#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvu n LYS 87 N 0.00 0.00 -4.05 5.56 5.02 -1.26 -4.98 118.16 118.45 2vvu n LYS 87 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2vvu n LYS 87 Cb 0.00 -0.70 -0.12 0.00 -0.02 0.00 0.00 35.03 34.19 2vvu n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vvu s LEU 88 N 3.25 2.22 0.65 -0.35 1.43 -1.26 -4.52 118.68 120.10 2vvu s LEU 88 Ca 0.41 -0.47 0.43 0.00 -1.03 0.00 0.00 54.13 53.47 2vvu s LEU 88 Cb -0.40 -0.12 2.30 0.00 0.03 0.00 0.00 46.19 48.01 2vvu s LEU 88 CO 0.45 -0.19 2.32 0.00 0.23 0.00 0.00 176.35 179.16 2vvu n SER 90 N -3.05 0.36 -3.96 0.00 3.41 -1.26 -2.93 113.62 106.18 2vvu n SER 90 Ca -0.03 -1.07 -0.31 0.00 -0.26 0.00 0.00 58.87 57.20 2vvu n SER 90 Cb 0.09 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.88 2vvu n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vvu s LEU 91 N -2.03 2.97 -1.51 1.04 1.43 -0.89 -4.75 118.68 114.94 2vvu s LEU 91 Ca 0.44 -1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.14 2vvu s LEU 91 Cb 0.22 -1.29 0.04 0.00 0.03 0.00 0.00 46.19 45.19 2vvu s LEU 91 CO 0.37 -0.25 0.41 0.47 0.23 0.00 0.00 176.35 177.57 2vvu n ASP 92 N 4.59 -0.69 -3.06 2.29 8.00 -1.26 -1.72 116.55 124.70 2vvu n ASP 92 Ca -0.10 -1.08 -0.16 0.00 0.71 0.00 0.00 54.79 54.17 2vvu n ASP 92 Cb 0.43 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.12 38.89 2vvu n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vvu n ASN 93 N -2.88 -2.43 -0.86 -2.24 5.15 -1.15 0.80 115.26 111.65 2vvu n ASN 93 Ca -0.22 -0.09 -0.11 0.00 -0.60 0.00 0.00 54.58 53.56 2vvu n ASN 93 Cb 0.64 -2.11 -0.05 0.00 -0.53 0.00 0.00 39.78 37.74 2vvu n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vvu n GLY 94 N -0.84 1.16 2.51 8.20 0.00 -0.70 -1.83 105.19 113.70 2vvu n GLY 94 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2vvu n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vvu n ASP 95 N -0.66 -1.69 -4.79 1.61 8.00 0.24 -4.94 116.55 114.31 2vvu n ASP 95 Ca -0.11 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.03 2vvu n ASP 95 Cb 0.49 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 2vvu n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vvu h ASP 97 N 2.25 0.70 0.00 0.00 5.19 -1.69 -3.46 116.42 119.42 2vvu h ASP 97 Ca -0.49 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 55.36 2vvu h ASP 97 Cb 1.21 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2vvu h ASP 97 CO 0.62 1.36 0.00 0.00 -3.12 0.00 0.00 179.24 178.09 2vvu n GLN 98 N -3.80 0.00 -2.20 3.56 6.02 -1.26 -4.99 117.38 114.72 2vvu n GLN 98 Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 2vvu n GLN 98 Cb 0.85 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.08 2vvu n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vvu s PHE 99 N 2.17 3.20 0.01 1.08 0.08 -0.85 -4.89 117.98 118.77 2vvu s PHE 99 Ca 0.00 1.33 0.07 0.00 0.12 0.00 0.00 56.93 58.46 2vvu s PHE 99 Cb 0.00 -3.61 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 2vvu s PHE 99 CO 0.00 -1.77 -0.23 0.00 -0.10 0.00 0.00 175.22 173.12 2vvu s HIS 