#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqb n LEU 88 N 0.00 0.00 0.29 -0.35 4.77 -1.26 -0.54 117.00 119.91 3kqb n LEU 88 Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.18 3kqb n LEU 88 Cb 0.00 0.00 1.02 0.00 -2.33 0.00 0.00 43.42 42.11 3kqb n LEU 88 CO 0.00 0.00 1.09 0.00 -1.33 0.00 0.00 177.39 177.15 3kqb n SER 90 N -2.90 0.61 -4.27 0.00 7.64 0.29 -2.96 113.62 112.04 3kqb n SER 90 Ca -0.02 0.32 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 3kqb n SER 90 Cb 0.10 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 3kqb n SER 90 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kqb s LEU 91 N -4.01 5.92 -1.42 -3.43 2.96 -0.68 -4.63 118.68 113.39 3kqb s LEU 91 Ca 0.10 -1.83 -0.03 0.00 -0.22 0.00 0.00 54.13 52.15 3kqb s LEU 91 Cb 0.14 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3kqb s LEU 91 CO 0.64 -0.77 0.54 -0.67 -1.32 0.00 0.00 176.35 174.77 3kqb n ASP 92 N 5.08 -1.01 -2.07 3.68 4.64 -1.26 -1.19 116.55 124.43 3kqb n ASP 92 Ca -0.11 -0.96 -0.16 0.00 -1.38 0.00 0.00 54.79 52.19 3kqb n ASP 92 Cb 0.40 -3.26 -0.03 0.00 -1.04 0.00 0.00 41.12 37.19 3kqb n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3kqb n ASN 93 N -2.96 -4.46 -1.38 1.67 5.15 -1.16 -0.95 115.26 111.18 3kqb n ASN 93 Ca -0.25 0.21 -0.18 0.00 -0.60 0.00 0.00 54.58 53.77 3kqb n ASN 93 Cb 0.66 -3.86 -0.07 0.00 -0.53 0.00 0.00 39.78 35.97 3kqb n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kqb n GLY 94 N -0.66 1.67 2.41 8.20 0.00 -0.33 -1.61 105.19 114.87 3kqb n GLY 94 Ca -0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 3kqb n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqb n ASP 95 N -0.87 -4.40 -4.80 1.61 4.64 -0.12 -4.95 116.55 107.65 3kqb n ASP 95 Ca -0.18 0.12 -0.34 0.00 -1.38 0.00 0.00 54.79 53.01 3kqb n ASP 95 Cb 0.58 -2.32 -0.04 0.00 -1.04 0.00 0.00 41.12 38.30 3kqb n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kqb h ASP 97 N 1.71 0.67 0.00 0.00 3.45 -1.63 -3.47 116.42 117.15 3kqb h ASP 97 Ca -0.49 -0.47 0.00 0.00 0.43 0.00 0.00 57.03 56.50 3kqb h ASP 97 Cb 1.21 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 3kqb h ASP 97 CO 0.60 1.25 0.00 0.00 -1.57 0.00 0.00 179.24 179.52 3kqb n GLN 98 N -3.85 0.00 -2.14 3.56 6.02 -1.26 -5.00 117.38 114.72 3kqb n GLN 98 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 3kqb n GLN 98 Cb 0.76 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.00 3kqb n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kqb s PHE 99 N 2.31 3.16 -0.10 1.08 0.08 -0.74 -4.92 117.98 118.86 3kqb s PHE 99 Ca 0.00 1.15 0.04 0.00 0.12 0.00 0.00 56.93 58.23 3kqb s PHE 99 Cb 0.00 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 3kqb s PHE 99 CO 0.00 -2.18 -0.22 0.00 -0.10 0.00 0.00 175.22 172.71 3kqb s HIS 101 N 0.42 1.39 -0.24 0.00 3.76 0.49 -4.99 115.29 116.13 3kqb s HIS 101 Ca -0.17 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.24 3kqb s HIS 101 Cb -0.18 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.69 