#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vcx s LYS 2 N 0.00 2.01 -0.02 0.00 1.02 -1.26 -1.72 119.74 119.77 1vcx s LYS 2 Ca 0.00 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 55.04 1vcx s LYS 2 Cb 0.00 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1vcx s LYS 2 CO 0.00 0.54 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.25 1vcx s TRP 3 N -0.77 1.30 -0.07 3.18 0.52 0.08 -0.95 118.94 122.23 1vcx s TRP 3 Ca 0.12 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.95 1vcx s TRP 3 Cb -0.10 -0.86 -0.03 0.00 -1.15 0.00 0.00 33.47 31.33 1vcx s TRP 3 CO 0.02 -0.06 -0.01 0.54 0.02 0.00 0.00 176.95 177.46 1vcx s VAL 4 N -0.19 4.21 -0.39 4.03 0.11 0.45 0.22 120.40 128.83 1vcx s VAL 4 Ca 0.03 -0.34 -0.28 0.00 -2.93 0.00 0.00 61.98 58.45 1vcx s VAL 4 Cb -0.07 -2.78 0.02 0.00 -1.53 0.00 0.00 36.38 32.02 1vcx s VAL 4 CO 0.00 0.57 1.07 0.00 -3.33 0.00 0.00 175.10 173.41 1vcx h LYS 6 N 8.63 0.00 0.00 0.00 1.57 -1.25 -0.77 116.57 124.75 1vcx h LYS 6 Ca -0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1vcx h LYS 6 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1vcx h LYS 6 CO 1.06 0.01 -0.00 0.82 -0.57 0.00 0.00 179.45 180.78 1vcx h ILE 7 N 0.00 1.61 -0.00 1.86 1.08 -1.91 -3.42 117.51 116.73 1vcx h ILE 7 Ca -0.00 -2.16 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 1vcx h ILE 7 Cb 0.10 3.03 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1vcx h ILE 7 CO 0.00 0.54 -0.17 0.00 -0.69 0.00 0.00 178.15 177.83 1vcx n GLY 9 N 0.99 0.91 3.77 0.00 0.00 -0.30 -5.04 105.19 105.52 1vcx n GLY 9 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1vcx n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vcx n TYR 10 N -2.00 2.85 -3.89 1.61 9.36 -1.26 -4.69 117.16 119.14 1vcx n TYR 10 Ca 0.00 0.44 -0.35 0.00 3.32 0.00 0.00 57.90 61.31 1vcx n TYR 10 Cb 0.00 -2.50 -0.14 0.00 -0.63 0.00 0.00 39.34 36.08 1vcx n TYR 10 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1vcx s ILE 11 N -1.16 3.40 -0.28 2.97 -1.09 -1.26 -0.39 121.20 123.38 1vcx s ILE 11 Ca 0.57 -0.60 -0.24 0.00 -2.23 0.00 0.00 60.65 58.15 1vcx s ILE 11 Cb -0.46 -2.61 -0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1vcx s ILE 11 CO 0.61 0.34 0.82 -0.47 -1.23 0.00 0.00 174.94 175.00 1vcx s TYR 12 N 1.46 3.24 -0.31 3.97 5.04 0.13 -4.90 117.35 125.98 1vcx s TYR 12 Ca 0.04 0.96 -0.08 0.00 -2.44 0.00 0.00 57.07 55.55 1vcx s TYR 12 Cb -0.15 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 38.98 1vcx s TYR 12 CO -0.03 -0.51 0.12 0.34 -1.34 0.00 0.00 175.55 174.14 1vcx s ASP 13 N 1.51 5.37 0.57 4.32 2.15 -1.26 -0.74 116.67 128.59 1vcx s ASP 13 Ca 0.34 -0.62 0.27 0.00 0.43 0.00 0.00 52.55 52.97 1vcx s ASP 13 Cb -0.14 -1.95 1.59 0.00 -0.30 0.00 0.00 42.92 42.12 1vcx s ASP 13 CO 0.11 -0.20 2.11 -0.33 -0.17 0.00 0.00 175.17 176.69 1vcx h GLU 14 N 8.30 0.00 0.00 4.34 5.08 -1.58 -0.47 114.58 130.25 1vcx h GLU 14 Ca -0.32 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1vcx h GLU 14 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1vcx h GLU 14 CO 0.61 0.00 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.81 1vcx h ASP 15 N 0.00 0.00 0.31 1.42 3.32 -1.88 0.49 116.42 120.08 1vcx h ASP 15 Ca 0.09 