#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 -3.15 -0.07 -0.43 0.00 -1.26 -4.83 120.51 110.77 1xo3 n ALA 2 Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 1xo3 n ALA 2 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 1.49 0.31 -1.28 0.00 0.00 -2.00 -3.35 119.26 114.43 1xo3 h ALA 3 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xo3 h ALA 3 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xo3 h ALA 3 CO 0.09 -0.04 0.00 -0.35 0.00 0.00 0.00 179.25 178.95 1xo3 n PRO 4 N -4.73 0.00 -3.64 0.00 -0.04 -1.26 -4.94 135.00 120.39 1xo3 n PRO 4 Ca -0.03 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 63.79 1xo3 n PRO 4 Cb 0.18 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.31 0.29 -0.03 1.53 2.34 -1.26 -5.04 118.68 113.20 1xo3 s LEU 5 Ca 0.00 -0.33 -0.01 0.00 0.06 0.00 0.00 54.13 53.85 1xo3 s LEU 5 Cb 0.00 1.93 0.02 0.00 -0.56 0.00 0.00 46.19 47.58 1xo3 s LEU 5 CO 0.00 -0.89 0.06 0.00 -1.06 0.00 0.00 176.35 174.46 1xo3 s VAL 7 N 0.80 2.98 0.06 0.00 -7.23 -1.08 0.24 120.40 116.18 1xo3 s VAL 7 Ca -0.06 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1xo3 s VAL 7 Cb -0.09 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1xo3 s VAL 7 CO -0.03 -0.34 -0.15 -0.54 -0.31 0.00 0.00 175.10 173.73 1xo3 s LYS 8 N -3.64 0.89 -0.13 4.82 1.02 0.26 -1.71 119.74 121.26 1xo3 s LYS 8 Ca 0.32 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1xo3 s LYS 8 Cb -0.05 -0.93 0.02 0.00 -0.52 0.00 0.00 37.83 36.36 1xo3 s LYS 8 CO 0.18 0.21 -0.14 0.08 -0.92 0.00 0.00 175.35 174.77 1xo3 s VAL 9 N -1.14 1.46 0.07 3.17 1.01 0.13 0.15 120.40 125.26 1xo3 s VAL 9 Ca -0.00 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1xo3 s VAL 9 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1xo3 s VAL 9 CO 0.02 0.44 -0.06 -0.70 0.00 0.00 0.00 175.10 174.80 1xo3 s GLU 10 N 1.29 0.68 0.40 2.72 2.12 -0.32 0.96 118.70 126.54 1xo3 s GLU 10 Ca -0.00 -1.13 -0.15 0.00 0.36 0.00 0.00 54.97 54.04 1xo3 s GLU 10 Cb -0.14 -0.12 -0.09 0.00 0.26 0.00 0.00 34.13 34.05 1xo3 s GLU 10 CO -0.06 -0.02 0.84 -0.59 -0.54 0.00 0.00 175.26 174.88 1xo3 s PHE 11 N -3.02 3.40 0.01 5.30 -0.71 -0.98 -1.86 117.98 120.11 1xo3 s PHE 11 Ca 0.04 1.31 0.00 0.00 -1.04 0.00 0.00 56.93 57.23 1xo3 s PHE 11 Cb 0.01 -2.63 0.00 0.00 -1.21 0.00 0.00 43.02 39.20 1xo3 s PHE 11 CO -0.04 -0.08 0.00 0.41 -1.34 0.00 0.00 175.22 174.16 1xo3 n GLY 12 N -0.87 -0.09 2.44 1.99 0.00 0.13 -4.76 105.19 104.03 1xo3 n GLY 12 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 2.29 4.61 2.55 -0.02 0.00 -1.09 -4.47 105.19 109.05 1xo3 n GLY 13 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 2.99 1.20 0.26 -0.02 0.00 -1.26 -3.97 105.19 104.39 1xo3 n GLY 14 Ca 0.69 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 1.31 0.00 4.61 0.00 -1.84 -2.26 119.26 121.08 1xo3 h ALA 15 Ca -0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xo3 h ALA 15 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xo3 h ALA 15 CO 0.35 0.14 -0.12 1.05 0.00 0.00 0.00 179.25 180.67 1xo3 h GLU 16 N 0.00 0.00 0.00 0.00 4.11 -1.89 -1.30 114.58 115.50 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 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1xo3 h GLU 16 CO 0.01 0.12 0.00 1.28 0.07 0.00 0.00 179.01 180.50 1xo3 n LEU 17 N -4.04 0.60 0.15 3.06 4.77 -0.85 0.14 117.00 120.83 1xo3 n LEU 17 Ca -0.02 0.69 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 1xo3 n LEU 17 Cb 0.21 -0.65 0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1xo3 n LEU 17 CO 0.33 -0.68 0.36 -0.07 -1.33 0.00 0.00 177.39 176.00 1xo3 h LEU 18 N 0.00 0.00 -2.99 2.23 3.38 -1.42 -3.35 115.31 113.16 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xo3 h LEU 18 CO 0.00 0.04 0.00 0.49 0.09 0.00 0.00 178.44 179.06 1xo3 n PHE 19 N -2.88 0.48 -1.00 1.13 3.72 0.12 -1.77 117.46 117.27 1xo3 n PHE 19 Ca 0.01 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 1xo3 n PHE 19 Cb 0.56 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.05 -3.12 0.00 4.37 2.03 -0.51 -3.50 116.55 115.87 1xo3 n ASP 20 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1xo3 n ASP 20 Cb 0.52 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.49 0.77 3.72 0.27 0.00 0.67 -4.97 105.19 103.16 1xo3 n GLY 21 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.21 0.00 1.61 0.11 -1.23 -4.96 120.40 118.14 1xo3 s VAL 22 Ca 0.00 1.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 1xo3 s VAL 22 Cb 0.00 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1xo3 s VAL 22 CO 0.00 0.21 0.00 0.29 -3.33 0.00 0.00 175.10 172.27 1xo3 n LYS 23 N 3.24 0.00 -3.18 1.54 5.02 -1.26 -4.53 118.16 119.00 1xo3 n LYS 23 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 1xo3 n LYS 23 Cb 0.48 -0.04 -0.06 0.00 -0.02 0.00 0.00 35.03 35.38 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 -0.18 4.20 -0.09 1.97 2.20 -1.26 -2.32 119.74 124.26 1xo3 s LYS 24 Ca 0.00 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.15 1xo3 s LYS 24 Cb 0.00 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1xo3 s LYS 24 CO 0.00 -0.21 -0.14 -1.58 -0.36 0.00 0.00 175.35 173.06 1xo3 s HIS 25 N 1.81 1.76 -0.16 4.03 2.46 0.27 -4.98 115.29 120.49 1xo3 s HIS 25 Ca 0.26 -0.73 -0.10 0.00 0.47 0.00 0.00 55.06 54.96 1xo3 s HIS 25 Cb -0.16 -1.27 -0.05 0.00 -0.13 0.00 0.00 32.58 30.98 1xo3 s HIS 25 CO 0.10 -0.37 0.18 -1.14 -2.47 0.00 0.00 174.74 171.05 1xo3 s GLN 26 N 0.77 4.00 -0.15 2.88 0.74 -1.26 0.19 119.66 126.83 1xo3 s GLN 26 Ca -0.12 -0.09 -0.00 0.00 0.05 0.00 0.00 55.36 55.20 1xo3 s GLN 26 Cb -0.16 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.64 1xo3 s GLN 26 CO 0.02 0.43 -0.08 0.54 -0.55 0.00 0.00 175.29 175.65 1xo3 s VAL 27 N -0.05 1.23 -0.06 1.34 0.11 -0.69 -4.99 120.40 117.28 1xo3 s VAL 27 Ca 0.13 -0.58 -0.24 0.00 -2.93 0.00 0.00 61.98 58.36 1xo3 s VAL 27 Cb -0.12 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1xo3 s VAL 27 CO 0.02 0.25 0.72 0.00 -3.33 0.00 0.00 175.10 172.76 1xo3 s ALA 28 N 1.60 3.32 0.23 1.54 0.00 -1.26 -2.63 121.76 124.56 1xo3 s ALA 28 Ca 0.02 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 1xo3 s ALA 28 Cb -0.14 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1xo3 s ALA 28 CO -0.08 -0.11 0.96 -0.51 0.00 0.00 0.00 175.76 176.02 1xo3 s LEU 29 N 0.82 4.62 0.26 0.00 2.01 -1.06 -4.86 118.68 120.46 1xo3 s LEU 29 Ca 0.39 1.97 -0.23 0.00 0.01 0.00 0.00 54.13 56.26 1xo3 s LEU 29 Cb -0.18 -3.61 -0.09 0.00 0.01 0.00 0.00 46.19 42.32 1xo3 s LEU 29 CO 0.19 0.10 0.83 -2.16 1.01 0.00 0.00 176.35 176.32 1xo3 s PRO 30 N -1.09 4.45 -1.37 1.29 0.05 -1.26 -4.45 135.00 132.62 1xo3 s PRO 30 Ca 0.42 1.12 -0.09 0.00 0.05 0.00 0.00 61.00 62.50 1xo3 s PRO 30 Cb -0.26 -2.90 0.10 0.00 0.05 0.00 0.00 34.50 31.48 1xo3 s PRO 30 CO 0.33 0.37 2.22 0.41 0.05 0.00 0.00 177.00 180.38 1xo3 n GLY 31 N 0.77 4.75 0.00 0.56 0.00 -1.26 -3.96 105.19 106.05 1xo3 n GLY 31 Ca -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 3.72 0.00 -0.00 1.61 -0.06 -1.26 -4.99 117.38 116.39 1xo3 n GLN 32 Ca 0.53 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.62 1xo3 n GLN 32 Cb 0.32 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.37 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1xo3 n GLU 33 N -0.18 0.66 -2.86 3.69 -0.58 -1.26 -5.05 120.64 115.06 1xo3 n GLU 33 Ca 0.00 -0.08 -0.08 0.00 -0.42 0.00 0.00 57.16 56.58 1xo3 n GLU 33 Cb 0.00 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.45 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xo3 n GLU 34 N -1.78 -2.43 -0.19 3.49 1.02 -1.25 -4.91 120.64 114.58 1xo3 n GLU 34 Ca 0.00 2.15 0.07 0.00 -0.02 0.00 0.00 57.16 59.36 1xo3 n GLU 34 Cb 0.39 -5.61 0.20 0.00 -0.02 0.00 0.00 31.44 26.40 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 -0.25 1.92 -1.03 3.49 -0.04 -1.26 -4.35 135.00 133.48 1xo3 n PRO 35 Ca 0.11 -1.42 -0.22 0.00 -0.04 0.00 0.00 63.50 61.93 1xo3 n PRO 35 Cb 0.44 -1.32 0.10 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.65 2.40 -0.97 0.54 5.03 -1.26 -4.77 117.44 119.06 1xo3 n TRP 36 Ca 0.14 -2.00 -0.33 0.00 3.03 0.00 0.00 57.50 58.34 1xo3 n TRP 36 Cb 0.34 -0.99 0.14 0.00 -1.03 0.00 0.00 31.31 29.77 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 -0.57 0.41 -0.34 -0.99 9.92 -1.25 -4.63 116.55 119.10 1xo3 n ASP 37 Ca 0.47 0.52 0.04 0.00 -0.53 0.00 0.00 54.79 55.29 1xo3 n ASP 37 Cb 1.04 -1.45 0.19 0.00 -0.64 0.00 0.00 41.12 40.26 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 -1.21 0.97 -0.64 0.53 1.08 -1.57 0.01 117.51 116.68 1xo3 h ILE 38 Ca -0.45 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1xo3 h ILE 38 Cb 1.29 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1xo3 h ILE 38 CO 0.43 0.18 0.40 0.08 -0.69 0.00 0.00 178.15 178.55 1xo3 h ARG 39 N 0.97 0.86 0.10 2.37 -0.00 -0.37 0.19 114.38 118.50 1xo3 h ARG 39 Ca 0.44 -0.07 -0.29 0.00 -0.00 0.00 0.00 59.98 60.06 1xo3 h ARG 39 Cb 0.35 -0.19 0.03 0.00 -0.00 0.00 0.00 29.97 30.16 1xo3 h ARG 39 CO -0.23 0.60 -1.21 -0.91 -0.00 0.00 0.00 179.97 178.22 1xo3 h ASN 40 N 0.88 0.86 0.00 0.08 2.35 -1.34 -2.92 115.58 115.50 1xo3 h ASN 40 Ca 0.23 -0.78 -0.08 0.00 -0.55 0.00 0.00 56.30 55.13 1xo3 h ASN 40 Cb -0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1xo3 