#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9p s LYS 102 N 0.00 3.48 0.34 0.03 2.47 -1.26 -4.90 119.74 119.90 1t9p s LYS 102 Ca 0.00 -0.47 -0.26 0.00 -1.56 0.00 0.00 55.97 53.67 1t9p s LYS 102 Cb 0.00 -2.79 -0.09 0.00 -1.46 0.00 0.00 37.83 33.49 1t9p s LYS 102 CO 0.00 0.31 1.00 0.15 0.16 0.00 0.00 175.35 176.97 1t9p s LYS 103 N -3.92 4.48 0.04 4.03 1.02 -1.26 -4.62 119.74 119.50 1t9p s LYS 103 Ca 0.38 1.47 0.08 0.00 0.02 0.00 0.00 55.97 57.92 1t9p s LYS 103 Cb -0.10 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1t9p s LYS 103 CO 0.32 0.15 -0.24 0.71 -0.92 0.00 0.00 175.35 175.37 1t9p s TYR 104 N -1.53 2.40 0.04 3.18 1.51 -0.85 0.72 117.35 122.82 1t9p s TYR 104 Ca 0.51 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 56.28 1t9p s TYR 104 Cb -0.22 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1t9p s TYR 104 CO 0.28 0.15 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.62 1t9p s THR 105 N -0.82 2.85 -0.20 -0.71 -1.32 0.87 -0.55 115.64 115.75 1t9p s THR 105 Ca 0.12 -1.18 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 1t9p s THR 105 Cb -0.10 -2.21 -0.01 0.00 -1.51 0.00 0.00 72.50 68.67 1t9p s THR 105 CO 0.03 0.32 1.29 0.00 -2.21 0.00 0.00 174.62 174.05 1t9p n THR 107 N 5.62 0.36 0.05 0.00 -2.24 -0.30 -0.20 114.28 117.57 1t9p n THR 107 Ca 0.14 0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.79 1t9p n THR 107 Cb 0.45 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 1t9p n THR 107 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t9p h VAL 108 N 0.00 0.91 0.00 2.28 2.07 -1.91 -3.43 116.25 116.17 1t9p h VAL 108 Ca 0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1t9p h VAL 108 Cb 0.36 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1t9p h VAL 108 CO 0.00 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.42 1t9p n GLY 110 N 0.43 0.72 3.57 0.00 0.00 0.71 -5.01 105.19 105.61 1t9p n GLY 110 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1t9p n GLY 110 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1t9p n TYR 111 N -2.00 1.14 -3.80 1.61 9.36 -1.26 -4.52 117.16 117.69 1t9p n TYR 111 Ca 0.00 0.72 -0.36 0.00 3.32 0.00 0.00 57.90 61.57 1t9p n TYR 111 Cb 0.00 -2.24 -0.13 0.00 -0.63 0.00 0.00 39.34 36.34 1t9p n TYR 111 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1t9p s ILE 112 N -0.68 3.89 -0.24 2.97 1.01 -1.26 -0.02 121.20 126.87 1t9p s ILE 112 Ca 0.65 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 1t9p s ILE 112 Cb -0.78 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1t9p s ILE 112 CO 0.56 0.26 1.07 -0.47 0.00 0.00 0.00 174.94 176.37 1t9p s TYR 113 N 1.53 3.25 -0.28 3.97 5.04 0.28 -4.96 117.35 126.19 1t9p s TYR 113 Ca 0.05 1.37 -0.03 0.00 -2.44 0.00 0.00 57.07 56.01 1t9p s TYR 113 Cb -0.16 -3.39 0.03 0.00 0.35 0.00 0.00 41.96 38.80 1t9p s TYR 113 CO 0.01 -0.66 -0.01 1.21 -1.34 0.00 0.00 175.55 174.76 1t9p s ASN 114 N 1.39 4.68 0.49 4.32 3.84 -1.26 -2.00 114.94 126.39 1t9p s ASN 114 Ca 0.45 -0.97 0.25 0.00 0.21 0.00 0.00 52.86 52.80 1t9p s ASN 114 Cb -0.15 -1.73 1.24 0.00 -0.55 0.00 0.00 41.25 40.06 1t9p s ASN 114 CO 0.09 -0.19 1.99 1.55 -2.79 0.00 0.00 177.10 177.75 1t9p h PRO 115 N 8.06 0.00 -0.76 0.43 0.13 -1.82 0.30 132.00 138.34 1t9p h PRO 115 Ca -0.29 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.98 1t9p h PRO 115 