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.86 1vcx h ASP 15 Cb 0.45 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1vcx h ASP 15 CO -0.00 0.38 -1.94 0.00 -1.72 0.00 0.00 179.24 175.96 1vcx n ALA 16 N -2.28 1.66 -0.76 3.45 0.00 -0.31 -3.97 120.51 118.29 1vcx n ALA 16 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1vcx n ALA 16 Cb 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1vcx n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vcx n GLY 17 N 1.58 0.67 2.60 0.00 0.00 -0.49 -4.15 105.19 105.40 1vcx n GLY 17 Ca -0.21 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1vcx n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vcx n ASP 18 N -2.08 -2.01 -0.31 1.61 2.03 -0.14 -4.72 116.55 110.93 1vcx n ASP 18 Ca 0.00 -3.21 0.09 0.00 0.52 0.00 0.00 54.79 52.19 1vcx n ASP 18 Cb 0.00 1.21 0.26 0.00 -0.72 0.00 0.00 41.12 41.87 1vcx n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vcx h PRO 19 N 3.84 0.59 0.00 -0.67 0.11 -1.29 -0.21 132.00 134.36 1vcx h PRO 19 Ca -0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1vcx h PRO 19 Cb 1.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1vcx h PRO 19 CO 0.34 0.39 0.00 -0.25 -0.21 0.00 0.00 178.00 178.27 1vcx n ASP 20 N -4.89 0.62 -0.36 -2.05 10.43 -1.26 -1.27 116.55 117.78 1vcx n ASP 20 Ca 0.19 0.72 0.08 0.00 2.57 0.00 0.00 54.79 58.35 1vcx n ASP 20 Cb 0.51 -0.83 0.17 0.00 1.84 0.00 0.00 41.12 42.81 1vcx n ASP 20 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1vcx n ASN 21 N -2.26 2.23 0.00 -2.24 3.02 -0.58 -4.97 115.26 110.46 1vcx n ASN 21 Ca 0.00 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1vcx n ASN 21 Cb 0.12 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1vcx n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vcx n GLY 22 N -1.26 0.46 3.14 7.41 0.00 -0.39 -5.03 105.19 109.53 1vcx n GLY 22 Ca 0.18 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1vcx n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vcx s ILE 23 N -2.00 2.78 0.51 -0.61 -1.09 -0.20 -4.96 121.20 115.63 1vcx s ILE 23 Ca 0.00 -1.48 -0.20 0.00 -2.23 0.00 0.00 60.65 56.74 1vcx s ILE 23 Cb 0.00 -2.62 -0.07 0.00 -1.58 0.00 0.00 42.46 38.19 1vcx s ILE 23 CO 0.00 -0.11 1.05 -0.94 -1.23 0.00 0.00 174.94 173.71 1vcx s SER 24 N 1.22 6.18 0.30 3.58 1.04 -1.26 -0.97 113.70 123.79 1vcx s SER 24 Ca -0.06 1.95 -0.29 0.00 0.48 0.00 0.00 55.95 58.03 1vcx s SER 24 Cb -0.20 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.23 1vcx s SER 24 CO -0.02 -0.89 1.32 -2.65 0.98 0.00 0.00 173.24 171.98 1vcx n PRO 25 N -1.15 2.06 -0.02 4.02 -0.02 -1.26 -2.77 135.00 135.87 1vcx n PRO 25 Ca 0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1vcx n PRO 25 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1vcx n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vcx n GLY 26 N 1.33 0.47 3.68 -1.23 0.00 0.17 -4.90 105.19 104.71 1vcx n GLY 26 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1vcx n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vcx s THR 27 N -2.04 4.81 0.47 2.61 2.01 -1.11 -4.93 115.64 117.45 1vcx s THR 27 Ca 0.00 1.90 -0.21 0.00 0.31 0.00 0.00 61.69 63.69 1vcx s THR 27 Cb 0.00 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.18 