#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 5.11 0.03 2.03 2.01 -1.26 -3.10 115.64 120.46 3gb1 s THR 2 Ca 0.00 0.88 0.06 0.00 0.31 0.00 0.00 61.69 62.94 3gb1 s THR 2 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3gb1 s THR 2 CO 0.00 0.45 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.94 3gb1 s TYR 3 N -0.19 2.71 0.01 4.92 1.51 -0.76 -4.91 117.35 120.64 3gb1 s TYR 3 Ca 0.24 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.20 3gb1 s TYR 3 Cb -0.16 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 3gb1 s TYR 3 CO 0.11 0.32 -0.18 0.21 -1.11 0.00 0.00 175.55 174.91 3gb1 s LYS 4 N -1.53 2.21 -0.13 -0.62 2.20 -0.95 -2.14 119.74 118.78 3gb1 s LYS 4 Ca 0.16 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 54.92 3gb1 s LYS 4 Cb -0.11 -2.23 0.01 0.00 -1.51 0.00 0.00 37.83 33.99 3gb1 s LYS 4 CO 0.07 0.57 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.24 3gb1 s LEU 5 N -1.12 2.11 -0.22 5.43 2.96 -0.15 -0.22 118.68 127.47 3gb1 s LEU 5 Ca 0.13 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3gb1 s LEU 5 Cb -0.10 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3gb1 s LEU 5 CO 0.03 0.11 0.04 -0.63 -1.32 0.00 0.00 176.35 174.58 3gb1 s ILE 6 N 0.66 4.28 -0.35 6.68 1.01 -0.80 -1.88 121.20 130.80 3gb1 s ILE 6 Ca -0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 3gb1 s ILE 6 Cb -0.16 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.35 3gb1 s ILE 6 CO 0.02 0.39 0.21 -0.76 0.00 0.00 0.00 174.94 174.80 3gb1 s LEU 7 N 1.14 4.56 -0.81 2.97 1.43 -0.25 -3.14 118.68 124.59 3gb1 s LEU 7 Ca 0.04 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 3gb1 s LEU 7 Cb -0.14 -2.06 0.28 0.00 0.03 0.00 0.00 46.19 44.29 3gb1 s LEU 7 CO 0.03 -0.31 1.08 0.59 0.23 0.00 0.00 176.35 177.97 3gb1 n ASN 8 N 5.04 4.95 -4.90 2.29 3.02 -1.18 -2.44 115.26 122.05 3gb1 n ASN 8 Ca -0.12 -3.47 -0.29 0.00 -0.03 0.00 0.00 54.58 50.66 3gb1 n ASN 8 Cb 0.48 -0.90 0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 -2.27 1.61 0.24 7.41 0.00 0.24 -3.51 107.32 111.02 3gb1 s GLY 9 Ca 0.37 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 3gb1 s GLY 9 CO 0.02 -0.12 1.71 0.50 0.00 0.00 0.00 173.10 175.21 3gb1 h LYS 10 N -0.90 0.84 0.00 2.90 1.57 -1.97 -3.34 116.57 115.67 3gb1 h LYS 10 Ca -0.46 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3gb1 h LYS 10 Cb 1.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3gb1 h LYS 10 CO 0.65 0.87 -0.87 0.25 -0.57 0.00 0.00 179.45 179.78 3gb1 n THR 11 N -4.19 0.00 -3.58 -0.16 -2.24 -1.26 -4.99 114.28 97.86 3gb1 n THR 11 Ca 0.02 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 3gb1 n THR 11 Cb 0.34 0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.65 4.04 -0.04 3.22 2.96 -1.25 -5.06 118.68 119.89 3gb1 s LEU 12 Ca 0.00 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3gb1 s LEU 12 Cb 0.00 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3gb1 s LEU 12 CO 0.00 -0.04 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.42 