#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m36 n LEU 88 N 0.00 0.00 0.31 -0.35 4.77 -1.26 -0.63 117.00 119.84 3m36 n LEU 88 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3m36 n LEU 88 Cb 0.00 0.00 1.06 0.00 -2.33 0.00 0.00 43.42 42.15 3m36 n LEU 88 CO 0.00 0.00 1.16 0.00 -1.33 0.00 0.00 177.39 177.22 3m36 n SER 90 N -3.34 0.80 -4.30 0.00 7.64 0.19 -2.95 113.62 111.66 3m36 n SER 90 Ca -0.02 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.05 3m36 n SER 90 Cb 0.14 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.44 3m36 n SER 90 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3m36 s LEU 91 N -4.58 5.43 -1.58 -3.43 2.96 0.98 -4.62 118.68 113.83 3m36 s LEU 91 Ca 0.08 -1.52 -0.09 0.00 -0.22 0.00 0.00 54.13 52.38 3m36 s LEU 91 Cb 0.11 -2.06 0.08 0.00 0.50 0.00 0.00 46.19 44.82 3m36 s LEU 91 CO 0.53 -0.61 0.49 -0.67 -1.32 0.00 0.00 176.35 174.77 3m36 n ASP 92 N 5.02 -1.29 -2.42 3.68 4.64 -1.26 -0.27 116.55 124.65 3m36 n ASP 92 Ca -0.11 -1.08 -0.14 0.00 -1.38 0.00 0.00 54.79 52.09 3m36 n ASP 92 Cb 0.43 -2.58 -0.01 0.00 -1.04 0.00 0.00 41.12 37.92 3m36 n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3m36 n ASN 93 N -2.81 -4.19 -1.70 1.67 5.15 -1.15 -0.45 115.26 111.77 3m36 n ASN 93 Ca -0.14 0.17 -0.21 0.00 -0.60 0.00 0.00 54.58 53.80 3m36 n ASN 93 Cb 0.60 -3.55 -0.08 0.00 -0.53 0.00 0.00 39.78 36.22 3m36 n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m36 n GLY 94 N -0.83 1.65 2.45 8.20 0.00 0.62 -1.28 105.19 116.01 3m36 n GLY 94 Ca -0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 3m36 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m36 n ASP 95 N -1.44 -4.38 -4.81 1.61 4.64 0.40 -4.98 116.55 107.58 3m36 n ASP 95 Ca -0.21 0.02 -0.33 0.00 -1.38 0.00 0.00 54.79 52.88 3m36 n ASP 95 Cb 0.68 -1.94 -0.03 0.00 -1.04 0.00 0.00 41.12 38.79 3m36 n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3m36 h ASP 97 N 1.26 0.66 0.00 0.00 5.19 -1.75 -3.47 116.42 118.31 3m36 h ASP 97 Ca -0.48 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 55.39 3m36 h ASP 97 Cb 1.20 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3m36 h ASP 97 CO 0.60 1.34 0.00 0.00 -3.12 0.00 0.00 179.24 178.06 3m36 n GLN 98 N -3.77 0.00 -1.79 3.56 6.02 -1.26 -5.01 117.38 115.13 3m36 n GLN 98 Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 3m36 n GLN 98 Cb 0.86 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.12 3m36 n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3m36 s PHE 99 N 2.47 2.63 -0.04 1.08 0.08 -0.86 -4.89 117.98 118.45 3m36 s PHE 99 Ca 0.00 1.04 -0.01 0.00 0.12 0.00 0.00 56.93 58.08 3m36 s PHE 99 Cb 0.00 -4.04 0.03 0.00 -0.57 0.00 0.00 43.02 38.43 3m36 s PHE 99 CO 0.00 -3.21 0.04 0.00 -0.10 0.00 0.00 175.22 171.96 3m36 s HIS 101 N 1.91 1.28 -0.15 0.00 -3.43 -0.93 -4.99 115.29 108.97 3m36 s HIS 101 Ca 0.02 -0.98 -0.02 0.00 -0.80 0.00 0.00 55.06 53.29 3m36 s HIS 101 Cb -0.12 -0.72 -0.02 0.00 -1.43 0.00 0.00 32.58 30.29 3m36 s HIS 101 CO -0.03 -0.15 -0.09 -1.21 -2.00 0.00 0.00 174.74 171.25 3m36 s GLU 102 N -3.89 3.45 -0.06 -0.38 2.02 -1.26 -1.45 118.70 117.14 3m36 s GLU 102 Ca 0.24 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.62 3m36 s GLU 102 Cb 0.06 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.53 3m36 s GLU 102 CO 0.04 0.14 -0.12 -1.21 0.02 0.00 0.00 175.26 174.14 3m36 s GLU 103 N 0.56 1.61 -1.48 1.61 2.02 0.29 -4.71 118.70 118.60 3m36 s GLU 103 Ca -0.06 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 3m36 s GLU 103 Cb -0.15 -1.35 0.02 0.00 0.10 0.00 0.00 34.13 32.75 3m36 s GLU 103 CO 0.03 0.05 0.52 1.04 0.02 0.00 0.00 175.26 176.92 3m36 n GLN 104 N 3.72 -4.25 -3.16 1.61 3.00 -1.26 -0.71 117.38 116.32 3m36 n GLN 104 Ca -0.22 0.79 -0.23 0.00 -0.01 0.00 0.00 57.00 57.33 3m36 n GLN 104 Cb 0.52 -5.60 0.04 0.00 0.00 0.00 0.00 30.24 25.20 3m36 n GLN 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3m36 n ASN 105 N -2.41 -5.90 -4.18 1.08 5.15 -1.26 -4.99 115.26 102.76 3m36 n ASN 105 Ca -0.10 -0.35 -0.12 0.00 -0.60 0.00 0.00 54.58 53.42 3m36 n ASN 105 Cb 0.60 -4.75 -0.10 0.00 -0.53 0.00 0.00 39.78 35.00 3m36 n ASN 105 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3m36 s SER 106 N -2.81 1.26 0.05 1.20 0.15 0.11 -5.08 113.70 108.57 3m36 s SER 106 Ca 0.36 -0.95 -0.25 0.00 0.70 0.00 0.00 55.95 55.81 3m36 s SER 106 Cb -0.17 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 3m36 s SER 106 CO 0.45 -0.40 0.78 -0.69 1.20 0.00 0.00 173.24 174.58 3m36 s VAL 107 N -3.28 4.72 -0.09 4.45 1.01 -1.26 -0.54 120.40 125.41 3m36 s VAL 107 Ca 0.10 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 3m36 s VAL 107 Cb 0.03 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3m36 s VAL 107 CO -0.03 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 174.69 3m36 s VAL 108 N -0.03 0.73 0.15 2.92 1.01 -0.53 -4.90 120.40 119.76 3m36 s VAL 108 Ca 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 3m36 s VAL 108 Cb -0.21 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3m36 s VAL 108 CO 0.23 0.32 0.36 0.00 0.00 0.00 0.00 175.10 176.00 3m36 s SER 110 N -2.75 0.06 0.26 0.00 1.04 -0.67 -4.94 113.70 106.71 3m36 s SER 110 Ca 0.39 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 55.75 3m36 s SER 110 Cb -0.12 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 3m36 s SER 110 CO 0.27 -1.08 0.03 0.00 0.98 0.00 0.00 173.24 173.44 3m36 s ALA 112 N -3.44 2.52 0.30 0.00 0.00 -1.26 -4.94 121.76 114.93 3m36 s ALA 112 Ca 0.33 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 3m36 s ALA 112 Cb 0.07 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.07 3m36 s ALA 112 CO 0.12 -1.63 1.42 1.03 0.00 0.00 0.00 175.76 176.70 3m36 s ARG 113 N -5.40 4.26 0.00 0.00 0.52 -1.26 -2.36 118.95 114.70 3m36 s ARG 113 Ca 0.61 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 58.16 3m36 s ARG 113 Cb -0.12 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.28 3m36 s ARG 113 CO 0.51 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.86 