#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi8 s PHE 96 N 0.00 2.88 -0.67 2.13 5.36 -1.26 -5.00 117.98 121.41 1fi8 s PHE 96 Ca 0.00 -0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 55.19 1fi8 s PHE 96 Cb 0.00 -3.98 0.06 0.00 -0.34 0.00 0.00 43.02 38.77 1fi8 s PHE 96 CO 0.00 -1.34 1.01 0.14 -1.46 0.00 0.00 175.22 173.57 1fi8 s VAL 97 N 3.31 4.23 0.53 3.12 -7.23 -1.26 -5.02 120.40 118.08 1fi8 s VAL 97 Ca 0.19 -0.25 -0.12 0.00 -1.81 0.00 0.00 61.98 60.00 1fi8 s VAL 97 Cb -0.18 -4.72 -0.06 0.00 0.56 0.00 0.00 36.38 31.98 1fi8 s VAL 97 CO 0.11 -1.52 0.94 0.42 -0.31 0.00 0.00 175.10 174.74 1fi8 s THR 98 N 4.32 4.69 0.06 5.32 -4.23 -1.26 -5.08 115.64 119.46 1fi8 s THR 98 Ca 0.24 0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1fi8 s THR 98 Cb -0.16 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1fi8 s THR 98 CO 0.11 -0.85 0.23 0.00 -0.54 0.00 0.00 174.62 173.57 1fi8 s ALA 99 N -2.80 3.97 -0.41 3.99 0.00 -1.26 -5.05 121.76 120.20 1fi8 s ALA 99 Ca 0.55 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1fi8 s ALA 99 Cb -0.10 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.15 1fi8 s ALA 99 CO 0.41 0.79 1.13 -0.47 0.00 0.00 0.00 175.76 177.63 1fi8 s TYR 100 N -1.49 2.91 -0.13 0.00 5.04 -1.26 -4.87 117.35 117.54 1fi8 s TYR 100 Ca 0.34 0.88 0.18 0.00 -2.44 0.00 0.00 57.07 56.04 1fi8 s TYR 100 Cb -0.13 -4.16 -0.17 0.00 0.35 0.00 0.00 41.96 37.85 1fi8 s TYR 100 CO 0.26 -1.15 0.68 1.28 -1.34 0.00 0.00 175.55 175.28 1fi8 n LEU 101 N 7.55 0.62 0.00 6.97 4.77 -1.26 -5.07 117.00 130.57 1fi8 n LEU 101 Ca 0.12 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1fi8 n LEU 101 Cb 0.48 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1fi8 n LEU 101 CO 0.67 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1fi8 n GLY 102 N 1.42 0.22 0.14 -0.72 0.00 -1.26 -3.77 105.19 101.23 1fi8 n GLY 102 Ca -0.12 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.76 1fi8 n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fi8 h ASP 103 N 6.74 0.00 0.21 1.61 3.32 -1.97 -2.95 116.42 123.37 1fi8 h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fi8 h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1fi8 h ASP 103 CO 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1fi8 n ALA 104 N -2.32 1.59 1.12 3.45 0.00 -1.25 -1.71 120.51 121.39 1fi8 n ALA 104 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1fi8 n ALA 104 Cb 0.66 -1.16 0.26 0.00 0.00 0.00 0.00 19.45 19.21 1fi8 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fi8 n GLY 105 N -0.47 -0.83 3.33 0.00 0.00 -1.11 -4.74 105.19 101.36 1fi8 n GLY 105 Ca 0.04 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1fi8 n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fi8 s MET 106 N -2.72 2.97 0.24 1.61 1.00 -0.69 -5.05 119.30 116.65 1fi8 s MET 106 Ca 0.18 -0.94 0.08 0.00 0.00 0.00 0.00 55.69 55.00 1fi8 s MET 106 Cb 0.18 -3.40 -0.04 0.00 0.00 0.00 0.00 34.83 31.57 1fi8 s MET 106 CO 0.62 -0.51 0.10 -0.51 0.00 0.00 0.00 175.02 174.72 1fi8 s LEU 107 N 1.48 3.54 0.33 -0.03 1.43 -1.26 -5.03 118.68 119.13 1fi8 s LEU 107 Ca 0.02 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 1fi8 s LEU 107 Cb -0.18 -2.09 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1fi8 s LEU 107 CO 0.03 0.00 1.21 -0.60 0.23 