#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krl n GLU 102 N 0.00 0.00 -4.40 1.61 4.07 -1.26 -4.64 120.64 116.02 1krl n GLU 102 Ca 0.00 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.85 1krl n GLU 102 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 1krl n GLU 102 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1krl s TRP 103 N 0.00 1.42 0.02 4.31 0.52 -1.26 0.41 118.94 124.36 1krl s TRP 103 Ca 0.00 -0.56 -0.11 0.00 0.02 0.00 0.00 56.10 55.44 1krl s TRP 103 Cb 0.00 -1.08 0.01 0.00 -1.15 0.00 0.00 33.47 31.25 1krl s TRP 103 CO 0.00 -0.33 0.24 -1.83 0.02 0.00 0.00 176.95 175.05 1krl s GLU 104 N 0.92 0.67 -0.05 4.98 -1.05 -0.13 -4.97 118.70 119.06 1krl s GLU 104 Ca -0.10 -0.45 -0.21 0.00 -0.15 0.00 0.00 54.97 54.05 1krl s GLU 104 Cb -0.15 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1krl s GLU 104 CO 0.01 -0.19 0.62 0.42 0.95 0.00 0.00 175.26 177.06 1krl s ILE 105 N -2.04 5.02 0.37 1.83 -1.09 -1.26 -0.26 121.20 123.77 1krl s ILE 105 Ca -0.09 1.28 0.08 0.00 -2.23 0.00 0.00 60.65 59.69 1krl s ILE 105 Cb -0.03 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1krl s ILE 105 CO -0.01 0.33 0.09 0.27 -1.23 0.00 0.00 174.94 174.39 1krl s ILE 106 N 0.40 2.56 1.03 2.92 -4.36 -0.36 -4.93 121.20 118.46 1krl s ILE 106 Ca 0.33 -1.83 -0.16 0.00 -0.26 0.00 0.00 60.65 58.73 1krl s ILE 106 Cb -0.17 -2.91 0.22 0.00 1.25 0.00 0.00 42.46 40.84 1krl s ILE 106 CO 0.16 -0.12 1.21 1.51 0.24 0.00 0.00 174.94 177.95 1krl s ASP 107 N -3.80 2.47 -0.36 4.36 1.47 -1.26 -4.26 116.67 115.28 1krl s ASP 107 Ca 0.37 0.53 0.06 0.00 1.18 0.00 0.00 52.55 54.70 1krl s ASP 107 Cb 0.01 -0.75 0.48 0.00 -0.34 0.00 0.00 42.92 42.32 1krl s ASP 107 CO 0.21 -3.16 1.47 2.30 0.68 0.00 0.00 175.17 176.67 1krl n ILE 108 N -4.10 2.75 -0.93 2.11 -5.35 -1.26 -4.71 119.36 107.87 1krl n ILE 108 Ca 0.13 -3.35 -0.15 0.00 -0.27 0.00 0.00 62.75 59.10 1krl n ILE 108 Cb 0.59 -0.79 0.12 0.00 -1.74 0.00 0.00 39.64 37.83 1krl n ILE 108 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1krl n GLY 109 N -0.93 -2.31 0.35 3.28 0.00 -1.26 -4.44 105.19 99.87 1krl n GLY 109 Ca 0.43 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 45.01 1krl n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1krl h PRO 110 N 0.00 0.00 -0.42 1.61 0.11 -1.98 -0.13 132.00 131.19 1krl h PRO 110 Ca -0.21 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.98 1krl h PRO 110 Cb 0.62 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.66 1krl h PRO 110 CO 0.14 0.00 0.02 0.35 -0.21 0.00 0.00 178.00 178.30 1krl h PHE 111 N 0.01 0.01 -0.47 0.65 3.57 -1.96 0.95 116.94 119.69 1krl h PHE 111 Ca 0.50 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.91 1krl h PHE 111 Cb 0.86 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1krl h PHE 111 CO -0.67 -0.07 -0.20 1.15 -2.23 0.00 0.00 178.31 176.29 1krl h THR 112 N 0.13 1.27 -0.86 4.41 2.02 -1.36 -2.24 112.91 116.27 1krl h THR 112 Ca 0.21 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 1krl h THR 112 Cb 0.29 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1krl h THR 112 CO -0.33 0.47 0.53 1.56 0.37 0.00 0.00 175.52 178.12 1krl h GLN 113 N 0.83 1.16 0.00 6.66 1.08 -0.43 -1.14 115.11 123.27 