#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 1.44 0.74 12.58 2.01 -1.26 -4.81 115.64 126.34 1fcl s THR 2 Ca 0.00 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1fcl s THR 2 Cb 0.00 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.22 1fcl s THR 2 CO 0.00 0.43 1.08 -0.36 -0.69 0.00 0.00 174.62 175.08 1fcl s PHE 3 N 0.98 2.98 0.05 4.92 0.08 -0.61 -4.87 117.98 121.52 1fcl s PHE 3 Ca -0.07 1.31 -0.05 0.00 0.12 0.00 0.00 56.93 58.23 1fcl s PHE 3 Cb -0.15 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1fcl s PHE 3 CO -0.01 -1.48 0.10 0.21 -0.10 0.00 0.00 175.22 173.94 1fcl s LYS 4 N -5.09 0.65 -0.22 0.44 2.20 -0.93 -2.30 119.74 114.50 1fcl s LYS 4 Ca 0.59 -0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 1fcl s LYS 4 Cb -0.14 0.25 0.06 0.00 -1.51 0.00 0.00 37.83 36.49 1fcl s LYS 4 CO 0.55 -0.17 0.55 -1.17 -0.36 0.00 0.00 175.35 174.75 1fcl s LEU 5 N -2.42 -0.37 -0.13 5.43 0.20 0.32 0.11 118.68 121.82 1fcl s LEU 5 Ca -0.01 1.17 -0.04 0.00 0.69 0.00 0.00 54.13 55.94 1fcl s LEU 5 Cb 0.02 1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 47.62 1fcl s LEU 5 CO -0.07 -0.21 0.03 -0.63 -0.29 0.00 0.00 176.35 175.19 1fcl s ILE 6 N 1.07 4.56 -0.34 6.68 -1.09 -1.17 -0.09 121.20 130.83 1fcl s ILE 6 Ca -0.06 -0.14 -0.24 0.00 -2.23 0.00 0.00 60.65 57.98 1fcl s ILE 6 Cb -0.06 -2.98 0.01 0.00 -1.58 0.00 0.00 42.46 37.85 1fcl s ILE 6 CO -0.10 0.55 0.83 -0.63 -1.23 0.00 0.00 174.94 174.36 1fcl s ILE 7 N -0.39 4.71 -0.65 2.92 1.01 0.28 -2.88 121.20 126.21 1fcl s ILE 7 Ca 0.08 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.87 1fcl s ILE 7 Cb -0.12 -4.22 0.38 0.00 0.01 0.00 0.00 42.46 38.51 1fcl s ILE 7 CO 0.02 -0.38 1.47 0.59 0.00 0.00 0.00 174.94 176.64 1fcl n ASN 8 N 6.43 5.89 -4.85 3.58 4.13 -0.70 -3.12 115.26 126.62 1fcl n ASN 8 Ca 0.05 -3.76 -0.32 0.00 1.68 0.00 0.00 54.58 52.23 1fcl n ASN 8 Cb 0.48 -0.74 -0.03 0.00 -1.54 0.00 0.00 39.78 37.95 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 -2.50 1.99 0.55 7.41 0.00 -0.22 -2.02 107.32 112.53 1fcl s GLY 9 Ca 0.49 0.14 0.26 0.00 0.00 0.00 0.00 44.72 45.60 1fcl s GLY 9 CO -0.26 0.41 2.03 0.50 0.00 0.00 0.00 173.10 175.78 1fcl h LYS 10 N 0.69 0.00 0.00 2.90 1.57 -1.96 -3.33 116.57 116.44 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 0.61 0.00 -0.56 2.41 -0.57 0.00 0.00 179.45 181.34 1fcl n THR 11 N -4.18 0.00 -3.16 -0.16 -1.04 -1.26 -5.05 114.28 99.43 1fcl n THR 11 Ca 0.06 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.68 1fcl n THR 11 Cb 0.48 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.50 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 -4.41 4.50 0.00 -4.42 1.43 -1.25 -5.06 118.68 109.47 1fcl s LEU 12 Ca 0.00 1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1fcl s LEU 12 Cb 0.00 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.20 1fcl s LEU 12 CO 0.00 0.18 