#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fcl s THR 2 N 0.00 0.58 0.71 4.28 2.01 -1.26 -4.89 115.64 117.07 1fcl s THR 2 Ca 0.00 -0.18 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1fcl s THR 2 Cb 0.00 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1fcl s THR 2 CO 0.00 0.22 1.11 -0.36 -0.69 0.00 0.00 174.62 174.91 1fcl s PHE 3 N 0.69 2.51 0.04 4.92 0.08 -0.74 -4.85 117.98 120.63 1fcl s PHE 3 Ca -0.10 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.53 1fcl s PHE 3 Cb -0.13 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.13 1fcl s PHE 3 CO 0.00 -1.85 -0.05 0.21 -0.10 0.00 0.00 175.22 173.43 1fcl s LYS 4 N -4.35 0.52 -0.17 0.44 2.20 -1.00 -2.28 119.74 115.09 1fcl s LYS 4 Ca 0.66 -0.88 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 1fcl s LYS 4 Cb -0.20 -0.06 0.05 0.00 -1.51 0.00 0.00 37.83 36.10 1fcl s LYS 4 CO 0.47 -0.02 0.44 -1.17 -0.36 0.00 0.00 175.35 174.71 1fcl s LEU 5 N -1.99 0.11 -0.11 5.43 0.20 0.29 0.11 118.68 122.71 1fcl s LEU 5 Ca -0.06 0.92 -0.03 0.00 0.69 0.00 0.00 54.13 55.66 1fcl s LEU 5 Cb -0.05 1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 47.18 1fcl s LEU 5 CO -0.03 -0.17 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.22 1fcl s ILE 6 N 0.71 4.17 -0.25 6.68 -1.09 -1.17 0.33 121.20 130.58 1fcl s ILE 6 Ca -0.04 -0.28 -0.24 0.00 -2.23 0.00 0.00 60.65 57.86 1fcl s ILE 6 Cb -0.05 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1fcl s ILE 6 CO -0.05 0.56 0.81 -0.63 -1.23 0.00 0.00 174.94 174.40 1fcl s ILE 7 N -0.38 4.85 -0.56 2.92 1.01 -0.36 -2.84 121.20 125.83 1fcl s ILE 7 Ca 0.07 1.52 0.04 0.00 0.00 0.00 0.00 60.65 62.28 1fcl s ILE 7 Cb -0.12 -4.10 0.39 0.00 0.01 0.00 0.00 42.46 38.63 1fcl s ILE 7 CO 0.02 -0.07 1.23 0.59 0.00 0.00 0.00 174.94 176.71 1fcl n ASN 8 N 5.99 5.17 -4.88 3.58 4.13 -0.63 -3.32 115.26 125.31 1fcl n ASN 8 Ca 0.05 -3.73 -0.30 0.00 1.68 0.00 0.00 54.58 52.28 1fcl n ASN 8 Cb 0.48 -0.60 -0.01 0.00 -1.54 0.00 0.00 39.78 38.10 1fcl n ASN 8 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1fcl s GLY 9 N -3.09 1.78 0.54 7.41 0.00 -0.20 -1.92 107.32 111.85 1fcl s GLY 9 Ca 0.48 -0.19 0.25 0.00 0.00 0.00 0.00 44.72 45.27 1fcl s GLY 9 CO -0.20 0.03 2.03 0.50 0.00 0.00 0.00 173.10 175.46 1fcl h LYS 10 N 0.55 0.00 0.00 2.90 1.57 -1.96 -3.32 116.57 116.32 1fcl h LYS 10 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1fcl h LYS 10 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1fcl h LYS 10 CO 0.62 0.00 -0.66 2.41 -0.57 0.00 0.00 179.45 181.26 1fcl n THR 11 N -4.24 0.00 -3.10 -0.16 -1.04 -1.26 -5.05 114.28 99.43 1fcl n THR 11 Ca 0.06 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.70 1fcl n THR 11 Cb 0.49 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 68.55 1fcl n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fcl s LEU 12 N -4.42 4.41 0.00 -4.42 1.43 -1.25 -5.06 118.68 109.38 1fcl s LEU 12 Ca 0.00 1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.49 1fcl s LEU 12 Cb 0.00 -3.45 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1fcl s LEU 12 CO 0.00 0.10 0.32 0.29 0.23 0.00 0.00 176.35 177.29 1fcl n LYS 13 N 1.01 0.46 0.00 1.70 5.02 -1.26 -1.04 118.16 124.05 1fcl n LYS 13 Ca -0.04 -1.