#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 -2.24 4.28 5.66 -1.26 -4.85 114.28 115.88 1fcl n THR 2 Ca 0.00 -0.05 -0.37 0.00 -3.05 0.00 0.00 64.05 60.58 1fcl n THR 2 Cb 0.00 -1.54 -0.00 0.00 -1.55 0.00 0.00 70.33 67.24 1fcl n THR 2 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1fcl s PHE 3 N -1.16 2.80 0.03 1.09 0.08 -1.18 -4.72 117.98 114.91 1fcl s PHE 3 Ca 0.05 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.64 1fcl s PHE 3 Cb -0.00 -3.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.05 1fcl s PHE 3 CO 0.04 -1.58 -0.05 0.21 -0.10 0.00 0.00 175.22 173.73 1fcl s LYS 4 N -2.85 0.44 -0.10 0.44 2.20 -0.39 -2.63 119.74 116.85 1fcl s LYS 4 Ca 0.66 -0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 55.39 1fcl s LYS 4 Cb -0.28 -0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.03 1fcl s LYS 4 CO 0.33 -0.02 0.32 -1.17 -0.36 0.00 0.00 175.35 174.45 1fcl s LEU 5 N -1.72 0.79 -0.11 5.43 0.20 0.27 0.12 118.68 123.65 1fcl s LEU 5 Ca -0.10 0.54 0.00 0.00 0.69 0.00 0.00 54.13 55.26 1fcl s LEU 5 Cb -0.08 1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 46.80 1fcl s LEU 5 CO -0.02 -0.18 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.13 1fcl s ILE 6 N -0.13 3.28 -0.26 6.68 -1.09 -1.18 0.13 121.20 128.63 1fcl s ILE 6 Ca -0.03 -0.60 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 1fcl s ILE 6 Cb -0.03 -2.36 -0.00 0.00 -1.58 0.00 0.00 42.46 38.49 1fcl s ILE 6 CO 0.01 0.54 0.84 -0.63 -1.23 0.00 0.00 174.94 174.48 1fcl s ILE 7 N -0.02 4.80 -0.61 2.92 1.01 0.28 -2.89 121.20 126.69 1fcl s ILE 7 Ca -0.02 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.16 1fcl s ILE 7 Cb -0.14 -4.15 0.37 0.00 0.01 0.00 0.00 42.46 38.55 1fcl s ILE 7 CO 0.04 -0.15 1.25 0.59 0.00 0.00 0.00 174.94 176.67 1fcl n ASN 8 N 6.13 5.29 -4.88 3.58 4.13 -0.56 -3.34 115.26 125.61 1fcl n ASN 8 Ca 0.06 -3.72 -0.30 0.00 1.68 0.00 0.00 54.58 52.30 1fcl n ASN 8 Cb 0.48 -0.65 0.01 0.00 -1.54 0.00 0.00 39.78 38.07 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 -2.96 1.61 0.56 7.41 0.00 -0.54 -2.05 107.32 111.35 1fcl s GLY 9 Ca 0.48 -0.23 0.26 0.00 0.00 0.00 0.00 44.72 45.23 1fcl s GLY 9 CO -0.19 0.01 2.05 0.50 0.00 0.00 0.00 173.10 175.47 1fcl h LYS 10 N -0.17 0.00 0.00 2.90 1.57 -1.96 -3.34 116.57 115.57 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 -0.42 2.41 -0.57 0.00 0.00 179.45 181.49 1fcl n THR 11 N -4.06 0.00 -2.75 -0.16 -1.04 -1.26 -5.08 114.28 99.93 1fcl n THR 11 Ca 0.04 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 1fcl n THR 11 Cb 0.42 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.43 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 -4.34 3.89 0.00 -4.42 1.43 -1.25 -5.05 118.68 108.93 1fcl s LEU 12 Ca 0.00 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 1fcl s LEU 12 Cb 0.00 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.72 