#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 1.02 -0.02 7.33 0.00 -1.26 -4.83 121.76 123.99 1xo3 s ALA 2 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 1xo3 s ALA 2 Cb 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 23.12 22.88 1xo3 s ALA 2 CO 0.00 0.13 1.08 0.00 0.00 0.00 0.00 175.76 176.96 1xo3 h ALA 3 N 4.42 -0.25 0.06 0.00 0.00 -1.82 -3.40 119.26 118.27 1xo3 h ALA 3 Ca -0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xo3 h ALA 3 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xo3 h ALA 3 CO 0.41 -0.39 -0.03 -1.00 0.00 0.00 0.00 179.25 178.24 1xo3 h PRO 4 N -0.75 -0.07 -2.94 0.00 0.13 -1.82 -3.49 132.00 123.06 1xo3 h PRO 4 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 1xo3 h PRO 4 Cb 0.51 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.49 1xo3 h PRO 4 CO 0.04 -0.05 -0.04 -0.48 -0.23 0.00 0.00 178.00 177.24 1xo3 s LEU 5 N -4.62 0.20 -0.03 1.56 0.05 -1.26 -4.96 118.68 109.61 1xo3 s LEU 5 Ca -0.01 0.06 0.06 0.00 0.05 0.00 0.00 54.13 54.29 1xo3 s LEU 5 Cb 0.00 1.91 -0.01 0.00 -2.05 0.00 0.00 46.19 46.04 1xo3 s LEU 5 CO 0.03 -0.70 -0.23 0.00 -0.55 0.00 0.00 176.35 174.90 1xo3 s VAL 7 N -0.34 2.02 -0.26 0.00 -7.23 -1.12 -0.56 120.40 112.92 1xo3 s VAL 7 Ca 0.03 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 1xo3 s VAL 7 Cb -0.11 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1xo3 s VAL 7 CO 0.01 0.50 0.17 -0.75 -0.31 0.00 0.00 175.10 174.72 1xo3 s LYS 8 N -0.78 3.99 -0.21 4.82 2.20 -0.09 -2.89 119.74 126.77 1xo3 s LYS 8 Ca 0.10 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1xo3 s LYS 8 Cb -0.10 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1xo3 s LYS 8 CO -0.00 -0.07 0.01 0.08 -0.36 0.00 0.00 175.35 175.01 1xo3 s VAL 9 N 1.44 3.97 0.07 4.02 1.01 -0.75 0.58 120.40 130.73 1xo3 s VAL 9 Ca 0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1xo3 s VAL 9 Cb -0.15 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1xo3 s VAL 9 CO 0.08 0.41 0.12 -0.70 0.00 0.00 0.00 175.10 175.01 1xo3 s GLU 10 N 1.15 0.74 -0.08 2.72 2.12 0.02 0.65 118.70 126.02 1xo3 s GLU 10 Ca 0.03 -0.97 0.02 0.00 0.36 0.00 0.00 54.97 54.40 1xo3 s GLU 10 Cb -0.14 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 1xo3 s GLU 10 CO 0.02 -0.21 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.35 1xo3 s PHE 11 N -3.62 2.79 0.00 5.30 0.08 -0.97 -0.78 117.98 120.78 1xo3 s PHE 11 Ca 0.03 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1xo3 s PHE 11 Cb 0.04 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1xo3 s PHE 11 CO -0.09 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 1xo3 n GLY 12 N 2.70 0.00 2.22 4.36 0.00 0.21 -4.65 105.19 110.03 1xo3 n GLY 12 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 2.15 2.76 2.65 -0.02 0.00 -1.04 -4.35 105.19 107.33 1xo3 n GLY 13 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 2.89 1.22 0.15 -0.02 0.00 -1.26 -3.45 105.19 104.72 1xo3 n GLY 14 Ca 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.03 4.61 0.00 -1.85 -3.07 119.26 119.71 1xo3 h ALA 15 Ca -0.25 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.06 1xo3 h ALA 15 Cb 1.