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 1fcl n LYS 13 Cb 0.51 1.24 0.00 0.00 -0.02 0.00 0.00 35.03 36.75 1fcl n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fcl n GLY 14 N -0.24 0.66 3.20 0.72 0.00 -1.21 -4.79 105.19 103.53 1fcl n GLY 14 Ca -0.03 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 1fcl n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fcl s GLU 15 N -0.84 0.89 -0.01 1.61 -1.05 -1.26 -1.22 118.70 116.81 1fcl s GLU 15 Ca 0.00 -1.15 -0.26 0.00 -0.15 0.00 0.00 54.97 53.42 1fcl s GLU 15 Cb 0.00 0.31 0.06 0.00 -0.44 0.00 0.00 34.13 34.05 1fcl s GLU 15 CO 0.00 -0.27 0.57 -0.08 0.95 0.00 0.00 175.26 176.43 1fcl s THR 16 N -3.93 0.02 0.07 1.83 -1.32 0.15 -4.93 115.64 107.53 1fcl s THR 16 Ca 0.12 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1fcl s THR 16 Cb 0.06 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 1fcl s THR 16 CO -0.06 -0.08 -0.05 0.42 -2.21 0.00 0.00 174.62 172.64 1fcl s THR 17 N -1.61 0.45 0.22 5.08 -4.23 -1.26 0.10 115.64 114.39 1fcl s THR 17 Ca -0.10 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1fcl s THR 17 Cb -0.01 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 1fcl s THR 17 CO 0.05 -0.84 0.22 -0.89 -0.54 0.00 0.00 174.62 172.62 1fcl s THR 18 N -3.33 0.00 -0.13 3.99 2.01 -0.97 -4.95 115.64 112.26 1fcl s THR 18 Ca 0.05 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1fcl s THR 18 Cb 0.03 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 70.12 1fcl s THR 18 CO -0.06 0.00 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.04 1fcl s GLU 19 N -4.06 2.10 0.38 4.92 -6.30 -1.26 -1.79 118.70 112.69 1fcl s GLU 19 Ca 0.36 -0.49 -0.15 0.00 -2.50 0.00 0.00 54.97 52.19 1fcl s GLU 19 Cb 0.05 -1.94 0.05 0.00 0.00 0.00 0.00 34.13 32.29 1fcl s GLU 19 CO 0.13 -0.21 0.77 0.00 0.02 0.00 0.00 175.26 175.97 1fcl s ALA 20 N 1.43 -0.67 0.30 6.30 0.00 -1.26 -4.97 121.76 122.89 1fcl s ALA 20 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1fcl s ALA 20 Cb -0.13 0.70 0.47 0.00 0.00 0.00 0.00 23.12 24.16 1fcl s ALA 20 CO -0.08 -0.98 1.97 -0.24 0.00 0.00 0.00 175.76 176.42 1fcl h VAL 21 N 2.01 1.19 -3.19 0.00 3.04 -1.99 -3.45 116.25 113.85 1fcl h VAL 21 Ca -0.32 -0.37 -0.05 0.00 -1.01 0.00 0.00 66.70 64.94 1fcl h VAL 21 Cb 1.25 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 30.39 1fcl h VAL 21 CO 0.40 0.20 -0.03 -0.62 -1.01 0.00 0.00 177.57 176.51 1fcl s ASP 22 N -6.27 -0.31 0.57 3.17 2.15 -1.26 -5.02 116.67 109.70 1fcl s ASP 22 Ca -0.11 -0.15 0.25 0.00 0.43 0.00 0.00 52.55 52.97 1fcl s ASP 22 Cb 0.18 0.48 1.65 0.00 -0.30 0.00 0.00 42.92 44.93 1fcl s ASP 22 CO 0.79 -0.81 2.22 0.00 -0.17 0.00 0.00 175.17 177.21 1fcl h ALA 23 N 2.51 1.67 -0.37 3.66 0.00 -1.97 -1.94 119.26 122.83 1fcl h ALA 23 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1fcl h ALA 23 