#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqe n LEU 88 N 0.00 0.00 0.31 -0.35 4.77 -1.26 -1.32 117.00 119.15 3kqe n LEU 88 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3kqe n LEU 88 Cb 0.00 0.00 1.01 0.00 -2.33 0.00 0.00 43.42 42.10 3kqe n LEU 88 CO 0.00 0.00 1.12 0.00 -1.33 0.00 0.00 177.39 177.18 3kqe h SER 90 N 0.00 0.00 -3.06 0.00 0.02 -1.58 -2.71 113.55 106.22 3kqe h SER 90 Ca -0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 3kqe h SER 90 Cb 0.11 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.42 3kqe h SER 90 CO 0.00 0.00 -0.16 -0.22 -1.14 0.00 0.00 176.83 175.31 3kqe s LEU 91 N -4.95 6.03 -1.45 5.07 2.96 -0.76 -4.61 118.68 120.97 3kqe s LEU 91 Ca 0.09 -1.71 -0.01 0.00 -0.22 0.00 0.00 54.13 52.29 3kqe s LEU 91 Cb 0.10 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.57 3kqe s LEU 91 CO 0.60 -0.90 0.27 -0.67 -1.32 0.00 0.00 176.35 174.33 3kqe n ASP 92 N 5.45 0.09 -1.85 3.68 4.64 -1.26 -1.14 116.55 126.15 3kqe n ASP 92 Ca -0.13 -1.11 -0.18 0.00 -1.38 0.00 0.00 54.79 51.99 3kqe n ASP 92 Cb 0.41 -2.51 -0.05 0.00 -1.04 0.00 0.00 41.12 37.92 3kqe n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3kqe n ASN 93 N -2.94 -4.83 -1.15 1.67 5.15 -1.02 -1.01 115.26 111.13 3kqe n ASN 93 Ca -0.32 0.30 -0.14 0.00 -0.60 0.00 0.00 54.58 53.82 3kqe n ASN 93 Cb 0.69 -4.23 -0.05 0.00 -0.53 0.00 0.00 39.78 35.66 3kqe n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kqe n GLY 94 N -0.56 1.14 2.43 8.20 0.00 -0.29 -1.55 105.19 114.57 3kqe n GLY 94 Ca -0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 3kqe n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqe n ASP 95 N -0.30 -4.75 -4.81 1.61 4.64 -0.18 -4.96 116.55 107.79 3kqe n ASP 95 Ca -0.14 0.34 -0.34 0.00 -1.38 0.00 0.00 54.79 53.27 3kqe n ASP 95 Cb 0.48 -3.47 -0.07 0.00 -1.04 0.00 0.00 41.12 37.02 3kqe n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kqe h ASP 97 N 2.27 0.66 0.00 0.00 3.45 -1.53 -3.47 116.42 117.80 3kqe h ASP 97 Ca -0.48 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 56.54 3kqe h ASP 97 Cb 1.18 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3kqe h ASP 97 CO 0.62 1.20 0.00 0.00 -1.57 0.00 0.00 179.24 179.50 3kqe n GLN 98 N -3.87 0.00 -2.15 3.56 6.02 -1.26 -5.00 117.38 114.69 3kqe n GLN 98 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 3kqe n GLN 98 Cb 0.73 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.96 3kqe n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kqe s PHE 99 N 2.05 3.22 -0.13 1.08 0.08 -0.49 -4.91 117.98 118.88 3kqe s PHE 99 Ca 0.00 0.94 0.02 0.00 0.12 0.00 0.00 56.93 58.01 3kqe s PHE 99 Cb 0.00 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 3kqe s PHE 99 CO 0.00 -2.45 -0.20 0.00 -0.10 0.00 0.00 175.22 172.47 3kqe s HIS 101 N 0.62 1.71 -0.17 0.00 3.76 0.73 -4.99 115.29 116.94 3kqe s HIS 101 Ca -0.11 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 3kqe s HIS 101 Cb -0.16 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.68 