#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo3 s ALA 2 N 0.00 1.15 0.18 -0.43 0.00 -1.26 -4.81 121.76 116.59 1xo3 s ALA 2 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 1xo3 s ALA 2 Cb 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 23.12 22.00 1xo3 s ALA 2 CO 0.00 -1.24 1.81 0.00 0.00 0.00 0.00 175.76 176.32 1xo3 h ALA 3 N 8.20 0.70 -2.64 0.00 0.00 -1.97 -3.26 119.26 120.30 1xo3 h ALA 3 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xo3 h ALA 3 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xo3 h ALA 3 CO 0.36 -0.01 0.00 -0.35 0.00 0.00 0.00 179.25 179.25 1xo3 n PRO 4 N -4.82 0.00 -3.70 0.00 -0.04 -1.26 -4.92 135.00 120.26 1xo3 n PRO 4 Ca 0.05 0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1xo3 n PRO 4 Cb 0.11 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1xo3 n PRO 4 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1xo3 s LEU 5 N -1.73 0.04 -0.15 1.53 0.05 -1.23 -5.03 118.68 112.15 1xo3 s LEU 5 Ca 0.00 1.01 -0.03 0.00 0.05 0.00 0.00 54.13 55.15 1xo3 s LEU 5 Cb 0.00 1.68 -0.03 0.00 -2.05 0.00 0.00 46.19 45.80 1xo3 s LEU 5 CO 0.00 -0.18 -0.05 0.00 -0.55 0.00 0.00 176.35 175.58 1xo3 s VAL 7 N 0.32 3.05 -0.09 0.00 -7.23 -0.95 -0.89 120.40 114.61 1xo3 s VAL 7 Ca -0.04 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1xo3 s VAL 7 Cb -0.14 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 1xo3 s VAL 7 CO 0.03 -0.35 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.48 1xo3 s LYS 8 N -3.64 2.85 -0.20 4.82 2.20 -0.13 -1.97 119.74 123.67 1xo3 s LYS 8 Ca 0.32 -0.86 -0.05 0.00 -0.36 0.00 0.00 55.97 55.02 1xo3 s LYS 8 Cb -0.05 -2.21 -0.02 0.00 -1.51 0.00 0.00 37.83 34.03 1xo3 s LYS 8 CO 0.18 0.22 -0.00 0.08 -0.36 0.00 0.00 175.35 175.47 1xo3 s VAL 9 N 0.23 3.95 0.05 4.02 1.01 -0.00 0.28 120.40 129.94 1xo3 s VAL 9 Ca -0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1xo3 s VAL 9 Cb -0.17 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1xo3 s VAL 9 CO 0.07 0.43 0.11 -0.70 0.00 0.00 0.00 175.10 175.02 1xo3 s GLU 10 N 0.95 0.64 -0.08 2.72 2.12 -0.18 0.52 118.70 125.39 1xo3 s GLU 10 Ca 0.01 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.58 1xo3 s GLU 10 Cb -0.14 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 1xo3 s GLU 10 CO 0.02 -0.17 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.32 1xo3 s PHE 11 N -2.87 2.63 0.00 5.30 0.08 -1.00 -1.14 117.98 120.97 1xo3 s PHE 11 Ca -0.03 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1xo3 s PHE 11 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1xo3 s PHE 11 CO -0.06 -0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.34 1xo3 n GLY 12 N 3.01 0.00 1.58 4.36 0.00 -0.18 -4.67 105.19 109.28 1xo3 n GLY 12 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1xo3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 13 N 0.80 3.21 2.15 -0.02 0.00 -0.97 -4.65 105.19 105.71 1xo3 n GLY 13 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1xo3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 14 N 0.24 0.52 0.19 -0.02 0.00 -1.26 -3.40 105.19 101.46 1xo3 n GLY 14 Ca 0.21 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1xo3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xo3 h ALA 15 N 0.00 0.79 -0.20 4.61 0.00 -1.82 -3.02 119.26 119.61 1xo3 h ALA 15 Ca -0.03 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.41 