#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvg s GLN 2 N 0.00 2.20 0.16 3.17 0.74 -1.26 -2.07 119.66 122.60 3dvg s GLN 2 Ca 0.00 -0.84 0.04 0.00 0.05 0.00 0.00 55.36 54.61 3dvg s GLN 2 Cb 0.00 -1.96 -0.05 0.00 1.10 0.00 0.00 33.01 32.11 3dvg s GLN 2 CO 0.00 0.40 -0.06 0.96 -0.55 0.00 0.00 175.29 176.04 3dvg s ILE 3 N -0.27 1.02 -0.10 -2.34 -4.36 -1.17 0.12 121.20 114.10 3dvg s ILE 3 Ca 0.01 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 3dvg s ILE 3 Cb -0.12 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 3dvg s ILE 3 CO 0.02 -0.64 -0.16 -0.36 0.24 0.00 0.00 174.94 174.04 3dvg s PHE 4 N -3.43 2.73 -0.23 1.37 0.40 -1.14 -1.89 117.98 115.80 3dvg s PHE 4 Ca 0.19 -0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 3dvg s PHE 4 Cb 0.04 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 3dvg s PHE 4 CO 0.02 -0.15 0.03 0.08 0.70 0.00 0.00 175.22 175.91 3dvg s VAL 5 N 0.07 4.10 -0.15 -0.44 1.01 0.26 -1.39 120.40 123.85 3dvg s VAL 5 Ca -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3dvg s VAL 5 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3dvg s VAL 5 CO 0.05 0.39 0.04 -0.75 0.00 0.00 0.00 175.10 174.83 3dvg s LYS 6 N 1.32 3.70 0.00 2.72 2.20 -0.34 -0.33 119.74 129.01 3dvg s LYS 6 Ca 0.04 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3dvg s LYS 6 Cb -0.15 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3dvg s LYS 6 CO 0.02 0.40 0.00 0.25 -0.36 0.00 0.00 175.35 175.66 3dvg n THR 7 N 3.12 0.00 0.00 3.43 -2.24 -1.26 -1.42 114.28 115.91 3dvg n THR 7 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3dvg n THR 7 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3dvg n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dvg n LEU 8 N 0.00 0.00 0.13 3.22 4.77 -1.26 -4.65 117.00 119.21 3dvg n LEU 8 Ca 0.00 -0.17 0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3dvg n LEU 8 Cb 0.00 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.49 3dvg n LEU 8 CO 0.00 0.00 0.88 0.71 -1.33 0.00 0.00 177.39 177.65 3dvg h THR 9 N 0.00 0.00 0.00 -5.08 1.35 -1.98 -3.47 112.91 103.73 3dvg h THR 9 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3dvg h THR 9 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3dvg h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3dvg n GLY 10 N 1.04 0.56 3.55 5.82 0.00 -1.26 -5.01 105.19 109.88 3dvg n GLY 10 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3dvg n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dvg s LYS 11 N -0.86 3.99 0.13 1.61 2.20 -1.26 -4.90 119.74 120.64 3dvg s LYS 11 Ca 0.00 -2.09 -0.30 0.00 -0.36 0.00 0.00 55.97 53.22 3dvg s LYS 11 Cb 0.00 -5.42 -0.07 0.00 -1.51 0.00 0.00 37.83 30.83 3dvg s LYS 11 CO 0.00 -2.14 1.26 0.99 -0.36 0.00 0.00 175.35 175.10 3dvg s THR 12 N 3.65 3.60 0.05 3.43 2.01 -1.26 -4.20 115.64 122.92 3dvg s THR 12 Ca 0.51 1.22 0.06 0.00 0.31 0.00 0.00 61.69 63.79 3dvg s THR 12 Cb 0.02 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3dvg