101 N -0.64 -0.10 0.50 0.00 3.76 -0.29 -4.99 115.29 113.53 2vvu s HIS 101 Ca 0.09 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 2vvu s HIS 101 Cb -0.09 0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.73 2vvu s HIS 101 CO 0.00 -0.27 0.68 -1.91 -0.85 0.00 0.00 174.74 172.40 2vvu n GLU 102 N 1.83 0.16 0.00 1.40 4.07 -1.26 -0.00 120.64 126.84 2vvu n GLU 102 Ca -0.20 -1.91 0.00 0.00 -0.06 0.00 0.00 57.16 54.99 2vvu n GLU 102 Cb 0.56 -0.44 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 2vvu n GLU 102 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2vvu n ASN 105 N -2.90 0.05 -3.62 4.31 2.04 -1.26 -4.83 115.26 109.05 2vvu n ASN 105 Ca 0.11 -0.08 -0.08 0.00 -0.44 0.00 0.00 54.58 54.10 2vvu n ASN 105 Cb 0.41 -0.02 -0.01 0.00 -2.53 0.00 0.00 39.78 37.63 2vvu n ASN 105 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 2vvu s SER 106 N -0.76 -0.19 -0.14 0.53 0.01 -1.26 -4.75 113.70 107.14 2vvu s SER 106 Ca 0.00 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 2vvu s SER 106 Cb 0.00 0.76 -0.05 0.00 0.21 0.00 0.00 66.02 66.94 2vvu s SER 106 CO 0.00 -1.44 0.21 0.68 0.41 0.00 0.00 173.24 173.10 2vvu s VAL 107 N -3.50 5.37 -0.20 3.43 -7.23 -1.26 -4.97 120.40 112.04 2vvu s VAL 107 Ca 0.12 0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.62 2vvu s VAL 107 Cb -0.06 -3.52 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 2vvu s VAL 107 CO 0.08 0.49 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.63 2vvu s VAL 108 N -0.17 3.48 0.24 1.32 1.01 1.00 -4.95 120.40 122.32 2vvu s VAL 108 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2vvu s VAL 108 Cb -0.12 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2vvu s VAL 108 CO 0.03 0.45 0.48 0.00 0.00 0.00 0.00 175.10 176.06 2vvu n SER 110 N -0.73 -1.63 -4.09 0.00 3.41 -0.19 -4.97 113.62 105.41 2vvu n SER 110 Ca -0.03 -2.74 -0.08 0.00 -0.26 0.00 0.00 58.87 55.76 2vvu n SER 110 Cb 0.54 2.90 -0.10 0.00 -0.26 0.00 0.00 64.21 67.29 2vvu n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vvu s ALA 112 N -3.94 2.24 0.37 0.00 0.00 -1.26 -4.94 121.76 114.23 2vvu s ALA 112 Ca 0.10 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 2vvu s ALA 112 Cb 0.08 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.95 2vvu s ALA 112 CO -0.08 -1.72 1.40 -2.13 0.00 0.00 0.00 175.76 173.23 2vvu n ARG 113 N -3.44 2.42 -0.25 0.00 0.63 -1.26 -2.26 116.66 112.51 2vvu n ARG 113 Ca 0.07 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 2vvu n ARG 113 Cb 0.56 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.95 2vvu n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vvu n GLY 114 N 0.59 0.70 3.19 5.14 0.00 -1.26 -4.65 105.19 108.90 2vvu n GLY 114 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2vvu n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vvu s TYR 115 N -2.35 1.04 -0.05 1.61 1.51 -0.96 -1.02 117.35 117.14 2vvu s TYR 115 Ca 0.00 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 2vvu s TYR 115 Cb 0.00 -0.57 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 2vvu s TYR 