1xo3 h ALA 15 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xo3 h ALA 15 CO 0.05 0.71 0.15 1.05 0.00 0.00 0.00 179.25 181.21 1xo3 h GLU 16 N 0.27 0.00 -0.00 0.00 9.09 -1.83 0.64 114.58 122.75 1xo3 h GLU 16 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xo3 h GLU 16 Cb 1.10 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.20 1xo3 h GLU 16 CO 0.10 0.00 0.03 -0.07 0.05 0.00 0.00 179.01 179.12 1xo3 h LEU 17 N 0.00 0.00 -0.08 3.06 3.38 -1.84 0.40 115.31 120.23 1xo3 h LEU 17 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1xo3 h LEU 17 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xo3 h LEU 17 CO -0.00 0.00 -0.19 -0.07 0.09 0.00 0.00 178.44 178.27 1xo3 h LEU 18 N 0.00 0.00 -3.07 1.67 3.38 -1.05 -3.29 115.31 112.95 1xo3 h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xo3 h LEU 18 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xo3 h LEU 18 CO -0.00 0.19 0.00 0.49 0.09 0.00 0.00 178.44 179.21 1xo3 n PHE 19 N -3.16 0.66 -1.72 1.13 3.72 0.11 -1.72 117.46 116.49 1xo3 n PHE 19 Ca 0.03 -0.69 -0.07 0.00 -0.05 0.00 0.00 57.45 56.67 1xo3 n PHE 19 Cb 0.60 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1xo3 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xo3 n ASP 20 N -0.07 -3.11 0.00 4.37 2.03 -0.86 -3.53 116.55 115.38 1xo3 n ASP 20 Ca 0.16 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1xo3 n ASP 20 Cb 0.65 -1.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 1xo3 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xo3 n GLY 21 N -1.52 0.82 3.68 0.27 0.00 0.55 -4.99 105.19 104.01 1xo3 n GLY 21 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xo3 s VAL 22 N -2.00 4.08 0.00 1.61 1.01 -1.23 -4.92 120.40 118.95 1xo3 s VAL 22 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1xo3 s VAL 22 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1xo3 s VAL 22 CO 0.00 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.37 1xo3 n LYS 23 N 5.44 0.00 -2.93 2.72 5.02 -1.26 -4.36 118.16 122.78 1xo3 n LYS 23 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1xo3 n LYS 23 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 1xo3 n LYS 23 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xo3 s LYS 24 N 0.00 4.43 -0.12 1.97 2.20 -1.26 -2.37 119.74 124.58 1xo3 s LYS 24 Ca 0.00 1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 56.61 1xo3 s LYS 24 Cb 0.00 -3.48 0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1xo3 s LYS 24 CO 0.00 -0.06 0.14 -1.58 -0.36 0.00 0.00 175.35 173.48 1xo3 s HIS 25 N 1.20 -0.06 0.24 4.03 2.46 0.19 -4.99 115.29 118.35 1xo3 s HIS 25 Ca 0.41 0.23 -0.29 0.00 0.47 0.00 0.00 55.06 55.88 1xo3 s HIS 25 Cb -0.18 -0.43 -0.09 0.00 -0.13 0.00 0.00 32.58 31.75 1xo3 s HIS 25 CO 0.19 -0.39 0.93 -1.14 -2.47 0.00 0.00 174.74 171.86 1xo3 s GLN 26 N 2.24 4.81 -0.06 2.88 0.74 -1.26 -0.82 119.66 128.19 1xo3 s GLN 26 Ca 0.04 1.45 0.01 0.00 0.05 0.00 0.00 55.36 56.91 1xo3 s GLN 26 Cb -0.14 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.76 1xo3 s GLN 26 CO -0.07 0.50 -0.05 0.54 -0.55 0.00 0.00 175.29 175.65 1xo3 s VAL 27 N -1.22 0.67 -0.16 1.34 0.11 -0.83 -4.93 120.40 115.37 1xo3 s VAL 27 Ca 0.42 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.22 1xo3 s VAL 27 Cb -0.25 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1xo3 s VAL 