s THR 12 CO 0.05 0.14 -0.12 0.27 -0.69 0.00 0.00 174.62 174.27 3dvg s ILE 13 N 0.62 3.25 0.60 1.82 -4.36 0.55 -4.95 121.20 118.73 3dvg s ILE 13 Ca 0.58 -1.08 -0.09 0.00 -0.26 0.00 0.00 60.65 59.80 3dvg s ILE 13 Cb -0.33 -2.44 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 3dvg s ILE 13 CO 0.33 0.28 0.96 0.42 0.24 0.00 0.00 174.94 177.17 3dvg s THR 14 N -1.04 4.17 0.15 8.37 -4.23 -1.26 -0.57 115.64 121.22 3dvg s THR 14 Ca 0.18 0.40 -0.21 0.00 -1.18 0.00 0.00 61.69 60.88 3dvg s THR 14 Cb -0.11 -3.66 0.06 0.00 1.34 0.00 0.00 72.50 70.13 3dvg s THR 14 CO 0.09 -0.77 0.54 -0.22 -0.54 0.00 0.00 174.62 173.72 3dvg s LEU 15 N -5.08 -0.29 -0.06 4.79 2.96 -0.79 -4.85 118.68 115.36 3dvg s LEU 15 Ca 0.54 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3dvg s LEU 15 Cb -0.11 2.38 0.03 0.00 0.50 0.00 0.00 46.19 48.99 3dvg s LEU 15 CO 0.49 -0.94 -0.00 -1.61 -1.32 0.00 0.00 176.35 172.97 3dvg s GLU 16 N -3.77 0.58 0.21 1.98 2.02 -1.26 -3.02 118.70 115.43 3dvg s GLU 16 Ca 0.02 0.08 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 3dvg s GLU 16 Cb -0.00 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.35 3dvg s GLU 16 CO -0.12 -0.25 0.37 0.14 0.02 0.00 0.00 175.26 175.42 3dvg s VAL 17 N 1.70 0.03 0.21 2.63 -7.23 -0.88 -5.01 120.40 111.85 3dvg s VAL 17 Ca 0.01 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 3dvg s VAL 17 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 3dvg s VAL 17 CO -0.04 -0.12 0.26 -1.61 -0.31 0.00 0.00 175.10 173.28 3dvg s GLU 18 N -4.00 3.19 0.43 4.82 0.41 -1.26 -1.30 118.70 120.98 3dvg s GLU 18 Ca 0.21 -0.84 0.09 0.00 -0.41 0.00 0.00 54.97 54.02 3dvg s GLU 18 Cb 0.02 -2.76 0.93 0.00 -1.78 0.00 0.00 34.13 30.53 3dvg s GLU 18 CO 0.05 0.45 2.06 -1.35 -0.49 0.00 0.00 175.26 175.98 3dvg h PRO 19 N 1.66 0.40 0.00 0.39 0.11 -1.97 -2.48 132.00 130.11 3dvg h PRO 19 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dvg h PRO 19 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dvg h PRO 19 CO 0.63 0.29 0.00 -1.13 -0.21 0.00 0.00 178.00 177.58 3dvg n SER 20 N -4.46 0.00 -4.71 -2.05 3.41 -1.26 -2.35 113.62 102.19 3dvg n SER 20 Ca 0.01 -0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 3dvg n SER 20 Cb 0.09 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 3dvg n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3dvg s ASP 21 N -2.54 6.81 0.82 4.04 1.01 -0.94 -4.84 116.67 121.03 3dvg s ASP 21 Ca 0.24 2.31 -0.11 0.00 0.71 0.00 0.00 52.55 55.70 3dvg s ASP 21 Cb 0.17 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.60 3dvg s ASP 21 CO 0.37 -0.69 1.09 0.42 0.21 0.00 0.00 175.17 176.58 3dvg s THR 22 N 1.44 3.01 0.19 -1.27 -4.23 -1.26 -2.32 115.64 111.20 3dvg s THR 22 Ca 0.65 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 61.41 3dvg s THR 22 Cb -0.36 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.55 3dvg s THR 22 CO 0.30 -0.43 1.62 0.40 -0.54 0.00 0.00 174.62 175.97 3dvg h ILE 23 N -1.22 1.27 -0.95 2.99 1.08 -1.73 -2.75 117.51 116.20 3dvg h ILE 23 Ca -0.47 -1.25 0.05 0.00 -0.39 0.00 0.00 64.86 62.79 3dvg h ILE 23 Cb 1.27 0.99 -0.06 0.00 -3.07 0.00 0.00 36.82 35.95 3dvg h ILE 23 CO 0.57 0.44 0.62 -0.08 -0.69 0.00 0.00 178.15 179.00 3dvg h GLU 24 N 0.86 1.13 0.00 2.37 4.81 -1.86 -2.53 114.58 119.36 3dvg h GLU 24 Ca 0.13 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3dvg h GLU 24 Cb 0.66 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3dvg h GLU 24 CO 0.05 0.75 -0.35 -0.97 -0.73 0.00 0.00 179.01 177.75 3dvg h ASN 25 N 1.16 0.00 -0.05 1.04 -1.24 -1.89 -2.55 115.58 112.06 3dvg h ASN 25 Ca 0.39 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.27 3dvg h ASN 25 Cb 0.07 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.13 3dvg h ASN 25 CO -0.14 0.35 -0.49 0.58 -1.29 0.00 0.00 177.43 176.44 3dvg h VAL 26 N 0.00 1.42 -0.33 2.57 2.07 -1.18 -2.63 116.25 118.17 3dvg h VAL 26 Ca -0.00 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 3dvg h VAL 26 Cb 0.90 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 3dvg h VAL 26 CO 0.05 0.56 0.14 0.11 0.02 0.00 0.00 177.57 178.44 3dvg h LYS 27 N -0.08 0.45 -0.08 1.57 1.57 -1.41 -1.36 116.57 117.24 3dvg h LYS 27 Ca -0.05 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 3dvg h LYS 27 Cb 1.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3dvg h LYS 27 CO 0.10 0.37 -0.45 0.00 -0.57 0.00 0.00 179.45 178.90 3dvg h ALA 28 N 1.70 1.09 -0.10 3.86 0.00 -1.45 -2.10 119.26 122.26 3dvg h ALA 28 Ca 0.11 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3dvg h ALA 28 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dvg h ALA 28 CO -0.01 0.61 -0.61 0.87 0.00 0.00 0.00 179.25 180.11 3dvg h LYS 29 N 0.15 0.36 -0.16 0.00 1.57 -0.89 -2.84 116.57 114.76 3dvg h LYS 29 Ca 0.01 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.37 3dvg h LYS 29 Cb 0.87 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3dvg h LYS 29 CO 0.07 0.86 -0.60 0.82 -0.57 0.00 0.00 179.45 180.03 3dvg h ILE 30 N 0.27 1.33 -0.90 1.86 2.04 -1.22 -3.16 117.51 117.73 3dvg h ILE 30 Ca -0.01 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.03 3dvg h ILE 30 Cb 1.14 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 3dvg h ILE 30 CO 0.10 0.58 0.57 -0.61 0.00 0.00 0.00 178.15 178.80 3dvg h GLN 31 N 0.41 1.05 -0.13 2.37 4.15 -1.30 0.25 115.11 121.91 3dvg h GLN 31 Ca -0.00 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.39 3dvg h GLN 31 Cb 1.16 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 3dvg h GLN 31 CO 0.11 0.69 0.12 -0.44 -1.93 0.00 0.00 178.83 177.39 3dvg h ASP 32 N 1.08 0.00 0.00 -0.69 3.32 -1.46 0.68 116.42 119.34 3dvg h ASP 32 Ca 0.38 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 3dvg h ASP 32 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3dvg h ASP 32 CO -0.15 0.00 -1.39 2.29 -1.72 0.00 0.00 179.24 178.28 3dvg n LYS 33 N -4.03 1.47 -0.02 3.56 2.85 -1.04 -4.76 118.16 116.19 3dvg n LYS 33 