h ASN 40 CO -0.05 1.58 -0.21 -0.07 -1.65 0.00 0.00 177.43 177.03 1xo3 h LEU 41 N 0.29 0.36 -1.27 1.61 -0.00 -0.80 -0.54 115.31 114.97 1xo3 h LEU 41 Ca -0.17 -0.10 0.04 0.00 -0.00 0.00 0.00 57.88 57.64 1xo3 h LEU 41 Cb 1.87 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 42.39 1xo3 h LEU 41 CO 0.23 0.58 0.52 0.25 -0.00 0.00 0.00 178.44 180.02 1xo3 h LEU 42 N 0.33 0.82 -0.12 1.67 6.46 -0.61 0.33 115.31 124.19 1xo3 h LEU 42 Ca 0.06 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1xo3 h LEU 42 Cb 0.56 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1xo3 h LEU 42 CO 0.04 0.56 -0.08 0.58 -0.62 0.00 0.00 178.44 178.92 1xo3 h VAL 43 N 0.95 1.33 -0.71 1.05 2.07 -1.07 -0.26 116.25 119.61 1xo3 h VAL 43 Ca 0.32 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.78 1xo3 h VAL 43 Cb 0.07 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1xo3 h VAL 43 CO -0.09 0.33 0.35 -0.25 0.02 0.00 0.00 177.57 177.93 1xo3 h TRP 44 N -0.09 0.63 -0.03 1.57 2.91 -0.41 0.46 115.95 120.98 1xo3 h TRP 44 Ca 0.03 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1xo3 h TRP 44 Cb 0.56 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1xo3 h TRP 44 CO 0.07 0.23 -0.00 0.82 -1.03 0.00 0.00 178.44 178.53 1xo3 h ILE 45 N 0.60 1.25 0.51 2.65 2.04 -0.29 -0.18 117.51 124.09 1xo3 h ILE 45 Ca 0.35 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1xo3 h ILE 45 Cb 0.36 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1xo3 h ILE 45 CO -0.27 0.20 -0.24 0.50 0.00 0.00 0.00 178.15 178.34 1xo3 h LYS 46 N -0.24 -0.66 -0.11 2.37 3.64 -0.51 0.55 116.57 121.61 1xo3 h LYS 46 Ca 0.01 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1xo3 h LYS 46 Cb 0.33 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xo3 h LYS 46 CO 0.00 -0.40 -0.06 0.87 -2.27 0.00 0.00 179.45 177.60 1xo3 h LYS 47 N -0.77 0.23 0.00 1.90 1.79 -0.15 -2.88 116.57 116.68 1xo3 h LYS 47 Ca -0.07 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1xo3 h LYS 47 Cb 0.56 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1xo3 h LYS 47 CO 0.11 0.58 -1.79 -1.71 -1.08 0.00 0.00 179.45 175.57 1xo3 n ASN 48 N -4.71 0.21 -0.02 0.86 5.15 -0.09 -4.66 115.26 112.00 1xo3 n ASN 48 Ca -0.06 -0.21 -0.03 0.00 -0.60 0.00 0.00 54.58 53.67 1xo3 n ASN 48 Cb 0.28 1.79 -0.02 0.00 -0.53 0.00 0.00 39.78 41.30 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xo3 n LEU 49 N -2.10 2.80 -4.62 1.20 7.94 -0.11 -4.97 117.00 117.14 1xo3 n LEU 49 Ca -0.02 -0.02 -0.43 0.00 -1.11 0.00 0.00 56.01 54.43 1xo3 n LEU 49 Cb 0.52 -0.17 -0.03 0.00 0.53 0.00 0.00 43.42 44.28 1xo3 n LEU 49 CO 0.45 0.55 1.42 -0.22 -1.11 0.00 0.00 177.39 178.48 1xo3 s LEU 50 N -5.35 3.81 -0.00 -1.96 1.98 0.17 -4.27 118.68 113.07 1xo3 s LEU 50 Ca -0.06 1.59 -0.08 0.00 -2.89 0.00 0.00 54.13 52.68 1xo3 s LEU 50 Cb 0.02 -3.53 -0.30 0.00 0.66 0.00 0.00 46.19 43.03 1xo3 s LEU 50 CO 0.11 -1.37 0.85 0.11 -1.89 0.00 0.00 176.35 174.17 1xo3 h LYS 51 N 11.28 0.36 0.00 1.98 1.57 -1.64 -3.46 116.57 126.66 1xo3 h LYS 51 Ca -0.34 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 