#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 0.61 0.15 -0.43 0.00 -1.26 -4.79 121.76 116.04 1xo3 s ALA 2 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.72 1xo3 s ALA 2 Cb 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.50 1xo3 s ALA 2 CO 0.00 -0.39 1.71 0.00 0.00 0.00 0.00 175.76 177.08 1xo3 h ALA 3 N 8.15 0.29 -2.84 0.00 0.00 -1.95 -3.31 119.26 119.61 1xo3 h ALA 3 Ca -0.22 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xo3 h ALA 3 Cb 1.13 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xo3 h ALA 3 CO 0.28 -0.40 0.00 -0.35 0.00 0.00 0.00 179.25 178.79 1xo3 n PRO 4 N -5.16 0.00 -3.63 0.00 -0.04 -1.26 -5.00 135.00 119.91 1xo3 n PRO 4 Ca 0.00 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1xo3 n PRO 4 Cb 0.16 -0.97 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.16 0.16 -0.01 1.53 2.34 -1.24 -5.04 118.68 115.25 1xo3 s LEU 5 Ca 0.00 0.17 0.03 0.00 0.06 0.00 0.00 54.13 54.39 1xo3 s LEU 5 Cb 0.00 1.91 -0.01 0.00 -0.56 0.00 0.00 46.19 47.54 1xo3 s LEU 5 CO 0.00 -0.64 -0.10 0.00 -1.06 0.00 0.00 176.35 174.55 1xo3 s VAL 7 N -0.19 2.39 -0.16 0.00 -7.23 -1.08 -0.20 120.40 113.93 1xo3 s VAL 7 Ca 0.03 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1xo3 s VAL 7 Cb -0.04 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1xo3 s VAL 7 CO -0.00 -0.09 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.78 1xo3 s LYS 8 N -2.60 3.14 -0.16 4.82 2.36 0.12 -1.58 119.74 125.85 1xo3 s LYS 8 Ca 0.20 -0.78 -0.04 0.00 -2.55 0.00 0.00 55.97 52.80 1xo3 s LYS 8 Cb -0.08 -2.61 -0.03 0.00 -1.05 0.00 0.00 37.83 34.06 1xo3 s LYS 8 CO 0.10 -0.06 -0.02 0.08 1.55 0.00 0.00 175.35 177.00 1xo3 s VAL 9 N 0.97 4.00 0.16 4.02 1.01 0.38 0.44 120.40 131.37 1xo3 s VAL 9 Ca -0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1xo3 s VAL 9 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1xo3 s VAL 9 CO -0.03 0.48 0.24 -0.70 0.00 0.00 0.00 175.10 175.09 1xo3 s GLU 10 N 0.42 1.12 0.46 2.72 2.12 -0.37 0.10 118.70 125.27 1xo3 s GLU 10 Ca -0.03 -1.24 -0.04 0.00 0.36 0.00 0.00 54.97 54.02 1xo3 s GLU 10 Cb -0.14 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1xo3 s GLU 10 CO 0.03 -0.39 0.74 -0.59 -0.54 0.00 0.00 175.26 174.51 1xo3 s PHE 11 N -3.99 3.52 0.00 5.30 -0.71 -0.94 -1.78 117.98 119.38 1xo3 s PHE 11 Ca 0.19 0.69 0.00 0.00 -1.04 0.00 0.00 56.93 56.77 1xo3 s PHE 11 Cb 0.04 -2.25 0.00 0.00 -1.21 0.00 0.00 43.02 39.60 1xo3 s PHE 11 CO 0.01 -0.24 0.00 0.41 -1.34 0.00 0.00 175.22 174.06 1xo3 n GLY 12 N -2.18 -0.37 2.55 1.99 0.00 -0.04 -4.77 105.19 102.36 1xo3 n GLY 12 Ca -0.00 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.03 5.24 2.57 -0.02 0.00 -0.86 -4.59 105.19 107.51 1xo3 n GLY 13 Ca 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 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 1.70 0.85 0.27 -0.02 0.00 -1.26 -3.45 105.19 103.27 1xo3 n GLY 14 Ca 0.58 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.76 0.00 4.61 0.00 -1.84 -2.87 119.26 119.92 1xo3 h ALA 15 Ca -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1xo3 h ALA 15 Cb 0.84 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xo3 h ALA 15 CO 0.23 0.66 -0.06 1.05 0.00 