Ca 0.00 -0.04 0.06 0.00 -1.05 0.00 0.00 58.31 57.28 3dvg n LYS 33 Cb 0.24 -1.17 -0.14 0.00 -0.65 0.00 0.00 35.03 33.31 3dvg n LYS 33 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3dvg n GLU 34 N -1.98 0.68 -2.68 -1.58 4.07 0.87 -5.03 120.64 114.99 3dvg n GLU 34 Ca -0.06 -0.13 -0.07 0.00 -0.06 0.00 0.00 57.16 56.84 3dvg n GLU 34 Cb 0.43 -1.42 0.02 0.00 -0.06 0.00 0.00 31.44 30.41 3dvg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dvg n GLY 35 N 1.59 0.45 2.87 8.31 0.00 0.22 -5.00 105.19 113.63 3dvg n GLY 35 Ca -0.08 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 3dvg n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dvg s ILE 36 N -2.94 0.94 0.28 -0.61 1.01 -1.26 -5.06 121.20 113.57 3dvg s ILE 36 Ca 0.14 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 3dvg s ILE 36 Cb -0.06 -1.09 -0.14 0.00 0.01 0.00 0.00 42.46 41.18 3dvg s ILE 36 CO 0.17 0.19 1.05 -2.65 0.00 0.00 0.00 174.94 173.70 3dvg n PRO 37 N 4.94 1.41 -0.19 2.79 -0.02 -1.26 -4.24 135.00 138.44 3dvg n PRO 37 Ca -0.11 0.50 0.23 0.00 -2.02 0.00 0.00 63.50 62.10 3dvg n PRO 37 Cb 0.49 -1.90 0.62 0.00 -0.02 0.00 0.00 33.50 32.68 3dvg n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dvg h PRO 38 N 2.21 0.19 0.00 0.52 0.11 -1.96 -0.80 132.00 132.27 3dvg h PRO 38 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dvg h PRO 38 Cb 1.33 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dvg h PRO 38 CO 0.62 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3dvg n ASP 39 N -4.40 0.00 -0.96 -2.05 3.85 -1.26 -1.76 116.55 109.97 3dvg n ASP 39 Ca 0.18 -0.28 0.09 0.00 -0.71 0.00 0.00 54.79 54.06 3dvg n ASP 39 Cb 0.79 -0.20 0.22 0.00 -1.35 0.00 0.00 41.12 40.59 3dvg n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3dvg n GLN 40 N -1.20 2.68 -4.52 0.11 6.02 -0.31 -4.91 117.38 115.26 3dvg n GLN 40 Ca 0.14 -2.28 -0.34 0.00 -0.01 0.00 0.00 57.00 54.51 3dvg n GLN 40 Cb 0.16 -1.41 -0.12 0.00 1.02 0.00 0.00 30.24 29.89 3dvg n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3dvg s GLN 41 N -1.04 3.38 -0.15 -1.09 -0.21 -0.73 0.01 119.66 119.84 3dvg s GLN 41 Ca 0.34 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.18 3dvg s GLN 41 Cb 0.18 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.43 3dvg s GLN 41 CO 0.24 0.35 -0.17 0.50 -2.12 0.00 0.00 175.29 174.09 3dvg s ARG 42 N 0.04 2.62 -0.10 2.91 3.52 0.82 -4.96 118.95 123.79 3dvg s ARG 42 Ca -0.01 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.88 3dvg s ARG 42 Cb -0.14 -2.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.94 3dvg s ARG 42 CO 0.03 -0.18 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.82 3dvg s LEU 43 N 1.27 3.43 -0.00 -0.88 1.43 -1.26 -0.73 118.68 121.94 3dvg s LEU 43 Ca 0.02 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3dvg s LEU 43 Cb -0.13 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dvg s LEU 43 CO -0.09 0.32 -0.15 -0.63 0.23 0.00 0.00 176.35 176.03 3dvg s ILE 44 N -0.56 