#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffg n LEU 88 N 0.00 0.00 0.29 -0.35 4.77 -1.26 0.03 117.00 120.47 3ffg n LEU 88 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3ffg n LEU 88 Cb 0.00 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 41.92 3ffg n LEU 88 CO 0.00 0.00 1.10 0.00 -1.33 0.00 0.00 177.39 177.16 3ffg n SER 90 N -4.01 0.30 -4.34 0.00 7.64 0.10 -2.81 113.62 110.50 3ffg n SER 90 Ca -0.03 0.47 -0.46 0.00 1.01 0.00 0.00 58.87 59.86 3ffg n SER 90 Cb 0.09 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 3ffg n SER 90 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ffg s LEU 91 N -3.51 5.94 -1.45 -3.43 2.96 -0.31 -4.58 118.68 114.30 3ffg s LEU 91 Ca 0.13 -1.84 -0.02 0.00 -0.22 0.00 0.00 54.13 52.17 3ffg s LEU 91 Cb 0.17 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3ffg s LEU 91 CO 0.57 -0.91 0.44 -0.67 -1.32 0.00 0.00 176.35 174.45 3ffg n ASP 92 N 5.48 -0.61 -2.24 3.68 4.64 -1.26 -1.38 116.55 124.86 3ffg n ASP 92 Ca -0.05 -1.02 -0.16 0.00 -1.38 0.00 0.00 54.79 52.17 3ffg n ASP 92 Cb 0.43 -2.93 -0.02 0.00 -1.04 0.00 0.00 41.12 37.55 3ffg n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3ffg n ASN 93 N -2.94 -4.69 -0.87 1.67 5.15 -1.12 -0.88 115.26 111.58 3ffg n ASN 93 Ca -0.27 0.16 -0.11 0.00 -0.60 0.00 0.00 54.58 53.76 3ffg n ASN 93 Cb 0.66 -4.00 -0.05 0.00 -0.53 0.00 0.00 39.78 35.87 3ffg n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ffg n GLY 94 N -0.78 1.15 2.43 8.20 0.00 -0.48 -1.42 105.19 114.28 3ffg n GLY 94 Ca -0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 3ffg n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ffg n ASP 95 N -0.80 -4.39 -4.78 1.61 4.64 -0.06 -5.00 116.55 107.76 3ffg n ASP 95 Ca -0.11 0.07 -0.37 0.00 -1.38 0.00 0.00 54.79 53.00 3ffg n ASP 95 Cb 0.51 -2.16 -0.06 0.00 -1.04 0.00 0.00 41.12 38.38 3ffg n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ffg h ASP 97 N 3.04 0.78 0.00 0.00 3.45 -1.61 -3.47 116.42 118.61 3ffg h ASP 97 Ca -0.47 -0.24 0.00 0.00 0.43 0.00 0.00 57.03 56.75 3ffg h ASP 97 Cb 1.20 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3ffg h ASP 97 CO 0.64 0.82 0.00 0.00 -1.57 0.00 0.00 179.24 179.13 3ffg n GLN 98 N -4.44 0.00 -2.31 3.56 6.02 -1.26 -5.00 117.38 113.95 3ffg n GLN 98 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 3ffg n GLN 98 Cb 0.23 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.46 3ffg n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3ffg s PHE 99 N 2.05 3.35 -0.07 1.08 0.08 -0.45 -4.90 117.98 119.12 3ffg s PHE 99 Ca 0.00 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.57 3ffg s PHE 99 Cb 0.00 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 3ffg s PHE 99 CO 0.00 -1.27 -0.18 0.00 -0.10 0.00 0.00 175.22 173.68 3ffg s HIS 101 N 0.40 1.59 -0.29 0.00 3.76 0.09 -4.99 115.29 115.85 3ffg s HIS 101 Ca -0.14 -0.48 -0.07 0.00 -0.15 0.00 0.00 55.06 54.22 3ffg s HIS 101 Cb -0.16 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.70 