#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 5.07 0.07 2.03 2.01 -1.26 -3.02 115.64 120.54 3gb1 s THR 2 Ca 0.00 0.90 0.10 0.00 0.31 0.00 0.00 61.69 62.99 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 0.48 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.85 3gb1 s TYR 3 N -0.40 2.36 0.04 4.92 2.02 -1.03 -4.93 117.35 120.33 3gb1 s TYR 3 Ca 0.24 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 3gb1 s TYR 3 Cb -0.16 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3gb1 s TYR 3 CO 0.12 0.22 -0.20 0.21 -1.57 0.00 0.00 175.55 174.33 3gb1 s LYS 4 N -1.55 2.03 -0.11 -0.62 2.20 -1.05 -2.39 119.74 118.25 3gb1 s LYS 4 Ca 0.13 -1.00 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 3gb1 s LYS 4 Cb -0.10 -2.15 -0.00 0.00 -1.51 0.00 0.00 37.83 34.07 3gb1 s LYS 4 CO 0.04 0.54 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.18 3gb1 s LEU 5 N -1.38 2.20 -0.24 5.43 2.96 -0.18 -0.07 118.68 127.41 3gb1 s LEU 5 Ca 0.14 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3gb1 s LEU 5 Cb -0.10 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3gb1 s LEU 5 CO 0.04 0.16 0.07 -0.63 -1.32 0.00 0.00 176.35 174.67 3gb1 s ILE 6 N 0.36 4.44 -0.30 6.68 1.01 -0.54 -1.90 121.20 130.95 3gb1 s ILE 6 Ca -0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3gb1 s ILE 6 Cb -0.18 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3gb1 s ILE 6 CO 0.08 0.36 0.18 -0.76 0.00 0.00 0.00 174.94 174.80 3gb1 s LEU 7 N 1.35 4.13 -0.56 2.97 1.43 0.12 -2.64 118.68 125.48 3gb1 s LEU 7 Ca 0.05 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3gb1 s LEU 7 Cb -0.15 -2.07 0.28 0.00 0.03 0.00 0.00 46.19 44.28 3gb1 s LEU 7 CO 0.04 -0.14 0.77 -3.20 0.23 0.00 0.00 176.35 174.05 3gb1 n ASN 8 N 5.04 3.20 -4.30 2.29 5.15 -1.04 -2.03 115.26 123.57 3gb1 n ASN 8 Ca -0.14 -3.37 -0.30 0.00 -0.60 0.00 0.00 54.58 50.18 3gb1 n ASN 8 Cb 0.51 -0.63 0.17 0.00 -0.53 0.00 0.00 39.78 39.29 3gb1 n ASN 8 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3gb1 s GLY 9 N -2.56 1.74 0.19 8.20 0.00 0.13 -3.19 107.32 111.83 3gb1 s GLY 9 Ca 0.42 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.95 3gb1 s GLY 9 CO -0.07 -0.39 1.65 0.50 0.00 0.00 0.00 173.10 174.80 3gb1 h LYS 10 N -1.50 1.06 0.00 2.90 1.57 -1.98 -3.35 116.57 115.26 3gb1 h LYS 10 Ca -0.45 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 3gb1 h LYS 10 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3gb1 h LYS 10 CO 0.44 1.03 -0.65 -2.37 -0.57 0.00 0.00 179.45 177.32 3gb1 n THR 11 N -4.18 0.00 -3.60 -0.16 5.66 -1.26 -5.00 114.28 105.74 3gb1 n THR 11 Ca 0.03 -0.12 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 3gb1 n THR 11 Cb 0.34 0.59 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 3gb1 n THR 11 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3gb1 s LEU 12 N -2.42 4.06 -0.05 1.09 2.96 -1.26 -5.07 118.68 117.99 3gb1 s LEU 12 Ca 0.00 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3gb1 s LEU 12 Cb 0.00 