#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo3 n ALA 2 N 0.00 -3.28 -0.11 -0.43 0.00 -1.26 -4.22 120.51 111.21 1xo3 n ALA 2 Ca 0.00 1.78 -0.05 0.00 0.00 0.00 0.00 53.44 55.17 1xo3 n ALA 2 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 19.45 15.87 1xo3 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xo3 h ALA 3 N 3.69 0.37 -1.55 0.00 0.00 -1.95 -3.26 119.26 116.55 1xo3 h ALA 3 Ca -0.39 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xo3 h ALA 3 Cb 0.88 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xo3 h ALA 3 CO 0.01 -0.35 0.00 -0.35 0.00 0.00 0.00 179.25 178.55 1xo3 n PRO 4 N -5.12 0.00 -3.68 0.00 -0.04 -1.26 -4.95 135.00 119.94 1xo3 n PRO 4 Ca 0.02 0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1xo3 n PRO 4 Cb 0.17 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.45 0.30 0.03 1.53 2.34 -1.23 -5.05 118.68 114.14 1xo3 s LEU 5 Ca 0.00 0.42 0.05 0.00 0.06 0.00 0.00 54.13 54.66 1xo3 s LEU 5 Cb 0.00 1.70 -0.02 0.00 -0.56 0.00 0.00 46.19 47.31 1xo3 s LEU 5 CO 0.00 -0.45 -0.15 0.00 -1.06 0.00 0.00 176.35 174.69 1xo3 s VAL 7 N -0.74 1.87 -0.20 0.00 -7.23 -1.14 -0.99 120.40 111.97 1xo3 s VAL 7 Ca 0.03 -1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1xo3 s VAL 7 Cb -0.08 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 1xo3 s VAL 7 CO 0.01 0.53 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.50 1xo3 s LYS 8 N -0.52 3.33 -0.12 4.82 2.36 0.45 -2.98 119.74 127.08 1xo3 s LYS 8 Ca 0.08 -0.66 -0.03 0.00 -2.55 0.00 0.00 55.97 52.81 1xo3 s LYS 8 Cb -0.09 -2.89 -0.03 0.00 -1.05 0.00 0.00 37.83 33.76 1xo3 s LYS 8 CO -0.01 -0.13 0.00 0.08 1.55 0.00 0.00 175.35 176.84 1xo3 s VAL 9 N 1.27 4.28 0.15 4.02 1.01 -0.56 0.63 120.40 131.21 1xo3 s VAL 9 Ca 0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xo3 s VAL 9 Cb -0.14 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1xo3 s VAL 9 CO -0.03 0.55 0.22 -0.70 0.00 0.00 0.00 175.10 175.14 1xo3 s GLU 10 N -0.35 1.08 -0.08 2.72 2.12 0.36 0.89 118.70 125.43 1xo3 s GLU 10 Ca 0.07 -1.24 0.04 0.00 0.36 0.00 0.00 54.97 54.20 1xo3 s GLU 10 Cb -0.12 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1xo3 s GLU 10 CO 0.02 -0.37 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.10 1xo3 s PHE 11 N -3.98 2.57 0.00 5.30 0.08 -0.78 -1.10 117.98 120.07 1xo3 s PHE 11 Ca 0.18 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1xo3 s PHE 11 Cb 0.05 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 1xo3 s PHE 11 CO -0.00 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.28 1xo3 n GLY 12 N 3.20 0.00 1.81 4.36 0.00 -0.39 -4.76 105.19 109.41 1xo3 n GLY 12 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 2.11 2.58 2.49 -0.02 0.00 -1.05 -4.52 105.19 106.78 1xo3 n GLY 13 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 2.07 1.57 0.17 -0.02 0.00 -1.26 -3.59 105.19 104.13 1xo3 n GLY 14 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.06 0.97 -0.44 4.61 0.00 -1.84 -2.96 119.26 119.66 1xo3 h ALA 15 Ca -0.36 -0.51 0.13 0.00 0.00 0.00 0.00 54.91 54.17 1xo3 h ALA 15 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1xo3 h ALA 15 CO 0.52 0.70 0.38 