#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmt s GLN 2 N 0.00 4.53 0.07 2.12 -0.21 -1.26 -1.01 119.66 123.90 2qmt s GLN 2 Ca 0.00 1.18 0.10 0.00 0.02 0.00 0.00 55.36 56.66 2qmt s GLN 2 Cb 0.00 -3.42 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 2qmt s GLN 2 CO 0.00 0.12 -0.26 0.71 -2.12 0.00 0.00 175.29 173.73 2qmt s TYR 3 N 0.49 2.28 0.03 0.91 2.02 -0.28 -4.91 117.35 117.89 2qmt s TYR 3 Ca 0.44 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.81 2qmt s TYR 3 Cb -0.20 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 2qmt s TYR 3 CO 0.24 0.19 -0.23 0.21 -1.57 0.00 0.00 175.55 174.40 2qmt s LYS 4 N -1.52 1.96 -0.15 -0.62 2.20 -0.48 -0.84 119.74 120.30 2qmt s LYS 4 Ca 0.12 -1.03 0.01 0.00 -0.36 0.00 0.00 55.97 54.72 2qmt s LYS 4 Cb -0.10 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 2qmt s LYS 4 CO 0.03 0.53 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.20 2qmt s LEU 5 N -1.24 2.32 -0.26 5.43 2.96 0.65 -0.19 118.68 128.35 2qmt s LEU 5 Ca 0.13 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 2qmt s LEU 5 Cb -0.10 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2qmt s LEU 5 CO 0.03 0.09 0.26 -0.63 -1.32 0.00 0.00 176.35 174.78 2qmt s ILE 6 N 0.78 5.27 -0.26 6.68 1.01 0.15 -1.16 121.20 133.66 2qmt s ILE 6 Ca -0.07 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 2qmt s ILE 6 Cb -0.16 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2qmt s ILE 6 CO -0.00 0.24 0.27 -0.76 0.00 0.00 0.00 174.94 174.69 2qmt s LEU 7 N 1.68 4.05 -0.44 2.97 1.43 0.51 -1.15 118.68 127.73 2qmt s LEU 7 Ca 0.11 0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.46 2qmt s LEU 7 Cb -0.15 -2.26 0.36 0.00 0.03 0.00 0.00 46.19 44.17 2qmt s LEU 7 CO 0.09 -0.09 0.85 -3.20 0.23 0.00 0.00 176.35 174.23 2qmt n ASN 8 N 5.01 2.38 -4.69 2.29 5.15 0.34 -1.75 115.26 123.99 2qmt n ASN 8 Ca -0.12 -3.26 -0.29 0.00 -0.60 0.00 0.00 54.58 50.31 2qmt n ASN 8 Cb 0.51 -0.58 0.13 0.00 -0.53 0.00 0.00 39.78 39.31 2qmt n ASN 8 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2qmt s GLY 9 N -2.92 1.61 0.23 8.20 0.00 0.36 -1.48 107.32 113.32 2qmt s GLY 9 Ca 0.42 -0.70 -0.08 0.00 0.00 0.00 0.00 44.72 44.36 2qmt s GLY 9 CO -0.10 -0.13 1.86 0.50 0.00 0.00 0.00 173.10 175.24 2qmt h LYS 10 N -1.38 0.95 0.00 2.90 1.57 -1.96 -3.35 116.57 115.29 2qmt h LYS 10 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2qmt h LYS 10 Cb 1.31 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2qmt h LYS 10 CO 0.59 0.63 -0.87 -2.37 -0.57 0.00 0.00 179.45 176.86 2qmt n THR 11 N -4.60 0.00 -3.48 -0.16 5.66 -1.26 -5.00 114.28 105.44 2qmt n THR 11 Ca 0.10 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.70 2qmt n THR 11 Cb 0.10 0.33 -0.10 0.00 -1.55 0.00 0.00 70.33 69.11 2qmt n THR 11 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2qmt s LEU 12 N -2.68 4.24 0.11 1.09 0.20 -1.26 -5.07 118.68 115.32 2qmt s LEU 12 Ca 0.00 -0.09 0.04 0.00 0.69 0.00 0.00 54.13 54.77 2qmt s LEU 12 Cb 0.00 -2.25 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2qmt