#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb1 s THR 2 N 0.00 5.22 0.05 2.03 2.01 -1.26 -1.53 115.64 122.16 3gb1 s THR 2 Ca 0.00 0.75 0.08 0.00 0.31 0.00 0.00 61.69 62.83 3gb1 s THR 2 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3gb1 s THR 2 CO 0.00 0.39 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.80 3gb1 s TYR 3 N 0.29 2.47 0.03 4.92 2.02 -1.00 -4.94 117.35 121.14 3gb1 s TYR 3 Ca 0.21 -0.31 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 3gb1 s TYR 3 Cb -0.14 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 3gb1 s TYR 3 CO 0.08 0.23 -0.12 0.21 -1.57 0.00 0.00 175.55 174.38 3gb1 s LYS 4 N -1.46 2.31 -0.11 -0.62 2.20 -0.99 -2.55 119.74 118.53 3gb1 s LYS 4 Ca 0.14 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.92 3gb1 s LYS 4 Cb -0.10 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3gb1 s LYS 4 CO 0.05 0.56 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.22 3gb1 s LEU 5 N -1.53 2.00 -0.25 5.43 2.96 -0.69 0.92 118.68 127.52 3gb1 s LEU 5 Ca 0.17 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 3gb1 s LEU 5 Cb -0.11 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 3gb1 s LEU 5 CO 0.08 0.10 0.11 -0.63 -1.32 0.00 0.00 176.35 174.69 3gb1 s ILE 6 N 0.63 4.75 -0.39 6.68 -1.09 -0.46 -2.08 121.20 129.24 3gb1 s ILE 6 Ca -0.13 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.13 3gb1 s ILE 6 Cb -0.16 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 3gb1 s ILE 6 CO 0.03 0.33 0.28 -0.76 -1.23 0.00 0.00 174.94 173.59 3gb1 s LEU 7 N 1.44 4.92 -0.75 2.97 1.43 0.89 -2.99 118.68 126.58 3gb1 s LEU 7 Ca 0.06 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3gb1 s LEU 7 Cb -0.15 -2.14 0.27 0.00 0.03 0.00 0.00 46.19 44.20 3gb1 s LEU 7 CO 0.06 -0.39 0.97 0.59 0.23 0.00 0.00 176.35 177.81 3gb1 n ASN 8 N 5.13 4.58 -4.88 2.29 3.02 -1.16 -1.64 115.26 122.60 3gb1 n ASN 8 Ca -0.12 -3.47 -0.30 0.00 -0.03 0.00 0.00 54.58 50.67 3gb1 n ASN 8 Cb 0.48 -0.82 0.04 0.00 -0.61 0.00 0.00 39.78 38.87 3gb1 n ASN 8 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gb1 s GLY 9 N -2.36 1.63 0.23 7.41 0.00 0.51 -3.34 107.32 111.40 3gb1 s GLY 9 Ca 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.76 3gb1 s GLY 9 CO 0.01 0.05 1.67 0.50 0.00 0.00 0.00 173.10 175.33 3gb1 h LYS 10 N -0.62 0.81 0.00 2.90 1.57 -1.97 -3.31 116.57 115.94 3gb1 h LYS 10 Ca -0.45 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.03 3gb1 h LYS 10 Cb 1.25 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3gb1 h LYS 10 CO 0.63 0.90 -1.26 0.25 -0.57 0.00 0.00 179.45 179.40 3gb1 n THR 11 N -4.15 0.08 -3.85 -0.16 -2.24 -1.26 -4.98 114.28 97.72 3gb1 n THR 11 Ca 0.01 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 3gb1 n THR 11 Cb 0.38 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 3gb1 n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gb1 s LEU 12 N -3.60 3.93 -0.02 3.22 2.96 -1.25 -5.08 118.68 118.84 3gb1 s LEU 12 Ca -0.02 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3gb1 s LEU 12 Cb 0.03 