#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 4.92 0.93 1.09 2.01 -1.26 -4.82 115.64 118.51 1fcl s THR 2 Ca 0.00 0.84 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 1fcl s THR 2 Cb 0.00 -3.74 0.16 0.00 0.01 0.00 0.00 72.50 68.93 1fcl s THR 2 CO 0.00 0.39 1.23 -0.36 -0.69 0.00 0.00 174.62 175.19 1fcl s PHE 3 N -1.29 2.04 0.08 4.92 0.08 -0.17 -4.85 117.98 118.78 1fcl s PHE 3 Ca 0.32 0.55 -0.09 0.00 0.12 0.00 0.00 56.93 57.82 1fcl s PHE 3 Cb -0.16 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.53 1fcl s PHE 3 CO 0.18 -2.46 0.20 0.21 -0.10 0.00 0.00 175.22 173.25 1fcl s LYS 4 N -5.66 0.82 -0.25 0.44 2.20 -1.14 -2.66 119.74 113.49 1fcl s LYS 4 Ca 0.69 -0.85 -0.17 0.00 -0.36 0.00 0.00 55.97 55.27 1fcl s LYS 4 Cb -0.08 0.33 0.07 0.00 -1.51 0.00 0.00 37.83 36.64 1fcl s LYS 4 CO 0.52 -0.26 0.62 -1.17 -0.36 0.00 0.00 175.35 174.71 1fcl s LEU 5 N -2.64 -0.61 -0.12 5.43 0.20 0.32 0.11 118.68 121.37 1fcl s LEU 5 Ca 0.02 1.33 -0.05 0.00 0.69 0.00 0.00 54.13 56.12 1fcl s LEU 5 Cb 0.03 2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 47.90 1fcl s LEU 5 CO -0.09 -0.23 0.06 -0.63 -0.29 0.00 0.00 176.35 175.17 1fcl s ILE 6 N 1.08 4.78 -0.31 6.68 -1.09 -0.99 0.22 121.20 131.57 1fcl s ILE 6 Ca -0.06 -0.06 -0.24 0.00 -2.23 0.00 0.00 60.65 58.06 1fcl s ILE 6 Cb -0.05 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1fcl s ILE 6 CO -0.11 0.57 0.83 -0.63 -1.23 0.00 0.00 174.94 174.38 1fcl s ILE 7 N -0.59 4.75 -0.54 2.92 -1.09 0.29 -2.66 121.20 124.28 1fcl s ILE 7 Ca 0.11 1.27 0.04 0.00 -2.23 0.00 0.00 60.65 59.84 1fcl s ILE 7 Cb -0.12 -4.19 0.39 0.00 -1.58 0.00 0.00 42.46 36.96 1fcl s ILE 7 CO 0.02 -0.29 1.21 0.59 -1.23 0.00 0.00 174.94 175.24 1fcl n ASN 8 N 6.31 5.08 -4.88 3.58 4.13 -0.76 -3.05 115.26 125.67 1fcl n ASN 8 Ca 0.05 -3.73 -0.30 0.00 1.68 0.00 0.00 54.58 52.29 1fcl n ASN 8 Cb 0.48 -0.57 0.01 0.00 -1.54 0.00 0.00 39.78 38.16 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 -3.18 1.62 0.55 7.41 0.00 -0.36 -1.90 107.32 111.46 1fcl s GLY 9 Ca 0.48 -0.25 0.24 0.00 0.00 0.00 0.00 44.72 45.20 1fcl s GLY 9 CO -0.20 0.01 2.08 0.50 0.00 0.00 0.00 173.10 175.49 1fcl h LYS 10 N -0.23 0.00 0.00 2.90 1.57 -1.95 -3.34 116.57 115.52 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1fcl h LYS 10 CO 0.62 0.00 -0.52 2.41 -0.57 0.00 0.00 179.45 181.39 1fcl n THR 11 N -4.18 0.00 -2.90 -0.16 -1.04 -1.26 -5.06 114.28 99.68 1fcl n THR 11 Ca 0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.66 1fcl n THR 11 Cb 0.36 -0.46 -0.06 0.00 -1.82 0.00 0.00 70.33 68.35 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 -4.43 4.45 0.34 -4.42 1.43 -1.25 -5.05 118.68 109.74 1fcl s LEU 12 Ca 0.00 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.66 1fcl s LEU 12 Cb 0.00 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.57 1fcl s LEU 12 CO 0.00 0.06 0.69 -0.54 0.23 0.00 0.00 176.35 176.79 1fcl s LYS 13 N -1.69 2.01 0.00 1.70 1.02 -1.26 -1.22 