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xo3 h ALA 15 CO 0.37 0.81 0.03 1.05 0.00 0.00 0.00 179.25 181.50 1xo3 h GLU 16 N 0.11 0.00 0.00 0.00 4.11 -1.83 0.12 114.58 117.08 1xo3 h GLU 16 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1xo3 h GLU 16 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xo3 h GLU 16 CO 0.10 0.00 -0.00 -0.07 0.07 0.00 0.00 179.01 179.11 1xo3 h LEU 17 N 0.00 0.00 -0.86 3.06 3.38 -1.85 0.31 115.31 119.35 1xo3 h LEU 17 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xo3 h LEU 17 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xo3 h LEU 17 CO -0.00 0.00 -0.10 -0.07 0.09 0.00 0.00 178.44 178.37 1xo3 h LEU 18 N 0.00 0.00 -2.97 1.67 3.38 -0.96 -3.09 115.31 113.34 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xo3 h LEU 18 CO 0.00 0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.12 1xo3 n PHE 19 N -3.18 0.14 -2.67 1.13 3.72 0.49 -1.03 117.46 116.06 1xo3 n PHE 19 Ca 0.01 -0.52 -0.06 0.00 -0.05 0.00 0.00 57.45 56.84 1xo3 n PHE 19 Cb 0.43 -0.05 0.03 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 -0.26 -5.66 -1.31 4.37 2.03 0.04 -3.90 116.55 111.87 1xo3 n ASP 20 Ca 0.04 -0.28 -0.16 0.00 0.52 0.00 0.00 54.79 54.91 1xo3 n ASP 20 Cb 0.32 -3.92 -0.06 0.00 -0.72 0.00 0.00 41.12 36.74 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 -1.42 1.32 3.60 0.27 0.00 0.78 -4.95 105.19 104.78 1xo3 n GLY 21 Ca -0.03 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.62 5.29 0.02 1.61 1.01 -1.21 -4.95 120.40 119.55 1xo3 s VAL 22 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1xo3 s VAL 22 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1xo3 s VAL 22 CO 0.00 0.24 0.00 2.29 0.00 0.00 0.00 175.10 177.63 1xo3 n LYS 23 N 5.05 0.00 -2.81 2.72 2.85 -1.26 -4.38 118.16 120.33 1xo3 n LYS 23 Ca -0.13 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.71 1xo3 n LYS 23 Cb 0.52 -0.10 -0.03 0.00 -0.65 0.00 0.00 35.03 34.76 1xo3 n LYS 23 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1xo3 s LYS 24 N -1.22 4.23 -0.14 -1.58 2.20 -1.26 -2.29 119.74 119.68 1xo3 s LYS 24 Ca 0.00 1.09 -0.02 0.00 -0.36 0.00 0.00 55.97 56.69 1xo3 s LYS 24 Cb 0.00 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1xo3 s LYS 24 CO 0.00 -0.52 0.00 -1.58 -0.36 0.00 0.00 175.35 172.89 1xo3 s HIS 25 N 2.84 1.02 -0.26 4.03 2.46 0.21 -4.99 115.29 120.61 1xo3 s HIS 25 Ca 0.38 -0.64 -0.11 0.00 0.47 0.00 0.00 55.06 55.16 1xo3 s HIS 25 Cb -0.15 -1.00 -0.05 0.00 -0.13 0.00 0.00 32.58 31.25 1xo3 s HIS 25 CO 0.08 -0.51 0.21 -1.14 -2.47 0.00 0.00 174.74 170.91 1xo3 s GLN 26 N 1.86 4.01 -0.07 2.88 0.74 -1.26 -1.81 119.66 126.00 1xo3 s GLN 26 Ca 0.02 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1xo3 s GLN 26 Cb -0.15 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 1xo3 s GLN 26 CO -0.07 -0.10 -0.10 0.54 -0.55 0.00 0.00 175.29 175.01 1xo3 s VAL 27 N 1.52 3.39 -0.12 1.34 0.11 -1.14 -5.01 120.40 120.49 1xo3 s VAL 27 Ca 0.09 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 1xo3 s VAL 27 Cb -0.15 -2.37 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 1xo3 s VAL 27 CO 0.08 0.59 -0.02 0.00 -3.33 0.00 0.00 175.10 172.42 1xo3 s ALA 28 N -0.63 3.15 0.25 1.54 0.00 -1.26 -2.77 