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.73 3gb1 s LEU 12 CO 0.22 0.13 0.03 -0.54 -1.32 0.00 0.00 176.35 174.87 3gb1 s LYS 13 N 0.63 -0.03 0.00 1.98 1.02 -1.26 0.19 119.74 122.27 3gb1 s LYS 13 Ca 0.05 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.26 3gb1 s LYS 13 Cb -0.13 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 3gb1 s LYS 13 CO 0.01 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 3gb1 n GLY 14 N 4.40 -1.28 3.21 -3.33 0.00 -0.65 -5.01 105.19 102.52 3gb1 n GLY 14 Ca -0.23 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3gb1 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gb1 s GLU 15 N -1.01 0.76 0.25 1.61 -1.05 -1.26 -0.07 118.70 117.92 3gb1 s GLU 15 Ca 0.00 -0.64 -0.15 0.00 -0.15 0.00 0.00 54.97 54.03 3gb1 s GLU 15 Cb 0.00 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3gb1 s GLU 15 CO 0.00 -0.23 0.53 -0.08 0.95 0.00 0.00 175.26 176.43 3gb1 s THR 16 N -2.77 0.00 0.10 1.83 -1.32 -0.88 -4.99 115.64 107.61 3gb1 s THR 16 Ca -0.03 -1.25 0.03 0.00 -1.21 0.00 0.00 61.69 59.22 3gb1 s THR 16 Cb -0.00 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.86 3gb1 s THR 16 CO -0.05 -0.02 -0.08 0.42 -2.21 0.00 0.00 174.62 172.68 3gb1 s THR 17 N -3.98 0.82 0.13 5.08 -4.23 -1.26 -1.71 115.64 110.49 3gb1 s THR 17 Ca 0.18 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 3gb1 s THR 17 Cb -0.02 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.27 3gb1 s THR 17 CO 0.07 -0.76 0.46 0.28 -0.54 0.00 0.00 174.62 174.13 3gb1 s THR 18 N -3.22 0.05 -0.15 3.99 -1.32 -1.06 -5.01 115.64 108.92 3gb1 s THR 18 Ca 0.10 -0.41 -0.06 0.00 -1.21 0.00 0.00 61.69 60.12 3gb1 s THR 18 Cb 0.02 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 3gb1 s THR 18 CO -0.03 -0.23 0.06 -0.70 -2.21 0.00 0.00 174.62 171.52 3gb1 s GLU 19 N -3.67 3.64 -0.08 7.08 2.56 -1.26 -2.37 118.70 124.61 3gb1 s GLU 19 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 54.97 54.55 3gb1 s GLU 19 Cb 0.01 -3.10 0.02 0.00 2.00 0.00 0.00 34.13 33.06 3gb1 s GLU 19 CO -0.11 0.47 0.28 0.00 -0.56 0.00 0.00 175.26 175.33 3gb1 s ALA 20 N -0.18 -0.70 0.53 6.30 0.00 -0.58 -4.99 121.76 122.14 3gb1 s ALA 20 Ca 0.07 0.61 0.19 0.00 0.00 0.00 0.00 51.96 52.84 3gb1 s ALA 20 Cb -0.12 -0.29 1.37 0.00 0.00 0.00 0.00 23.12 24.08 3gb1 s ALA 20 CO 0.01 -0.17 2.16 -0.39 0.00 0.00 0.00 175.76 177.37 3gb1 h VAL 21 N 4.45 0.90 -3.22 0.00 -1.51 -1.98 1.43 116.25 116.33 3gb1 h VAL 21 Ca -0.27 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.11 3gb1 h VAL 21 Cb 1.19 1.03 -0.04 0.00 -2.13 0.00 0.00 31.29 31.35 3gb1 h VAL 21 CO 0.35 0.02 0.16 1.51 -1.23 0.00 0.00 177.57 178.37 3gb1 s ASP 22 N -6.85 0.02 0.20 4.19 -4.77 -1.26 -3.08 116.67 105.12 3gb1 s ASP 22 Ca -0.05 -1.00 -0.06 0.00 -3.30 0.00 0.00 52.55 48.15 3gb1 s ASP 22 Cb 0.16 0.76 0.14 0.00 -1.09 0.00 0.00 42.92 42.90 3gb1 s ASP 22 CO 0.64 -1.47 1.62 0.00 0.70 0.00 0.00 175.17 176.66 3gb1 h ALA 23 N 2.04 0.84 -0.92 2.11 0.00 -1.94 -2.80 119.26 118.60 3gb1 h ALA 23 Ca -0.27 -0.36 0.19 0.00 0.00 0.00 0.00 54.91 54.47 3gb1 h ALA 23 Cb 1.25 