0.00 0.00 179.25 181.13 1xo3 h GLU 16 N 0.72 0.00 0.00 0.00 4.11 -1.89 0.29 114.58 117.81 1xo3 h GLU 16 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1xo3 h GLU 16 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xo3 h GLU 16 CO 0.07 0.06 0.00 -0.07 0.07 0.00 0.00 179.01 179.14 1xo3 h LEU 17 N 0.00 0.00 0.00 3.06 -0.00 -1.83 0.33 115.31 116.87 1xo3 h LEU 17 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 1xo3 h LEU 17 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1xo3 h LEU 17 CO 0.01 0.00 -0.57 -0.07 -0.00 0.00 0.00 178.44 177.81 1xo3 h LEU 18 N 0.00 0.00 -3.09 1.67 3.38 -1.06 -3.37 115.31 112.85 1xo3 h LEU 18 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xo3 h LEU 18 Cb 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1xo3 h LEU 18 CO 0.00 0.38 -0.57 0.49 0.09 0.00 0.00 178.44 178.82 1xo3 n PHE 19 N -3.11 0.25 -1.01 1.13 3.72 0.83 -1.64 117.46 117.62 1xo3 n PHE 19 Ca 0.01 -1.49 -0.00 0.00 -0.05 0.00 0.00 57.45 55.91 1xo3 n PHE 19 Cb 0.70 -0.25 -0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.96 -4.09 0.00 4.37 2.03 -0.84 -2.86 116.55 114.20 1xo3 n ASP 20 Ca 0.20 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1xo3 n ASP 20 Cb 0.75 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 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 -1.55 0.94 3.74 0.27 0.00 0.63 -5.00 105.19 104.22 1xo3 n GLY 21 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xo3 s VAL 22 N -2.00 4.40 0.00 1.61 0.11 -1.13 -4.97 120.40 118.42 1xo3 s VAL 22 Ca 0.00 2.04 0.00 0.00 -2.93 0.00 0.00 61.98 61.09 1xo3 s VAL 22 Cb 0.00 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1xo3 s VAL 22 CO 0.00 0.37 0.00 0.29 -3.33 0.00 0.00 175.10 172.43 1xo3 n LYS 23 N 2.41 0.00 -3.51 1.54 5.02 -1.26 -4.41 118.16 117.96 1xo3 n LYS 23 Ca 0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1xo3 n LYS 23 Cb 0.49 -0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.41 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 -0.68 4.17 -0.15 1.97 2.20 -1.26 -2.22 119.74 123.77 1xo3 s LYS 24 Ca 0.00 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1xo3 s LYS 24 Cb 0.00 -3.38 0.07 0.00 -1.51 0.00 0.00 37.83 33.01 1xo3 s LYS 24 CO 0.00 0.33 0.15 -1.58 -0.36 0.00 0.00 175.35 173.89 1xo3 s HIS 25 N 0.16 -0.06 -0.22 4.03 2.46 0.29 -4.98 115.29 116.97 1xo3 s HIS 25 Ca 0.19 0.12 -0.13 0.00 0.47 0.00 0.00 55.06 55.71 1xo3 s HIS 25 Cb -0.14 -0.47 -0.04 0.00 -0.13 0.00 0.00 32.58 31.80 1xo3 s HIS 25 CO 0.07 -0.47 0.29 -1.14 -2.47 0.00 0.00 174.74 171.02 1xo3 s GLN 26 N 2.24 4.12 -0.09 2.88 0.74 -1.26 -0.47 119.66 127.81 1xo3 s GLN 26 Ca 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 1xo3 s GLN 26 Cb -0.15 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 1xo3 s GLN 26 CO -0.09 -0.01 -0.05 0.54 -0.55 0.00 0.00 175.29 175.12 1xo3 s VAL 27 N 1.25 3.80 -0.33 1.34 0.11 -0.61 -4.99 120.40 120.97 1xo3 s VAL 27 Ca 0.14 -0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 58.60 1xo3 s VAL 27 Cb -0.14 -2.59 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1xo3 s VAL 27 CO 0.07 0.57 0.42 0.00 -3.33 0.00 0.00 175.10 172.83 1xo3 s ALA 28 N -0.51 3.50 0.25 