#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 4.03 0.00 -0.43 0.00 -0.94 -4.82 121.76 119.61 1xo3 s ALA 2 Ca 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 48.62 1xo3 s ALA 2 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1xo3 s ALA 2 CO 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 175.76 173.51 1xo3 n ALA 3 N 3.83 0.00 -0.70 0.00 0.00 -1.26 -3.65 120.51 118.73 1xo3 n ALA 3 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1xo3 n ALA 3 Cb 0.45 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.24 1xo3 n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xo3 n PRO 4 N -0.90 3.75 -1.61 0.00 -0.04 -1.26 0.50 135.00 135.45 1xo3 n PRO 4 Ca 0.00 -2.86 -0.30 0.00 -0.04 0.00 0.00 63.50 60.30 1xo3 n PRO 4 Cb 0.00 -1.90 0.23 0.00 -0.04 0.00 0.00 33.50 31.79 1xo3 n PRO 4 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1xo3 n LEU 5 N 0.70 0.00 -4.06 1.53 -0.00 -1.26 -4.60 117.00 109.30 1xo3 n LEU 5 Ca 0.24 -1.37 -0.29 0.00 -0.00 0.00 0.00 56.01 54.59 1xo3 n LEU 5 Cb 0.91 -1.03 -0.17 0.00 -0.00 0.00 0.00 43.42 43.13 1xo3 n LEU 5 CO 0.23 -1.73 -0.50 0.00 -0.00 0.00 0.00 177.39 175.39 1xo3 s VAL 7 N 1.08 4.17 -0.06 0.00 -7.23 -1.01 -1.56 120.40 115.79 1xo3 s VAL 7 Ca -0.04 -1.25 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 1xo3 s VAL 7 Cb -0.14 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 1xo3 s VAL 7 CO -0.04 -0.13 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.63 1xo3 s LYS 8 N -3.10 2.56 -0.17 4.82 2.20 0.12 -2.50 119.74 123.68 1xo3 s LYS 8 Ca 0.30 -0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1xo3 s LYS 8 Cb -0.10 -2.13 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1xo3 s LYS 8 CO 0.22 0.33 -0.12 0.08 -0.36 0.00 0.00 175.35 175.50 1xo3 s VAL 9 N -0.06 2.93 0.08 4.02 1.01 -0.42 -0.33 120.40 127.63 1xo3 s VAL 9 Ca -0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1xo3 s VAL 9 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1xo3 s VAL 9 CO 0.04 0.49 0.13 -0.70 0.00 0.00 0.00 175.10 175.07 1xo3 s GLU 10 N 0.91 0.78 0.44 2.72 2.12 -0.49 0.88 118.70 126.05 1xo3 s GLU 10 Ca -0.03 -1.03 -0.05 0.00 0.36 0.00 0.00 54.97 54.22 1xo3 s GLU 10 Cb -0.15 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1xo3 s GLU 10 CO -0.01 -0.22 0.74 -0.59 -0.54 0.00 0.00 175.26 174.63 1xo3 s PHE 11 N -3.88 3.54 0.00 5.30 -0.71 -0.83 -2.03 117.98 119.37 1xo3 s PHE 11 Ca 0.06 0.77 0.00 0.00 -1.04 0.00 0.00 56.93 56.72 1xo3 s PHE 11 Cb 0.06 -2.25 0.00 0.00 -1.21 0.00 0.00 43.02 39.61 1xo3 s PHE 11 CO -0.11 -0.17 0.00 0.41 -1.34 0.00 0.00 175.22 174.01 1xo3 n GLY 12 N -1.98 -0.48 2.08 1.99 0.00 -0.60 -4.78 105.19 101.41 1xo3 n GLY 12 Ca -0.00 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.76 3.25 2.43 -0.02 0.00 -0.71 -4.53 105.19 104.85 1xo3 n GLY 13 Ca 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 2.35 0.95 0.21 -0.02 0.00 -1.26 -3.39 105.19 104.03 1xo3 n GLY 14 Ca 0.46 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 1.46 0.00 4.61 0.00 -1.83 -2.53 119.26 120.97 1xo3 h ALA 15 Ca -0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xo3 h ALA 15 Cb 0.73 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xo3 h ALA 15 CO 0.24 0.39 -0.08 1.05 0.00 0.00 