#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oed s GLN 2 N 0.00 4.26 0.12 0.03 1.11 -1.26 -1.92 119.66 122.00 2oed s GLN 2 Ca 0.00 0.53 0.06 0.00 0.01 0.00 0.00 55.36 55.96 2oed s GLN 2 Cb 0.00 -3.52 -0.04 0.00 -1.01 0.00 0.00 33.01 28.44 2oed s GLN 2 CO 0.00 -0.07 -0.03 0.71 0.01 0.00 0.00 175.29 175.91 2oed s TYR 3 N 1.34 2.87 0.06 0.91 1.51 0.27 -4.94 117.35 119.38 2oed s TYR 3 Ca 0.27 -0.10 0.10 0.00 -1.01 0.00 0.00 57.07 56.33 2oed s TYR 3 Cb -0.16 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2oed s TYR 3 CO 0.11 0.47 -0.26 0.21 -1.11 0.00 0.00 175.55 174.97 2oed s LYS 4 N -2.45 1.73 -0.13 -0.62 2.20 -0.85 -1.46 119.74 118.16 2oed s LYS 4 Ca 0.25 -1.16 0.02 0.00 -0.36 0.00 0.00 55.97 54.73 2oed s LYS 4 Cb -0.11 -1.98 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 2oed s LYS 4 CO 0.17 0.50 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.28 2oed s LEU 5 N -1.44 2.04 -0.23 5.43 2.96 0.09 -0.90 118.68 126.63 2oed s LEU 5 Ca 0.12 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2oed s LEU 5 Cb -0.10 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2oed s LEU 5 CO 0.03 0.08 0.04 -0.69 -1.32 0.00 0.00 176.35 174.49 2oed s VAL 6 N 0.80 4.15 -0.27 1.68 1.01 -0.31 -1.19 120.40 126.27 2oed s VAL 6 Ca -0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2oed s VAL 6 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2oed s VAL 6 CO -0.01 0.37 0.04 -0.63 0.00 0.00 0.00 175.10 174.87 2oed s ILE 7 N 1.43 3.72 -0.80 2.22 1.01 -0.02 -1.64 121.20 127.12 2oed s ILE 7 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2oed s ILE 7 Cb -0.15 -2.88 0.27 0.00 0.01 0.00 0.00 42.46 39.71 2oed s ILE 7 CO 0.02 0.16 1.00 0.59 0.00 0.00 0.00 174.94 176.71 2oed n ASN 8 N 4.83 4.69 -4.91 3.58 5.03 0.16 -1.58 115.26 127.07 2oed n ASN 8 Ca -0.15 -3.42 -0.23 0.00 0.87 0.00 0.00 54.58 51.64 2oed n ASN 8 Cb 0.48 -0.89 0.06 0.00 -1.02 0.00 0.00 39.78 38.41 2oed n ASN 8 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2oed s GLY 9 N -2.14 1.77 0.17 7.41 0.00 -0.30 -2.12 107.32 112.13 2oed s GLY 9 Ca 0.36 -1.24 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 2oed s GLY 9 CO 0.02 -0.88 1.69 0.50 0.00 0.00 0.00 173.10 174.43 2oed h LYS 10 N -0.25 0.96 0.00 2.90 1.57 -1.97 -3.37 116.57 116.41 2oed h LYS 10 Ca -0.42 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.12 2oed h LYS 10 Cb 1.30 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2oed h LYS 10 CO 0.53 0.88 -1.04 2.41 -0.57 0.00 0.00 179.45 181.66 2oed n THR 11 N -4.35 0.04 -4.21 -0.16 -1.04 -1.26 -5.00 114.28 98.29 2oed n THR 11 Ca 0.03 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2oed n THR 11 Cb 0.24 -0.98 -0.13 0.00 -1.82 0.00 0.00 70.33 67.64 2oed n THR 11 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2oed s LEU 12 N -4.05 3.17 -0.00 -4.42 2.96 -1.26 -5.10 118.68 109.97 2oed s LEU 12 Ca -0.00 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2oed s LEU 12 Cb 0.00 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.91 2oed s