#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fcl n THR 2 N 0.00 0.00 -1.74 1.09 -1.04 -1.26 -5.00 114.28 106.33 1fcl n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1fcl n THR 2 Cb 0.00 -1.36 -0.02 0.00 -1.82 0.00 0.00 70.33 67.13 1fcl n THR 2 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1fcl n PHE 3 N -0.09 2.84 -4.39 -1.42 3.72 -1.15 -4.87 117.46 112.11 1fcl n PHE 3 Ca 0.00 0.16 -0.24 0.00 -0.05 0.00 0.00 57.45 57.32 1fcl n PHE 3 Cb 0.00 -2.63 -0.11 0.00 -0.94 0.00 0.00 39.48 35.79 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 0.15 1.43 -0.01 -1.08 2.20 -0.85 -1.82 119.74 119.77 1fcl s LYS 4 Ca 0.68 -1.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.66 1fcl s LYS 4 Cb -0.49 -1.61 0.02 0.00 -1.51 0.00 0.00 37.83 34.24 1fcl s LYS 4 CO 0.42 0.33 0.26 -1.17 -0.36 0.00 0.00 175.35 174.83 1fcl s LEU 5 N -2.78 1.06 -0.08 5.43 0.20 0.16 0.12 118.68 122.79 1fcl s LEU 5 Ca 0.20 -0.01 0.03 0.00 0.69 0.00 0.00 54.13 55.04 1fcl s LEU 5 Cb -0.06 1.10 0.00 0.00 -0.43 0.00 0.00 46.19 46.80 1fcl s LEU 5 CO 0.09 -0.43 -0.19 -0.63 -0.29 0.00 0.00 176.35 174.90 1fcl s ILE 6 N -1.40 1.64 -0.28 6.68 -1.09 -1.19 -0.84 121.20 124.73 1fcl s ILE 6 Ca -0.14 -0.78 -0.26 0.00 -2.23 0.00 0.00 60.65 57.24 1fcl s ILE 6 Cb -0.06 -1.44 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 1fcl s ILE 6 CO 0.03 0.47 0.93 -0.63 -1.23 0.00 0.00 174.94 174.50 1fcl s ILE 7 N 0.44 4.70 -0.61 2.92 1.01 0.94 -2.89 121.20 127.71 1fcl s ILE 7 Ca -0.16 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.12 1fcl s ILE 7 Cb -0.17 -4.24 0.37 0.00 0.01 0.00 0.00 42.46 38.43 1fcl s ILE 7 CO 0.06 -0.26 1.31 0.59 0.00 0.00 0.00 174.94 176.64 1fcl n ASN 8 N 6.36 5.44 -4.89 3.58 4.13 -0.32 -3.54 115.26 126.02 1fcl n ASN 8 Ca 0.08 -3.73 -0.29 0.00 1.68 0.00 0.00 54.58 52.32 1fcl n ASN 8 Cb 0.47 -0.67 -0.01 0.00 -1.54 0.00 0.00 39.78 38.03 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 -2.85 1.67 0.06 7.41 0.00 -0.48 -2.22 107.32 110.91 1fcl s GLY 9 Ca 0.48 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.61 1fcl s GLY 9 CO -0.21 -0.14 1.40 0.50 0.00 0.00 0.00 173.10 174.65 1fcl h LYS 10 N 0.47 -0.71 -0.54 2.90 1.57 -1.96 -3.06 116.57 115.24 1fcl h LYS 10 Ca -0.47 0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 1fcl h LYS 10 Cb 1.20 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 1fcl h LYS 10 CO 0.62 -0.47 0.12 0.25 -0.57 0.00 0.00 179.45 179.40 1fcl n THR 11 N -4.63 2.70 -3.96 -0.16 -2.24 -1.26 -4.96 114.28 99.78 1fcl n THR 11 Ca -0.09 -1.81 -0.09 0.00 -2.27 0.00 0.00 64.05 59.79 1fcl n THR 11 Cb 0.34 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 1fcl n THR 11 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fcl s LEU 12 N -2.95 2.02 0.00 3.22 1.43 -1.16 -5.16 118.68 116.08 1fcl s LEU 12 Ca 0.50 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 1fcl s LEU 12 Cb 0.41 0.35 0.06 0.00 0.03 0.00 0.00 46.19 47.04 1fcl s LEU 