57.82 1xo3 h LYS 51 Cb 1.16 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1xo3 h LYS 51 CO 1.01 1.26 0.00 -0.85 -0.57 0.00 0.00 179.45 180.29 1xo3 n GLU 52 N -3.56 3.98 -2.63 3.15 0.28 -1.26 -5.04 120.64 115.56 1xo3 n GLU 52 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.39 1xo3 n GLU 52 Cb 1.07 0.00 -0.02 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 3.96 4.38 0.00 3.44 1.81 -1.26 -4.90 118.95 126.37 1xo3 s ARG 53 Ca 0.00 1.45 0.15 0.00 -1.72 0.00 0.00 55.73 55.61 1xo3 s ARG 53 Cb 0.00 -3.57 0.80 0.00 -0.45 0.00 0.00 34.95 31.73 1xo3 s ARG 53 CO 0.00 -0.40 1.41 -2.30 -0.68 0.00 0.00 175.30 173.33 1xo3 n PRO 54 N 5.30 0.27 -0.09 3.54 -0.02 -1.26 -3.52 135.00 139.22 1xo3 n PRO 54 Ca 0.10 0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 1xo3 n PRO 54 Cb 0.48 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.75 -0.21 -0.52 4.39 -1.90 0.25 114.58 117.33 1xo3 h GLU 55 Ca 0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xo3 h GLU 55 Cb 0.11 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1xo3 h GLU 55 CO 0.00 0.72 0.00 1.47 -1.16 0.00 0.00 179.01 180.04 1xo3 n LEU 56 N -4.26 1.67 0.00 1.33 -0.00 -1.23 -4.83 117.00 109.68 1xo3 n LEU 56 Ca 0.03 -0.74 0.00 0.00 -0.00 0.00 0.00 56.01 55.30 1xo3 n LEU 56 Cb 0.25 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1xo3 n LEU 56 CO 0.40 0.37 0.00 0.33 -0.00 0.00 0.00 177.39 178.49 1xo3 n PHE 57 N 0.34 -0.31 -1.72 1.47 7.35 0.08 -4.99 117.46 119.68 1xo3 n PHE 57 Ca 0.15 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.53 1xo3 n PHE 57 Cb 0.31 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.17 1xo3 n PHE 57 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1xo3 s ILE 58 N 0.78 4.36 0.35 -2.13 -1.09 -1.24 -4.65 121.20 117.58 1xo3 s ILE 58 Ca 0.00 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.05 1xo3 s ILE 58 Cb 0.00 -3.63 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1xo3 s ILE 58 CO 0.00 -1.00 0.75 0.00 -1.23 0.00 0.00 174.94 173.45 1xo3 s GLN 59 N -5.12 3.92 -0.10 2.79 0.00 -1.26 -4.83 119.66 115.05 1xo3 s GLN 59 Ca 0.57 0.59 -0.02 0.00 -0.00 0.00 0.00 55.36 56.49 1xo3 s GLN 59 Cb -0.12 -2.42 -0.07 0.00 0.00 0.00 0.00 33.01 30.40 1xo3 s GLN 59 CO 0.54 0.09 1.47 0.41 0.00 0.00 0.00 175.29 177.80 1xo3 n GLY 60 N -0.70 1.78 1.59 2.60 0.00 -1.26 -3.65 105.19 105.54 1xo3 n GLY 60 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 3.22 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 123.07 1xo3 n ASP 61 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1xo3 n ASP 61 Cb 0.23 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.19 0.00 -3.80 -2.24 2.88 -1.24 -3.89 113.62 103.14 1xo3 n SER 62 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1xo3 n SER 62 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.43 0.08 0.61 2.46 -7.23 -1.26 -4.79 120.40 109.84 1xo3 s VAL 63 Ca 0.00 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 1xo3 s VAL 63 Cb 0.00 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1xo3 s VAL 63 