1krl h GLN 113 Ca 0.11 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 1krl h GLN 113 Cb 0.77 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1krl h GLN 113 CO 0.06 0.81 -0.41 -0.91 -0.95 0.00 0.00 178.83 177.43 1krl h ASN 114 N 1.18 0.00 -0.62 1.46 2.35 -0.72 0.10 115.58 119.34 1krl h ASN 114 Ca 0.31 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 1krl h ASN 114 Cb -0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1krl h ASN 114 CO -0.06 0.41 0.02 -0.07 -1.65 0.00 0.00 177.43 176.08 1krl h LEU 115 N 0.00 1.05 -0.62 1.61 3.38 -0.67 -0.57 115.31 119.49 1krl h LEU 115 Ca -0.00 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1krl h LEU 115 Cb 0.78 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1krl h LEU 115 CO 0.05 1.09 0.18 1.23 0.09 0.00 0.00 178.44 181.08 1krl h GLY 116 N 0.98 1.05 1.01 0.83 0.00 -0.06 -0.70 103.07 106.19 1krl h GLY 116 Ca 0.18 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1krl h GLY 116 CO 0.03 0.59 0.37 1.70 0.00 0.00 0.00 176.54 179.23 1krl h LYS 117 N 0.89 1.03 -0.44 4.80 3.11 -0.73 -1.23 116.57 124.00 1krl h LYS 117 Ca 0.20 -0.14 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1krl h LYS 117 Cb 0.32 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 1krl h LYS 117 CO -0.00 0.79 0.20 0.35 -2.81 0.00 0.00 179.45 177.98 1krl h PHE 118 N 1.01 0.64 -0.51 1.91 3.57 -0.77 -0.61 116.94 122.18 1krl h PHE 118 Ca 0.25 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1krl h PHE 118 Cb 0.09 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1krl h PHE 118 CO 0.00 0.53 0.33 0.00 -2.23 0.00 0.00 178.31 176.95 1krl h ALA 119 N 1.05 0.65 -0.49 2.41 0.00 -0.60 -0.84 119.26 121.44 1krl h ALA 119 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1krl h ALA 119 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1krl h ALA 119 CO -0.02 0.08 -0.16 0.28 0.00 0.00 0.00 179.25 179.43 1krl h VAL 120 N 0.68 1.27 -0.58 0.00 2.07 -1.00 -0.04 116.25 118.65 1krl h VAL 120 Ca 0.19 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1krl h VAL 120 Cb -0.06 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1krl h VAL 120 CO -0.05 0.46 0.22 0.44 0.02 0.00 0.00 177.57 178.65 1krl h ASP 121 N 0.84 0.81 -0.34 0.57 3.32 -0.86 0.12 116.42 120.87 1krl h ASP 121 Ca 0.12 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1krl h ASP 121 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1krl h ASP 121 CO 0.06 0.77 0.01 -0.33 -1.72 0.00 0.00 179.24 178.02 1krl h GLU 122 N 0.80 0.60 -0.38 3.56 4.39 -0.98 -2.84 114.58 119.74 1krl h GLU 122 Ca 0.19 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1krl h GLU 122 Cb 0.22 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1krl h GLU 122 CO -0.01 0.72 0.03 1.49 -1.16 0.00 0.00 179.01 180.08 1krl h GLU 123 N 0.41 0.58 -0.00 2.33 4.57 -0.73 -2.08 114.58 119.66 1krl h GLU 123 Ca 0.10 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1krl h GLU 123 Cb 0.44 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1krl h GLU 123 CO 0.02 0.58 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.29 1krl h ASN 124 N 0.56 0.01 -0.16 1.04 2.35 -0.57 0.10 115.58 118.90 1krl h ASN 124 Ca 0.12 