3ffg s HIS 101 CO 0.05 0.20 0.09 -1.21 -0.85 0.00 0.00 174.74 173.03 3ffg s GLU 102 N -2.37 3.19 -0.12 1.40 2.02 -1.26 -0.10 118.70 121.47 3ffg s GLU 102 Ca 0.08 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.31 3ffg s GLU 102 Cb -0.07 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.76 3ffg s GLU 102 CO 0.04 -0.42 -0.20 -1.21 0.02 0.00 0.00 175.26 173.50 3ffg s GLU 103 N 1.53 2.67 -1.47 1.61 2.02 0.22 -4.74 118.70 120.55 3ffg s GLU 103 Ca 0.03 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.18 3ffg s GLU 103 Cb -0.17 -2.15 0.06 0.00 0.10 0.00 0.00 34.13 31.97 3ffg s GLU 103 CO 0.03 0.02 0.95 1.04 0.02 0.00 0.00 175.26 177.32 3ffg n GLN 104 N 3.97 -5.63 -1.89 1.61 6.02 -1.26 -1.36 117.38 118.84 3ffg n GLN 104 Ca -0.20 0.62 -0.15 0.00 -0.01 0.00 0.00 57.00 57.27 3ffg n GLN 104 Cb 0.52 -5.46 -0.03 0.00 1.02 0.00 0.00 30.24 26.28 3ffg n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3ffg n ASN 105 N -2.90 -4.59 -4.10 1.08 5.15 -1.26 -4.99 115.26 103.66 3ffg n ASN 105 Ca -0.03 0.16 -0.11 0.00 -0.60 0.00 0.00 54.58 53.99 3ffg n ASN 105 Cb 0.56 -3.57 -0.11 0.00 -0.53 0.00 0.00 39.78 36.13 3ffg n ASN 105 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ffg s SER 106 N -2.57 0.90 0.04 1.20 0.15 -0.46 -5.05 113.70 107.91 3ffg s SER 106 Ca 0.00 -0.76 -0.30 0.00 0.70 0.00 0.00 55.95 55.59 3ffg s SER 106 Cb 0.00 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 3ffg s SER 106 CO 0.00 -0.34 1.01 -0.69 1.20 0.00 0.00 173.24 174.42 3ffg s VAL 107 N -2.46 4.61 -0.14 4.45 1.01 -1.26 -0.61 120.40 126.00 3ffg s VAL 107 Ca -0.01 1.95 0.01 0.00 0.00 0.00 0.00 61.98 63.94 3ffg s VAL 107 Cb -0.03 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.12 3ffg s VAL 107 CO -0.03 0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 3ffg s VAL 108 N 0.72 1.73 0.20 2.92 1.01 0.86 -4.91 120.40 122.92 3ffg s VAL 108 Ca 0.52 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 3ffg s VAL 108 Cb -0.23 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 3ffg s VAL 108 CO 0.29 0.49 0.45 0.00 0.00 0.00 0.00 175.10 176.33 3ffg s SER 110 N -2.61 0.37 0.15 0.00 1.04 -0.36 -4.96 113.70 107.33 3ffg s SER 110 Ca 0.43 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.69 3ffg s SER 110 Cb -0.11 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3ffg s SER 110 CO 0.25 -1.25 -0.11 0.00 0.98 0.00 0.00 173.24 173.11 3ffg s ALA 112 N -3.03 1.34 0.36 0.00 0.00 -1.26 -4.91 121.76 114.26 3ffg s ALA 112 Ca 0.15 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 3ffg s ALA 112 Cb 0.01 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 3ffg s ALA 112 CO 0.02 -2.52 1.46 1.03 0.00 0.00 0.00 175.76 175.74 3ffg s ARG 113 N -4.89 4.16 0.00 0.00 0.52 -1.26 -2.04 118.95 115.45 3ffg s ARG 113 Ca 0.64 2.49 0.00 0.00 -0.52 0.00 0.00 55.73 58.35 3ffg s ARG 113 Cb -0.19 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3ffg s ARG 113 CO 0.58 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.84 