LEU 12 CO 0.03 0.10 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.60 2oed s LYS 13 N 0.80 0.13 0.00 1.98 1.02 -1.26 -1.14 119.74 121.27 2oed s LYS 13 Ca -0.01 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.95 2oed s LYS 13 Cb -0.14 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 2oed s LYS 13 CO 0.02 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2oed n GLY 14 N 3.20 -0.50 3.15 -3.33 0.00 -0.61 -5.00 105.19 102.09 2oed n GLY 14 Ca -0.14 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2oed n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oed s GLU 15 N -1.92 0.61 0.24 1.61 2.02 -1.26 -0.84 118.70 119.16 2oed s GLU 15 Ca 0.00 -0.60 -0.09 0.00 0.02 0.00 0.00 54.97 54.30 2oed s GLU 15 Cb 0.00 0.25 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 2oed s GLU 15 CO 0.00 -0.16 0.39 -0.08 0.02 0.00 0.00 175.26 175.42 2oed s THR 16 N -2.26 0.00 0.13 3.63 -1.32 -0.34 -5.00 115.64 110.49 2oed s THR 16 Ca -0.08 -1.57 -0.00 0.00 -1.21 0.00 0.00 61.69 58.83 2oed s THR 16 Cb -0.03 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 2oed s THR 16 CO -0.02 0.00 0.03 0.42 -2.21 0.00 0.00 174.62 172.83 2oed s THR 17 N -3.99 0.30 0.03 5.08 -4.23 -1.26 -0.73 115.64 110.85 2oed s THR 17 Ca 0.27 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 2oed s THR 17 Cb 0.01 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.89 2oed s THR 17 CO 0.11 -0.54 0.41 0.28 -0.54 0.00 0.00 174.62 174.34 2oed s THR 18 N -3.90 0.05 -0.11 3.99 -1.32 -0.53 -4.98 115.64 108.84 2oed s THR 18 Ca 0.22 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.24 2oed s THR 18 Cb 0.07 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2oed s THR 18 CO 0.01 -0.24 -0.02 -0.54 -2.21 0.00 0.00 174.62 171.62 2oed s LYS 19 N -2.28 3.22 0.12 7.08 -0.14 -1.26 -0.56 119.74 125.92 2oed s LYS 19 Ca -0.07 -0.46 -0.16 0.00 -1.36 0.00 0.00 55.97 53.92 2oed s LYS 19 Cb -0.01 -2.82 0.04 0.00 -1.68 0.00 0.00 37.83 33.35 2oed s LYS 19 CO -0.01 0.53 0.41 0.00 -0.76 0.00 0.00 175.35 175.52 2oed s ALA 20 N -0.41 -0.96 -0.08 5.17 0.00 -0.81 -4.96 121.76 119.72 2oed s ALA 20 Ca 0.07 0.01 0.19 0.00 0.00 0.00 0.00 51.96 52.23 2oed s ALA 20 Cb -0.12 0.66 0.41 0.00 0.00 0.00 0.00 23.12 24.06 2oed s ALA 20 CO 0.02 -0.62 1.60 -0.39 0.00 0.00 0.00 175.76 176.37 2oed h VAL 21 N 2.43 0.66 -3.63 0.00 -1.51 -1.97 -1.88 116.25 110.35 2oed h VAL 21 Ca -0.34 -1.68 -0.06 0.00 -1.23 0.00 0.00 66.70 63.39 2oed h VAL 21 Cb 1.25 2.13 -0.10 0.00 -2.13 0.00 0.00 31.29 32.45 2oed h VAL 21 CO 0.46 0.34 -0.13 1.51 -1.23 0.00 0.00 177.57 178.52 2oed s ASP 22 N -6.34 -0.10 0.26 4.19 1.47 -1.26 -4.77 116.67 110.12 2oed s ASP 22 Ca 0.03 -0.84 -0.00 0.00 1.18 0.00 0.00 52.55 52.92 2oed s ASP 22 Cb 0.08 0.56 0.35 0.00 -0.34 0.00 0.00 42.92 43.57 2oed s ASP 22 CO 0.70 -1.08 1.72 0.00 0.68 0.00 0.00 175.17 177.19 2oed h ALA 23 N 2.30 1.07 -0.29 2.11 0.00 -1.99 -2.58 119.26 119.87 2oed h ALA 23 Ca -0.28 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 2oed h ALA 23 