#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqc n LEU 88 N 0.00 0.00 0.29 -0.35 4.77 -1.26 -0.75 117.00 119.70 3kqc n LEU 88 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3kqc n LEU 88 Cb 0.00 0.00 0.94 0.00 -2.33 0.00 0.00 43.42 42.03 3kqc n LEU 88 CO 0.00 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.13 3kqc h SER 90 N 0.00 0.00 -3.04 0.00 0.02 -1.31 -3.01 113.55 106.21 3kqc h SER 90 Ca 0.00 -0.04 -0.72 0.00 -0.84 0.00 0.00 61.79 60.19 3kqc h SER 90 Cb 0.22 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.54 3kqc h SER 90 CO 0.00 0.02 -0.04 -0.22 -1.14 0.00 0.00 176.83 175.45 3kqc s LEU 91 N -5.07 5.61 -1.49 5.07 2.96 -0.75 -4.55 118.68 120.46 3kqc s LEU 91 Ca 0.08 -1.47 -0.02 0.00 -0.22 0.00 0.00 54.13 52.50 3kqc s LEU 91 Cb 0.10 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.53 3kqc s LEU 91 CO 0.66 -0.96 0.27 -0.67 -1.32 0.00 0.00 176.35 174.32 3kqc n ASP 92 N 5.87 0.03 -2.14 3.68 4.64 -1.26 -0.61 116.55 126.75 3kqc n ASP 92 Ca -0.11 -1.13 -0.16 0.00 -1.38 0.00 0.00 54.79 52.02 3kqc n ASP 92 Cb 0.42 -2.39 -0.02 0.00 -1.04 0.00 0.00 41.12 38.08 3kqc n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3kqc n ASN 93 N -2.92 -4.50 -1.27 1.67 5.15 -1.14 -0.96 115.26 111.30 3kqc n ASN 93 Ca -0.29 0.19 -0.16 0.00 -0.60 0.00 0.00 54.58 53.73 3kqc n ASN 93 Cb 0.68 -3.87 -0.06 0.00 -0.53 0.00 0.00 39.78 35.99 3kqc n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kqc n GLY 94 N -0.71 1.46 2.45 8.20 0.00 0.22 -1.67 105.19 115.14 3kqc n GLY 94 Ca -0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 3kqc n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqc n ASP 95 N -0.62 -4.74 -4.82 1.61 4.64 -0.13 -4.98 116.55 107.51 3kqc n ASP 95 Ca -0.16 0.29 -0.33 0.00 -1.38 0.00 0.00 54.79 53.21 3kqc n ASP 95 Cb 0.53 -3.26 -0.05 0.00 -1.04 0.00 0.00 41.12 37.30 3kqc n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kqc h ASP 97 N 1.38 0.88 0.00 0.00 3.45 -1.61 -3.47 116.42 117.05 3kqc h ASP 97 Ca -0.48 -0.64 0.00 0.00 0.43 0.00 0.00 57.03 56.34 3kqc h ASP 97 Cb 1.19 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 3kqc h ASP 97 CO 0.61 1.38 0.00 0.00 -1.57 0.00 0.00 179.24 179.66 3kqc n GLN 98 N -4.00 0.00 -2.11 3.56 6.02 -1.26 -5.02 117.38 114.57 3kqc n GLN 98 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 3kqc n GLN 98 Cb 0.72 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.95 3kqc n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kqc s PHE 99 N 2.44 3.20 -0.13 1.08 0.08 -0.69 -4.90 117.98 119.05 3kqc s PHE 99 Ca 0.00 0.89 0.01 0.00 0.12 0.00 0.00 56.93 57.96 3kqc s PHE 99 Cb 0.00 -3.74 -0.00 0.00 -0.57 0.00 0.00 43.02 38.71 3kqc s PHE 99 CO 0.00 -2.60 -0.18 0.00 -0.10 0.00 0.00 175.22 172.34 3kqc s HIS 101 N 0.57 1.81 -0.18 0.00 3.76 0.44 -4.99 115.29 116.70 3kqc s HIS 101 Ca -0.11 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.31 3kqc s HIS 101 Cb -0.16 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.63 