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3gb1 s LEU 12 CO 0.00 -0.02 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.45 3gb1 s LYS 13 N 1.52 0.70 0.00 1.98 1.02 -1.26 0.20 119.74 123.89 3gb1 s LYS 13 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.04 3gb1 s LYS 13 Cb -0.15 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.35 3gb1 s LYS 13 CO 0.09 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 3gb1 n GLY 14 N 4.30 -1.30 3.23 -3.33 0.00 -0.86 -5.00 105.19 102.23 3gb1 n GLY 14 Ca -0.21 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.94 0.83 0.26 1.61 -1.05 -1.26 0.14 118.70 118.29 3gb1 s GLU 15 Ca 0.00 -0.68 -0.15 0.00 -0.15 0.00 0.00 54.97 53.99 3gb1 s GLU 15 Cb 0.00 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 3gb1 s GLU 15 CO 0.00 -0.27 0.54 -0.08 0.95 0.00 0.00 175.26 176.40 3gb1 s THR 16 N -3.07 0.00 0.08 1.83 -1.32 -0.80 -4.99 115.64 107.37 3gb1 s THR 16 Ca -0.01 -1.30 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 3gb1 s THR 16 Cb 0.01 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 3gb1 s THR 16 CO -0.07 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.71 3gb1 s THR 17 N -3.99 0.51 0.18 5.08 -4.23 -1.26 -1.01 115.64 110.92 3gb1 s THR 17 Ca 0.19 -1.82 -0.20 0.00 -1.18 0.00 0.00 61.69 58.68 3gb1 s THR 17 Cb -0.02 -1.54 0.04 0.00 1.34 0.00 0.00 72.50 72.33 3gb1 s THR 17 CO 0.09 -0.88 0.56 0.28 -0.54 0.00 0.00 174.62 174.12 3gb1 s THR 18 N -3.56 0.02 -0.16 3.99 -1.32 -1.01 -5.02 115.64 108.59 3gb1 s THR 18 Ca 0.08 -0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 60.02 3gb1 s THR 18 Cb 0.05 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 3gb1 s THR 18 CO -0.06 -0.09 0.11 -0.70 -2.21 0.00 0.00 174.62 171.67 3gb1 s GLU 19 N -3.82 3.83 -0.07 7.08 2.56 -1.26 -2.48 118.70 124.54 3gb1 s GLU 19 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 54.97 54.70 3gb1 s GLU 19 Cb -0.01 -3.26 0.02 0.00 2.00 0.00 0.00 34.13 32.88 3gb1 s GLU 19 CO -0.07 0.47 0.24 0.00 -0.56 0.00 0.00 175.26 175.34 3gb1 s ALA 20 N -0.16 -0.59 0.49 6.30 0.00 -1.17 -5.01 121.76 121.62 3gb1 s ALA 20 Ca 0.10 0.56 0.13 0.00 0.00 0.00 0.00 51.96 52.75 3gb1 s ALA 20 Cb -0.12 -0.30 1.15 0.00 0.00 0.00 0.00 23.12 23.85 3gb1 s ALA 20 CO 0.01 -0.14 2.12 -0.39 0.00 0.00 0.00 175.76 177.36 3gb1 h VAL 21 N 4.61 1.03 -3.22 0.00 -1.51 -1.98 -3.45 116.25 111.74 3gb1 h VAL 21 Ca -0.27 -0.06 -0.07 0.00 -1.23 0.00 0.00 66.70 65.07 3gb1 h VAL 21 Cb 1.19 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 3gb1 h VAL 21 CO 0.36 0.03 0.19 1.51 -1.23 0.00 0.00 177.57 178.43 3gb1 s ASP 22 N -6.95 0.21 0.22 4.19 -4.77 -1.26 -5.02 116.67 103.28 3gb1 s ASP 22 Ca -0.06 -1.24 -0.05 0.00 -3.30 0.00 0.00 52.55 47.90 3gb1 s ASP 22 Cb 0.17 0.82 0.20 0.00 -1.09 0.00 0.00 42.92 43.02 3gb1 s ASP 22 CO 0.69 -1.63 1.69 0.00 0.70 0.00 0.00 175.17 176.61 3gb1 h ALA 23 N 2.02 0.95 -0.82 2.11 0.00 -1.97 -2.68 119.26 118.86 3gb1 h ALA 23 Ca -0.32 -0.31 0.15 0.00 