1fcl s LEU 12 CO 0.00 -0.41 0.51 0.29 0.23 0.00 0.00 176.35 176.97 1fcl n LYS 13 N -0.78 0.48 0.00 1.70 5.02 -1.26 -1.46 118.16 121.85 1fcl n LYS 13 Ca 0.07 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 1fcl n LYS 13 Cb 0.54 1.29 0.00 0.00 -0.02 0.00 0.00 35.03 36.84 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 -0.35 2.55 3.71 0.72 0.00 -1.21 -4.80 105.19 105.81 1fcl n GLY 14 Ca -0.03 -2.02 -0.23 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 -1.86 2.32 -0.03 1.61 -1.05 -1.26 1.00 118.70 119.42 1fcl s GLU 15 Ca 0.00 -1.57 -0.30 0.00 -0.15 0.00 0.00 54.97 52.95 1fcl s GLU 15 Cb 0.00 -2.14 0.07 0.00 -0.44 0.00 0.00 34.13 31.62 1fcl s GLU 15 CO 0.00 0.13 0.66 -0.08 0.95 0.00 0.00 175.26 176.92 1fcl s THR 16 N -2.43 0.00 0.07 1.83 -1.32 0.12 -4.93 115.64 108.97 1fcl s THR 16 Ca 0.37 -0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.83 1fcl s THR 16 Cb -0.02 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1fcl s THR 16 CO 0.22 -0.01 -0.05 0.42 -2.21 0.00 0.00 174.62 172.99 1fcl s THR 17 N -1.39 0.44 0.03 5.08 -4.23 -1.26 0.94 115.64 115.26 1fcl s THR 17 Ca -0.10 -1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 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 -0.85 0.06 -0.89 -0.54 0.00 0.00 174.62 172.49 1fcl s THR 18 N -3.34 0.13 -0.21 3.99 2.01 -1.08 -4.98 115.64 112.16 1fcl s THR 18 Ca 0.05 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1fcl s THR 18 Cb 0.04 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1fcl s THR 18 CO -0.06 -0.59 -0.01 -0.70 -0.69 0.00 0.00 174.62 172.56 1fcl s GLU 19 N -2.35 3.53 0.25 4.92 2.12 -1.26 -3.12 118.70 122.79 1fcl s GLU 19 Ca -0.07 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 54.62 1fcl s GLU 19 Cb -0.03 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.33 1fcl s GLU 19 CO -0.04 -0.07 0.47 0.00 -0.54 0.00 0.00 175.26 175.08 1fcl n ALA 20 N 4.46 -0.91 -0.23 6.30 0.00 -1.26 -5.00 120.51 123.87 1fcl n ALA 20 Ca -0.17 -0.89 -0.07 0.00 0.00 0.00 0.00 53.44 52.30 1fcl n ALA 20 Cb 0.51 0.72 0.07 0.00 0.00 0.00 0.00 19.45 20.75 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 1.65 1.26 -3.32 0.00 3.04 -1.98 -3.46 116.25 113.44 1fcl h VAL 21 Ca -0.21 -0.98 -0.06 0.00 -1.01 0.00 0.00 66.70 64.44 1fcl h VAL 21 Cb 0.80 0.59 -0.14 0.00 -2.01 0.00 0.00 31.29 30.53 1fcl h VAL 21 CO 0.27 0.37 -0.11 -1.81 -1.01 0.00 0.00 177.57 175.28 1fcl s ASP 22 N -6.50 -0.22 0.52 3.17 1.01 -1.26 -5.03 116.67 108.36 1fcl s ASP 22 Ca -0.12 -0.25 0.21 0.00 0.71 0.00 0.00 52.55 53.10 1fcl s ASP 22 Cb 0.15 0.45 1.36 0.00 1.01 0.00 0.00 42.92 45.88 1fcl s ASP 22 CO 0.84 -0.79 2.11 0.00 0.21 0.00 0.00 175.17 177.55 1fcl h ALA 23 N 2.59 1.67 -0.23 5.23 0.00 -1.98 -2.42 119.26 124.13 1fcl h ALA 23 Ca -0.33 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1fcl h ALA 23 