0.00 179.25 180.86 1xo3 h GLU 16 N 0.11 0.00 0.00 0.00 4.11 -1.90 -0.39 114.58 116.50 1xo3 h GLU 16 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1xo3 h GLU 16 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xo3 h GLU 16 CO 0.04 0.08 0.00 1.28 0.07 0.00 0.00 179.01 180.47 1xo3 n LEU 17 N -4.25 0.03 0.07 3.06 4.77 -0.95 0.24 117.00 119.97 1xo3 n LEU 17 Ca -0.03 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1xo3 n LEU 17 Cb 0.16 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1xo3 n LEU 17 CO 0.33 -0.31 0.02 0.18 -1.33 0.00 0.00 177.39 176.28 1xo3 n LEU 18 N -1.53 0.69 -0.67 2.23 4.77 -0.16 -4.25 117.00 118.07 1xo3 n LEU 18 Ca 0.03 0.19 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 1xo3 n LEU 18 Cb 0.14 -0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.34 1xo3 n LEU 18 CO 0.11 -0.09 0.66 0.49 -1.33 0.00 0.00 177.39 177.23 1xo3 n PHE 19 N -2.34 0.64 -1.24 -1.77 3.72 0.13 0.14 117.46 116.74 1xo3 n PHE 19 Ca 0.01 -0.75 -0.08 0.00 -0.05 0.00 0.00 57.45 56.57 1xo3 n PHE 19 Cb 0.50 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.29 -4.59 0.00 4.37 2.03 -0.72 -2.82 116.55 114.53 1xo3 n ASP 20 Ca 0.16 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1xo3 n ASP 20 Cb 0.68 -2.82 0.00 0.00 -0.72 0.00 0.00 41.12 38.26 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 -1.19 1.12 3.70 0.27 0.00 0.14 -4.98 105.19 104.24 1xo3 n GLY 21 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.54 0.00 1.61 1.01 -1.13 -4.95 120.40 119.48 1xo3 s VAL 22 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1xo3 s VAL 22 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1xo3 s VAL 22 CO 0.00 0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.45 1xo3 n LYS 23 N 4.58 0.00 -3.16 2.72 5.02 -1.26 -4.21 118.16 121.84 1xo3 n LYS 23 Ca 0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 1xo3 n LYS 23 Cb 0.48 -0.01 -0.06 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 -0.06 4.19 -0.22 1.97 2.20 -1.26 -1.97 119.74 124.60 1xo3 s LYS 24 Ca 0.00 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1xo3 s LYS 24 Cb 0.00 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1xo3 s LYS 24 CO 0.00 -0.23 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.02 1xo3 s HIS 25 N 1.89 3.01 -0.10 4.03 5.65 0.25 -4.99 115.29 125.04 1xo3 s HIS 25 Ca 0.27 -1.96 -0.19 0.00 0.25 0.00 0.00 55.06 53.43 1xo3 s HIS 25 Cb -0.16 -1.93 -0.04 0.00 -1.18 0.00 0.00 32.58 29.28 1xo3 s HIS 25 CO 0.10 -0.84 0.51 -1.14 -0.65 0.00 0.00 174.74 172.72 1xo3 s GLN 26 N 1.20 4.34 -0.11 2.88 0.74 -1.26 -1.31 119.66 126.15 1xo3 s GLN 26 Ca -0.02 0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.92 1xo3 s GLN 26 Cb -0.16 -3.43 0.02 0.00 1.10 0.00 0.00 33.01 30.54 1xo3 s GLN 26 CO -0.09 0.17 -0.11 0.54 -0.55 0.00 0.00 175.29 175.25 1xo3 s VAL 27 N 0.55 1.23 -0.19 1.34 0.11 -1.04 -5.01 120.40 117.40 1xo3 s VAL 27 Ca 0.28 -0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 58.71 1xo3 s VAL 27 Cb -0.16 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 1xo3 s VAL 27 CO 0.12 0.39 0.41 0.00 -3.33 0.00 0.00 175.10 172.69 1xo3 s ALA 28 N 1.31 3.55 0.27 1.54 0.00 -1.26 -2.40 121.76 124.76 1xo3 s ALA 28 Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1xo3 