#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 4.80 0.55 4.28 2.01 -1.26 -4.19 115.64 121.83 1fcl s THR 2 Ca 0.00 1.39 -0.09 0.00 0.31 0.00 0.00 61.69 63.30 1fcl s THR 2 Cb 0.00 -4.14 0.13 0.00 0.01 0.00 0.00 72.50 68.49 1fcl s THR 2 CO 0.00 -0.18 0.75 0.49 -0.69 0.00 0.00 174.62 174.99 1fcl n PHE 3 N 6.15 -3.94 -3.67 4.92 3.72 0.53 -4.85 117.46 120.32 1fcl n PHE 3 Ca 0.05 -0.70 -0.15 0.00 -0.05 0.00 0.00 57.45 56.60 1fcl n PHE 3 Cb 0.48 -0.58 -0.08 0.00 -0.94 0.00 0.00 39.48 38.36 1fcl n PHE 3 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1fcl s LYS 4 N -4.61 0.80 -0.14 -1.08 2.20 -1.19 -3.30 119.74 112.42 1fcl s LYS 4 Ca 0.43 0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.94 1fcl s LYS 4 Cb -0.01 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1fcl s LYS 4 CO 0.30 -0.23 0.35 -1.17 -0.36 0.00 0.00 175.35 174.24 1fcl s LEU 5 N -1.20 0.48 -0.13 5.43 0.20 0.29 0.12 118.68 123.87 1fcl s LEU 5 Ca -0.12 0.72 -0.03 0.00 0.69 0.00 0.00 54.13 55.40 1fcl s LEU 5 Cb -0.03 1.18 -0.03 0.00 -0.43 0.00 0.00 46.19 46.88 1fcl s LEU 5 CO 0.06 -0.14 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.32 1fcl s ILE 6 N 0.54 4.00 -0.25 6.68 -1.09 -1.18 0.29 121.20 130.19 1fcl s ILE 6 Ca -0.03 -0.34 -0.23 0.00 -2.23 0.00 0.00 60.65 57.82 1fcl s ILE 6 Cb -0.04 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 38.11 1fcl s ILE 6 CO -0.03 0.54 0.76 -0.63 -1.23 0.00 0.00 174.94 174.35 1fcl s ILE 7 N -0.12 4.89 -0.53 2.92 1.01 -0.27 -2.84 121.20 126.26 1fcl s ILE 7 Ca 0.03 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.14 1fcl s ILE 7 Cb -0.13 -4.06 0.39 0.00 0.01 0.00 0.00 42.46 38.68 1fcl s ILE 7 CO 0.02 -0.04 1.21 0.59 0.00 0.00 0.00 174.94 176.72 1fcl n ASN 8 N 5.90 5.08 -4.88 3.58 4.13 -0.32 -3.13 115.26 125.63 1fcl n ASN 8 Ca 0.04 -3.73 -0.30 0.00 1.68 0.00 0.00 54.58 52.27 1fcl n ASN 8 Cb 0.48 -0.57 0.01 0.00 -1.54 0.00 0.00 39.78 38.15 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 -3.17 1.61 0.54 7.41 0.00 -0.18 -1.70 107.32 111.83 1fcl s GLY 9 Ca 0.48 -0.22 0.25 0.00 0.00 0.00 0.00 44.72 45.24 1fcl s GLY 9 CO -0.20 0.02 2.02 0.50 0.00 0.00 0.00 173.10 175.44 1fcl h LYS 10 N -0.16 0.00 0.00 2.90 1.57 -1.96 -3.34 116.57 115.59 1fcl h LYS 10 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 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 -0.53 2.41 -0.57 0.00 0.00 179.45 181.38 1fcl n THR 11 N -4.26 0.00 -2.86 -0.16 -1.04 -1.26 -5.04 114.28 99.65 1fcl n THR 11 Ca 0.07 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 1fcl n THR 11 Cb 0.52 -0.47 -0.04 0.00 -1.82 0.00 0.00 70.33 68.52 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 -4.45 4.39 0.00 -4.42 1.43 -1.25 -5.03 118.68 109.35 1fcl s LEU 12 Ca 0.00 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1fcl s LEU 12 Cb 0.00 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.85 1fcl s LEU 12 CO 0.00 -0.13 