0.27 0.29 0.23 0.00 0.00 176.35 177.32 1fcl n LYS 13 N 2.09 0.39 0.00 1.70 5.02 -1.26 -1.06 118.16 125.04 1fcl n LYS 13 Ca -0.07 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 1fcl n LYS 13 Cb 0.50 1.30 0.00 0.00 -0.02 0.00 0.00 35.03 36.81 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 -0.27 0.88 3.42 0.72 0.00 -1.18 -4.81 105.19 103.95 1fcl n GLY 14 Ca -0.01 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.11 1.54 -0.09 1.61 -1.05 -1.26 0.10 118.70 118.44 1fcl s GLU 15 Ca 0.00 -1.78 -0.30 0.00 -0.15 0.00 0.00 54.97 52.74 1fcl s GLU 15 Cb 0.00 -1.10 0.08 0.00 -0.44 0.00 0.00 34.13 32.66 1fcl s GLU 15 CO 0.00 0.02 0.73 -0.08 0.95 0.00 0.00 175.26 176.88 1fcl s THR 16 N -3.05 0.00 0.10 1.83 -1.32 0.88 -4.92 115.64 109.15 1fcl s THR 16 Ca 0.30 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.80 1fcl s THR 16 Cb 0.04 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1fcl s THR 16 CO 0.12 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.87 1fcl s THR 17 N -1.00 0.81 0.07 5.08 -4.23 -1.26 0.12 115.64 115.23 1fcl s THR 17 Ca -0.09 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1fcl s THR 17 Cb -0.01 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 1fcl s THR 17 CO 0.08 -0.73 0.06 -0.89 -0.54 0.00 0.00 174.62 172.60 1fcl s THR 18 N -3.07 0.19 -0.21 3.99 2.01 -0.97 -4.94 115.64 112.63 1fcl s THR 18 Ca 0.09 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 60.54 1fcl s THR 18 Cb 0.01 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 71.09 1fcl s THR 18 CO -0.02 -0.84 -0.15 -0.70 -0.69 0.00 0.00 174.62 172.22 1fcl s GLU 19 N -3.90 2.83 0.27 4.92 2.12 -1.26 -1.57 118.70 122.11 1fcl s GLU 19 Ca 0.07 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.42 1fcl s GLU 19 Cb 0.07 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.74 1fcl s GLU 19 CO -0.10 -0.31 0.40 0.00 -0.54 0.00 0.00 175.26 174.71 1fcl n ALA 20 N 4.60 -0.40 -0.25 6.30 0.00 -1.26 -5.01 120.51 124.48 1fcl n ALA 20 Ca -0.19 -1.20 -0.02 0.00 0.00 0.00 0.00 53.44 52.04 1fcl n ALA 20 Cb 0.48 0.96 0.17 0.00 0.00 0.00 0.00 19.45 21.06 1fcl n ALA 20 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1fcl h VAL 21 N 1.77 1.23 -3.50 0.00 3.04 -1.98 -3.45 116.25 113.35 1fcl h VAL 21 Ca -0.21 -0.56 -0.06 0.00 -1.01 0.00 0.00 66.70 64.86 1fcl h VAL 21 Cb 0.91 0.17 -0.13 0.00 -2.01 0.00 0.00 31.29 30.23 1fcl h VAL 21 CO 0.29 0.25 -0.14 -1.81 -1.01 0.00 0.00 177.57 175.15 1fcl s ASP 22 N -6.35 -0.15 0.38 3.17 1.01 -1.26 -5.04 116.67 108.43 1fcl s ASP 22 Ca -0.11 -0.45 0.05 0.00 0.71 0.00 0.00 52.55 52.75 1fcl s ASP 22 Cb 0.17 0.46 0.74 0.00 1.01 0.00 0.00 42.92 45.29 1fcl s ASP 22 CO 0.81 -0.86 1.99 0.00 0.21 0.00 0.00 175.17 177.32 1fcl h ALA 23 N 2.43 1.57 -0.45 5.23 0.00 -1.98 -2.50 119.26 123.57 1fcl h ALA 23 Ca -0.33 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1fcl h