4.97 -0.15 3.43 -7.23 -1.26 0.07 120.40 116.97 1ioe s VAL 107 Ca 0.34 0.59 -0.00 0.00 -1.81 0.00 0.00 61.98 61.10 1ioe s VAL 107 Cb 0.07 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.37 1ioe s VAL 107 CO 0.14 0.19 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.34 1ioe s VAL 108 N -1.51 1.29 0.32 1.32 1.01 -0.36 -4.91 120.40 117.56 1ioe s VAL 108 Ca 0.38 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1ioe s VAL 108 Cb -0.14 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1ioe s VAL 108 CO 0.19 0.29 0.62 0.00 0.00 0.00 0.00 175.10 176.21 1ioe s SER 110 N -3.15 0.08 0.06 0.00 1.04 -0.93 -4.98 113.70 105.82 1ioe s SER 110 Ca 0.46 -1.03 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 1ioe s SER 110 Cb -0.11 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1ioe s SER 110 CO 0.30 -1.22 -0.04 0.00 0.98 0.00 0.00 173.24 173.25 1ioe s ALA 112 N -3.63 2.14 0.08 0.00 0.00 -1.26 -4.80 121.76 114.29 1ioe s ALA 112 Ca 0.07 0.65 -0.37 0.00 0.00 0.00 0.00 51.96 52.31 1ioe s ALA 112 Cb 0.06 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.61 1ioe s ALA 112 CO -0.08 -1.82 1.27 0.54 0.00 0.00 0.00 175.76 175.67 1ioe n ARG 113 N -2.97 0.95 -0.11 0.00 3.00 -1.26 -1.04 116.66 115.23 1ioe n ARG 113 Ca 0.12 0.34 0.00 0.00 -0.01 0.00 0.00 57.85 58.30 1ioe n ARG 113 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 31.04 1ioe n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ioe n GLY 114 N 2.29 0.75 3.47 -0.13 0.00 -1.26 -4.66 105.19 105.65 1ioe n GLY 114 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1ioe n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ioe s TYR 115 N -2.11 2.08 -0.03 1.61 1.51 -0.20 -3.18 117.35 117.03 1ioe s TYR 115 Ca 0.00 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.38 1ioe s TYR 115 Cb 0.00 -1.22 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1ioe s TYR 115 CO 0.00 0.34 0.06 0.95 -1.11 0.00 0.00 175.55 175.78 1ioe s THR 116 N -2.93 -0.06 -0.07 -0.71 -4.23 -0.47 -4.88 115.64 102.29 1ioe s THR 116 Ca 0.31 0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 1ioe s THR 116 Cb 0.04 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.71 1ioe s THR 116 CO 0.14 0.09 1.67 -0.22 -0.54 0.00 0.00 174.62 175.76 1ioe s LEU 117 N 1.13 4.27 0.00 4.79 2.96 -1.26 -1.76 118.68 128.80 1ioe s LEU 117 Ca -0.09 2.18 -0.24 0.00 -0.22 0.00 0.00 54.13 55.77 1ioe s LEU 117 Cb -0.13 -3.53 0.37 0.00 0.50 0.00 0.00 46.19 43.40 1ioe s LEU 117 CO -0.04 -0.99 0.90 0.00 -1.32 0.00 0.00 176.35 174.91 1ioe n ALA 118 N 7.37 -4.87 0.09 5.97 0.00 -0.81 -4.83 120.51 123.43 1ioe n ALA 118 Ca 0.18 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.95 1ioe n ALA 118 Cb 0.43 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1ioe n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ioe h ASP 119 N -3.47 -0.14 0.00 0.00 5.19 -1.94 -1.77 116.42 114.29 1ioe h ASP 119 Ca -0.39 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1ioe h ASP 119 Cb 1.30 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1ioe h ASP 119 CO 0.24 -0.00 0.01 -0.46 -3.12 0.00 0.00 179.24 175.90 1ioe n ASN 120 N -5.11 0.00 -1.94 6.45 0.23 -1.26 -4.75 115.26 108.87 1ioe n ASN 120 Ca -0.08 0.12 -0.20 0.00 -0.53 0.00 0.00 54.58 53.88 1ioe n ASN 120 Cb 0.13 -0.12 -0.05 0.00 -2.08 0.00 0.00 39.78 37.67 1ioe n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ioe n GLY 121 N -1.10 0.71 0.90 4.83 0.00 -0.67 -4.79 105.19 105.08 1ioe n GLY 121 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ioe