0.00 0.00 176.35 177.22 1fi8 s ARG 108 N -3.58 4.40 -0.59 1.70 3.52 -1.26 -4.95 118.95 118.19 1fi8 s ARG 108 Ca 0.31 2.00 -0.26 0.00 -0.13 0.00 0.00 55.73 57.65 1fi8 s ARG 108 Cb -0.08 -3.04 0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1fi8 s ARG 108 CO 0.22 -0.07 1.09 -0.47 -0.81 0.00 0.00 175.30 175.26 1fi8 s TYR 109 N -1.20 2.65 -0.39 5.12 6.14 -1.26 -4.95 117.35 123.46 1fi8 s TYR 109 Ca 0.49 0.17 0.01 0.00 0.64 0.00 0.00 57.07 58.37 1fi8 s TYR 109 Cb -0.35 -4.34 0.13 0.00 0.42 0.00 0.00 41.96 37.82 1fi8 s TYR 109 CO 0.46 -1.54 0.21 1.21 0.64 0.00 0.00 175.55 176.53 1fi8 s ASN 110 N 3.01 3.48 0.00 4.32 2.47 -1.26 -4.99 114.94 121.98 1fi8 s ASN 110 Ca 0.36 -2.33 0.05 0.00 0.42 0.00 0.00 52.86 51.36 1fi8 s ASN 110 Cb -0.10 -0.80 0.20 0.00 -1.45 0.00 0.00 41.25 39.11 1fi8 s ASN 110 CO 0.21 -0.30 1.14 -1.54 -3.72 0.00 0.00 177.10 172.89 1fi8 n SER 111 N 3.91 0.00 0.10 -4.21 3.41 -1.26 -2.38 113.62 113.19 1fi8 n SER 111 Ca 0.08 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1fi8 n SER 111 Cb 0.36 -0.48 0.45 0.00 -0.26 0.00 0.00 64.21 64.28 1fi8 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fi8 n LYS 112 N -1.48 0.19 -3.99 4.33 5.02 -1.26 -4.77 118.16 116.20 1fi8 n LYS 112 Ca 0.01 0.29 -0.09 0.00 -2.02 0.00 0.00 58.31 56.50 1fi8 n LYS 112 Cb 0.05 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.17 1fi8 n LYS 112 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fi8 s LEU 113 N -4.27 2.25 0.56 -0.35 1.43 -1.00 -5.16 118.68 112.15 1fi8 s LEU 113 Ca 0.08 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1fi8 s LEU 113 Cb 0.11 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.39 1fi8 s LEU 113 CO 0.48 -0.30 0.91 -2.16 0.23 0.00 0.00 176.35 175.51 1fi8 s PRO 114 N -1.53 3.35 -0.23 1.29 0.04 -1.26 -4.86 135.00 131.80 1fi8 s PRO 114 Ca -0.15 0.33 -0.07 0.00 0.04 0.00 0.00 61.00 61.15 1fi8 s PRO 114 Cb -0.10 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1fi8 s PRO 114 CO -0.01 -0.49 0.06 0.42 0.04 0.00 0.00 177.00 177.02 1fi8 s ILE 115 N -2.97 4.37 -0.12 0.56 1.01 -1.26 -5.08 121.20 117.70 1fi8 s ILE 115 Ca 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1fi8 s ILE 115 Cb -0.11 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1fi8 s ILE 115 CO 0.48 0.37 -0.12 -0.69 0.00 0.00 0.00 174.94 174.98 1fi8 s VAL 116 N 1.29 3.13 -0.04 2.92 1.01 -1.26 -5.11 120.40 122.34 1fi8 s VAL 116 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1fi8 s VAL 116 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1fi8 s VAL 116 CO 0.03 0.53 -0.04 -0.69 0.00 0.00 0.00 175.10 174.93 1fi8 s VAL 117 N 0.18 0.49 -0.22 2.92 1.01 -1.26 -5.12 120.40 118.39 1fi8 s VAL 117 Ca -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1fi8 s VAL 117 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1fi8 s VAL 117 CO 0.05 0.21 0.11 -0.31 0.00 0.00 0.00 175.10 175.15 1fi8 s TYR 118 N 0.79 3.24 0.04 5.22 1.51 -1.26 -5.09 117.35 121.81 1fi8 s TYR 118 Ca -0.10 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1fi8 s TYR 118 Cb -0.13 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1fi8 s TYR 118 CO 0.00 0.00 -0.04 0.95 -1.11 0.00 0.00 175.55 175.35 1fi8 s THR 119 N 0.96 0.28 0.68 -0.71 -4.23 -1.26 -5.14 115.64 106.21 1fi8 s THR 119 Ca 0.06 -1.36 