1.05 0.00 0.00 0.00 179.25 181.90 1xo3 h GLU 16 N 0.12 0.00 0.00 0.00 4.11 -1.86 0.12 114.58 117.07 1xo3 h GLU 16 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xo3 h GLU 16 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1xo3 h GLU 16 CO 0.08 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.44 1xo3 n LEU 17 N -4.05 0.19 0.05 3.06 4.77 -1.12 0.48 117.00 120.39 1xo3 n LEU 17 Ca 0.08 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1xo3 n LEU 17 Cb 0.58 -0.57 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1xo3 n LEU 17 CO 0.32 -0.52 0.16 0.18 -1.33 0.00 0.00 177.39 176.21 1xo3 n LEU 18 N -1.74 0.67 -0.64 2.23 4.77 0.42 -4.35 117.00 118.36 1xo3 n LEU 18 Ca 0.01 0.14 0.06 0.00 -0.03 0.00 0.00 56.01 56.19 1xo3 n LEU 18 Cb 0.09 -0.13 0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1xo3 n LEU 18 CO 0.08 -0.03 0.34 0.49 -1.33 0.00 0.00 177.39 176.95 1xo3 n PHE 19 N -2.12 0.00 -0.98 -1.77 3.72 0.18 -0.96 117.46 115.53 1xo3 n PHE 19 Ca 0.02 -1.10 0.00 0.00 -0.05 0.00 0.00 57.45 56.32 1xo3 n PHE 19 Cb 0.45 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.81 -3.80 0.00 4.37 2.03 -0.72 -2.90 116.55 114.71 1xo3 n ASP 20 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1xo3 n ASP 20 Cb 0.76 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 -1.45 0.78 3.72 0.27 0.00 0.93 -4.98 105.19 104.46 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 4.83 0.01 1.61 0.11 -1.14 -4.95 120.40 118.87 1xo3 s VAL 22 Ca 0.00 1.94 -0.03 0.00 -2.93 0.00 0.00 61.98 60.96 1xo3 s VAL 22 Cb 0.00 -4.26 -0.01 0.00 -1.53 0.00 0.00 36.38 30.58 1xo3 s VAL 22 CO 0.00 0.21 -0.05 0.29 -3.33 0.00 0.00 175.10 172.22 1xo3 n LYS 23 N 3.64 0.08 -2.63 1.54 5.02 -1.26 -4.50 118.16 120.05 1xo3 n LYS 23 Ca 0.04 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1xo3 n LYS 23 Cb 0.51 -0.46 -0.04 0.00 -0.02 0.00 0.00 35.03 35.01 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 -1.66 4.63 -0.13 1.97 2.20 -1.26 -1.86 119.74 123.63 1xo3 s LYS 24 Ca -0.04 1.57 -0.03 0.00 -0.36 0.00 0.00 55.97 57.11 1xo3 s LYS 24 Cb 0.01 -3.34 0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1xo3 s LYS 24 CO 0.06 0.12 0.06 -1.58 -0.36 0.00 0.00 175.35 173.65 1xo3 s HIS 25 N 0.03 0.44 0.00 4.03 2.46 0.26 -4.97 115.29 117.54 1xo3 s HIS 25 Ca 0.49 -0.29 -0.18 0.00 0.47 0.00 0.00 55.06 55.55 1xo3 s HIS 25 Cb -0.26 -0.74 -0.06 0.00 -0.13 0.00 0.00 32.58 31.39 1xo3 s HIS 25 CO 0.32 -0.43 0.51 -1.14 -2.47 0.00 0.00 174.74 171.52 1xo3 s GLN 26 N 2.05 4.16 -0.02 2.88 0.74 -1.26 -1.50 119.66 126.71 1xo3 s GLN 26 Ca 0.03 0.59 -0.00 0.00 0.05 0.00 0.00 55.36 56.02 1xo3 s GLN 26 Cb -0.15 -3.29 0.03 0.00 1.10 0.00 0.00 33.01 30.71 1xo3 s GLN 26 CO -0.07 0.53 0.04 0.54 -0.55 0.00 0.00 175.29 175.78 1xo3 s VAL 27 N -0.64 -0.07 -0.13 1.34 0.11 -1.16 -5.00 120.40 114.86 1xo3 s VAL 27 Ca 0.27 0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.49 1xo3 s VAL 27 Cb -0.18 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1xo3 s VAL 27 CO 0.15 0.10 0.15 0.00 -3.33 0.00 0.00 175.10 172.17 1xo3 s ALA 28 N 1.22 3.85 0.20 1.54 0.00 -1.26 -2.86 121.76 124.45 1xo3 s ALA 28 Ca -0.07 