27 CO 0.31 0.27 0.11 0.00 -3.33 0.00 0.00 175.10 172.46 1xo3 s ALA 28 N 1.11 3.67 0.16 1.54 0.00 -1.26 -2.24 121.76 124.73 1xo3 s ALA 28 Ca -0.08 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1xo3 s ALA 28 Cb -0.14 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.90 1xo3 s ALA 28 CO -0.01 0.34 0.95 -0.51 0.00 0.00 0.00 175.76 176.54 1xo3 s LEU 29 N -0.17 4.55 0.51 0.00 2.01 -0.98 -4.92 118.68 119.68 1xo3 s LEU 29 Ca 0.10 1.85 0.29 0.00 0.01 0.00 0.00 54.13 56.38 1xo3 s LEU 29 Cb -0.12 -3.60 1.30 0.00 0.01 0.00 0.00 46.19 43.78 1xo3 s LEU 29 CO 0.01 0.02 1.97 -0.65 1.01 0.00 0.00 176.35 178.71 1xo3 h PRO 30 N 5.05 0.00 0.00 1.29 0.11 -1.96 -3.42 132.00 133.07 1xo3 h PRO 30 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xo3 h PRO 30 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xo3 h PRO 30 CO 0.70 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.01 1xo3 n GLY 31 N -0.16 1.06 0.00 -0.55 0.00 -1.26 -4.84 105.19 99.44 1xo3 n GLY 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xo3 n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xo3 n GLN 32 N -2.00 0.00 -0.39 1.61 1.13 -1.26 -4.87 117.38 111.60 1xo3 n GLN 32 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1xo3 n GLN 32 Cb 0.00 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.43 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1xo3 n GLU 33 N -0.45 1.63 -0.94 -1.09 -0.58 -1.26 -4.94 120.64 113.02 1xo3 n GLU 33 Ca 0.00 -1.03 -0.19 0.00 -0.42 0.00 0.00 57.16 55.51 1xo3 n GLU 33 Cb 0.00 -1.48 -0.12 0.00 -0.57 0.00 0.00 31.44 29.27 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xo3 n GLU 34 N 0.00 0.00 -0.79 3.49 1.02 -1.26 -4.77 120.64 118.33 1xo3 n GLU 34 Ca 0.18 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.37 1xo3 n GLU 34 Cb 0.83 -0.76 0.34 0.00 -0.02 0.00 0.00 31.44 31.83 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xo3 n PRO 35 N 4.28 4.28 -0.92 3.49 -0.04 -1.26 -4.50 135.00 140.32 1xo3 n PRO 35 Ca 0.42 -2.72 -0.18 0.00 -0.04 0.00 0.00 63.50 60.99 1xo3 n PRO 35 Cb 0.06 -2.16 0.14 0.00 -0.04 0.00 0.00 33.50 31.50 1xo3 n PRO 35 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xo3 n TRP 36 N 0.48 2.31 -0.95 0.54 5.03 -1.26 -4.63 117.44 118.95 1xo3 n TRP 36 Ca 0.25 -1.49 -0.33 0.00 3.03 0.00 0.00 57.50 58.96 1xo3 n TRP 36 Cb 1.09 -0.77 0.14 0.00 -1.03 0.00 0.00 31.31 30.74 1xo3 n TRP 36 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1xo3 n ASP 37 N -0.71 0.40 0.06 -0.99 9.92 -1.25 -4.65 116.55 119.32 1xo3 n ASP 37 Ca 0.45 0.51 0.16 0.00 -0.53 0.00 0.00 54.79 55.39 1xo3 n ASP 37 Cb 1.38 -1.45 0.66 0.00 -0.64 0.00 0.00 41.12 41.07 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1xo3 h ILE 38 N -1.24 0.81 0.18 0.53 1.08 -1.58 0.53 117.51 117.83 1xo3 h ILE 38 Ca -0.45 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1xo3 h ILE 38 Cb 1.29 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 1xo3 h ILE 38 CO 0.43 0.01 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.72 1xo3 h ARG 39 N 0.03 -0.23 0.00 2.37 1.12 -0.64 -1.93 114.38 115.10 1xo3 h ARG 39 Ca 0.19 0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.97 1xo3 h ARG 39 Cb 0.72 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.72 1xo3 h ARG 39 CO -0.01 -0.07 -0.51 -0.91 -3.11 0.00 0.00 179.97 175.36 1xo3 h ASN 40 N -0.34 