121.76 122.03 1xo3 s ALA 28 Ca 0.09 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 1xo3 s ALA 28 Cb -0.11 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.40 1xo3 s ALA 28 CO 0.01 0.41 0.86 -0.51 0.00 0.00 0.00 175.76 176.53 1xo3 s LEU 29 N -0.28 4.47 0.02 0.00 2.01 -1.00 -4.94 118.68 118.96 1xo3 s LEU 29 Ca 0.06 1.73 -0.25 0.00 0.01 0.00 0.00 54.13 55.68 1xo3 s LEU 29 Cb -0.12 -3.66 -0.18 0.00 0.01 0.00 0.00 46.19 42.24 1xo3 s LEU 29 CO 0.02 0.07 1.43 -0.65 1.01 0.00 0.00 176.35 178.23 1xo3 h PRO 30 N 3.72 -0.11 0.00 1.29 0.11 -1.98 -3.36 132.00 131.67 1xo3 h PRO 30 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xo3 h PRO 30 Cb 1.20 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xo3 h PRO 30 CO 0.66 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 1xo3 n GLY 31 N -0.37 1.67 3.47 -0.55 0.00 -1.26 -4.61 105.19 103.54 1xo3 n GLY 31 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1xo3 n GLY 31 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xo3 s GLN 32 N -0.06 0.54 0.00 1.61 -2.07 -1.26 -4.95 119.66 113.47 1xo3 s GLN 32 Ca 0.00 1.23 0.00 0.00 -1.82 0.00 0.00 55.36 54.77 1xo3 s GLN 32 Cb 0.00 0.73 0.00 0.00 -1.09 0.00 0.00 33.01 32.65 1xo3 s GLN 32 CO 0.00 -0.30 0.00 0.39 -1.32 0.00 0.00 175.29 174.06 1xo3 n GLU 33 N 5.40 0.00 -2.68 9.60 1.02 -1.26 -4.58 120.64 128.13 1xo3 n GLU 33 Ca -0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1xo3 n GLU 33 Cb 0.50 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xo3 n GLU 34 N 0.00 -3.12 -0.38 3.49 -0.58 -1.26 -4.91 120.64 113.88 1xo3 n GLU 34 Ca 0.00 2.56 0.06 0.00 -0.42 0.00 0.00 57.16 59.36 1xo3 n GLU 34 Cb 0.00 -5.25 0.22 0.00 -0.57 0.00 0.00 31.44 25.84 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1xo3 n PRO 35 N 0.46 2.68 -1.15 3.49 -0.04 -1.26 -4.25 135.00 134.93 1xo3 n PRO 35 Ca 0.02 -1.77 -0.20 0.00 -0.04 0.00 0.00 63.50 61.51 1xo3 n PRO 35 Cb 0.09 -1.64 0.20 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.63 2.85 -0.90 0.54 5.03 -1.26 -4.80 117.44 119.54 1xo3 n TRP 36 Ca 0.16 -1.67 -0.33 0.00 3.03 0.00 0.00 57.50 58.69 1xo3 n TRP 36 Cb 0.59 -0.87 0.13 0.00 -1.03 0.00 0.00 31.31 30.13 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 -0.89 -0.34 -0.22 -0.99 9.92 -1.26 -4.61 116.55 118.15 1xo3 n ASP 37 Ca 0.54 0.46 0.07 0.00 -0.53 0.00 0.00 54.79 55.34 1xo3 n ASP 37 Cb 1.58 -1.38 0.34 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.35 0.98 -0.71 0.53 1.08 -1.64 0.03 117.51 116.42 1xo3 h ILE 38 Ca -0.44 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1xo3 h ILE 38 Cb 1.29 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1xo3 h ILE 38 CO 0.41 0.14 0.43 0.08 -0.69 0.00 0.00 178.15 178.52 1xo3 h ARG 39 N 0.78 0.96 -0.04 2.37 -0.00 -0.71 0.11 114.38 117.85 1xo3 h ARG 39 Ca 0.36 -0.08 -0.25 0.00 -0.00 0.00 0.00 59.98 60.00 1xo3 h ARG 39 Cb 0.36 -0.21 0.02 0.00 -0.00 0.00 0.00 29.97 30.14 1xo3 h ARG 39 CO -0.13 0.67 -0.96 -0.91 -0.00 0.00 0.00 179.97 178.64 1xo3 h ASN 40 N 0.98 0.87 0.18 0.08 2.35 -1.29 -3.02 115.58 115.72 1xo3 h ASN 40 Ca 0.26 -0.66 -0.10 0.00 -0.55 0.00 0.00 56.30 55.25 1xo3 h ASN 40 Cb -0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1xo3 