#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3u n LEU 88 N 0.00 0.00 0.28 -0.35 4.77 -1.26 -0.12 117.00 120.32 2p3u n LEU 88 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 2p3u n LEU 88 Cb 0.00 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 41.96 2p3u n LEU 88 CO 0.00 0.00 1.05 0.00 -1.33 0.00 0.00 177.39 177.11 2p3u n SER 90 N -2.96 0.67 -4.37 0.00 7.64 0.82 -2.75 113.62 112.67 2p3u n SER 90 Ca -0.01 0.48 -0.45 0.00 1.01 0.00 0.00 58.87 59.90 2p3u n SER 90 Cb 0.19 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 2p3u n SER 90 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2p3u s LEU 91 N -4.22 5.69 -1.53 -3.43 2.96 -0.02 -4.57 118.68 113.57 2p3u s LEU 91 Ca 0.11 -1.76 -0.07 0.00 -0.22 0.00 0.00 54.13 52.18 2p3u s LEU 91 Cb 0.14 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.60 2p3u s LEU 91 CO 0.61 -0.99 0.54 -0.67 -1.32 0.00 0.00 176.35 174.51 2p3u n ASP 92 N 5.82 -1.41 -1.93 3.68 2.03 -1.26 -0.79 116.55 122.68 2p3u n ASP 92 Ca -0.02 -1.02 -0.20 0.00 0.52 0.00 0.00 54.79 54.06 2p3u n ASP 92 Cb 0.44 -2.87 -0.05 0.00 -0.72 0.00 0.00 41.12 37.92 2p3u n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2p3u n ASN 93 N -2.86 -5.48 -0.64 1.67 5.15 -1.11 -1.54 115.26 110.45 2p3u n ASN 93 Ca -0.16 0.29 -0.08 0.00 -0.60 0.00 0.00 54.58 54.02 2p3u n ASN 93 Cb 0.61 -4.73 -0.04 0.00 -0.53 0.00 0.00 39.78 35.10 2p3u n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2p3u n GLY 94 N -0.64 0.92 2.39 8.20 0.00 0.02 -1.48 105.19 114.60 2p3u n GLY 94 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2p3u n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2p3u n ASP 95 N -0.56 -3.06 -4.79 1.61 4.64 -0.59 -4.98 116.55 108.82 2p3u n ASP 95 Ca -0.08 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 52.96 2p3u n ASP 95 Cb 0.44 -1.06 -0.05 0.00 -1.04 0.00 0.00 41.12 39.40 2p3u n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2p3u h ASP 97 N 2.67 0.80 0.00 0.00 5.19 -1.58 -3.47 116.42 120.03 2p3u h ASP 97 Ca -0.48 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 55.64 2p3u h ASP 97 Cb 1.20 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2p3u h ASP 97 CO 0.63 0.90 0.00 0.00 -3.12 0.00 0.00 179.24 177.65 2p3u n GLN 98 N -4.37 0.00 -2.20 3.56 6.02 -1.26 -5.00 117.38 114.13 2p3u n GLN 98 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 2p3u n GLN 98 Cb 0.30 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.53 2p3u n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2p3u s PHE 99 N 2.18 3.20 -0.07 1.08 0.08 -0.61 -4.90 117.98 118.94 2p3u s PHE 99 Ca 0.00 1.36 0.04 0.00 0.12 0.00 0.00 56.93 58.45 2p3u s PHE 99 Cb 0.00 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 2p3u s PHE 99 CO 0.00 -1.74 -0.19 0.00 -0.10 0.00 0.00 175.22 173.19 2p3u s HIS 101 N 0.24 1.45 -0.23 0.00 3.76 -0.03 -4.99 115.29 115.48 2p3u s HIS 101 Ca -0.11 -0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 54.32 2p3u s HIS 101 Cb -0.15 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 2p3u s HIS 101 CO 0.05 0.09 0.09 -1.21 -0.85 0.00 0.00 174.74 172.91 2p3u s GLU 102 N -1.50 3.84 -0.04 1.40 2.02 -1.26 0.02 118.70 123.19 2p3u s GLU 102 Ca 0.03 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2p3u s GLU 102 Cb -0.09 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.81 2p3u s GLU 102 CO 0.02 -0.01 -0.03 -2.00 0.02 0.00 0.00 175.26 173.26 2p3u s GLU 103 N 1.16 0.66 -1.63 1.61 2.12 0.90 -4.82 118.70 118.69 2p3u s GLU 103 Ca 0.05 -0.07 -0.14 0.00 0.36 0.00 0.00 54.97 55.17 2p3u s GLU 103 Cb -0.14 -0.70 0.12 0.00 0.26 0.00 0.00 34.13 33.66 2p3u s GLU 103 CO 0.04 -0.07 0.68 1.04 -0.54 0.00 0.00 175.26 176.41 2p3u n GLN 104 N 3.95 -3.12 -2.10 4.30 6.02 -1.26 0.51 117.38 125.67 2p3u n GLN 104 Ca -0.25 0.37 -0.19 0.00 -0.01 0.00 0.00 57.00 56.92 2p3u n GLN 104 Cb 0.51 -4.92 -0.03 0.00 1.02 0.00 0.00 30.24 26.82 2p3u