s ALA 28 Cb -0.14 -2.63 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1xo3 s ALA 28 CO -0.05 -0.25 1.42 -0.51 0.00 0.00 0.00 175.76 176.38 1xo3 s LEU 29 N 1.19 4.39 0.60 0.00 2.01 0.57 -4.87 118.68 122.57 1xo3 s LEU 29 Ca 0.20 2.70 0.37 0.00 0.01 0.00 0.00 54.13 57.41 1xo3 s LEU 29 Cb -0.15 -3.63 2.02 0.00 0.01 0.00 0.00 46.19 44.44 1xo3 s LEU 29 CO 0.08 -0.69 2.13 -0.65 1.01 0.00 0.00 176.35 178.24 1xo3 h PRO 30 N 4.63 0.00 0.00 1.29 0.11 -1.88 -3.39 132.00 132.77 1xo3 h PRO 30 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xo3 h PRO 30 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xo3 h PRO 30 CO 0.75 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 1xo3 n GLY 31 N -1.15 0.87 0.00 -0.55 0.00 0.18 -4.88 105.19 99.66 1xo3 n GLY 31 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.51 3.03 -1.37 1.61 6.02 -1.25 -4.77 117.38 119.14 1xo3 n GLN 32 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1xo3 n GLN 32 Cb 0.21 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.39 1xo3 n GLN 32 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1xo3 n GLU 33 N 0.00 2.90 -3.40 -1.09 2.13 -1.26 -4.36 120.64 115.55 1xo3 n GLU 33 Ca 0.00 -2.05 -0.29 0.00 0.66 0.00 0.00 57.16 55.49 1xo3 n GLU 33 Cb 0.00 -2.30 0.03 0.00 0.27 0.00 0.00 31.44 29.43 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xo3 n GLU 34 N 2.10 -1.94 -0.17 5.31 1.02 -1.24 -4.87 120.64 120.85 1xo3 n GLU 34 Ca 0.55 1.47 0.10 0.00 -0.02 0.00 0.00 57.16 59.26 1xo3 n GLU 34 Cb 0.56 -3.01 0.27 0.00 -0.02 0.00 0.00 31.44 29.25 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 -0.66 2.05 -1.31 3.49 -0.04 -1.26 -4.36 135.00 132.92 1xo3 n PRO 35 Ca -0.08 -1.61 -0.25 0.00 -0.04 0.00 0.00 63.50 61.53 1xo3 n PRO 35 Cb 0.63 -1.41 0.12 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.82 2.71 -0.69 0.54 5.03 -1.26 -4.82 117.44 119.76 1xo3 n TRP 36 Ca 0.17 -2.33 -0.31 0.00 3.03 0.00 0.00 57.50 58.06 1xo3 n TRP 36 Cb 0.42 -0.97 0.16 0.00 -1.03 0.00 0.00 31.31 29.89 1xo3 n TRP 36 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 1xo3 n ASP 37 N -0.99 -0.93 0.05 -0.99 5.68 -1.26 -4.64 116.55 113.46 1xo3 n ASP 37 Ca 0.54 0.29 0.11 0.00 -0.50 0.00 0.00 54.79 55.23 1xo3 n ASP 37 Cb 1.05 -1.32 0.57 0.00 -1.14 0.00 0.00 41.12 40.28 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1xo3 h ILE 38 N -1.88 0.92 0.18 2.12 1.08 -1.52 -1.25 117.51 117.15 1xo3 h ILE 38 Ca -0.46 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1xo3 h ILE 38 Cb 1.29 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1xo3 h ILE 38 CO 0.39 0.04 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.72 1xo3 h ARG 39 N 0.22 -0.23 -0.35 2.37 1.12 -0.68 -0.30 114.38 116.52 1xo3 h ARG 39 Ca 0.17 0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.94 1xo3 h ARG 39 Cb 0.40 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 1xo3 h ARG 39 CO -0.03 -0.11 -0.28 -0.91 -3.11 0.00 0.00 179.97 175.52 1xo3 h ASN 40 N -0.29 0.75 0.26 -3.80 2.35 -1.62 -2.90 115.58 110.33 1xo3 h ASN 40 Ca -0.02 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.34 1xo3 h ASN 40 Cb 0.23 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1xo3 h ASN 40 CO 0.04 0.99 -0.39 -0.07 -1.65 0.00 0.00 177.43 176.35 1xo3 h LEU 41 N 0.62 0.18 -0.75 1.61 -0.00 -1.17 0.34 115.31 116.15 1xo3 h LEU 41 Ca 0.08 -0.07 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1xo3 h LEU 41 Cb 0.80 -0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 41.35 1xo3 h LEU 41 CO 0.07 0.57 0.44 0.25 -0.00 0.00 0.00 178.44 179.76 1xo3 h LEU 42 N 0.15 0.67 -0.39 1.67 6.46 -0.85 0.21 115.31 123.23 1xo3 h LEU 42 Ca 0.01 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.69 1xo3 h LEU 42 Cb 0.77 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1xo3 h LEU 42 CO 0.06 0.43 -0.20 0.58 -0.62 0.00 0.00 178.44 178.69 1xo3 h VAL 43 N 0.80 1.28 -0.68 1.05 2.07 -1.13 0.32 116.25 119.96 1xo3 h VAL 43 Ca 0.33 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1xo3 h VAL 43 Cb 0.19 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1xo3 h VAL 43 CO -0.18 0.44 0.37 -0.25 0.02 0.00 0.00 177.57 177.97 1xo3 h TRP 44 N 0.63 0.67 -0.24 1.57 2.91 -0.45 0.28 115.95 121.32 1xo3 h TRP 44 Ca 0.09 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 1xo3 h TRP 44 Cb 0.75 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 1xo3 h TRP 44 CO 0.06 0.31 -0.03 0.82 -1.03 0.00 0.00 178.44 178.57 1xo3 h ILE 45 N 0.67 1.27 0.41 2.65 2.04 -0.24 0.42 117.51 124.73 1xo3 h ILE 45 Ca 0.31 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1xo3 h ILE 45 Cb 0.22 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xo3 h ILE 45 CO -0.20 0.31 -0.20 0.11 0.00 0.00 0.00 178.15 178.17 1xo3 h LYS 46 N 0.20 -0.53 0.01 2.37 1.57 0.24 0.53 116.57 120.96 1xo3 h LYS 46 Ca 0.06 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1xo3 h LYS 46 Cb 0.46 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xo3 h LYS 46 CO 0.02 -0.33 -0.20 0.87 -0.57 0.00 0.00 179.45 179.24 1xo3 h LYS 47 N -0.59 0.12 0.00 3.15 1.57 -0.52 -2.82 116.57 117.48 1xo3 h LYS 47 Ca -0.06 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 1xo3 h LYS 47 Cb 0.44 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1xo3 h LYS 47 CO 0.09 0.92 -1.23 -0.91 -0.57 0.00 0.00 179.45 177.75 1xo3 h ASN 48 N -0.62 0.00 0.00 0.86 2.35 -1.00 -3.40 115.58 113.77 1xo3 h ASN 48 Ca -0.03 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.40 1xo3 h ASN 48 Cb 0.99 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 1xo3 h ASN 48 CO 0.04 0.65 -2.09 0.18 -1.65 0.00 0.00 177.43 174.56 1xo3 n LEU 49 N -3.02 1.75 -4.60 1.61 4.77 0.10 -4.94 117.00 112.68 1xo3 n LEU 49 Ca -0.07 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 1xo3 n LEU 49 Cb 0.85 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1xo3 n LEU 49 CO 0.43 0.50 1.70 -0.22 -1.33 0.00 0.00 177.39 178.47 1xo3 s LEU 50 N -6.84 3.46 0.10 2.23 1.98 0.16 -4.07 118.68 115.70 1xo3 s LEU 50 Ca -0.27 1.51 0.18 0.00 -2.89 0.00 0.00 54.13 52.67 1xo3 s LEU 50 Cb 0.10 -3.43 -0.10 0.00 0.66 0.00 0.00 46.19 43.41 1xo3 s LEU 50 CO 0.36 -1.90 0.89 0.11 -1.89 0.00 0.00 176.35 173.93 1xo3 h LYS 51 N 14.21 0.00 0.00 1.98 1.79 -0.59 -3.45 116.57 130.51 1xo3 h LYS 51 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1xo3 h LYS 51 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1xo3 h LYS 51 CO 1.01 0.22 0.00 -0.85 -1.08 0.00 0.00 179.45 178.76 1xo3 n GLU 52 