ALA 23 Cb 1.24 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1fcl h ALA 23 CO 0.48 0.35 0.17 0.00 0.00 0.00 0.00 179.25 180.25 1fcl h ALA 24 N 1.64 0.54 -0.37 0.00 0.00 -1.99 0.53 119.26 119.61 1fcl h ALA 24 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1fcl h ALA 24 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1fcl h ALA 24 CO -0.02 -0.21 0.12 1.15 0.00 0.00 0.00 179.25 180.28 1fcl h THR 25 N 0.35 1.21 0.91 0.00 2.02 -1.87 -3.15 112.91 112.38 1fcl h THR 25 Ca 0.21 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1fcl h THR 25 Cb 0.19 0.96 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1fcl h THR 25 CO -0.20 0.24 -0.44 0.00 0.37 0.00 0.00 175.52 175.49 1fcl h ALA 26 N 0.96 -1.32 -1.10 6.16 0.00 -1.05 -2.76 119.26 120.15 1fcl h ALA 26 Ca 0.12 -0.27 0.32 0.00 0.00 0.00 0.00 54.91 55.08 1fcl h ALA 26 Cb 0.25 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1fcl h ALA 26 CO -0.00 -1.23 1.04 1.05 0.00 0.00 0.00 179.25 180.10 1fcl h GLU 27 N -1.22 0.00 -0.28 0.00 4.11 -0.95 0.89 114.58 117.13 1fcl h GLU 27 Ca -0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 1fcl h GLU 27 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1fcl h GLU 27 CO 0.20 0.00 -0.19 0.87 0.07 0.00 0.00 179.01 179.96 1fcl h LYS 28 N 0.00 0.63 -0.22 1.06 1.57 -1.44 0.61 116.57 118.77 1fcl h LYS 28 Ca 0.52 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1fcl h LYS 28 Cb 2.59 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.88 1fcl h LYS 28 CO -0.01 0.89 -0.44 0.28 -0.57 0.00 0.00 179.45 179.60 1fcl h VAL 29 N 0.37 1.31 -0.17 0.50 2.07 0.74 -2.57 116.25 118.50 1fcl h VAL 29 Ca 0.06 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 1fcl h VAL 29 Cb 0.73 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1fcl h VAL 29 CO 0.05 0.51 -0.22 -0.07 0.02 0.00 0.00 177.57 177.86 1fcl h LEU 30 N 0.44 0.29 -0.52 2.57 -0.00 -0.85 -1.97 115.31 115.28 1fcl h LEU 30 Ca 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1fcl h LEU 30 Cb 0.95 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.50 1fcl h LEU 30 CO 0.08 0.52 0.29 0.50 -0.00 0.00 0.00 178.44 179.83 1fcl h LYS 31 N 0.27 0.72 -0.98 1.13 3.11 -0.49 -0.24 116.57 120.10 1fcl h LYS 31 Ca 0.05 -0.08 0.10 0.00 -2.81 0.00 0.00 60.65 57.91 1fcl h LYS 31 Cb 0.54 -0.14 -0.08 0.00 -1.00 0.00 0.00 32.23 31.56 1fcl h LYS 31 CO 0.04 0.56 0.62 1.96 -2.81 0.00 0.00 179.45 179.82 1fcl h GLN 32 N 0.69 0.97 -0.49 1.90 4.20 -1.06 0.49 115.11 121.81 1fcl h GLN 32 Ca 0.18 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1fcl h GLN 32 Cb 0.05 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1fcl h GLN 32 CO -0.03 0.64 0.01 -0.92 -0.67 0.00 0.00 178.83 177.86 1fcl h TYR 33 N 1.00 0.93 -0.01 2.96 3.20 -0.84 -2.16 116.97 122.06 1fcl h TYR 33 Ca 0.46 -0.16 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 1fcl h TYR 33 Cb 0.41 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1fcl h TYR 33 CO -0.00 0.88 -0.21 0.82 -1.64 0.00 0.00 178.16 178.01 1fcl h ILE 34 N 0.72 1.16 -0.04 1.81 1.08 0.87 -2.01 117.51 121.09 1fcl h ILE 34 Ca 0.14 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1fcl h ILE 34 Cb 0.50 1.