#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klj n ILE 90 N 0.00 0.72 -1.56 -0.08 5.41 -1.26 -4.45 119.36 118.13 1klj n ILE 90 Ca 0.00 -0.18 -0.19 0.00 1.00 0.00 0.00 62.75 63.38 1klj n ILE 90 Cb 0.00 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.05 1klj n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1klj h VAL 92 N 1.31 1.67 -3.40 0.00 2.07 -1.91 -2.42 116.25 113.58 1klj h VAL 92 Ca 0.39 -3.30 -0.59 0.00 0.82 0.00 0.00 66.70 64.02 1klj h VAL 92 Cb 1.54 2.83 -0.10 0.00 -1.52 0.00 0.00 31.29 34.04 1klj h VAL 92 CO 0.85 0.95 -0.15 0.20 0.02 0.00 0.00 177.57 179.43 1klj s ASN 93 N -6.80 6.56 -1.74 0.57 0.02 -1.26 -4.19 114.94 108.10 1klj s ASN 93 Ca -0.00 0.66 0.00 0.00 -1.02 0.00 0.00 52.86 52.50 1klj s ASN 93 Cb 0.10 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 39.10 1klj s ASN 93 CO 0.83 -0.06 0.00 -0.62 0.02 0.00 0.00 177.10 177.27 1klj n GLU 94 N 4.18 -1.60 -2.23 -0.60 -0.58 -1.26 -0.56 120.64 117.99 1klj n GLU 94 Ca -0.07 0.97 -0.17 0.00 -0.42 0.00 0.00 57.16 57.47 1klj n GLU 94 Cb 0.51 -5.44 -0.02 0.00 -0.57 0.00 0.00 31.44 25.93 1klj n GLU 94 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1klj n ASN 95 N -1.41 -5.02 -1.91 1.62 5.15 -1.26 -1.89 115.26 110.54 1klj n ASN 95 Ca -0.19 0.03 -0.16 0.00 -0.60 0.00 0.00 54.58 53.66 1klj n ASN 95 Cb 0.62 -4.10 -0.04 0.00 -0.53 0.00 0.00 39.78 35.73 1klj n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1klj n GLY 96 N -1.00 0.57 2.43 8.20 0.00 0.27 -0.46 105.19 115.20 1klj n GLY 96 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1klj n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1klj n GLY 97 N -0.57 0.46 3.78 -0.02 0.00 -0.79 -4.94 105.19 103.10 1klj n GLY 97 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1klj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klj h GLU 99 N 3.67 0.91 0.00 0.00 4.81 -1.36 -3.46 114.58 119.16 1klj h GLU 99 Ca -0.47 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1klj h GLU 99 Cb 1.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1klj h GLU 99 CO 0.66 0.87 0.00 1.04 -0.73 0.00 0.00 179.01 180.85 1klj n GLN 100 N -4.36 0.00 -3.50 1.92 6.02 -1.26 -5.05 117.38 111.15 1klj n GLN 100 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1klj n GLN 100 Cb 0.26 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.46 1klj n GLN 100 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1klj s TYR 101 N 2.08 3.49 0.23 1.08 2.02 -1.01 -4.92 117.35 120.33 1klj s TYR 101 Ca 0.00 0.81 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 1klj s TYR 101 Cb 0.00 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1klj s TYR 101 CO 0.00 0.37 0.17 0.00 -1.57 0.00 0.00 175.55 174.52 1klj s SER 103 N -3.21 -0.72 -0.16 0.00 1.04 -0.61 -4.91 113.70 105.13 1klj s SER 103 Ca 0.39 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 58.11 1klj s SER 103 Cb 0.06 1.30 -0.02 0.00 0.10 0.00 0.00 66.02 67.45 1klj s SER 103 CO 0.16 -0.23 -0.05 1.51 0.98 0.00 0.00 173.24 175.61 1klj s ASP 104 N 0.68 4.64 0.22 7.02 3.84 -1.26 -1.02 116.67 130.79 1klj s ASP 104 Ca -0.03 -0.18 0.06 0.00 -0.00 0.00 0.00 52.55 52.40 1klj s ASP 104 Cb -0.05 -1.75 -0.03 0.00 -1.38 0.00 0.00 42.92 39.70 1klj s ASP 104 CO -0.04 0.16 0.23 -1.00 -0.00 0.00 