N -2.85 2.53 -2.18 3.15 0.28 -1.25 -5.05 120.64 115.28 1xo3 n GLU 52 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.50 1xo3 n GLU 52 Cb 0.77 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.62 1xo3 n GLU 52 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1xo3 s ARG 53 N 1.14 4.22 0.00 3.44 0.52 -1.26 -4.88 118.95 122.12 1xo3 s ARG 53 Ca 0.00 1.98 0.14 0.00 -0.52 0.00 0.00 55.73 57.33 1xo3 s ARG 53 Cb 0.00 -3.84 0.66 0.00 0.52 0.00 0.00 34.95 32.29 1xo3 s ARG 53 CO 0.00 -0.75 1.40 -2.30 0.02 0.00 0.00 175.30 173.67 1xo3 n PRO 54 N 6.64 0.12 0.17 3.54 -0.02 -1.26 -2.42 135.00 141.76 1xo3 n PRO 54 Ca 0.15 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1xo3 n PRO 54 Cb 0.44 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.94 1xo3 n PRO 54 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xo3 h GLU 55 N 0.00 0.00 -0.10 -0.52 4.11 -1.91 0.11 114.58 116.27 1xo3 h GLU 55 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xo3 h GLU 55 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1xo3 h GLU 55 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.36 1xo3 n LEU 56 N -2.48 2.17 0.00 3.06 4.77 -1.02 -4.91 117.00 118.59 1xo3 n LEU 56 Ca 0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1xo3 n LEU 56 Cb 0.28 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1xo3 n LEU 56 CO 0.23 0.40 0.00 0.33 -1.33 0.00 0.00 177.39 177.02 1xo3 n PHE 57 N 0.67 -1.34 -1.78 -1.77 7.35 0.37 -5.05 117.46 115.92 1xo3 n PHE 57 Ca 0.17 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.56 1xo3 n PHE 57 Cb 0.44 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.33 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 0.14 3.39 0.57 -2.13 -4.36 -1.26 -4.77 121.20 112.78 1xo3 s ILE 58 Ca 0.00 0.45 -0.21 0.00 -0.26 0.00 0.00 60.65 60.63 1xo3 s ILE 58 Cb 0.00 -3.37 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 1xo3 s ILE 58 CO 0.00 -0.59 1.33 0.00 0.24 0.00 0.00 174.94 175.92 1xo3 s GLN 59 N -5.29 3.03 -0.14 0.37 -2.07 -1.26 -4.75 119.66 109.56 1xo3 s GLN 59 Ca 0.59 2.15 -0.05 0.00 -1.82 0.00 0.00 55.36 56.24 1xo3 s GLN 59 Cb -0.12 -2.16 -0.18 0.00 -1.09 0.00 0.00 33.01 29.46 1xo3 s GLN 59 CO 0.53 -1.25 2.71 0.41 -1.32 0.00 0.00 175.29 176.37 1xo3 n GLY 60 N 0.74 2.56 2.05 2.60 0.00 -1.26 -3.34 105.19 108.54 1xo3 n GLY 60 Ca 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 2.80 -0.95 0.00 1.61 9.92 -1.26 -5.05 116.55 123.62 1xo3 n ASP 61 Ca 0.34 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 1xo3 n ASP 61 Cb 0.60 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 42.13 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1xo3 n SER 62 N -3.25 0.00 -3.56 -2.24 2.88 -1.21 -4.27 113.62 101.96 1xo3 n SER 62 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1xo3 n SER 62 Cb 0.00 0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.50 0.03 0.60 2.46 -7.23 -1.26 -4.78 120.40 109.71 1xo3 s VAL 63 Ca 0.00 -0.