s LEU 12 CO 0.00 -0.20 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.23 2qmt s LYS 13 N 1.89 0.89 0.00 1.98 1.02 -1.26 -0.49 119.74 123.78 2qmt s LYS 13 Ca 0.10 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.84 2qmt s LYS 13 Cb -0.16 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 2qmt s LYS 13 CO 0.11 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2qmt n GLY 14 N 0.29 0.41 3.12 -3.33 0.00 -0.72 -4.92 105.19 100.03 2qmt n GLY 14 Ca -0.14 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 2qmt n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qmt s GLU 15 N -1.05 0.47 0.06 1.61 2.02 -1.26 -0.36 118.70 120.19 2qmt s GLU 15 Ca 0.00 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.64 2qmt s GLU 15 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 2qmt s GLU 15 CO 0.00 -0.11 0.09 0.99 0.02 0.00 0.00 175.26 176.25 2qmt s THR 16 N -1.19 0.16 0.18 3.63 2.01 -0.31 -5.00 115.64 115.12 2qmt s THR 16 Ca -0.13 -1.32 0.08 0.00 0.31 0.00 0.00 61.69 60.63 2qmt s THR 16 Cb -0.07 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2qmt s THR 16 CO 0.02 -0.73 -0.16 0.42 -0.69 0.00 0.00 174.62 173.47 2qmt s THR 17 N -3.36 1.75 0.01 -0.82 -4.23 -1.26 -0.25 115.64 107.48 2qmt s THR 17 Ca 0.01 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2qmt s THR 17 Cb 0.03 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 2qmt s THR 17 CO -0.08 -0.43 0.03 0.28 -0.54 0.00 0.00 174.62 173.88 2qmt s THR 18 N -2.40 0.10 -0.26 3.99 -1.32 -0.02 -4.99 115.64 110.73 2qmt s THR 18 Ca 0.18 -0.81 -0.15 0.00 -1.21 0.00 0.00 61.69 59.69 2qmt s THR 18 Cb -0.04 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.60 2qmt s THR 18 CO 0.06 -0.44 0.39 -1.61 -2.21 0.00 0.00 174.62 170.81 2qmt s GLU 19 N -1.40 4.03 0.05 7.08 0.41 -1.26 -1.13 118.70 126.48 2qmt s GLU 19 Ca -0.15 0.09 -0.04 0.00 -0.41 0.00 0.00 54.97 54.45 2qmt s GLU 19 Cb -0.09 -3.65 -0.02 0.00 -1.78 0.00 0.00 34.13 28.59 2qmt s GLU 19 CO -0.00 -0.27 0.07 0.00 -0.49 0.00 0.00 175.26 174.57 2qmt s ALA 20 N 2.05 0.09 0.14 5.21 0.00 -0.18 -4.89 121.76 124.19 2qmt s ALA 20 Ca 0.16 -0.77 0.21 0.00 0.00 0.00 0.00 51.96 51.56 2qmt s ALA 20 Cb -0.16 0.29 0.75 0.00 0.00 0.00 0.00 23.12 24.01 2qmt s ALA 20 CO 0.10 -0.36 1.76 -0.39 0.00 0.00 0.00 175.76 176.87 2qmt h VAL 21 N 3.40 0.75 -2.71 0.00 -1.51 -1.97 0.05 116.25 114.25 2qmt h VAL 21 Ca -0.33 -1.38 0.11 0.00 -1.23 0.00 0.00 66.70 63.87 2qmt h VAL 21 Cb 1.18 1.88 -0.07 0.00 -2.13 0.00 0.00 31.29 32.15 2qmt h VAL 21 CO 0.56 0.31 0.34 1.51 -1.23 0.00 0.00 177.57 179.06 2qmt s ASP 22 N -6.34 -0.23 0.29 4.19 1.47 -1.26 -4.77 116.67 110.01 2qmt s ASP 22 Ca 0.00 -0.50 0.06 0.00 1.18 0.00 0.00 52.55 53.30 2qmt s ASP 22 Cb 0.11 0.62 0.45 0.00 -0.34 0.00 0.00 42.92 43.75 2qmt s ASP 22 CO 0.67 -1.14 1.70 0.00 0.68 0.00 0.00 175.17 177.08 2qmt h ALA 23 N 2.00 1.10 -0.54 2.11 0.00 -1.99 -1.78 119.26 120.17 2qmt h ALA 23 Ca -0.22 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2qmt h ALA 23 