3gb1 s LYS 13 N 1.66 0.63 0.00 1.98 1.02 -1.26 0.80 119.74 124.58 3gb1 s LYS 13 Ca 0.08 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3gb1 s LYS 13 Cb -0.16 -0.74 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 3gb1 s LYS 13 CO 0.10 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 3gb1 n GLY 14 N 4.21 -1.29 3.09 -3.33 0.00 -1.02 -5.02 105.19 101.83 3gb1 n GLY 14 Ca -0.23 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 3gb1 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gb1 s GLU 15 N -1.13 0.51 0.22 1.61 2.02 -1.26 -1.08 118.70 119.58 3gb1 s GLU 15 Ca 0.00 -0.63 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 3gb1 s GLU 15 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.44 3gb1 s GLU 15 CO 0.00 -0.12 0.48 -0.08 0.02 0.00 0.00 175.26 175.56 3gb1 s THR 16 N -2.05 0.02 0.07 3.63 -1.32 -0.79 -5.01 115.64 110.19 3gb1 s THR 16 Ca -0.10 -1.23 -0.00 0.00 -1.21 0.00 0.00 61.69 59.15 3gb1 s THR 16 Cb -0.05 -1.99 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 3gb1 s THR 16 CO -0.02 -0.07 -0.03 0.42 -2.21 0.00 0.00 174.62 172.70 3gb1 s THR 17 N -3.97 0.36 0.18 5.08 -4.23 -1.26 -0.98 115.64 110.82 3gb1 s THR 17 Ca 0.18 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 3gb1 s THR 17 Cb -0.01 -1.62 0.04 0.00 1.34 0.00 0.00 72.50 72.25 3gb1 s THR 17 CO 0.05 -0.91 0.55 0.28 -0.54 0.00 0.00 174.62 174.05 3gb1 s THR 18 N -3.84 0.02 -0.11 3.99 -1.32 -0.91 -5.00 115.64 108.47 3gb1 s THR 18 Ca 0.10 -0.49 -0.03 0.00 -1.21 0.00 0.00 61.69 60.06 3gb1 s THR 18 Cb 0.07 -1.35 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 3gb1 s THR 18 CO -0.07 -0.09 0.01 -1.61 -2.21 0.00 0.00 174.62 170.65 3gb1 s GLU 19 N -3.82 3.28 -0.06 7.08 8.01 -1.26 -1.82 118.70 130.10 3gb1 s GLU 19 Ca 0.05 -0.40 -0.11 0.00 0.01 0.00 0.00 54.97 54.52 3gb1 s GLU 19 Cb -0.01 -2.90 0.02 0.00 -4.31 0.00 0.00 34.13 26.93 3gb1 s GLU 19 CO -0.07 0.57 0.27 0.00 0.01 0.00 0.00 175.26 176.04 3gb1 s ALA 20 N -0.49 -0.68 0.50 5.21 0.00 -1.18 -5.00 121.76 120.12 3gb1 s ALA 20 Ca 0.09 0.51 0.14 0.00 0.00 0.00 0.00 51.96 52.71 3gb1 s ALA 20 Cb -0.12 -0.21 1.19 0.00 0.00 0.00 0.00 23.12 23.99 3gb1 s ALA 20 CO 0.02 -0.19 2.13 -0.39 0.00 0.00 0.00 175.76 177.34 3gb1 h VAL 21 N 4.35 1.02 -3.21 0.00 -1.51 -1.98 -3.44 116.25 111.49 3gb1 h VAL 21 Ca -0.28 -0.04 -0.05 0.00 -1.23 0.00 0.00 66.70 65.10 3gb1 h VAL 21 Cb 1.19 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 3gb1 h VAL 21 CO 0.36 0.02 0.18 1.51 -1.23 0.00 0.00 177.57 178.41 3gb1 s ASP 22 N -7.00 0.10 0.22 4.19 -4.77 -1.26 -5.00 116.67 103.15 3gb1 s ASP 22 Ca -0.06 -1.11 -0.05 0.00 -3.30 0.00 0.00 52.55 48.04 3gb1 s ASP 22 Cb 0.17 0.79 0.20 0.00 -1.09 0.00 0.00 42.92 43.00 3gb1 s ASP 22 CO 0.68 -1.55 1.68 0.00 0.70 0.00 0.00 175.17 176.68 3gb1 h ALA 23 N 2.03 0.95 -0.86 2.11 0.00 -1.98 -2.62 119.26 118.88 3gb1 h ALA 23 Ca -0.29 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.47 3gb1 h ALA 23 Cb 1.25 