3kqb s HIS 101 CO 0.07 0.09 0.08 -1.21 -0.85 0.00 0.00 174.74 172.92 3kqb s GLU 102 N -1.59 3.75 -0.07 1.40 2.02 -1.26 0.22 118.70 123.17 3kqb s GLU 102 Ca 0.01 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.57 3kqb s GLU 102 Cb -0.09 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.83 3kqb s GLU 102 CO 0.02 -0.08 -0.05 -1.21 0.02 0.00 0.00 175.26 173.96 3kqb s GLU 103 N 1.34 1.06 -1.49 1.61 2.02 -0.31 -4.88 118.70 118.04 3kqb s GLU 103 Ca 0.05 -0.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.83 3kqb s GLU 103 Cb -0.15 -1.10 0.06 0.00 0.10 0.00 0.00 34.13 33.04 3kqb s GLU 103 CO 0.04 -0.14 0.65 1.04 0.02 0.00 0.00 175.26 176.86 3kqb n GLN 104 N 4.41 -3.88 -1.93 1.61 6.02 -1.26 -0.82 117.38 121.53 3kqb n GLN 104 Ca -0.18 0.46 -0.19 0.00 -0.01 0.00 0.00 57.00 57.08 3kqb n GLN 104 Cb 0.51 -4.93 -0.05 0.00 1.02 0.00 0.00 30.24 26.79 3kqb n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kqb n ASN 105 N -2.89 -5.37 -4.26 1.08 5.15 -1.26 -5.01 115.26 102.71 3kqb n ASN 105 Ca -0.15 0.24 -0.19 0.00 -0.60 0.00 0.00 54.58 53.89 3kqb n ASN 105 Cb 0.61 -4.49 -0.11 0.00 -0.53 0.00 0.00 39.78 35.26 3kqb n ASN 105 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kqb s SER 106 N -2.49 2.10 0.01 1.20 0.15 -0.00 -5.04 113.70 109.62 3kqb s SER 106 Ca 0.00 -0.82 -0.30 0.00 0.70 0.00 0.00 55.95 55.53 3kqb s SER 106 Cb 0.00 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 3kqb s SER 106 CO 0.00 -0.13 1.10 -0.69 1.20 0.00 0.00 173.24 174.72 3kqb s VAL 107 N -2.12 4.46 -0.16 4.45 1.01 -1.26 -1.17 120.40 125.61 3kqb s VAL 107 Ca 0.10 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.85 3kqb s VAL 107 Cb -0.05 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3kqb s VAL 107 CO 0.04 0.11 -0.12 -0.69 0.00 0.00 0.00 175.10 174.43 3kqb s VAL 108 N 1.27 1.53 0.20 2.92 1.01 0.13 -4.93 120.40 122.53 3kqb s VAL 108 Ca 0.55 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3kqb s VAL 108 Cb -0.25 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 3kqb s VAL 108 CO 0.27 0.36 0.46 0.00 0.00 0.00 0.00 175.10 176.19 3kqb s SER 110 N -2.56 -0.03 0.34 0.00 1.04 -0.75 -4.96 113.70 106.78 3kqb s SER 110 Ca 0.43 -0.91 0.06 0.00 0.48 0.00 0.00 55.95 56.02 3kqb s SER 110 Cb -0.12 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 3kqb s SER 110 CO 0.24 -1.00 -0.01 0.00 0.98 0.00 0.00 173.24 173.46 3kqb s ALA 112 N -2.95 2.93 0.35 0.00 0.00 -1.26 -4.96 121.76 115.86 3kqb s ALA 112 Ca 0.33 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 3kqb s ALA 112 Cb 0.07 -2.