119.74 120.30 1fcl s LYS 13 Ca 0.44 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1fcl s LYS 13 Cb -0.20 0.58 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1fcl s LYS 13 CO 0.25 -0.91 0.00 0.41 -0.92 0.00 0.00 175.35 174.18 1fcl n GLY 14 N -0.50 0.91 3.31 -3.33 0.00 -1.17 -4.83 105.19 99.58 1fcl n GLY 14 Ca -0.05 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.66 1.24 -0.02 1.61 -1.05 -1.26 0.10 118.70 117.66 1fcl s GLU 15 Ca 0.00 -1.55 -0.25 0.00 -0.15 0.00 0.00 54.97 53.02 1fcl s GLU 15 Cb 0.00 -0.89 0.05 0.00 -0.44 0.00 0.00 34.13 32.86 1fcl s GLU 15 CO 0.00 0.11 0.55 -0.08 0.95 0.00 0.00 175.26 176.79 1fcl s THR 16 N -3.15 0.02 0.07 1.83 -1.32 0.13 -4.92 115.64 108.31 1fcl s THR 16 Ca 0.21 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1fcl s THR 16 Cb 0.01 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 1fcl s THR 16 CO 0.05 -0.10 -0.06 0.42 -2.21 0.00 0.00 174.62 172.72 1fcl s THR 17 N -1.53 0.51 0.17 5.08 -4.23 -1.26 0.12 115.64 114.49 1fcl s THR 17 Ca -0.10 -1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1fcl s THR 17 Cb -0.01 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.45 1fcl s THR 17 CO 0.06 -0.79 0.13 -0.89 -0.54 0.00 0.00 174.62 172.59 1fcl s THR 18 N -3.13 0.06 -0.19 3.99 2.01 -1.09 -4.93 115.64 112.35 1fcl s THR 18 Ca 0.05 -1.87 0.01 0.00 0.31 0.00 0.00 61.69 60.19 1fcl s THR 18 Cb 0.02 -2.20 0.04 0.00 0.01 0.00 0.00 72.50 70.36 1fcl s THR 18 CO -0.05 -0.25 -0.14 -0.70 -0.69 0.00 0.00 174.62 172.79 1fcl s GLU 19 N -4.08 2.37 0.33 4.92 2.12 -1.26 -1.00 118.70 122.09 1fcl s GLU 19 Ca 0.29 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 54.65 1fcl s GLU 19 Cb 0.06 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.99 1fcl s GLU 19 CO 0.06 -0.36 0.58 0.00 -0.54 0.00 0.00 175.26 175.00 1fcl s ALA 20 N 1.34 0.01 0.26 6.30 0.00 -1.26 -4.99 121.76 123.42 1fcl s ALA 20 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1fcl s ALA 20 Cb -0.15 0.98 0.34 0.00 0.00 0.00 0.00 23.12 24.29 1fcl s ALA 20 CO -0.09 -0.87 1.90 -0.39 0.00 0.00 0.00 175.76 176.30 1fcl h VAL 21 N 2.11 1.16 -3.63 0.00 -1.51 -1.98 -3.45 116.25 108.94 1fcl h VAL 21 Ca -0.28 -0.43 -0.07 0.00 -1.23 0.00 0.00 66.70 64.69 1fcl h VAL 21 Cb 1.25 -0.20 -0.13 0.00 -2.13 0.00 0.00 31.29 30.08 1fcl h VAL 21 CO 0.38 0.23 -0.22 -1.81 -1.23 0.00 0.00 177.57 174.92 1fcl s ASP 22 N -5.98 -0.05 0.53 4.19 1.01 -1.26 -5.03 116.67 110.08 1fcl s ASP 22 Ca -0.13 -0.56 0.23 0.00 0.71 0.00 0.00 52.55 52.81 1fcl s ASP 22 Cb 0.19 0.43 1.47 0.00 1.01 0.00 0.00 42.92 46.02 1fcl s ASP 22 CO 0.82 -0.83 2.15 0.00 0.21 0.00 0.00 175.17 177.51 1fcl h ALA 23 N 2.53 1.62 -0.38 5.23 0.00 -1.96 -2.20 119.26 124.10 1fcl h ALA 23 Ca -0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1fcl h ALA 23 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1fcl h ALA 23 CO 0.50 0.07 0.24 0.00 0.00 0.00 0.00 179.25 180.06 1fcl h ALA 24 N 1.94 0.48 -0.07 