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3gb1 h ALA 23 CO 0.37 0.62 0.56 0.00 0.00 0.00 0.00 179.25 180.81 3gb1 h ALA 24 N 1.12 2.00 -0.37 0.00 0.00 -1.99 0.28 119.26 120.29 3gb1 h ALA 24 Ca 0.14 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3gb1 h ALA 24 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3gb1 h ALA 24 CO 0.03 -0.25 -0.41 1.15 0.00 0.00 0.00 179.25 179.78 3gb1 h THR 25 N 0.55 1.27 -1.01 0.00 2.02 -1.87 -3.03 112.91 110.84 3gb1 h THR 25 Ca 0.44 -1.58 0.01 0.00 0.77 0.00 0.00 66.41 66.05 3gb1 h THR 25 Cb 0.88 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.65 3gb1 h THR 25 CO -0.18 0.53 0.67 0.00 0.37 0.00 0.00 175.52 176.90 3gb1 h ALA 26 N 0.76 1.28 -0.56 6.16 0.00 -0.87 -0.60 119.26 125.42 3gb1 h ALA 26 Ca 0.06 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3gb1 h ALA 26 Cb 1.00 -0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3gb1 h ALA 26 CO 0.10 0.67 0.27 0.93 0.00 0.00 0.00 179.25 181.21 3gb1 h GLU 27 N 1.37 0.49 -0.30 0.00 5.08 -1.20 0.23 114.58 120.25 3gb1 h GLU 27 Ca 0.37 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3gb1 h GLU 27 Cb -0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3gb1 h GLU 27 CO -0.08 0.32 -0.10 0.87 -1.00 0.00 0.00 179.01 179.02 3gb1 h LYS 28 N 0.51 0.59 0.16 2.33 1.57 -1.31 -1.95 116.57 118.46 3gb1 h LYS 28 Ca 0.26 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3gb1 h LYS 28 Cb 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gb1 h LYS 28 CO -0.20 0.80 -0.07 0.28 -0.57 0.00 0.00 179.45 179.68 3gb1 h VAL 29 N 0.35 0.97 -0.57 0.50 2.07 -0.63 -2.86 116.25 116.08 3gb1 h VAL 29 Ca 0.07 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3gb1 h VAL 29 Cb 0.60 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3gb1 h VAL 29 CO 0.04 0.21 0.13 -0.26 0.02 0.00 0.00 177.57 177.71 3gb1 h PHE 30 N -0.70 0.92 -0.78 1.57 0.04 -0.66 -1.79 116.94 115.54 3gb1 h PHE 30 Ca -0.02 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.67 3gb1 h PHE 30 Cb 0.50 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3gb1 h PHE 30 CO 0.07 0.77 0.51 -0.22 -0.60 0.00 0.00 178.31 178.84 3gb1 h LYS 31 N 0.85 1.02 -0.45 1.51 3.64 -1.40 0.57 116.57 122.31 3gb1 h LYS 31 Ca 0.18 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 3gb1 h LYS 31 Cb 0.32 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3gb1 h LYS 31 CO -0.00 0.67 -0.26 0.37 -2.27 0.00 0.00 179.45 177.96 3gb1 h GLN 32 N 1.05 0.98 -0.32 1.90 4.15 -1.24 -1.44 115.11 120.18 3gb1 h GLN 32 Ca 0.29 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3gb1 h GLN 32 Cb -0.12 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3gb1 h GLN 32 CO -0.06 1.12 0.21 -0.92 -1.93 0.00 0.00 178.83 177.25 3gb1 h TYR 33 N 0.82 0.40 -0.38 3.99 5.03 -0.69 0.15 116.97 126.30 3gb1 h TYR 33 Ca 0.10 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3gb1 h TYR 33 Cb 0.85 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 3gb1 h TYR 33 CO 0.06 0.25 0.21 