#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 -0.41 0.00 0.03 5.09 -2.01 -3.47 116.57 115.80 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 0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.42 2odx h LYS 95 CO 0.00 -0.27 0.00 -3.47 -2.09 0.00 0.00 179.45 173.62 2odx n ASP 96 N -4.50 0.00 -0.10 7.07 2.03 -1.26 -5.10 116.55 114.69 2odx n ASP 96 Ca -0.05 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.06 2odx n ASP 96 Cb 0.26 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.55 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 -2.47 -0.67 0.13 -1.90 -3.49 132.00 123.60 2odx h PRO 97 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 2odx h PRO 97 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2odx h PRO 97 CO 0.00 0.94 -0.08 0.42 -0.23 0.00 0.00 178.00 179.05 2odx s ILE 98 N -2.34 0.01 -0.05 -3.56 -1.09 -1.26 -5.05 121.20 107.86 2odx s ILE 98 Ca -0.27 -0.06 0.06 0.00 -2.23 0.00 0.00 60.65 58.15 2odx s ILE 98 Cb 0.05 -0.76 -0.02 0.00 -1.58 0.00 0.00 42.46 40.16 2odx s ILE 98 CO 0.57 -0.03 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.40 2odx s ILE 99 N -0.09 2.34 -0.19 2.92 -1.09 -1.26 -0.44 121.20 123.40 2odx s ILE 99 Ca -0.03 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 2odx s ILE 99 Cb -0.03 -1.86 0.05 0.00 -1.58 0.00 0.00 42.46 39.03 2odx s ILE 99 CO 0.02 0.58 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.64 2odx s ILE 100 N -0.42 1.11 0.01 2.92 -1.09 0.06 -4.92 121.20 118.86 2odx s ILE 100 Ca 0.04 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.39 2odx s ILE 100 Cb -0.12 -1.37 -0.06 0.00 -1.58 0.00 0.00 42.46 39.33 2odx s ILE 100 CO 0.01 0.01 1.45 -1.61 -1.23 0.00 0.00 174.94 173.57 2odx s GLU 101 N 1.61 4.27 -0.36 2.79 2.02 -1.26 -3.47 118.70 124.30 2odx s GLU 101 Ca -0.01 2.03 0.02 0.00 0.02 0.00 0.00 54.97 57.02 2odx s GLU 101 Cb -0.17 -3.59 0.15 0.00 0.10 0.00 0.00 34.13 30.63 2odx s GLU 101 CO -0.07 -0.61 0.31 0.45 0.02 0.00 0.00 175.26 175.36 2odx s SER 102 N 2.00 1.82 -1.35 -0.19 0.15 -1.26 -4.98 113.70 109.89 2odx s SER 102 Ca 0.66 -1.77 -0.12 0.00 0.70 0.00 0.00 55.95 55.42 2odx s SER 102 Cb -0.33 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 2odx s SER 102 CO 0.27 -0.28 2.47 -1.22 1.20 0.00 0.00 173.24 175.68 2odx n TYR 103 N 4.20 2.48 -0.22 3.44 4.02 -1.24 -2.67 117.16 127.18 2odx n TYR 103 Ca 0.11 -2.70 0.00 0.00 -0.01 0.00 0.00 57.90 55.30 2odx n TYR 103 Cb 0.42 -2.27 0.00 0.00 -0.02 0.00 0.00 39.34 37.48 2odx n TYR 103 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2odx n ASP 104 N 4.89 0.00 0.00 7.72 8.00 -1.26 -4.95 116.55 130.95 2odx n ASP 104 Ca 0.61 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2odx n ASP 104 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2odx n ASP 104 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2odx n ASP 105 N 0.00 0.00 -0.79 -2.24 8.00 -1.09 -4.65 116.55 115.79 2odx n ASP 105 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2odx n ASP 105 Cb 0.00 -1.30 -0.01 0.00 -0.02 0.00 0.00 41.12 39.79 2odx n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2odx n TYR 106 N -2.00 0.00 -1.61 1.24 0.18 -1.26 -0.16 117.16 113.56 2odx n TYR 106 Ca 0.00 -0.21 -0.38 0.00 1.88 0.00 0.00 57.90 59.20 2odx n TYR 106 Cb 0.00 0.18 0.05 