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2oed h ALA 23 CO 0.38 0.57 -0.21 1.05 0.00 0.00 0.00 179.25 181.04 2oed h GLU 24 N 0.58 0.53 -0.42 0.00 4.11 -1.99 1.00 114.58 118.39 2oed h GLU 24 Ca 0.10 -0.19 -0.14 0.00 0.07 0.00 0.00 59.36 59.20 2oed h GLU 24 Cb 0.59 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2oed h GLU 24 CO 0.04 0.71 -0.28 1.15 0.07 0.00 0.00 179.01 180.70 2oed h THR 25 N 0.48 1.27 -0.55 -1.06 2.02 -1.95 -2.13 112.91 111.00 2oed h THR 25 Ca 0.08 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.72 2oed h THR 25 Cb 0.62 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2oed h THR 25 CO 0.04 0.49 -0.02 0.00 0.37 0.00 0.00 175.52 176.40 2oed h ALA 26 N 0.90 0.74 -0.50 6.16 0.00 -1.08 -2.50 119.26 122.97 2oed h ALA 26 Ca 0.09 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2oed h ALA 26 Cb 0.85 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2oed h ALA 26 CO 0.08 0.58 0.28 1.49 0.00 0.00 0.00 179.25 181.68 2oed h GLU 27 N 0.86 0.54 -0.71 0.00 4.81 -0.58 -0.02 114.58 119.48 2oed h GLU 27 Ca 0.15 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2oed h GLU 27 Cb 0.57 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2oed h GLU 27 CO 0.03 0.36 0.41 0.87 -0.73 0.00 0.00 179.01 179.95 2oed h LYS 28 N 0.56 0.98 -0.49 1.92 1.57 -1.23 0.18 116.57 120.05 2oed h LYS 28 Ca 0.21 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2oed h LYS 28 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2oed h LYS 28 CO -0.11 0.71 0.17 0.00 -0.57 0.00 0.00 179.45 179.65 2oed h ALA 29 N 1.21 0.64 -0.20 3.86 0.00 -0.96 -1.85 119.26 121.96 2oed h ALA 29 Ca 0.25 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2oed h ALA 29 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2oed h ALA 29 CO -0.04 0.28 -0.50 0.74 0.00 0.00 0.00 179.25 179.73 2oed h PHE 30 N 0.66 0.68 -0.37 0.00 0.04 -0.65 -1.26 116.94 116.04 2oed h PHE 30 Ca 0.16 -0.23 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 2oed h PHE 30 Cb 0.25 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2oed h PHE 30 CO 0.01 0.94 -0.12 0.87 -0.60 0.00 0.00 178.31 179.41 2oed h LYS 31 N 0.44 0.66 -0.34 1.51 1.79 -0.51 0.36 116.57 120.47 2oed h LYS 31 Ca 0.02 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.21 2oed h LYS 31 Cb 1.03 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.61 2oed h LYS 31 CO 0.10 0.76 -0.06 0.37 -1.08 0.00 0.00 179.45 179.54 2oed h GLN 32 N 0.60 0.65 -0.38 3.15 5.75 -1.16 -1.45 115.11 122.27 2oed h GLN 32 Ca 0.10 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 2oed h GLN 32 Cb 0.56 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 2oed h GLN 32 CO 0.04 0.80 0.21 -0.92 -2.65 0.00 0.00 178.83 176.30 2oed h TYR 33 N 0.44 0.38 -0.38 3.99 3.20 -0.85 -0.08 116.97 123.68 2oed h TYR 33 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2oed h TYR 33 Cb 0.54 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2oed h TYR 33 CO 0.05 0.22 0.19 0.00 -1.64 0.00 0.00 178.16 176.97 2oed h ALA 34 N 1.18 0.48 -0.56 1.82 