3m36 n GLY 114 N 1.48 0.48 3.27 -3.53 0.00 -1.26 -4.66 105.19 100.97 3m36 n GLY 114 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3m36 n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m36 s TYR 115 N -2.00 1.81 -0.05 1.61 2.02 -1.00 -1.28 117.35 118.47 3m36 s TYR 115 Ca 0.00 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.36 3m36 s TYR 115 Cb 0.00 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3m36 s TYR 115 CO 0.00 0.16 -0.22 0.99 -1.57 0.00 0.00 175.55 174.91 3m36 s THR 116 N -1.00 2.32 0.10 -0.71 2.01 0.23 -4.79 115.64 113.80 3m36 s THR 116 Ca 0.07 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 3m36 s THR 116 Cb -0.09 -1.85 -0.08 0.00 0.01 0.00 0.00 72.50 70.48 3m36 s THR 116 CO 0.03 0.57 1.41 -0.22 -0.69 0.00 0.00 174.62 175.73 3m36 s LEU 117 N -0.36 4.36 1.07 4.42 2.96 -1.26 -0.46 118.68 129.41 3m36 s LEU 117 Ca 0.03 2.31 -0.13 0.00 -0.22 0.00 0.00 54.13 56.12 3m36 s LEU 117 Cb -0.12 -3.58 0.23 0.00 0.50 0.00 0.00 46.19 43.21 3m36 s LEU 117 CO 0.02 -0.68 1.07 0.00 -1.32 0.00 0.00 176.35 175.44 3m36 s ALA 118 N 1.36 0.36 0.45 5.97 0.00 0.19 -4.85 121.76 125.25 3m36 s ALA 118 Ca 0.65 -0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.47 3m36 s ALA 118 Cb -0.36 -3.17 1.02 0.00 0.00 0.00 0.00 23.12 20.60 3m36 s ALA 118 CO 0.30 -3.26 2.07 -0.44 0.00 0.00 0.00 175.76 174.43 3m36 h ASP 119 N -2.20 0.21 0.22 0.00 3.45 -1.94 0.46 116.42 116.61 3m36 h ASP 119 Ca -0.57 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.87 3m36 h ASP 119 Cb 1.33 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3m36 h ASP 119 CO 0.55 0.20 0.00 -0.46 -1.57 0.00 0.00 179.24 177.96 3m36 n ASN 120 N -4.46 0.00 -1.19 6.45 0.23 -1.26 -4.85 115.26 110.19 3m36 n ASN 120 Ca -0.00 -0.32 -0.14 0.00 -0.53 0.00 0.00 54.58 53.59 3m36 n ASN 120 Cb 0.12 -0.16 -0.05 0.00 -2.08 0.00 0.00 39.78 37.61 3m36 n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3m36 n GLY 121 N 0.44 1.19 1.33 4.83 0.00 0.15 -4.83 105.19 108.31 3m36 n GLY 121 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3m36 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m36 n LYS 122 N -2.55 0.00 -1.79 1.61 5.02 -1.26 -4.10 118.16 115.09 3m36 n LYS 122 Ca -0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.82 3m36 n LYS 122 Cb 0.50 -0.33 0.04 0.00 -0.02 0.00 0.00 35.03 35.21 3m36 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m36 s ALA 123 N -2.00 2.61 -0.19 7.82 0.00 -1.26 -2.12 121.76 126.61 3m36 s ALA 123 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 3m36 s ALA 123 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.89 3m36 s ALA 123 CO 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 175.76 174.50 3m36 s ILE 125 N 1.33 4.07 0.52 0.00 1.01 0.39 -4.87 121.20 123.66 3m36 s ILE 125 Ca 0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 3m36 s ILE 125 Cb -0.13 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.49 3m36 s ILE 125 CO -0.09 0.50 1.16 -2.84 0.00 0.00 0.00 