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3gb1 h ALA 23 CO 0.34 0.64 0.60 0.00 0.00 0.00 0.00 179.25 180.83 3gb1 h ALA 24 N 1.03 2.04 -0.07 0.00 0.00 -1.99 0.22 119.26 120.49 3gb1 h ALA 24 Ca 0.11 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3gb1 h ALA 24 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gb1 h ALA 24 CO 0.06 -0.34 -0.73 1.79 0.00 0.00 0.00 179.25 180.03 3gb1 h THR 25 N 0.52 1.38 -1.00 0.00 1.35 -1.91 -3.07 112.91 110.19 3gb1 h THR 25 Ca 0.48 -2.15 0.01 0.00 -0.55 0.00 0.00 66.41 64.21 3gb1 h THR 25 Cb 1.04 2.12 -0.05 0.00 -1.73 0.00 0.00 68.15 69.53 3gb1 h THR 25 CO -0.22 0.64 0.67 0.00 -0.25 0.00 0.00 175.52 176.36 3gb1 h ALA 26 N 0.96 1.27 -0.11 6.62 0.00 -0.47 -1.07 119.26 126.46 3gb1 h ALA 26 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3gb1 h ALA 26 Cb 1.30 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3gb1 h ALA 26 CO 0.12 0.66 -0.02 0.93 0.00 0.00 0.00 179.25 180.95 3gb1 h GLU 27 N 1.36 0.01 -0.61 0.00 5.08 -1.23 0.25 114.58 119.44 3gb1 h GLU 27 Ca 0.37 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 3gb1 h GLU 27 Cb -0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3gb1 h GLU 27 CO -0.08 0.01 0.15 0.87 -1.00 0.00 0.00 179.01 178.95 3gb1 h LYS 28 N 0.01 0.98 0.21 2.33 1.57 -1.45 -0.94 116.57 119.29 3gb1 h LYS 28 Ca 0.05 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3gb1 h LYS 28 Cb 0.08 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gb1 h LYS 28 CO -0.11 0.90 -0.10 0.28 -0.57 0.00 0.00 179.45 179.85 3gb1 h VAL 29 N 0.90 0.85 -0.67 0.50 2.07 -0.83 -2.70 116.25 116.36 3gb1 h VAL 29 Ca 0.19 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 3gb1 h VAL 29 Cb 0.36 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3gb1 h VAL 29 CO 0.00 0.17 0.16 -0.26 0.02 0.00 0.00 177.57 177.66 3gb1 h PHE 30 N -0.72 1.12 -0.87 1.57 0.04 -0.55 -1.46 116.94 116.07 3gb1 h PHE 30 Ca -0.03 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 3gb1 h PHE 30 Cb 0.49 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 3gb1 h PHE 30 CO 0.05 0.91 0.46 0.87 -0.60 0.00 0.00 178.31 180.00 3gb1 h LYS 31 N 1.02 1.22 -0.25 1.51 1.57 -1.22 0.19 116.57 120.61 3gb1 h LYS 31 Ca 0.21 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3gb1 h LYS 31 Cb 0.36 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gb1 h LYS 31 CO 0.00 0.91 -0.22 0.37 -0.57 0.00 0.00 179.45 179.94 3gb1 h GLN 32 N 1.22 0.60 -0.33 3.15 5.75 -1.22 -1.17 115.11 123.11 3gb1 h GLN 32 Ca 0.30 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3gb1 h GLN 32 Cb 0.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3gb1 h GLN 32 CO -0.05 0.89 0.21 -0.92 -2.65 0.00 0.00 178.83 176.31 3gb1 h TYR 33 N 0.31 0.42 -0.43 3.99 5.03 -0.89 0.14 116.97 125.56 3gb1 h TYR 33 Ca 0.04 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 3gb1 h TYR 33 Cb 0.77 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 3gb1 h TYR 33 CO 0.07 0.29 0.22 0.00 -1.32 0.00 0.00 178.16 177.42 3gb1 h ALA 34 N 1.10 0.55 -0.90 1.82 0.00 -0.57 -2.38 119.26 118.88 3gb1 h