#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odx h LYS 95 N 0.00 -0.49 0.00 0.03 5.09 -1.98 -3.47 116.57 115.75 2odx h LYS 95 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.77 2odx h LYS 95 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.44 2odx h LYS 95 CO 0.00 -0.31 0.00 -3.47 -2.09 0.00 0.00 179.45 173.58 2odx n ASP 96 N -5.11 0.00 -0.10 7.07 2.03 -1.26 -5.06 116.55 114.12 2odx n ASP 96 Ca -0.07 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.04 2odx n ASP 96 Cb 0.21 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.50 2odx n ASP 96 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2odx h PRO 97 N 0.00 0.00 -3.15 -0.67 0.13 -1.92 -3.49 132.00 122.90 2odx h PRO 97 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 2odx h PRO 97 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 2odx h PRO 97 CO 0.00 0.95 -0.42 0.42 -0.23 0.00 0.00 178.00 178.73 2odx s ILE 98 N -2.34 0.01 -0.11 -3.56 -1.09 -1.26 -5.04 121.20 107.82 2odx s ILE 98 Ca -0.27 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2odx s ILE 98 Cb 0.05 -0.38 -0.00 0.00 -1.58 0.00 0.00 42.46 40.55 2odx s ILE 98 CO 0.58 -0.06 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.38 2odx s ILE 99 N -0.13 2.15 -0.42 2.92 -1.09 -1.26 -0.43 121.20 122.94 2odx s ILE 99 Ca -0.02 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 2odx s ILE 99 Cb -0.03 -1.83 0.11 0.00 -1.58 0.00 0.00 42.46 39.14 2odx s ILE 99 CO 0.01 0.56 0.19 -0.63 -1.23 0.00 0.00 174.94 173.84 2odx s ILE 100 N 0.40 3.02 -0.64 2.92 -1.09 0.18 -4.97 121.20 121.01 2odx s ILE 100 Ca -0.17 -2.33 -0.26 0.00 -2.23 0.00 0.00 60.65 55.66 2odx s ILE 100 Cb -0.18 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 2odx s ILE 100 CO 0.08 -0.70 1.79 -0.70 -1.23 0.00 0.00 174.94 174.18 2odx s GLU 101 N 0.84 2.70 -0.20 2.79 2.12 -1.26 -3.89 118.70 121.79 2odx s GLU 101 Ca 0.11 0.47 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 2odx s GLU 101 Cb -0.22 -4.39 -0.11 0.00 0.26 0.00 0.00 34.13 29.67 2odx s GLU 101 CO -0.05 -2.68 -0.21 -1.13 -0.54 0.00 0.00 175.26 170.65 2odx n SER 102 N 12.36 2.12 0.00 -1.70 3.41 -1.26 -5.02 113.62 123.53 2odx n SER 102 Ca 0.19 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2odx n SER 102 Cb 0.52 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2odx n SER 102 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2odx n TYR 103 N -3.39 0.00 -4.13 7.33 4.02 -1.26 -4.98 117.16 114.75 2odx n TYR 103 Ca -0.37 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.36 2odx n TYR 103 Cb 0.84 -0.76 -0.12 0.00 -0.02 0.00 0.00 39.34 39.28 2odx n TYR 103 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2odx s ASP 104 N -2.01 1.38 0.56 7.72 1.11 -1.26 -4.78 116.67 119.38 2odx s ASP 104 Ca 0.00 -0.60 0.28 0.00 0.18 0.00 0.00 52.55 52.41 2odx s ASP 104 Cb 0.00 -0.02 1.47 0.00 1.07 0.00 0.00 42.92 45.44 2odx s ASP 104 CO 0.00 -0.13 1.94 0.44 1.18 0.00 0.00 175.17 178.60 2odx h ASP 105 N 4.33 0.00 0.00 0.27 5.19 -1.85 -3.20 116.42 121.16 2odx h ASP 105 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2odx h ASP 105 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2odx h ASP 105 CO 0.41 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 176.48 2odx n TYR 106 N -4.04 0.00 -0.42 4.55 0.18 -1.26 -0.26 117.16 115.91 2odx n TYR 106 Ca 0.11 -0.41 -0.28 0.00 1.88 0.00 0.00 57.90 59.20 2odx n TYR 106 Cb 0.69 -0.06 0.24 0.00 -0.38 0.00 0.00 39.34 39.84 2odx n