#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkh s LEU 88 N 0.00 2.19 0.31 3.14 1.43 -1.26 -4.38 118.68 120.11 2jkh s LEU 88 Ca 0.00 -0.46 0.25 0.00 -1.03 0.00 0.00 54.13 52.89 2jkh s LEU 88 Cb 0.00 -0.47 1.04 0.00 0.03 0.00 0.00 46.19 46.80 2jkh s LEU 88 CO 0.00 -0.03 1.76 0.00 0.23 0.00 0.00 176.35 178.31 2jkh n SER 90 N -2.39 0.11 -4.14 0.00 3.41 -1.26 -2.83 113.62 106.51 2jkh n SER 90 Ca 0.02 -0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.17 2jkh n SER 90 Cb 0.25 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 2jkh n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jkh s LEU 91 N -2.64 2.73 -1.21 1.04 1.43 -1.17 -4.71 118.68 114.14 2jkh s LEU 91 Ca 0.26 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2jkh s LEU 91 Cb 0.20 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.90 2jkh s LEU 91 CO 0.48 -0.07 0.33 0.47 0.23 0.00 0.00 176.35 177.79 2jkh n ASP 92 N 4.61 -3.97 -3.29 2.29 8.00 -1.26 -1.64 116.55 121.29 2jkh n ASP 92 Ca -0.18 -0.16 -0.23 0.00 0.71 0.00 0.00 54.79 54.93 2jkh n ASP 92 Cb 0.48 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 2jkh n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jkh n ASN 93 N -2.13 -4.24 -1.46 -2.24 5.15 -1.13 -0.53 115.26 108.67 2jkh n ASN 93 Ca -0.07 -0.37 -0.18 0.00 -0.60 0.00 0.00 54.58 53.36 2jkh n ASN 93 Cb 0.57 -3.48 -0.07 0.00 -0.53 0.00 0.00 39.78 36.27 2jkh n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkh n GLY 94 N -1.25 1.62 2.74 8.20 0.00 -0.65 -1.21 105.19 114.64 2jkh n GLY 94 Ca -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jkh n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkh n ASP 95 N -1.01 -5.22 -4.76 1.61 8.00 0.31 -4.99 116.55 110.48 2jkh n ASP 95 Ca -0.19 0.01 -0.39 0.00 0.71 0.00 0.00 54.79 54.94 2jkh n ASP 95 Cb 0.61 -2.76 -0.06 0.00 -0.02 0.00 0.00 41.12 38.89 2jkh n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jkh h ASP 97 N 3.68 0.56 0.00 0.00 5.19 -1.45 -3.47 116.42 120.93 2jkh h ASP 97 Ca -0.46 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 2jkh h ASP 97 Cb 1.20 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.56 2jkh h ASP 97 CO 0.66 0.80 0.00 0.00 -3.12 0.00 0.00 179.24 177.59 2jkh n GLN 98 N -4.12 0.00 -2.41 3.56 6.02 -1.26 -4.99 117.38 114.19 2jkh n GLN 98 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2jkh n GLN 98 Cb 0.41 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.64 2jkh n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2jkh s PHE 99 N 2.21 3.39 -0.04 1.08 0.08 -0.42 -4.90 117.98 119.38 2jkh s PHE 99 Ca 0.00 1.63 0.03 0.00 0.12 0.00 0.00 56.93 58.72 2jkh s PHE 99 Cb 0.00 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 2jkh s PHE 99 CO 0.00 -0.85 -0.13 0.00 -0.10 0.00 0.00 175.22 174.14 2jkh s HIS 101 N 0.20 0.76 0.04 0.00 3.76 -0.31 -4.99 115.29 114.75 2jkh s HIS 101 Ca -0.05 -0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 54.50 2jkh s HIS 101 Cb -0.11 -0.49 -0.06 0.00 1.11 0.00 0.00 32.58 33.03 2jkh s HIS 101 CO 0.02 -0.02 0.64 -1.21 -0.85 0.00 0.00 174.74 173.32 2jkh s GLU 102 N -0.18 4.35 0.47 1.40 2.02 -1.26 -0.39 