0.00 0.45 -3.80 2.35 -1.22 -2.51 115.58 110.51 1xo3 h ASN 40 Ca -0.02 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 1xo3 h ASN 40 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1xo3 h ASN 40 CO 0.04 0.51 -0.82 -0.07 -1.65 0.00 0.00 177.43 175.44 1xo3 h LEU 41 N 0.00 0.35 -1.03 1.61 -0.00 -1.19 -2.08 115.31 112.97 1xo3 h LEU 41 Ca -0.01 -0.26 0.06 0.00 -0.00 0.00 0.00 57.88 57.68 1xo3 h LEU 41 Cb 1.04 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.54 1xo3 h LEU 41 CO 0.07 1.02 0.65 0.25 -0.00 0.00 0.00 178.44 180.43 1xo3 h LEU 42 N 0.17 1.04 -0.13 1.67 6.46 -0.92 0.30 115.31 123.90 1xo3 h LEU 42 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1xo3 h LEU 42 Cb 1.42 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1xo3 h LEU 42 CO 0.13 0.68 0.03 0.58 -0.62 0.00 0.00 178.44 179.23 1xo3 h VAL 43 N 1.19 1.21 -0.58 1.05 2.07 -1.22 0.59 116.25 120.56 1xo3 h VAL 43 Ca 0.42 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1xo3 h VAL 43 Cb 0.13 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1xo3 h VAL 43 CO -0.16 0.19 0.26 -0.25 0.02 0.00 0.00 177.57 177.63 1xo3 h TRP 44 N 0.01 0.46 0.25 1.57 2.91 -0.84 0.11 115.95 120.42 1xo3 h TRP 44 Ca 0.04 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1xo3 h TRP 44 Cb 0.27 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1xo3 h TRP 44 CO 0.01 0.18 -0.12 0.82 -1.03 0.00 0.00 178.44 178.30 1xo3 h ILE 45 N 0.48 0.81 0.35 2.65 2.04 -0.13 -2.58 117.51 121.13 1xo3 h ILE 45 Ca 0.27 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1xo3 h ILE 45 Cb 0.26 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1xo3 h ILE 45 CO -0.23 0.11 -0.17 0.50 0.00 0.00 0.00 178.15 178.35 1xo3 h LYS 46 N -0.59 -0.45 0.00 2.37 3.64 0.43 0.15 116.57 122.11 1xo3 h LYS 46 Ca -0.03 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xo3 h LYS 46 Cb 0.43 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xo3 h LYS 46 CO 0.06 -0.13 -0.16 1.63 -2.27 0.00 0.00 179.45 178.57 1xo3 n LYS 47 N -5.15 0.10 -0.02 1.90 5.02 0.38 -2.84 118.16 117.54 1xo3 n LYS 47 Ca -0.10 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1xo3 n LYS 47 Cb 0.27 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1xo3 n LYS 47 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xo3 n ASN 48 N -1.76 3.86 -0.06 4.39 3.02 -0.98 -4.85 115.26 118.88 1xo3 n ASN 48 Ca 0.06 -0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.57 1xo3 n ASN 48 Cb 0.37 0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.53 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xo3 n LEU 49 N -2.47 0.00 -4.65 3.41 7.94 0.35 -4.90 117.00 116.68 1xo3 n LEU 49 Ca -0.06 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.41 1xo3 n LEU 49 Cb 0.58 0.28 -0.03 0.00 0.53 0.00 0.00 43.42 44.79 1xo3 n LEU 49 CO 0.05 0.28 1.44 -0.22 -1.11 0.00 0.00 177.39 177.83 1xo3 s LEU 50 N -4.94 4.26 -0.08 -1.96 1.98 -0.22 -4.47 118.68 113.26 1xo3 s LEU 50 Ca -0.08 2.24 -0.03 0.00 -2.89 0.00 0.00 54.13 53.37 1xo3 s LEU 50 Cb 0.07 -3.53 -0.26 0.00 0.66 0.00 0.00 46.19 43.13 1xo3 s LEU 50 CO 0.72 -1.03 0.51 0.11 -1.89 0.00 0.00 176.35 174.76 1xo3 h LYS 51 N 10.13 0.23 0.00 1.98 1.79 -1.66 -3.48 116.57 125.56 1xo3 h LYS 51 Ca -0.41 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1xo3 h LYS 51 Cb 1.19 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1xo3 