3ffg n GLY 114 N 0.68 0.72 3.39 -3.53 0.00 -1.26 -4.68 105.19 100.51 3ffg n GLY 114 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3ffg n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ffg s TYR 115 N -2.44 2.34 0.00 1.61 2.02 -0.86 -1.44 117.35 118.57 3ffg s TYR 115 Ca 0.00 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 3ffg s TYR 115 Cb 0.00 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 3ffg s TYR 115 CO 0.00 0.30 -0.21 0.95 -1.57 0.00 0.00 175.55 175.03 3ffg s THR 116 N -1.02 2.54 0.07 -0.71 -4.23 0.27 -4.78 115.64 107.77 3ffg s THR 116 Ca 0.14 -1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 59.26 3ffg s THR 116 Cb -0.10 -1.99 -0.07 0.00 1.34 0.00 0.00 72.50 71.68 3ffg s THR 116 CO 0.06 0.48 1.36 -0.22 -0.54 0.00 0.00 174.62 175.75 3ffg s LEU 117 N -0.99 4.35 1.05 4.79 2.96 -1.26 -0.51 118.68 129.07 3ffg s LEU 117 Ca 0.12 2.20 -0.12 0.00 -0.22 0.00 0.00 54.13 56.10 3ffg s LEU 117 Cb -0.10 -3.58 0.22 0.00 0.50 0.00 0.00 46.19 43.23 3ffg s LEU 117 CO 0.02 -0.64 1.07 0.00 -1.32 0.00 0.00 176.35 175.48 3ffg s ALA 118 N 1.53 0.49 0.52 5.97 0.00 0.46 -4.85 121.76 125.88 3ffg s ALA 118 Ca 0.63 -0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.55 3ffg s ALA 118 Cb -0.34 -3.18 1.29 0.00 0.00 0.00 0.00 23.12 20.89 3ffg s ALA 118 CO 0.29 -3.17 2.10 -0.44 0.00 0.00 0.00 175.76 174.54 3ffg h ASP 119 N -2.14 0.03 -0.00 0.00 3.32 -1.94 -0.78 116.42 114.91 3ffg h ASP 119 Ca -0.56 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3ffg h ASP 119 Cb 1.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3ffg h ASP 119 CO 0.54 0.02 0.00 -0.46 -1.72 0.00 0.00 179.24 177.62 3ffg n ASN 120 N -4.49 0.04 -0.35 6.45 0.23 -1.26 -4.88 115.26 110.99 3ffg n ASN 120 Ca 0.01 -1.17 -0.05 0.00 -0.53 0.00 0.00 54.58 52.85 3ffg n ASN 120 Cb 0.24 -0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.92 3ffg n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ffg n GLY 121 N 0.93 0.66 1.29 4.83 0.00 -0.30 -4.79 105.19 107.81 3ffg n GLY 121 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3ffg n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ffg n LYS 122 N -1.72 0.00 -2.15 1.61 5.02 -1.26 -4.15 118.16 115.51 3ffg n LYS 122 Ca -0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.92 3ffg n LYS 122 Cb 0.29 -0.34 -0.00 0.00 -0.02 0.00 0.00 35.03 34.96 3ffg n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ffg s ALA 123 N -1.97 2.84 -0.16 7.82 0.00 -1.26 -1.58 121.76 127.46 3ffg s ALA 123 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 3ffg s ALA 123 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 3ffg s ALA 123 CO 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 175.76 175.00 3ffg s ILE 125 N 0.73 3.50 0.45 0.00 -1.09 0.33 -4.90 121.20 120.23 3ffg s ILE 125 Ca -0.05 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.64 3ffg s ILE 125 Cb -0.15 -2.54 -0.08 0.00 -1.58 0.00 0.00 42.46 38.10 3ffg s ILE 125 CO 0.01 0.47 1.38 -2.84 -1.23 0.00 0.00 174.94 172.74 3ffg s PRO 126 N 0.80 3.70 0.07 2.79 0.02 -1.26 -0.57 135.00 140.55 3ffg s PRO 126 Ca -0.02 2.32 0.23 0.00 0.02 0.00 0.00 61.00 63.55 3ffg s PRO 126 Cb -0.15 -2.63 0.13 0.00 0.02 0.00 0.00 34.50 31.87 3ffg s PRO 126 CO 0.02 -0.77 1.10 0.25 -0.33 0.00 0.00 177.00 177.26 3ffg n THR 127 N -0.21 0.23 -3.37 0.99 -2.24 -0.52 -4.85 114.28 104.31 3ffg n THR 127 Ca 0.05 -0.26 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 3ffg n THR 127 Cb 0.43 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 3ffg n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ffg n GLY 128 N 1.35 1.55 3.75 3.38 0.00 -1.26 -5.13 105.19 108.83 3ffg n GLY 128 Ca 0.02 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 3ffg n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ffg s PRO 129 N -2.05 2.33 -1.27 1.61 0.04 -1.26 -3.94 135.00 130.47 3ffg s PRO 129 Ca 0.07 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 3ffg s PRO 129 Cb -0.02 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 3ffg s PRO 129 CO 0.05 -1.62 0.76 0.66 0.04 0.00 0.00 177.00 176.89 3ffg n TYR 130 N -2.95 -1.98 -1.62 0.56 4.01 -1.26 -4.96 117.16 108.96 3ffg n TYR 130 Ca 0.11 0.84 -0.35 0.00 -0.16 0.00 0.00 57.90 58.34 3ffg n TYR 130 Cb 0.52 -4.44 0.07 0.00 -0.31 0.00 0.00 39.34 35.18 3ffg n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3ffg s PRO 131 N -5.81 2.44 0.55 -0.72 0.04 -1.25 -4.93 135.00 125.32 3ffg s PRO 131 Ca 0.04 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 3ffg s PRO 131 Cb -0.01 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 3ffg s PRO 131 CO 0.80 -1.60 1.33 0.00 0.04 0.00 0.00 177.00 177.57 3ffg n GLY 133 N 0.71 0.79 3.57 0.00 0.00 -1.26 -5.02 105.19 103.97 3ffg n GLY 133 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3ffg n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffg s LYS 134 N -0.05 3.83 0.81 1.61 -0.14 -1.20 -5.10 119.74 119.50 3ffg s LYS 134 Ca 0.00 -0.42 -0.12 0.00 -1.36 0.00 0.00 55.97 54.07 3ffg s LYS 134 Cb 0.00 -3.09 0.08 0.00 -1.68 0.00 0.00 37.83 33.14 3ffg s LYS 134 CO 0.00 0.24 1.14 -0.65 -0.76 0.00 0.00 175.35 175.32 3ffg s GLN 135 N 0.43 1.79 -0.82 1.68 -0.21 -1.26 -4.94 119.66 116.34 3ffg s GLN 135 Ca 0.00 1.49 0.01 0.00 0.02 0.00 0.00 55.36 56.89 3ffg s GLN 135 Cb -0.13 -1.82 0.23 0.00 1.00 0.00 0.00 33.01 32.29 3ffg s GLN 135 CO 0.02 -2.04 0.80 0.25 -2.12 0.00 0.00 175.29 172.20 3ffg n THR 136 N -3.49 2.85 -0.04 -0.19 -2.24 -1.26 -4.86 114.28 105.06 3ffg n THR 136 Ca 0.11 -5.20 0.05 0.00 -2.27 0.00 0.00 64.05 56.74 3ffg n THR 136 Cb 0.52 -2.23 -0.16 0.00 -2.10 0.00 0.00 70.33 66.35 3ffg n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ffg n LEU 137 N 1.72 0.00 -0.16 3.22 4.32 -1.26 -5.27 117.00 119.58 3ffg n LEU 137 Ca 0.24 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.38 3ffg n LEU 137 Cb 0.37 0.15 0.81 0.00 -1.62 0.00 0.00 43.42 43.13 3ffg n LEU 137 CO 0.40 0.15 1.03 -0.62 -1.22 0.00 0.00 177.39 177.13