0.00 175.17 174.51 1klj s HIS 105 N 0.43 3.24 0.00 2.11 3.76 0.96 -4.96 115.29 120.84 1klj s HIS 105 Ca -0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1klj s HIS 105 Cb -0.15 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1klj s HIS 105 CO 0.03 0.50 0.00 0.25 -0.85 0.00 0.00 174.74 174.67 1klj n THR 106 N -0.98 0.00 -3.72 1.30 -2.24 -1.26 -3.53 114.28 103.85 1klj n THR 106 Ca -0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1klj n THR 106 Cb 0.57 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.65 1klj n THR 106 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1klj s GLY 107 N 0.00 -0.04 0.00 3.38 0.00 -1.26 -4.85 107.32 104.54 1klj s GLY 107 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1klj s GLY 107 CO 0.00 1.28 0.00 2.41 0.00 0.00 0.00 173.10 176.79 1klj n THR 108 N 4.55 0.00 -3.32 0.90 -1.04 -1.26 -4.97 114.28 109.14 1klj n THR 108 Ca -0.20 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 1klj n THR 108 Cb 0.51 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.94 1klj n THR 108 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1klj s LYS 109 N 0.00 3.68 0.15 -2.82 2.47 -1.23 -1.86 119.74 120.13 1klj s LYS 109 Ca 0.00 -0.20 0.02 0.00 -1.56 0.00 0.00 55.97 54.23 1klj s LYS 109 Cb 0.00 -3.78 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 1klj s LYS 109 CO 0.00 -0.53 -0.03 -0.98 0.16 0.00 0.00 175.35 173.98 1klj s ARG 110 N 2.20 1.03 -0.22 4.03 1.04 -1.26 -0.02 118.95 125.75 1klj s ARG 110 Ca 0.16 -1.47 -0.05 0.00 -1.04 0.00 0.00 55.73 53.33 1klj s ARG 110 Cb -0.16 -0.28 0.11 0.00 -2.04 0.00 0.00 34.95 32.58 1klj s ARG 110 CO 0.12 -0.08 0.39 -1.12 -0.04 0.00 0.00 175.30 174.56 1klj s SER 111 N -3.14 0.04 0.49 -2.89 0.01 -0.19 -4.91 113.70 103.12 1klj s SER 111 Ca 0.20 0.57 -0.20 0.00 1.31 0.00 0.00 55.95 57.84 1klj s SER 111 Cb 0.06 1.18 -0.08 0.00 0.21 0.00 0.00 66.02 67.39 1klj s SER 111 CO 0.01 -0.27 1.02 0.00 0.41 0.00 0.00 173.24 174.42 1klj n ARG 113 N -1.09 0.43 -4.15 0.00 1.74 1.02 -4.90 116.66 109.72 1klj n ARG 113 Ca 0.09 -3.36 -0.11 0.00 -0.77 0.00 0.00 57.85 53.70 1klj n ARG 113 Cb 0.53 2.61 -0.10 0.00 -1.02 0.00 0.00 32.46 34.48 1klj n ARG 113 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1klj s HIS 115 N -3.10 2.55 0.75 0.00 2.46 -1.26 -4.87 115.29 111.83 1klj s HIS 115 Ca 0.07 1.56 -0.15 0.00 0.47 0.00 0.00 55.06 57.01 1klj s HIS 115 Cb 0.02 -3.10 -0.01 0.00 -0.13 0.00 0.00 32.58 29.36 1klj s HIS 115 CO -0.03 -1.81 0.70 -1.91 -2.47 0.00 0.00 174.74 169.21 1klj n GLU 116 N -3.19 0.29 -0.55 2.88 2.13 -1.26 -1.99 120.64 118.95 1klj n GLU 116 Ca 0.10 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1klj n GLU 116 Cb 0.53 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1klj n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1klj n GLY 117 N 1.38 1.19 3.34 8.31 0.00 -1.26 -4.72 105.19 113.43 1klj n GLY 117 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1klj n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1klj s TYR 118 N -3.27 1.65 0.06 1.61 1.51 -0.84 0.28 117.35 118.34 1klj s TYR 118 Ca 0.00 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1klj s TYR 118 Cb 0.00 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1klj s TYR 118 CO 0.00 0.24 