1.54 0.00 -1.26 -2.63 121.76 122.65 1xo3 s ALA 28 Ca 0.08 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1xo3 s ALA 28 Cb -0.12 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 1xo3 s ALA 28 CO 0.02 -1.04 1.35 -0.51 0.00 0.00 0.00 175.76 175.58 1xo3 s LEU 29 N 2.17 4.41 0.39 0.00 2.01 -1.06 -4.93 118.68 121.68 1xo3 s LEU 29 Ca 0.15 2.57 0.21 0.00 0.01 0.00 0.00 54.13 57.07 1xo3 s LEU 29 Cb -0.16 -3.63 0.65 0.00 0.01 0.00 0.00 46.19 43.06 1xo3 s LEU 29 CO 0.12 -0.58 1.71 -0.65 1.01 0.00 0.00 176.35 177.96 1xo3 h PRO 30 N 4.67 0.00 0.00 1.29 0.11 -1.97 -3.42 132.00 132.69 1xo3 h PRO 30 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.74 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 1xo3 n GLY 31 N 0.47 2.91 0.00 -0.55 0.00 -1.26 -4.82 105.19 101.94 1xo3 n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.99 0.00 0.10 1.61 1.13 -1.26 -4.68 117.38 112.29 1xo3 n GLN 32 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1xo3 n GLN 32 Cb 0.00 -0.22 0.01 0.00 0.11 0.00 0.00 30.24 30.14 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 -0.32 0.58 -3.64 -1.09 4.71 -1.26 -5.00 120.64 114.62 1xo3 n GLU 33 Ca 0.00 0.11 -0.24 0.00 -0.01 0.00 0.00 57.16 57.03 1xo3 n GLU 33 Cb 0.00 -1.81 0.01 0.00 -1.01 0.00 0.00 31.44 28.64 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xo3 n GLU 34 N -2.61 -1.26 -0.48 3.49 1.02 -1.26 -4.86 120.64 114.67 1xo3 n GLU 34 Ca 0.00 0.76 0.02 0.00 -0.02 0.00 0.00 57.16 57.92 1xo3 n GLU 34 Cb 0.54 -3.57 0.20 0.00 -0.02 0.00 0.00 31.44 28.60 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 -3.14 2.93 -1.14 3.49 -0.04 -1.26 -4.23 135.00 131.61 1xo3 n PRO 35 Ca -0.17 -1.64 -0.23 0.00 -0.04 0.00 0.00 63.50 61.42 1xo3 n PRO 35 Cb 0.61 -1.88 0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.27 2.83 -0.60 0.54 5.03 -1.26 -4.70 117.44 119.55 1xo3 n TRP 36 Ca 0.16 -1.87 -0.30 0.00 3.03 0.00 0.00 57.50 58.52 1xo3 n TRP 36 Cb 0.78 -0.95 0.20 0.00 -1.03 0.00 0.00 31.31 30.31 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 -0.97 -0.84 0.18 -0.99 5.68 -1.26 -4.67 116.55 113.68 1xo3 n ASP 37 Ca 0.55 0.14 0.12 0.00 -0.50 0.00 0.00 54.79 55.11 1xo3 n ASP 37 Cb 1.47 -1.34 0.68 0.00 -1.14 0.00 0.00 41.12 40.78 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 -2.23 0.87 0.20 2.12 1.08 -1.59 -1.56 117.51 116.40 1xo3 h ILE 38 Ca -0.51 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1xo3 h ILE 38 Cb 1.30 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1xo3 h ILE 38 CO 0.44 0.00 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.71 1xo3 h ARG 39 N 0.00 -0.26 -0.08 2.37 1.12 -0.51 -1.45 114.38 115.57 1xo3 h ARG 39 Ca 0.08 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.90 1xo3 h ARG 39 Cb 0.32 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 1xo3 h ARG 39 CO -0.00 0.03 -0.26 -0.91 -3.11 0.00 0.00 179.97 175.72 1xo3 h ASN 40 N -0.53 0.14 0.46 -3.80 2.35 -1.61 -1.04 115.58 111.55 1xo3 h ASN 40 Ca -0.03 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.53 1xo3 h ASN 40 Cb 0.40 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1xo3 h ASN 40 CO 0.04 0.41 -0.68 -0.07 -1.65 0.00 0.00 177.43 175.48 