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1fcl h ALA 23 CO 0.47 0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.91 1fcl h ALA 24 N 1.92 0.26 -0.06 0.00 0.00 -1.99 0.52 119.26 119.93 1fcl h ALA 24 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fcl h ALA 24 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1fcl h ALA 24 CO 0.01 -0.32 -0.01 1.15 0.00 0.00 0.00 179.25 180.08 1fcl h THR 25 N 0.21 1.28 0.83 0.00 2.02 -1.86 -3.14 112.91 112.26 1fcl h THR 25 Ca 0.09 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1fcl h THR 25 Cb 0.04 1.75 0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1fcl h THR 25 CO -0.08 0.24 -0.41 0.00 0.37 0.00 0.00 175.52 175.64 1fcl h ALA 26 N 0.68 -1.13 -1.47 6.16 0.00 -1.24 -2.79 119.26 119.47 1fcl h ALA 26 Ca 0.01 -0.25 0.49 0.00 0.00 0.00 0.00 54.91 55.16 1fcl h ALA 26 Cb 0.38 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1fcl h ALA 26 CO 0.00 -1.14 0.97 1.49 0.00 0.00 0.00 179.25 180.58 1fcl h GLU 27 N -1.13 0.02 -0.26 0.00 4.22 -0.01 0.98 114.58 118.40 1fcl h GLU 27 Ca -0.11 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.30 1fcl h GLU 27 Cb 0.87 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1fcl h GLU 27 CO 0.18 0.01 0.05 0.87 -2.18 0.00 0.00 179.01 177.95 1fcl h LYS 28 N 0.02 0.42 -0.43 1.92 1.57 -1.44 -0.56 116.57 118.07 1fcl h LYS 28 Ca 0.88 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 59.49 1fcl h LYS 28 Cb 2.94 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 35.18 1fcl h LYS 28 CO -0.38 0.53 0.01 0.28 -0.57 0.00 0.00 179.45 179.32 1fcl h VAL 29 N 0.24 1.22 -0.10 0.50 2.07 0.93 -1.76 116.25 119.35 1fcl h VAL 29 Ca 0.08 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1fcl h VAL 29 Cb 0.31 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1fcl h VAL 29 CO 0.00 0.31 -0.21 -0.07 0.02 0.00 0.00 177.57 177.62 1fcl h LEU 30 N 0.65 0.16 -0.43 2.57 -0.00 -0.57 -1.83 115.31 115.86 1fcl h LEU 30 Ca 0.13 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.94 1fcl h LEU 30 Cb 0.38 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 1fcl h LEU 30 CO 0.01 0.38 0.13 0.50 -0.00 0.00 0.00 178.44 179.46 1fcl h LYS 31 N 0.15 0.67 -1.00 1.13 3.11 -0.23 -1.82 116.57 118.58 1fcl h LYS 31 Ca 0.03 -0.15 0.09 0.00 -2.81 0.00 0.00 60.65 57.81 1fcl h LYS 31 Cb 0.47 -0.09 -0.08 0.00 -1.00 0.00 0.00 32.23 31.53 1fcl h LYS 31 CO 0.03 0.66 0.64 1.96 -2.81 0.00 0.00 179.45 179.93 1fcl h GLN 32 N 0.55 1.05 -0.82 1.90 4.20 -0.96 0.10 115.11 121.13 1fcl h GLN 32 Ca 0.14 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1fcl h GLN 32 Cb 0.28 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1fcl h GLN 32 CO -0.00 0.69 0.36 -0.92 -0.67 0.00 0.00 178.83 178.29 1fcl h TYR 33 N 1.08 1.22 0.00 2.96 3.20 -0.83 -1.47 116.97 123.13 1fcl h TYR 33 Ca 0.47 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 62.20 1fcl h TYR 33 Cb 0.34 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1fcl h TYR 33 CO -0.00 0.90 -0.29 0.82 -1.64 0.00 0.00 178.16 177.95 1fcl h ILE 34 N 1.19 1.03 -0.08 1.81 1.08 -0.09 -2.52 117.51 119.93 1fcl h ILE 34 Ca 0.28 -1.