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2qmt h ALA 23 CO 0.25 0.59 0.12 0.00 0.00 0.00 0.00 179.25 180.20 2qmt h ALA 24 N 1.36 1.19 -0.18 0.00 0.00 -1.99 0.15 119.26 119.80 2qmt h ALA 24 Ca 0.02 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2qmt h ALA 24 Cb 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qmt h ALA 24 CO 0.06 0.55 -0.44 1.15 0.00 0.00 0.00 179.25 180.58 2qmt h THR 25 N 0.80 1.33 -0.91 0.00 2.02 -1.88 -2.82 112.91 111.45 2qmt h THR 25 Ca 0.17 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 65.68 2qmt h THR 25 Cb 0.32 1.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2qmt h THR 25 CO 0.00 0.52 0.60 0.00 0.37 0.00 0.00 175.52 177.01 2qmt h ALA 26 N 0.57 1.36 -0.61 6.16 0.00 -0.95 -1.94 119.26 123.86 2qmt h ALA 26 Ca -0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qmt h ALA 26 Cb 1.05 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2qmt h ALA 26 CO 0.10 0.59 0.34 1.49 0.00 0.00 0.00 179.25 181.77 2qmt h GLU 27 N 1.22 0.64 -0.39 0.00 4.81 -0.64 0.17 114.58 120.39 2qmt h GLU 27 Ca 0.34 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2qmt h GLU 27 Cb -0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 2qmt h GLU 27 CO -0.08 0.42 0.15 0.87 -0.73 0.00 0.00 179.01 179.65 2qmt h LYS 28 N 0.66 0.59 -0.06 1.92 1.57 -1.18 0.40 116.57 120.45 2qmt h LYS 28 Ca 0.26 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2qmt h LYS 28 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2qmt h LYS 28 CO -0.15 0.56 -0.01 0.28 -0.57 0.00 0.00 179.45 179.55 2qmt h VAL 29 N 0.49 0.94 -0.51 0.50 2.07 -0.82 -1.11 116.25 117.82 2qmt h VAL 29 Ca 0.13 -0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 2qmt h VAL 29 Cb 0.19 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2qmt h VAL 29 CO -0.01 0.00 -0.14 -0.26 0.02 0.00 0.00 177.57 177.18 2qmt h PHE 30 N 0.00 1.12 -0.32 1.57 0.04 -0.80 -1.11 116.94 117.44 2qmt h PHE 30 Ca 0.03 -0.25 -0.11 0.00 2.80 0.00 0.00 57.97 60.44 2qmt h PHE 30 Cb 0.05 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 2qmt h PHE 30 CO -0.12 1.06 -0.27 0.87 -0.60 0.00 0.00 178.31 179.25 2qmt h LYS 31 N 0.85 0.64 -0.44 1.51 1.57 -0.87 0.37 116.57 120.21 2qmt h LYS 31 Ca 0.13 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2qmt h LYS 31 Cb 0.71 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2qmt h LYS 31 CO 0.05 0.85 0.10 1.96 -0.57 0.00 0.00 179.45 181.84 2qmt h GLN 32 N 0.56 0.71 -0.24 3.15 4.20 -1.02 -0.86 115.11 121.60 2qmt h GLN 32 Ca 0.07 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2qmt h GLN 32 Cb 0.75 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2qmt h GLN 32 CO 0.06 0.72 0.15 -0.92 -0.67 0.00 0.00 178.83 178.17 2qmt h TYR 33 N 0.58 0.29 -0.11 2.96 3.20 -0.96 -0.51 116.97 122.43 2qmt h TYR 33 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2qmt h TYR 33 Cb 0.34 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2qmt h TYR 33 CO 0.02 0.18 0.06 0.00 -1.64 0.00 0.00 178.16 176.78 2qmt h ALA 34 N 1.10 0.14 -0.59 1.82 0.00 -0.80 -2.01 