1xo3 h LEU 41 N 0.13 0.23 -0.84 1.61 -0.00 -1.29 0.54 115.31 115.69 1xo3 h LEU 41 Ca 0.02 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.73 1xo3 h LEU 41 Cb 0.53 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 1xo3 h LEU 41 CO 0.04 0.84 0.43 0.25 -0.00 0.00 0.00 178.44 179.99 1xo3 h LEU 42 N 0.13 1.08 -0.15 1.67 6.46 -0.41 -0.77 115.31 123.33 1xo3 h LEU 42 Ca -0.02 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1xo3 h LEU 42 Cb 1.22 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1xo3 h LEU 42 CO 0.10 0.90 0.04 0.58 -0.62 0.00 0.00 178.44 179.44 1xo3 h VAL 43 N 1.19 1.20 -0.64 1.05 2.07 -0.61 0.81 116.25 121.32 1xo3 h VAL 43 Ca 0.29 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1xo3 h VAL 43 Cb 0.09 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1xo3 h VAL 43 CO -0.04 0.19 0.31 -0.25 0.02 0.00 0.00 177.57 177.80 1xo3 h TRP 44 N 0.04 0.56 -0.06 1.57 2.91 -0.77 0.25 115.95 120.44 1xo3 h TRP 44 Ca 0.05 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 59.98 1xo3 h TRP 44 Cb 0.26 -0.15 0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1xo3 h TRP 44 CO 0.01 0.22 -0.41 0.82 -1.03 0.00 0.00 178.44 178.04 1xo3 h ILE 45 N 0.56 1.41 0.33 2.65 2.04 -0.83 -2.40 117.51 121.26 1xo3 h ILE 45 Ca 0.30 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1xo3 h ILE 45 Cb 0.28 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1xo3 h ILE 45 CO -0.24 0.53 -0.16 0.50 0.00 0.00 0.00 178.15 178.79 1xo3 h LYS 46 N -0.09 -0.43 -0.00 2.37 3.64 0.89 0.39 116.57 123.34 1xo3 h LYS 46 Ca -0.03 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xo3 h LYS 46 Cb 1.08 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xo3 h LYS 46 CO 0.08 -0.10 -0.00 0.87 -2.27 0.00 0.00 179.45 178.03 1xo3 h LYS 47 N -0.91 0.01 0.10 1.90 1.79 -0.66 -3.07 116.57 115.73 1xo3 h LYS 47 Ca -0.05 -0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.06 1xo3 h LYS 47 Cb 0.52 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1xo3 h LYS 47 CO 0.07 0.42 -2.05 0.09 -1.08 0.00 0.00 179.45 176.90 1xo3 n ASN 48 N -4.89 2.03 -0.03 0.86 3.02 -0.92 -4.54 115.26 110.78 1xo3 n ASN 48 Ca -0.08 0.17 -0.08 0.00 -0.03 0.00 0.00 54.58 54.56 1xo3 n ASN 48 Cb 0.22 -0.75 -0.14 0.00 -0.61 0.00 0.00 39.78 38.50 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 -3.42 0.70 -4.55 3.41 7.94 -0.59 -4.84 117.00 115.64 1xo3 n LEU 49 Ca -0.33 0.33 -0.45 0.00 -1.11 0.00 0.00 56.01 54.45 1xo3 n LEU 49 Cb 1.04 0.23 -0.04 0.00 0.53 0.00 0.00 43.42 45.18 1xo3 n LEU 49 CO 0.41 0.39 1.84 -0.11 -1.11 0.00 0.00 177.39 178.81 1xo3 n LEU 50 N -2.98 2.93 0.12 -1.96 -0.00 0.03 -4.53 117.00 110.61 1xo3 n LEU 50 Ca -0.19 0.26 -0.20 0.00 -0.00 0.00 0.00 56.01 55.87 1xo3 n LEU 50 Cb 1.06 -1.47 -0.15 0.00 -0.00 0.00 0.00 43.42 42.86 1xo3 n LEU 50 CO 0.44 -0.71 -0.18 0.11 -0.00 0.00 0.00 177.39 177.06 1xo3 h LYS 51 N 14.35 0.40 0.00 1.96 1.79 -1.64 -3.47 116.57 129.95 1xo3 h LYS 51 Ca -0.37 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 57.42 1xo3 h LYS 51 Cb 1.26 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1xo3 h LYS 51 CO 0.98 1.32 0.00 -0.85 -1.08 0.00 0.00 179.45 179.81 1xo3 n GLU 52 N -3.61 3.31 -2.62 3.15 0.28 -1.24 -5.05 120.64 114.87 1xo3 n GLU 52 Ca -0.13 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.44 1xo3 n GLU 52 Cb 1.07 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.91 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 3.19 4.45 0.00 3.44 0.52 -1.26 -4.91 118.95 124.37 1xo3 s ARG 53 Ca 0.00 1.50 0.21 0.00 -0.52 0.00 0.00 55.73 56.92 1xo3 s ARG 53 Cb 0.00 -3.50 1.07 0.00 0.52 0.00 0.00 34.95 33.04 1xo3 s ARG 53 CO 0.00 -0.27 1.68 -2.30 0.02 0.00 0.00 175.30 174.43 1xo3 n PRO 54 N 4.64 0.30 -0.15 3.54 -0.02 -1.26 -3.75 135.00 138.30 1xo3 n PRO 54 Ca 0.08 0.08 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1xo3 n PRO 54 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 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 5.08 -1.93 -1.12 114.58 116.68 1xo3 h GLU 55 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xo3 h GLU 55 Cb 0.20 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xo3 h GLU 55 CO 0.00 0.40 -0.10 1.47 -1.00 0.00 0.00 179.01 179.78 1xo3 n LEU 56 N -4.77 0.34 0.00 1.33 -0.00 -1.25 -4.82 117.00 107.84 1xo3 n LEU 56 Ca 0.01 0.11 -0.07 0.00 -0.00 0.00 0.00 56.01 56.06 1xo3 n LEU 56 Cb 0.03 -0.23 0.04 0.00 -0.00 0.00 0.00 43.42 43.26 1xo3 n LEU 56 CO 0.35 0.06 0.20 0.33 -0.00 0.00 0.00 177.39 178.33 1xo3 n PHE 57 N -1.11 -3.65 -1.99 1.47 7.35 -0.42 -4.97 117.46 114.14 1xo3 n PHE 57 Ca 0.13 -0.39 -0.31 0.00 -0.76 0.00 0.00 57.45 56.12 1xo3 n PHE 57 Cb 0.28 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 39.87 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 -1.25 4.57 0.49 -2.13 -4.36 -1.26 -4.75 121.20 112.52 1xo3 s ILE 58 Ca 0.19 0.95 -0.22 0.00 -0.26 0.00 0.00 60.65 61.31 1xo3 s ILE 58 Cb -0.01 -3.77 -0.07 0.00 1.25 0.00 0.00 42.46 39.86 1xo3 s ILE 58 CO 0.13 -0.98 1.19 0.00 0.24 0.00 0.00 174.94 175.52 1xo3 s GLN 59 N -4.84 3.57 -0.76 0.37 1.03 -1.26 -4.69 119.66 113.07 1xo3 s GLN 59 Ca 0.57 1.83 -0.06 0.00 0.04 0.00 0.00 55.36 57.75 1xo3 s GLN 59 Cb -0.11 -2.31 -0.08 0.00 0.03 0.00 0.00 33.01 30.54 1xo3 s GLN 59 CO 0.48 -0.72 2.23 0.41 -2.54 0.00 0.00 175.29 175.15 1xo3 n GLY 60 N 0.46 3.00 2.10 2.60 0.00 -1.26 -3.29 105.19 108.80 1xo3 n GLY 60 Ca 0.09 -0.87 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 3.82 -1.90 0.00 1.61 8.00 -1.26 -5.01 116.55 121.81 1xo3 n ASP 61 Ca 0.43 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.52 1xo3 n ASP 61 Cb 0.23 1.90 0.00 0.00 -0.02 0.00 0.00 41.12 43.24 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 -3.30 0.00 -3.68 -2.24 2.88 -1.21 -3.52 113.62 102.55 1xo3 n SER 62 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1xo3 n SER 62 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.67 0.09 0.69 2.46 -7.23 -1.26 -4.82 120.40 109.66 1xo3 s VAL 63 Ca 0.00 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 1xo3 s VAL 63 Cb 0.00 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.76 1xo3 s VAL 63 CO 0.00 -0.39 1.06 0.00 -0.31 0.00 0.00 175.10 175.46 1xo3 s ARG 64 N -3.82 2.72 0.63 4.82 1.70 -1.26 -4.17 118.95 119.57 1xo3 s ARG 64 Ca 0.03 0.27 0.34 0.00 -0.47 0.00 0.00 55.73 55.90 1xo3 s ARG 64 Cb 0.03 -2.08 1.92 0.00 -0.57 0.00 0.00 