3kqe s HIS 101 CO 0.03 0.31 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.93 3kqe s GLU 102 N -3.12 3.40 -0.03 1.40 2.02 -1.26 -0.05 118.70 121.06 3kqe s GLU 102 Ca 0.17 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 3kqe s GLU 102 Cb -0.04 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.41 3kqe s GLU 102 CO 0.06 0.03 0.02 -1.21 0.02 0.00 0.00 175.26 174.19 3kqe s GLU 103 N 0.85 0.14 -1.56 1.61 2.02 0.20 -4.87 118.70 117.09 3kqe s GLU 103 Ca -0.03 0.17 -0.14 0.00 0.02 0.00 0.00 54.97 54.99 3kqe s GLU 103 Cb -0.15 -0.44 0.10 0.00 0.10 0.00 0.00 34.13 33.74 3kqe s GLU 103 CO 0.01 -0.19 0.91 1.04 0.02 0.00 0.00 175.26 177.05 3kqe n GLN 104 N 4.42 -4.93 -1.72 1.61 6.02 -1.26 -0.87 117.38 120.65 3kqe n GLN 104 Ca -0.22 0.54 -0.15 0.00 -0.01 0.00 0.00 57.00 57.17 3kqe n GLN 104 Cb 0.50 -5.36 -0.05 0.00 1.02 0.00 0.00 30.24 26.35 3kqe n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kqe n ASN 105 N -2.81 -4.75 -4.31 1.08 5.15 -1.26 -5.03 115.26 103.34 3kqe n ASN 105 Ca 0.02 0.25 -0.18 0.00 -0.60 0.00 0.00 54.58 54.07 3kqe n ASN 105 Cb 0.53 -3.69 -0.11 0.00 -0.53 0.00 0.00 39.78 35.99 3kqe n ASN 105 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kqe s SER 106 N -2.67 2.36 -0.04 1.20 0.15 -0.05 -5.05 113.70 109.61 3kqe s SER 106 Ca 0.00 -0.94 -0.30 0.00 0.70 0.00 0.00 55.95 55.41 3kqe s SER 106 Cb 0.00 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.17 3kqe s SER 106 CO 0.00 -0.16 1.13 -0.69 1.20 0.00 0.00 173.24 174.73 3kqe s VAL 107 N -2.63 4.40 -0.15 4.45 1.01 -1.26 -0.63 120.40 125.59 3kqe s VAL 107 Ca 0.17 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.87 3kqe s VAL 107 Cb -0.02 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3kqe s VAL 107 CO 0.05 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.35 3kqe s VAL 108 N 1.80 1.64 0.17 2.92 1.01 0.93 -4.93 120.40 123.94 3kqe s VAL 108 Ca 0.54 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3kqe s VAL 108 Cb -0.24 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3kqe s VAL 108 CO 0.23 0.47 0.34 0.00 0.00 0.00 0.00 175.10 176.14 3kqe s SER 110 N -3.17 -0.20 0.26 0.00 1.04 -0.52 -4.97 113.70 106.14 3kqe s SER 110 Ca 0.37 -0.47 0.11 0.00 0.48 0.00 0.00 55.95 56.43 3kqe s SER 110 Cb -0.11 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 3kqe s SER 110 CO 0.29 -0.95 -0.18 0.00 0.98 0.00 0.00 173.24 173.38 3kqe s ALA 112 N -2.66 1.47 0.33 0.00 0.00 -1.26 -4.92 121.76 114.72 3kqe s ALA 112 Ca 0.28 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 3kqe s ALA 112 Cb -0.04 -2.98 -0.11 0.00 0.00 0.00 0.00 23.12 20.00 3kqe s ALA 112 CO 0.12 -2.65 1.43 1.03 0.00 0.00 0.00 175.76 175.69 3kqe s ARG 113 N -5.34 4.22 0.00 0.00 1.81 -1.26 -2.54 118.95 115.84 3kqe s ARG 113 Ca 0.67 2.41 0.00 0.00 -1.72 0.00 0.00 55.73 57.09 3kqe s ARG 113 Cb -0.13 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 3kqe s ARG 113 CO 0.54 -0.41 0.00 0.41 -0.68 0.00 0.00 175.30 175.16 