h LYS 51 CO 0.96 1.08 0.00 -0.85 -1.08 0.00 0.00 179.45 179.56 1xo3 n GLU 52 N -3.41 2.64 -1.84 3.15 0.28 -1.25 -5.03 120.64 115.18 1xo3 n GLU 52 Ca -0.27 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.31 1xo3 n GLU 52 Cb 1.05 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.89 1xo3 n GLU 52 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1xo3 s ARG 53 N 2.34 4.17 0.00 3.44 3.03 -1.26 -4.89 118.95 125.79 1xo3 s ARG 53 Ca 0.00 2.48 0.30 0.00 2.03 0.00 0.00 55.73 60.53 1xo3 s ARG 53 Cb 0.00 -3.11 1.52 0.00 -1.03 0.00 0.00 34.95 32.33 1xo3 s ARG 53 CO 0.00 -0.66 2.05 -2.30 -1.13 0.00 0.00 175.30 173.25 1xo3 n PRO 54 N 3.83 0.45 -0.08 3.89 -0.02 -1.26 -4.14 135.00 137.67 1xo3 n PRO 54 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1xo3 n PRO 54 Cb 0.37 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 1xo3 n PRO 54 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xo3 h GLU 55 N 0.00 0.60 0.00 -0.52 4.39 -1.93 -2.29 114.58 114.83 1xo3 h GLU 55 Ca 0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1xo3 h GLU 55 Cb 0.27 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1xo3 h GLU 55 CO 0.00 0.93 0.00 1.47 -1.16 0.00 0.00 179.01 180.25 1xo3 n LEU 56 N -4.33 0.00 0.00 1.33 -0.00 -1.26 -4.72 117.00 108.01 1xo3 n LEU 56 Ca -0.05 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1xo3 n LEU 56 Cb 0.46 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1xo3 n LEU 56 CO 0.44 -0.05 0.00 0.33 -0.00 0.00 0.00 177.39 178.10 1xo3 n PHE 57 N -1.29 -2.50 -2.11 1.47 7.35 -0.86 -5.07 117.46 114.45 1xo3 n PHE 57 Ca 0.12 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.52 1xo3 n PHE 57 Cb 0.20 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.06 1xo3 n PHE 57 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1xo3 s ILE 58 N 0.04 3.90 0.58 -2.13 -4.36 -1.26 -4.79 121.20 113.19 1xo3 s ILE 58 Ca 0.00 0.38 -0.20 0.00 -0.26 0.00 0.00 60.65 60.57 1xo3 s ILE 58 Cb 0.00 -3.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 1xo3 s ILE 58 CO 0.00 -0.70 1.29 0.00 0.24 0.00 0.00 174.94 175.78 1xo3 s GLN 59 N -5.15 3.00 -0.07 0.37 -2.07 -1.26 -4.78 119.66 109.70 1xo3 s GLN 59 Ca 0.55 2.07 -0.04 0.00 -1.82 0.00 0.00 55.36 56.12 1xo3 s GLN 59 Cb -0.11 -2.09 -0.16 0.00 -1.09 0.00 0.00 33.01 29.56 1xo3 s GLN 59 CO 0.49 -1.25 2.39 0.41 -1.32 0.00 0.00 175.29 176.02 1xo3 n GLY 60 N 0.71 2.29 2.02 2.60 0.00 -1.26 -3.55 105.19 107.99 1xo3 n GLY 60 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1xo3 n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xo3 n ASP 61 N 2.79 -0.46 0.02 1.61 8.00 -1.26 -5.02 116.55 122.23 1xo3 n ASP 61 Ca 0.28 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.12 1xo3 n ASP 61 Cb 0.53 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xo3 n SER 62 N -3.10 -0.03 -3.52 -2.24 2.88 -1.23 -3.61 113.62 102.77 1xo3 n SER 62 Ca 0.00 0.07 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 1xo3 n SER 62 Cb 0.00 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1xo3 n SER 62 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xo3 s VAL 63 N -1.13 0.01 0.58 2.46 -7.23 -1.26 -4.83 120.40 109.00 1xo3 s VAL 63 Ca 0.00 -0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 59.81 1xo3 s VAL 63 Cb 0.00 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1xo3 