34.95 34.25 1xo3 s ARG 64 CO -0.12 -1.05 2.18 -1.35 -1.08 0.00 0.00 175.30 173.89 1xo3 h PRO 65 N -0.60 0.00 0.14 3.89 0.11 -2.01 -2.89 132.00 130.65 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xo3 h PRO 65 CO 0.63 0.00 -0.07 0.78 -0.21 0.00 0.00 178.00 179.13 1xo3 h GLY 66 N 0.00 -0.20 -6.35 -0.55 0.00 -1.96 -3.43 103.07 90.59 1xo3 h GLY 66 Ca 0.03 0.07 -0.60 0.00 0.00 0.00 0.00 47.33 46.84 1xo3 h GLY 66 CO -0.00 -0.07 -0.44 -0.42 0.00 0.00 0.00 176.54 175.61 1xo3 s ILE 67 N -4.64 5.36 -0.15 2.60 1.01 -1.09 -1.28 121.20 123.02 1xo3 s ILE 67 Ca -0.15 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 1xo3 s ILE 67 Cb 0.02 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1xo3 s ILE 67 CO 0.61 0.40 -0.01 -0.76 0.00 0.00 0.00 174.94 175.17 1xo3 s LEU 68 N 0.58 3.41 0.04 2.97 1.43 0.17 -4.19 118.68 123.09 1xo3 s LEU 68 Ca 0.11 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1xo3 s LEU 68 Cb -0.12 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1xo3 s LEU 68 CO 0.01 0.21 -0.07 0.68 0.23 0.00 0.00 176.35 177.41 1xo3 s VAL 69 N 0.14 3.61 -0.21 -1.59 -7.23 -1.25 0.39 120.40 114.25 1xo3 s VAL 69 Ca 0.00 -0.92 -0.18 0.00 -1.81 0.00 0.00 61.98 59.07 1xo3 s VAL 69 Cb -0.13 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1xo3 s VAL 69 CO 0.02 0.30 0.52 -0.76 -0.31 0.00 0.00 175.10 174.87 1xo3 s LEU 70 N -1.70 4.13 -0.51 1.32 1.43 -0.35 -2.74 118.68 120.27 1xo3 s LEU 70 Ca 0.19 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.71 1xo3 s LEU 70 Cb -0.11 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.44 1xo3 s LEU 70 CO 0.10 -0.21 0.80 -0.63 0.23 0.00 0.00 176.35 176.65 1xo3 s ILE 71 N 1.80 4.60 0.00 -0.59 -1.09 0.65 -1.83 121.20 124.74 1xo3 s ILE 71 Ca 0.24 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1xo3 s ILE 71 Cb -0.15 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1xo3 s ILE 71 CO 0.09 -0.90 0.00 0.59 -1.23 0.00 0.00 174.94 173.49 1xo3 n ASN 72 N 6.87 0.00 0.00 3.58 4.13 -0.69 -1.68 115.26 127.48 1xo3 n ASN 72 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1xo3 n ASN 72 Cb 0.47 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 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 3.12 0.00 -4.18 6.41 2.03 -1.26 -3.11 116.55 119.56 1xo3 n ASP 73 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1xo3 n ASP 73 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 1.04 -0.20 -1.67 0.00 -0.67 -5.03 121.76 115.22 1xo3 s ALA 74 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 51.96 50.08 1xo3 s ALA 74 Cb 0.00 1.15 -0.05 0.00 0.00 0.00 0.00 23.12 24.22 1xo3 s ALA 74 CO 0.00 -0.54 2.21 -0.25 0.00 0.00 0.00 175.76 177.18 1xo3 n ASP 75 N -0.19 3.32 -0.28 0.00 9.92 -1.26 -0.26 116.55 127.80 1xo3 n ASP 75 Ca -0.01 0.24 0.10 0.00 -0.53 0.00 0.00 54.79 54.58 1xo3 n ASP 75 Cb 0.65 -1.56 0.25 0.00 -0.64 0.00 0.00 41.12 39.83 1xo3 n ASP 75 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1xo3 h TRP 76 N 14.88 0.42 0.00 1.24 0.09 -1.85 -1.96 115.95 128.78 1xo3 h TRP 76 Ca -0.42 0.04 -0.04 0.00 0.09 0.00 0.00 58.89 58.57 1xo3 h TRP 76 Cb 1.24 -0.05 -0.01 0.00 0.08 0.00 0.00 29.16 30.42 1xo3 h TRP 76 CO 0.94 -0.11 -0.20 