119.26 118.91 2qmt h ALA 34 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2qmt h ALA 34 Cb -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2qmt h ALA 34 CO -0.03 -0.32 0.31 -0.97 0.00 0.00 0.00 179.25 178.24 2qmt h ASN 35 N 0.07 0.45 0.62 0.00 -1.24 -0.92 -0.19 115.58 114.37 2qmt h ASN 35 Ca 0.04 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 2qmt h ASN 35 Cb 0.09 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 2qmt h ASN 35 CO -0.01 0.30 -0.14 0.44 -1.29 0.00 0.00 177.43 176.73 2qmt h ASP 36 N 0.58 0.00 -0.67 1.15 5.19 -0.79 -1.74 116.42 120.15 2qmt h ASP 36 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2qmt h ASP 36 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2qmt h ASP 36 CO -0.18 0.14 0.00 0.59 -3.12 0.00 0.00 179.24 176.67 2qmt n ASN 37 N -3.46 4.58 -0.41 6.45 3.02 -0.78 -4.96 115.26 119.70 2qmt n ASN 37 Ca -0.01 -2.35 -0.05 0.00 -0.03 0.00 0.00 54.58 52.14 2qmt n ASN 37 Cb 0.31 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 2qmt n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qmt n GLY 38 N 1.26 0.78 3.64 7.41 0.00 -0.65 -4.97 105.19 112.65 2qmt n GLY 38 Ca 0.26 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 2qmt n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qmt s VAL 39 N -2.20 5.11 -0.43 1.61 1.01 -0.15 -5.01 120.40 120.35 2qmt s VAL 39 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2qmt s VAL 39 Cb 0.00 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.71 2qmt s VAL 39 CO 0.00 0.15 0.20 -0.62 0.00 0.00 0.00 175.10 174.83 2qmt s ASP 40 N 1.38 3.98 0.07 3.32 2.15 -1.26 -3.96 116.67 122.35 2qmt s ASP 40 Ca 0.21 -2.52 0.02 0.00 0.43 0.00 0.00 52.55 50.68 2qmt s ASP 40 Cb -0.15 -1.21 -0.01 0.00 -0.30 0.00 0.00 42.92 41.25 2qmt s ASP 40 CO 0.09 -0.29 0.06 0.61 -0.17 0.00 0.00 175.17 175.47 2qmt n GLY 41 N 3.71 3.80 3.87 2.66 0.00 -1.26 -4.74 105.19 113.23 2qmt n GLY 41 Ca 0.06 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2qmt n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qmt s GLU 42 N -2.28 3.67 0.02 1.61 0.41 0.24 -4.83 118.70 117.54 2qmt s GLU 42 Ca 0.08 0.07 0.09 0.00 -0.41 0.00 0.00 54.97 54.80 2qmt s GLU 42 Cb 0.00 -3.09 -0.03 0.00 -1.78 0.00 0.00 34.13 29.24 2qmt s GLU 42 CO 0.06 0.64 -0.25 -1.58 -0.49 0.00 0.00 175.26 173.64 2qmt s TRP 43 N -1.27 2.36 0.25 1.61 0.52 -1.26 -1.24 118.94 119.91 2qmt s TRP 43 Ca 0.27 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 56.07 2qmt s TRP 43 Cb -0.14 -1.44 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2qmt s TRP 43 CO 0.15 0.09 -0.12 0.95 0.02 0.00 0.00 176.95 178.04 2qmt s THR 44 N -0.76 1.83 -0.10 2.01 -4.23 -0.70 -4.97 115.64 108.73 2qmt s THR 44 Ca 0.11 -2.21 -0.05 0.00 -1.18 0.00 0.00 61.69 58.37 2qmt s THR 44 Cb -0.10 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.52 2qmt s THR 44 CO 0.01 -0.44 0.23 -0.47 -0.54 0.00 0.00 174.62 173.42 2qmt s TYR 45 N -2.90 -0.31 -0.26 3.99 5.04 -1.26 -1.10 117.35 120.56 2qmt s TYR 45 Ca 0.27 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.63 