s VAL 63 CO 0.00 -0.06 0.98 0.00 -0.31 0.00 0.00 175.10 175.72 1xo3 s ARG 64 N -3.79 3.65 0.67 4.82 1.70 -1.26 -4.31 118.95 120.43 1xo3 s ARG 64 Ca 0.03 0.70 0.35 0.00 -0.47 0.00 0.00 55.73 56.35 1xo3 s ARG 64 Cb -0.01 -2.14 1.93 0.00 -0.57 0.00 0.00 34.95 34.16 1xo3 s ARG 64 CO -0.10 -0.46 2.09 -1.35 -1.08 0.00 0.00 175.30 174.40 1xo3 h PRO 65 N -0.02 0.00 -0.12 3.89 0.11 -2.02 -0.24 132.00 133.60 1xo3 h PRO 65 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1xo3 h PRO 65 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xo3 h PRO 65 CO 0.62 0.00 -0.71 0.78 -0.21 0.00 0.00 178.00 178.48 1xo3 h GLY 66 N 0.00 0.62 -6.29 -0.55 0.00 -1.96 -3.43 103.07 91.46 1xo3 h GLY 66 Ca 0.00 -0.84 -0.63 0.00 0.00 0.00 0.00 47.33 45.86 1xo3 h GLY 66 CO -0.00 0.75 -0.60 -0.42 0.00 0.00 0.00 176.54 176.27 1xo3 s ILE 67 N -3.73 4.48 0.01 2.60 1.01 -0.10 0.18 121.20 125.65 1xo3 s ILE 67 Ca -0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1xo3 s ILE 67 Cb 0.10 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1xo3 s ILE 67 CO 0.86 0.44 0.33 -0.76 0.00 0.00 0.00 174.94 175.82 1xo3 s LEU 68 N 0.61 4.40 -0.16 2.97 1.43 0.17 -4.24 118.68 123.85 1xo3 s LEU 68 Ca 0.02 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1xo3 s LEU 68 Cb -0.13 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1xo3 s LEU 68 CO 0.02 0.27 -0.13 -0.69 0.23 0.00 0.00 176.35 176.05 1xo3 s VAL 69 N -1.23 2.88 -0.31 -1.59 1.01 -1.25 0.49 120.40 120.39 1xo3 s VAL 69 Ca 0.27 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1xo3 s VAL 69 Cb -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1xo3 s VAL 69 CO 0.14 0.50 0.67 -0.76 0.00 0.00 0.00 175.10 175.66 1xo3 s LEU 70 N 0.84 4.14 -0.48 3.92 1.43 -0.30 -2.37 118.68 125.85 1xo3 s LEU 70 Ca -0.04 0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 1xo3 s LEU 70 Cb -0.15 -2.88 0.03 0.00 0.03 0.00 0.00 46.19 43.22 1xo3 s LEU 70 CO 0.00 -0.53 0.86 -0.63 0.23 0.00 0.00 176.35 176.28 1xo3 s ILE 71 N 2.72 4.54 0.00 -0.59 -1.09 0.20 -2.02 121.20 124.95 1xo3 s ILE 71 Ca 0.27 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 1xo3 s ILE 71 Cb -0.15 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1xo3 s ILE 71 CO 0.12 -0.85 0.00 0.59 -1.23 0.00 0.00 174.94 173.57 1xo3 n ASN 72 N 7.03 0.00 0.00 3.58 4.13 -0.82 -1.65 115.26 127.52 1xo3 n ASN 72 Ca 0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1xo3 n ASN 72 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xo3 n ASP 73 N 3.34 0.00 -4.09 6.41 2.03 -1.26 -3.21 116.55 119.78 1xo3 n ASP 73 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1xo3 n ASP 73 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1xo3 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xo3 s ALA 74 N 0.00 1.98 -0.44 -1.67 0.00 -0.66 -4.99 121.76 115.98 1xo3 s ALA 74 Ca 0.00 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 1xo3 s ALA 74 Cb 0.00 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 24.16 1xo3 s ALA 74 CO 0.00 -0.48 2.17 -0.51 0.00 0.00 0.00 175.76 176.94 1xo3 s ASP 75 N -3.38 5.01 0.23 0.00 1.11 -1.26 -0.63 116.67 117.75 1xo3 s ASP 75 Ca 0.35 1.12 -0.09 0.00 0.18 0.00 0.00 52.55 54.11 1xo3 s ASP 75 Cb 0.06 -2.51 0.36 0.00 1.07 0.00 0.00 42.92 41.90 1xo3 s ASP 75 CO 0.16 -2.44 1.64 4.11 1.18 0.00 0.00 175.17 179.83 1xo3 h TRP 76 N 16.81 -0.08 -0.90 