0.00 0.00 -1.99 0.27 119.26 119.90 1fcl h ALA 24 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1fcl h ALA 24 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fcl h ALA 24 CO 0.01 -0.03 -0.02 1.15 0.00 0.00 0.00 179.25 180.35 1fcl h THR 25 N 0.50 1.30 0.78 0.00 2.02 -1.82 -3.13 112.91 112.56 1fcl h THR 25 Ca 0.14 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1fcl h THR 25 Cb -0.02 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1fcl h THR 25 CO -0.03 0.27 -0.41 0.00 0.37 0.00 0.00 175.52 175.71 1fcl h ALA 26 N 0.65 -1.11 -1.42 6.16 0.00 -1.28 -2.72 119.26 119.54 1fcl h ALA 26 Ca 0.02 -0.23 0.46 0.00 0.00 0.00 0.00 54.91 55.15 1fcl h ALA 26 Cb 0.43 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1fcl h ALA 26 CO 0.01 -1.13 0.94 1.49 0.00 0.00 0.00 179.25 180.56 1fcl h GLU 27 N -1.10 0.06 -0.46 0.00 4.81 -0.53 0.99 114.58 118.36 1fcl h GLU 27 Ca -0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1fcl h GLU 27 Cb 0.86 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1fcl h GLU 27 CO 0.15 0.04 0.19 0.87 -0.73 0.00 0.00 179.01 179.53 1fcl h LYS 28 N 0.06 0.69 -0.34 1.92 1.57 -1.42 0.27 116.57 119.32 1fcl h LYS 28 Ca 0.83 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 59.36 1fcl h LYS 28 Cb 2.77 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.96 1fcl h LYS 28 CO -0.34 0.62 -0.30 0.28 -0.57 0.00 0.00 179.45 179.14 1fcl h VAL 29 N 0.60 1.28 -0.13 0.50 2.07 0.93 -2.47 116.25 119.04 1fcl h VAL 29 Ca 0.15 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1fcl h VAL 29 Cb 0.19 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1fcl h VAL 29 CO -0.01 0.47 -0.21 -0.07 0.02 0.00 0.00 177.57 177.77 1fcl h LEU 30 N 0.62 0.22 -0.48 2.57 -0.00 -0.39 -1.89 115.31 115.97 1fcl h LEU 30 Ca 0.07 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1fcl h LEU 30 Cb 0.82 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 1fcl h LEU 30 CO 0.07 0.45 0.21 0.50 -0.00 0.00 0.00 178.44 179.67 1fcl h LYS 31 N 0.21 0.70 -1.00 1.13 3.11 -0.04 -1.31 116.57 119.37 1fcl h LYS 31 Ca 0.04 -0.11 0.10 0.00 -2.81 0.00 0.00 60.65 57.86 1fcl h LYS 31 Cb 0.50 -0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 31.53 1fcl h LYS 31 CO 0.03 0.61 0.64 1.96 -2.81 0.00 0.00 179.45 179.88 1fcl h GLN 32 N 0.63 1.04 -0.70 1.90 4.20 -0.97 0.14 115.11 121.36 1fcl h GLN 32 Ca 0.16 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1fcl h GLN 32 Cb 0.15 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1fcl h GLN 32 CO -0.02 0.69 0.23 -0.92 -0.67 0.00 0.00 178.83 178.15 1fcl h TYR 33 N 1.08 1.11 0.00 2.96 3.20 -0.85 -1.62 116.97 122.84 1fcl h TYR 33 Ca 0.47 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1fcl h TYR 33 Cb 0.34 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1fcl h TYR 33 CO -0.00 0.88 -0.21 0.82 -1.64 0.00 0.00 178.16 178.00 1fcl h ILE 34 N 1.02 0.89 -0.56 1.81 1.08 0.20 -2.52 117.51 119.42 1fcl h ILE 34 Ca 0.23 