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 1fi8 s THR 119 Cb -0.14 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1fi8 s THR 119 CO 0.03 -0.70 0.64 -2.65 -0.54 0.00 0.00 174.62 171.41 1fi8 n PRO 120 N 0.88 0.43 0.16 3.99 -0.02 -1.26 -4.79 135.00 134.40 1fi8 n PRO 120 Ca -0.19 0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.66 1fi8 n PRO 120 Cb 0.58 -1.90 0.78 0.00 -0.02 0.00 0.00 33.50 32.93 1fi8 n PRO 120 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1fi8 h ASP 121 N -0.15 0.00 -0.65 2.55 3.32 -2.05 0.65 116.42 120.08 1fi8 h ASP 121 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1fi8 h ASP 121 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1fi8 h ASP 121 CO 0.45 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 1fi8 n ASN 122 N -3.55 4.76 -4.22 6.45 0.23 -1.26 -4.90 115.26 112.77 1fi8 n ASN 122 Ca 0.04 -2.44 -0.32 0.00 -0.53 0.00 0.00 54.58 51.33 1fi8 n ASN 122 Cb 0.51 -0.58 -0.17 0.00 -2.08 0.00 0.00 39.78 37.46 1fi8 n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1fi8 s VAL 123 N -1.85 2.06 0.29 3.53 1.01 0.22 -5.13 120.40 120.52 1fi8 s VAL 123 Ca 0.51 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1fi8 s VAL 123 Cb 0.33 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1fi8 s VAL 123 CO 0.25 0.56 0.28 -1.81 0.00 0.00 0.00 175.10 174.38 1fi8 s ASP 124 N 0.29 5.56 -0.10 3.32 1.01 -1.26 -4.62 116.67 120.86 1fi8 s ASP 124 Ca -0.17 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1fi8 s ASP 124 Cb -0.18 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.52 1fi8 s ASP 124 CO 0.08 -0.21 -0.08 -0.69 0.21 0.00 0.00 175.17 174.48 1fi8 s VAL 125 N -2.19 1.00 0.50 -1.27 1.01 -1.26 -5.11 120.40 113.08 1fi8 s VAL 125 Ca 0.37 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1fi8 s VAL 125 Cb -0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1fi8 s VAL 125 CO 0.27 0.35 0.02 0.29 0.00 0.00 0.00 175.10 176.03 1fi8 n LYS 126 N 4.67 0.72 -3.61 2.72 5.02 -1.26 -5.17 118.16 121.25 1fi8 n LYS 126 Ca -0.15 -3.75 -0.10 0.00 -2.02 0.00 0.00 58.31 52.29 1fi8 n LYS 126 Cb 0.50 1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 36.62 1fi8 n LYS 126 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1fi8 s TYR 127 N -2.92 -0.40 0.07 2.13 1.13 -1.26 -5.17 117.35 110.95 1fi8 s TYR 127 Ca 0.03 0.82 0.05 0.00 -1.41 0.00 0.00 57.07 56.56 1fi8 s TYR 127 Cb 0.00 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1fi8 s TYR 127 CO 0.02 -0.28 -0.13 -0.98 -2.51 0.00 0.00 175.55 171.67 1fi8 s ARG 128 N -0.51 0.81 0.15 -3.49 1.70 -1.26 -5.15 118.95 111.20 1fi8 s ARG 128 Ca 0.01 -0.98 -0.10 0.00 -0.47 0.00 0.00 55.73 54.19 1fi8 s ARG 128 Cb -0.02 -0.76 -0.06 0.00 -0.57 0.00 0.00 34.95 33.53 1fi8 s ARG 128 CO -0.02 0.16 0.47 0.08 -1.08 0.00 0.00 175.30 174.91 1fi8 s VAL 129 N -1.46 5.00 -0.12 4.99 1.01 -1.26 -5.08 120.40 123.48 1fi8 s VAL 129 Ca -0.01 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1fi8 s VAL 129 Cb -0.09 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1fi8 s VAL 129 CO 0.02 0.13 -0.21 0.26 0.00 0.00 0.00 175.10 175.29 1fi8 s TRP 130 N -1.58 2.65 -0.06 5.22 0.52 -1.26 -5.12 118.94 119.30 1fi8 s TRP 130 Ca 0.40 -1.12 0.04 0.00 0.02 0.00 0.00 56.10 55.44 1fi8 s TRP 130 Cb -0.13 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 