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1xo3 s ALA 28 Cb -0.13 -2.01 -0.08 0.00 0.00 0.00 0.00 23.12 20.90 1xo3 s ALA 28 CO -0.03 0.55 0.88 -0.51 0.00 0.00 0.00 175.76 176.65 1xo3 s LEU 29 N -0.83 4.62 0.49 0.00 2.01 -1.16 -4.95 118.68 118.87 1xo3 s LEU 29 Ca 0.14 1.83 0.20 0.00 0.01 0.00 0.00 54.13 56.31 1xo3 s LEU 29 Cb -0.12 -3.49 1.25 0.00 0.01 0.00 0.00 46.19 43.84 1xo3 s LEU 29 CO 0.03 0.16 2.06 -0.65 1.01 0.00 0.00 176.35 178.96 1xo3 h PRO 30 N 4.30 0.00 -3.58 1.29 0.11 -1.98 -3.43 132.00 128.71 1xo3 h PRO 30 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1xo3 h PRO 30 Cb 1.20 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.38 1xo3 h PRO 30 CO 0.68 0.13 -0.28 0.41 -0.21 0.00 0.00 178.00 178.73 1xo3 n GLY 31 N -0.98 0.20 1.55 -0.55 0.00 -1.26 -4.93 105.19 99.22 1xo3 n GLY 31 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xo3 n GLY 31 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xo3 n GLN 32 N -2.06 0.00 -0.00 1.61 7.27 -1.26 -4.99 117.38 117.95 1xo3 n GLN 32 Ca -0.05 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.04 1xo3 n GLN 32 Cb 0.55 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.16 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1xo3 n GLU 33 N -2.50 0.42 -3.62 3.69 1.02 -1.26 -5.06 120.64 113.33 1xo3 n GLU 33 Ca 0.00 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 1xo3 n GLU 33 Cb 0.00 -1.11 0.01 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.66 -1.69 -0.43 3.49 4.71 -1.26 -4.86 120.64 118.94 1xo3 n GLU 34 Ca -0.01 1.07 0.04 0.00 -0.01 0.00 0.00 57.16 58.26 1xo3 n GLU 34 Cb 0.14 -2.56 0.21 0.00 -1.01 0.00 0.00 31.44 28.21 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1xo3 n PRO 35 N -1.70 2.88 -1.00 3.49 -0.04 -1.26 -4.21 135.00 133.17 1xo3 n PRO 35 Ca -0.21 -1.61 -0.15 0.00 -0.04 0.00 0.00 63.50 61.49 1xo3 n PRO 35 Cb 0.67 -1.82 0.19 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.37 2.47 -1.18 0.54 5.03 -1.26 -4.80 117.44 118.61 1xo3 n TRP 36 Ca 0.14 -1.45 -0.35 0.00 3.03 0.00 0.00 57.50 58.88 1xo3 n TRP 36 Cb 0.69 -0.77 0.10 0.00 -1.03 0.00 0.00 31.31 30.30 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 -0.62 0.17 -0.35 -0.99 9.92 -1.26 -4.64 116.55 118.79 1xo3 n ASP 37 Ca 0.46 0.59 0.10 0.00 -0.53 0.00 0.00 54.79 55.41 1xo3 n ASP 37 Cb 1.42 -1.40 0.29 0.00 -0.64 0.00 0.00 41.12 40.80 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 -0.67 0.82 -0.25 0.53 1.08 -1.58 0.13 117.51 117.57 1xo3 h ILE 38 Ca -0.46 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 63.68 1xo3 h ILE 38 Cb 1.32 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1xo3 h ILE 38 CO 0.44 0.16 0.01 0.08 -0.69 0.00 0.00 178.15 178.15 1xo3 h ARG 39 N 0.86 0.36 -0.14 2.37 -0.00 -0.83 -1.36 114.38 115.64 1xo3 h ARG 39 Ca 0.53 -0.06 -0.20 0.00 -0.00 0.00 0.00 59.98 60.25 1xo3 h ARG 39 Cb 0.69 -0.06 0.01 0.00 -0.00 0.00 0.00 29.97 30.61 1xo3 h ARG 39 CO -0.30 0.38 -0.67 -0.91 -0.00 0.00 0.00 179.97 178.46 1xo3 h ASN 40 N 0.36 0.84 0.22 0.08 2.35 -1.02 -2.70 115.58 115.71 1xo3 h ASN 40 Ca 0.08 -0.63 -0.10 0.00 -0.55 0.00 0.00 56.30 55.10 1xo3 h ASN 40 Cb 0.22 