n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2p3u n ASN 105 N -2.74 -5.43 -4.22 1.08 4.05 -1.26 -4.99 115.26 101.76 2p3u n ASN 105 Ca -0.02 0.14 -0.19 0.00 0.45 0.00 0.00 54.58 54.96 2p3u n ASN 105 Cb 0.54 -4.52 -0.12 0.00 1.23 0.00 0.00 39.78 36.92 2p3u n ASN 105 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2p3u s SER 106 N -2.35 1.90 0.11 1.20 0.01 0.18 -5.07 113.70 109.68 2p3u s SER 106 Ca 0.00 -0.72 -0.30 0.00 1.31 0.00 0.00 55.95 56.24 2p3u s SER 106 Cb 0.00 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 2p3u s SER 106 CO 0.00 -0.10 0.98 -0.69 0.41 0.00 0.00 173.24 173.83 2p3u s VAL 107 N -1.72 4.46 -0.14 3.43 1.01 -1.26 -0.07 120.40 126.11 2p3u s VAL 107 Ca 0.04 2.03 0.01 0.00 0.00 0.00 0.00 61.98 64.06 2p3u s VAL 107 Cb -0.07 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2p3u s VAL 107 CO 0.03 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.58 2p3u s VAL 108 N 0.04 1.67 0.18 2.92 1.01 0.10 -4.91 120.40 121.42 2p3u s VAL 108 Ca 0.48 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2p3u s VAL 108 Cb -0.24 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 2p3u s VAL 108 CO 0.30 0.47 0.43 0.00 0.00 0.00 0.00 175.10 176.30 2p3u s SER 110 N -2.59 0.55 0.13 0.00 1.04 -0.53 -4.94 113.70 107.36 2p3u s SER 110 Ca 0.42 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.57 2p3u s SER 110 Cb -0.12 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2p3u s SER 110 CO 0.25 -1.36 -0.09 0.00 0.98 0.00 0.00 173.24 173.02 2p3u s ALA 112 N -3.41 1.81 0.27 0.00 0.00 -1.26 -4.88 121.76 114.29 2p3u s ALA 112 Ca 0.15 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2p3u s ALA 112 Cb 0.03 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 2p3u s ALA 112 CO -0.01 -2.33 1.50 0.54 0.00 0.00 0.00 175.76 175.45 2p3u n ARG 113 N -3.86 2.38 -0.11 0.00 1.74 -1.26 -1.85 116.66 113.71 2p3u n ARG 113 Ca 0.11 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 2p3u n ARG 113 Cb 0.52 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2p3u n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p3u n GLY 114 N 2.11 0.54 3.36 -0.13 0.00 -1.26 -4.71 105.19 105.09 2p3u n GLY 114 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2p3u n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p3u s TYR 115 N -2.23 2.09 0.02 1.61 2.02 -0.77 -1.37 117.35 118.71 2p3u s TYR 115 Ca 0.00 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2p3u s TYR 115 Cb 0.00 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2p3u s TYR 115 CO 0.00 0.33 -0.18 0.95 -1.57 0.00 0.00 175.55 175.09 2p3u s THR 116 N -1.36 2.79 0.16 -0.71 -4.23 0.62 -4.80 115.64 108.13 2p3u s THR 116 Ca 0.13 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 2p3u s THR 116 Cb -0.09 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.52 2p3u s THR 116 CO 0.06 0.40 1.32 -0.22 -0.54 0.00 0.00 174.62 175.65 2p3u s LEU 117 N -1.24 4.40 0.98 4.79 2.96 -1.26 -0.41 118.68 128.90 2p3u s LEU 117 Ca 0.14 2.35 -0.13 0.00 -0.22 0.00 0.00 54.13 56.27 2p3u s LEU 117 Cb -0.10 -3.60 0.18 0.00 0.50 0.00 0.00 46.19 43.16 2p3u s LEU 117 CO 0.04 -0.56 1.12 0.00 -1.32 0.00 0.00 176.35 175.63 2p3u s ALA 118 N 0.47 1.26 0.53 5.97 0.00 0.71 -4.86 121.76 125.85 2p3u s ALA 118 Ca 0.59 -0.49 0.21 0.00 0.00 0.00 0.00 51.96 52.27 2p3u s ALA 118 Cb -0.36 -3.06 1.35 0.00 0.00 0.00 0.00 23.12 21.05 2p3u s ALA 118 CO 0.35 -2.67 2.07 0.22 0.00 0.00 0.00 175.76 175.73 2p3u h ASP 119 N -1.78 0.00 0.18 0.00 3.58 -1.95 0.44 116.42 116.90 2p3u h ASP 119 Ca -0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2p3u h ASP 119 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 2p3u h ASP 119 CO 0.58 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.48 2p3u n ASN 120 N -4.43 0.00 -0.27 2.28 0.23 -1.26 -4.87 115.26 106.94 2p3u n ASN 120 Ca 0.04 -0.72 -0.03 0.00 -0.53 0.00 0.00 54.58 53.33 2p3u n ASN 120 Cb 0.36 -0.09 -0.01 0.00 -2.08 0.00 0.00 39.78 37.95 2p3u n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p3u n GLY 121 N 1.07 0.62 0.73 4.83 0.00 0.15 -4.81 105.19 107.78 2p3u n GLY 121 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2p3u n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p3u n LYS 122 N -2.22 0.00 -2.38 1.61 5.02 -1.26 -4.21 118.16 114.72 2p3u n LYS 122 Ca -0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 2p3u n LYS 122 Cb 0.20 -0.