1.18 -0.13 -0.59 -1.09 -0.11 -1.62 121.20 118.29 3dvg s ILE 44 Ca 0.09 -0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 57.68 3dvg s ILE 44 Cb -0.12 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.80 3dvg s ILE 44 CO 0.02 0.27 0.34 0.12 -1.23 0.00 0.00 174.94 174.46 3dvg s PHE 45 N -0.45 -0.38 0.00 3.97 5.36 -0.75 -1.72 117.98 124.01 3dvg s PHE 45 Ca 0.05 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 3dvg s PHE 45 Cb -0.06 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 3dvg s PHE 45 CO -0.00 -0.19 0.00 0.00 -1.46 0.00 0.00 175.22 173.57 3dvg n ALA 46 N 2.96 0.00 0.00 11.12 0.00 -1.26 -0.53 120.51 132.79 3dvg n ALA 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3dvg n ALA 46 Cb 0.57 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3dvg n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dvg n GLY 47 N -2.00 2.38 3.80 0.00 0.00 -1.26 -5.11 105.19 103.00 3dvg n GLY 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3dvg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dvg s LYS 48 N -0.14 4.41 0.31 1.61 1.02 0.31 -5.07 119.74 122.18 3dvg s LYS 48 Ca 0.00 1.11 -0.27 0.00 0.02 0.00 0.00 55.97 56.83 3dvg s LYS 48 Cb 0.00 -2.79 -0.10 0.00 -0.52 0.00 0.00 37.83 34.43 3dvg s LYS 48 CO 0.00 0.31 0.97 -1.14 -0.92 0.00 0.00 175.35 174.56 3dvg s GLN 49 N -2.11 4.60 -0.16 1.68 0.74 -1.26 -1.82 119.66 121.33 3dvg s GLN 49 Ca 0.48 1.42 -0.08 0.00 0.05 0.00 0.00 55.36 57.23 3dvg s GLN 49 Cb -0.17 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 3dvg s GLN 49 CO 0.22 0.28 0.11 -0.51 -0.55 0.00 0.00 175.29 174.84 3dvg s LEU 50 N -1.88 4.12 0.09 3.68 1.43 -0.64 -4.95 118.68 120.53 3dvg s LEU 50 Ca 0.49 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3dvg s LEU 50 Cb -0.22 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 3dvg s LEU 50 CO 0.27 0.26 0.43 -0.70 0.23 0.00 0.00 176.35 176.84 3dvg s GLU 51 N -0.12 3.81 0.00 1.70 2.12 -1.26 -4.70 118.70 120.25 3dvg s GLU 51 Ca 0.09 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.67 3dvg s GLU 51 Cb -0.12 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.29 3dvg s GLU 51 CO 0.01 0.54 0.99 -0.25 -0.54 0.00 0.00 175.26 176.00 3dvg n ASP 52 N 0.88 2.78 0.00 -1.70 8.00 -1.26 -3.27 116.55 121.98 3dvg n ASP 52 Ca -0.07 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3dvg n ASP 52 Cb 0.52 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3dvg n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dvg n GLY 53 N 1.07 0.00 3.75 0.44 0.00 -1.26 -4.44 105.19 104.75 3dvg n GLY 53 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3dvg n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dvg s ARG 54 N -1.30 0.67 0.56 1.61 1.81 -1.20 -4.84 118.95 116.25 3dvg s ARG 54 Ca 0.00 0.26 0.07 0.00 -1.72 0.00 0.00 55.73 54.34 3dvg s ARG 54 Cb 0.00 -1.79 0.06 0.00 -0.45 0.00 0.00 34.95 32.77 3dvg s ARG 54 CO 0.00 -2.51 0.55 0.95 -0.68 0.00 0.00 175.30 173.61 3dvg s THR 55 N -3.21 