TYR 106 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2odx n ARG 107 N -0.49 -3.25 -2.80 -3.48 1.74 -1.21 -4.91 116.66 102.26 2odx n ARG 107 Ca 0.03 -0.95 -0.20 0.00 -0.77 0.00 0.00 57.85 55.96 2odx n ARG 107 Cb 0.43 -1.86 0.03 0.00 -1.02 0.00 0.00 32.46 30.04 2odx n ARG 107 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2odx s TYR 108 N -2.20 2.89 0.01 -1.55 1.13 -1.26 -4.42 117.35 111.95 2odx s TYR 108 Ca 0.60 -0.11 0.06 0.00 -1.41 0.00 0.00 57.07 56.21 2odx s TYR 108 Cb -0.15 -2.58 -0.03 0.00 -1.10 0.00 0.00 41.96 38.10 2odx s TYR 108 CO 0.56 -0.67 -0.18 0.54 -2.51 0.00 0.00 175.55 173.29 2odx s VAL 109 N -2.61 2.75 -0.48 -3.49 0.11 0.72 -4.93 120.40 112.48 2odx s VAL 109 Ca 0.55 -1.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.43 2odx s VAL 109 Cb -0.10 -2.11 0.11 0.00 -1.53 0.00 0.00 36.38 32.75 2odx s VAL 109 CO 0.37 0.43 0.37 -0.83 -3.33 0.00 0.00 175.10 172.11 2odx s GLY 110 N -1.15 2.04 0.01 6.54 0.00 -1.26 -1.68 107.32 111.82 2odx s GLY 110 Ca 0.13 -2.43 0.02 0.00 0.00 0.00 0.00 44.72 42.44 2odx s GLY 110 CO 0.03 1.10 0.01 0.00 0.00 0.00 0.00 173.10 174.25 2odx n THR 112 N 1.24 2.08 0.00 0.00 -2.24 -1.26 -1.52 114.28 112.57 2odx n THR 112 Ca -0.14 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 2odx n THR 112 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2odx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2odx n GLY 113 N 0.75 1.70 0.00 3.38 0.00 -1.26 -1.05 105.19 108.72 2odx n GLY 113 Ca 0.25 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2odx n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2odx n SER 114 N 0.00 0.00 -2.94 1.61 7.64 -1.26 -4.80 113.62 113.86 2odx n SER 114 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2odx n SER 114 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2odx n SER 114 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2odx n PRO 115 N 0.00 2.42 -2.61 1.43 -0.04 -1.26 -3.98 135.00 130.96 2odx n PRO 115 Ca 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 63.50 61.92 2odx n PRO 115 Cb 0.00 -2.41 0.05 0.00 -0.04 0.00 0.00 33.50 31.10 2odx n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2odx n ALA 116 N 3.60 -0.55 -1.92 0.55 0.00 -1.26 -5.04 120.51 115.89 2odx n ALA 116 Ca 0.52 -0.79 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 2odx n ALA 116 Cb 0.30 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 2odx n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2odx n GLY 117 N -0.59 0.60 0.16 0.00 0.00 -1.26 -4.82 105.19 99.29 2odx n GLY 117 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2odx n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2odx h SER 118 N 0.00 0.76 0.00 1.61 0.02 -1.28 -3.47 113.55 111.19 2odx h SER 118 Ca -0.36 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 2odx h SER 118 Cb 1.18 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2odx h SER 118 CO 0.48 1.49 0.00 0.00 -1.14 0.00 0.00 176.83 177.66 2odx n HIS 119 N -3.95 0.00 0.00 3.45 1.44 -0.31 -5.03 115.22 110.83 2odx n HIS 119 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 2odx n HIS 119 Cb 0.88 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.99 2odx n HIS 119 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 2odx n THR 120 N 0.00 0.00 -4.97 0.61 5.66 -1.26 -4.96 114.28 109.37 2odx n THR 120 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2odx n THR 120 Cb 0.00 -0.65 -0.14 0.00 -1.55 0.00 0.00 70.33 67.99 2odx