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xo3 h ASN 40 CO 0.00 1.33 -0.40 -0.07 -1.65 0.00 0.00 177.43 176.65 1xo3 h LEU 41 N 0.40 0.25 -0.68 1.61 -0.00 -1.14 -0.43 115.31 115.31 1xo3 h LEU 41 Ca -0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 1xo3 h LEU 41 Cb 1.31 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.87 1xo3 h LEU 41 CO 0.14 0.63 0.36 0.25 -0.00 0.00 0.00 178.44 179.82 1xo3 h LEU 42 N 0.20 0.86 -0.11 1.67 6.46 -1.20 0.12 115.31 123.31 1xo3 h LEU 42 Ca 0.02 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1xo3 h LEU 42 Cb 0.79 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1xo3 h LEU 42 CO 0.06 0.72 0.06 0.58 -0.62 0.00 0.00 178.44 179.25 1xo3 h VAL 43 N 0.94 1.09 -0.43 1.05 2.07 -0.97 0.93 116.25 120.92 1xo3 h VAL 43 Ca 0.24 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1xo3 h VAL 43 Cb 0.06 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1xo3 h VAL 43 CO -0.04 0.08 0.11 -0.25 0.02 0.00 0.00 177.57 177.49 1xo3 h TRP 44 N 0.09 0.18 -0.47 1.57 2.91 -0.86 0.27 115.95 119.64 1xo3 h TRP 44 Ca 0.04 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 59.96 1xo3 h TRP 44 Cb 0.07 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1xo3 h TRP 44 CO -0.04 0.03 -0.20 0.82 -1.03 0.00 0.00 178.44 178.02 1xo3 h ILE 45 N 0.25 1.27 0.52 2.65 2.04 -0.29 0.12 117.51 124.06 1xo3 h ILE 45 Ca 0.21 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1xo3 h ILE 45 Cb 0.25 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1xo3 h ILE 45 CO -0.26 0.46 -0.25 0.50 0.00 0.00 0.00 178.15 178.60 1xo3 h LYS 46 N 0.81 -0.67 -0.10 2.37 3.64 0.16 0.95 116.57 123.73 1xo3 h LYS 46 Ca 0.11 0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.32 1xo3 h LYS 46 Cb 0.75 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1xo3 h LYS 46 CO 0.06 -0.37 -0.80 1.57 -2.27 0.00 0.00 179.45 177.64 1xo3 h LYS 47 N -0.94 0.63 0.00 1.90 2.10 -0.52 -3.09 116.57 116.65 1xo3 h LYS 47 Ca -0.07 -0.54 -0.28 0.00 -2.00 0.00 0.00 60.65 57.76 1xo3 h LYS 47 Cb 0.61 0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 32.02 1xo3 h LYS 47 CO 0.12 1.16 -1.59 -1.71 -2.00 0.00 0.00 179.45 175.42 1xo3 n ASN 48 N -3.88 1.89 0.12 7.07 2.85 0.03 -4.63 115.26 118.70 1xo3 n ASN 48 Ca -0.07 0.41 -0.21 0.00 -0.11 0.00 0.00 54.58 54.60 1xo3 n ASN 48 Cb 0.75 -0.92 -0.15 0.00 1.24 0.00 0.00 39.78 40.71 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1xo3 h LEU 49 N -1.00 0.65 -8.90 1.20 3.38 -0.98 -3.44 115.31 106.21 1xo3 h LEU 49 Ca -0.43 -0.75 -0.57 0.00 0.09 0.00 0.00 57.88 56.22 1xo3 h LEU 49 Cb 1.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1xo3 h LEU 49 CO -0.26 1.60 1.45 -0.22 0.09 0.00 0.00 178.44 181.10 1xo3 s LEU 50 N -7.36 3.44 0.09 1.67 1.98 0.12 -4.31 118.68 114.31 1xo3 s LEU 50 Ca -0.09 1.62 -0.09 0.00 -2.89 0.00 0.00 54.13 52.68 1xo3 s LEU 50 Cb 0.05 -3.39 -0.21 0.00 0.66 0.00 0.00 46.19 43.31 1xo3 s LEU 50 CO 0.91 -2.01 1.19 0.11 -1.89 0.00 0.00 176.35 174.66 1xo3 h LYS 51 N 14.99 0.47 0.00 1.98 1.79 -1.35 -3.47 116.57 130.99 1xo3 h LYS 51 Ca -0.37 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 57.49 1xo3 h LYS 51 Cb 1.22 