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.86 1xo3 s VAL 63 Cb 0.00 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 1xo3 s VAL 63 CO 0.00 -0.12 0.98 0.00 -0.31 0.00 0.00 175.10 175.65 1xo3 s ARG 64 N -2.43 3.48 0.64 4.82 1.70 -1.26 -4.31 118.95 121.59 1xo3 s ARG 64 Ca -0.05 0.56 0.30 0.00 -0.47 0.00 0.00 55.73 56.07 1xo3 s ARG 64 Cb -0.01 -2.15 1.64 0.00 -0.57 0.00 0.00 34.95 33.86 1xo3 s ARG 64 CO -0.02 -0.54 1.96 -1.35 -1.08 0.00 0.00 175.30 174.28 1xo3 h PRO 65 N -0.22 0.00 0.21 3.89 0.11 -2.02 -2.20 132.00 131.78 1xo3 h PRO 65 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xo3 h PRO 65 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xo3 h PRO 65 CO 0.62 0.00 -0.10 0.78 -0.21 0.00 0.00 178.00 179.09 1xo3 h GLY 66 N 0.00 -0.30 -7.16 -0.55 0.00 -1.95 -3.42 103.07 89.68 1xo3 h GLY 66 Ca 0.06 0.11 -0.62 0.00 0.00 0.00 0.00 47.33 46.88 1xo3 h GLY 66 CO -0.00 -0.11 -0.39 -0.42 0.00 0.00 0.00 176.54 175.62 1xo3 s ILE 67 N -5.24 5.28 -0.19 2.60 1.01 -0.83 0.03 121.20 123.85 1xo3 s ILE 67 Ca -0.15 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 1xo3 s ILE 67 Cb 0.03 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1xo3 s ILE 67 CO 0.61 0.27 0.20 -0.76 0.00 0.00 0.00 174.94 175.26 1xo3 s LEU 68 N 1.48 4.20 0.03 2.97 1.43 0.15 -4.38 118.68 124.55 1xo3 s LEU 68 Ca 0.11 0.31 0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1xo3 s LEU 68 Cb -0.15 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1xo3 s LEU 68 CO 0.08 0.12 -0.26 0.68 0.23 0.00 0.00 176.35 177.19 1xo3 s VAL 69 N 0.57 2.11 -0.18 -1.59 -7.23 -1.25 0.30 120.40 113.13 1xo3 s VAL 69 Ca 0.11 -1.33 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 1xo3 s VAL 69 Cb -0.12 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1xo3 s VAL 69 CO 0.01 0.41 0.64 -0.76 -0.31 0.00 0.00 175.10 175.10 1xo3 s LEU 70 N -1.10 4.16 -0.49 1.32 1.43 -0.43 -2.79 118.68 120.78 1xo3 s LEU 70 Ca 0.11 0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 53.88 1xo3 s LEU 70 Cb -0.10 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.25 1xo3 s LEU 70 CO 0.01 -0.26 0.71 -0.63 0.23 0.00 0.00 176.35 176.42 1xo3 s ILE 71 N 1.80 4.74 0.00 -0.59 -1.09 0.34 -1.79 121.20 124.61 1xo3 s ILE 71 Ca 0.30 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1xo3 s ILE 71 Cb -0.16 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.40 1xo3 s ILE 71 CO 0.11 -0.80 0.00 -3.20 -1.23 0.00 0.00 174.94 169.81 1xo3 n ASN 72 N 6.52 0.00 0.00 3.58 2.85 -0.79 -1.79 115.26 125.64 1xo3 n ASN 72 Ca -0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1xo3 n ASN 72 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1xo3 n ASP 73 N 3.12 0.00 -3.76 1.20 2.03 -1.26 -2.91 116.55 114.97 1xo3 n ASP 73 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 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 1.76 -0.35 -1.67 0.00 -0.74 -5.02 121.76 115.74 1xo3 s ALA 74 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 51.96 49.81 1xo3 s ALA 74 Cb 0.00 1.34 -0.01 0.00 0.00 0.00 0.00 23.12 24.45 1xo3 s ALA 74 CO 0.00 -0.59 1.75 -0.51 0.00 0.00 0.00 175.76 176.41 1xo3 s ASP 75 N -3.33 5.92 0.21 0.00 1.01 -1.26 -0.51 116.67 118.72 1xo3 s ASP 75 Ca 0.38 1.19 -0.12 0.00 0.71 0.00 0.00 52.55 54.71 1xo3 s ASP 75 Cb 0.04 -2.53 0.27 0.00 1.01 0.00 0.00 42.92 41.71 1xo3 s ASP 75 CO 0.21 -1.71 1.63 4.11 0.21 0.00 0.00 175.17 179.62 1xo3 h TRP 76 N 12.69 -0.25 -0.65 4.23 0.09 -1.86 -2.47 115.95 127.74 1xo3 h TRP 76 Ca -0.32 0.05 -0.03 0.00 0.09 0.00 0.00 58.89 58.68 1xo3 h TRP 76 