n THR 120 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2odx s ILE 121 N 0.00 2.85 0.09 1.09 1.10 -1.26 -4.16 121.20 120.91 2odx s ILE 121 Ca 0.00 -0.80 0.04 0.00 -0.51 0.00 0.00 60.65 59.39 2odx s ILE 121 Cb 0.00 -2.10 -0.03 0.00 0.15 0.00 0.00 42.46 40.47 2odx s ILE 121 CO 0.00 0.58 -0.12 -0.04 -2.11 0.00 0.00 174.94 173.25 2odx s MET 122 N -0.57 0.85 -0.36 3.50 -1.94 -0.58 -5.00 119.30 115.19 2odx s MET 122 Ca 0.08 -1.09 0.02 0.00 -1.71 0.00 0.00 55.69 53.00 2odx s MET 122 Cb -0.11 -0.66 0.10 0.00 2.01 0.00 0.00 34.83 36.17 2odx s MET 122 CO 0.01 0.12 0.10 -1.58 -0.01 0.00 0.00 175.02 173.66 2odx s TRP 123 N -1.99 3.71 0.30 -0.03 0.23 -1.25 -2.98 118.94 116.91 2odx s TRP 123 Ca 0.03 -2.88 0.08 0.00 -2.03 0.00 0.00 56.10 51.30 2odx s TRP 123 Cb -0.06 -3.00 -0.04 0.00 0.03 0.00 0.00 33.47 30.41 2odx s TRP 123 CO 0.01 -0.95 0.15 -0.51 0.96 0.00 0.00 176.95 176.61 2odx s LEU 124 N 0.91 3.45 -0.65 2.99 1.43 -0.68 -4.87 118.68 121.26 2odx s LEU 124 Ca 0.11 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2odx s LEU 124 Cb -0.20 -1.98 0.21 0.00 0.03 0.00 0.00 46.19 44.25 2odx s LEU 124 CO -0.07 -0.16 0.62 0.29 0.23 0.00 0.00 176.35 177.25 2odx n LYS 125 N -1.13 2.06 -0.75 1.70 5.02 -1.26 -0.20 118.16 123.59 2odx n LYS 125 Ca -0.05 -4.47 -0.11 0.00 -2.02 0.00 0.00 58.31 51.66 2odx n LYS 125 Cb 0.59 -2.19 0.03 0.00 -0.02 0.00 0.00 35.03 33.44 2odx n LYS 125 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2odx n PRO 126 N 1.41 1.54 -0.49 1.97 -0.04 -1.26 -4.41 135.00 133.72 2odx n PRO 126 Ca 0.25 -1.06 -0.15 0.00 -0.04 0.00 0.00 63.50 62.50 2odx n PRO 126 Cb 0.39 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2odx n PRO 126 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2odx n THR 127 N 0.68 0.00 -0.35 0.52 -1.04 -1.26 -0.35 114.28 112.48 2odx n THR 127 Ca 0.20 -0.20 0.24 0.00 -2.04 0.00 0.00 64.05 62.25 2odx n THR 127 Cb 0.57 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.56 2odx n THR 127 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2odx h VAL 128 N -0.05 0.35 -0.00 12.58 3.04 -0.85 0.26 116.25 131.58 2odx h VAL 128 Ca -0.17 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2odx h VAL 128 Cb 0.57 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2odx h VAL 128 CO 0.16 0.06 -0.06 0.59 -1.01 0.00 0.00 177.57 177.31 2odx n ASN 129 N -4.92 0.09 0.00 3.17 3.02 -1.26 -4.77 115.26 110.59 2odx n ASN 129 Ca 0.31 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 2odx n ASN 129 Cb 0.98 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 2odx n ASN 129 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2odx n GLU 130 N -1.41 0.77 -3.54 3.52 1.02 0.93 -5.17 120.64 116.76 2odx n GLU 130 Ca 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 2odx n GLU 130 Cb 0.31 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.68 2odx n GLU 130 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2odx s VAL 131 N -0.53 0.02 -0.02 2.62 -7.23 -1.26 -4.57 120.40 109.43 2odx s VAL 131 Ca 0.00 -0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.00 2odx s VAL 131 Cb 0.00 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.97 2odx s VAL 131 CO 0.00 -0.07 0.07 0.00 -0.31 0.00 0.00 175.10 174.79 2odx s ALA 132 N -2.12 -0.17 -0.07 1.32 0.00 -0.69 -4.72 121.76 115.30 2odx s ALA 132 Ca -0.07 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 2odx s ALA 132 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2odx s