4.23 -0.00 -1.81 -0.84 115.95 133.35 1xo3 h TRP 76 Ca -0.29 0.05 0.10 0.00 -0.00 0.00 0.00 58.89 58.75 1xo3 h TRP 76 Cb 1.23 0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 30.46 1xo3 h TRP 76 CO 0.97 -0.22 0.58 0.93 -0.00 0.00 0.00 178.44 180.71 1xo3 h GLU 77 N 0.10 0.86 -0.02 0.12 5.08 -1.89 0.12 114.58 118.94 1xo3 h GLU 77 Ca 0.37 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1xo3 h GLU 77 Cb 0.62 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xo3 h GLU 77 CO -0.62 0.57 0.00 1.28 -1.00 0.00 0.00 179.01 179.24 1xo3 n LEU 78 N -4.54 1.20 -0.05 1.33 4.77 -0.37 -3.87 117.00 115.48 1xo3 n LEU 78 Ca 0.16 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.66 1xo3 n LEU 78 Cb 0.32 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1xo3 n LEU 78 CO 0.31 0.21 -0.86 0.18 -1.33 0.00 0.00 177.39 175.89 1xo3 n LEU 79 N -0.05 0.95 0.00 2.23 4.77 0.24 -5.02 117.00 120.12 1xo3 n LEU 79 Ca 0.20 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1xo3 n LEU 79 Cb 0.30 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xo3 n LEU 79 CO 0.16 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1xo3 n GLY 80 N 2.54 0.82 7.00 -0.72 0.00 -0.17 -5.09 105.19 109.57 1xo3 n GLY 80 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xo3 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xo3 n GLU 81 N 0.00 0.00 -0.32 1.61 1.02 -0.15 -3.63 120.64 119.16 1xo3 n GLU 81 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1xo3 n GLU 81 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.64 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1xo3 n LEU 82 N 0.00 -0.18 -3.81 -4.62 -0.00 -1.26 -2.56 117.00 104.56 1xo3 n LEU 82 Ca 0.00 1.58 -0.42 0.00 -0.00 0.00 0.00 56.01 57.16 1xo3 n LEU 82 Cb 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1xo3 n LEU 82 CO 0.00 -1.57 1.96 -0.67 -0.00 0.00 0.00 177.39 177.11 1xo3 n ASP 83 N -5.41 5.72 -4.42 1.45 2.03 -1.24 -0.20 116.55 114.48 1xo3 n ASP 83 Ca 0.19 -3.15 -0.35 0.00 0.52 0.00 0.00 54.79 52.01 1xo3 n ASP 83 Cb 0.63 -1.44 -0.13 0.00 -0.72 0.00 0.00 41.12 39.46 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1xo3 s TYR 84 N -0.21 3.00 -0.96 -0.67 6.14 -1.06 -4.96 117.35 118.63 1xo3 s TYR 84 Ca 0.41 -0.55 0.00 0.00 0.64 0.00 0.00 57.07 57.57 1xo3 s TYR 84 Cb 0.11 -2.05 0.00 0.00 0.42 0.00 0.00 41.96 40.44 1xo3 s TYR 84 CO -0.00 -0.27 0.51 0.00 0.64 0.00 0.00 175.55 176.42 1xo3 n GLN 85 N 4.19 0.97 -1.49 4.97 0.00 -1.26 -3.91 117.38 120.85 1xo3 n GLN 85 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 57.00 56.85 1xo3 n GLN 85 Cb 0.52 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 29.28 1xo3 n GLN 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1xo3 n LEU 86 N 0.04 -1.37 0.00 2.61 7.99 -1.26 -4.97 117.00 120.04 1xo3 n LEU 86 Ca 0.00 2.43 0.00 0.00 -0.01 0.00 0.00 56.01 58.43 1xo3 n LEU 86 Cb 0.25 -2.98 0.00 0.00 -0.11 0.00 0.00 43.42 40.58 1xo3 n LEU 86 CO 0.00 -0.94 0.00 0.00 -1.51 0.00 0.00 177.39 174.94 1xo3 n GLN 87 N -2.86 0.00 0.00 3.23 3.00 -1.26 -5.13 117.38 114.35 1xo3 n GLN 87 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1xo3 n GLN 87 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 30.24 30.61 1xo3 n GLN 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1xo3 n ASP 88 N -1.84 0.00 -3.34 1.08 2.03 -1.26 -4.85 116.55 108.37 1xo3 