2qmt s TYR 45 Cb 0.00 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.39 2qmt s TYR 45 CO 0.10 -0.22 -0.06 0.34 -1.34 0.00 0.00 175.55 174.37 2qmt s ASP 46 N 1.17 4.38 0.37 4.32 -1.08 -0.20 -4.99 116.67 120.64 2qmt s ASP 46 Ca -0.09 -0.98 0.27 0.00 -0.52 0.00 0.00 52.55 51.24 2qmt s ASP 46 Cb -0.10 -1.65 1.09 0.00 -1.46 0.00 0.00 42.92 40.80 2qmt s ASP 46 CO -0.08 -0.15 1.81 -0.78 0.52 0.00 0.00 175.17 176.49 2qmt h ASP 47 N 7.98 0.00 0.56 -0.34 3.58 -1.97 -0.23 116.42 126.00 2qmt h ASP 47 Ca -0.30 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.86 2qmt h ASP 47 Cb 1.09 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.16 2qmt h ASP 47 CO 0.56 0.00 -1.29 0.00 -2.88 0.00 0.00 179.24 175.62 2qmt h ALA 48 N 2.18 0.04 -0.14 -0.78 0.00 -1.97 -3.35 119.26 115.25 2qmt h ALA 48 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2qmt h ALA 48 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qmt h ALA 48 CO 0.00 0.92 0.00 0.25 0.00 0.00 0.00 179.25 180.42 2qmt n THR 49 N -3.57 0.24 -3.41 0.00 -2.24 -1.06 -4.99 114.28 99.26 2qmt n THR 49 Ca -0.10 -0.62 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 2qmt n THR 49 Cb 1.04 1.13 0.03 0.00 -2.10 0.00 0.00 70.33 70.43 2qmt n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qmt n LYS 50 N 0.91 -5.18 -4.96 -0.78 4.76 -0.12 -4.84 118.16 107.95 2qmt n LYS 50 Ca 0.11 0.72 -0.30 0.00 -2.87 0.00 0.00 58.31 55.97 2qmt n LYS 50 Cb 0.42 -5.59 -0.17 0.00 -1.84 0.00 0.00 35.03 27.86 2qmt n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2qmt s THR 51 N -3.17 1.75 0.07 -0.18 2.01 -1.11 -1.38 115.64 113.64 2qmt s THR 51 Ca 0.46 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2qmt s THR 51 Cb -0.22 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2qmt s THR 51 CO 0.57 0.49 0.18 -0.36 -0.69 0.00 0.00 174.62 174.81 2qmt s PHE 52 N 0.50 3.44 0.04 4.92 0.40 0.74 -1.04 117.98 126.98 2qmt s PHE 52 Ca -0.16 0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 2qmt s PHE 52 Cb -0.17 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 2qmt s PHE 52 CO 0.06 0.57 -0.12 0.95 0.70 0.00 0.00 175.22 177.38 2qmt s THR 53 N -1.49 0.97 -0.05 0.64 -4.23 -0.26 -0.68 115.64 110.55 2qmt s THR 53 Ca 0.34 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2qmt s THR 53 Cb -0.13 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.82 2qmt s THR 53 CO 0.27 -0.08 -0.09 0.54 -0.54 0.00 0.00 174.62 174.72 2qmt s VAL 54 N -0.94 0.82 -0.05 2.29 0.11 -0.30 -1.72 120.40 120.61 2qmt s VAL 54 Ca -0.01 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 2qmt s VAL 54 Cb -0.08 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2qmt s VAL 54 CO 0.01 0.28 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.11 2qmt s THR 55 N 0.61 0.62 -2.88 5.04 2.01 -0.37 -0.50 115.64 120.18 2qmt s THR 55 Ca -0.10 -0.18 0.25 0.00 0.31 0.00 0.00 61.69 61.97 2qmt s THR 55 Cb -0.13 -0.63 0.28 0.00 0.01 0.00 0.00 72.50 72.02 2qmt s THR 55 CO 0.02 0.24 1.38 -0.62 -0.69 0.00 0.00 174.62 174.95