3kqc s HIS 101 CO 0.04 0.34 -0.10 -1.21 -0.85 0.00 0.00 174.74 172.95 3kqc s GLU 102 N -2.90 3.33 -0.06 1.40 2.02 -1.26 -0.24 118.70 120.99 3kqc s GLU 102 Ca 0.17 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3kqc s GLU 102 Cb -0.05 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3kqc s GLU 102 CO 0.07 -0.03 -0.06 -1.21 0.02 0.00 0.00 175.26 174.05 3kqc s GLU 103 N 0.99 1.07 -1.43 1.61 2.02 -0.20 -4.88 118.70 117.87 3kqc s GLU 103 Ca -0.01 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 3kqc s GLU 103 Cb -0.15 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.00 3kqc s GLU 103 CO -0.01 -0.13 0.41 1.04 0.02 0.00 0.00 175.26 176.58 3kqc n GLN 104 N 4.35 -3.13 -3.27 1.61 6.02 -1.26 -1.03 117.38 120.67 3kqc n GLN 104 Ca -0.19 0.38 -0.23 0.00 -0.01 0.00 0.00 57.00 56.94 3kqc n GLN 104 Cb 0.51 -4.49 0.02 0.00 1.02 0.00 0.00 30.24 27.29 3kqc n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kqc n ASN 105 N -2.96 -4.94 -4.01 1.08 5.15 -1.26 -5.00 115.26 103.31 3kqc n ASN 105 Ca -0.29 -0.38 -0.12 0.00 -0.60 0.00 0.00 54.58 53.18 3kqc n ASN 105 Cb 0.68 -4.02 -0.12 0.00 -0.53 0.00 0.00 39.78 35.79 3kqc n ASN 105 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kqc s SER 106 N -2.78 0.61 0.03 1.20 0.15 -0.19 -5.05 113.70 107.66 3kqc s SER 106 Ca 0.39 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 3kqc s SER 106 Cb -0.19 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 3kqc s SER 106 CO 0.48 -0.18 1.14 -0.69 1.20 0.00 0.00 173.24 175.19 3kqc s VAL 107 N -1.13 4.29 -0.17 4.45 1.01 -1.26 -1.03 120.40 126.56 3kqc s VAL 107 Ca -0.09 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3kqc s VAL 107 Cb -0.08 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.28 3kqc s VAL 107 CO -0.00 0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.43 3kqc s VAL 108 N 1.15 1.46 0.13 2.92 1.01 0.66 -4.93 120.40 122.80 3kqc s VAL 108 Ca 0.57 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3kqc s VAL 108 Cb -0.27 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 3kqc s VAL 108 CO 0.28 0.26 0.45 0.00 0.00 0.00 0.00 175.10 176.09 3kqc s SER 110 N -2.01 0.11 0.24 0.00 1.04 -0.24 -4.94 113.70 107.90 3kqc s SER 110 Ca 0.38 -1.03 0.08 0.00 0.48 0.00 0.00 55.95 55.86 3kqc s SER 110 Cb -0.13 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 3kqc s SER 110 CO 0.20 -0.87 -0.13 0.00 0.98 0.00 0.00 173.24 173.42 3kqc s ALA 112 N -2.88 2.17 0.30 0.00 0.00 -1.26 -4.94 121.76 115.15 3kqc s ALA 112 Ca 0.26 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3kqc s ALA 112 Cb -0.00 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 3kqc s ALA 112 CO 0.10 -1.95 1.46 1.03 0.00 0.00 0.00 175.76 176.40 3kqc s ARG 113 N -5.35 4.21 0.00 0.00 0.52 -1.26 -2.52 118.95 114.54 3kqc s ARG 113 Ca 0.62 2.41 0.00 0.00 -0.52 0.00 0.00 55.73 58.25 3kqc s ARG 113 Cb -0.13 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3kqc s ARG 113 CO 0.52 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.80 