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1xo3 h LYS 51 CO 1.01 1.24 0.00 -0.85 -1.08 0.00 0.00 179.45 179.77 1xo3 n GLU 52 N -3.72 3.98 -3.30 3.15 0.28 -1.26 -5.07 120.64 114.70 1xo3 n GLU 52 Ca -0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.52 1xo3 n GLU 52 Cb 0.93 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.74 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 3.90 4.29 0.00 3.44 0.52 -1.26 -4.95 118.95 124.89 1xo3 s ARG 53 Ca 0.00 0.43 0.05 0.00 -0.52 0.00 0.00 55.73 55.69 1xo3 s ARG 53 Cb 0.00 -3.48 0.31 0.00 0.52 0.00 0.00 34.95 32.30 1xo3 s ARG 53 CO 0.00 0.05 0.74 -2.30 0.02 0.00 0.00 175.30 173.81 1xo3 n PRO 54 N 4.05 0.19 -0.20 3.54 -0.02 -1.26 -3.52 135.00 137.79 1xo3 n PRO 54 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.39 1xo3 n PRO 54 Cb 0.51 -1.42 0.08 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.56 -0.01 -0.52 4.39 -1.92 -0.51 114.58 116.56 1xo3 h GLU 55 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xo3 h GLU 55 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1xo3 h GLU 55 CO 0.00 0.37 -0.01 1.47 -1.16 0.00 0.00 179.01 179.68 1xo3 n LEU 56 N -4.85 1.17 0.00 1.33 -0.00 -1.23 -4.85 117.00 108.57 1xo3 n LEU 56 Ca 0.06 -0.38 -0.05 0.00 -0.00 0.00 0.00 56.01 55.65 1xo3 n LEU 56 Cb 0.16 -0.01 0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1xo3 n LEU 56 CO 0.28 0.20 0.11 0.33 -0.00 0.00 0.00 177.39 178.31 1xo3 n PHE 57 N -0.12 -3.07 -1.95 1.47 7.35 -0.20 -4.99 117.46 115.95 1xo3 n PHE 57 Ca 0.20 -0.44 -0.30 0.00 -0.76 0.00 0.00 57.45 56.15 1xo3 n PHE 57 Cb 0.31 -0.15 0.05 0.00 0.35 0.00 0.00 39.48 40.03 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 -0.19 3.43 0.56 -2.13 -4.36 -1.26 -4.74 121.20 112.50 1xo3 s ILE 58 Ca 0.15 0.39 -0.21 0.00 -0.26 0.00 0.00 60.65 60.72 1xo3 s ILE 58 Cb -0.01 -3.45 -0.04 0.00 1.25 0.00 0.00 42.46 40.21 1xo3 s ILE 58 CO 0.10 -0.58 1.32 0.00 0.24 0.00 0.00 174.94 176.02 1xo3 s GLN 59 N -5.32 3.10 0.00 0.37 -2.07 -1.25 -4.77 119.66 109.72 1xo3 s GLN 59 Ca 0.58 2.14 -0.02 0.00 -1.82 0.00 0.00 55.36 56.24 1xo3 s GLN 59 Cb -0.11 -2.19 -0.07 0.00 -1.09 0.00 0.00 33.01 29.55 1xo3 s GLN 59 CO 0.51 -1.19 2.02 0.41 -1.32 0.00 0.00 175.29 175.72 1xo3 n GLY 60 N 0.71 2.22 2.00 2.60 0.00 -1.26 -3.39 105.19 108.07 1xo3 n GLY 60 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.96 -0.11 0.00 1.61 8.00 -1.26 -4.84 116.55 121.90 1xo3 n ASP 61 Ca 0.11 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1xo3 n ASP 61 Cb 0.50 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.84 0.00 -3.92 -2.24 2.88 -1.22 -3.93 113.62 102.36 1xo3 n SER 62 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1xo3 n SER 62 Cb 0.00 0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.16 0.00 0.60 2.46 -7.23 -1.26 -4.81 120.40 110.01 1xo3 s VAL 63 Ca 0.00 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1xo3 s VAL 63 Cb 0.00 -2.06 0.06 0.00 0.56 0.00 0.00 36.38 34.94 1xo3 s VAL 63 CO 0.00 -0.01 0.84 0.00 -0.31 0.00 0.00 175.10 175.62 1xo3 s ARG 64 N -3.97 2.27 0.67 4.82 1.70 -1.26 -3.96 118.95 119.22 1xo3 s ARG 64 Ca 0.17 -0.93 0.42 0.00 -0.47 0.00 0.00 55.73 