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 1fcl h ILE 34 CO 0.02 0.21 0.04 -1.13 -0.69 0.00 0.00 178.15 176.60 1fcl h ASN 35 N 0.01 0.00 0.00 1.72 -1.24 0.53 0.76 115.58 117.37 1fcl h ASN 35 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1fcl h ASN 35 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1fcl h ASN 35 CO 0.03 0.00 -0.00 0.44 -1.29 0.00 0.00 177.43 176.61 1fcl h ASP 36 N 0.00 -0.01 -0.05 1.15 5.19 -1.34 -3.31 116.42 118.06 1fcl h ASP 36 Ca 0.02 -0.86 -0.04 0.00 -0.62 0.00 0.00 57.03 55.54 1fcl h ASP 36 Cb 0.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1fcl h ASP 36 CO -0.00 0.90 -0.05 0.78 -3.12 0.00 0.00 179.24 177.75 1fcl h ASN 37 N -0.96 0.25 -0.06 6.45 4.21 -1.45 -3.46 115.58 120.55 1fcl h ASN 37 Ca -0.00 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1fcl h ASN 37 Cb 0.86 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 1fcl h ASN 37 CO 0.00 0.34 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 1fcl n GLY 38 N -1.03 0.85 2.73 2.83 0.00 0.24 -5.00 105.19 105.79 1fcl n GLY 38 Ca -0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.02 2.68 -3.98 -0.61 2.08 -1.18 -5.00 119.36 110.33 1fcl n ILE 39 Ca 0.00 -5.21 -0.31 0.00 0.56 0.00 0.00 62.75 57.78 1fcl n ILE 39 Cb 0.36 -2.17 -0.14 0.00 -0.75 0.00 0.00 39.64 36.93 1fcl n ILE 39 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1fcl s ASP 40 N -1.75 4.75 0.00 4.38 1.01 -1.26 -4.73 116.67 119.07 1fcl s ASP 40 Ca 0.33 -2.29 0.00 0.00 0.71 0.00 0.00 52.55 51.30 1fcl s ASP 40 Cb 0.05 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.33 1fcl s ASP 40 CO -0.06 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1fcl n GLY 41 N 4.09 0.36 2.90 0.21 0.00 -1.14 -4.90 105.19 106.70 1fcl n GLY 41 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 1.38 0.36 1.61 2.02 0.34 -4.92 118.70 119.49 1fcl s GLU 42 Ca 0.00 -0.21 0.05 0.00 0.02 0.00 0.00 54.97 54.83 1fcl s GLU 42 Cb 0.00 -1.44 -0.01 0.00 0.10 0.00 0.00 34.13 32.78 1fcl s GLU 42 CO 0.00 -0.23 0.52 -1.58 0.02 0.00 0.00 175.26 173.98 1fcl s TRP 43 N 1.61 3.15 -0.14 1.61 0.52 -1.26 -1.39 118.94 123.03 1fcl s TRP 43 Ca 0.02 -0.11 -0.08 0.00 0.02 0.00 0.00 56.10 55.96 1fcl s TRP 43 Cb -0.13 -2.06 0.05 0.00 -1.15 0.00 0.00 33.47 30.18 1fcl s TRP 43 CO -0.06 -0.08 0.34 0.95 0.02 0.00 0.00 176.95 178.11 1fcl s THR 44 N -2.26 -0.03 0.36 2.01 -4.23 -1.24 -4.89 115.64 105.36 1fcl s THR 44 Ca 0.45 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1fcl s THR 44 Cb -0.10 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1fcl s THR 44 