174.94 173.66 3m36 s PRO 126 N 0.27 3.43 -0.01 2.79 0.02 -1.26 0.77 135.00 141.00 3m36 s PRO 126 Ca -0.02 1.71 0.22 0.00 0.02 0.00 0.00 61.00 62.93 3m36 s PRO 126 Cb -0.14 -2.13 -0.25 0.00 0.02 0.00 0.00 34.50 32.00 3m36 s PRO 126 CO 0.02 -0.81 0.73 0.25 -0.33 0.00 0.00 177.00 176.87 3m36 n THR 127 N -1.07 0.02 -4.24 0.99 -2.24 -0.40 -4.83 114.28 102.50 3m36 n THR 127 Ca 0.10 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 3m36 n THR 127 Cb 0.50 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 3m36 n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3m36 s GLY 128 N -3.71 2.19 0.41 3.38 0.00 -1.26 -5.05 107.32 103.27 3m36 s GLY 128 Ca 0.01 -1.97 0.29 0.00 0.00 0.00 0.00 44.72 43.04 3m36 s GLY 128 CO 0.88 -1.37 1.86 -0.56 0.00 0.00 0.00 173.10 173.91 3m36 h PRO 129 N 2.12 0.00 -2.08 2.90 0.13 -1.99 -3.35 132.00 129.73 3m36 h PRO 129 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 3m36 h PRO 129 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 3m36 h PRO 129 CO 0.36 0.00 -0.92 0.66 -0.23 0.00 0.00 178.00 177.87 3m36 n TYR 130 N -2.65 1.27 -1.95 1.56 4.01 -1.26 -5.11 117.16 113.03 3m36 n TYR 130 Ca 0.01 -3.81 -0.35 0.00 -0.16 0.00 0.00 57.90 53.60 3m36 n TYR 130 Cb 0.25 -0.43 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 3m36 n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3m36 s PRO 131 N -1.88 2.94 0.62 -0.72 0.04 -1.26 -4.96 135.00 129.78 3m36 s PRO 131 Ca 0.38 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 3m36 s PRO 131 Cb 0.19 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3m36 s PRO 131 CO -0.08 -1.19 1.24 0.00 0.04 0.00 0.00 177.00 177.01 3m36 n GLY 133 N 0.64 0.57 3.46 0.00 0.00 -1.26 -5.02 105.19 103.58 3m36 n GLY 133 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3m36 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m36 s LYS 134 N -0.32 3.59 0.52 1.61 -0.14 -1.22 -5.09 119.74 118.69 3m36 s LYS 134 Ca 0.00 -0.56 -0.21 0.00 -1.36 0.00 0.00 55.97 53.84 3m36 s LYS 134 Cb 0.00 -2.84 -0.06 0.00 -1.68 0.00 0.00 37.83 33.25 3m36 s LYS 134 CO 0.00 0.23 1.16 -0.65 -0.76 0.00 0.00 175.35 175.33 3m36 s GLN 135 N 0.37 3.45 -0.93 1.68 -0.21 -1.26 -4.95 119.66 117.82 3m36 s GLN 135 Ca -0.06 1.72 -0.16 0.00 0.02 0.00 0.00 55.36 56.89 3m36 s GLN 135 Cb -0.15 -2.16 0.18 0.00 1.00 0.00 0.00 33.01 31.89 3m36 s GLN 135 CO 0.04 -0.79 1.00 0.95 -2.12 0.00 0.00 175.29 174.37 3m36 s THR 136 N -1.65 5.22 -0.88 -0.19 -4.23 -1.26 -4.94 115.64 107.72 3m36 s THR 136 Ca 0.70 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 3m36 s THR 136 Cb -0.27 -4.65 0.23 0.00 1.34 0.00 0.00 72.50 69.15 3m36 s THR 136 CO 0.31 -1.29 0.81 -0.76 -0.54 0.00 0.00 174.62 173.15 3m36 s LEU 137 N 1.24 6.28 0.00 4.79 2.01 -1.26 -5.30 118.68 126.44 3m36 s LEU 137 Ca 0.27 -3.08 0.00 0.00 0.01 0.00 0.00 54.13 51.33 3m36 s LEU 137 Cb -0.07 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 44.01 3m36 s LEU 137 CO -0.08 -0.42 0.14 -1.84 1.01 0.00 0.00 176.35 175.16