3kqe n GLY 114 N 1.04 0.60 3.27 -3.53 0.00 -1.26 -4.64 105.19 100.68 3kqe n GLY 114 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3kqe n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqe s TYR 115 N -2.39 1.91 -0.03 1.61 2.02 -1.05 -0.82 117.35 118.59 3kqe s TYR 115 Ca 0.00 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 3kqe s TYR 115 Cb 0.00 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 3kqe s TYR 115 CO 0.00 0.11 -0.15 0.95 -1.57 0.00 0.00 175.55 174.90 3kqe s THR 116 N -0.83 3.04 0.10 -0.71 -4.23 0.10 -4.74 115.64 108.36 3kqe s THR 116 Ca 0.08 -0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 59.49 3kqe s THR 116 Cb -0.09 -2.21 -0.08 0.00 1.34 0.00 0.00 72.50 71.46 3kqe s THR 116 CO 0.02 0.55 1.43 -0.22 -0.54 0.00 0.00 174.62 175.85 3kqe s LEU 117 N -0.86 4.36 1.10 4.79 2.96 -1.26 0.24 118.68 130.00 3kqe s LEU 117 Ca 0.12 2.33 -0.13 0.00 -0.22 0.00 0.00 54.13 56.23 3kqe s LEU 117 Cb -0.11 -3.58 0.24 0.00 0.50 0.00 0.00 46.19 43.25 3kqe s LEU 117 CO 0.02 -0.70 1.06 0.00 -1.32 0.00 0.00 176.35 175.41 3kqe s ALA 118 N 1.43 0.26 0.31 5.97 0.00 0.29 -4.88 121.76 125.13 3kqe s ALA 118 Ca 0.66 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3kqe s ALA 118 Cb -0.37 -3.14 0.58 0.00 0.00 0.00 0.00 23.12 20.19 3kqe s ALA 118 CO 0.30 -3.37 1.90 -0.44 0.00 0.00 0.00 175.76 174.14 3kqe h ASP 119 N -2.30 0.87 0.25 0.00 3.32 -1.95 -1.08 116.42 115.53 3kqe h ASP 119 Ca -0.57 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.50 3kqe h ASP 119 Cb 1.33 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3kqe h ASP 119 CO 0.53 0.53 0.00 -0.46 -1.72 0.00 0.00 179.24 178.12 3kqe n ASN 120 N -4.52 0.00 -1.61 6.45 0.23 -1.26 -4.86 115.26 109.69 3kqe n ASN 120 Ca 0.15 0.26 -0.17 0.00 -0.53 0.00 0.00 54.58 54.29 3kqe n ASN 120 Cb 0.26 -0.36 -0.04 0.00 -2.08 0.00 0.00 39.78 37.56 3kqe n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqe n GLY 121 N -0.41 0.71 1.43 4.83 0.00 -0.41 -4.84 105.19 106.51 3kqe n GLY 121 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3kqe n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqe n LYS 122 N -2.57 0.00 -2.08 1.61 5.02 -1.26 -4.28 118.16 114.60 3kqe n LYS 122 Ca -0.19 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.79 3kqe n LYS 122 Cb 0.60 -0.28 -0.00 0.00 -0.02 0.00 0.00 35.03 35.33 3kqe n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqe s ALA 123 N -2.00 2.92 -0.18 7.82 0.00 -1.26 -1.34 121.76 127.72 3kqe s ALA 123 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 3kqe s ALA 123 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3kqe s ALA 123 CO 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 175.76 174.99 3kqe s ILE 125 N 1.21 4.64 0.26 0.00 -1.09 0.14 -4.86 121.20 121.48 3kqe s ILE 125 Ca 0.02 -0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 3kqe s ILE 125 Cb -0.14 -3.13 -0.11 0.00 -1.58 0.00 0.00 42.46 37.50 3kqe s ILE 125 CO -0.07 0.39 1.58 -2.84 -1.23 0.00 0.00 174.94 172.77 