0.00 -1.32 0.00 0.00 178.16 177.36 3gb1 h ALA 34 N 1.12 0.49 -0.41 1.82 0.00 -0.79 -2.22 119.26 119.27 3gb1 h ALA 34 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gb1 h ALA 34 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gb1 h ALA 34 CO -0.03 0.01 0.27 -0.97 0.00 0.00 0.00 179.25 178.53 3gb1 h ASN 35 N 0.49 0.47 0.02 0.00 -0.73 -0.77 0.26 115.58 115.32 3gb1 h ASN 35 Ca 0.14 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 3gb1 h ASN 35 Cb 0.04 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.52 3gb1 h ASN 35 CO -0.02 0.34 -0.01 0.44 -0.37 0.00 0.00 177.43 177.81 3gb1 h ASP 36 N 0.56 0.00 -0.70 1.15 3.32 -0.43 0.61 116.42 120.92 3gb1 h ASP 36 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3gb1 h ASP 36 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3gb1 h ASP 36 CO -0.03 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.09 3gb1 n ASN 37 N -3.82 3.89 -2.46 6.45 3.02 -0.43 -4.94 115.26 116.97 3gb1 n ASN 37 Ca -0.03 -2.00 -0.18 0.00 -0.03 0.00 0.00 54.58 52.34 3gb1 n ASN 37 Cb 0.09 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 38.82 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 1.66 -0.28 3.48 7.41 0.00 0.20 -4.99 105.19 112.66 3gb1 n GLY 38 Ca 0.24 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.05 3.91 0.01 1.61 1.01 0.77 -4.99 120.40 119.67 3gb1 s VAL 39 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3gb1 s VAL 39 Cb -0.11 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3gb1 s VAL 39 CO 0.30 0.47 -0.01 -1.81 0.00 0.00 0.00 175.10 174.05 3gb1 s ASP 40 N 0.61 0.18 0.00 3.32 1.01 -1.26 -4.08 116.67 116.45 3gb1 s ASP 40 Ca -0.02 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.85 3gb1 s ASP 40 Cb -0.14 0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.88 3gb1 s ASP 40 CO 0.02 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.76 3gb1 n GLY 41 N 1.83 -0.55 3.73 0.21 0.00 -1.26 -4.41 105.19 104.75 3gb1 n GLY 41 Ca -0.22 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.56 4.45 -0.12 1.61 0.41 -0.97 -4.87 118.70 118.65 3gb1 s GLU 42 Ca 0.00 0.95 -0.06 0.00 -0.41 0.00 0.00 54.97 55.45 3gb1 s GLU 42 Cb 0.00 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.90 3gb1 s GLU 42 CO 0.00 0.17 0.10 -1.58 -0.49 0.00 0.00 175.26 173.46 3gb1 s TRP 43 N 0.41 3.47 0.04 1.61 0.52 -1.26 -2.75 118.94 120.97 3gb1 s TRP 43 Ca 0.38 0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.93 3gb1 s TRP 43 Cb -0.19 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 3gb1 s TRP 43 CO 0.20 0.61 -0.07 0.95 0.02 0.00 0.00 176.95 178.66 3gb1 s THR 44 N -0.81 0.49 -0.01 2.01 -4.23 -0.82 -5.02 115.64 107.26 3gb1 s THR 44 Ca 0.13 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3gb1 s THR 44 Cb -0.12 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.15 3gb1 s THR 44 CO 0.03 -0.40 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.17 3gb1 s TYR 45 N -1.40 0.70 -0.29 3.99 5.04 -1.26 -1.79 117.35 122.33 3gb1 