115 CO 0.00 -0.03 -0.19 0.99 -1.11 0.00 0.00 175.55 175.21 2vvu s THR 116 N -2.97 1.60 0.04 -0.71 2.01 0.26 -4.82 115.64 111.05 2vvu s THR 116 Ca 0.09 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 2vvu s THR 116 Cb 0.01 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 2vvu s THR 116 CO -0.01 0.45 1.75 -0.22 -0.69 0.00 0.00 174.62 175.90 2vvu s LEU 117 N 0.04 4.38 1.08 4.42 2.96 -1.26 -0.14 118.68 130.17 2vvu s LEU 117 Ca -0.05 2.51 -0.17 0.00 -0.22 0.00 0.00 54.13 56.20 2vvu s LEU 117 Cb -0.13 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.12 2vvu s LEU 117 CO 0.03 -0.95 0.19 0.00 -1.32 0.00 0.00 176.35 174.30 2vvu n ALA 118 N 6.39 -3.67 -0.09 5.97 0.00 -0.05 -4.88 120.51 124.19 2vvu n ALA 118 Ca 0.17 -1.12 -0.03 0.00 0.00 0.00 0.00 53.44 52.46 2vvu n ALA 118 Cb 0.41 -1.63 0.19 0.00 0.00 0.00 0.00 19.45 18.42 2vvu n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vvu h ASP 119 N -2.00 0.71 0.00 0.00 3.32 -1.93 -2.51 116.42 114.00 2vvu h ASP 119 Ca -0.52 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.37 2vvu h ASP 119 Cb 1.34 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2vvu h ASP 119 CO 0.38 0.77 0.00 -0.46 -1.72 0.00 0.00 179.24 178.22 2vvu n ASN 120 N -4.23 0.00 0.00 6.45 0.23 -1.26 -4.87 115.26 111.58 2vvu n ASN 120 Ca 0.02 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 2vvu n ASN 120 Cb 0.29 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 2vvu n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vvu n GLY 121 N 0.01 0.34 0.96 4.83 0.00 -0.95 -4.79 105.19 105.60 2vvu n GLY 121 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2vvu n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vvu n LYS 122 N -1.40 0.03 -2.42 1.61 4.76 -1.26 -4.16 118.16 115.32 2vvu n LYS 122 Ca 0.00 0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 2vvu n LYS 122 Cb 0.17 -0.56 -0.03 0.00 -1.84 0.00 0.00 35.03 32.77 2vvu n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vvu s ALA 123 N -2.04 3.09 -0.21 7.82 0.00 -1.26 -1.85 121.76 127.32 2vvu s ALA 123 Ca -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 2vvu s ALA 123 Cb 0.01 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2vvu s ALA 123 CO 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 175.76 175.49 2vvu s ILE 125 N 1.33 4.87 0.14 0.00 -1.09 0.81 -4.86 121.20 122.40 2vvu s ILE 125 Ca 0.04 -0.00 -0.30 0.00 -2.23 0.00 0.00 60.65 58.15 2vvu s ILE 125 Cb -0.14 -3.22 -0.08 0.00 -1.58 0.00 0.00 42.46 37.44 2vvu s ILE 125 CO -0.03 0.42 1.29 -2.84 -1.23 0.00 0.00 174.94 172.55 2vvu s PRO 126 N 0.66 4.40 0.00 2.79 0.02 -1.26 0.89 135.00 142.50 2vvu s PRO 126 Ca 0.04 1.96 0.17 0.00 0.02 0.00 0.00 61.00 63.19 2vvu s PRO 126 Cb -0.13 -3.25 0.47 0.00 0.02 0.00 0.00 34.50 31.61 2vvu s PRO 126 CO 0.01 -0.27 1.39 0.25 -0.33 0.00 0.00 177.00 178.05 2vvu n THR 127 N 3.24 0.66 -3.83 0.99 -2.24 -0.19 -4.89 114.28 108.03 2vvu n THR 127 Ca 0.08 -0.68 -0.07 0.00 -2.27 0.00 0.00 64.05 61.11 2vvu n THR 127 Cb 0.44 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2vvu