ALA 34 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gb1 h ALA 34 Cb -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3gb1 h ALA 34 CO -0.02 0.10 0.49 -0.91 0.00 0.00 0.00 179.25 178.91 3gb1 h ASN 35 N 0.55 1.13 0.22 0.00 2.35 -0.88 -0.60 115.58 118.35 3gb1 h ASN 35 Ca 0.15 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3gb1 h ASN 35 Cb 0.09 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 3gb1 h ASN 35 CO -0.02 0.90 -0.05 0.44 -1.65 0.00 0.00 177.43 177.05 3gb1 h ASP 36 N 1.26 0.00 -0.57 5.81 3.32 -0.54 -0.53 116.42 125.18 3gb1 h ASP 36 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3gb1 h ASP 36 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3gb1 h ASP 36 CO -0.05 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3gb1 n ASN 37 N -3.59 3.04 -1.83 6.45 3.02 -0.35 -4.91 115.26 117.09 3gb1 n ASN 37 Ca -0.02 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.39 3gb1 n ASN 37 Cb 0.16 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 3gb1 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gb1 n GLY 38 N 1.41 -0.15 3.45 7.41 0.00 -0.21 -4.99 105.19 112.10 3gb1 n GLY 38 Ca 0.19 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3gb1 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gb1 s VAL 39 N -2.83 3.88 0.00 1.61 1.01 -0.51 -5.02 120.40 118.54 3gb1 s VAL 39 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3gb1 s VAL 39 Cb -0.05 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3gb1 s VAL 39 CO 0.13 0.45 0.02 -0.62 0.00 0.00 0.00 175.10 175.08 3gb1 s ASP 40 N 0.82 0.10 0.00 3.32 -1.08 -1.26 -4.07 116.67 114.49 3gb1 s ASP 40 Ca -0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 3gb1 s ASP 40 Cb -0.14 0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.43 3gb1 s ASP 40 CO 0.02 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.12 3gb1 n GLY 41 N 2.14 -0.70 3.75 2.66 0.00 -1.26 -4.42 105.19 107.36 3gb1 n GLY 41 Ca -0.19 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3gb1 n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gb1 s GLU 42 N -0.69 4.26 -0.15 1.61 2.02 -0.83 -4.90 118.70 120.02 3gb1 s GLU 42 Ca 0.00 0.45 -0.08 0.00 0.02 0.00 0.00 54.97 55.36 3gb1 s GLU 42 Cb 0.00 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 3gb1 s GLU 42 CO 0.00 0.28 0.13 -1.58 0.02 0.00 0.00 175.26 174.11 3gb1 s TRP 43 N 0.22 3.51 0.03 1.61 0.52 -1.26 -2.53 118.94 121.04 3gb1 s TRP 43 Ca 0.25 0.44 0.01 0.00 0.02 0.00 0.00 56.10 56.82 3gb1 s TRP 43 Cb -0.16 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 3gb1 s TRP 43 CO 0.11 0.57 -0.04 0.95 0.02 0.00 0.00 176.95 178.55 3gb1 s THR 44 N -0.54 0.25 -0.02 2.01 -4.23 -0.65 -5.02 115.64 107.44 3gb1 s THR 44 Ca 0.12 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 3gb1 s THR 44 Cb -0.12 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.31 3gb1 s THR 44 CO 0.02 -0.48 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.05 3gb1 s TYR 45 N -1.53 0.97 -0.37 3.99 5.04 -1.26 -1.19 117.35 123.00 3gb1 s TYR 45 Ca -0.13 