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1t9p h PRO 115 CO 0.57 0.17 0.50 0.93 -0.23 0.00 0.00 178.00 179.95 1t9p h GLU 116 N 0.00 0.48 0.00 0.86 5.08 -1.93 1.20 114.58 120.27 1t9p h GLU 116 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1t9p h GLU 116 Cb 0.46 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1t9p h GLU 116 CO 0.02 0.32 -2.09 -0.25 -1.00 0.00 0.00 179.01 176.01 1t9p n ASP 117 N -4.49 0.45 -0.24 1.42 8.00 0.78 -4.30 116.55 118.16 1t9p n ASP 117 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1t9p n ASP 117 Cb 0.48 1.43 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 1t9p n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t9p n GLY 118 N 1.62 0.05 2.29 0.44 0.00 0.27 -4.07 105.19 105.79 1t9p n GLY 118 Ca -0.17 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 1t9p n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t9p n ASP 119 N -2.44 0.05 -0.18 1.61 2.03 0.63 -4.65 116.55 113.60 1t9p n ASP 119 Ca 0.00 -2.59 0.01 0.00 0.52 0.00 0.00 54.79 52.73 1t9p n ASP 119 Cb 0.00 -0.61 0.27 0.00 -0.72 0.00 0.00 41.12 40.06 1t9p n ASP 119 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1t9p h PRO 120 N 4.69 0.91 0.00 -0.67 0.11 -1.62 -0.78 132.00 134.63 1t9p h PRO 120 Ca 0.16 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1t9p h PRO 120 Cb 0.88 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1t9p h PRO 120 CO 0.44 0.62 0.00 -0.44 -0.21 0.00 0.00 178.00 178.41 1t9p h ASP 121 N 0.93 0.00 -0.13 -2.05 3.32 -1.96 0.15 116.42 116.68 1t9p h ASP 121 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1t9p h ASP 121 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1t9p h ASP 121 CO -0.05 0.00 -0.03 0.59 -1.72 0.00 0.00 179.24 178.03 1t9p n ASN 122 N -2.81 2.98 0.00 6.45 3.02 -0.36 -4.96 115.26 119.59 1t9p n ASN 122 Ca -0.00 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 1t9p n ASN 122 Cb 0.19 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1t9p n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t9p n GLY 123 N -1.01 0.60 3.13 7.41 0.00 0.04 -5.01 105.19 110.35 1t9p n GLY 123 Ca 0.20 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1t9p n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t9p s VAL 124 N -2.00 2.90 0.44 1.61 1.01 -0.86 -4.96 120.40 118.53 1t9p s VAL 124 Ca 0.00 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.06 1t9p s VAL 124 Cb 0.00 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.47 1t9p s VAL 124 CO 0.00 -0.32 0.99 0.20 0.00 0.00 0.00 175.10 175.97 1t9p s ASN 125 N 1.34 6.72 0.15 3.32 -0.87 -1.26 -0.27 114.94 124.07 1t9p s ASN 125 Ca 0.00 1.81 -0.32 0.00 -1.57 0.00 0.00 52.86 52.78 1t9p s ASN 125 Cb -0.20 -2.55 -0.17 0.00 -0.02 0.00 0.00 41.25 38.30 1t9p s ASN 125 CO -0.03 -0.51 0.88 -2.65 -2.57 0.00 0.00 177.10 172.22 1t9p n PRO 126 N -0.66 0.44 -0.41 -0.60 -0.02 -1.26 -1.76 135.00 130.72 1t9p n PRO 126 Ca 0.07 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1t9p n PRO 126 Cb 0.53 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1t9p n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t9p n GLY 127 N 1.81 0.77 3.62 -1.23 0.00 0.41 -4.89 105.19 105.69 1t9p n GLY 127 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1t9p n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t9p s THR 128 N -2.24 4.98 0.47 2.61 2.01 -0.72 -5.00 115.64 117.74 1t9p s THR 128 Ca 0.00 1.