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.68 2p3u n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p3u s ALA 123 N -1.73 3.12 -0.16 7.82 0.00 -1.26 -1.48 121.76 128.07 2p3u s ALA 123 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2p3u s ALA 123 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 2p3u s ALA 123 CO 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 175.76 175.35 2p3u s ILE 125 N 0.85 3.51 0.31 0.00 -1.09 0.45 -4.90 121.20 120.34 2p3u s ILE 125 Ca -0.04 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 57.60 2p3u s ILE 125 Cb -0.15 -2.53 -0.11 0.00 -1.58 0.00 0.00 42.46 38.09 2p3u s ILE 125 CO -0.00 0.49 1.51 -2.84 -1.23 0.00 0.00 174.94 172.87 2p3u s PRO 126 N 0.58 4.16 0.04 2.79 0.02 -1.26 -0.27 135.00 141.06 2p3u s PRO 126 Ca -0.05 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.48 2p3u s PRO 126 Cb -0.15 -3.03 -0.26 0.00 0.02 0.00 0.00 34.50 31.09 2p3u s PRO 126 CO 0.03 -0.53 0.99 1.79 -0.33 0.00 0.00 177.00 178.95 2p3u h THR 127 N 3.28 1.32 -2.56 0.99 1.35 -1.57 -3.46 112.91 112.27 2p3u h THR 127 Ca -0.48 -2.99 -0.09 0.00 -0.55 0.00 0.00 66.41 62.30 2p3u h THR 127 Cb 1.23 2.78 -0.02 0.00 -1.73 0.00 0.00 68.15 70.40 2p3u h THR 127 CO 0.74 0.83 -0.07 0.61 -0.25 0.00 0.00 175.52 177.39 2p3u n GLY 128 N 1.55 3.25 3.76 5.82 0.00 -1.26 -5.12 105.19 113.18 2p3u n GLY 128 Ca -0.11 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2p3u n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p3u s PRO 129 N -2.24 2.97 -1.18 1.61 0.04 -1.26 -4.03 135.00 130.91 2p3u s PRO 129 Ca 0.08 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 2p3u s PRO 129 Cb 0.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2p3u s PRO 129 CO 0.06 -1.17 0.76 0.66 0.04 0.00 0.00 177.00 177.34 2p3u n TYR 130 N -1.75 -1.97 -1.47 0.56 4.01 -1.26 -4.95 117.16 110.33 2p3u n TYR 130 Ca 0.13 0.62 -0.34 0.00 -0.16 0.00 0.00 57.90 58.14 2p3u n TYR 130 Cb 0.50 -3.76 0.09 0.00 -0.31 0.00 0.00 39.34 35.86 2p3u n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2p3u s PRO 131 N -5.79 2.24 0.59 -0.72 0.04 -1.26 -4.94 135.00 125.16 2p3u s PRO 131 Ca 0.34 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 2p3u s PRO 131 Cb -0.10 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2p3u s PRO 131 CO 0.84 -1.73 1.28 0.00 0.04 0.00 0.00 177.00 177.43 2p3u n GLY 133 N 0.72 0.84 3.55 0.00 0.00 -1.26 -5.00 105.19 104.04 2p3u n GLY 133 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2p3u n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p3u s LYS 134 N -0.01 3.81 0.55 1.61 -0.14 -1.22 -5.09 119.74 119.26 2p3u s LYS 134 Ca 0.00 -0.42 -0.22 0.00 -1.36 0.00 0.00 55.97 53.97 2p3u s LYS 134 Cb 0.00 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.91 2p3u s LYS 134 CO 0.00 0.12 1.36 -0.65 -0.76 0.00 0.00 175.35 175.42 2p3u s GLN 135 N 0.78 3.10 -0.79 1.68 -0.21 -1.26 -4.94 119.66 118.02 2p3u s GLN 135 Ca 0.02 2.24 -0.16 0.00 0.02 0.00 0.00 55.36 57.49 2p3u s GLN 135 Cb -0.14 -2.24 0.17 0.00 1.00 0.00 0.00 33.01 31.80 2p3u s GLN 135 CO 0.02 -1.22 0.84 0.95 -2.12 0.00 0.00 175.29 173.76 2p3u s THR 136 N -1.30 5.18 -0.05 -0.19 -4.23 -1.26 -5.13 115.64 108.66 2p3u s THR 136 Ca 0.72 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2p3u s THR 136 Cb -0.41 -4.55 0.00 0.00 1.34 0.00 0.00 72.50 68.88 2p3u s THR 136 CO 0.48 -1.17 0.51 0.18 -0.54 0.00 0.00 174.62 174.08