h ASN 40 CO -0.05 1.46 -0.37 -0.07 -1.65 0.00 0.00 177.43 176.75 1xo3 h LEU 41 N 0.41 0.28 -0.65 1.61 -0.00 -1.03 -1.47 115.31 114.45 1xo3 h LEU 41 Ca -0.10 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.72 1xo3 h LEU 41 Cb 1.61 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 42.14 1xo3 h LEU 41 CO 0.19 0.63 0.37 0.25 -0.00 0.00 0.00 178.44 179.88 1xo3 h LEU 42 N 0.23 0.56 -0.46 1.67 6.46 -0.77 0.17 115.31 123.17 1xo3 h LEU 42 Ca 0.02 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1xo3 h LEU 42 Cb 0.77 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1xo3 h LEU 42 CO 0.06 0.37 0.13 0.58 -0.62 0.00 0.00 178.44 178.96 1xo3 h VAL 43 N 0.70 1.23 -0.59 1.05 2.07 -1.26 0.63 116.25 120.08 1xo3 h VAL 43 Ca 0.29 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1xo3 h VAL 43 Cb 0.15 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1xo3 h VAL 43 CO -0.16 0.28 0.32 -0.25 0.02 0.00 0.00 177.57 177.77 1xo3 h TRP 44 N 0.60 0.58 -0.16 1.57 2.91 -0.82 0.34 115.95 120.98 1xo3 h TRP 44 Ca 0.15 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 1xo3 h TRP 44 Cb 0.29 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1xo3 h TRP 44 CO 0.02 0.29 0.00 0.82 -1.03 0.00 0.00 178.44 178.53 1xo3 h ILE 45 N 0.60 1.25 0.31 2.65 2.04 -0.15 -1.41 117.51 122.81 1xo3 h ILE 45 Ca 0.26 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1xo3 h ILE 45 Cb 0.15 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1xo3 h ILE 45 CO -0.17 0.25 -0.15 0.11 0.00 0.00 0.00 178.15 178.19 1xo3 h LYS 46 N 0.03 -0.40 0.00 2.37 1.57 0.66 0.24 116.57 121.04 1xo3 h LYS 46 Ca 0.05 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1xo3 h LYS 46 Cb 0.37 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1xo3 h LYS 46 CO 0.01 -0.12 -0.75 0.87 -0.57 0.00 0.00 179.45 178.89 1xo3 h LYS 47 N -0.66 0.00 0.00 3.15 1.57 -0.42 -3.02 116.57 117.19 1xo3 h LYS 47 Ca -0.04 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 1xo3 h LYS 47 Cb 0.47 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 1xo3 h LYS 47 CO 0.07 0.56 -2.22 -1.71 -0.57 0.00 0.00 179.45 175.58 1xo3 n ASN 48 N -3.20 2.24 -0.03 0.86 5.15 -0.54 -4.74 115.26 115.01 1xo3 n ASN 48 Ca -0.00 -0.11 -0.19 0.00 -0.60 0.00 0.00 54.58 53.68 1xo3 n ASN 48 Cb 0.79 -0.26 -0.14 0.00 -0.53 0.00 0.00 39.78 39.65 1xo3 n ASN 48 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1xo3 n LEU 49 N -3.10 2.38 -4.62 1.20 4.77 -0.07 -4.88 117.00 112.68 1xo3 n LEU 49 Ca -0.37 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1xo3 n LEU 49 Cb 0.91 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1xo3 n LEU 49 CO 0.22 0.80 1.73 -0.22 -1.33 0.00 0.00 177.39 178.59 1xo3 s LEU 50 N -6.77 3.79 -0.04 2.23 1.98 -0.36 -4.38 118.68 115.13 1xo3 s LEU 50 Ca -0.22 2.10 -0.09 0.00 -2.89 0.00 0.00 54.13 53.03 1xo3 s LEU 50 Cb 0.07 -3.52 -0.30 0.00 0.66 0.00 0.00 46.19 43.10 1xo3 s LEU 50 CO 0.75 -1.62 0.70 0.11 -1.89 0.00 0.00 176.35 174.39 1xo3 h LYS 51 N 13.30 0.36 0.00 1.98 1.79 -1.41 -3.47 116.57 129.11 1xo3 h LYS 51 Ca -0.43 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 57.43 1xo3 h LYS 51 Cb 1.23 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 