#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vjw s LYS 2 N 0.00 4.25 -0.12 0.03 1.02 -1.26 -1.12 119.74 122.54 1vjw s LYS 2 Ca 0.00 0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.35 1vjw s LYS 2 Cb 0.00 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1vjw s LYS 2 CO 0.00 0.03 -0.18 0.08 -0.92 0.00 0.00 175.35 174.36 1vjw s VAL 3 N 1.07 2.58 0.08 3.17 1.01 0.73 -0.65 120.40 128.39 1vjw s VAL 3 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1vjw s VAL 3 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1vjw s VAL 3 CO 0.09 0.54 -0.06 -0.13 0.00 0.00 0.00 175.10 175.54 1vjw s ARG 4 N 0.41 0.75 -0.03 2.72 1.81 -0.54 -4.66 118.95 119.41 1vjw s ARG 4 Ca -0.13 -1.25 0.02 0.00 -1.72 0.00 0.00 55.73 52.64 1vjw s ARG 4 Cb -0.17 -0.11 0.01 0.00 -0.45 0.00 0.00 34.95 34.23 1vjw s ARG 4 CO 0.06 -0.03 -0.07 0.08 -0.68 0.00 0.00 175.30 174.66 1vjw s VAL 5 N -3.49 0.61 -0.50 3.52 1.01 -1.26 -1.43 120.40 118.86 1vjw s VAL 5 Ca 0.09 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1vjw s VAL 5 Cb 0.04 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1vjw s VAL 5 CO -0.05 0.21 0.62 -0.62 0.00 0.00 0.00 175.10 175.26 1vjw s ASP 6 N 0.36 6.23 0.40 3.32 -1.08 0.40 -4.94 116.67 121.35 1vjw s ASP 6 Ca -0.05 -0.89 0.16 0.00 -0.52 0.00 0.00 52.55 51.25 1vjw s ASP 6 Cb -0.09 -2.29 1.03 0.00 -1.46 0.00 0.00 42.92 40.11 1vjw s ASP 6 CO 0.00 -0.88 1.85 0.00 0.52 0.00 0.00 175.17 176.66 1vjw h ALA 7 N 8.99 2.12 -0.02 3.66 0.00 -1.94 -1.44 119.26 130.63 1vjw h ALA 7 Ca -0.27 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1vjw h ALA 7 Cb 1.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1vjw h ALA 7 CO 0.96 -0.41 -0.29 -0.44 0.00 0.00 0.00 179.25 179.06 1vjw h ASP 8 N 0.47 0.04 1.04 0.00 3.32 -1.98 -2.81 116.42 116.50 1vjw h ASP 8 Ca 0.48 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.44 1vjw h ASP 8 Cb 1.11 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1vjw h ASP 8 CO -0.20 0.33 -1.00 0.00 -1.72 0.00 0.00 179.24 176.65 1vjw h ALA 9 N 1.67 0.63 -2.43 3.45 0.00 -1.66 -3.46 119.26 117.47 1vjw h ALA 9 Ca 0.00 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 1vjw h ALA 9 Cb 0.54 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1vjw h ALA 9 CO 0.04 0.46 0.85 0.00 0.00 0.00 0.00 179.25 180.60 1vjw n ILE 11 N 4.54 0.34 -2.13 0.00 -5.35 -1.26 -4.98 119.36 110.53 1vjw n ILE 11 Ca 0.13 -0.67 -0.12 0.00 -0.27 0.00 0.00 62.75 61.82 1vjw n ILE 11 Cb 0.43 1.13 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 1vjw n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vjw n GLY 12 N 1.35 0.04 0.27 3.28 0.00 -1.24 -4.94 105.19 103.95 1vjw n GLY 12 Ca 0.16 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1vjw n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vjw n GLY 14 N -0.34 0.74 0.36 0.00 0.00 -1.26 -4.98 105.19 99.71 1vjw n GLY 14 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1vjw n GLY 14 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vjw h VAL 15 N 0.00 1.10 -0.46 1.61 2.07 -1.96 -2.19 116.25 116.42 1vjw h VAL 15 Ca 0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1vjw h VAL 15 Cb 0.00 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1vjw h VAL 15 CO 0.00 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.85 1vjw h GLU 17 N 0.68 0.88 -0.50 0.00 4.81 -1.61 0.12 114.58 118.96 1vjw h GLU 17 Ca 0.15 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1vjw h GLU 17 Cb 0.30 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1vjw h GLU 17 CO 0.00 