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.88 1t9p s THR 128 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1t9p s THR 128 CO 0.00 0.01 1.16 -0.67 -0.69 0.00 0.00 174.62 174.43 1t9p n ASP 129 N 5.73 1.91 -0.32 3.53 2.03 -1.26 -4.53 116.55 123.65 1t9p n ASP 129 Ca -0.00 1.02 0.05 0.00 0.52 0.00 0.00 54.79 56.37 1t9p n ASP 129 Cb 0.49 -1.45 0.20 0.00 -0.72 0.00 0.00 41.12 39.64 1t9p n ASP 129 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1t9p h PHE 130 N 1.57 0.95 0.00 -0.67 3.57 -1.97 -0.88 116.94 119.51 1t9p h PHE 130 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1t9p h PHE 130 Cb 1.32 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1t9p h PHE 130 CO 0.44 0.36 0.00 1.57 -2.23 0.00 0.00 178.31 178.46 1t9p h LYS 131 N 0.84 0.00 -0.02 1.11 2.10 -1.98 -2.27 116.57 116.35 1t9p h LYS 131 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1t9p h LYS 131 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1t9p h LYS 131 CO -0.27 0.00 -0.20 -0.25 -2.00 0.00 0.00 179.45 176.73 1t9p n ASP 132 N -2.69 2.54 -4.75 7.07 8.00 -0.36 -4.92 116.55 121.44 1t9p n ASP 132 Ca -0.00 -1.77 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 1t9p n ASP 132 Cb 0.16 0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 1t9p n ASP 132 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1t9p s ILE 133 N -2.15 2.06 0.35 0.53 1.01 -0.86 -4.94 121.20 117.21 1t9p s ILE 133 Ca 0.23 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 1t9p s ILE 133 Cb 0.19 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.50 1t9p s ILE 133 CO 0.40 0.01 1.34 -2.65 0.00 0.00 0.00 174.94 174.05 1t9p n PRO 134 N 2.02 2.27 0.00 2.79 -0.02 -1.26 -4.85 135.00 135.95 1t9p n PRO 134 Ca 0.07 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.50 1t9p n PRO 134 Cb 0.38 -2.42 0.88 0.00 -0.02 0.00 0.00 33.50 32.32 1t9p n PRO 134 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1t9p n ASP 135 N 0.72 0.00 -0.89 2.55 8.00 -1.26 -1.10 116.55 124.57 1t9p n ASP 135 Ca 0.04 -0.72 0.12 0.00 0.71 0.00 0.00 54.79 54.93 1t9p n ASP 135 Cb 0.37 -0.09 0.27 0.00 -0.02 0.00 0.00 41.12 41.65 1t9p n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t9p n ASP 136 N -1.09 2.70 -4.76 -2.24 3.85 -1.26 -4.78 116.55 108.97 1t9p n ASP 136 Ca 0.21 -1.87 -0.39 0.00 -0.71 0.00 0.00 54.79 52.02 1t9p n ASP 136 Cb 0.15 -0.15 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 1t9p n ASP 136 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 1t9p s TRP 137 N -1.71 2.58 0.21 2.11 -0.00 -0.25 -5.05 118.94 116.84 1t9p s TRP 137 Ca 0.35 1.34 0.04 0.00 -0.00 0.00 0.00 56.10 57.82 1t9p s TRP 137 Cb 0.21 -3.80 -0.05 0.00 -0.00 0.00 0.00 33.47 29.83 1t9p s TRP 137 CO 0.30 -2.57 -0.02 0.14 -0.00 0.00 0.00 176.95 174.80 1t9p s VAL 138 N -1.25 1.03 0.06 5.86 -7.23 -1.26 -4.06 120.40 113.55 1t9p s VAL 138 Ca 0.61 -2.04 -0.36 0.00 -1.81 0.00 0.00 61.98 58.38 1t9p s VAL 138 Cb -0.41 -2.25 -0.15 0.00 0.56 0.00 0.00 36.38 34.13 1t9p s VAL 138 CO 0.52 -0.40 1.53 0.00 -0.31 0.00 0.00 175.10 176.43 1t9p h PRO 140 N 5.81 0.00 0.05 0.00 0.13 -1.96 -0.35 132.00 135.68 1t9p h PRO 140 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 1t9p h PRO 140 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1t9p h PRO 140 CO 0.85 0.02 -2.08 1.28 -0.23 0.00 0.00 178.00 177.85 