1xo3 h LYS 51 CO 0.96 1.26 0.00 -0.85 -1.08 0.00 0.00 179.45 179.74 1xo3 n GLU 52 N -3.55 2.81 -2.42 3.15 0.28 -1.25 -5.03 120.64 114.64 1xo3 n GLU 52 Ca -0.23 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.34 1xo3 n GLU 52 Cb 1.07 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.92 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 2.55 4.23 0.00 3.44 3.03 -1.26 -4.90 118.95 126.04 1xo3 s ARG 53 Ca 0.00 1.67 0.19 0.00 2.03 0.00 0.00 55.73 59.62 1xo3 s ARG 53 Cb 0.00 -3.76 1.03 0.00 -1.03 0.00 0.00 34.95 31.19 1xo3 s ARG 53 CO 0.00 -0.70 1.58 -2.30 -1.13 0.00 0.00 175.30 172.75 1xo3 n PRO 54 N 6.58 0.39 0.24 3.89 -0.02 -1.26 -3.44 135.00 141.38 1xo3 n PRO 54 Ca 0.14 0.07 0.15 0.00 -2.02 0.00 0.00 63.50 61.84 1xo3 n PRO 54 Cb 0.45 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.00 -0.02 -0.52 5.08 -1.93 -0.21 114.58 116.98 1xo3 h GLU 55 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xo3 h GLU 55 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xo3 h GLU 55 CO 0.00 0.00 -0.09 1.47 -1.00 0.00 0.00 179.01 179.39 1xo3 n LEU 56 N -2.95 2.09 0.00 1.33 -0.00 -1.22 -4.93 117.00 111.32 1xo3 n LEU 56 Ca 0.02 -0.70 0.00 0.00 -0.00 0.00 0.00 56.01 55.33 1xo3 n LEU 56 Cb 0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1xo3 n LEU 56 CO 0.29 0.36 0.00 0.33 -0.00 0.00 0.00 177.39 178.36 1xo3 n PHE 57 N 0.52 -2.71 -1.80 1.47 7.35 -0.09 -5.02 117.46 117.17 1xo3 n PHE 57 Ca 0.15 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.54 1xo3 n PHE 57 Cb 0.46 0.00 0.04 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 0.65 3.89 0.58 -2.13 -4.36 -1.26 -4.83 121.20 113.75 1xo3 s ILE 58 Ca 0.00 0.61 -0.20 0.00 -0.26 0.00 0.00 60.65 60.81 1xo3 s ILE 58 Cb 0.00 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.13 1xo3 s ILE 58 CO 0.00 -0.80 1.27 0.00 0.24 0.00 0.00 174.94 175.65 1xo3 s GLN 59 N -5.24 2.97 -0.51 0.37 -2.07 -1.26 -4.81 119.66 109.11 1xo3 s GLN 59 Ca 0.57 2.01 -0.05 0.00 -1.82 0.00 0.00 55.36 56.08 1xo3 s GLN 59 Cb -0.12 -2.04 -0.10 0.00 -1.09 0.00 0.00 33.01 29.66 1xo3 s GLN 59 CO 0.53 -1.25 2.23 0.41 -1.32 0.00 0.00 175.29 175.89 1xo3 n GLY 60 N 0.68 2.71 2.01 2.60 0.00 -1.26 -3.58 105.19 108.34 1xo3 n GLY 60 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 3.49 -0.22 0.03 1.61 8.00 -1.26 -5.05 116.55 123.16 1xo3 n ASP 61 Ca 0.36 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1xo3 n ASP 61 Cb 0.32 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -2.69 -0.02 -3.53 -2.24 2.88 -1.24 -3.63 113.62 103.16 1xo3 n SER 62 Ca 0.00 0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.55 1xo3 n SER 62 Cb 0.00 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.24 0.00 0.69 2.46 -7.23 -1.26 -4.84 120.40 108.99 1xo3 s VAL 63 Ca 0.00 -0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1xo3 s VAL 63 Cb 0.00 -1.23 0.08 0.00 0.56 0.00 0.00 36.38 35.79 1xo3 s VAL 63 CO 0.00 0.00 0.97 0.00 -0.31 0.00 0.00 175.10 175.76 1xo3 s ARG 64 N -3.67 2.02 0.63 4.82 1.70 -1.24 -4.36 118.95 118.86 1xo3 s ARG 64 Ca 0.04 -0.62 0.35 0.00 -0.47 0.00 0.00 55.73 55.03 1xo3 s ARG 64 Cb -0.02 -2.26 1.99 0.00 -0.57 0.00 0.00 34.95 34.09 