s TYR 45 Ca -0.11 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.37 3gb1 s TYR 45 Cb -0.10 -0.49 0.05 0.00 0.35 0.00 0.00 41.96 41.77 3gb1 s TYR 45 CO 0.00 -0.05 -0.02 0.34 -1.34 0.00 0.00 175.55 174.48 3gb1 s ASP 46 N 0.06 4.80 0.38 4.32 -1.08 -0.89 -4.97 116.67 119.28 3gb1 s ASP 46 Ca -0.00 -1.30 0.14 0.00 -0.52 0.00 0.00 52.55 50.87 3gb1 s ASP 46 Cb -0.06 -1.68 0.77 0.00 -1.46 0.00 0.00 42.92 40.49 3gb1 s ASP 46 CO -0.00 -0.24 1.83 -0.78 0.52 0.00 0.00 175.17 176.50 3gb1 h ASP 47 N 7.95 0.00 -0.73 -0.34 1.82 -1.96 0.77 116.42 123.94 3gb1 h ASP 47 Ca -0.21 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.37 3gb1 h ASP 47 Cb 1.06 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 3gb1 h ASP 47 CO 0.52 0.36 0.19 0.00 -1.61 0.00 0.00 179.24 178.70 3gb1 h ALA 48 N 1.64 0.96 -0.02 -0.78 0.00 -1.98 -3.13 119.26 115.95 3gb1 h ALA 48 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gb1 h ALA 48 Cb 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gb1 h ALA 48 CO 0.05 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.22 3gb1 n THR 49 N -4.24 0.01 -4.03 0.00 -2.24 -1.12 -4.97 114.28 97.70 3gb1 n THR 49 Ca 0.06 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 3gb1 n THR 49 Cb 0.25 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.73 -4.29 -5.13 -0.78 5.02 0.27 -4.74 118.16 109.24 3gb1 n LYS 50 Ca 0.08 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.53 3gb1 n LYS 50 Cb 0.33 -5.19 -0.16 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.41 2.26 -0.11 -0.18 2.01 -1.07 -2.23 115.64 112.92 3gb1 s THR 51 Ca 0.56 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 3gb1 s THR 51 Cb -0.29 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3gb1 s THR 51 CO 0.87 0.55 0.18 -0.36 -0.69 0.00 0.00 174.62 175.17 3gb1 s PHE 52 N 0.34 3.61 -0.04 4.92 0.40 0.70 -2.10 117.98 125.80 3gb1 s PHE 52 Ca -0.17 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 3gb1 s PHE 52 Cb -0.18 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.37 3gb1 s PHE 52 CO 0.08 0.71 -0.09 0.99 0.70 0.00 0.00 175.22 177.61 3gb1 s THR 53 N -0.97 0.80 -0.09 0.64 2.01 -0.74 -1.91 115.64 115.39 3gb1 s THR 53 Ca 0.16 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.87 3gb1 s THR 53 Cb -0.13 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3gb1 s THR 53 CO 0.05 0.27 -0.21 0.54 -0.69 0.00 0.00 174.62 174.57 3gb1 s VAL 54 N 0.49 1.84 -0.13 3.82 0.11 -1.19 -1.94 120.40 123.41 3gb1 s VAL 54 Ca -0.08 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.10 3gb1 s VAL 54 Cb -0.12 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 3gb1 s VAL 54 CO 0.01 0.51 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.19 3gb1 s THR 55 N 0.40 2.16 -2.13 5.04 2.01 -1.11 -3.10 115.64 118.92 3gb1 s THR 55 Ca -0.18 -0.96 0.31 0.00 0.31 0.00 0.00 61.69 61.18 3gb1 s THR 55 Cb -0.17 -1.86 0.82 0.00 0.01 0.00 0.00 72.50 71.30 3gb1 s THR 55 CO 0.08 0.55 2.11 -0.62 -0.69 0.00 0.00 174.62 176.04