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 1krl h ASN 124 Cb 0.31 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1krl h ASN 124 CO 0.01 0.23 -0.51 0.11 -1.65 0.00 0.00 177.43 175.62 1krl h LYS 125 N 0.01 0.74 -0.18 0.81 1.57 -1.15 -3.20 116.57 115.16 1krl h LYS 125 Ca -0.00 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 1krl h LYS 125 Cb 0.39 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1krl h LYS 125 CO 0.03 1.07 -0.13 0.82 -0.57 0.00 0.00 179.45 180.67 1krl h ILE 126 N 0.58 1.32 0.00 1.86 2.04 -1.16 -3.48 117.51 118.67 1krl h ILE 126 Ca 0.02 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1krl h ILE 126 Cb 1.08 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1krl h ILE 126 CO 0.11 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.24 1krl n GLY 127 N 0.09 0.81 0.36 5.37 0.00 -0.04 -4.94 105.19 106.84 1krl n GLY 127 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.14 1krl n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1krl h GLN 128 N 3.33 0.00 -0.12 1.61 4.15 -1.91 -1.75 115.11 120.42 1krl h GLN 128 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1krl h GLN 128 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1krl h GLN 128 CO 0.00 0.00 -0.19 0.66 -1.93 0.00 0.00 178.83 177.37 1krl n TYR 129 N -4.30 0.38 -4.47 3.99 4.01 -1.26 -5.10 117.16 110.41 1krl n TYR 129 Ca 0.06 -1.29 0.00 0.00 -0.16 0.00 0.00 57.90 56.51 1krl n TYR 129 Cb 0.48 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1krl n TYR 129 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1krl n GLY 130 N -1.13 -0.14 3.64 2.72 0.00 -0.66 -4.60 105.19 105.01 1krl n GLY 130 Ca 0.22 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1krl n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1krl s ARG 131 N 0.00 4.15 -0.01 1.61 1.81 -1.26 -4.70 118.95 120.56 1krl s ARG 131 Ca 0.00 0.66 0.03 0.00 -1.72 0.00 0.00 55.73 54.70 1krl s ARG 131 Cb 0.00 -3.63 -0.03 0.00 -0.45 0.00 0.00 34.95 30.83 1krl s ARG 131 CO 0.00 -0.40 -0.07 -0.51 -0.68 0.00 0.00 175.30 173.65 1krl s LEU 132 N 2.45 3.18 -0.23 2.53 1.43 -1.26 -5.10 118.68 121.68 1krl s LEU 132 Ca 0.29 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1krl s LEU 132 Cb -0.16 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1krl s LEU 132 CO 0.09 0.30 -0.09 0.42 0.23 0.00 0.00 176.35 177.30 1krl s THR 133 N -0.96 2.80 0.12 5.49 -4.23 -1.26 -5.00 115.64 112.60 1krl s THR 133 Ca 0.16 -0.91 -0.35 0.00 -1.18 0.00 0.00 61.69 59.42 1krl s THR 133 Cb -0.11 -2.35 -0.15 0.00 1.34 0.00 0.00 72.50 71.23 1krl s THR 133 CO 0.06 0.31 1.53 0.33 -0.54 0.00 0.00 174.62 176.31 1krl n PHE 134 N 4.68 2.06 -0.03 3.99 -0.00 -1.26 -4.92 117.46 121.98 1krl n PHE 134 Ca -0.18 0.36 -0.04 0.00 -0.00 0.00 0.00 57.45 57.59 1krl n PHE 134 Cb 0.48 -2.49 -0.01 0.00 -0.00 0.00 0.00 39.48 37.46 1krl n PHE 134 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1krl n ASN 135 N 3.35 1.10 -3.61 -2.13 5.03 -1.26 -5.13 115.26 112.61 1krl n ASN 135 Ca 0.18 0.18 -0.01 0.00 0.87 0.00 0.00 54.58 55.80 1krl n ASN 135 Cb 0.26 -0.53 -0.01 0.00 -1.02 0.00 0.00 39.78 38.48 1krl n ASN 135 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1krl s LYS 136 N -2.06 0.22 -0.11 3.52 -2.85 -1.26 -5.14 119.74 112.06 1krl s LYS 136 Ca -0.13 -0.10 -0.04 0.00 -1.00 0.00 0.00 55.97 54.69 1krl s LYS 136 Cb 0.02 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 1krl s LYS 136 CO 0.20 -0.10 0.05 0.08 0.10 0.00 0.00 175.35 175.67 1krl s VAL 137 N -2.27 4.68 0.38 1.79 1.01 -1.26 -5.10 120.40 119.64 1krl s VAL 137 Ca 0.12 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1krl s VAL 137 Cb 0.02 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 1krl s VAL 137 CO -0.04 0.59 -0.02 0.27 0.00 0.00 0.00 175.10 175.89 1krl s ILE 138 N -0.72 2.05 0.51 2.22 -4.36 -1.26 -4.97 121.20 114.67 1krl s ILE 138 Ca 0.12 -2.07 -0.19 0.00 -0.26 0.00 0.00 60.65 58.25 1krl s ILE 138 Cb -0.12 -2.87 -0.07 0.00 1.25 0.00 0.00 42.46 40.65 1krl s ILE 138 CO 0.02 -0.07 1.03 -0.13 0.24 0.00 0.00 174.94 176.03 1krl s ARG 139 N -3.68 3.73 0.30 0.37 0.52 -1.26 -4.40 118.95 114.52 1krl s ARG 139 Ca 0.34 1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 56.77 1krl s ARG 139 Cb 0.07 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1krl s ARG 139 CO 0.17 -0.47 0.53 -1.25 0.02 0.00 0.00 175.30 174.30 1krl s PRO 140 N -3.56 3.56 -0.12 3.54 0.04 -1.26 -5.18 135.00 132.03 1krl s PRO 140 Ca 0.65 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.56 1krl s PRO 140 Cb -0.15 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1krl s PRO 140 CO 0.25 0.21 -0.21 0.00 0.04 0.00 0.00 177.00 177.29 1krl s MET 142 N 0.70 2.82 -0.15 0.00 -1.94 -1.26 -1.22 119.30 118.25 1krl s MET 142 Ca -0.11 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 1krl s MET 142 Cb -0.16 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.00 1krl s MET 142 CO 0.01 0.63 -0.15 0.21 -0.01 0.00 0.00 175.02 175.71 1krl s LYS 143 N -1.61 2.37 -0.14 2.03 2.20 0.64 -4.92 119.74 120.30 1krl s LYS 143 Ca 0.20 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1krl s LYS 143 Cb -0.12 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1krl s LYS 143 CO 0.11 -0.20 0.03 0.21 -0.36 0.00 0.00 175.35 175.13 1krl s LYS 144 N 1.38 3.60 -0.18 4.03 2.20 -1.25 -0.96 119.74 128.55 1krl s LYS 144 Ca 0.03 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.12 1krl s LYS 144 Cb -0.13 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1krl s LYS 144 CO -0.09 0.42 0.30 0.99 -0.36 0.00 0.00 175.35 176.61 1krl s THR 145 N -0.08 5.28 -0.19 3.43 2.01 0.17 -4.98 115.64 121.28 1krl s THR 145 Ca 0.05 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.51 1krl s THR 145 Cb -0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1krl s THR 145 CO 0.02 0.34 0.09 -0.63 -0.69 0.00 0.00 174.62 173.75 1krl s ILE 146 N 0.80 5.05 0.57 1.82 -1.09 -1.26 -4.71 121.20 122.38 1krl s ILE 146 Ca 0.16 0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 1krl s ILE 146 Cb -0.13 -3.29 0.06 0.00 -1.58 0.00 0.00 42.46 37.52 1krl s ILE 146 CO 0.05 0.46 0.54 -0.31 -1.23 0.00 0.00 174.94 174.45 1krl s TYR 147 N 0.33 1.40 0.00 3.97 1.51 -1.26 -5.18 117.35 118.11 1krl s TYR 147 Ca 0.05 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1krl s TYR 147 Cb -0.12 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1krl s TYR 147 CO -0.01 -0.76 0.00 0.39 -1.11 0.00 0.00 175.55 174.06