1xo3 s ARG 64 CO -0.08 -1.26 2.22 -1.00 -1.08 0.00 0.00 175.30 174.10 1xo3 h PRO 65 N -0.50 0.00 0.33 3.89 0.13 -2.02 -3.07 132.00 130.76 1xo3 h PRO 65 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1xo3 h PRO 65 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1xo3 h PRO 65 CO 0.51 0.00 -0.16 0.78 -0.23 0.00 0.00 178.00 178.90 1xo3 h GLY 66 N 0.00 -0.47 -6.10 1.56 0.00 -1.95 -3.43 103.07 92.68 1xo3 h GLY 66 Ca 0.02 0.17 -0.60 0.00 0.00 0.00 0.00 47.33 46.93 1xo3 h GLY 66 CO -0.00 -0.17 -0.01 -0.42 0.00 0.00 0.00 176.54 175.94 1xo3 s ILE 67 N -3.06 5.09 -0.18 2.60 1.01 -1.16 -0.50 121.20 125.00 1xo3 s ILE 67 Ca -0.07 1.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.51 1xo3 s ILE 67 Cb 0.01 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1xo3 s ILE 67 CO 0.20 0.17 0.09 -0.76 0.00 0.00 0.00 174.94 174.64 1xo3 s LEU 68 N 1.61 3.99 -0.29 2.97 1.43 0.22 -3.61 118.68 125.00 1xo3 s LEU 68 Ca 0.25 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1xo3 s LEU 68 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1xo3 s LEU 68 CO 0.10 0.21 0.23 -0.69 0.23 0.00 0.00 176.35 176.43 1xo3 s VAL 69 N 0.16 5.28 -0.18 -1.59 1.01 -1.26 0.33 120.40 124.16 1xo3 s VAL 69 Ca 0.06 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1xo3 s VAL 69 Cb -0.12 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1xo3 s VAL 69 CO -0.00 0.18 1.29 -0.76 0.00 0.00 0.00 175.10 175.80 1xo3 s LEU 70 N 1.81 4.15 -0.53 3.92 1.02 0.19 -1.06 118.68 128.18 1xo3 s LEU 70 Ca 0.08 1.65 -0.23 0.00 0.02 0.00 0.00 54.13 55.66 1xo3 s LEU 70 Cb -0.16 -3.54 0.04 0.00 0.02 0.00 0.00 46.19 42.55 1xo3 s LEU 70 CO 0.11 -0.81 0.84 -0.63 0.02 0.00 0.00 176.35 175.88 1xo3 s ILE 71 N 3.65 4.54 0.00 -0.59 -1.09 0.19 -1.39 121.20 126.51 1xo3 s ILE 71 Ca 0.56 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1xo3 s ILE 71 Cb -0.22 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1xo3 s ILE 71 CO 0.16 -1.00 0.00 -0.46 -1.23 0.00 0.00 174.94 172.42 1xo3 n ASN 72 N 7.05 0.00 0.00 3.58 0.23 -0.43 -1.63 115.26 124.06 1xo3 n ASN 72 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1xo3 n ASN 72 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1xo3 n ASP 73 N 1.16 0.00 -3.83 0.53 2.03 -1.26 -3.38 116.55 111.81 1xo3 n ASP 73 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1xo3 n ASP 73 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 -0.77 -0.11 -1.67 0.00 -0.65 -5.05 121.76 113.51 1xo3 s ALA 74 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 1xo3 s ALA 74 Cb 0.00 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 1xo3 s ALA 74 CO 0.00 -0.85 1.96 -0.51 0.00 0.00 0.00 175.76 176.36 1xo3 s ASP 75 N -2.92 6.11 0.23 0.00 1.01 -1.26 0.56 116.67 120.39 1xo3 s ASP 75 Ca 0.13 2.15 -0.10 0.00 0.71 0.00 0.00 52.55 55.44 1xo3 s ASP 75 Cb -0.02 -2.52 0.33 0.00 1.01 0.00 0.00 42.92 41.72 1xo3 s ASP 75 CO 0.02 -1.40 1.63 4.11 0.21 0.00 0.00 175.17 179.75 1xo3 h TRP 76 N 12.06 -0.18 0.00 4.23 -0.00 -1.44 -2.23 115.95 128.39 1xo3 h TRP 76 Ca -0.43 0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.50 1xo3 h TRP 76 Cb 1.22 0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 30.56 1xo3 