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1fcl h ILE 34 Cb 0.28 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 1fcl h ILE 34 CO -0.01 0.21 0.37 -1.13 -0.69 0.00 0.00 178.15 176.90 1fcl h ASN 35 N 0.00 0.63 0.41 1.72 -0.73 0.19 0.36 115.58 118.15 1fcl h ASN 35 Ca -0.00 -0.01 -0.16 0.00 1.87 0.00 0.00 56.30 57.99 1fcl h ASN 35 Cb 0.45 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1fcl h ASN 35 CO 0.03 0.45 -0.69 -0.78 -0.37 0.00 0.00 177.43 176.07 1fcl h ASP 36 N 0.74 0.29 1.00 1.15 3.58 -1.44 -3.16 116.42 118.59 1fcl h ASP 36 Ca 0.21 -0.19 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 1fcl h ASP 36 Cb -0.05 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1fcl h ASP 36 CO -0.05 0.89 -1.04 0.78 -2.88 0.00 0.00 179.24 176.94 1fcl h ASN 37 N 0.17 0.00 -2.08 2.28 4.21 -1.33 -3.48 115.58 115.36 1fcl h ASN 37 Ca -0.02 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.45 1fcl h ASN 37 Cb 1.23 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.45 1fcl h ASN 37 CO 0.11 0.88 -0.08 0.61 -1.29 0.00 0.00 177.43 177.66 1fcl n GLY 38 N 1.36 0.51 2.84 2.83 0.00 0.12 -4.99 105.19 107.86 1fcl n GLY 38 Ca -0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1fcl n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fcl s ILE 39 N -3.04 2.22 -0.18 -0.61 -1.09 -1.19 -5.01 121.20 112.31 1fcl s ILE 39 Ca 0.02 -3.31 -0.01 0.00 -2.23 0.00 0.00 60.65 55.12 1fcl s ILE 39 Cb -0.01 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 1fcl s ILE 39 CO 0.08 -0.90 -0.11 -1.81 -1.23 0.00 0.00 174.94 170.97 1fcl s ASP 40 N -0.38 3.98 0.00 3.58 1.01 -1.26 -4.75 116.67 118.84 1fcl s ASP 40 Ca 0.20 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.05 1fcl s ASP 40 Cb -0.19 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.10 1fcl s ASP 40 CO -0.05 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.00 1fcl n GLY 41 N 4.23 -0.14 3.05 0.21 0.00 -1.24 -4.68 105.19 106.62 1fcl n GLY 41 Ca -0.19 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 1.32 1.99 -0.26 1.61 2.02 -0.95 -4.93 118.70 119.51 1fcl s GLU 42 Ca 0.00 -0.50 -0.15 0.00 0.02 0.00 0.00 54.97 54.34 1fcl s GLU 42 Cb 0.00 -1.66 -0.12 0.00 0.10 0.00 0.00 34.13 32.45 1fcl s GLU 42 CO 0.00 -0.01 -0.29 0.91 0.02 0.00 0.00 175.26 175.89 1fcl n TRP 43 N 3.98 0.13 -1.67 1.61 7.02 -1.26 -1.43 117.44 125.82 1fcl n TRP 43 Ca -0.21 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 1fcl n TRP 43 Cb 0.52 -0.96 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 1fcl n TRP 43 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1fcl n THR 44 N -4.30 -5.32 -3.98 -0.99 -2.24 -1.26 -3.03 114.28 93.17 1fcl n THR 44 Ca -0.48 2.41 -0.27 0.00 -2.27 0.00 0.00 64.05 63.44 1fcl n THR 44 Cb 0.82 -3.24 -0.04 0.00 -2.10 0.00 0.00 70.33 65.77 1fcl n THR 44 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1fcl s TYR 45 N -2.19 3.39 -0.07 4.78 5.04 -1.26 -3.82 117.35 123.23 1fcl s TYR 45 Ca 