12 CO 0.11 -0.40 0.87 0.29 0.23 0.00 0.00 176.35 177.45 1fcl n LYS 13 N 1.22 0.51 0.00 1.70 4.76 -1.26 -1.38 118.16 123.71 1fcl n LYS 13 Ca -0.22 -1.18 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 1fcl n LYS 13 Cb 0.57 1.62 0.00 0.00 -1.84 0.00 0.00 35.03 35.37 1fcl n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fcl n GLY 14 N -0.61 4.14 3.70 0.72 0.00 -1.23 -4.83 105.19 107.08 1fcl n GLY 14 Ca -0.01 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 1fcl n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fcl s GLU 15 N -3.03 2.58 0.02 1.61 -6.30 -1.26 -0.04 118.70 112.28 1fcl s GLU 15 Ca 0.00 -0.90 -0.16 0.00 -2.50 0.00 0.00 54.97 51.41 1fcl s GLU 15 Cb 0.00 -2.52 0.03 0.00 0.00 0.00 0.00 34.13 31.63 1fcl s GLU 15 CO 0.00 0.51 0.35 -0.08 0.02 0.00 0.00 175.26 176.06 1fcl s THR 16 N -1.47 0.06 0.05 -1.70 -1.32 -0.02 -4.98 115.64 106.27 1fcl s THR 16 Ca 0.27 -0.53 -0.02 0.00 -1.21 0.00 0.00 61.69 60.20 1fcl s THR 16 Cb -0.11 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1fcl s THR 16 CO 0.19 -0.29 0.00 0.42 -2.21 0.00 0.00 174.62 172.73 1fcl s THR 17 N -2.10 0.19 0.17 5.08 -4.23 -1.26 0.36 115.64 113.86 1fcl s THR 17 Ca -0.08 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1fcl s THR 17 Cb -0.02 -1.30 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1fcl s THR 17 CO -0.00 -0.87 0.21 -0.89 -0.54 0.00 0.00 174.62 172.53 1fcl s THR 18 N -3.52 0.05 -0.15 3.99 2.01 -0.75 -5.00 115.64 112.27 1fcl s THR 18 Ca 0.03 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.37 1fcl s THR 18 Cb 0.05 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1fcl s THR 18 CO -0.09 -0.24 -0.13 -0.70 -0.69 0.00 0.00 174.62 172.77 1fcl s GLU 19 N -4.04 2.22 0.37 4.92 -6.30 -1.26 -2.91 118.70 111.69 1fcl s GLU 19 Ca 0.25 -0.53 -0.10 0.00 -2.50 0.00 0.00 54.97 52.08 1fcl s GLU 19 Cb 0.05 -2.06 0.04 0.00 0.00 0.00 0.00 34.13 32.16 1fcl s GLU 19 CO 0.04 -0.24 0.68 0.00 0.02 0.00 0.00 175.26 175.76 1fcl n ALA 20 N 4.79 -1.29 -0.33 6.30 0.00 -1.26 -5.00 120.51 123.72 1fcl n ALA 20 Ca -0.16 -1.34 0.03 0.00 0.00 0.00 0.00 53.44 51.97 1fcl n ALA 20 Cb 0.50 1.07 0.21 0.00 0.00 0.00 0.00 19.45 21.23 1fcl n ALA 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1fcl h VAL 21 N 1.97 1.09 -3.24 0.00 -1.51 -1.99 -3.45 116.25 109.12 1fcl h VAL 21 Ca -0.31 -0.38 -0.05 0.00 -1.23 0.00 0.00 66.70 64.73 1fcl h VAL 21 Cb 1.19 -0.11 -0.13 0.00 -2.13 0.00 0.00 31.29 30.10 1fcl h VAL 21 CO 0.40 0.20 -0.03 -0.62 -1.23 0.00 0.00 177.57 176.29 1fcl s ASP 22 N -5.99 -0.30 0.55 4.19 2.15 -1.26 -5.02 116.67 110.98 1fcl s ASP 22 Ca -0.12 -0.19 0.24 0.00 0.43 0.00 0.00 52.55 52.91 1fcl s ASP 22 Cb 0.20 0.49 1.57 0.00 -0.30 0.00 0.00 42.92 44.87 1fcl s ASP 22 CO 0.81 -0.84 2.19 0.00 -0.17 0.00 0.00 175.17 177.16 1fcl h ALA 23 N 2.42 1.68 -0.28 3.66 0.00 -1.99 -2.18 119.26 122.58 1fcl h ALA 23 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1fcl h ALA 23 Cb 