CO 0.33 0.05 0.56 -0.47 -0.54 0.00 0.00 174.62 174.54 1fcl s TYR 45 N 1.28 3.45 -0.03 3.99 5.04 -1.26 -2.01 117.35 127.80 1fcl s TYR 45 Ca -0.09 0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.83 1fcl s TYR 45 Cb -0.09 -1.94 0.03 0.00 0.35 0.00 0.00 41.96 40.31 1fcl s TYR 45 CO -0.10 0.06 0.04 -0.51 -1.34 0.00 0.00 175.55 173.69 1fcl s ASP 46 N -4.06 0.50 0.00 4.32 1.01 -0.83 -4.97 116.67 112.63 1fcl s ASP 46 Ca 0.41 0.04 0.19 0.00 0.71 0.00 0.00 52.55 53.90 1fcl s ASP 46 Cb -0.10 -0.12 0.91 0.00 1.01 0.00 0.00 42.92 44.62 1fcl s ASP 46 CO 0.36 -0.17 1.59 -0.67 0.21 0.00 0.00 175.17 176.49 1fcl n ASP 47 N 4.58 0.00 0.00 0.27 -0.08 -1.26 -2.47 116.55 117.59 1fcl n ASP 47 Ca -0.19 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1fcl n ASP 47 Cb 0.50 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1fcl n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fcl n ALA 48 N -1.35 -0.35 -2.33 -1.67 0.00 -1.26 -4.26 120.51 109.29 1fcl n ALA 48 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1fcl n ALA 48 Cb 0.17 0.12 0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.13 1.35 -3.63 0.00 5.66 -1.26 -4.98 114.28 109.30 1fcl n THR 49 Ca 0.00 -2.71 -0.20 0.00 -3.05 0.00 0.00 64.05 58.09 1fcl n THR 49 Cb 0.00 0.40 0.05 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.41 -5.50 -3.07 1.09 5.02 -1.03 -4.69 118.16 109.58 1fcl n LYS 50 Ca 0.17 0.69 -0.19 0.00 -2.02 0.00 0.00 58.31 56.96 1fcl n LYS 50 Cb 0.91 -5.41 0.01 0.00 -0.02 0.00 0.00 35.03 30.53 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 -3.56 3.29 0.02 -0.18 2.01 -1.19 -2.18 115.64 113.86 1fcl s THR 51 Ca 0.04 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1fcl s THR 51 Cb -0.02 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 1fcl s THR 51 CO 0.79 -0.06 0.01 0.79 -0.69 0.00 0.00 174.62 175.46 1fcl n TRP 52 N -1.89 -0.02 -3.89 4.92 7.02 0.31 -1.97 117.44 121.91 1fcl n TRP 52 Ca 0.05 -0.17 -0.08 0.00 -1.02 0.00 0.00 57.50 56.28 1fcl n TRP 52 Cb 0.59 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 -1.84 0.00 -0.39 -0.99 2.01 -0.85 -3.05 115.64 110.54 1fcl s THR 53 Ca 0.02 -1.13 -0.03 0.00 0.31 0.00 0.00 61.69 60.86 1fcl s THR 53 Cb 0.00 -2.30 0.20 0.00 0.01 0.00 0.00 72.50 70.42 1fcl s THR 53 CO 0.01 0.00 0.97 0.54 -0.69 0.00 0.00 174.62 175.46 1fcl s VAL 54 N -3.51 -0.44 -0.01 3.82 0.11 -1.14 -3.60 120.40 115.64 1fcl s VAL 54 Ca 0.16 -0.34 -0.19 0.00 -2.93 0.00 0.00 61.98 58.67 1fcl s VAL 54 Cb -0.04 0.00 -0.05 0.00 -1.53 0.00 0.00 36.38 34.75 1fcl s VAL 54 CO 0.09 0.00 0.55 -0.89 -3.33 0.00 0.00 175.10 171.53 1fcl s THR 55 N 1.17 4.94 -2.00 5.04 2.01 -0.49 -1.73 115.64 124.58 1fcl s THR 55 Ca 0.23 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1fcl s THR 55 Cb 0.07 -3.88 0.17 0.00 0.01 0.00 0.00 72.50 68.87 1fcl s THR 55 CO -0.10 0.44 0.82 1.21 -0.69 0.00 0.00 174.62 176.31