0.00 -0.38 0.00 0.00 39.34 39.20 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 0.08 0.84 -1.70 -3.48 5.12 -1.26 -4.82 116.66 111.44 2odx n ARG 107 Ca -0.06 0.33 -0.31 0.00 -1.93 0.00 0.00 57.85 55.88 2odx n ARG 107 Cb 0.70 -2.14 0.05 0.00 -1.16 0.00 0.00 32.46 29.90 2odx n ARG 107 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2odx s TYR 108 N -1.54 3.23 0.04 -1.55 -0.85 -1.26 -3.97 117.35 111.45 2odx s TYR 108 Ca 0.76 1.28 0.06 0.00 -0.52 0.00 0.00 57.07 58.64 2odx s TYR 108 Cb -0.41 -2.91 -0.03 0.00 0.38 0.00 0.00 41.96 38.98 2odx s TYR 108 CO 0.47 -1.18 -0.13 0.54 -1.52 0.00 0.00 175.55 173.73 2odx s VAL 109 N -3.15 3.19 -0.37 -3.49 0.11 0.68 -4.95 120.40 112.42 2odx s VAL 109 Ca 0.58 -1.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 2odx s VAL 109 Cb -0.13 -2.39 -0.00 0.00 -1.53 0.00 0.00 36.38 32.33 2odx s VAL 109 CO 0.54 0.32 0.28 -0.83 -3.33 0.00 0.00 175.10 172.08 2odx s GLY 110 N -1.57 1.97 -0.16 6.54 0.00 -1.26 -1.35 107.32 111.50 2odx s GLY 110 Ca 0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 44.72 43.36 2odx s GLY 110 CO 0.08 0.86 -0.06 0.00 0.00 0.00 0.00 173.10 173.97 2odx n THR 112 N 3.71 2.85 0.00 0.00 -2.24 -1.26 -0.66 114.28 116.67 2odx n THR 112 Ca -0.18 -3.05 0.00 0.00 -2.27 0.00 0.00 64.05 58.55 2odx n THR 112 Cb 0.52 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.99 2.44 0.00 3.38 0.00 -1.26 -0.14 105.19 108.62 2odx n GLY 113 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2odx n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2odx n SER 114 N 0.92 0.00 0.16 1.61 3.41 -1.26 -4.82 113.62 113.64 2odx n SER 114 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2odx n SER 114 Cb 0.00 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.52 2odx n SER 114 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2odx h PRO 115 N 0.00 0.00 -2.12 4.33 0.13 -2.03 -3.24 132.00 129.07 2odx h PRO 115 Ca 0.00 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.36 2odx h PRO 115 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2odx h PRO 115 CO 0.00 0.00 0.89 0.00 -0.23 0.00 0.00 178.00 178.66 2odx n ALA 116 N -1.79 6.15 -1.54 -0.56 0.00 -1.26 -4.95 120.51 116.56 2odx n ALA 116 Ca 0.00 -4.40 -0.16 0.00 0.00 0.00 0.00 53.44 48.88 2odx n ALA 116 Cb 0.12 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 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 -0.29 1.37 0.19 0.00 0.00 -1.22 -4.79 105.19 100.45 2odx n GLY 117 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.00 1.61 0.02 -0.76 -2.71 113.55 111.70 2odx h SER 118 Ca -0.33 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.50 2odx h SER 118 Cb 1.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2odx h SER 118 CO 0.48 0.37 -1.73 0.00 -1.14 0.00 0.00 176.83 174.82 2odx n HIS 119 N -3.61 0.00 0.00 3.45 1.44 -1.26 -5.00 115.22 110.24 2odx n HIS 119 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2odx n HIS 119 Cb 0.49 -0.46 0.00 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.22 0.00 -4.47 0.61 5.66 -1.03 -5.11 114.28 107.72 2odx n THR 120 Ca -0.12 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.67 2odx n THR 120 Cb 0.64 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.21 1.05 0.10 1.09 1.10 -1.26 -4.26 121.20 118.81 2odx