0.00 0.00 0.00 54.91 54.44 3gb1 h ALA 23 Cb 1.25 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3gb1 h ALA 23 CO 0.41 0.63 0.54 0.00 0.00 0.00 0.00 179.25 180.82 3gb1 h ALA 24 N 1.12 2.02 -0.38 0.00 0.00 -1.99 -0.24 119.26 119.79 3gb1 h ALA 24 Ca 0.15 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3gb1 h ALA 24 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gb1 h ALA 24 CO 0.03 -0.25 -0.40 1.15 0.00 0.00 0.00 179.25 179.79 3gb1 h THR 25 N 0.52 1.27 -0.98 0.00 2.02 -1.88 -2.97 112.91 110.88 3gb1 h THR 25 Ca 0.41 -1.58 0.03 0.00 0.77 0.00 0.00 66.41 66.04 3gb1 h THR 25 Cb 0.83 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 3gb1 h THR 25 CO -0.16 0.53 0.64 0.00 0.37 0.00 0.00 175.52 176.90 3gb1 h ALA 26 N 0.76 1.36 -0.60 6.16 0.00 -1.00 -0.17 119.26 125.76 3gb1 h ALA 26 Ca 0.06 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3gb1 h ALA 26 Cb 1.00 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3gb1 h ALA 26 CO 0.10 0.55 0.23 0.93 0.00 0.00 0.00 179.25 181.06 3gb1 h GLU 27 N 1.25 0.40 -0.19 0.00 5.08 -1.23 0.40 114.58 120.29 3gb1 h GLU 27 Ca 0.38 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3gb1 h GLU 27 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3gb1 h GLU 27 CO -0.11 0.27 -0.08 0.87 -1.00 0.00 0.00 179.01 178.95 3gb1 h LYS 28 N 0.41 0.40 0.16 2.33 1.57 -1.19 -0.87 116.57 119.38 3gb1 h LYS 28 Ca 0.30 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3gb1 h LYS 28 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3gb1 h LYS 28 CO -0.30 0.68 -0.07 0.28 -0.57 0.00 0.00 179.45 179.47 3gb1 h VAL 29 N 0.10 0.98 -0.53 0.50 2.07 -0.47 -2.40 116.25 116.49 3gb1 h VAL 29 Ca 0.05 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 3gb1 h VAL 29 Cb 0.55 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3gb1 h VAL 29 CO 0.03 0.20 -0.14 -0.26 0.02 0.00 0.00 177.57 177.42 3gb1 h PHE 30 N -0.67 1.16 -0.67 1.57 0.04 -0.33 -0.81 116.94 117.23 3gb1 h PHE 30 Ca -0.02 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.49 3gb1 h PHE 30 Cb 0.49 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3gb1 h PHE 30 CO 0.06 1.08 0.41 -0.22 -0.60 0.00 0.00 178.31 179.05 3gb1 h LYS 31 N 0.91 0.90 -0.33 1.51 3.64 -1.22 0.34 116.57 122.33 3gb1 h LYS 31 Ca 0.13 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3gb1 h LYS 31 Cb 0.71 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3gb1 h LYS 31 CO 0.05 0.63 -0.02 0.37 -2.27 0.00 0.00 179.45 178.22 3gb1 h GLN 32 N 0.91 0.59 -0.35 1.90 4.15 -1.27 0.15 115.11 121.19 3gb1 h GLN 32 Ca 0.24 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3gb1 h GLN 32 Cb -0.05 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3gb1 h GLN 32 CO -0.05 0.73 0.23 -0.92 -1.93 0.00 0.00 178.83 176.90 3gb1 h TYR 33 N 0.39 0.45 -0.35 3.99 3.20 -0.69 0.21 116.97 124.16 3gb1 h TYR 33 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3gb1 h TYR 33 Cb 0.48 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3gb1 