1.25 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1fcl h ALA 23 CO 0.45 0.02 0.18 0.00 0.00 0.00 0.00 179.25 179.90 1fcl h ALA 24 N 1.98 0.36 -0.07 0.00 0.00 -1.99 0.45 119.26 119.98 1fcl h ALA 24 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1fcl h ALA 24 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1fcl h ALA 24 CO 0.00 -0.18 -0.02 1.15 0.00 0.00 0.00 179.25 180.19 1fcl h THR 25 N 0.37 1.31 0.71 0.00 2.02 -1.82 -3.14 112.91 112.35 1fcl h THR 25 Ca 0.11 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1fcl h THR 25 Cb -0.03 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1fcl h THR 25 CO -0.03 0.27 -0.37 0.00 0.37 0.00 0.00 175.52 175.76 1fcl h ALA 26 N 0.65 -1.00 -1.42 6.16 0.00 -1.25 -2.68 119.26 119.71 1fcl h ALA 26 Ca 0.02 -0.21 0.45 0.00 0.00 0.00 0.00 54.91 55.16 1fcl h ALA 26 Cb 0.44 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1fcl h ALA 26 CO 0.01 -1.07 0.95 1.49 0.00 0.00 0.00 179.25 180.63 1fcl h GLU 27 N -0.99 0.07 -0.42 0.00 4.81 -0.17 0.95 114.58 118.83 1fcl h GLU 27 Ca -0.09 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1fcl h GLU 27 Cb 0.78 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1fcl h GLU 27 CO 0.13 0.05 0.14 0.87 -0.73 0.00 0.00 179.01 179.48 1fcl h LYS 28 N 0.08 0.64 -0.34 1.92 1.57 -1.42 0.19 116.57 119.21 1fcl h LYS 28 Ca 0.81 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 59.35 1fcl h LYS 28 Cb 2.73 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.93 1fcl h LYS 28 CO -0.30 0.62 -0.23 0.28 -0.57 0.00 0.00 179.45 179.25 1fcl h VAL 29 N 0.53 1.27 -0.17 0.50 2.07 0.84 -2.29 116.25 118.99 1fcl h VAL 29 Ca 0.14 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1fcl h VAL 29 Cb 0.24 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1fcl h VAL 29 CO -0.01 0.43 -0.18 -0.07 0.02 0.00 0.00 177.57 177.76 1fcl h LEU 30 N 0.58 0.28 -0.47 2.57 -0.00 -0.32 -1.93 115.31 116.03 1fcl h LEU 30 Ca 0.08 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1fcl h LEU 30 Cb 0.71 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 1fcl h LEU 30 CO 0.05 0.48 0.21 0.50 -0.00 0.00 0.00 178.44 179.69 1fcl h LYS 31 N 0.27 0.68 -0.99 1.13 3.11 -0.09 -1.39 116.57 119.29 1fcl h LYS 31 Ca 0.05 -0.11 0.10 0.00 -2.81 0.00 0.00 60.65 57.88 1fcl h LYS 31 Cb 0.48 -0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 31.52 1fcl h LYS 31 CO 0.03 0.59 0.62 1.96 -2.81 0.00 0.00 179.45 179.84 1fcl h GLN 32 N 0.61 1.01 -0.75 1.90 4.20 -0.97 0.20 115.11 121.31 1fcl h GLN 32 Ca 0.16 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1fcl h GLN 32 Cb 0.14 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1fcl h GLN 32 CO -0.02 0.67 0.25 -0.92 -0.67 0.00 0.00 178.83 178.14 1fcl h TYR 33 N 1.04 1.20 0.00 2.96 3.20 -0.85 -1.65 116.97 122.86 1fcl h TYR 33 Ca 0.47 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 62.17 1fcl h TYR 33 Cb 0.37 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1fcl