n ASP 88 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 1xo3 n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xo3 n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xo3 n GLN 89 N 0.00 -3.67 -2.03 -0.67 3.00 -0.07 -4.88 117.38 109.07 1xo3 n GLN 89 Ca 0.00 0.54 -0.42 0.00 -0.01 0.00 0.00 57.00 57.11 1xo3 n GLN 89 Cb 0.00 -5.27 -0.03 0.00 0.00 0.00 0.00 30.24 24.94 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1xo3 s ASP 90 N -2.74 5.79 -0.79 1.08 1.01 -1.26 -4.78 116.67 114.98 1xo3 s ASP 90 Ca 0.40 1.07 -0.23 0.00 0.71 0.00 0.00 52.55 54.50 1xo3 s ASP 90 Cb -0.21 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.27 1xo3 s ASP 90 CO 0.49 -1.83 1.14 -0.44 0.21 0.00 0.00 175.17 174.74 1xo3 s SER 91 N 6.39 6.31 -0.50 0.27 0.01 -1.20 -0.96 113.70 124.03 1xo3 s SER 91 Ca 0.76 -1.15 -0.22 0.00 1.31 0.00 0.00 55.95 56.66 1xo3 s SER 91 Cb -0.20 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1xo3 s SER 91 CO 0.31 -1.47 0.75 -0.63 0.41 0.00 0.00 173.24 172.61 1xo3 s ILE 92 N 4.32 4.67 -0.13 1.44 -1.09 0.14 -1.95 121.20 128.61 1xo3 s ILE 92 Ca 0.31 -0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 1xo3 s ILE 92 Cb -0.10 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.41 1xo3 s ILE 92 CO 0.04 -0.86 -0.15 -0.22 -1.23 0.00 0.00 174.94 172.52 1xo3 s LEU 93 N 3.19 2.57 -0.35 2.97 0.20 -0.86 -1.01 118.68 125.40 1xo3 s LEU 93 Ca 0.24 -0.39 -0.18 0.00 0.69 0.00 0.00 54.13 54.48 1xo3 s LEU 93 Cb -0.15 -1.57 -0.00 0.00 -0.43 0.00 0.00 46.19 44.03 1xo3 s LEU 93 CO 0.17 0.15 0.51 -0.36 -0.29 0.00 0.00 176.35 176.53 1xo3 s PHE 94 N 0.45 3.18 -0.30 5.38 0.40 -0.30 -1.16 117.98 125.64 1xo3 s PHE 94 Ca -0.11 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1xo3 s PHE 94 Cb -0.16 -2.92 0.07 0.00 0.51 0.00 0.00 43.02 40.53 1xo3 s PHE 94 CO 0.05 -0.54 -0.01 0.42 0.70 0.00 0.00 175.22 175.84 1xo3 s ILE 95 N 2.38 2.49 -0.21 0.64 -1.09 0.18 -1.01 121.20 124.57 1xo3 s ILE 95 Ca 0.18 -1.81 -0.29 0.00 -2.23 0.00 0.00 60.65 56.51 1xo3 s ILE 95 Cb -0.15 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1xo3 s ILE 95 CO 0.13 -0.26 1.52 -0.55 -1.23 0.00 0.00 174.94 174.56 1xo3 s SER 96 N 1.15 6.53 0.00 3.58 0.15 -1.22 0.45 113.70 124.34 1xo3 s SER 96 Ca -0.01 1.62 0.21 0.00 0.70 0.00 0.00 55.95 58.47 1xo3 s SER 96 Cb -0.20 -2.53 0.31 0.00 -1.71 0.00 0.00 66.02 61.89 1xo3 s SER 96 CO -0.05 -1.13 1.29 1.07 1.20 0.00 0.00 173.24 175.62 1xo3 n THR 97 N 6.15 0.33 -0.31 6.45 5.66 0.13 -4.31 114.28 128.38 1xo3 n THR 97 Ca 0.17 -0.67 -0.01 0.00 -3.05 0.00 0.00 64.05 60.49 1xo3 n THR 97 Cb 0.45 1.14 0.15 0.00 -1.55 0.00 0.00 70.33 70.52 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1xo3 h LEU 98 N 4.17 1.05 -5.42 1.09 3.38 -1.82 -2.84 115.31 114.92 1xo3 h LEU 98 Ca 0.00 -0.04 -0.72 0.00 0.09 0.00 0.00 57.88 57.21 1xo3 h LEU 98 Cb 0.92 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 1xo3 h LEU 98 CO 0.00 0.78 2.91 1.57 0.09 0.00 0.00 178.44 183.79 1xo3 n HIS 99 N -4.38 2.54 0.00 1.13 -0.00 -1.26 -4.75 115.22 108.50 1xo3 n HIS 99 Ca 0.10 -2.92 0.00 0.00 0.46 0.00 0.00 57.72 55.36 1xo3 n HIS 99 Cb 0.03 -2.06 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xo3 n GLY 100 N 2.35 -0.52 0.00 1.57 0.00 -1.07 -5.14 105.19 102.39 1xo3 n GLY 100 Ca 0.68 0.35 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93