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.43 1klj s SER 119 N -3.31 1.51 -0.06 2.29 0.01 0.14 -4.84 113.70 109.45 1klj s SER 119 Ca 0.23 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 1klj s SER 119 Cb 0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1klj s SER 119 CO 0.07 -0.09 0.97 -0.22 0.41 0.00 0.00 173.24 174.38 1klj s LEU 120 N -1.66 4.30 0.94 2.44 2.96 -1.26 0.41 118.68 126.81 1klj s LEU 120 Ca -0.03 1.56 -0.12 0.00 -0.22 0.00 0.00 54.13 55.32 1klj s LEU 120 Cb -0.10 -3.52 0.15 0.00 0.50 0.00 0.00 46.19 43.22 1klj s LEU 120 CO 0.02 -0.34 1.09 -0.76 -1.32 0.00 0.00 176.35 175.04 1klj s LEU 121 N 1.50 1.96 0.47 -0.68 1.02 0.31 -4.87 118.68 118.40 1klj s LEU 121 Ca 0.49 1.33 0.32 0.00 0.02 0.00 0.00 54.13 56.30 1klj s LEU 121 Cb -0.19 -3.65 1.47 0.00 0.02 0.00 0.00 46.19 43.84 1klj s LEU 121 CO 0.22 -2.85 1.96 0.00 0.02 0.00 0.00 176.35 175.71 1klj h ALA 122 N -1.69 1.00 -0.98 4.21 0.00 -1.97 0.09 119.26 119.92 1klj h ALA 122 Ca -0.52 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.53 1klj h ALA 122 Cb 1.30 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1klj h ALA 122 CO 0.56 0.00 0.60 0.22 0.00 0.00 0.00 179.25 180.63 1klj h ASP 123 N 0.00 0.84 0.00 0.00 3.58 -1.93 -3.47 116.42 115.45 1klj h ASP 123 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1klj h ASP 123 Cb 0.30 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1klj h ASP 123 CO 0.00 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.38 1klj n GLY 124 N -1.34 0.11 0.00 -0.78 0.00 0.02 -4.84 105.19 98.36 1klj n GLY 124 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1klj n GLY 124 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1klj n VAL 125 N -1.94 0.00 -2.70 1.61 0.24 -1.26 -4.33 118.33 109.94 1klj n VAL 125 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 1klj n VAL 125 Cb 0.00 -0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 31.99 1klj n VAL 125 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1klj s SER 126 N -1.76 6.99 -0.08 -1.34 0.01 -1.26 -0.95 113.70 115.31 1klj s SER 126 Ca 0.00 1.87 0.02 0.00 1.31 0.00 0.00 55.95 59.15 1klj s SER 126 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1klj s SER 126 CO 0.00 -0.32 -0.14 0.00 0.41 0.00 0.00 173.24 173.18 1klj s THR 128 N -0.33 1.40 0.41 0.00 -1.32 0.17 -4.89 115.64 111.08 1klj s THR 128 Ca 0.03 -0.69 -0.24 0.00 -1.21 0.00 0.00 61.69 59.58 1klj s THR 128 Cb -0.13 -1.22 -0.11 0.00 -1.51 0.00 0.00 72.50 69.54 1klj s THR 128 CO 0.02 0.41 0.90 -2.65 -2.21 0.00 0.00 174.62 171.09 1klj n PRO 129 N 3.27 1.15 -0.00 7.08 -0.02 -1.26 -0.68 135.00 144.53 1klj n PRO 129 Ca -0.19 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1klj n PRO 129 Cb 0.53 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1klj n PRO 129 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1klj n THR 130 N -0.52 0.00 -4.61 3.45 -2.24 0.14 -4.76 114.28 105.74 1klj n THR 130 Ca 0.10 -0.40 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1klj n THR 130 Cb 0.38 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 1klj n THR 130 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1klj s VAL 131 N -1.37 1.69 0.25 2.28 -7.23 -1.25 -5.04 120.40 109.73 1klj s VAL 131 Ca 0.01 