54.92 1xo3 s ARG 64 Cb -0.03 -2.45 2.30 0.00 -0.57 0.00 0.00 34.95 34.20 1xo3 s ARG 64 CO 0.07 -0.95 2.29 -1.35 -1.08 0.00 0.00 175.30 174.29 1xo3 h PRO 65 N -0.11 0.00 0.01 3.89 0.11 -2.01 -3.07 132.00 130.82 1xo3 h PRO 65 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xo3 h PRO 65 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1xo3 h PRO 65 CO 0.48 0.00 -0.01 0.78 -0.21 0.00 0.00 178.00 179.04 1xo3 h GLY 66 N 0.00 -0.02 -5.80 -0.55 0.00 -1.95 -3.45 103.07 91.30 1xo3 h GLY 66 Ca 0.00 0.01 -0.65 0.00 0.00 0.00 0.00 47.33 46.69 1xo3 h GLY 66 CO 0.00 -0.01 -0.50 -0.42 0.00 0.00 0.00 176.54 175.62 1xo3 s ILE 67 N -2.57 5.37 0.16 2.60 1.01 -1.16 0.04 121.20 126.64 1xo3 s ILE 67 Ca -0.16 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1xo3 s ILE 67 Cb -0.02 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1xo3 s ILE 67 CO 0.61 0.57 0.14 -0.76 0.00 0.00 0.00 174.94 175.50 1xo3 s LEU 68 N -0.60 3.84 -0.06 2.97 1.43 0.15 -3.98 118.68 122.44 1xo3 s LEU 68 Ca 0.13 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1xo3 s LEU 68 Cb -0.12 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 1xo3 s LEU 68 CO 0.02 0.08 -0.19 -0.69 0.23 0.00 0.00 176.35 175.80 1xo3 s VAL 69 N -1.72 1.58 -0.24 -1.59 1.01 -1.26 0.52 120.40 118.71 1xo3 s VAL 69 Ca 0.31 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1xo3 s VAL 69 Cb -0.10 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1xo3 s VAL 69 CO 0.24 0.45 0.65 -0.76 0.00 0.00 0.00 175.10 175.68 1xo3 s LEU 70 N 0.19 4.08 -0.42 3.92 1.43 -0.02 -2.03 118.68 125.84 1xo3 s LEU 70 Ca -0.09 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 1xo3 s LEU 70 Cb -0.14 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1xo3 s LEU 70 CO 0.04 -0.36 0.61 -0.63 0.23 0.00 0.00 176.35 176.24 1xo3 s ILE 71 N 2.38 4.88 0.00 -0.59 -1.09 0.86 -1.92 121.20 125.72 1xo3 s ILE 71 Ca 0.28 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 1xo3 s ILE 71 Cb -0.16 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1xo3 s ILE 71 CO 0.09 -0.51 0.00 -3.20 -1.23 0.00 0.00 174.94 170.09 1xo3 n ASN 72 N 6.11 0.00 0.00 3.58 2.85 -0.76 -1.50 115.26 125.54 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 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 3.11 0.00 -3.92 1.20 2.03 -1.25 -2.65 116.55 115.08 1xo3 n ASP 73 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 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 1.64 -0.24 -1.67 0.00 -0.56 -5.01 121.76 115.91 1xo3 s ALA 74 Ca 0.00 -1.82 -0.28 0.00 0.00 0.00 0.00 51.96 49.86 1xo3 s ALA 74 Cb 0.00 1.32 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 1xo3 s ALA 74 CO 0.00 -0.57 2.12 -0.51 0.00 0.00 0.00 175.76 176.79 1xo3 s ASP 75 N -3.29 5.56 0.21 0.00 1.11 -1.26 -0.10 116.67 118.90 1xo3 s ASP 75 Ca 0.38 1.75 -0.10 0.00 0.18 0.00 0.00 52.55 54.76 1xo3 s ASP 75 Cb 0.05 -2.51 0.31 0.00 1.07 0.00 0.00 42.92 41.84 1xo3 s ASP 75 CO 0.18 -1.90 1.69 4.11 1.18 0.00 0.00 175.17 180.43 1xo3 h TRP 76 N 14.52 0.15 -0.28 4.23 -0.00 -1.74 -2.71 115.95 130.12 1xo3 h TRP 76 Ca -0.39 0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 58.52 1xo3 h TRP 76 