h TRP 76 CO 0.94 -0.25 -0.11 1.05 -0.00 0.00 0.00 178.44 180.07 1xo3 h GLU 77 N 0.06 0.00 -0.00 0.12 4.11 -1.90 0.12 114.58 117.09 1xo3 h GLU 77 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1xo3 h GLU 77 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xo3 h GLU 77 CO -0.65 0.11 -0.36 1.28 0.07 0.00 0.00 179.01 179.46 1xo3 n LEU 78 N -3.75 0.80 -0.04 3.06 4.77 -0.85 -4.23 117.00 116.77 1xo3 n LEU 78 Ca -0.02 -0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 55.77 1xo3 n LEU 78 Cb 0.22 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1xo3 n LEU 78 CO 0.30 0.16 -0.74 0.18 -1.33 0.00 0.00 177.39 175.97 1xo3 n LEU 79 N -1.01 0.00 0.00 2.23 4.32 0.21 -5.02 117.00 117.72 1xo3 n LEU 79 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1xo3 n LEU 79 Cb 0.34 0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1xo3 n LEU 79 CO 0.30 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 1xo3 n GLY 80 N 2.53 0.84 7.00 -0.72 0.00 0.07 -5.06 105.19 109.86 1xo3 n GLY 80 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.32 1.61 0.28 -0.38 -2.49 120.64 119.35 1xo3 n GLU 81 Ca 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 57.16 57.22 1xo3 n GLU 81 Cb 0.00 0.00 0.43 0.00 1.43 0.00 0.00 31.44 33.30 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 1xo3 h LEU 82 N 0.00 0.16 -7.08 -1.84 -0.00 -1.89 -2.68 115.31 101.97 1xo3 h LEU 82 Ca 0.00 0.23 -0.80 0.00 -0.00 0.00 0.00 57.88 57.31 1xo3 h LEU 82 Cb 0.00 0.27 -0.29 0.00 -0.00 0.00 0.00 40.66 40.64 1xo3 h LEU 82 CO 0.00 -0.27 0.64 -0.67 -0.00 0.00 0.00 178.44 178.14 1xo3 n ASP 83 N -5.23 6.07 -4.63 0.17 2.03 -1.04 -0.29 116.55 113.63 1xo3 n ASP 83 Ca 0.30 -3.31 -0.34 0.00 0.52 0.00 0.00 54.79 51.96 1xo3 n ASP 83 Cb 0.96 -1.28 -0.10 0.00 -0.72 0.00 0.00 41.12 39.98 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 -2.35 3.01 -0.94 -0.67 2.02 -1.01 -4.87 117.35 112.53 1xo3 s TYR 84 Ca 0.31 0.07 0.07 0.00 -0.37 0.00 0.00 57.07 57.15 1xo3 s TYR 84 Cb 0.01 -1.71 0.37 0.00 -0.40 0.00 0.00 41.96 40.23 1xo3 s TYR 84 CO 0.05 0.39 1.12 1.04 -1.57 0.00 0.00 175.55 176.58 1xo3 n GLN 85 N 1.98 2.61 -1.19 -0.62 3.00 -1.26 -4.05 117.38 117.84 1xo3 n GLN 85 Ca -0.17 -1.43 0.02 0.00 -0.01 0.00 0.00 57.00 55.41 1xo3 n GLN 85 Cb 0.53 -1.73 -0.01 0.00 0.00 0.00 0.00 30.24 29.02 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 0.34 -1.21 -3.81 1.08 7.99 -1.26 -4.98 117.00 115.15 1xo3 n LEU 86 Ca 0.13 2.14 -0.13 0.00 -0.01 0.00 0.00 56.01 58.13 1xo3 n LEU 86 Cb 0.61 -2.21 -0.15 0.00 -0.11 0.00 0.00 43.42 41.57 1xo3 n LEU 86 CO 0.14 -0.80 -0.32 -1.10 -1.51 0.00 0.00 177.39 173.80 1xo3 s GLN 87 N -4.92 0.02 0.06 3.23 1.11 -1.26 -5.10 119.66 112.80 1xo3 s GLN 87 Ca 0.00 0.14 -0.31 0.00 0.01 0.00 0.00 55.36 55.20 1xo3 s GLN 87 Cb 0.00 -0.10 -0.07 0.00 -1.01 0.00 0.00 33.01 31.83 1xo3 s GLN 87 CO 0.00 -0.08 1.50 0.34 0.01 0.00 0.00 175.29 177.06 1xo3 s ASP 88 N 0.52 6.73 -1.47 5.90 2.15 -1.26 -2.39 116.67 126.85 1xo3 s ASP 88 Ca -0.04 2.33 -0.08 0.00 0.43 0.00 0.00 52.55 55.20 1xo3 s ASP 88 Cb -0.06 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.01 1xo3 s ASP 88 CO -0.02 -0.78 0.83 0.00 -0.17 0.00 0.00 175.17 