3kqe s PRO 126 N 1.00 4.16 0.20 2.79 0.02 -1.26 0.02 135.00 141.93 3kqe s PRO 126 Ca 0.04 2.50 0.25 0.00 0.02 0.00 0.00 61.00 63.82 3kqe s PRO 126 Cb -0.14 -3.06 0.62 0.00 0.02 0.00 0.00 34.50 31.94 3kqe s PRO 126 CO 0.03 -0.60 1.62 1.79 -0.33 0.00 0.00 177.00 179.51 3kqe h THR 127 N 3.55 0.00 -2.28 0.99 1.35 -1.33 -3.46 112.91 111.72 3kqe h THR 127 Ca -0.46 -0.54 0.01 0.00 -0.55 0.00 0.00 66.41 64.88 3kqe h THR 127 Cb 1.21 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3kqe h THR 127 CO 0.83 0.00 0.15 0.61 -0.25 0.00 0.00 175.52 176.86 3kqe n GLY 128 N 1.30 1.41 3.76 5.82 0.00 -1.26 -5.10 105.19 111.11 3kqe n GLY 128 Ca 0.05 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 3kqe n GLY 128 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kqe s PRO 129 N -2.03 2.40 -1.25 1.61 0.02 -1.26 -4.07 135.00 130.43 3kqe s PRO 129 Ca 0.07 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 62.32 3kqe s PRO 129 Cb -0.02 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.59 3kqe s PRO 129 CO 0.04 -1.55 0.70 0.66 -0.33 0.00 0.00 177.00 176.53 3kqe n TYR 130 N -3.09 -1.92 -1.42 6.54 4.01 -1.26 -4.98 117.16 115.04 3kqe n TYR 130 Ca 0.10 0.70 -0.34 0.00 -0.16 0.00 0.00 57.90 58.20 3kqe n TYR 130 Cb 0.52 -3.95 0.09 0.00 -0.31 0.00 0.00 39.34 35.69 3kqe n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3kqe s PRO 131 N -5.92 2.16 0.64 -0.72 0.04 -1.26 -4.94 135.00 125.01 3kqe s PRO 131 Ca 0.20 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 3kqe s PRO 131 Cb -0.06 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 3kqe s PRO 131 CO 0.83 -1.79 1.27 0.00 0.04 0.00 0.00 177.00 177.35 3kqe n GLY 133 N 0.78 0.36 3.64 0.00 0.00 -1.26 -5.00 105.19 103.70 3kqe n GLY 133 Ca 0.15 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3kqe n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqe s LYS 134 N -1.37 3.66 0.47 1.61 -0.14 -1.22 -5.09 119.74 117.66 3kqe s LYS 134 Ca 0.00 -0.38 -0.22 0.00 -1.36 0.00 0.00 55.97 54.01 3kqe s LYS 134 Cb 0.00 -3.06 -0.07 0.00 -1.68 0.00 0.00 37.83 33.02 3kqe s LYS 134 CO 0.00 0.40 1.13 -0.65 -0.76 0.00 0.00 175.35 175.47 3kqe s GLN 135 N -0.02 3.73 -1.05 1.68 -0.21 -1.26 -4.95 119.66 117.59 3kqe s GLN 135 Ca 0.05 1.67 -0.02 0.00 0.02 0.00 0.00 55.36 57.08 3kqe s GLN 135 Cb -0.12 -2.32 0.31 0.00 1.00 0.00 0.00 33.01 31.88 3kqe s GLN 135 CO 0.01 -0.55 1.76 0.25 -2.12 0.00 0.00 175.29 174.64 3kqe n THR 136 N -0.63 5.92 0.14 -0.19 -2.24 -1.26 -4.76 114.28 111.25 3kqe n THR 136 Ca 0.08 -5.95 0.09 0.00 -2.27 0.00 0.00 64.05 56.00 3kqe n THR 136 Cb 0.49 -1.69 0.05 0.00 -2.10 0.00 0.00 70.33 67.08 3kqe n THR 136 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kqe h LEU 137 N 4.54 0.00 -0.84 3.22 3.38 -2.06 -3.56 115.31 119.99 3kqe h LEU 137 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3kqe h LEU 137 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kqe h LEU 137 CO 1.23 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 179.29