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1fcl h ALA 23 CO 0.44 -0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.92 1fcl h ALA 24 N 2.00 0.47 -0.02 0.00 0.00 -1.99 0.48 119.26 120.20 1fcl h ALA 24 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fcl h ALA 24 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1fcl h ALA 24 CO -0.00 -0.05 -0.01 1.15 0.00 0.00 0.00 179.25 180.34 1fcl h THR 25 N 0.49 1.34 0.63 0.00 2.02 -1.78 -3.14 112.91 112.47 1fcl h THR 25 Ca 0.13 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 1fcl h THR 25 Cb -0.02 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1fcl h THR 25 CO -0.03 0.27 -0.34 0.00 0.37 0.00 0.00 175.52 175.80 1fcl h ALA 26 N 0.59 -0.91 -1.38 6.16 0.00 -1.28 -2.68 119.26 119.76 1fcl h ALA 26 Ca 0.01 -0.19 0.44 0.00 0.00 0.00 0.00 54.91 55.17 1fcl h ALA 26 Cb 0.45 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1fcl h ALA 26 CO 0.00 -1.02 0.90 1.49 0.00 0.00 0.00 179.25 180.63 1fcl h GLU 27 N -0.90 0.07 -0.43 0.00 4.81 -0.11 1.00 114.58 119.02 1fcl h GLU 27 Ca -0.08 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1fcl h GLU 27 Cb 0.71 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1fcl h GLU 27 CO 0.12 0.05 0.16 0.87 -0.73 0.00 0.00 179.01 179.47 1fcl h LYS 28 N 0.08 0.66 -0.35 1.92 1.57 -1.42 0.23 116.57 119.25 1fcl h LYS 28 Ca 0.82 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 59.36 1fcl h LYS 28 Cb 2.67 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.87 1fcl h LYS 28 CO -0.37 0.62 -0.24 0.28 -0.57 0.00 0.00 179.45 179.18 1fcl h VAL 29 N 0.56 1.27 -0.20 0.50 2.07 0.94 -2.38 116.25 119.01 1fcl h VAL 29 Ca 0.14 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1fcl h VAL 29 Cb 0.22 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1fcl h VAL 29 CO -0.01 0.44 -0.18 -0.07 0.02 0.00 0.00 177.57 177.77 1fcl h LEU 30 N 0.61 0.33 -0.45 2.57 -0.00 -0.29 -1.98 115.31 116.10 1fcl h LEU 30 Ca 0.08 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1fcl h LEU 30 Cb 0.73 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 1fcl h LEU 30 CO 0.06 0.54 0.20 0.50 -0.00 0.00 0.00 178.44 179.73 1fcl h LYS 31 N 0.32 0.66 -1.00 1.13 3.11 -0.08 -1.08 116.57 119.63 1fcl h LYS 31 Ca 0.06 -0.11 0.10 0.00 -2.81 0.00 0.00 60.65 57.89 1fcl h LYS 31 Cb 0.51 -0.11 -0.08 0.00 -1.00 0.00 0.00 32.23 31.55 1fcl h LYS 31 CO 0.03 0.59 0.64 1.96 -2.81 0.00 0.00 179.45 179.86 1fcl h GLN 32 N 0.59 1.02 -0.61 1.90 1.08 -0.91 0.26 115.11 118.44 1fcl h GLN 32 Ca 0.15 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1fcl h GLN 32 Cb 0.16 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1fcl h GLN 32 CO -0.02 0.68 0.16 -0.92 -0.95 0.00 0.00 178.83 177.78 1fcl h TYR 33 N 1.05 1.02 0.00 2.96 3.20 -0.78 -1.89 116.97 122.53 1fcl h TYR 33 Ca 0.47 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1fcl h TYR 33 Cb 0.38 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1fcl h TYR 33 CO -0.00 0.85 -0.25 0.82 -1.64 0.00 0.00 178.16 177.95 1fcl h ILE 34 N 0.89 