118.70 125.11 2jkh s GLU 102 Ca 0.03 0.83 0.04 0.00 0.02 0.00 0.00 54.97 55.89 2jkh s GLU 102 Cb -0.03 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.92 2jkh s GLU 102 CO -0.00 0.43 0.33 0.39 0.02 0.00 0.00 175.26 176.43 2jkh n GLU 103 N 2.41 0.80 -2.07 1.61 -0.58 0.11 -4.93 120.64 117.98 2jkh n GLU 103 Ca -0.07 -2.99 -0.37 0.00 -0.42 0.00 0.00 57.16 53.32 2jkh n GLU 103 Cb 0.51 0.36 -0.03 0.00 -0.57 0.00 0.00 31.44 31.70 2jkh n GLU 103 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2jkh s GLN 104 N -3.92 2.65 0.00 3.49 1.11 -1.26 -3.54 119.66 118.19 2jkh s GLN 104 Ca 0.25 0.43 0.00 0.00 0.01 0.00 0.00 55.36 56.05 2jkh s GLN 104 Cb -0.02 -4.48 0.00 0.00 -1.01 0.00 0.00 33.01 27.50 2jkh s GLN 104 CO 0.16 -2.79 0.00 0.09 0.01 0.00 0.00 175.29 172.76 2jkh n ASN 105 N 12.72 -0.93 0.00 5.90 4.13 -1.26 -5.05 115.26 130.78 2jkh n ASN 105 Ca 0.22 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2jkh n ASN 105 Cb 0.51 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 2jkh n ASN 105 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2jkh n SER 106 N 1.43 0.00 -4.88 6.41 3.41 -1.23 -4.72 113.62 114.03 2jkh n SER 106 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2jkh n SER 106 Cb 0.30 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 2jkh n SER 106 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2jkh s VAL 107 N -1.56 5.02 -0.15 -3.33 -7.23 -1.26 0.06 120.40 111.95 2jkh s VAL 107 Ca 0.00 0.32 0.02 0.00 -1.81 0.00 0.00 61.98 60.51 2jkh s VAL 107 Cb 0.00 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.33 2jkh s VAL 107 CO 0.00 -0.02 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.87 2jkh s VAL 108 N -1.75 1.99 0.31 1.32 1.01 0.48 -4.90 120.40 118.86 2jkh s VAL 108 Ca 0.45 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2jkh s VAL 108 Cb -0.12 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 2jkh s VAL 108 CO 0.22 0.53 0.61 0.00 0.00 0.00 0.00 175.10 176.47 2jkh s SER 110 N -2.96 0.45 0.07 0.00 1.04 -0.44 -4.97 113.70 106.89 2jkh s SER 110 Ca 0.47 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.63 2jkh s SER 110 Cb -0.11 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2jkh s SER 110 CO 0.28 -1.41 -0.06 0.00 0.98 0.00 0.00 173.24 173.03 2jkh s ALA 112 N -3.05 1.57 0.34 0.00 0.00 -1.26 -4.91 121.76 114.45 2jkh s ALA 112 Ca 0.04 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 2jkh s ALA 112 Cb 0.01 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 2jkh s ALA 112 CO -0.05 -2.47 1.31 -2.13 0.00 0.00 0.00 175.76 172.43 2jkh n ARG 113 N -4.01 2.16 -0.24 0.00 0.63 -1.26 -2.21 116.66 111.74 2jkh n ARG 113 Ca 0.09 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2jkh n ARG 113 Cb 0.53 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.09 2jkh n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jkh n GLY 114 N 0.81 0.63 3.23 5.14 0.00 -1.26 -4.63 105.19 109.11 2jkh n GLY 114 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2jkh n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkh s TYR 115 N -2.46 1.39 -0.08 1.61 1.51 -0.94 -1.04 117.35 