Cb 1.16 0.21 -0.03 0.00 0.08 0.00 0.00 29.16 30.58 1xo3 h TRP 76 CO 0.96 -0.25 0.30 1.05 0.09 0.00 0.00 178.44 180.60 1xo3 h GLU 77 N 0.03 0.93 -0.15 0.12 4.11 -1.90 0.73 114.58 118.46 1xo3 h GLU 77 Ca 0.32 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1xo3 h GLU 77 Cb 0.50 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xo3 h GLU 77 CO -0.63 0.75 0.00 1.47 0.07 0.00 0.00 179.01 180.68 1xo3 n LEU 78 N -4.48 1.75 -0.09 3.06 -0.00 -1.12 -3.68 117.00 112.44 1xo3 n LEU 78 Ca 0.05 -0.71 -0.10 0.00 -0.00 0.00 0.00 56.01 55.25 1xo3 n LEU 78 Cb 0.13 -0.09 -0.14 0.00 -0.00 0.00 0.00 43.42 43.32 1xo3 n LEU 78 CO 0.38 0.35 -1.12 0.18 -0.00 0.00 0.00 177.39 177.19 1xo3 n LEU 79 N 0.38 0.24 0.00 1.47 4.32 -0.28 -5.01 117.00 118.11 1xo3 n LEU 79 Ca 0.17 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1xo3 n LEU 79 Cb 0.35 0.35 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 1xo3 n LEU 79 CO 0.14 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.41 1xo3 n GLY 80 N 1.90 1.17 7.00 -0.72 0.00 0.04 -5.06 105.19 109.52 1xo3 n GLY 80 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xo3 n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xo3 n GLU 81 N 0.00 0.00 -0.37 1.61 0.28 -0.01 -3.35 120.64 118.79 1xo3 n GLU 81 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xo3 n GLU 81 Cb 0.00 0.00 0.05 0.00 1.43 0.00 0.00 31.44 32.92 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1xo3 n LEU 82 N 0.00 -0.60 -2.10 -1.84 -0.00 -1.26 -1.12 117.00 110.07 1xo3 n LEU 82 Ca 0.00 1.71 -0.23 0.00 -0.00 0.00 0.00 56.01 57.48 1xo3 n LEU 82 Cb 0.00 -0.41 0.04 0.00 -0.00 0.00 0.00 43.42 43.05 1xo3 n LEU 82 CO 0.00 -1.55 1.33 0.47 -0.00 0.00 0.00 177.39 177.64 1xo3 n ASP 83 N -5.46 6.85 -4.78 1.45 9.92 -1.21 -0.10 116.55 123.22 1xo3 n ASP 83 Ca 0.11 -3.30 -0.36 0.00 -0.53 0.00 0.00 54.79 50.71 1xo3 n ASP 83 Cb 0.40 -1.05 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1xo3 s TYR 84 N -2.44 2.97 -2.12 1.24 2.02 -0.28 -4.92 117.35 113.82 1xo3 s TYR 84 Ca 0.44 1.58 0.17 0.00 -0.37 0.00 0.00 57.07 58.88 1xo3 s TYR 84 Cb 0.34 -3.21 0.50 0.00 -0.40 0.00 0.00 41.96 39.19 1xo3 s TYR 84 CO -0.04 -1.10 1.40 1.04 -1.57 0.00 0.00 175.55 175.28 1xo3 n GLN 85 N -0.69 2.03 -1.39 -0.62 3.00 -1.26 -4.14 117.38 114.32 1xo3 n GLN 85 Ca 0.08 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 1xo3 n GLN 85 Cb 0.50 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.36 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 0.79 -1.74 -4.25 1.08 7.99 -1.26 -1.89 117.00 117.71 1xo3 n LEU 86 Ca 0.16 2.59 -0.22 0.00 -0.01 0.00 0.00 56.01 58.54 1xo3 n LEU 86 Cb 0.40 -2.58 -0.12 0.00 -0.11 0.00 0.00 43.42 41.00 1xo3 n LEU 86 CO 0.12 -0.22 -0.49 -1.10 -1.51 0.00 0.00 177.39 174.18 1xo3 s GLN 87 N -4.68 1.03 0.42 3.23 1.11 -1.26 -1.48 119.66 118.03 1xo3 s GLN 87 Ca 0.00 -1.12 -0.26 0.00 0.01 0.00 0.00 55.36 53.99 1xo3 s GLN 87 Cb 0.00 -1.18 -0.09 0.00 -1.01 0.00 0.00 33.01 30.73 1xo3 s GLN 87 CO 0.00 0.27 1.34 0.16 0.01 0.00 0.00 175.29 177.07 1xo3 s ASP 88 N -1.95 6.18 -1.51 5.90 1.47 -1.26 -1.81 116.67 123.69 1xo3 s ASP 88 Ca 0.05 2.73 -0.04 0.00 1.18 0.00 0.00 52.55 56.47 1xo3 s ASP 88 Cb -0.09 -2.64 0.01 0.00 -0.34 0.00 0.00 42.92 39.86 1xo3 s