1.10 0.31 -0.91 -0.73 0.00 0.00 179.01 178.78 1vjw h ASN 18 N 0.72 0.58 0.88 1.04 2.35 -0.98 -2.22 115.58 117.96 1vjw h ASN 18 Ca 0.06 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 1vjw h ASN 18 Cb 0.95 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1vjw h ASN 18 CO 0.09 0.45 -1.09 -0.07 -1.65 0.00 0.00 177.43 175.16 1vjw h LEU 19 N 0.67 0.11 -5.53 1.61 3.38 -1.20 -3.42 115.31 110.93 1vjw h LEU 19 Ca 0.18 -0.13 -0.39 0.00 0.09 0.00 0.00 57.88 57.63 1vjw h LEU 19 Cb -0.04 -0.04 -0.28 0.00 0.09 0.00 0.00 40.66 40.40 1vjw h LEU 19 CO -0.04 1.10 -0.83 0.00 0.09 0.00 0.00 178.44 178.76 1vjw h PRO 21 N 3.68 0.00 0.00 0.00 0.13 -1.55 -0.10 132.00 134.15 1vjw h PRO 21 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1vjw h PRO 21 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1vjw h PRO 21 CO 0.38 0.00 -0.13 -0.25 -0.23 0.00 0.00 178.00 177.77 1vjw n ASP 22 N -3.64 0.70 -0.05 1.44 8.00 -1.26 -4.04 116.55 117.70 1vjw n ASP 22 Ca 0.03 0.46 -0.06 0.00 0.71 0.00 0.00 54.79 55.93 1vjw n ASP 22 Cb 0.40 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 1vjw n ASP 22 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1vjw n VAL 23 N -2.13 0.69 -4.72 2.53 0.31 -0.21 -4.41 118.33 110.39 1vjw n VAL 23 Ca 0.05 -0.38 -0.27 0.00 -0.01 0.00 0.00 64.34 63.74 1vjw n VAL 23 Cb 0.42 -0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 32.40 1vjw n VAL 23 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1vjw s PHE 24 N -2.24 1.93 -0.04 3.52 0.08 -0.30 -0.24 117.98 120.68 1vjw s PHE 24 Ca -0.09 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 1vjw s PHE 24 Cb 0.03 -1.15 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1vjw s PHE 24 CO 0.37 0.09 0.10 -1.14 -0.10 0.00 0.00 175.22 174.54 1vjw s GLN 25 N -1.16 0.06 -0.47 0.44 0.74 -0.65 -4.34 119.66 114.29 1vjw s GLN 25 Ca 0.08 0.25 -0.28 0.00 0.05 0.00 0.00 55.36 55.47 1vjw s GLN 25 Cb -0.09 -0.13 0.03 0.00 1.10 0.00 0.00 33.01 33.92 1vjw s GLN 25 CO 0.02 -0.12 1.06 -1.17 -0.55 0.00 0.00 175.29 174.52 1vjw s LEU 26 N 0.81 3.78 1.06 3.68 2.96 -1.26 0.09 118.68 129.80 1vjw s LEU 26 Ca -0.06 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.05 1vjw s LEU 26 Cb -0.09 -3.41 0.22 0.00 0.50 0.00 0.00 46.19 43.41 1vjw s LEU 26 CO -0.03 -1.17 1.12 -0.83 -1.32 0.00 0.00 176.35 174.12 1vjw s GLY 27 N 2.36 1.58 0.45 7.98 0.00 0.61 -4.93 107.32 115.38 1vjw s GLY 27 Ca 0.44 -0.66 0.20 0.00 0.00 0.00 0.00 44.72 44.69 1vjw s GLY 27 CO 0.29 0.05 1.95 -0.55 0.00 0.00 0.00 173.10 174.84 1vjw h ASP 28 N -2.08 0.00 0.00 1.64 3.32 -1.96 -2.25 116.42 115.09 1vjw h ASP 28 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1vjw h ASP 28 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1vjw h ASP 28 CO 0.49 0.23 0.00 -0.90 -1.72 0.00 0.00 179.24 177.34 1vjw n ASP 29 N -3.89 0.00 -0.50 6.45 5.75 -1.26 -4.87 116.55 118.23 1vjw n ASP 29 Ca -0.02 -1.33 -0.04 0.00 -0.01 0.00 0.00 54.79 53.39 1vjw n ASP 29 Cb 0.32 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1vjw n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vjw n GLY 30 N 0.59 0.21 3.13 6.12 0.00 -0.85 -5.05 105.19 109.34 1vjw n GLY 30 Ca 0.11 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1vjw n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vjw s LYS 31 N -4.24 0.71 0.46 1.61 -0.14 -1.26 -3.65 119.74 113.23 1vjw s LYS 31 Ca 0.00 -0.94 -0.21 0.00 -1.36 0.00 0.00 55.97 53.46 1vjw s LYS 31 Cb -0.00 -0.51 -0.09 0.00 -1.68 0.00 0.00 37.83 35.55 1vjw s LYS 31 CO 0.00 0.10 1.03 0.00 -0.76 0.00 