1.05 0.09 0.00 0.00 178.44 180.21 1xo3 h GLU 77 N 0.30 0.00 -0.00 0.12 4.11 -1.88 0.06 114.58 117.28 1xo3 h GLU 77 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1xo3 h GLU 77 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xo3 h GLU 77 CO -0.56 0.20 -0.44 1.28 0.07 0.00 0.00 179.01 179.56 1xo3 n LEU 78 N -4.24 0.77 -0.07 3.06 4.77 -0.75 -4.16 117.00 116.38 1xo3 n LEU 78 Ca -0.02 -0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.74 1xo3 n LEU 78 Cb 0.26 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1xo3 n LEU 78 CO 0.36 0.16 -0.97 0.18 -1.33 0.00 0.00 177.39 175.80 1xo3 n LEU 79 N -1.14 0.03 0.00 2.23 4.32 -0.28 -5.01 117.00 117.15 1xo3 n LEU 79 Ca 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1xo3 n LEU 79 Cb 0.34 0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1xo3 n LEU 79 CO 0.32 0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.46 1xo3 n GLY 80 N 2.12 0.93 7.00 -0.72 0.00 -0.28 -5.08 105.19 109.17 1xo3 n GLY 80 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.15 -3.27 120.64 118.73 1xo3 n GLU 81 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 1xo3 n GLU 81 Cb 0.00 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.95 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 -0.53 -4.35 -1.84 -0.00 -1.26 -2.75 117.00 106.28 1xo3 n LEU 82 Ca 0.00 1.73 -0.45 0.00 -0.00 0.00 0.00 56.01 57.29 1xo3 n LEU 82 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1xo3 n LEU 82 CO 0.00 -1.59 0.95 -0.67 -0.00 0.00 0.00 177.39 176.07 1xo3 n ASP 83 N -5.53 5.50 -4.61 1.45 2.03 -1.20 -0.05 116.55 114.14 1xo3 n ASP 83 Ca 0.12 -3.04 -0.34 0.00 0.52 0.00 0.00 54.79 52.05 1xo3 n ASP 83 Cb 0.44 -1.42 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1xo3 s TYR 84 N -0.76 3.03 -1.04 -0.67 2.02 -1.11 -4.94 117.35 113.89 1xo3 s TYR 84 Ca 0.34 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.11 1xo3 s TYR 84 Cb -0.08 -1.78 0.22 0.00 -0.40 0.00 0.00 41.96 39.93 1xo3 s TYR 84 CO -0.05 0.32 0.91 0.00 -1.57 0.00 0.00 175.55 175.16 1xo3 n GLN 85 N 2.41 1.98 -1.57 -0.62 0.00 -1.26 -4.01 117.38 114.30 1xo3 n GLN 85 Ca -0.18 -0.86 0.00 0.00 0.00 0.00 0.00 57.00 55.96 1xo3 n GLN 85 Cb 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.17 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 0.16 -1.74 0.00 2.61 7.99 -1.26 -4.98 117.00 119.78 1xo3 n LEU 86 Ca 0.08 2.87 -0.04 0.00 -0.01 0.00 0.00 56.01 58.91 1xo3 n LEU 86 Cb 0.45 -3.11 -0.01 0.00 -0.11 0.00 0.00 43.42 40.64 1xo3 n LEU 86 CO 0.08 -0.66 -0.01 0.00 -1.51 0.00 0.00 177.39 175.29 1xo3 n GLN 87 N -2.40 1.65 -3.71 3.23 3.00 -1.26 -5.12 117.38 112.77 1xo3 n GLN 87 Ca 0.00 -0.47 -0.35 0.00 -0.01 0.00 0.00 57.00 56.16 1xo3 n GLN 87 Cb 0.42 0.10 -0.08 0.00 0.00 0.00 0.00 30.24 30.68 1xo3 n GLN 87 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1xo3 s ASP 88 N -1.39 6.27 -1.12 1.08 -4.77 -1.26 -4.19 116.67 111.29 1xo3 s ASP 88 Ca 0.02 0.30 0.00 0.00 -3.30 0.00 0.00 52.55 49.57 1xo3 s ASP 88 Cb -0.00 -2.10 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 1xo3 s ASP 88 CO 0.01 0.19 0.00 0.00 0.70 0.00 0.00 175.17 176.07 1xo3 n GLN 89 N 3.35 -0.89 -1.68 2.11 1.13 0.72 -4.94 