0.30 0.29 0.23 0.00 0.00 176.35 177.04 1fcl n LYS 13 N 3.46 0.44 0.00 1.70 5.02 -1.26 -1.01 118.16 126.50 1fcl n LYS 13 Ca 0.02 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1fcl n LYS 13 Cb 0.51 1.68 0.00 0.00 -0.02 0.00 0.00 35.03 37.19 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 -0.36 0.73 3.26 0.72 0.00 -1.18 -4.81 105.19 103.55 1fcl n GLY 14 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.15 1.01 0.11 1.61 -1.05 -1.26 -1.11 118.70 116.86 1fcl s GLU 15 Ca 0.00 -1.14 -0.22 0.00 -0.15 0.00 0.00 54.97 53.45 1fcl s GLU 15 Cb 0.00 0.34 0.06 0.00 -0.44 0.00 0.00 34.13 34.09 1fcl s GLU 15 CO 0.00 -0.34 0.55 -0.08 0.95 0.00 0.00 175.26 176.34 1fcl s THR 16 N -3.94 0.02 0.05 1.83 -1.32 0.14 -4.93 115.64 107.50 1fcl s THR 16 Ca 0.14 -0.16 -0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1fcl s THR 16 Cb 0.04 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1fcl s THR 16 CO -0.04 -0.09 -0.04 0.42 -2.21 0.00 0.00 174.62 172.67 1fcl s THR 17 N -3.25 0.30 0.10 5.08 -4.23 -1.26 0.11 115.64 112.47 1fcl s THR 17 Ca -0.01 -1.72 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1fcl s THR 17 Cb -0.00 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1fcl s THR 17 CO -0.08 -0.91 0.16 -0.89 -0.54 0.00 0.00 174.62 172.36 1fcl s THR 18 N -3.55 0.14 -0.22 3.99 2.01 -1.21 -4.91 115.64 111.88 1fcl s THR 18 Ca 0.05 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1fcl s THR 18 Cb 0.05 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 71.09 1fcl s THR 18 CO -0.08 -0.63 -0.12 -0.70 -0.69 0.00 0.00 174.62 172.39 1fcl s GLU 19 N -3.90 2.83 0.35 4.92 2.12 -1.26 -0.35 118.70 123.41 1fcl s GLU 19 Ca 0.09 -0.96 -0.05 0.00 0.36 0.00 0.00 54.97 54.40 1fcl s GLU 19 Cb 0.05 -2.80 0.01 0.00 0.26 0.00 0.00 34.13 31.65 1fcl s GLU 19 CO -0.08 -0.34 0.54 0.00 -0.54 0.00 0.00 175.26 174.84 1fcl s ALA 20 N 1.28 0.44 0.31 6.30 0.00 -1.26 -5.00 121.76 123.83 1fcl s ALA 20 Ca 0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1fcl s ALA 20 Cb -0.16 1.06 0.50 0.00 0.00 0.00 0.00 23.12 24.52 1fcl s ALA 20 CO -0.08 -0.83 1.97 -0.24 0.00 0.00 0.00 175.76 176.58 1fcl h VAL 21 N 2.09 1.18 -3.52 0.00 3.04 -1.97 -3.39 116.25 113.67 1fcl h VAL 21 Ca -0.29 -0.36 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 1fcl h VAL 21 Cb 1.24 0.04 -0.13 0.00 -2.01 0.00 0.00 31.29 30.44 1fcl h VAL 21 CO 0.39 0.19 -0.15 -0.62 -1.01 0.00 0.00 177.57 176.37 1fcl s ASP 22 N -6.29 -0.14 0.37 3.17 -1.08 -1.26 -4.86 116.67 106.59 1fcl s ASP 22 Ca -0.11 -0.45 0.04 0.00 -0.52 0.00 0.00 52.55 51.51 1fcl s ASP 22 Cb 0.18 0.45 0.72 0.00 -1.46 0.00 0.00 42.92 42.81 1fcl s ASP 22 CO 0.79 -0.85 2.02 0.00 0.52 0.00 0.00 175.17 177.65 1fcl h ALA 23 N 2.45 1.59 -0.54 3.66 0.00 -1.96 -2.27 119.26 122.19 1fcl h ALA 23 Ca -0.33 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1fcl h ALA 23 Cb 1.