1fi8 s TRP 130 CO 0.20 -0.48 -0.17 0.21 0.02 0.00 0.00 176.95 176.74 1fi8 s LYS 131 N 0.57 2.63 0.42 4.98 2.20 -1.26 -5.10 119.74 124.18 1fi8 s LYS 131 Ca -0.12 -0.75 -0.24 0.00 -0.36 0.00 0.00 55.97 54.50 1fi8 s LYS 131 Cb -0.17 -2.36 -0.08 0.00 -1.51 0.00 0.00 37.83 33.71 1fi8 s LYS 131 CO 0.04 0.51 1.10 0.00 -0.36 0.00 0.00 175.35 176.64 1fi8 s ALA 132 N -0.44 3.05 0.34 3.13 0.00 -1.26 -5.03 121.76 121.55 1fi8 s ALA 132 Ca 0.05 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 1fi8 s ALA 132 Cb -0.12 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1fi8 s ALA 132 CO 0.02 -0.41 0.75 -1.21 0.00 0.00 0.00 175.76 174.91 1fi8 s GLU 133 N -2.56 3.97 0.11 0.00 2.02 -1.26 -5.01 118.70 115.97 1fi8 s GLU 133 Ca 0.60 0.65 -0.28 0.00 0.02 0.00 0.00 54.97 55.96 1fi8 s GLU 133 Cb -0.25 -2.41 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 1fi8 s GLU 133 CO 0.31 0.12 1.62 1.05 0.02 0.00 0.00 175.26 178.38 1fi8 h GLU 134 N 2.08 -0.54 -6.86 1.61 -0.00 -2.09 -3.44 114.58 105.35 1fi8 h GLU 134 Ca -0.48 0.04 -0.57 0.00 -0.00 0.00 0.00 59.36 58.35 1fi8 h GLU 134 Cb 1.18 0.12 0.15 0.00 -0.00 0.00 0.00 28.75 30.20 1fi8 h GLU 134 CO 0.65 -0.36 0.24 0.36 -0.00 0.00 0.00 179.01 179.90 1fi8 n LYS 135 N -5.41 1.12 -3.52 1.06 2.85 -1.26 -5.02 118.16 107.98 1fi8 n LYS 135 Ca -0.07 0.42 -0.28 0.00 -1.05 0.00 0.00 58.31 57.33 1fi8 n LYS 135 Cb 0.32 -2.24 -0.14 0.00 -0.65 0.00 0.00 35.03 32.32 1fi8 n LYS 135 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1fi8 s ILE 136 N -1.43 -0.05 0.67 0.58 1.01 -1.26 -5.15 121.20 115.57 1fi8 s ILE 136 Ca 0.74 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 1fi8 s ILE 136 Cb -0.43 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.09 1fi8 s ILE 136 CO 0.48 -0.77 0.97 -1.81 0.00 0.00 0.00 174.94 173.82 1fi8 s ASP 137 N 1.91 4.90 0.22 3.58 1.01 -1.26 -5.10 116.67 121.92 1fi8 s ASP 137 Ca 0.11 0.36 0.07 0.00 0.71 0.00 0.00 52.55 53.79 1fi8 s ASP 137 Cb -0.17 -1.05 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 1fi8 s ASP 137 CO -0.29 -1.51 0.14 0.20 0.21 0.00 0.00 175.17 173.92 1fi8 s ASN 138 N -4.50 5.36 0.41 0.27 0.01 -1.26 -5.12 114.94 110.11 1fi8 s ASN 138 Ca 0.60 -0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 52.40 1fi8 s ASN 138 Cb -0.11 -1.33 -0.06 0.00 0.41 0.00 0.00 41.25 40.17 1fi8 s ASN 138 CO 0.43 0.01 0.75 0.00 -1.51 0.00 0.00 177.10 176.79 1fi8 s ALA 139 N -1.98 3.39 -0.10 0.60 0.00 -1.26 -5.07 121.76 117.34 1fi8 s ALA 139 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 1fi8 s ALA 139 Cb -0.09 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1fi8 s ALA 139 CO 0.23 -0.04 0.06 0.08 0.00 0.00 0.00 175.76 176.10 1fi8 s VAL 140 N -2.40 4.84 -0.30 0.00 1.01 -1.26 -5.07 120.40 117.22 1fi8 s VAL 140 Ca 0.50 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1fi8 s VAL 140 Cb -0.10 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1fi8 s VAL 140 CO 0.33 0.60 0.90 -0.69 0.00 0.00 0.00 175.10 176.25 1fi8 s VAL 141 N -0.96 4.69 0.00 2.92 1.01 -1.26 -5.37 120.40 121.43 1fi8 s VAL 141 Ca 0.14 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1fi8 s VAL 141 Cb -0.12 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1fi8 s VAL 141 CO 0.04 -0.31 0.00 -2.11 0.00 0.00 0.00 175.10 172.71