1.83 0.16 0.02 -4.23 -1.26 -2.39 115.64 106.56 3dvg s THR 55 Ca 0.65 -1.31 -0.13 0.00 -1.18 0.00 0.00 61.69 59.73 3dvg s THR 55 Cb -0.15 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.60 3dvg s THR 55 CO 0.55 0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 176.24 3dvg h LEU 56 N 0.53 0.79 -1.65 4.79 3.38 -1.11 -2.97 115.31 119.07 3dvg h LEU 56 Ca -0.34 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 3dvg h LEU 56 Cb 1.30 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dvg h LEU 56 CO 0.51 0.79 -0.13 0.77 0.09 0.00 0.00 178.44 180.47 3dvg h SER 57 N 0.75 0.00 0.62 -0.43 4.64 -1.75 -1.58 113.55 115.80 3dvg h SER 57 Ca 0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 3dvg h SER 57 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3dvg h SER 57 CO -0.00 0.13 -0.30 0.44 -0.87 0.00 0.00 176.83 176.22 3dvg h ASP 58 N 0.00 -0.70 0.00 4.97 3.45 -1.82 -2.10 116.42 120.22 3dvg h ASP 58 Ca -0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3dvg h ASP 58 Cb 0.48 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 3dvg h ASP 58 CO 0.02 -0.43 0.00 -1.22 -1.57 0.00 0.00 179.24 176.04 3dvg n TYR 59 N -5.41 0.00 -3.38 4.55 4.02 -1.20 -4.93 117.16 110.82 3dvg n TYR 59 Ca -0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.59 3dvg n TYR 59 Cb 0.35 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.68 3dvg n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3dvg n ASN 60 N -0.92 -6.32 -4.68 7.72 4.05 -0.79 -5.00 115.26 109.32 3dvg n ASN 60 Ca 0.14 -0.32 -0.35 0.00 0.45 0.00 0.00 54.58 54.49 3dvg n ASN 60 Cb 0.06 -3.31 -0.09 0.00 1.23 0.00 0.00 39.78 37.67 3dvg n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3dvg s ILE 61 N -2.65 4.84 0.57 -1.44 1.01 -0.65 -5.00 121.20 117.88 3dvg s ILE 61 Ca 0.11 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.80 3dvg s ILE 61 Cb -0.02 -3.15 0.07 0.00 0.01 0.00 0.00 42.46 39.37 3dvg s ILE 61 CO 0.83 0.50 0.55 0.00 0.00 0.00 0.00 174.94 176.83 3dvg n GLN 62 N 3.10 0.64 -2.04 2.79 6.02 -1.26 -4.71 117.38 121.91 3dvg n GLN 62 Ca -0.17 -3.40 -0.41 0.00 -0.01 0.00 0.00 57.00 53.01 3dvg n GLN 62 Cb 0.53 0.16 -0.02 0.00 1.02 0.00 0.00 30.24 31.94 3dvg n GLN 62 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3dvg s ARG 63 N -4.43 4.30 -1.76 -1.09 1.70 -1.26 -2.85 118.95 113.54 3dvg s ARG 63 Ca 0.42 2.30 0.00 0.00 -0.47 0.00 0.00 55.73 57.98 3dvg s ARG 63 Cb -0.03 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 3dvg s ARG 63 CO 0.27 -0.29 0.00 0.39 -1.08 0.00 0.00 175.30 174.59 3dvg n GLU 64 N 0.92 -1.18 -2.89 3.89 4.71 0.33 -4.97 120.64 121.45 3dvg n GLU 64 Ca 0.01 1.08 -0.37 0.00 -0.01 0.00 0.00 57.16 57.88 3dvg n GLU 64 Cb 0.41 -5.30 -0.06 0.00 -1.01 0.00 0.00 31.44 25.48 3dvg n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3dvg s SER 65 N -2.81 7.26 -0.14 1.62 0.01 -1.13 -4.84 113.70 113.66 3dvg s SER 65 Ca 0.00 1.70 -0.15 0.00 1.31 0.00 0.00 55.95 58.81 3dvg s SER 65 