ASP 88 CO 0.04 -0.95 0.36 0.00 0.68 0.00 0.00 175.17 175.30 1xo3 n GLN 89 N 0.03 -3.52 -1.61 2.11 3.00 -0.60 -4.89 117.38 111.89 1xo3 n GLN 89 Ca 0.04 0.83 -0.43 0.00 -0.01 0.00 0.00 57.00 57.43 1xo3 n GLN 89 Cb 0.43 -5.59 -0.03 0.00 0.00 0.00 0.00 30.24 25.05 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1xo3 n ASP 90 N -2.27 3.36 -4.42 1.08 8.00 -0.75 -4.83 116.55 116.73 1xo3 n ASP 90 Ca -0.14 0.28 -0.44 0.00 0.71 0.00 0.00 54.79 55.20 1xo3 n ASP 90 Cb 0.62 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xo3 s SER 91 N 7.92 6.43 -0.51 -2.24 0.15 -1.15 0.16 113.70 124.46 1xo3 s SER 91 Ca 1.00 -1.74 -0.22 0.00 0.70 0.00 0.00 55.95 55.69 1xo3 s SER 91 Cb -0.35 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1xo3 s SER 91 CO 0.36 -1.10 0.77 -0.63 1.20 0.00 0.00 173.24 173.84 1xo3 s ILE 92 N 2.68 4.65 -0.22 6.45 -1.09 0.55 -1.88 121.20 132.33 1xo3 s ILE 92 Ca 0.23 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1xo3 s ILE 92 Cb -0.13 -4.38 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1xo3 s ILE 92 CO -0.01 -0.88 -0.12 -0.22 -1.23 0.00 0.00 174.94 172.47 1xo3 s LEU 93 N 3.26 2.77 -0.37 2.97 0.20 -0.74 -1.40 118.68 125.36 1xo3 s LEU 93 Ca 0.24 -0.80 -0.23 0.00 0.69 0.00 0.00 54.13 54.03 1xo3 s LEU 93 Cb -0.15 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 1xo3 s LEU 93 CO 0.17 -0.07 0.78 -0.36 -0.29 0.00 0.00 176.35 176.58 1xo3 s PHE 94 N 1.30 3.10 -0.39 5.38 0.40 -0.86 -1.31 117.98 125.59 1xo3 s PHE 94 Ca 0.01 0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1xo3 s PHE 94 Cb -0.15 -3.43 0.09 0.00 0.51 0.00 0.00 43.02 40.04 1xo3 s PHE 94 CO -0.08 -0.76 0.17 0.42 0.70 0.00 0.00 175.22 175.67 1xo3 s ILE 95 N 3.12 3.34 -0.29 0.64 -1.09 0.15 -1.56 121.20 125.50 1xo3 s ILE 95 Ca 0.31 -1.84 -0.29 0.00 -2.23 0.00 0.00 60.65 56.60 1xo3 s ILE 95 Cb -0.13 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1xo3 s ILE 95 CO 0.18 -0.55 1.26 -0.55 -1.23 0.00 0.00 174.94 174.05 1xo3 s SER 96 N 1.74 6.73 0.00 3.58 0.15 -1.22 0.33 113.70 125.01 1xo3 s SER 96 Ca 0.05 1.21 0.22 0.00 0.70 0.00 0.00 55.95 58.13 1xo3 s SER 96 Cb -0.22 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.07 1xo3 s SER 96 CO -0.03 -1.03 1.45 1.07 1.20 0.00 0.00 173.24 175.91 1xo3 n THR 97 N 6.11 0.62 -1.64 6.45 5.66 0.10 -4.66 114.28 126.93 1xo3 n THR 97 Ca 0.14 -0.76 -0.43 0.00 -3.05 0.00 0.00 64.05 59.96 1xo3 n THR 97 Cb 0.47 0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 69.91 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1xo3 s LEU 98 N -1.30 3.92 -0.56 1.09 1.43 -1.20 -4.92 118.68 117.14 1xo3 s LEU 98 Ca 0.40 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.81 1xo3 s LEU 98 Cb 0.22 -3.52 0.16 0.00 0.03 0.00 0.00 46.19 43.08 1xo3 s LEU 98 CO 0.30 -1.53 0.37 -2.28 0.23 0.00 0.00 176.35 173.45 1xo3 s HIS 99 N 6.46 2.65 0.00 0.29 2.46 -1.26 -4.82 115.29 121.07 1xo3 s HIS 99 Ca 0.95 -2.90 0.00 0.00 0.47 0.00 0.00 55.06 53.58 1xo3 s HIS 99 Cb -0.38 -2.16 0.00 0.00 -0.13 0.00 0.00 32.58 29.91 1xo3 s HIS 99 CO 0.38 -0.68 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 1xo3 n GLY 100 N 2.65 3.02 0.00 1.59 0.00 -1.26 -5.29 105.19 105.90 1xo3 n GLY 100 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93