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.33 1klj s VAL 131 Cb 0.02 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 34.21 1klj s VAL 131 CO 0.13 0.00 1.70 -0.08 -0.31 0.00 0.00 175.10 176.54 1klj h GLU 132 N 1.76 0.00 -2.06 4.82 4.81 -1.96 -3.37 114.58 118.58 1klj h GLU 132 Ca -0.43 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.23 1klj h GLU 132 Cb 1.25 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.23 1klj h GLU 132 CO 0.77 0.47 -0.95 0.66 -0.73 0.00 0.00 179.01 179.23 1klj n TYR 133 N -3.73 0.83 -1.73 0.92 4.02 -1.26 -5.07 117.16 111.13 1klj n TYR 133 Ca -0.01 -3.74 -0.39 0.00 -0.01 0.00 0.00 57.90 53.76 1klj n TYR 133 Cb 0.53 -0.41 0.04 0.00 -0.02 0.00 0.00 39.34 39.48 1klj n TYR 133 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1klj n PRO 134 N 1.25 1.69 -1.78 -0.72 -0.04 -1.26 -4.89 135.00 129.25 1klj n PRO 134 Ca 0.24 0.62 -0.38 0.00 -0.04 0.00 0.00 63.50 63.94 1klj n PRO 134 Cb 0.49 -2.53 0.05 0.00 -0.04 0.00 0.00 33.50 31.48 1klj n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1klj n GLY 136 N 0.78 0.42 3.55 0.00 0.00 -1.26 -4.99 105.19 103.69 1klj n GLY 136 Ca 0.13 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1klj n GLY 136 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1klj s LYS 137 N -1.32 2.91 -0.67 1.61 2.47 -1.09 -5.08 119.74 118.57 1klj s LYS 137 Ca 0.00 -0.56 -0.11 0.00 -1.56 0.00 0.00 55.97 53.74 1klj s LYS 137 Cb 0.00 -2.63 0.17 0.00 -1.46 0.00 0.00 37.83 33.91 1klj s LYS 137 CO 0.00 0.58 0.57 0.42 0.16 0.00 0.00 175.35 177.08 1klj s ILE 138 N -0.57 4.85 0.13 5.43 1.01 -1.26 -4.89 121.20 125.90 1klj s ILE 138 Ca 0.08 -2.30 -0.23 0.00 0.00 0.00 0.00 60.65 58.21 1klj s ILE 138 Cb -0.12 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1klj s ILE 138 CO 0.02 -0.92 1.22 -2.65 0.00 0.00 0.00 174.94 172.61 1klj n PRO 139 N 4.24 -0.33 -0.27 2.79 -0.02 -1.26 -0.69 135.00 139.47 1klj n PRO 139 Ca 0.04 1.20 0.20 0.00 -2.02 0.00 0.00 63.50 62.92 1klj n PRO 139 Cb 0.43 -1.76 0.51 0.00 -0.02 0.00 0.00 33.50 32.65 1klj n PRO 139 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1klj h ILE 140 N 0.00 0.63 0.11 4.25 -0.00 -1.97 0.21 117.51 120.75 1klj h ILE 140 Ca 0.15 -0.14 -0.31 0.00 -0.00 0.00 0.00 64.86 64.56 1klj h ILE 140 Cb 0.35 0.19 -0.01 0.00 -0.00 0.00 0.00 36.82 37.35 1klj h ILE 140 CO -0.75 0.07 -1.60 -0.07 -0.00 0.00 0.00 178.15 175.80 1klj h LEU 141 N 0.40 0.37 0.29 2.19 3.38 -1.24 -3.32 115.31 117.38 1klj h LEU 141 Ca 0.51 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1klj h LEU 141 Cb 1.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1klj h LEU 141 CO -0.21 1.47 -0.14 -0.08 0.09 0.00 0.00 178.44 179.57 1klj h GLU 142 N 0.06 -0.37 0.00 1.13 4.57 0.06 -1.60 114.58 118.43 1klj h GLU 142 Ca -0.27 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1klj h GLU 142 Cb 2.02 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.70 1klj h GLU 142 CO 0.15 -0.12 0.00 1.63 -1.18 0.00 0.00 179.01 179.49 1klj n LYS 143 N -5.17 0.23 -0.92 1.92 5.02 0.65 -5.06 118.16 114.82 1klj n LYS 143 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1klj n LYS 143 Cb 0.23 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1klj n LYS 143 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42