0.00 -0.80 -2.00 119.26 119.39 2oed h ALA 34 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2oed h ALA 34 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2oed h ALA 34 CO -0.09 0.04 0.31 -0.91 0.00 0.00 0.00 179.25 178.59 2oed h ASN 35 N 0.47 0.69 0.07 0.00 2.35 -0.89 -0.30 115.58 117.96 2oed h ASN 35 Ca 0.13 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2oed h ASN 35 Cb 0.11 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2oed h ASN 35 CO -0.02 0.58 -0.06 0.44 -1.65 0.00 0.00 177.43 176.73 2oed h ASP 36 N 0.75 0.00 -0.72 5.81 3.32 -0.78 -2.00 116.42 122.79 2oed h ASP 36 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2oed h ASP 36 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2oed h ASP 36 CO -0.03 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 2oed n ASN 37 N -4.35 4.00 -0.71 6.45 3.02 -0.77 -4.97 115.26 117.93 2oed n ASN 37 Ca -0.03 -2.03 -0.09 0.00 -0.03 0.00 0.00 54.58 52.40 2oed n ASN 37 Cb 0.14 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2oed n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oed n GLY 38 N 1.60 0.96 3.69 7.41 0.00 -0.61 -5.01 105.19 113.24 2oed n GLY 38 Ca 0.24 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 2oed n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oed s VAL 39 N -2.34 5.14 -0.42 1.61 1.01 -0.22 -5.01 120.40 120.17 2oed s VAL 39 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 61.98 62.96 2oed s VAL 39 Cb 0.00 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.67 2oed s VAL 39 CO 0.00 0.25 0.21 -0.62 0.00 0.00 0.00 175.10 174.94 2oed s ASP 40 N 0.90 3.72 0.00 3.32 2.15 -1.26 -4.32 116.67 121.18 2oed s ASP 40 Ca 0.25 -2.46 0.00 0.00 0.43 0.00 0.00 52.55 50.77 2oed s ASP 40 Cb -0.15 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.45 2oed s ASP 40 CO 0.10 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 2oed n GLY 41 N 3.76 4.81 3.77 2.66 0.00 -1.26 -4.67 105.19 114.26 2oed n GLY 41 Ca 0.07 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 2oed n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oed s VAL 42 N -1.25 4.61 0.07 1.61 -7.23 -0.42 -4.85 120.40 112.93 2oed s VAL 42 Ca 0.00 -0.51 0.07 0.00 -1.81 0.00 0.00 61.98 59.73 2oed s VAL 42 Cb 0.00 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2oed s VAL 42 CO 0.00 0.31 -0.14 0.26 -0.31 0.00 0.00 175.10 175.22 2oed s TRP 43 N -1.22 2.66 0.16 2.82 0.52 -1.26 -1.89 118.94 120.73 2oed s TRP 43 Ca 0.24 -0.19 0.04 0.00 0.02 0.00 0.00 56.10 56.21 2oed s TRP 43 Cb -0.12 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 2oed s TRP 43 CO 0.15 0.35 -0.09 0.95 0.02 0.00 0.00 176.95 178.33 2oed s THR 44 N -1.06 1.16 -0.02 2.01 -4.23 -0.76 -4.99 115.64 107.74 2oed s THR 44 Ca 0.18 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2oed s THR 44 Cb -0.11 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.86 2oed s THR 44 CO 0.09 -0.70 0.03 -0.47 -0.54 0.00 0.00 174.62 173.02 2oed s TYR 45 N -3.33 0.06 -0.30 3.99 5.04 -1.26 -1.76 117.35 119.80 2oed s TYR 