s ILE 121 Ca 0.00 -0.76 0.02 0.00 -0.51 0.00 0.00 60.65 59.40 2odx s ILE 121 Cb 0.00 -0.92 -0.04 0.00 0.15 0.00 0.00 42.46 41.65 2odx s ILE 121 CO 0.00 0.15 -0.07 -0.04 -2.11 0.00 0.00 174.94 172.87 2odx s MET 122 N -0.70 0.86 -0.19 3.50 -1.94 0.17 -5.00 119.30 116.00 2odx s MET 122 Ca 0.03 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 2odx s MET 122 Cb -0.06 -0.29 0.05 0.00 2.01 0.00 0.00 34.83 36.53 2odx s MET 122 CO 0.00 0.00 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.37 2odx s TRP 123 N -3.44 2.08 0.25 -0.03 0.52 -1.26 -1.51 118.94 115.55 2odx s TRP 123 Ca 0.11 -1.39 0.10 0.00 0.02 0.00 0.00 56.10 54.94 2odx s TRP 123 Cb 0.04 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 2odx s TRP 123 CO -0.03 -0.69 -0.18 -0.51 0.02 0.00 0.00 176.95 175.55 2odx s LEU 124 N 1.51 2.57 -0.59 2.99 1.43 -0.46 -4.93 118.68 121.19 2odx s LEU 124 Ca -0.01 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.12 2odx s LEU 124 Cb -0.16 -0.93 0.17 0.00 0.03 0.00 0.00 46.19 45.29 2odx s LEU 124 CO -0.08 -0.04 0.42 -0.75 0.23 0.00 0.00 176.35 176.14 2odx s LYS 125 N -3.51 1.87 1.02 1.70 2.36 -1.26 -0.23 119.74 121.69 2odx s LYS 125 Ca 0.26 -2.85 -0.17 0.00 -2.55 0.00 0.00 55.97 50.67 2odx s LYS 125 Cb -0.03 -2.70 0.22 0.00 -1.05 0.00 0.00 37.83 34.27 2odx s LYS 125 CO 0.11 -1.31 1.26 -1.25 1.55 0.00 0.00 175.35 175.71 2odx s PRO 126 N -0.83 0.17 0.11 4.03 0.04 -1.25 -4.77 135.00 132.50 2odx s PRO 126 Ca 0.27 -0.29 -0.14 0.00 0.04 0.00 0.00 61.00 60.88 2odx s PRO 126 Cb -0.03 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.75 2odx s PRO 126 CO -0.16 -2.75 0.35 0.99 0.04 0.00 0.00 177.00 175.46 2odx s THR 127 N -3.63 0.09 0.26 1.26 2.01 -1.26 -4.36 115.64 110.00 2odx s THR 127 Ca 0.73 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 2odx s THR 127 Cb -0.06 -1.19 0.24 0.00 0.01 0.00 0.00 72.50 71.50 2odx s THR 127 CO 0.54 -0.39 1.78 1.62 -0.69 0.00 0.00 174.62 177.47 2odx h VAL 128 N 2.51 0.79 0.00 3.82 3.04 -0.81 0.12 116.25 125.72 2odx h VAL 128 Ca -0.34 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2odx h VAL 128 Cb 1.24 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2odx h VAL 128 CO 0.49 0.13 0.00 0.59 -1.01 0.00 0.00 177.57 177.76 2odx n ASN 129 N -4.82 0.00 -1.47 3.17 3.02 -1.26 -4.74 115.26 109.16 2odx n ASN 129 Ca 0.16 -0.60 -0.04 0.00 -0.03 0.00 0.00 54.58 54.07 2odx n ASN 129 Cb 0.39 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.10 0.09 -3.68 3.52 1.02 0.40 -5.14 120.64 115.75 2odx n GLU 130 Ca 0.18 -0.69 -0.10 0.00 -0.02 0.00 0.00 57.16 56.53 2odx n GLU 130 Cb 0.14 0.58 -0.05 0.00 -0.02 0.00 0.00 31.44 32.09 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 -2.31 0.07 -0.03 2.62 -7.23 -1.26 -3.99 120.40 108.27 2odx s VAL 131 Ca 0.08 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2odx s VAL 131 Cb 0.00 -1.28 0.03 0.00 0.56 0.00 0.00 36.38 35.69 2odx s VAL 131 CO 0.06 -0.30 0.05 0.00 -0.31 0.00 0.00 175.10 174.60 2odx s ALA 132 N -3.83 0.01 -0.05 1.32 0.00 0.35 -4.72 121.76 114.83 2odx s ALA 132 Ca 0.05 0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 2odx s ALA 132 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2odx s ALA 132 CO -0.10 -0.11 0.48 0.50 0.00 0.00 0.00 175.76 176.53 2odx s ARG 133 N 1.03 4.21 0.78 0.00 3.52 -1.26 -0.14 118.95 127.09 2odx s ARG 133 Ca -0.08 0.51 -0.15 0.00 -0.13 0.00 0.00 55.73 55.88 2odx s ARG 133 Cb -0.12 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 2odx s ARG 133 CO -0.03 0.39 0.85 0.00 -0.81 0.00 0.00 175.30 175.70 2odx h TRP 135 N -0.69 0.00 0.00 0.00 5.08 -1.97 -3.38 115.95 114.99 2odx h TRP 135 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2odx h TRP 135 Cb 1.