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 1fcl h ILE 34 Cb 0.17 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 1fcl h ILE 34 CO -0.03 0.29 0.06 -1.13 -0.69 0.00 0.00 178.15 176.65 1fcl h ASN 35 N 0.00 0.00 0.02 1.72 -1.24 0.19 0.22 115.58 116.48 1fcl h ASN 35 Ca -0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.90 1fcl h ASN 35 Cb 0.58 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.64 1fcl h ASN 35 CO 0.04 0.00 -0.41 0.44 -1.29 0.00 0.00 177.43 176.21 1fcl h ASP 36 N 0.00 0.33 0.63 1.15 3.32 -1.45 -3.27 116.42 117.12 1fcl h ASP 36 Ca 0.04 -0.81 -0.10 0.00 0.02 0.00 0.00 57.03 56.17 1fcl h ASP 36 Cb 0.16 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1fcl h ASP 36 CO -0.00 1.10 -0.50 0.78 -1.72 0.00 0.00 179.24 178.90 1fcl h ASN 37 N -0.40 0.00 -0.49 6.45 4.21 -1.48 -3.47 115.58 120.40 1fcl h ASN 37 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 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 0.08 0.50 0.00 0.61 -1.29 0.00 0.00 177.43 177.33 1fcl n GLY 38 N 0.09 0.70 2.73 2.83 0.00 0.73 -5.01 105.19 107.27 1fcl n GLY 38 Ca -0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.14 2.45 -4.07 -0.61 2.08 -1.18 -5.03 119.36 109.87 1fcl n ILE 39 Ca 0.00 -5.15 -0.33 0.00 0.56 0.00 0.00 62.75 57.83 1fcl n ILE 39 Cb 0.48 -2.17 -0.15 0.00 -0.75 0.00 0.00 39.64 37.05 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 -1.75 3.94 0.00 4.38 -4.77 -1.26 -4.69 116.67 112.52 1fcl s ASP 40 Ca 0.32 -1.03 0.00 0.00 -3.30 0.00 0.00 52.55 48.54 1fcl s ASP 40 Cb 0.05 -1.54 0.00 0.00 -1.09 0.00 0.00 42.92 40.33 1fcl s ASP 40 CO -0.07 -0.11 0.00 0.61 0.70 0.00 0.00 175.17 176.30 1fcl n GLY 41 N 4.54 -0.31 2.83 2.12 0.00 -1.14 -4.82 105.19 108.41 1fcl n GLY 41 Ca -0.17 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 1.02 0.40 1.61 2.02 -0.54 -4.92 118.70 118.29 1fcl s GLU 42 Ca 0.00 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 54.94 1fcl s GLU 42 Cb 0.00 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.90 1fcl s GLU 42 CO 0.00 -0.31 0.57 -1.58 0.02 0.00 0.00 175.26 173.95 1fcl s TRP 43 N 1.84 3.02 -0.14 1.61 0.52 -1.26 -1.85 118.94 122.68 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 -2.24 0.05 0.00 -1.15 0.00 0.00 33.47 30.00 1fcl s TRP 43 CO -0.07 -0.28 0.34 0.95 0.02 0.00 0.00 176.95 177.91 1fcl s THR 44 N -2.36 -0.03 0.42 2.01 -4.23 -1.23 -4.87 115.64 105.35 1fcl s THR 44 Ca 0.50 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1fcl s THR 44 Cb -0.10 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.20 1fcl s THR 44 CO 0.34 0.04 0.67 -0.47 -0.54 0.00 0.00 174.62 174.66 1fcl s TYR 45 