h TYR 33 CO 0.04 0.29 0.15 0.00 -1.64 0.00 0.00 178.16 177.00 3gb1 h ALA 34 N 1.12 0.45 -0.61 1.82 0.00 -0.16 -1.21 119.26 120.68 3gb1 h ALA 34 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gb1 h ALA 34 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3gb1 h ALA 34 CO -0.03 0.04 0.40 -0.97 0.00 0.00 0.00 179.25 178.69 3gb1 h ASN 35 N 0.42 0.70 0.50 0.00 -0.73 -0.28 0.13 115.58 116.32 3gb1 h ASN 35 Ca 0.12 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 3gb1 h ASN 35 Cb 0.16 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 3gb1 h ASN 35 CO -0.01 0.51 -0.01 0.44 -0.37 0.00 0.00 177.43 177.99 3gb1 h ASP 36 N 0.83 0.00 -0.45 1.15 3.32 -0.27 -0.93 116.42 120.07 3gb1 h ASP 36 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gb1 h ASP 36 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3gb1 h ASP 36 CO -0.05 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.07 3gb1 n ASN 37 N -3.12 3.25 -1.36 6.45 5.03 0.27 -4.94 115.26 120.83 3gb1 n ASN 37 Ca -0.01 -1.96 -0.10 0.00 0.87 0.00 0.00 54.58 53.37 3gb1 n ASN 37 Cb 0.19 -0.29 0.01 0.00 -1.02 0.00 0.00 39.78 38.66 3gb1 n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gb1 n GLY 38 N 1.47 0.03 3.40 7.41 0.00 -0.35 -5.02 105.19 112.14 3gb1 n GLY 38 Ca 0.20 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.67 3.62 -0.29 1.61 1.01 -0.06 -5.01 120.40 118.62 3gb1 s VAL 39 Ca 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3gb1 s VAL 39 Cb -0.03 -2.62 0.15 0.00 0.00 0.00 0.00 36.38 33.88 3gb1 s VAL 39 CO 0.09 0.45 0.38 -1.81 0.00 0.00 0.00 175.10 174.21 3gb1 s ASP 40 N 0.93 0.77 0.00 3.32 1.01 -1.26 -4.05 116.67 117.39 3gb1 s ASP 40 Ca -0.00 -0.52 0.00 0.00 0.71 0.00 0.00 52.55 52.74 3gb1 s ASP 40 Cb -0.15 0.92 0.00 0.00 1.01 0.00 0.00 42.92 44.71 3gb1 s ASP 40 CO 0.01 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.64 3gb1 n GLY 41 N 5.32 3.86 3.68 0.21 0.00 -1.26 -4.91 105.19 112.09 3gb1 n GLY 41 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 4.22 4.21 -0.13 1.61 2.02 -0.70 -4.92 118.70 125.02 3gb1 s GLU 42 Ca 0.00 0.35 -0.06 0.00 0.02 0.00 0.00 54.97 55.29 3gb1 s GLU 42 Cb 0.00 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 3gb1 s GLU 42 CO 0.00 -0.06 0.08 -1.58 0.02 0.00 0.00 175.26 173.72 3gb1 s TRP 43 N 1.34 3.37 0.04 1.61 0.52 -1.26 -1.95 118.94 122.61 3gb1 s TRP 43 Ca 0.23 0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.68 3gb1 s TRP 43 Cb -0.15 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3gb1 s TRP 43 CO 0.09 0.49 -0.08 0.95 0.02 0.00 0.00 176.95 178.43 3gb1 s THR 44 N -0.58 0.53 -0.01 2.01 -4.23 -0.06 -5.00 115.64 108.30 3gb1 s THR 44 Ca 0.11 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 3gb1 s THR 44 Cb -0.12 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.12 3gb1 s THR 44 CO 0.02 -0.39 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.21 3gb1 s TYR 45 N -1.39 0.35 -0.32 3.99 5.04 -1.26 -0.76 117.35 123.00 3gb1 s TYR 45 Ca -0.10 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.43 3gb1 s TYR 45 Cb -0.10 -0.27 0.04 0.00 0.35 0.00 0.00 41.96 41.99 3gb1 s TYR 45 CO 0.00 -0.03 0.04 0.34 -1.34 0.00 0.00 175.55 174.56 3gb1 s ASP 46 N 0.14 5.06 0.39 4.32 -1.08 -0.76 -4.97 116.67 119.77 3gb1 s ASP 46 Ca -0.01 -1.21 0.11 0.00 -0.52 0.00 0.00 52.55 50.92 3gb1 s ASP 46 Cb -0.04 -1.78 0.78 0.00 -1.46 0.00 0.00 42.92 40.42 3gb1 s ASP 46 CO -0.00 -0.28 1.88 -0.78 0.52 0.00 0.00 175.17 176.50 3gb1 h ASP 47 N 8.09 0.10 -0.64 -0.34 1.82 -1.96 0.34 116.42 123.83 3gb1 h ASP 47 Ca -0.22 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.32 3gb1 h ASP 47 Cb 1.07 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 3gb1 h ASP 47 CO 0.56 0.36 0.14 0.00 -1.61 0.00 0.00 179.24 178.69 3gb1 h ALA 48 N 1.65 1.01 -0.02 -0.78 0.00 -1.98 -3.05 119.26 116.09 3gb1 h ALA 48 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gb1 h ALA 48 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gb1 h ALA 48 CO 0.04 0.64 -0.01 0.25 0.00 0.00 0.00 179.25 180.17 3gb1 n THR 49 N -4.23 0.00 -4.07 0.00 -2.24 -1.06 -4.96 114.28 97.72 3gb1 n THR 49 Ca 0.05 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 3gb1 n THR 49 Cb 0.26 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.03 -4.37 -5.23 -0.78 5.02 0.12 -4.80 118.16 109.14 3gb1 n LYS 50 Ca 0.11 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.57 3gb1 n LYS 50 Cb 0.47 -5.30 -0.17 0.00 -0.02 0.00 0.00 35.03 30.01 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 -3.30 2.06 -0.12 -0.18 2.01 -1.10 -2.53 115.64 112.49 3gb1 s THR 51 Ca 0.70 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 3gb1 s THR 51 Cb -0.37 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3gb1 s THR 51 CO 0.88 0.56 0.13 -0.36 -0.69 0.00 0.00 174.62 175.15 3gb1 s PHE 52 N 0.19 3.58 -0.04 4.92 0.40 0.90 -1.82 117.98 126.11 3gb1 s PHE 52 Ca -0.15 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.72 3gb1 s PHE 52 Cb -0.17 -1.93 0.01 0.00 0.51 0.00 0.00 43.02 41.44 3gb1 s PHE 52 CO 0.07 0.73 -0.10 0.99 0.70 0.00 0.00 175.22 177.61 3gb1 s THR 53 N -1.02 0.92 -0.08 0.64 2.01 0.06 -1.47 115.64 116.69 3gb1 s THR 53 Ca 0.15 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.79 3gb1 s THR 53 Cb -0.12 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.56 3gb1 s THR 53 CO 0.04 0.30 -0.18 0.54 -0.69 0.00 0.00 174.62 174.63 3gb1 s VAL 54 N 0.47 1.55 -0.07 3.82 0.11 -1.08 -0.88 120.40 124.32 3gb1 s VAL 54 Ca -0.09 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 3gb1 s VAL 54 Cb -0.12 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3gb1 s VAL 54 CO 0.02 0.45 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.21 3gb1 s THR 55 N 0.51 1.20 -2.37 5.04 2.01 -0.82 -2.51 115.64 118.70 3gb1 s THR 55 Ca -0.16 -0.52 0.29 0.00 0.31 0.00 0.00 61.69 61.61 3gb1 s THR 55 Cb -0.17 -1.10 0.65 0.00 0.01 0.00 0.00 72.50 71.89 3gb1 s THR 55 CO 0.06 0.37 1.87 -0.62 -0.69 0.00 0.00 174.62 175.62