0.00 175.35 175.72 1vjw s ALA 32 N -1.69 2.94 -0.03 5.17 0.00 -1.26 -0.28 121.76 126.62 1vjw s ALA 32 Ca -0.03 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1vjw s ALA 32 Cb -0.08 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1vjw s ALA 32 CO 0.01 -0.25 -0.20 0.21 0.00 0.00 0.00 175.76 175.53 1vjw s LYS 33 N -3.02 1.78 -0.51 0.00 2.20 0.11 -4.83 119.74 115.47 1vjw s LYS 33 Ca 0.64 -0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 55.37 1vjw s LYS 33 Cb -0.17 -1.64 0.08 0.00 -1.51 0.00 0.00 37.83 34.58 1vjw s LYS 33 CO 0.21 0.38 0.53 0.08 -0.36 0.00 0.00 175.35 176.19 1vjw s VAL 34 N -0.31 5.05 0.22 4.02 1.01 -1.26 -1.63 120.40 127.50 1vjw s VAL 34 Ca 0.04 -0.90 0.13 0.00 0.00 0.00 0.00 61.98 61.25 1vjw s VAL 34 Cb -0.09 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1vjw s VAL 34 CO 0.00 -0.76 1.63 -0.07 0.00 0.00 0.00 175.10 175.90 1vjw h LEU 35 N 9.26 0.00 -6.90 3.92 3.38 -0.90 -3.37 115.31 120.70 1vjw h LEU 35 Ca -0.28 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.08 1vjw h LEU 35 Cb 1.10 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.45 1vjw h LEU 35 CO 0.95 0.56 -0.74 -1.10 0.09 0.00 0.00 178.44 178.21 1vjw s GLN 36 N -3.54 1.58 0.60 1.13 -0.21 -1.23 -4.97 119.66 113.02 1vjw s GLN 36 Ca -0.01 -2.45 0.30 0.00 0.02 0.00 0.00 55.36 53.22 1vjw s GLN 36 Cb 0.12 -2.50 1.70 0.00 1.00 0.00 0.00 33.01 33.33 1vjw s GLN 36 CO 0.74 -1.25 2.09 -1.35 -2.12 0.00 0.00 175.29 173.41 1vjw h PRO 37 N 6.09 0.00 -4.02 2.91 0.11 -1.83 -3.35 132.00 131.91 1vjw h PRO 37 Ca 0.09 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.69 1vjw h PRO 37 Cb 0.87 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.60 1vjw h PRO 37 CO 0.54 0.00 -0.79 -2.00 -0.21 0.00 0.00 178.00 175.54 1vjw s GLU 38 N -4.56 1.20 0.13 1.05 2.56 -1.26 -0.20 118.70 117.62 1vjw s GLU 38 Ca -0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 54.97 54.60 1vjw s GLU 38 Cb 0.15 -1.60 -0.02 0.00 2.00 0.00 0.00 34.13 34.66 1vjw s GLU 38 CO 0.52 -0.36 0.19 -0.08 -0.56 0.00 0.00 175.26 174.97 1vjw s THR 39 N 1.77 0.10 -0.82 -1.70 -1.32 -0.27 -4.92 115.64 108.47 1vjw s THR 39 Ca 0.03 -1.47 0.07 0.00 -1.21 0.00 0.00 61.69 59.11 1vjw s THR 39 Cb -0.14 -1.73 0.05 0.00 -1.51 0.00 0.00 72.50 69.18 1vjw s THR 39 CO -0.07 -0.47 0.71 -0.90 -2.21 0.00 0.00 174.62 171.68 1vjw n ASP 40 N -0.13 1.56 -4.66 8.08 5.68 -1.26 -0.26 116.55 125.57 1vjw n ASP 40 Ca -0.09 -1.28 -0.42 0.00 -0.50 0.00 0.00 54.79 52.49 1vjw n ASP 40 Cb 0.63 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.58 1vjw n ASP 40 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1vjw s LEU 41 N -0.55 4.27 0.53 -2.12 1.43 -1.26 -4.89 118.68 116.09 1vjw s LEU 41 Ca 0.08 2.18 0.24 0.00 -1.03 0.00 0.00 54.13 55.61 1vjw s LEU 41 Cb 0.06 -3.53 1.38 0.00 0.03 0.00 0.00 46.19 44.12 1vjw s LEU 41 CO 0.08 -0.97 2.00 -0.65 0.23 0.00 0.00 176.35 177.04 1vjw h PRO 42 N 9.74 0.02 0.00 1.29 0.11 -2.03 -1.41 132.00 139.72 1vjw h PRO 42 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1vjw h PRO 42 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1vjw h PRO 42 CO 0.96 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1vjw h ALA 44 N 2.02 1.10 -0.27 0.00 0.00 -1.63 -0.03 119.26 120.45 1vjw h ALA 44 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1vjw h ALA 44 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1vjw h ALA 44 CO 0.00 0.65 -0.16 0.87 0.00 0.00 0.00 179.25 180.61 1vjw h LYS 45 N 1.13 0.59 -0.60 0.00 1.57 -1.60 -2.10 116.57 115.56 1vjw h LYS 45 Ca 0.26 