175.04 1xo3 n GLN 89 N 5.04 -5.84 -2.88 4.34 3.00 0.28 -4.94 117.38 116.37 1xo3 n GLN 89 Ca 0.14 0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 57.53 1xo3 n GLN 89 Cb 0.42 -5.72 -0.04 0.00 0.00 0.00 0.00 30.24 24.89 1xo3 n GLN 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1xo3 s ASP 90 N -2.97 7.25 -0.66 1.08 2.15 -1.01 -4.92 116.67 117.59 1xo3 s ASP 90 Ca 0.45 1.50 -0.17 0.00 0.43 0.00 0.00 52.55 54.76 1xo3 s ASP 90 Cb -0.21 -2.50 0.14 0.00 -0.30 0.00 0.00 42.92 40.05 1xo3 s ASP 90 CO 0.56 -0.11 0.70 -0.55 -0.17 0.00 0.00 175.17 175.59 1xo3 s SER 91 N 0.49 6.35 -0.52 -0.34 0.15 -1.22 -0.91 113.70 117.70 1xo3 s SER 91 Ca 0.44 -1.87 -0.23 0.00 0.70 0.00 0.00 55.95 54.99 1xo3 s SER 91 Cb -0.20 -2.26 0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1xo3 s SER 91 CO 0.24 -0.92 0.87 -0.63 1.20 0.00 0.00 173.24 174.00 1xo3 s ILE 92 N 1.82 4.50 -0.12 6.45 -1.09 0.20 -1.31 121.20 131.65 1xo3 s ILE 92 Ca 0.12 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.81 1xo3 s ILE 92 Cb -0.21 -4.46 0.01 0.00 -1.58 0.00 0.00 42.46 36.22 1xo3 s ILE 92 CO 0.01 -0.98 -0.20 -0.22 -1.23 0.00 0.00 174.94 172.31 1xo3 s LEU 93 N 3.64 1.99 -0.35 2.97 0.20 -0.49 -0.80 118.68 125.84 1xo3 s LEU 93 Ca 0.29 -0.54 -0.22 0.00 0.69 0.00 0.00 54.13 54.35 1xo3 s LEU 93 Cb -0.13 -1.32 0.01 0.00 -0.43 0.00 0.00 46.19 44.31 1xo3 s LEU 93 CO 0.19 0.08 0.73 -0.36 -0.29 0.00 0.00 176.35 176.70 1xo3 s PHE 94 N 0.73 3.14 -0.34 5.38 0.40 0.04 -0.64 117.98 126.69 1xo3 s PHE 94 Ca -0.10 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.74 1xo3 s PHE 94 Cb -0.16 -3.28 0.08 0.00 0.51 0.00 0.00 43.02 40.17 1xo3 s PHE 94 CO 0.01 -0.67 0.06 0.42 0.70 0.00 0.00 175.22 175.73 1xo3 s ILE 95 N 2.93 2.72 -0.27 0.64 -1.09 0.15 -0.62 121.20 125.66 1xo3 s ILE 95 Ca 0.29 -1.92 -0.29 0.00 -2.23 0.00 0.00 60.65 56.49 1xo3 s ILE 95 Cb -0.14 -2.79 -0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1xo3 s ILE 95 CO 0.16 -0.42 1.30 -0.55 -1.23 0.00 0.00 174.94 174.20 1xo3 s SER 96 N 1.28 6.71 0.00 3.58 0.15 -1.22 0.73 113.70 124.92 1xo3 s SER 96 Ca 0.03 1.30 0.27 0.00 0.70 0.00 0.00 55.95 58.25 1xo3 s SER 96 Cb -0.20 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.40 1xo3 s SER 96 CO -0.05 -1.03 1.61 1.07 1.20 0.00 0.00 173.24 176.05 1xo3 n THR 97 N 6.07 0.00 -2.01 6.45 5.66 0.34 -4.60 114.28 126.20 1xo3 n THR 97 Ca 0.15 -0.19 -0.41 0.00 -3.05 0.00 0.00 64.05 60.55 1xo3 n THR 97 Cb 0.46 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.71 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 -2.29 3.43 -0.14 1.09 1.43 -1.25 -4.83 118.68 116.13 1xo3 s LEU 98 Ca 0.30 0.93 0.17 0.00 -1.03 0.00 0.00 54.13 54.50 1xo3 s LEU 98 Cb 0.20 -3.12 0.68 0.00 0.03 0.00 0.00 46.19 43.99 1xo3 s LEU 98 CO 0.44 -1.99 1.60 1.41 0.23 0.00 0.00 176.35 178.04 1xo3 n HIS 99 N 11.37 1.45 -0.40 0.29 8.25 -1.26 -4.86 115.22 130.05 1xo3 n HIS 99 Ca 0.22 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 1xo3 n HIS 99 Cb 0.49 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xo3 n GLY 100 N 0.76 1.49 0.54 -1.41 0.00 -1.26 -5.29 105.19 100.02 1xo3 n GLY 100 Ca 0.25 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93