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3dvg s SER 65 CO 0.00 -0.02 0.34 -0.89 0.41 0.00 0.00 173.24 173.08 3dvg s THR 66 N -1.56 5.27 -0.00 1.44 2.01 -1.26 -2.87 115.64 118.67 3dvg s THR 66 Ca 0.47 0.65 0.03 0.00 0.31 0.00 0.00 61.69 63.15 3dvg s THR 66 Cb -0.18 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3dvg s THR 66 CO 0.23 0.39 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.74 3dvg s LEU 67 N 0.39 3.28 -0.13 4.42 1.43 -0.49 -4.83 118.68 122.75 3dvg s LEU 67 Ca 0.19 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3dvg s LEU 67 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3dvg s LEU 67 CO 0.06 0.29 0.03 -1.00 0.23 0.00 0.00 176.35 175.96 3dvg s HIS 68 N -1.02 3.22 -0.15 0.29 3.76 -0.70 -1.20 115.29 119.50 3dvg s HIS 68 Ca 0.18 0.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 3dvg s HIS 68 Cb -0.11 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.64 3dvg s HIS 68 CO 0.08 0.31 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.96 3dvg s LEU 69 N -0.28 2.45 -0.14 0.89 2.96 -0.51 -0.93 118.68 123.13 3dvg s LEU 69 Ca 0.07 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3dvg s LEU 69 Cb -0.12 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3dvg s LEU 69 CO 0.02 0.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.37 3dvg s VAL 70 N 0.78 3.53 -0.10 1.68 1.01 0.09 -4.60 120.40 122.79 3dvg s VAL 70 Ca -0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3dvg s VAL 70 Cb -0.15 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3dvg s VAL 70 CO 0.00 0.51 0.28 -0.76 0.00 0.00 0.00 175.10 175.14 3dvg s LEU 71 N 0.26 4.36 -0.89 3.92 1.43 -1.26 -0.13 118.68 126.37 3dvg s LEU 71 Ca -0.06 0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 53.48 3dvg s LEU 71 Cb -0.15 -2.34 0.11 0.00 0.03 0.00 0.00 46.19 43.84 3dvg s LEU 71 CO 0.04 0.27 1.15 -0.13 0.23 0.00 0.00 176.35 177.91 3dvg s ARG 72 N -0.48 3.51 -0.19 1.70 0.52 0.10 -4.75 118.95 119.36 3dvg s ARG 72 Ca 0.18 -1.48 0.04 0.00 -0.52 0.00 0.00 55.73 53.95 3dvg s ARG 72 Cb -0.14 -4.86 -0.14 0.00 0.52 0.00 0.00 34.95 30.33 3dvg s ARG 72 CO 0.07 -1.85 -0.12 1.28 0.02 0.00 0.00 175.30 174.69 3dvg n LEU 73 N 7.15 2.30 -4.53 2.53 4.77 -1.26 -4.82 117.00 123.14 3dvg n LEU 73 Ca 0.20 -0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 3dvg n LEU 73 Cb 0.49 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3dvg n LEU 73 CO 0.55 0.73 -0.39 -0.60 -1.33 0.00 0.00 177.39 176.35 3dvg s ARG 74 N -2.39 2.90 0.51 3.23 6.06 -1.26 -5.14 118.95 122.85 3dvg s ARG 74 Ca -0.22 -0.58 0.03 0.00 -2.50 0.00 0.00 55.73 52.46 3dvg s ARG 74 Cb 0.06 -2.60 0.02 0.00 0.06 0.00 0.00 34.95 32.49 3dvg s ARG 74 CO 0.49 0.55 0.71 0.20 -2.50 0.00 0.00 175.30 174.76 3dvg s GLY 75 N -0.52 1.84 0.00 8.12 0.00 -1.26 -5.18 107.32 110.32 3dvg s GLY 75 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3dvg s GLY 75 CO 0.02 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.57