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1fcl h ALA 23 CO 0.48 0.36 0.29 0.00 0.00 0.00 0.00 179.25 180.38 1fcl h ALA 24 N 1.65 0.70 -0.36 0.00 0.00 -1.99 -0.05 119.26 119.21 1fcl h ALA 24 Ca 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1fcl h ALA 24 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1fcl h ALA 24 CO -0.04 -0.05 0.09 1.15 0.00 0.00 0.00 179.25 180.41 1fcl h THR 25 N 0.55 1.22 0.93 0.00 2.02 -1.83 -3.15 112.91 112.65 1fcl h THR 25 Ca 0.24 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 1fcl h THR 25 Cb 0.13 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1fcl h THR 25 CO -0.15 0.25 -0.44 0.00 0.37 0.00 0.00 175.52 175.55 1fcl h ALA 26 N 0.94 -1.32 -1.09 6.16 0.00 -0.99 -2.76 119.26 120.20 1fcl h ALA 26 Ca 0.11 -0.27 0.32 0.00 0.00 0.00 0.00 54.91 55.07 1fcl h ALA 26 Cb 0.29 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1fcl h ALA 26 CO 0.00 -1.23 1.03 1.05 0.00 0.00 0.00 179.25 180.10 1fcl h GLU 27 N -1.26 0.00 -0.29 0.00 4.11 -1.07 0.89 114.58 116.97 1fcl h GLU 27 Ca -0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 1fcl h GLU 27 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1fcl h GLU 27 CO 0.21 0.00 -0.18 0.87 0.07 0.00 0.00 179.01 179.98 1fcl h LYS 28 N 0.00 0.64 -0.22 1.06 1.57 -1.44 0.92 116.57 119.10 1fcl h LYS 28 Ca 0.52 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1fcl h LYS 28 Cb 2.57 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.86 1fcl h LYS 28 CO -0.01 0.88 -0.45 0.28 -0.57 0.00 0.00 179.45 179.59 1fcl h VAL 29 N 0.38 1.31 -0.21 0.50 2.07 0.74 -2.60 116.25 118.44 1fcl h VAL 29 Ca 0.06 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 1fcl h VAL 29 Cb 0.71 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1fcl h VAL 29 CO 0.05 0.51 -0.21 -0.07 0.02 0.00 0.00 177.57 177.88 1fcl h LEU 30 N 0.44 0.37 -0.55 2.57 -0.00 -0.84 -2.02 115.31 115.28 1fcl h LEU 30 Ca 0.03 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1fcl h LEU 30 Cb 0.96 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.49 1fcl h LEU 30 CO 0.09 0.59 0.33 0.50 -0.00 0.00 0.00 178.44 179.95 1fcl h LYS 31 N 0.35 0.75 -1.00 1.13 3.11 -0.45 -0.02 116.57 120.43 1fcl h LYS 31 Ca 0.06 -0.07 0.10 0.00 -2.81 0.00 0.00 60.65 57.93 1fcl h LYS 31 Cb 0.56 -0.16 -0.08 0.00 -1.00 0.00 0.00 32.23 31.56 1fcl h LYS 31 CO 0.04 0.54 0.64 1.96 -2.81 0.00 0.00 179.45 179.81 1fcl h GLN 32 N 0.74 1.02 -0.50 1.90 4.20 -1.05 0.40 115.11 121.82 1fcl h GLN 32 Ca 0.20 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1fcl h GLN 32 Cb -0.02 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1fcl h GLN 32 CO -0.04 0.68 0.02 -0.92 -0.67 0.00 0.00 178.83 177.90 1fcl h TYR 33 N 1.05 0.93 0.00 2.96 3.20 -0.82 -2.05 116.97 122.24 1fcl h TYR 33 Ca 0.47 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 1fcl h TYR 33 Cb 0.38 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1fcl h TYR 33 CO -0.00 0.87 -0.16 0.82 -1.64 0.00 0.00 178.16 178.05 1fcl h ILE 34 N 0.72 0.90 -0.13 1.81 1.08 0.96 -2.14 117.51 120.70 1fcl h ILE 34 Ca 0.14 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1fcl h ILE 34 Cb 0.48 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1fcl h ILE 34 CO 0.02 0.16 0.12 -1.13 -0.69 0.00 0.00 178.15 176.63 1fcl h ASN 35 N 0.00 0.00 0.06 1.72 -0.73 0.44 0.56 115.58 117.63 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 0.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.92 1fcl h ASN 35 CO 0.02 0.00 -0.03 0.44 -0.37 0.00 0.00 177.43 177.49 1fcl h ASP 36 N 0.00 -0.07 0.15 1.15 5.19 -1.43 -3.30 116.42 118.10 1fcl h ASP 36 Ca 0.06 -0.43 -0.03 0.00 -0.62 0.00 0.00 57.03 56.02 1fcl h ASP 36 Cb 0.31 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1fcl h ASP 36 CO -0.00 0.61 -0.12 0.78 -3.12 0.00 0.00 179.24 177.39 1fcl h ASN 37 N -0.96 0.00 0.00 6.45 4.21 -1.57 -3.46 115.58 120.25 1fcl h ASN 37 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1fcl h ASN 37 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1fcl h ASN 37 CO 0.01 0.12 0.00 0.61 -1.29 0.00 0.00 177.43 176.89 1fcl n GLY 38 N -1.12 0.60 2.80 2.83 0.00 0.17 -5.00 105.19 105.46 1fcl n GLY 38 Ca -0.03 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.56 3.61 -3.94 -0.61 2.08 -1.18 -4.96 119.36 110.79 1fcl n ILE 39 Ca 0.00 -5.46 -0.31 0.00 0.56 0.00 0.00 62.75 57.54 1fcl n ILE 39 Cb 0.42 -2.16 -0.14 0.00 -0.75 0.00 0.00 39.64 37.01 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 -1.68 4.51 0.00 4.38 2.15 -1.26 -4.79 116.67 119.98 1fcl s ASP 40 Ca 0.34 -2.80 0.00 0.00 0.43 0.00 0.00 52.55 50.52 1fcl s ASP 40 Cb 0.06 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 1fcl s ASP 40 CO 0.00 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 1fcl n GLY 41 N 3.41 0.57 2.97 2.66 0.00 -1.09 -4.96 105.19 108.75 1fcl n GLY 41 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 1.93 0.35 1.61 2.02 -0.22 -4.92 118.70 119.47 1fcl s GLU 42 Ca 0.00 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 54.63 1fcl s GLU 42 Cb 0.00 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 1fcl s GLU 42 CO 0.00 -0.24 0.50 -1.58 0.02 0.00 0.00 175.26 173.96 1fcl s TRP 43 N 1.56 3.12 -0.14 1.61 0.52 -1.26 -1.73 118.94 122.62 1fcl s TRP 43 Ca 0.04 -0.16 -0.08 0.00 0.02 0.00 0.00 56.10 55.92 1fcl s TRP 43 Cb -0.13 -2.05 0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1fcl s TRP 43 CO -0.09 -0.07 0.34 0.95 0.02 0.00 0.00 176.95 178.09 1fcl s THR 44 N -2.23 -0.03 0.26 2.01 -4.23 -1.24 -4.89 115.64 105.29 1fcl s THR 44 Ca 0.46 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1fcl s THR 44 Cb -0.10 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1fcl s THR 44 CO 0.32 0.04 0.40 -0.47 -0.54 0.00 0.00 174.62 174.37 1fcl s TYR 45 N 1.22 3.46 -0.16 3.99 5.04 -1.26 -2.30 117.35 127.33 1fcl s TYR 45 Ca -0.08 0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.53 