117.38 117.18 1xo3 n GLN 89 Ca -0.16 0.73 -0.45 0.00 -1.94 0.00 0.00 57.00 55.18 1xo3 n GLN 89 Cb 0.52 -4.82 -0.04 0.00 0.11 0.00 0.00 30.24 26.02 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xo3 n ASP 90 N -0.11 3.76 -4.38 1.08 8.00 -1.26 -4.75 116.55 118.89 1xo3 n ASP 90 Ca -0.13 0.97 -0.45 0.00 0.71 0.00 0.00 54.79 55.89 1xo3 n ASP 90 Cb 0.51 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.11 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xo3 s SER 91 N 3.41 6.39 -0.45 -2.24 0.01 -1.18 0.16 113.70 119.80 1xo3 s SER 91 Ca 0.87 -1.81 -0.21 0.00 1.31 0.00 0.00 55.95 56.11 1xo3 s SER 91 Cb -0.57 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.39 1xo3 s SER 91 CO 0.44 -0.99 0.68 -0.63 0.41 0.00 0.00 173.24 173.14 1xo3 s ILE 92 N 2.16 4.78 -0.15 1.44 -1.09 0.17 -1.71 121.20 126.81 1xo3 s ILE 92 Ca 0.17 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1xo3 s ILE 92 Cb -0.18 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.47 1xo3 s ILE 92 CO 0.00 -0.67 -0.15 -0.22 -1.23 0.00 0.00 174.94 172.68 1xo3 s LEU 93 N 2.94 1.74 -0.36 2.97 0.20 -0.76 -1.23 118.68 124.17 1xo3 s LEU 93 Ca 0.23 -0.50 -0.25 0.00 0.69 0.00 0.00 54.13 54.30 1xo3 s LEU 93 Cb -0.14 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.42 1xo3 s LEU 93 CO 0.19 -0.05 0.90 -0.36 -0.29 0.00 0.00 176.35 176.75 1xo3 s PHE 94 N 1.45 3.09 -0.34 5.38 0.40 -0.73 -1.21 117.98 126.02 1xo3 s PHE 94 Ca 0.05 0.76 0.01 0.00 -0.60 0.00 0.00 56.93 57.14 1xo3 s PHE 94 Cb -0.13 -3.59 0.08 0.00 0.51 0.00 0.00 43.02 39.89 1xo3 s PHE 94 CO -0.11 -0.80 0.05 0.42 0.70 0.00 0.00 175.22 175.49 1xo3 s ILE 95 N 3.40 2.70 -0.29 0.64 -1.09 0.16 -0.86 121.20 125.85 1xo3 s ILE 95 Ca 0.37 -1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 56.57 1xo3 s ILE 95 Cb -0.12 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1xo3 s ILE 95 CO 0.18 -0.42 1.23 -0.55 -1.23 0.00 0.00 174.94 174.16 1xo3 s SER 96 N 1.26 6.77 0.00 3.58 0.15 -1.22 0.45 113.70 124.70 1xo3 s SER 96 Ca 0.03 1.20 0.21 0.00 0.70 0.00 0.00 55.95 58.10 1xo3 s SER 96 Cb -0.20 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.16 1xo3 s SER 96 CO -0.05 -1.00 1.47 1.07 1.20 0.00 0.00 173.24 175.94 1xo3 n THR 97 N 6.04 0.33 -2.84 6.45 5.66 -0.41 -4.63 114.28 124.89 1xo3 n THR 97 Ca 0.14 -0.51 -0.41 0.00 -3.05 0.00 0.00 64.05 60.21 1xo3 n THR 97 Cb 0.47 0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 69.84 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 -1.52 4.26 -0.01 1.09 1.43 -1.25 -4.98 118.68 117.70 1xo3 s LEU 98 Ca 0.34 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1xo3 s LEU 98 Cb 0.19 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1xo3 s LEU 98 CO 0.28 -0.32 0.45 0.45 0.23 0.00 0.00 176.35 177.44 1xo3 h HIS 99 N 7.04 -0.12 0.00 0.29 3.86 -1.97 -3.45 115.15 120.80 1xo3 h HIS 99 Ca -0.35 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.76 1xo3 h HIS 99 Cb 1.17 0.04 -0.11 0.00 1.06 0.00 0.00 27.41 29.57 1xo3 h HIS 99 CO 0.69 -0.07 -0.26 0.41 0.86 0.00 0.00 177.93 179.56 1xo3 n GLY 100 N 0.71 0.65 0.00 2.45 0.00 -1.26 -5.19 105.19 102.55 1xo3 n GLY 100 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93