n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ioe n LYS 122 N -2.69 0.00 -1.68 1.61 5.02 -1.26 -4.42 118.16 114.75 1ioe n LYS 122 Ca -0.22 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 1ioe n LYS 122 Cb 0.67 -0.47 0.10 0.00 -0.02 0.00 0.00 35.03 35.32 1ioe n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ioe s ALA 123 N -1.83 2.26 0.16 7.82 0.00 -1.26 -2.09 121.76 126.81 1ioe s ALA 123 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1ioe s ALA 123 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1ioe s ALA 123 CO 0.00 -1.84 -0.17 0.00 0.00 0.00 0.00 175.76 173.75 1ioe s ILE 125 N -2.16 0.02 0.99 0.00 1.01 -0.72 -4.87 121.20 115.48 1ioe s ILE 125 Ca 0.15 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1ioe s ILE 125 Cb -0.05 -0.30 0.19 0.00 0.01 0.00 0.00 42.46 42.31 1ioe s ILE 125 CO 0.06 -0.10 1.09 -2.84 0.00 0.00 0.00 174.94 173.15 1ioe s PRO 126 N -0.29 0.46 0.00 2.79 0.02 -1.26 -1.37 135.00 135.35 1ioe s PRO 126 Ca -0.04 0.58 0.00 0.00 0.02 0.00 0.00 61.00 61.57 1ioe s PRO 126 Cb -0.03 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1ioe s PRO 126 CO 0.01 -2.72 0.00 0.25 -0.33 0.00 0.00 177.00 174.20 1ioe n THR 127 N -4.18 0.00 -2.82 0.99 -2.24 -1.19 -4.79 114.28 100.05 1ioe n THR 127 Ca 0.05 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1ioe n THR 127 Cb 0.57 -0.99 0.10 0.00 -2.10 0.00 0.00 70.33 67.91 1ioe n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ioe s GLY 128 N -4.53 1.72 0.00 3.38 0.00 -1.26 -5.00 107.32 101.63 1ioe s GLY 128 Ca 0.00 -2.05 0.28 0.00 0.00 0.00 0.00 44.72 42.95 1ioe s GLY 128 CO 0.00 -1.48 1.74 -1.55 0.00 0.00 0.00 173.10 171.81 1ioe n PRO 129 N -2.62 1.11 -3.26 2.90 -0.04 -1.26 -4.38 135.00 127.45 1ioe n PRO 129 Ca 0.17 -0.57 -0.25 0.00 -0.04 0.00 0.00 63.50 62.81 1ioe n PRO 129 Cb 0.61 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 1ioe n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ioe n TYR 130 N -0.44 0.65 -2.51 0.54 4.01 -1.26 -5.10 117.16 113.04 1ioe n TYR 130 Ca 0.16 -3.71 -0.40 0.00 -0.16 0.00 0.00 57.90 53.79 1ioe n TYR 130 Cb 0.32 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 38.92 1ioe n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ioe s PRO 131 N -1.47 4.65 0.40 -0.72 0.04 -1.26 -4.99 135.00 131.66 1ioe s PRO 131 Ca 0.36 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 1ioe s PRO 131 Cb 0.16 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 1ioe s PRO 131 CO -0.09 0.22 1.24 0.00 0.04 0.00 0.00 177.00 178.41 1ioe n GLY 133 N 0.85 1.09 3.51 0.00 0.00 -1.26 -5.05 105.19 104.34 1ioe n GLY 133 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1ioe n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ioe s LYS 134 N -0.45 3.67 -0.01 1.61 -0.14 -1.16 -5.06 119.74 118.18 1ioe s LYS 134 Ca 0.00 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 1ioe s LYS 134 Cb 0.00 -2.92 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 1ioe s LYS 134 CO 0.00 0.26 1.74 -0.65 -0.76 0.00 0.00 175.35 175.94 1ioe s GLN 135 N 0.31 4.17 -0.92 1.68 -0.21 -1.26 -4.86 119.66 118.58 1ioe s GLN 135 Ca -0.03 2.32 -0.24 0.00 0.02 0.00 0.00 55.36 57.42 1ioe s GLN 135 Cb -0.14 -3.99 -0.06 0.00 1.00 0.00 0.00 33.01 29.83 1ioe s GLN 135 CO 0.03 -0.86 1.97 0.95 -2.12 0.00 0.00 175.29 175.26 1ioe s THR 136 N 3.98 3.43 -2.90 -0.19 -4.23 -1.26 -5.18 115.64 109.29 1ioe s THR 136 Ca 0.77 -0.39 0.25 0.00 -1.18 0.00 0.00 61.69 61.14 1ioe s THR 136 Cb -0.37 -3.99 0.26 0.00 1.34 0.00 0.00 72.50 69.75 1ioe s THR 136 CO 0.33 -0.89 1.36 0.18 -0.54 0.00 0.00 174.62 175.06