0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1fcl s TYR 45 Cb 0.00 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.70 1fcl s TYR 45 CO 0.00 0.52 -0.04 0.16 -1.34 0.00 0.00 175.55 174.86 1fcl s ASP 46 N -3.11 1.44 0.00 4.32 1.47 -1.16 -5.01 116.67 114.63 1fcl s ASP 46 Ca 0.33 -0.15 0.29 0.00 1.18 0.00 0.00 52.55 54.20 1fcl s ASP 46 Cb -0.11 -0.54 1.57 0.00 -0.34 0.00 0.00 42.92 43.50 1fcl s ASP 46 CO 0.27 -0.11 2.03 -0.67 0.68 0.00 0.00 175.17 177.37 1fcl n ASP 47 N 4.58 0.00 -0.11 2.11 2.03 -1.26 -2.25 116.55 121.65 1fcl n ASP 47 Ca -0.16 -0.43 0.05 0.00 0.52 0.00 0.00 54.79 54.77 1fcl n ASP 47 Cb 0.50 -0.18 0.37 0.00 -0.72 0.00 0.00 41.12 41.09 1fcl n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fcl h ALA 48 N 3.54 1.67 0.00 -1.67 0.00 -1.96 -3.35 119.26 117.50 1fcl h ALA 48 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1fcl h ALA 48 Cb 0.17 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.62 1fcl h ALA 48 CO 0.00 0.26 -0.33 -2.37 0.00 0.00 0.00 179.25 176.81 1fcl n THR 49 N -4.46 0.00 -3.47 0.00 5.66 -1.24 -5.00 114.28 105.77 1fcl n THR 49 Ca 0.07 -0.08 -0.25 0.00 -3.05 0.00 0.00 64.05 60.74 1fcl n THR 49 Cb 0.13 0.50 0.01 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.04 -4.15 -2.81 1.09 5.02 -0.95 -4.75 118.16 111.65 1fcl n LYS 50 Ca -0.23 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.44 1fcl n LYS 50 Cb 0.72 -5.35 0.03 0.00 -0.02 0.00 0.00 35.03 30.40 1fcl n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fcl s THR 51 N -3.07 2.88 0.04 -0.18 2.01 -1.19 -2.86 115.64 113.27 1fcl s THR 51 Ca 0.46 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1fcl s THR 51 Cb -0.24 -3.03 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 1fcl s THR 51 CO 0.57 -0.02 0.03 0.79 -0.69 0.00 0.00 174.62 175.30 1fcl n TRP 52 N -2.14 -0.06 -3.57 4.92 7.02 0.31 -2.98 117.44 120.94 1fcl n TRP 52 Ca 0.07 -0.34 -0.06 0.00 -1.02 0.00 0.00 57.50 56.15 1fcl n TRP 52 Cb 0.59 0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.52 1fcl n TRP 52 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1fcl n THR 53 N -0.09 0.00 -2.71 -0.99 -1.04 -1.17 -2.34 114.28 105.94 1fcl n THR 53 Ca 0.00 -0.71 -0.02 0.00 -2.04 0.00 0.00 64.05 61.29 1fcl n THR 53 Cb 0.08 0.61 0.02 0.00 -1.82 0.00 0.00 70.33 69.22 1fcl n THR 53 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fcl s VAL 54 N -2.51 -0.24 -0.16 12.58 0.11 -1.09 -4.10 120.40 124.98 1fcl s VAL 54 Ca 0.11 -0.17 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 1fcl s VAL 54 Cb -0.02 0.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 1fcl s VAL 54 CO 0.08 0.00 0.55 -0.89 -3.33 0.00 0.00 175.10 171.51 1fcl s THR 55 N 1.27 5.10 -2.00 5.04 2.01 -0.51 -1.83 115.64 124.72 1fcl s THR 55 Ca 0.21 1.05 0.07 0.00 0.31 0.00 0.00 61.69 63.33 1fcl s THR 55 Cb 0.09 -3.88 0.21 0.00 0.01 0.00 0.00 72.50 68.93 1fcl s THR 55 CO -0.12 0.21 0.89 1.21 -0.69 0.00 0.00 174.62 176.13