1vcx s THR 27 CO 0.00 -0.01 1.09 -0.54 -0.69 0.00 0.00 174.62 174.47 1vcx s LYS 28 N 2.19 3.77 0.31 4.92 1.02 -1.26 -4.60 119.74 126.10 1vcx s LYS 28 Ca 0.44 1.54 0.04 0.00 0.02 0.00 0.00 55.97 58.02 1vcx s LYS 28 Cb -0.17 -2.24 0.66 0.00 -0.52 0.00 0.00 37.83 35.56 1vcx s LYS 28 CO 0.15 -0.48 1.85 0.35 -0.92 0.00 0.00 175.35 176.29 1vcx h PHE 29 N 1.79 1.01 0.00 3.18 3.57 -1.95 0.84 116.94 125.39 1vcx h PHE 29 Ca -0.49 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1vcx h PHE 29 Cb 1.23 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1vcx h PHE 29 CO 0.55 0.39 -0.09 0.93 -2.23 0.00 0.00 178.31 177.86 1vcx h GLU 30 N 0.87 0.00 -0.00 1.11 3.07 -2.02 -2.27 114.58 115.34 1vcx h GLU 30 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1vcx h GLU 30 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1vcx h GLU 30 CO -0.24 0.09 -0.30 0.39 -1.40 0.00 0.00 179.01 177.54 1vcx n GLU 31 N -3.33 0.13 -1.97 2.33 1.02 0.27 -4.91 120.64 114.19 1vcx n GLU 31 Ca -0.01 -0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1vcx n GLU 31 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1vcx n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vcx s LEU 32 N -2.91 4.38 0.68 -4.62 1.43 -0.86 -4.95 118.68 111.84 1vcx s LEU 32 Ca 0.15 2.83 -0.17 0.00 -1.03 0.00 0.00 54.13 55.91 1vcx s LEU 32 Cb 0.18 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1vcx s LEU 32 CO 0.62 -0.69 0.65 -2.65 0.23 0.00 0.00 176.35 174.50 1vcx n PRO 33 N 0.87 0.43 0.27 1.29 -0.02 -1.26 -4.85 135.00 131.73 1vcx n PRO 33 Ca 0.01 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1vcx n PRO 33 Cb 0.40 -1.91 0.75 0.00 -0.02 0.00 0.00 33.50 32.73 1vcx n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vcx h ASP 34 N -0.16 0.00 -0.25 2.55 3.45 -1.97 -2.37 116.42 117.67 1vcx h ASP 34 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1vcx h ASP 34 Cb 1.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1vcx h ASP 34 CO 0.45 0.09 0.00 -0.90 -1.57 0.00 0.00 179.24 177.30 1vcx n ASP 35 N -3.85 1.97 -4.76 6.45 3.85 -1.26 -4.87 116.55 114.08 1vcx n ASP 35 Ca -0.02 -1.81 -0.40 0.00 -0.71 0.00 0.00 54.79 51.84 1vcx n ASP 35 Cb 0.18 -0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 39.74 1vcx n ASP 35 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 1vcx s TRP 36 N -1.68 3.65 0.17 2.11 -0.00 -0.90 -5.05 118.94 117.25 1vcx s TRP 36 Ca 0.31 1.73 0.03 0.00 -0.00 0.00 0.00 56.10 58.17 1vcx s TRP 36 Cb 0.17 -3.23 -0.05 0.00 -0.00 0.00 0.00 33.47 30.36 1vcx s TRP 36 CO 0.25 -0.39 -0.02 0.14 -0.00 0.00 0.00 176.95 176.93 1vcx s VAL 37 N -1.07 0.84 0.05 5.86 -7.23 -1.26 -4.17 120.40 113.41 1vcx s VAL 37 Ca 0.44 -2.00 -0.36 0.00 -1.81 0.00 0.00 61.98 58.26 1vcx s VAL 37 Cb -0.31 -2.07 -0.15 0.00 0.56 0.00 0.00 36.38 34.41 1vcx s VAL 37 CO 0.39 -0.53 1.57 0.00 -0.31 0.00 0.00 175.10 176.22 1vcx n PRO 39 N 3.85 0.13 -0.11 0.00 -0.04 -1.26 -0.97 135.00 136.60 1vcx n PRO 39 Ca 0.19 0.35 -0.19 0.00 -0.04 0.00 0.00 63.50 63.81 1vcx n PRO 39 Cb 0.24 -1.74 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1vcx n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1vcx n ILE 40 N -1.98 1.51 0.49 0.52 2.08 -1.26 -4.73 119.36 