ALA 132 CO 0.01 -0.09 0.15 0.50 0.00 0.00 0.00 175.76 176.33 2odx s ARG 133 N -0.47 3.41 0.89 0.00 3.52 -1.26 -0.55 118.95 124.49 2odx s ARG 133 Ca -0.05 -0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.21 2odx s ARG 133 Cb -0.03 -3.13 0.13 0.00 -1.56 0.00 0.00 34.95 30.36 2odx s ARG 133 CO 0.00 0.73 1.16 0.00 -0.81 0.00 0.00 175.30 176.39 2odx n TRP 135 N -4.04 0.00 0.00 0.00 4.27 -1.26 -4.24 117.44 112.17 2odx n TRP 135 Ca 0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 2odx n TRP 135 Cb 0.52 -0.11 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 2odx n TRP 135 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 2odx n GLU 136 N -1.60 0.00 0.13 -2.67 -0.58 -1.26 -4.66 120.64 110.01 2odx n GLU 136 Ca 0.01 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.88 2odx n GLU 136 Cb 0.32 -0.08 0.45 0.00 -0.57 0.00 0.00 31.44 31.57 2odx n GLU 136 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2odx n GLY 138 N 0.60 1.31 3.77 0.00 0.00 -1.26 -4.90 105.19 104.72 2odx n GLY 138 Ca 0.04 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2odx n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2odx s SER 139 N -2.76 6.47 0.28 1.61 1.04 -1.26 -4.71 113.70 114.36 2odx s SER 139 Ca 0.00 2.66 -0.28 0.00 0.48 0.00 0.00 55.95 58.80 2odx s SER 139 Cb 0.00 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 2odx s SER 139 CO 0.00 -0.74 0.97 -0.69 0.98 0.00 0.00 173.24 173.76 2odx s VAL 140 N -1.23 4.02 0.21 5.02 1.01 -1.26 -1.50 120.40 126.66 2odx s VAL 140 Ca 0.54 1.88 0.10 0.00 0.00 0.00 0.00 61.98 64.50 2odx s VAL 140 Cb -0.38 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2odx s VAL 140 CO 0.50 0.33 -0.20 -0.31 0.00 0.00 0.00 175.10 175.42 2odx s TYR 141 N -1.35 2.06 0.05 5.22 1.51 0.29 -4.16 117.35 120.97 2odx s TYR 141 Ca 0.46 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2odx s TYR 141 Cb -0.24 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 2odx s TYR 141 CO 0.30 0.48 -0.07 0.21 -1.11 0.00 0.00 175.55 175.36 2odx s LYS 142 N -3.03 0.57 0.38 -0.62 2.20 0.43 -1.70 119.74 117.97 2odx s LYS 142 Ca 0.21 -0.89 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2odx s LYS 142 Cb -0.06 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 2odx s LYS 142 CO 0.10 0.01 0.17 -1.17 -0.36 0.00 0.00 175.35 174.11 2odx s LEU 143 N -1.96 3.21 0.28 5.43 0.20 0.53 -0.65 118.68 125.72 2odx s LEU 143 Ca -0.05 -0.89 0.06 0.00 0.69 0.00 0.00 54.13 53.94 2odx s LEU 143 Cb -0.06 -1.64 -0.06 0.00 -0.43 0.00 0.00 46.19 44.00 2odx s LEU 143 CO -0.01 -0.42 -0.03 0.54 -0.29 0.00 0.00 176.35 176.13 2odx s ASN 144 N -3.89 2.63 0.00 3.68 2.20 -1.25 -4.49 114.94 113.81 2odx s ASN 144 Ca 0.40 -1.22 0.20 0.00 -0.94 0.00 0.00 52.86 51.30 2odx s ASN 144 Cb -0.00 -0.14 1.07 0.00 -2.00 0.00 0.00 41.25 40.18 2odx s ASN 144 CO 0.23 -0.40 1.64 -0.81 -2.94 0.00 0.00 177.10 174.82 2odx n PRO 145 N -0.59 0.37 -1.48 3.55 -0.04 -1.26 -4.69 135.00 130.86 2odx n PRO 145 Ca -0.05 0.07 -0.46 0.00 -0.04 0.00 0.00 63.50 63.02 2odx n PRO 145 Cb 0.64 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2odx n PRO 145 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2odx n VAL 146 N -1.22 1.97 -1.78 0.52 3.14 -1.26 -4.96 118.33 114.73 2odx n VAL 146 Ca 0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 2odx n VAL 146 Cb 0.14 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 2odx n VAL 146 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98