h TYR 33 CO -0.01 0.93 -0.28 0.82 -1.64 0.00 0.00 178.16 177.98 1fcl h ILE 34 N 1.12 0.91 -0.15 1.81 1.08 0.21 -2.67 117.51 119.82 1fcl h ILE 34 Ca 0.25 -1.08 0.01 0.00 -0.39 0.00 0.00 64.86 63.64 1fcl h ILE 34 Cb 0.29 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1fcl h ILE 34 CO -0.01 0.28 0.10 -1.13 -0.69 0.00 0.00 178.15 176.69 1fcl h ASN 35 N 0.00 0.13 -0.22 1.72 -1.24 0.28 0.34 115.58 116.59 1fcl h ASN 35 Ca -0.00 -0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 1fcl h ASN 35 Cb 0.62 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1fcl h ASN 35 CO 0.04 0.09 -0.57 -0.78 -1.29 0.00 0.00 177.43 174.92 1fcl h ASP 36 N 0.15 0.92 1.09 1.15 1.82 -1.48 -3.18 116.42 116.90 1fcl h ASP 36 Ca 0.06 -0.51 -0.19 0.00 -0.39 0.00 0.00 57.03 56.00 1fcl h ASP 36 Cb 0.05 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.76 1fcl h ASP 36 CO -0.01 1.30 -0.92 0.78 -1.61 0.00 0.00 179.24 178.77 1fcl h ASN 37 N 0.63 0.00 -1.23 2.28 4.21 -1.43 -3.48 115.58 116.56 1fcl h ASN 37 Ca 0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1fcl h ASN 37 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1fcl h ASN 37 CO 0.12 0.86 -0.02 0.61 -1.29 0.00 0.00 177.43 177.71 1fcl n GLY 38 N 1.33 0.87 2.73 2.83 0.00 0.11 -5.02 105.19 108.05 1fcl n GLY 38 Ca -0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.45 1.22 -4.85 -0.61 2.08 -1.19 -5.05 119.36 108.51 1fcl n ILE 39 Ca -0.00 -4.67 -0.31 0.00 0.56 0.00 0.00 62.75 58.33 1fcl n ILE 39 Cb 0.50 -2.08 -0.17 0.00 -0.75 0.00 0.00 39.64 37.14 1fcl n ILE 39 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1fcl s ASP 40 N -1.37 2.92 0.00 4.38 1.47 -1.26 -4.74 116.67 118.08 1fcl s ASP 40 Ca 0.29 -0.54 0.00 0.00 1.18 0.00 0.00 52.55 53.47 1fcl s ASP 40 Cb 0.01 -1.34 0.00 0.00 -0.34 0.00 0.00 42.92 41.24 1fcl s ASP 40 CO -0.15 0.10 0.00 0.61 0.68 0.00 0.00 175.17 176.41 1fcl n GLY 41 N 3.85 -0.78 3.00 2.12 0.00 -1.05 -4.77 105.19 107.56 1fcl n GLY 41 Ca -0.20 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 2.14 -0.93 1.61 8.01 -1.11 -4.92 118.70 123.51 1fcl s GLU 42 Ca 0.00 -0.54 -0.11 0.00 0.01 0.00 0.00 54.97 54.32 1fcl s GLU 42 Cb 0.00 -2.06 0.24 0.00 -4.31 0.00 0.00 34.13 28.00 1fcl s GLU 42 CO 0.00 -0.26 0.88 -1.58 0.01 0.00 0.00 175.26 174.31 1fcl s TRP 43 N 1.51 3.94 0.16 1.61 0.52 -1.26 -2.73 118.94 122.70 1fcl s TRP 43 Ca 0.04 -2.31 -0.32 0.00 0.02 0.00 0.00 56.10 53.54 1fcl s TRP 43 Cb -0.13 -3.79 -0.10 0.00 -1.15 0.00 0.00 33.47 28.30 1fcl s TRP 43 CO -0.10 -0.96 1.63 0.95 0.02 0.00 0.00 176.95 178.49 1fcl s THR 44 N -0.41 2.51 0.31 2.01 -4.23 -1.26 -4.61 115.64 109.95 1fcl s THR 44 Ca 0.23 0.32 0.03 0.00 -1.18 0.00 0.00 61.69 61.09 1fcl s THR 44 Cb -0.10 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1fcl s THR 44 CO -0.09 0.02 0.47 -0.47 -0.54 0.00 0.00 174.62 174.01 1fcl s TYR 45 N 1.42 3.40 -0.24 3.99 5.04 -1.26 -3.00 117.35 126.69 1fcl s TYR 45 Ca 0.72 0.10 -0.09 0.00 -2.44 0.00 0.00 57.07 55.37 1fcl s TYR 45 Cb -0.45 -1.81 0.11 0.00 0.35 0.00 0.00 41.96 40.16 1fcl s TYR 45 CO 0.32 0.20 0.53 0.16 -1.34 0.00 0.00 175.55 175.42 1fcl s ASP 46 N -4.05 -0.68 0.33 4.32 1.47 -1.19 -5.02 116.67 111.85 1fcl s ASP 46 Ca 0.39 1.27 0.24 0.00 1.18 0.00 0.00 52.55 55.62 1fcl s ASP 46 Cb -0.09 1.75 0.42 0.00 -0.34 0.00 0.00 42.92 44.65 1fcl s ASP 46 CO 0.33 -0.23 1.56 -0.78 0.68 0.00 0.00 175.17 176.73 1fcl h ASP 47 N 8.01 0.00 -0.27 2.11 3.58 -1.96 -2.20 116.42 125.69 1fcl h ASP 47 Ca -0.18 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.33 1fcl h ASP 47 Cb 1.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1fcl h ASP 47 CO 0.12 0.01 0.27 0.00 -2.88 0.00 0.00 179.24 176.76 1fcl h ALA 48 N 2.17 1.97 0.00 -0.78 0.00 -1.97 -3.18 119.26 117.48 1fcl h ALA 48 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1fcl h ALA 48 Cb 0.91 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.51 1fcl h ALA 48 CO 0.00 -0.41 -0.55 -2.37 0.00 0.00 0.00 179.25 175.92 1fcl n THR 49 N -3.88 0.00 -2.70 0.00 5.66 -1.24 -5.00 114.28 107.12 1fcl n THR 49 Ca 0.04 -0.35 -0.07 0.00 -3.05 0.00 0.00 64.05 60.61 1fcl n THR 49 Cb 0.42 0.65 -0.01 0.00 -1.55 0.00 0.00 70.33 69.84 1fcl n THR 49 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1fcl n LYS 50 N 0.18 -2.43 -2.70 1.09 2.85 -0.84 -4.75 118.16 111.55 1fcl n LYS 50 Ca -0.14 0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 56.93 1fcl n LYS 50 Cb 0.85 -4.15 0.03 0.00 -0.65 0.00 0.00 35.03 31.11 1fcl n LYS 50 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1fcl s THR 51 N -2.06 3.08 0.06 0.58 2.01 -1.15 -2.01 115.64 116.15 1fcl s THR 51 Ca 0.15 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1fcl s THR 51 Cb -0.08 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1fcl s THR 51 CO 0.18 -0.12 0.03 0.79 -0.69 0.00 0.00 174.62 174.80 1fcl n TRP 52 N -2.31 -0.01 -3.91 4.92 7.02 0.33 -3.15 117.44 120.32 1fcl n TRP 52 Ca 0.06 -0.38 -0.10 0.00 -1.02 0.00 0.00 57.50 56.06 1fcl n TRP 52 Cb 0.59 0.01 -0.01 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 -1.86 0.00 -0.33 -0.99 2.01 -1.16 -3.15 115.64 110.16 1fcl s THR 53 Ca 0.04 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.75 1fcl s THR 53 Cb 0.00 -2.52 0.20 0.00 0.01 0.00 0.00 72.50 70.19 1fcl s THR 53 CO 0.03 0.00 1.07 0.54 -0.69 0.00 0.00 174.62 175.57 1fcl s VAL 54 N -3.13 -0.19 0.09 3.82 0.11 -1.14 -4.08 120.40 115.88 1fcl s VAL 54 Ca 0.19 -0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1fcl s VAL 54 Cb -0.03 0.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.76 1fcl s VAL 54 CO 0.12 0.00 0.37 -0.89 -3.33 0.00 0.00 175.10 171.37 1fcl s THR 55 N 1.65 5.16 -2.22 5.04 2.01 -1.11 -1.18 115.64 125.00 1fcl s THR 55 Ca 0.17 0.25 0.30 0.00 0.31 0.00 0.00 61.69 62.72 1fcl s THR 55 Cb 0.06 -3.62 0.75 0.00 0.01 0.00 0.00 72.50 69.71 1fcl s THR 55 CO -0.14 0.21 2.02 1.21 -0.69 0.00 0.00 174.62 177.23