115.99 1vcx n ILE 40 Ca 0.03 -0.05 0.06 0.00 0.56 0.00 0.00 62.75 63.34 1vcx n ILE 40 Cb 0.22 -2.10 -0.08 0.00 -0.75 0.00 0.00 39.64 36.93 1vcx n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vcx n GLY 42 N 1.38 0.85 3.77 0.00 0.00 -0.14 -4.99 105.19 106.06 1vcx n GLY 42 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1vcx n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vcx s ALA 43 N -2.96 3.22 0.93 4.61 0.00 -1.26 -4.43 121.76 121.88 1vcx s ALA 43 Ca 0.00 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1vcx s ALA 43 Cb 0.00 -3.56 0.15 0.00 0.00 0.00 0.00 23.12 19.71 1vcx s ALA 43 CO 0.00 -1.09 1.09 -2.14 0.00 0.00 0.00 175.76 173.62 1vcx s PRO 44 N -2.41 0.98 0.56 0.00 0.02 -1.26 -0.77 135.00 132.11 1vcx s PRO 44 Ca 0.60 0.79 0.24 0.00 0.02 0.00 0.00 61.00 62.66 1vcx s PRO 44 Cb -0.42 -1.78 1.54 0.00 0.02 0.00 0.00 34.50 33.87 1vcx s PRO 44 CO 0.53 -2.43 2.16 0.87 -0.33 0.00 0.00 177.00 177.81 1vcx h LYS 45 N -1.68 0.00 0.00 5.54 1.57 -1.90 -2.06 116.57 118.04 1vcx h LYS 45 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1vcx h LYS 45 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1vcx h LYS 45 CO 0.54 0.00 0.03 0.66 -0.57 0.00 0.00 179.45 180.11 1vcx h SER 46 N 0.00 0.00 -0.60 0.86 4.64 -1.96 -2.17 113.55 114.32 1vcx h SER 46 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1vcx h SER 46 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1vcx h SER 46 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1vcx n GLU 47 N -2.75 2.95 -4.00 4.77 -0.58 -0.77 -4.91 120.64 115.34 1vcx n GLU 47 Ca -0.02 -2.40 -0.29 0.00 -0.42 0.00 0.00 57.16 54.03 1vcx n GLU 47 Cb 0.08 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.24 1vcx n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1vcx s PHE 48 N -1.49 3.32 -0.02 -0.32 0.40 -0.82 -0.72 117.98 118.35 1vcx s PHE 48 Ca 0.44 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.90 1vcx s PHE 48 Cb 0.26 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 42.14 1vcx s PHE 48 CO 0.25 0.54 -0.07 -2.00 0.70 0.00 0.00 175.22 174.64 1vcx s GLU 49 N -2.69 0.71 0.19 0.44 2.12 -0.44 -4.94 118.70 114.08 1vcx s GLU 49 Ca 0.32 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 1vcx s GLU 49 Cb -0.12 -0.68 -0.08 0.00 0.26 0.00 0.00 34.13 33.51 1vcx s GLU 49 CO 0.25 0.12 1.04 0.21 -0.54 0.00 0.00 175.26 176.33 1vcx s LYS 50 N 0.06 4.68 -0.88 4.30 2.20 -1.26 -0.41 119.74 128.42 1vcx s LYS 50 Ca -0.00 1.63 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 1vcx s LYS 50 Cb -0.06 -3.29 0.15 0.00 -1.51 0.00 0.00 37.83 33.13 1vcx s LYS 50 CO -0.00 0.21 1.00 -0.51 -0.36 0.00 0.00 175.35 175.69 1vcx s LEU 51 N -0.60 5.56 -0.04 5.43 1.43 -0.12 -4.91 118.68 125.42 1vcx s LEU 51 Ca 0.46 -2.18 -0.03 0.00 -1.03 0.00 0.00 54.13 51.36 1vcx s LEU 51 Cb -0.28 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1vcx s LEU 51 CO 0.34 -0.93 0.10 -1.61 0.23 0.00 0.00 176.35 174.48 1vcx s GLU 52 N 1.98 0.08 0.00 1.70 0.41 -1.26 -4.61 118.70 116.99 1vcx s GLU 52 Ca 0.27 0.23 0.17 0.00 -0.41 0.00 0.00 54.97 55.23 1vcx s GLU 52 Cb -0.08 -0.07 1.01 0.00 -1.78 0.00 0.00 34.13 33.21 1vcx s GLU 52 CO -0.08 -0.09 1.41 -0.40 -0.49 0.00 0.00 175.26 175.61