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1vjw h LYS 45 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1vjw h LYS 45 CO -0.02 0.84 0.39 -0.44 -0.57 0.00 0.00 179.45 179.65 1vjw h ASP 46 N 0.33 0.68 -0.75 0.86 3.32 -1.41 -0.85 116.42 118.59 1vjw h ASP 46 Ca 0.06 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1vjw h ASP 46 Cb 0.68 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1vjw h ASP 46 CO 0.04 0.49 0.34 0.00 -1.72 0.00 0.00 179.24 178.40 1vjw h ALA 47 N 1.22 0.98 -0.38 3.45 0.00 -0.95 -1.33 119.26 122.26 1vjw h ALA 47 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vjw h ALA 47 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1vjw h ALA 47 CO -0.05 0.56 0.22 0.00 0.00 0.00 0.00 179.25 179.98 1vjw h ALA 48 N 1.17 0.48 0.00 0.00 0.00 -0.97 -1.15 119.26 118.79 1vjw h ALA 48 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1vjw h ALA 48 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vjw h ALA 48 CO -0.03 -0.01 -0.11 -0.44 0.00 0.00 0.00 179.25 178.66 1vjw h ASP 49 N 0.49 0.00 0.31 0.00 3.32 -0.85 -2.82 116.42 116.87 1vjw h ASP 49 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1vjw h ASP 49 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1vjw h ASP 49 CO -0.02 0.11 -0.81 -1.20 -1.72 0.00 0.00 179.24 175.60 1vjw n SER 50 N -3.44 0.69 -4.69 6.45 7.64 -0.53 -4.90 113.62 114.85 1vjw n SER 50 Ca -0.01 -0.49 -0.42 0.00 1.01 0.00 0.00 58.87 58.96 1vjw n SER 50 Cb 0.27 0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 64.09 1vjw n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vjw h PRO 52 N 8.52 0.00 0.00 0.00 0.13 -1.90 -3.09 132.00 135.67 1vjw h PRO 52 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1vjw h PRO 52 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vjw h PRO 52 CO 0.93 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.95 1vjw n THR 53 N -2.30 0.22 -2.10 1.56 -2.24 -1.26 -5.00 114.28 103.14 1vjw n THR 53 Ca 0.01 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.07 1vjw n THR 53 Cb 0.16 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1vjw n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vjw n GLY 54 N -0.11 0.13 0.23 3.38 0.00 -1.17 -4.90 105.19 102.76 1vjw n GLY 54 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1vjw n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vjw h ALA 55 N 0.56 1.09 -2.84 4.61 0.00 -1.86 -3.43 119.26 117.39 1vjw h ALA 55 Ca -0.35 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 1vjw h ALA 55 Cb 1.20 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1vjw h ALA 55 CO 0.43 0.27 -0.25 0.42 0.00 0.00 0.00 179.25 180.12 1vjw s ILE 56 N -3.80 5.18 -0.06 0.00 1.01 -1.26 -0.45 121.20 121.81 1vjw s ILE 56 Ca -0.00 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1vjw s ILE 56 Cb 0.11 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1vjw s ILE 56 CO 0.63 0.48 -0.14 -0.94 0.00 0.00 0.00 174.94 174.96 1vjw s SER 57 N -0.32 1.98 -0.16 3.58 1.04 -0.51 -4.88 113.70 114.42 1vjw s SER 57 Ca 0.21 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1vjw s SER 57 Cb -0.15 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.18 1vjw s SER 57 CO 0.09 0.08 -0.19 -0.69 0.98 0.00 0.00 173.24 173.51 1vjw s VAL 58 N 0.46 1.96 -0.89 5.02 1.01 -1.26 -1.47 120.40 125.23 1vjw s VAL 58 Ca -0.12 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1vjw s VAL 58 Cb -0.15 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.52 1vjw s VAL 58 CO 0.04 0.53 0.73 -0.62 0.00 0.00 0.00 175.10 175.77