1fcl s TYR 45 Cb -0.09 -1.63 0.07 0.00 0.35 0.00 0.00 41.96 40.66 1fcl s TYR 45 CO -0.10 0.38 0.34 0.16 -1.34 0.00 0.00 175.55 174.99 1fcl s ASP 46 N -3.99 -0.01 0.34 4.32 1.47 -1.07 -5.00 116.67 112.73 1fcl s ASP 46 Ca 0.35 0.78 0.27 0.00 1.18 0.00 0.00 52.55 55.13 1fcl s ASP 46 Cb -0.09 0.97 1.02 0.00 -0.34 0.00 0.00 42.92 44.48 1fcl s ASP 46 CO 0.30 -0.23 1.79 -0.78 0.68 0.00 0.00 175.17 176.93 1fcl h ASP 47 N 8.09 0.00 -0.67 2.11 3.58 -1.95 0.56 116.42 128.13 1fcl h ASP 47 Ca -0.18 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.41 1fcl h ASP 47 Cb 1.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 1fcl h ASP 47 CO 0.15 0.00 0.46 0.00 -2.88 0.00 0.00 179.24 176.97 1fcl h ALA 48 N 2.21 2.17 0.00 -0.78 0.00 -1.97 -3.30 119.26 117.60 1fcl h ALA 48 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1fcl h ALA 48 Cb 0.50 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1fcl h ALA 48 CO 0.00 -0.35 -0.27 -2.37 0.00 0.00 0.00 179.25 176.27 1fcl n THR 49 N -4.46 0.00 -2.21 0.00 5.66 -1.20 -4.99 114.28 107.08 1fcl n THR 49 Ca 0.12 -0.10 -0.11 0.00 -3.05 0.00 0.00 64.05 60.91 1fcl n THR 49 Cb 0.51 0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 69.59 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 0.05 -2.07 -2.12 1.09 4.76 0.18 -4.73 118.16 115.31 1fcl n LYS 50 Ca -0.06 0.58 -0.27 0.00 -2.87 0.00 0.00 58.31 55.69 1fcl n LYS 50 Cb 0.65 -5.10 0.06 0.00 -1.84 0.00 0.00 35.03 28.81 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 -2.45 2.58 0.03 -0.18 2.01 -1.17 -3.15 115.64 113.31 1fcl s THR 51 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1fcl s THR 51 Cb 0.00 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 1fcl s THR 51 CO 0.00 -0.15 0.01 0.79 -0.69 0.00 0.00 174.62 174.58 1fcl n TRP 52 N -2.97 -0.01 -3.89 4.92 7.02 0.32 -2.60 117.44 120.23 1fcl n TRP 52 Ca 0.07 -0.21 -0.08 0.00 -1.02 0.00 0.00 57.50 56.27 1fcl n TRP 52 Cb 0.60 0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.47 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 -1.76 0.00 -0.36 -0.99 2.01 -0.97 -3.13 115.64 110.43 1fcl s THR 53 Ca 0.02 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 1fcl s THR 53 Cb 0.00 -2.13 0.20 0.00 0.01 0.00 0.00 72.50 70.58 1fcl s THR 53 CO 0.01 0.00 0.98 0.54 -0.69 0.00 0.00 174.62 175.47 1fcl s VAL 54 N -3.80 -0.38 0.11 3.82 0.11 -1.13 -3.64 120.40 115.49 1fcl s VAL 54 Ca 0.14 -0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1fcl s VAL 54 Cb -0.05 0.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.74 1fcl s VAL 54 CO 0.08 0.00 0.42 -0.89 -3.33 0.00 0.00 175.10 171.38 1fcl s THR 55 N 1.47 5.07 -2.92 5.04 2.01 -0.71 -1.17 115.64 124.43 1fcl s THR 55 Ca 0.20 0.41 0.25 0.00 0.31 0.00 0.00 61.69 62.85 1fcl s THR 55 Cb 0.06 -3.65 0.25 0.00 0.01 0.00 0.00 72.50 69.17 1fcl s THR 55 CO -0.11 0.20 1.34 1.21 -0.69 0.00 0.00 174.62 176.56