1.11 -0.10 1.81 1.08 0.36 -2.27 117.51 120.38 1fcl h ILE 34 Ca 0.19 -0.86 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1fcl h ILE 34 Cb 0.34 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1fcl h ILE 34 CO 0.00 0.24 0.09 -1.13 -0.69 0.00 0.00 178.15 176.66 1fcl h ASN 35 N 0.00 0.00 0.04 1.72 -0.73 0.26 0.38 115.58 117.24 1fcl h ASN 35 Ca -0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1fcl h ASN 35 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1fcl h ASN 35 CO 0.03 0.00 -0.02 -0.78 -0.37 0.00 0.00 177.43 176.29 1fcl h ASP 36 N 0.00 -0.05 0.10 1.15 3.58 -1.41 -3.29 116.42 116.49 1fcl h ASP 36 Ca 0.05 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 1fcl h ASP 36 Cb 0.22 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1fcl h ASP 36 CO -0.00 0.69 -0.09 0.78 -2.88 0.00 0.00 179.24 177.74 1fcl h ASN 37 N -0.95 0.00 -0.52 2.28 2.35 -1.52 -3.46 115.58 113.76 1fcl h ASN 37 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1fcl h ASN 37 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1fcl h ASN 37 CO 0.01 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.49 1fcl n GLY 38 N -1.26 0.80 2.61 2.83 0.00 0.10 -4.99 105.19 105.27 1fcl n GLY 38 Ca -0.03 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1fcl n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fcl n ILE 39 N -2.81 1.92 -4.03 -0.61 2.08 -1.18 -5.02 119.36 109.71 1fcl n ILE 39 Ca 0.00 -5.01 -0.31 0.00 0.56 0.00 0.00 62.75 57.99 1fcl n ILE 39 Cb 0.44 -2.12 -0.15 0.00 -0.75 0.00 0.00 39.64 37.06 1fcl n ILE 39 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1fcl s ASP 40 N -1.99 4.70 0.00 4.38 -1.08 -1.26 -4.73 116.67 116.69 1fcl s ASP 40 Ca 0.34 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.37 1fcl s ASP 40 Cb 0.07 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.92 1fcl s ASP 40 CO -0.08 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 175.88 1fcl n GLY 41 N 4.29 0.31 2.92 2.66 0.00 -1.11 -4.89 105.19 109.36 1fcl n GLY 41 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1fcl n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fcl s GLU 42 N 0.00 1.56 0.37 1.61 8.01 0.15 -4.92 118.70 125.49 1fcl s GLU 42 Ca 0.00 -0.27 0.05 0.00 0.01 0.00 0.00 54.97 54.75 1fcl s GLU 42 Cb 0.00 -1.59 -0.01 0.00 -4.31 0.00 0.00 34.13 28.22 1fcl s GLU 42 CO 0.00 -0.25 0.54 -1.58 0.01 0.00 0.00 175.26 173.98 1fcl s TRP 43 N 1.64 3.14 -0.14 1.61 0.52 -1.26 -1.48 118.94 122.96 1fcl s TRP 43 Ca 0.04 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 55.99 1fcl s TRP 43 Cb -0.13 -2.11 0.05 0.00 -1.15 0.00 0.00 33.47 30.14 1fcl s TRP 43 CO -0.08 -0.13 0.35 0.95 0.02 0.00 0.00 176.95 178.06 1fcl s THR 44 N -2.30 -0.03 0.66 2.01 -4.23 -1.23 -4.88 115.64 105.64 1fcl s THR 44 Ca 0.46 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 1fcl s THR 44 Cb -0.10 -0.52 0.04 0.00 1.34 0.00 0.00 72.50 73.27 1fcl s THR 44 CO 0.33 0.04 0.96 -0.47 -0.54 0.00 0.00 174.62 174.95 1fcl s TYR 45 N 1.26 3.03 -0.07 3.99 5.04 -1.26 -2.09 