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.18 3kqb s ALA 112 CO 0.15 -1.23 1.45 1.03 0.00 0.00 0.00 175.76 177.17 3kqb s ARG 113 N -5.34 4.18 0.00 0.00 1.81 -1.26 -2.40 118.95 115.94 3kqb s ARG 113 Ca 0.59 2.47 0.00 0.00 -1.72 0.00 0.00 55.73 57.06 3kqb s ARG 113 Cb -0.11 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 3kqb s ARG 113 CO 0.49 -0.45 0.00 0.41 -0.68 0.00 0.00 175.30 175.07 3kqb n GLY 114 N 0.86 0.71 3.22 -3.53 0.00 -1.26 -4.66 105.19 100.52 3kqb n GLY 114 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3kqb n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqb s TYR 115 N -2.35 1.54 -0.05 1.61 2.02 -1.01 -1.22 117.35 117.88 3kqb s TYR 115 Ca 0.00 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.34 3kqb s TYR 115 Cb 0.00 -0.88 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 3kqb s TYR 115 CO 0.00 0.11 -0.20 0.95 -1.57 0.00 0.00 175.55 174.85 3kqb s THR 116 N -1.06 2.56 0.14 -0.71 -4.23 0.14 -4.75 115.64 107.73 3kqb s THR 116 Ca 0.04 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.33 3kqb s THR 116 Cb -0.09 -1.97 -0.09 0.00 1.34 0.00 0.00 72.50 71.68 3kqb s THR 116 CO 0.03 0.58 1.53 -0.22 -0.54 0.00 0.00 174.62 175.99 3kqb s LEU 117 N -0.45 4.37 0.98 4.79 2.96 -1.26 -0.16 118.68 129.92 3kqb s LEU 117 Ca 0.05 2.53 -0.12 0.00 -0.22 0.00 0.00 54.13 56.37 3kqb s LEU 117 Cb -0.12 -3.59 0.18 0.00 0.50 0.00 0.00 46.19 43.16 3kqb s LEU 117 CO 0.01 -0.79 1.09 0.00 -1.32 0.00 0.00 176.35 175.34 3kqb s ALA 118 N 1.25 1.00 0.43 5.97 0.00 0.25 -4.89 121.76 125.77 3kqb s ALA 118 Ca 0.69 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.54 3kqb s ALA 118 Cb -0.42 -3.17 0.95 0.00 0.00 0.00 0.00 23.12 20.49 3kqb s ALA 118 CO 0.31 -2.79 2.05 -0.44 0.00 0.00 0.00 175.76 174.89 3kqb h ASP 119 N -1.86 0.39 0.24 0.00 3.32 -1.94 -0.38 116.42 116.19 3kqb h ASP 119 Ca -0.53 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3kqb h ASP 119 Cb 1.31 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3kqb h ASP 119 CO 0.55 0.27 0.00 -0.46 -1.72 0.00 0.00 179.24 177.88 3kqb n ASN 120 N -4.48 0.00 -1.37 6.45 0.23 -1.26 -4.86 115.26 109.97 3kqb n ASN 120 Ca 0.04 0.01 -0.17 0.00 -0.53 0.00 0.00 54.58 53.94 3kqb n ASN 120 Cb 0.15 -0.25 -0.07 0.00 -2.08 0.00 0.00 39.78 37.53 3kqb n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqb n GLY 121 N -0.05 1.55 1.25 4.83 0.00 -0.15 -4.83 105.19 107.80 3kqb n GLY 121 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3kqb n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqb n LYS 122 N -2.51 0.00 -2.19 1.61 5.02 -1.26 -4.23 118.16 114.59 3kqb n LYS 122 Ca -0.17 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.79 3kqb n LYS 122 Cb 0.57 -0.38 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 3kqb n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqb s ALA 123 N -2.00 2.82 -0.19 7.82 0.00 -1.26 -1.64 121.76 127.30 3kqb s ALA 123 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 3kqb s ALA 123 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 3kqb s ALA 123 CO 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 175.76 175.04 3kqb s ILE 125 N 1.22 4.44 0.25 0.00 -1.09 0.78 -4.87 121.20 121.93 3kqb s ILE 125 Ca 0.02 -0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 57.99 3kqb s ILE 125 Cb -0.14 -3.03 -0.11 0.00 -1.58 0.00 0.00 42.46 37.59 3kqb s ILE 125 CO -0.04 0.40 1.62 -2.84 -1.23 0.00 0.00 174.94 172.85 3kqb s PRO 126 N 1.04 4.14 0.18 2.79 0.02 -1.26 0.23 135.00 142.15 3kqb s PRO 126 Ca 0.04 2.54 0.26 0.00 0.02 0.00 0.00 61.00 63.86 3kqb s PRO 126 Cb -0.14 -3.06 0.88 0.00 0.02 0.00 0.00 34.50 32.20 3kqb s PRO 126 CO 0.03 -0.65 1.79 0.25 -0.33 0.00 0.00 177.00 178.09 3kqb n THR 127 N 2.91 0.53 -3.70 0.99 -2.24 -0.36 -4.86 114.28 107.56 3kqb n THR 127 Ca 0.11 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.66 3kqb n THR 127 Cb 0.37 -0.60 0.01 0.00 -2.10 0.00 0.00 70.33 68.01 3kqb n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqb n GLY 128 N 1.27 0.88 3.76 3.38 0.00 -1.26 -5.09 105.19 108.12 3kqb n GLY 128 Ca 0.06 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3kqb n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqb s PRO 129 N -2.02 1.86 -1.33 1.61 0.04 -1.26 -4.10 135.00 129.79 3kqb s PRO 129 Ca 0.12 0.86 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 3kqb s PRO 129 Cb -0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3kqb s PRO 129 CO 0.02 -1.83 0.64 0.66 0.04 0.00 0.00 177.00 176.52 3kqb n TYR 130 N -3.61 -1.85 -1.26 0.56 4.01 -1.26 -4.98 117.16 108.77 3kqb n TYR 130 Ca 0.07 0.82 -0.33 0.00 -0.16 0.00 0.00 57.90 58.30 3kqb n TYR 130 Cb 0.55 -4.23 0.11 0.00 -0.31 0.00 0.00 39.34 35.46 3kqb n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3kqb s PRO 131 N -6.13 1.90 0.60 -0.72 0.04 -1.26 -4.93 135.00 124.51 3kqb s PRO 131 Ca 0.01 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 3kqb s PRO 131 Cb -0.01 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 3kqb s PRO 131 CO 0.83 -2.00 1.28 0.00 0.04 0.00 0.00 177.00 177.15 3kqb n GLY 133 N 0.72 0.43 3.57 0.00 0.00 -1.26 -5.00 105.19 103.66 3kqb n GLY 133 Ca 0.14 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3kqb n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqb s LYS 134 N -1.28 3.85 0.56 1.61 -0.14 -1.22 -5.09 119.74 118.03 3kqb s LYS 134 Ca 0.00 -0.41 -0.20 0.00 -1.36 0.00 0.00 55.97 54.00 3kqb s LYS 134 Cb 0.00 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.95 3kqb s LYS 134 CO 0.00 0.20 1.22 -0.65 -0.76 0.00 0.00 175.35 175.35 3kqb s GLN 135 N 0.56 3.18 -1.03 1.68 -0.21 -1.26 -4.94 119.66 117.64 3kqb s GLN 135 Ca 0.02 1.87 -0.01 0.00 0.02 0.00 0.00 55.36 57.25 3kqb s GLN 135 Cb -0.13 -2.08 0.32 0.00 1.00 0.00 0.00 33.01 32.11 3kqb s GLN 135 CO 0.02 -1.05 1.75 0.25 -2.12 0.00 0.00 175.29 174.14 3kqb n THR 136 N -1.26 5.93 0.90 -0.19 -2.24 -1.26 -4.78 114.28 111.38 3kqb n THR 136 Ca 0.12 -5.97 0.13 0.00 -2.27 0.00 0.00 64.05 56.05 3kqb n THR 136 Cb 0.49 -1.65 0.38 0.00 -2.10 0.00 0.00 70.33 67.45 3kqb n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqb n LEU 137 N 0.19 0.39 -0.92 3.22 4.77 -1.26 -5.27 117.00 118.12 3kqb n LEU 137 Ca 0.43 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 3kqb n LEU 137 Cb 0.28 -0.33 0.14 0.00 -2.33 0.00 0.00 43.42 41.17 3kqb n LEU 137 CO 0.56 0.02 0.65 -0.62 -1.33 0.00 0.00 177.39 176.67