117.34 2jkh s TYR 115 Ca 0.00 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 2jkh s TYR 115 Cb 0.00 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2jkh s TYR 115 CO 0.00 0.13 -0.22 0.99 -1.11 0.00 0.00 175.55 175.34 2jkh s THR 116 N -1.93 2.31 0.17 -0.71 2.01 0.15 -4.81 115.64 112.84 2jkh s THR 116 Ca 0.07 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.79 2jkh s THR 116 Cb -0.06 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 2jkh s THR 116 CO 0.03 0.56 1.55 -0.22 -0.69 0.00 0.00 174.62 175.85 2jkh s LEU 117 N -0.04 4.37 0.94 4.42 2.96 -1.26 -0.54 118.68 129.53 2jkh s LEU 117 Ca -0.06 2.62 -0.11 0.00 -0.22 0.00 0.00 54.13 56.36 2jkh s LEU 117 Cb -0.15 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 43.11 2jkh s LEU 117 CO 0.05 -0.81 1.09 0.00 -1.32 0.00 0.00 176.35 175.36 2jkh s ALA 118 N 1.00 1.17 0.50 5.97 0.00 0.35 -4.88 121.76 125.88 2jkh s ALA 118 Ca 0.69 0.17 0.16 0.00 0.00 0.00 0.00 51.96 52.97 2jkh s ALA 118 Cb -0.43 -3.29 1.22 0.00 0.00 0.00 0.00 23.12 20.61 2jkh s ALA 118 CO 0.33 -2.73 2.12 -0.44 0.00 0.00 0.00 175.76 175.04 2jkh h ASP 119 N -1.83 0.07 0.26 0.00 3.32 -1.93 -0.30 116.42 116.00 2jkh h ASP 119 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jkh h ASP 119 Cb 1.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2jkh h ASP 119 CO 0.49 0.05 0.00 -0.46 -1.72 0.00 0.00 179.24 177.60 2jkh n ASN 120 N -4.52 0.00 0.00 6.45 0.23 -1.26 -4.87 115.26 111.29 2jkh n ASN 120 Ca -0.01 -0.16 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2jkh n ASN 120 Cb 0.13 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 2jkh n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jkh n GLY 121 N 0.31 0.37 1.07 4.83 0.00 -0.12 -4.84 105.19 106.80 2jkh n GLY 121 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jkh n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jkh n LYS 122 N -1.95 0.00 -2.26 1.61 4.76 -1.26 -4.18 118.16 114.88 2jkh n LYS 122 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 2jkh n LYS 122 Cb 0.13 -0.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.85 2jkh n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jkh s ALA 123 N -1.97 3.03 -0.18 7.82 0.00 -1.26 -1.16 121.76 128.05 2jkh s ALA 123 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 2jkh s ALA 123 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2jkh s ALA 123 CO 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 175.76 175.23 2jkh s ILE 125 N 1.12 4.06 0.43 0.00 -1.09 0.29 -4.89 121.20 121.12 2jkh s ILE 125 Ca 0.01 -0.33 -0.26 0.00 -2.23 0.00 0.00 60.65 57.83 2jkh s ILE 125 Cb -0.14 -2.92 -0.09 0.00 -1.58 0.00 0.00 42.46 37.72 2jkh s ILE 125 CO -0.05 0.31 1.46 -2.84 -1.23 0.00 0.00 174.94 172.59 2jkh s PRO 126 N 1.57 3.83 0.00 2.79 0.02 -1.26 -0.67 135.00 141.27 2jkh s PRO 126 Ca 0.06 2.49 0.25 0.00 0.02 0.00 0.00 61.00 63.81 2jkh s PRO 126 Cb -0.15 -2.76 0.37 0.00 0.02 0.00 0.00 34.50 31.97 2jkh s PRO 126 CO 0.02 -0.73 1.34 0.25 -0.33 0.00 0.00 177.00 177.55 2jkh n THR 127 N 0.03 0.00 -3.99 0.99 -2.24 -0.21 -4.84 114.28 104.01 2jkh n THR 127 Ca 0.04 