Cb 1.22 0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 30.39 1xo3 h TRP 76 CO 0.94 -0.07 0.09 1.05 -0.00 0.00 0.00 178.44 180.46 1xo3 h GLU 77 N 0.22 0.40 0.00 0.12 4.11 -1.89 0.15 114.58 117.68 1xo3 h GLU 77 Ca 0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1xo3 h GLU 77 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xo3 h GLU 77 CO -0.44 0.35 -0.43 1.28 0.07 0.00 0.00 179.01 179.83 1xo3 n LEU 78 N -4.40 0.54 -0.09 3.06 4.77 -1.04 -4.03 117.00 115.81 1xo3 n LEU 78 Ca 0.01 0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1xo3 n LEU 78 Cb 0.14 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 40.83 1xo3 n LEU 78 CO 0.36 0.00 -1.12 0.18 -1.33 0.00 0.00 177.39 175.48 1xo3 n LEU 79 N -1.84 0.27 0.00 2.23 4.32 -0.21 -4.99 117.00 116.78 1xo3 n LEU 79 Ca 0.05 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1xo3 n LEU 79 Cb 0.39 0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.53 1xo3 n LEU 79 CO 0.34 0.50 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 1xo3 n GLY 80 N 1.89 0.85 7.00 -0.72 0.00 -0.24 -5.06 105.19 108.92 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 -0.33 1.61 0.28 -0.13 -2.64 120.64 119.43 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 0.42 0.00 1.43 0.00 0.00 31.44 33.29 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 -0.11 -4.01 -1.84 -0.00 -1.89 -1.80 115.31 105.67 1xo3 h LEU 82 Ca 0.00 0.27 -0.68 0.00 -0.00 0.00 0.00 57.88 57.47 1xo3 h LEU 82 Cb 0.00 0.39 -0.29 0.00 -0.00 0.00 0.00 40.66 40.76 1xo3 h LEU 82 CO 0.00 -0.39 0.88 -0.67 -0.00 0.00 0.00 178.44 178.26 1xo3 n ASP 83 N -5.38 7.70 -4.69 0.17 2.03 -1.08 -0.38 116.55 114.91 1xo3 n ASP 83 Ca 0.30 -3.78 -0.41 0.00 0.52 0.00 0.00 54.79 51.42 1xo3 n ASP 83 Cb 0.99 -0.98 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 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 -3.80 3.51 -0.87 -0.67 2.02 -0.68 -4.91 117.35 111.96 1xo3 s TYR 84 Ca 0.64 1.33 0.00 0.00 -0.37 0.00 0.00 57.07 58.67 1xo3 s TYR 84 Cb 0.50 -2.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.10 1xo3 s TYR 84 CO -0.02 -0.10 0.51 0.00 -1.57 0.00 0.00 175.55 174.37 1xo3 n GLN 85 N 4.55 0.89 -1.33 -0.62 0.00 -1.26 -3.88 117.38 115.74 1xo3 n GLN 85 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.03 1xo3 n GLN 85 Cb 0.50 -1.39 -0.00 0.00 0.00 0.00 0.00 30.24 29.34 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 0.12 -0.91 0.00 2.61 4.77 -1.26 -4.96 117.00 117.36 1xo3 n LEU 86 Ca 0.00 1.55 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 1xo3 n LEU 86 Cb 0.25 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 1xo3 n LEU 86 CO 0.00 -0.45 0.00 0.00 -1.33 0.00 0.00 177.39 175.61 1xo3 n GLN 87 N -2.35 0.00 0.00 3.23 3.00 -1.26 -5.13 117.38 114.87 1xo3 n GLN 87 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xo3 n GLN 87 Cb 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 30.24 30.20 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 -2.35 0.00 -1.58 1.08 2.03 -1.26 -4.91 116.55 109.55 1xo3 n ASP 88 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 1xo3 n ASP 88 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 -0.48 -1.24 -2.03 -0.67 1.13 -0.16 -4.90 117.38 109.03 1xo3 n GLN 89 Ca 0.00 0.94 -0.41 0.00 -1.94 0.00 0.00 57.00 55.59 1xo3 n GLN 89 Cb 0.00 -5.26 -0.03 0.00 0.11 0.00 0.00 30.24 25.07 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xo3 s ASP 90 N -2.54 5.70 -0.74 1.08 1.01 -1.22 -4.78 116.67 115.18 1xo3 s ASP 90 Ca 0.00 0.96 -0.23 0.00 0.71 0.00 0.00 52.55 53.98 1xo3 s ASP 90 Cb 0.00 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.47 1xo3 s ASP 90 CO 0.00 -1.92 1.09 -0.55 0.21 0.00 0.00 175.17 174.00 1xo3 s SER 91 N 6.69 6.25 -0.48 0.27 0.15 -1.08 -0.41 113.70 125.08 1xo3 s SER 91 Ca 0.75 -1.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.16 1xo3 s SER 91 Cb -0.18 -2.46 0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1xo3 s SER 91 CO 0.29 -1.49 0.65 -0.63 1.20 0.00 0.00 173.24 173.26 1xo3 s ILE 92 N 4.34 4.83 -0.12 6.45 -1.09 0.21 -1.83 121.20 133.97 1xo3 s ILE 92 Ca 0.28 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 1xo3 s ILE 92 Cb -0.12 -4.26 -0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1xo3 s ILE 92 CO 0.07 -0.72 -0.19 -0.22 -1.23 0.00 0.00 174.94 172.65 1xo3 s LEU 93 N 2.79 2.32 -0.34 2.97 0.20 -0.81 -0.49 118.68 125.32 1xo3 s LEU 93 Ca 0.19 -0.49 -0.21 0.00 0.69 0.00 0.00 54.13 54.31 1xo3 s LEU 93 Cb -0.16 -1.50 0.00 0.00 -0.43 0.00 0.00 46.19 44.10 1xo3 s LEU 93 CO 0.15 0.13 0.66 -0.36 -0.29 0.00 0.00 176.35 176.65 1xo3 s PHE 94 N 0.51 3.16 -0.33 5.38 0.40 -0.25 -0.84 117.98 126.01 1xo3 s PHE 94 Ca -0.12 0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1xo3 s PHE 94 Cb -0.17 -3.13 0.08 0.00 0.51 0.00 0.00 43.02 40.31 1xo3 s PHE 94 CO 0.05 -0.60 0.04 0.42 0.70 0.00 0.00 175.22 175.83 1xo3 s ILE 95 N 2.74 2.68 -0.25 0.64 -1.09 0.18 -1.26 121.20 124.84 1xo3 s ILE 95 Ca 0.26 -1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 56.49 1xo3 s ILE 95 Cb -0.14 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 1xo3 s ILE 95 CO 0.14 -0.39 1.38 -0.55 -1.23 0.00 0.00 174.94 174.29 1xo3 s SER 96 N 1.25 6.65 0.00 3.58 0.15 -1.24 0.32 113.70 124.42 1xo3 s SER 96 Ca 0.02 1.41 0.21 0.00 0.70 0.00 0.00 55.95 58.29 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 -1.07 1.49 1.07 1.20 0.00 0.00 173.24 175.89 1xo3 n THR 97 N 6.10 0.90 -1.72 6.45 5.66 0.11 -4.67 114.28 127.10 1xo3 n THR 97 Ca 0.16 -0.90 -0.41 0.00 -3.05 0.00 0.00 64.05 59.85 1xo3 n THR 97 Cb 0.46 0.45 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 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 -1.00 3.43 0.00 1.09 1.43 -1.18 -4.67 118.68 117.78 1xo3 s LEU 98 Ca 0.45 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1xo3 s LEU 98 Cb 0.23 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1xo3 s LEU 98 CO 0.31 -2.19 0.22 0.00 0.23 0.00 0.00 176.35 174.91 1xo3 n HIS 99 N 12.62 0.00 0.00 0.29 1.44 -1.26 -5.13 115.22 123.18 1xo3 n HIS 99 Ca 0.29 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 1xo3 n HIS 99 Cb 0.49 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xo3 n GLY 100 N -0.02 2.92 0.00 -1.39 0.00 -1.26 -5.34 105.19 100.10 1xo3 n GLY 100 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93