45 Ca 0.18 0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.91 2oed s TYR 45 Cb 0.03 -0.25 0.06 0.00 0.35 0.00 0.00 41.96 42.14 2oed s TYR 45 CO 0.01 -0.09 -0.02 0.34 -1.34 0.00 0.00 175.55 174.45 2oed s ASP 46 N 1.04 4.80 0.50 4.32 -1.08 -0.62 -4.99 116.67 120.64 2oed s ASP 46 Ca -0.09 -1.35 0.25 0.00 -0.52 0.00 0.00 52.55 50.83 2oed s ASP 46 Cb -0.13 -1.68 1.33 0.00 -1.46 0.00 0.00 42.92 40.99 2oed s ASP 46 CO -0.03 -0.26 2.04 -0.78 0.52 0.00 0.00 175.17 176.67 2oed h ASP 47 N 7.94 0.00 0.15 -0.34 3.58 -1.97 -0.28 116.42 125.50 2oed h ASP 47 Ca -0.20 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 2oed h ASP 47 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2oed h ASP 47 CO 0.52 0.14 -0.41 0.00 -2.88 0.00 0.00 179.24 176.61 2oed h ALA 48 N 1.86 1.02 -0.09 -0.78 0.00 -1.97 -3.24 119.26 116.07 2oed h ALA 48 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2oed h ALA 48 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2oed h ALA 48 CO 0.02 0.61 0.00 0.25 0.00 0.00 0.00 179.25 180.13 2oed n THR 49 N -4.02 0.27 -3.98 0.00 -2.24 -1.12 -4.99 114.28 98.20 2oed n THR 49 Ca -0.02 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 2oed n THR 49 Cb 0.49 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 2oed n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2oed n LYS 50 N 0.48 -4.54 -5.08 -0.78 4.76 -0.13 -4.83 118.16 108.03 2oed n LYS 50 Ca 0.07 0.52 -0.30 0.00 -2.87 0.00 0.00 58.31 55.72 2oed n LYS 50 Cb 0.28 -5.22 -0.17 0.00 -1.84 0.00 0.00 35.03 28.08 2oed n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2oed s THR 51 N -3.43 1.83 0.01 -0.18 2.01 -1.09 -2.01 115.64 112.77 2oed s THR 51 Ca 0.52 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 2oed s THR 51 Cb -0.27 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2oed s THR 51 CO 0.86 0.51 0.10 -0.36 -0.69 0.00 0.00 174.62 175.05 2oed s PHE 52 N 0.20 3.33 -0.02 4.92 0.40 -0.08 -1.59 117.98 125.14 2oed s PHE 52 Ca -0.12 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.46 2oed s PHE 52 Cb -0.15 -1.74 -0.00 0.00 0.51 0.00 0.00 43.02 41.63 2oed s PHE 52 CO 0.06 0.56 -0.11 0.99 0.70 0.00 0.00 175.22 177.42 2oed s THR 53 N -1.25 0.91 -0.07 0.64 2.01 -0.72 -1.16 115.64 115.99 2oed s THR 53 Ca 0.25 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2oed s THR 53 Cb -0.12 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2oed s THR 53 CO 0.16 0.27 -0.14 0.54 -0.69 0.00 0.00 174.62 174.76 2oed s VAL 54 N -0.06 1.31 -0.05 3.82 0.11 -0.65 -1.84 120.40 123.05 2oed s VAL 54 Ca 0.01 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2oed s VAL 54 Cb -0.07 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2oed s VAL 54 CO 0.00 0.39 -0.15 0.28 -3.33 0.00 0.00 175.10 172.29 2oed s THR 55 N 0.61 1.32 -2.73 5.04 -1.32 -0.79 -0.66 115.64 117.10 2oed s THR 55 Ca -0.15 -0.64 0.26 0.00 -1.21 0.00 0.00 61.69 59.95 2oed s THR 55 Cb -0.16 -1.15 0.38 0.00 -1.51 0.00 0.00 72.50 70.06 2oed s THR 55 CO 0.05 0.39 1.52 -0.62 -2.21 0.00 0.00 174.62 173.74