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.21 3gb1 s TYR 45 Cb -0.09 -0.68 0.07 0.00 0.35 0.00 0.00 41.96 41.61 3gb1 s TYR 45 CO -0.01 -0.09 0.15 0.34 -1.34 0.00 0.00 175.55 174.60 3gb1 s ASP 46 N 0.11 5.30 0.31 4.32 -1.08 -0.26 -4.96 116.67 120.41 3gb1 s ASP 46 Ca -0.02 -1.48 0.05 0.00 -0.52 0.00 0.00 52.55 50.58 3gb1 s ASP 46 Cb -0.08 -1.86 0.50 0.00 -1.46 0.00 0.00 42.92 40.03 3gb1 s ASP 46 CO 0.00 -0.42 1.77 -0.78 0.52 0.00 0.00 175.17 176.26 3gb1 h ASP 47 N 8.18 0.39 -0.86 -0.34 1.82 -1.96 0.53 116.42 124.19 3gb1 h ASP 47 Ca -0.20 -0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.28 3gb1 h ASP 47 Cb 1.07 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.93 3gb1 h ASP 47 CO 0.65 0.63 0.42 0.00 -1.61 0.00 0.00 179.24 179.33 3gb1 h ALA 48 N 1.40 1.11 -0.07 -0.78 0.00 -1.97 -2.79 119.26 116.16 3gb1 h ALA 48 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gb1 h ALA 48 Cb 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gb1 h ALA 48 CO 0.04 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.21 3gb1 n THR 49 N -4.31 0.07 -4.05 0.00 -2.24 -1.10 -4.96 114.28 97.70 3gb1 n THR 49 Ca 0.09 -0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 3gb1 n THR 49 Cb 0.14 1.36 -0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3gb1 n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gb1 n LYS 50 N 1.18 -4.26 -5.05 -0.78 5.02 0.18 -4.81 118.16 109.64 3gb1 n LYS 50 Ca 0.13 0.48 -0.28 0.00 -2.02 0.00 0.00 58.31 56.62 3gb1 n LYS 50 Cb 0.52 -5.23 -0.16 0.00 -0.02 0.00 0.00 35.03 30.14 3gb1 n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gb1 s THR 51 N -3.36 1.71 -0.12 -0.18 2.01 -0.90 -2.34 115.64 112.46 3gb1 s THR 51 Ca 0.63 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3gb1 s THR 51 Cb -0.33 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3gb1 s THR 51 CO 0.88 0.48 0.13 -0.36 -0.69 0.00 0.00 174.62 175.06 3gb1 s PHE 52 N -0.26 3.54 -0.06 4.92 0.40 0.26 -1.10 117.98 125.69 3gb1 s PHE 52 Ca 0.02 0.48 0.02 0.00 -0.60 0.00 0.00 56.93 56.85 3gb1 s PHE 52 Cb -0.11 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.50 3gb1 s PHE 52 CO 0.01 0.68 -0.10 0.99 0.70 0.00 0.00 175.22 177.50 3gb1 s THR 53 N -0.91 0.97 -0.11 0.64 2.01 -0.33 -1.35 115.64 116.56 3gb1 s THR 53 Ca 0.14 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.78 3gb1 s THR 53 Cb -0.12 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.50 3gb1 s THR 53 CO 0.03 0.32 -0.21 0.54 -0.69 0.00 0.00 174.62 174.61 3gb1 s VAL 54 N 0.64 1.90 -0.11 3.82 0.11 -1.16 -1.63 120.40 123.97 3gb1 s VAL 54 Ca -0.12 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.05 3gb1 s VAL 54 Cb -0.15 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 3gb1 s VAL 54 CO 0.03 0.52 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.20 3gb1 s THR 55 N 0.57 2.06 -2.07 5.04 2.01 -1.05 -2.99 115.64 119.22 3gb1 s THR 55 Ca -0.14 -1.00 0.31 0.00 0.31 0.00 0.00 61.69 61.17 3gb1 s THR 55 Cb -0.17 -1.79 0.86 0.00 0.01 0.00 0.00 72.50 71.41 3gb1 s THR 55 CO 0.04 0.56 2.17 -0.62 -0.69 0.00 0.00 174.62 176.08