117.35 127.24 1fcl s TYR 45 Ca -0.09 0.49 -0.03 0.00 -2.44 0.00 0.00 57.07 55.00 1fcl s TYR 45 Cb -0.09 -3.01 0.04 0.00 0.35 0.00 0.00 41.96 39.26 1fcl s TYR 45 CO -0.10 -1.17 0.16 -0.51 -1.34 0.00 0.00 175.55 172.58 1fcl s ASP 46 N -4.44 0.18 0.00 4.32 1.01 -0.74 -4.91 116.67 112.09 1fcl s ASP 46 Ca 0.58 0.32 0.19 0.00 0.71 0.00 0.00 52.55 54.35 1fcl s ASP 46 Cb -0.11 0.23 0.93 0.00 1.01 0.00 0.00 42.92 44.98 1fcl s ASP 46 CO 0.44 -0.18 1.60 0.47 0.21 0.00 0.00 175.17 177.71 1fcl n ASP 47 N 4.60 0.00 0.00 0.27 8.00 -1.26 -2.53 116.55 125.64 1fcl n ASP 47 Ca -0.19 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1fcl n ASP 47 Cb 0.51 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1fcl n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fcl n ALA 48 N -1.34 -0.33 -2.62 2.24 0.00 -1.26 -4.40 120.51 112.81 1fcl n ALA 48 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1fcl n ALA 48 Cb 0.17 0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.74 1fcl n ALA 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1fcl n THR 49 N -1.85 1.47 -3.56 0.00 5.66 -1.26 -4.97 114.28 109.78 1fcl n THR 49 Ca 0.00 -3.07 -0.20 0.00 -3.05 0.00 0.00 64.05 57.73 1fcl n THR 49 Cb 0.00 0.73 0.07 0.00 -1.55 0.00 0.00 70.33 69.58 1fcl n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1fcl n LYS 50 N -0.56 -6.06 -2.69 1.09 4.76 -1.05 -4.64 118.16 109.02 1fcl n LYS 50 Ca 0.15 0.76 -0.22 0.00 -2.87 0.00 0.00 58.31 56.13 1fcl n LYS 50 Cb 0.86 -5.61 0.03 0.00 -1.84 0.00 0.00 35.03 28.47 1fcl n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1fcl s THR 51 N -3.47 2.92 0.03 -0.18 2.01 -1.18 -2.38 115.64 113.40 1fcl s THR 51 Ca 0.07 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1fcl s THR 51 Cb -0.03 -3.10 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 1fcl s THR 51 CO 0.76 -0.07 0.02 0.79 -0.69 0.00 0.00 174.62 175.43 1fcl n TRP 52 N -2.32 -0.04 -3.88 4.92 7.02 0.31 -1.79 117.44 121.66 1fcl n TRP 52 Ca 0.07 -0.26 -0.08 0.00 -1.02 0.00 0.00 57.50 56.21 1fcl n TRP 52 Cb 0.59 0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.48 1fcl n TRP 52 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1fcl s THR 53 N -1.97 0.00 -0.39 -0.99 2.01 -0.89 -3.05 115.64 110.37 1fcl s THR 53 Ca 0.03 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 1fcl s THR 53 Cb 0.00 -2.26 0.20 0.00 0.01 0.00 0.00 72.50 70.45 1fcl s THR 53 CO 0.02 0.00 0.94 0.54 -0.69 0.00 0.00 174.62 175.44 1fcl s VAL 54 N -3.54 -0.49 0.01 3.82 0.11 -1.13 -3.57 120.40 115.61 1fcl s VAL 54 Ca 0.15 -0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 1fcl s VAL 54 Cb -0.05 0.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.75 1fcl s VAL 54 CO 0.09 0.00 0.52 -0.89 -3.33 0.00 0.00 175.10 171.49 1fcl s THR 55 N 1.29 4.92 -2.00 5.04 2.01 -0.55 -1.60 115.64 124.76 1fcl s THR 55 Ca 0.22 1.08 0.25 0.00 0.31 0.00 0.00 61.69 63.56 1fcl s THR 55 Cb 0.05 -3.84 0.72 0.00 0.01 0.00 0.00 72.50 69.44 1fcl s THR 55 CO -0.10 0.50 1.87 1.21 -0.69 0.00 0.00 174.62 177.41