3kqc n GLY 114 N 1.53 0.59 3.21 -3.53 0.00 -1.26 -4.65 105.19 101.09 3kqc n GLY 114 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3kqc n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqc s TYR 115 N -2.11 1.54 -0.05 1.61 2.02 -1.05 -0.95 117.35 118.36 3kqc s TYR 115 Ca 0.00 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 3kqc s TYR 115 Cb 0.00 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 3kqc s TYR 115 CO 0.00 0.10 -0.19 0.95 -1.57 0.00 0.00 175.55 174.84 3kqc s THR 116 N -0.97 2.66 0.25 -0.71 -4.23 0.82 -4.75 115.64 108.72 3kqc s THR 116 Ca 0.04 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 3kqc s THR 116 Cb -0.09 -2.01 -0.10 0.00 1.34 0.00 0.00 72.50 71.64 3kqc s THR 116 CO 0.02 0.58 1.41 -0.22 -0.54 0.00 0.00 174.62 175.88 3kqc s LEU 117 N -0.53 4.39 0.92 4.79 2.96 -1.26 -0.49 118.68 129.45 3kqc s LEU 117 Ca 0.07 2.65 -0.12 0.00 -0.22 0.00 0.00 54.13 56.51 3kqc s LEU 117 Cb -0.11 -3.63 0.14 0.00 0.50 0.00 0.00 46.19 43.09 3kqc s LEU 117 CO 0.01 -0.67 1.11 0.00 -1.32 0.00 0.00 176.35 175.48 3kqc s ALA 118 N -0.13 1.56 0.37 5.97 0.00 0.40 -4.87 121.76 125.04 3kqc s ALA 118 Ca 0.58 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.28 3kqc s ALA 118 Cb -0.41 -3.10 0.77 0.00 0.00 0.00 0.00 23.12 20.38 3kqc s ALA 118 CO 0.44 -2.37 1.94 -0.44 0.00 0.00 0.00 175.76 175.33 3kqc h ASP 119 N -1.56 0.64 0.17 0.00 3.32 -1.94 0.81 116.42 117.87 3kqc h ASP 119 Ca -0.51 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3kqc h ASP 119 Cb 1.31 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3kqc h ASP 119 CO 0.59 0.40 0.00 -0.46 -1.72 0.00 0.00 179.24 178.05 3kqc n ASN 120 N -4.49 0.00 -1.59 6.45 0.23 -1.26 -4.86 115.26 109.74 3kqc n ASN 120 Ca 0.12 -0.15 -0.18 0.00 -0.53 0.00 0.00 54.58 53.84 3kqc n ASN 120 Cb 0.28 -0.18 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 3kqc n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqc n GLY 121 N -0.01 1.25 1.36 4.83 0.00 0.28 -4.81 105.19 108.09 3kqc n GLY 121 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kqc n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqc n LYS 122 N -2.54 0.00 -1.77 1.61 5.02 -1.26 -4.27 118.16 114.95 3kqc n LYS 122 Ca -0.19 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 3kqc n LYS 122 Cb 0.62 -0.32 0.03 0.00 -0.02 0.00 0.00 35.03 35.34 3kqc n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqc s ALA 123 N -2.00 2.78 -0.19 7.82 0.00 -1.26 -1.56 121.76 127.35 3kqc s ALA 123 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3kqc s ALA 123 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 3kqc s ALA 123 CO 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 175.76 174.58 3kqc s ILE 125 N 1.28 4.91 0.21 0.00 -1.09 0.36 -4.88 121.20 121.99 3kqc s ILE 125 Ca 0.04 0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 58.17 3kqc s ILE 125 Cb -0.14 -3.25 -0.10 0.00 -1.58 0.00 0.00 42.46 37.39 3kqc s ILE 125 CO -0.12 0.41 1.54 -2.84 -1.23 0.00 0.00 174.94 172.70 3kqc s PRO 126 N 0.73 4.21 0.32 2.79 0.02 -1.26 -0.13 135.00 141.68 3kqc s PRO 126 Ca 0.05 2.39 0.16 0.00 0.02 0.00 0.00 61.00 63.62 3kqc s PRO 126 Cb -0.13 -3.12 0.41 0.00 0.02 0.00 0.00 34.50 31.68 3kqc s PRO 126 CO 0.02 -0.56 1.60 1.79 -0.33 0.00 0.00 177.00 179.52 3kqc h THR 127 N 3.77 0.97 -2.13 0.99 1.35 -1.39 -3.46 112.91 113.01 3kqc h THR 127 Ca -0.44 -1.92 -0.01 0.00 -0.55 0.00 0.00 66.41 63.49 3kqc h THR 127 Cb 1.21 2.17 -0.00 0.00 -1.73 0.00 0.00 68.15 69.79 3kqc h THR 127 CO 0.86 0.47 0.01 0.61 -0.25 0.00 0.00 175.52 177.21 3kqc n GLY 128 N 0.63 2.40 3.80 5.82 0.00 -1.26 -5.10 105.19 111.49 3kqc n GLY 128 Ca 0.00 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 3kqc n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqc s PRO 129 N -2.04 2.75 -1.28 1.61 0.04 -1.26 -4.14 135.00 130.68 3kqc s PRO 129 Ca 0.02 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 3kqc s PRO 129 Cb -0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 3kqc s PRO 129 CO 0.01 -1.25 0.70 0.66 0.04 0.00 0.00 177.00 177.16 3kqc n TYR 130 N -3.22 -1.92 -1.36 0.56 4.01 -1.26 -4.98 117.16 108.98 3kqc n TYR 130 Ca 0.08 0.79 -0.34 0.00 -0.16 0.00 0.00 57.90 58.27 3kqc n TYR 130 Cb 0.53 -4.21 0.10 0.00 -0.31 0.00 0.00 39.34 35.45 3kqc n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3kqc s PRO 131 N -5.93 2.07 0.59 -0.72 0.04 -1.26 -4.93 135.00 124.85 3kqc s PRO 131 Ca 0.09 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 3kqc s PRO 131 Cb -0.02 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 3kqc s PRO 131 CO 0.82 -1.87 1.31 0.00 0.04 0.00 0.00 177.00 177.30 3kqc n GLY 133 N 0.75 0.48 3.64 0.00 0.00 -1.26 -5.01 105.19 103.80 3kqc n GLY 133 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3kqc n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqc s LYS 134 N -0.43 4.01 0.57 1.61 -0.14 -1.21 -5.08 119.74 119.07 3kqc s LYS 134 Ca 0.00 -0.31 -0.19 0.00 -1.36 0.00 0.00 55.97 54.10 3kqc s LYS 134 Cb 0.00 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.77 3kqc s LYS 134 CO 0.00 0.20 1.19 -0.65 -0.76 0.00 0.00 175.35 175.33 3kqc s GLN 135 N 0.61 3.13 -0.97 1.68 -0.21 -1.26 -4.95 119.66 117.70 3kqc s GLN 135 Ca 0.05 1.79 -0.00 0.00 0.02 0.00 0.00 55.36 57.21 3kqc s GLN 135 Cb -0.13 -1.99 0.32 0.00 1.00 0.00 0.00 33.01 32.21 3kqc s GLN 135 CO 0.01 -1.07 1.72 0.25 -2.12 0.00 0.00 175.29 174.09 3kqc n THR 136 N -1.41 5.69 0.42 -0.19 -2.24 -1.26 -4.79 114.28 110.50 3kqc n THR 136 Ca 0.13 -5.90 0.13 0.00 -2.27 0.00 0.00 64.05 56.13 3kqc n THR 136 Cb 0.50 -1.52 0.35 0.00 -2.10 0.00 0.00 70.33 67.55 3kqc n THR 136 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kqc h LEU 137 N 4.03 0.00 -1.32 3.22 3.38 -2.06 -3.56 115.31 119.00 3kqc h LEU 137 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3kqc h LEU 137 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kqc h LEU 137 CO 1.14 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 179.05