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 2jkh n THR 127 Cb 0.41 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 2jkh n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jkh s GLY 128 N -2.27 0.88 0.09 3.38 0.00 -1.26 -5.07 107.32 103.07 2jkh s GLY 128 Ca 0.26 -1.10 0.27 0.00 0.00 0.00 0.00 44.72 44.14 2jkh s GLY 128 CO 0.45 -0.70 1.73 -1.55 0.00 0.00 0.00 173.10 173.03 2jkh n PRO 129 N -0.49 0.13 -3.06 2.90 -0.04 -1.26 -4.04 135.00 129.14 2jkh n PRO 129 Ca -0.02 0.09 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 2jkh n PRO 129 Cb 0.61 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2jkh n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jkh n TYR 130 N -1.85 2.71 -1.64 0.54 4.01 -1.26 -5.10 117.16 114.57 2jkh n TYR 130 Ca 0.06 -3.94 -0.35 0.00 -0.16 0.00 0.00 57.90 53.50 2jkh n TYR 130 Cb 0.38 -0.47 0.07 0.00 -0.31 0.00 0.00 39.34 39.02 2jkh n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2jkh s PRO 131 N -2.99 2.44 0.53 -0.72 0.04 -1.26 -4.93 135.00 128.12 2jkh s PRO 131 Ca 0.45 1.83 -0.22 0.00 0.04 0.00 0.00 61.00 63.10 2jkh s PRO 131 Cb 0.28 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.91 2jkh s PRO 131 CO -0.11 -1.62 1.28 0.00 0.04 0.00 0.00 177.00 176.59 2jkh n GLY 133 N 0.85 0.72 3.55 0.00 0.00 -1.26 -4.99 105.19 104.06 2jkh n GLY 133 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2jkh n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkh s LYS 134 N -0.14 3.81 0.57 1.61 -0.14 -1.18 -5.09 119.74 119.19 2jkh s LYS 134 Ca 0.00 -0.43 -0.21 0.00 -1.36 0.00 0.00 55.97 53.97 2jkh s LYS 134 Cb 0.00 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 2jkh s LYS 134 CO 0.00 0.18 1.32 1.04 -0.76 0.00 0.00 175.35 177.13 2jkh n GLN 135 N 3.77 1.51 -3.12 1.68 6.02 -1.26 -4.91 117.38 121.08 2jkh n GLN 135 Ca -0.17 0.56 -0.45 0.00 -0.01 0.00 0.00 57.00 56.94 2jkh n GLN 135 Cb 0.52 -2.54 -0.01 0.00 1.02 0.00 0.00 30.24 29.24 2jkh n GLN 135 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2jkh s THR 136 N -1.32 5.36 -0.08 5.09 -4.23 -1.26 -4.74 115.64 114.46 2jkh s THR 136 Ca 0.74 -2.69 0.15 0.00 -1.18 0.00 0.00 61.69 58.71 2jkh s THR 136 Cb -0.41 -4.74 -0.22 0.00 1.34 0.00 0.00 72.50 68.47 2jkh s THR 136 CO 0.47 -1.39 0.21 0.18 -0.54 0.00 0.00 174.62 173.55 2jkh n LEU 137 N 4.66 0.00 -4.56 4.79 4.77 -1.26 -4.85 117.00 120.55 2jkh n LEU 137 Ca 0.28 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 2jkh n LEU 137 Cb 0.43 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 2jkh n LEU 137 CO 0.52 0.17 0.48 -0.70 -1.33 0.00 0.00 177.39 176.53 2jkh s GLU 138 N -2.75 3.61 -0.17 3.23 -6.30 -1.26 -5.02 118.70 110.04 2jkh s GLU 138 Ca -0.07 0.06 -0.29 0.00 -2.50 0.00 0.00 54.97 52.18 2jkh s GLU 138 Cb 0.07 -3.85 -0.02 0.00 0.00 0.00 0.00 34.13 30.34 2jkh s GLU 138 CO 0.64 -0.88 1.37 1.03 0.02 0.00 0.00 175.26 177.44 2jkh s ARG 139 N 2.96 4.15 0.00 4.30 0.52 -1.26 -5.19 118.95 124.43 2jkh s ARG 139 Ca 0.28 1.71 0.30 0.00 -0.52 0.00 0.00 55.73 57.49 2jkh s ARG 139 Cb -0.14 -3.84 1.40 0.00 0.52 0.00 0.00 34.95 32.89 2jkh s ARG 139 CO 0.17 -0.83 1.94 0.54 0.02 0.00 0.00 175.30 177.14