n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vvu s GLY 128 N -1.05 0.11 0.34 3.38 0.00 -1.26 -5.05 107.32 103.78 2vvu s GLY 128 Ca 0.35 -0.45 0.18 0.00 0.00 0.00 0.00 44.72 44.80 2vvu s GLY 128 CO 0.24 0.06 1.50 -0.56 0.00 0.00 0.00 173.10 174.34 2vvu h PRO 129 N 2.00 0.00 -2.21 2.90 0.13 -1.98 -3.36 132.00 129.48 2vvu h PRO 129 Ca -0.26 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.28 2vvu h PRO 129 Cb 1.24 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.96 2vvu h PRO 129 CO 0.32 0.28 -0.67 0.66 -0.23 0.00 0.00 178.00 178.36 2vvu n TYR 130 N -3.16 3.45 -2.44 1.56 4.01 -1.26 -5.08 117.16 114.23 2vvu n TYR 130 Ca 0.03 -4.04 -0.39 0.00 -0.16 0.00 0.00 57.90 53.34 2vvu n TYR 130 Cb 0.65 -0.51 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 2vvu n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2vvu s PRO 131 N -2.84 4.37 0.35 -0.72 0.04 -1.26 -4.94 135.00 130.00 2vvu s PRO 131 Ca 0.44 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 2vvu s PRO 131 Cb 0.22 -2.90 -0.13 0.00 0.04 0.00 0.00 34.50 31.73 2vvu s PRO 131 CO -0.07 -0.01 0.83 0.00 0.04 0.00 0.00 177.00 177.78 2vvu n GLY 133 N 1.45 0.97 3.65 0.00 0.00 -1.26 -4.99 105.19 105.01 2vvu n GLY 133 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2vvu n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvu s LYS 134 N -0.07 4.11 0.64 1.61 -0.14 -1.12 -5.08 119.74 119.69 2vvu s LYS 134 Ca 0.00 0.02 -0.18 0.00 -1.36 0.00 0.00 55.97 54.45 2vvu s LYS 134 Cb 0.00 -3.56 -0.01 0.00 -1.68 0.00 0.00 37.83 32.57 2vvu s LYS 134 CO 0.00 -0.06 1.26 -0.65 -0.76 0.00 0.00 175.35 175.14 2vvu s GLN 135 N 1.39 2.63 -0.67 1.68 -0.21 -1.26 -4.90 119.66 118.32 2vvu s GLN 135 Ca 0.15 1.96 -0.16 0.00 0.02 0.00 0.00 55.36 57.33 2vvu s GLN 135 Cb -0.15 -1.87 0.15 0.00 1.00 0.00 0.00 33.01 32.15 2vvu s GLN 135 CO 0.07 -1.51 0.67 0.95 -2.12 0.00 0.00 175.29 173.36 2vvu s THR 136 N -1.51 5.24 -0.10 -0.19 -4.23 -1.26 -4.89 115.64 108.69 2vvu s THR 136 Ca 0.80 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 2vvu s THR 136 Cb -0.35 -4.44 -0.05 0.00 1.34 0.00 0.00 72.50 69.00 2vvu s THR 136 CO 0.38 -1.02 -0.19 0.18 -0.54 0.00 0.00 174.62 173.44 2vvu n LEU 137 N 5.12 1.25 -4.85 4.79 4.77 -1.26 -4.98 117.00 121.83 2vvu n LEU 137 Ca -0.01 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.85 2vvu n LEU 137 Cb 0.43 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2vvu n LEU 137 CO 0.48 -0.04 0.52 -1.61 -1.33 0.00 0.00 177.39 175.41 2vvu s GLU 138 N -2.35 3.94 2.13 3.23 0.41 -1.26 -4.93 118.70 119.87 2vvu s GLU 138 Ca -0.18 0.73 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 2vvu s GLU 138 Cb 0.05 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2vvu s GLU 138 CO 0.24 -0.04 0.00 -2.13 -0.49 0.00 0.00 175.26 172.84 2vvu n ARG 139 N -1.03 0.00 0.00 1.61 0.63 -1.26 -5.19 116.66 111.42 2vvu n ARG 139 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2vvu n ARG 139 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 2vvu n ARG 139 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66