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 2odx h TRP 135 CO 0.41 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.96 2odx n GLU 136 N -2.34 0.00 0.00 0.12 1.02 -1.26 -4.66 120.64 113.52 2odx n GLU 136 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2odx n GLU 136 Cb 0.49 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.92 2odx n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2odx n GLY 138 N -1.40 0.29 3.77 0.00 0.00 -1.26 -5.01 105.19 101.59 2odx n GLY 138 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2odx n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2odx s SER 139 N -2.29 5.49 -0.10 1.61 0.15 -1.26 -4.79 113.70 112.50 2odx s SER 139 Ca 0.00 2.23 -0.06 0.00 0.70 0.00 0.00 55.95 58.82 2odx s SER 139 Cb 0.00 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2odx s SER 139 CO 0.00 -1.38 0.14 -0.69 1.20 0.00 0.00 173.24 172.50 2odx s VAL 140 N -1.77 5.40 -0.02 4.45 1.01 -1.26 -1.22 120.40 127.00 2odx s VAL 140 Ca 0.74 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2odx s VAL 140 Cb -0.26 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2odx s VAL 140 CO 0.30 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.44 2odx s TYR 141 N -1.07 1.95 0.06 5.22 2.02 0.80 -4.04 117.35 122.28 2odx s TYR 141 Ca 0.17 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.58 2odx s TYR 141 Cb -0.12 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 2odx s TYR 141 CO 0.06 -0.05 -0.25 0.21 -1.57 0.00 0.00 175.55 173.96 2odx s LYS 142 N -0.47 1.58 0.12 -0.62 2.20 0.42 -0.50 119.74 122.47 2odx s LYS 142 Ca 0.07 -1.11 0.03 0.00 -0.36 0.00 0.00 55.97 54.60 2odx s LYS 142 Cb -0.09 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.39 2odx s LYS 142 CO -0.01 0.46 0.16 -1.17 -0.36 0.00 0.00 175.35 174.43 2odx s LEU 143 N -1.41 3.98 0.18 5.43 0.20 -1.26 -0.76 118.68 125.03 2odx s LEU 143 Ca 0.11 0.02 0.08 0.00 0.69 0.00 0.00 54.13 55.03 2odx s LEU 143 Cb -0.10 -2.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 2odx s LEU 143 CO 0.03 0.11 -0.03 0.54 -0.29 0.00 0.00 176.35 176.71 2odx s ASN 144 N -2.82 4.62 0.00 3.68 2.20 -1.23 -4.64 114.94 116.75 2odx s ASN 144 Ca 0.32 -0.45 0.18 0.00 -0.94 0.00 0.00 52.86 51.96 2odx s ASN 144 Cb -0.11 -0.93 0.97 0.00 -2.00 0.00 0.00 41.25 39.18 2odx s ASN 144 CO 0.25 0.09 1.52 -0.81 -2.94 0.00 0.00 177.10 175.21 2odx n PRO 145 N -0.08 0.37 -1.47 3.55 -0.04 -1.26 -4.47 135.00 131.60 2odx n PRO 145 Ca -0.10 0.08 -0.48 0.00 -0.04 0.00 0.00 63.50 62.95 2odx n PRO 145 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.18 1.73 -0.42 0.52 3.14 -1.26 -4.90 118.33 115.97 2odx n VAL 146 Ca 0.10 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2odx n VAL 146 Cb 0.11 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 2odx n VAL 146 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98