N 1.25 3.46 -0.02 3.99 5.04 -1.26 -2.15 117.35 127.65 1fcl s TYR 45 Ca -0.09 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1fcl s TYR 45 Cb -0.09 -2.15 0.03 0.00 0.35 0.00 0.00 41.96 40.10 1fcl s TYR 45 CO -0.10 -0.15 0.01 -0.51 -1.34 0.00 0.00 175.55 173.47 1fcl s ASP 46 N -4.11 0.21 0.00 4.32 1.01 -0.76 -4.94 116.67 112.40 1fcl s ASP 46 Ca 0.45 0.01 0.25 0.00 0.71 0.00 0.00 52.55 53.96 1fcl s ASP 46 Cb -0.10 -0.12 1.32 0.00 1.01 0.00 0.00 42.92 45.03 1fcl s ASP 46 CO 0.40 -0.11 1.82 -0.67 0.21 0.00 0.00 175.17 176.82 1fcl n ASP 47 N 4.07 0.00 0.00 0.27 2.03 -1.26 -2.76 116.55 118.90 1fcl n ASP 47 Ca -0.26 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.73 1fcl n ASP 47 Cb 0.51 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1fcl n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fcl n ALA 48 N -1.19 -0.35 -2.57 -1.67 0.00 -1.26 -4.42 120.51 109.05 1fcl n ALA 48 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 1fcl n ALA 48 Cb 0.15 0.03 0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.70 1.54 -3.53 0.00 5.66 -1.26 -4.97 114.28 110.03 1fcl n THR 49 Ca 0.00 -3.15 -0.19 0.00 -3.05 0.00 0.00 64.05 57.66 1fcl n THR 49 Cb 0.00 0.61 0.07 0.00 -1.55 0.00 0.00 70.33 69.46 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 -0.57 -6.26 -2.69 1.09 5.02 -1.11 -4.54 118.16 109.09 1fcl n LYS 50 Ca 0.17 0.78 -0.22 0.00 -2.02 0.00 0.00 58.31 57.01 1fcl n LYS 50 Cb 0.86 -5.68 0.03 0.00 -0.02 0.00 0.00 35.03 30.23 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 -3.44 3.13 0.02 -0.18 2.01 -1.18 -1.26 115.64 114.73 1fcl s THR 51 Ca 0.07 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1fcl s THR 51 Cb -0.03 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 1fcl s THR 51 CO 0.75 -0.14 0.01 0.79 -0.69 0.00 0.00 174.62 175.35 1fcl n TRP 52 N -2.33 -0.04 -3.86 4.92 7.02 0.32 -1.83 117.44 121.64 1fcl n TRP 52 Ca 0.06 -0.15 -0.07 0.00 -1.02 0.00 0.00 57.50 56.31 1fcl n TRP 52 Cb 0.59 0.01 -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 -2.03 0.00 -0.37 -0.99 2.01 -0.91 -3.12 115.64 110.23 1fcl s THR 53 Ca 0.02 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 1fcl s THR 53 Cb 0.00 -2.10 0.19 0.00 0.01 0.00 0.00 72.50 70.60 1fcl s THR 53 CO 0.01 0.00 0.92 0.54 -0.69 0.00 0.00 174.62 175.40 1fcl s VAL 54 N -3.77 -0.49 -0.06 3.82 0.11 -1.14 -3.56 120.40 115.30 1fcl s VAL 54 Ca 0.12 -0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 1fcl s VAL 54 Cb -0.06 0.00 -0.05 0.00 -1.53 0.00 0.00 36.38 34.74 1fcl s VAL 54 CO 0.08 0.00 0.44 -0.89 -3.33 0.00 0.00 175.10 171.39 1fcl s THR 55 N 1.66 5.11 -2.00 5.04 2.01 -0.77 -1.49 115.64 125.19 1fcl s THR 55 Ca 0.18 0.88 0.02 0.00 0.31 0.00 0.00 61.69 63.08 1fcl s THR 55 Cb 0.03 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.82 1fcl s THR 55 CO -0.11 0.45 0.58 1.21 -0.69 0.00 0.00 174.62 176.06