1t9p n LEU 141 N -3.16 2.48 -0.04 1.56 4.77 -1.26 -4.72 117.00 116.63 1t9p n LEU 141 Ca -0.01 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.15 1t9p n LEU 141 Cb 0.21 -0.99 -0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1t9p n LEU 141 CO 0.25 0.72 0.13 0.00 -1.33 0.00 0.00 177.39 177.16 1t9p n GLY 143 N 0.62 0.76 3.74 0.00 0.00 -0.14 -4.97 105.19 105.19 1t9p n GLY 143 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1t9p n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t9p s ALA 144 N -2.72 3.55 1.10 4.61 0.00 -1.26 -4.45 121.76 122.59 1t9p s ALA 144 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1t9p s ALA 144 Cb 0.00 -3.50 0.25 0.00 0.00 0.00 0.00 23.12 19.87 1t9p s ALA 144 CO 0.00 -0.58 1.06 -2.14 0.00 0.00 0.00 175.76 174.09 1t9p s PRO 145 N -0.03 -0.43 0.54 0.00 0.02 -1.26 -0.40 135.00 133.45 1t9p s PRO 145 Ca 0.58 1.01 0.24 0.00 0.02 0.00 0.00 61.00 62.85 1t9p s PRO 145 Cb -0.38 -1.60 1.53 0.00 0.02 0.00 0.00 34.50 34.08 1t9p s PRO 145 CO 0.38 -3.44 2.17 0.87 -0.33 0.00 0.00 177.00 176.64 1t9p h LYS 146 N -2.43 0.00 0.00 5.54 1.57 -1.87 -1.23 116.57 118.16 1t9p h LYS 146 Ca -0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1t9p h LYS 146 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1t9p h LYS 146 CO 0.48 0.05 0.00 -0.40 -0.57 0.00 0.00 179.45 179.01 1t9p n ASP 147 N -4.02 0.00 -0.30 0.86 5.75 -1.26 -1.48 116.55 116.10 1t9p n ASP 147 Ca -0.03 0.32 0.14 0.00 -0.01 0.00 0.00 54.79 55.21 1t9p n ASP 147 Cb 0.13 -0.41 0.64 0.00 -1.03 0.00 0.00 41.12 40.45 1t9p n ASP 147 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t9p n GLN 148 N -1.41 1.34 -3.56 0.11 1.13 -0.46 -4.90 117.38 109.63 1t9p n GLN 148 Ca 0.05 -0.61 -0.28 0.00 -1.94 0.00 0.00 57.00 54.22 1t9p n GLN 148 Cb 0.15 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 1t9p n GLN 148 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1t9p s PHE 149 N -2.08 3.48 0.11 1.08 0.40 -0.55 -1.14 117.98 119.28 1t9p s PHE 149 Ca 0.39 0.48 -0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1t9p s PHE 149 Cb 0.21 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 1t9p s PHE 149 CO 0.37 0.31 0.18 -1.83 0.70 0.00 0.00 175.22 174.95 1t9p s GLU 150 N -3.32 0.92 0.36 0.44 -1.05 -0.27 -4.93 118.70 110.84 1t9p s GLU 150 Ca 0.41 -1.09 -0.27 0.00 -0.15 0.00 0.00 54.97 53.87 1t9p s GLU 150 Cb -0.11 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 1t9p s GLU 150 CO 0.29 -0.29 1.21 -1.83 0.95 0.00 0.00 175.26 175.58 1t9p s GLU 151 N -3.91 4.24 0.17 -4.83 1.03 -1.26 -0.09 118.70 114.04 1t9p s GLU 151 Ca 0.10 1.97 -0.28 0.00 0.03 0.00 0.00 54.97 56.80 1t9p s GLU 151 Cb 0.05 -2.89 -0.08 0.00 -0.80 0.00 0.00 34.13 30.41 1t9p s GLU 151 CO -0.07 -0.20 0.88 0.08 -1.33 0.00 0.00 175.26 174.62 1t9p s VAL 152 N -1.27 4.33 -1.39 1.83 1.01 0.22 -3.98 120.40 121.16 1t9p s VAL 152 Ca 0.52 1.92 -0.08 0.00 0.00 0.00 0.00 61.98 64.34 1t9p s VAL 152 Cb -0.34 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.82 1t9p s VAL 152 CO 0.44 0.45 1.02 1.21 0.00 0.00 0.00 175.10 178.22 1t9p n GLU 153 N 1.97 -6.49 0.00 2.72 2.13 -1.26 -4.70 120.64 115.01 1t9p n GLU 153 Ca -0.02 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1t9p n GLU 153 Cb 0.48 -5.64 0.00 0.00 0.27 0.00 0.00 31.44 26.55 1t9p n GLU 153 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87