CO 0.00 -0.35 1.02 0.00 -0.31 0.00 0.00 175.10 175.46 1xo3 s ARG 64 N -1.75 3.61 0.36 4.82 1.70 -1.26 -4.60 118.95 121.83 1xo3 s ARG 64 Ca -0.11 0.73 0.21 0.00 -0.47 0.00 0.00 55.73 56.09 1xo3 s ARG 64 Cb -0.04 -2.10 1.16 0.00 -0.57 0.00 0.00 34.95 33.40 1xo3 s ARG 64 CO 0.01 -0.54 1.63 -1.35 -1.08 0.00 0.00 175.30 173.96 1xo3 h PRO 65 N -0.25 0.00 0.01 3.89 0.11 -2.02 -1.71 132.00 132.03 1xo3 h PRO 65 Ca -0.44 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.45 1xo3 h PRO 65 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1xo3 h PRO 65 CO 0.62 0.00 -1.09 0.78 -0.21 0.00 0.00 178.00 178.10 1xo3 h GLY 66 N 0.00 0.02 -5.42 -0.55 0.00 -1.95 -3.45 103.07 91.71 1xo3 h GLY 66 Ca 0.00 -0.05 -0.67 0.00 0.00 0.00 0.00 47.33 46.62 1xo3 h GLY 66 CO 0.00 0.04 -0.77 -0.42 0.00 0.00 0.00 176.54 175.39 1xo3 s ILE 67 N -2.69 2.98 -0.10 2.60 1.01 -0.64 0.30 121.20 124.65 1xo3 s ILE 67 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 1xo3 s ILE 67 Cb 0.10 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1xo3 s ILE 67 CO 0.82 0.54 0.14 -0.76 0.00 0.00 0.00 174.94 175.69 1xo3 s LEU 68 N 0.07 4.35 -0.10 2.97 1.43 0.12 -4.44 118.68 123.09 1xo3 s LEU 68 Ca -0.06 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1xo3 s LEU 68 Cb -0.15 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.95 1xo3 s LEU 68 CO 0.05 0.39 -0.19 -0.69 0.23 0.00 0.00 176.35 176.13 1xo3 s VAL 69 N -1.06 1.73 -0.29 -1.59 1.01 -1.26 0.53 120.40 119.46 1xo3 s VAL 69 Ca 0.17 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1xo3 s VAL 69 Cb -0.12 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1xo3 s VAL 69 CO 0.06 0.49 0.67 -0.76 0.00 0.00 0.00 175.10 175.55 1xo3 s LEU 70 N 0.57 4.12 -0.55 3.92 1.43 -0.37 -2.02 118.68 125.78 1xo3 s LEU 70 Ca -0.15 0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.25 1xo3 s LEU 70 Cb -0.17 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.21 1xo3 s LEU 70 CO 0.05 -0.49 0.97 -0.63 0.23 0.00 0.00 176.35 176.48 1xo3 s ILE 71 N 2.67 4.35 0.00 -0.59 -1.09 0.87 -1.75 121.20 125.66 1xo3 s ILE 71 Ca 0.27 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 1xo3 s ILE 71 Cb -0.15 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.18 1xo3 s ILE 71 CO 0.11 -1.12 0.00 -3.20 -1.23 0.00 0.00 174.94 169.50 1xo3 n ASN 72 N 7.56 0.00 -0.40 3.58 2.85 -0.64 -1.51 115.26 126.70 1xo3 n ASN 72 Ca 0.03 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.49 1xo3 n ASN 72 Cb 0.48 0.00 -0.01 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 3.53 -0.13 -4.24 1.20 2.03 -1.26 -2.96 116.55 114.72 1xo3 n ASP 73 Ca 0.00 -0.37 -0.16 0.00 0.52 0.00 0.00 54.79 54.78 1xo3 n ASP 73 Cb 0.00 0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 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 1.70 -0.25 -1.67 0.00 -0.57 -5.01 121.76 115.96 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 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1xo3 s ALA 74 CO 0.00 -0.49 1.98 -0.51 0.00 0.00 0.00 175.76 176.74 1xo3 s ASP 75 N -3.30 5.78 0.23 0.00 1.11 -1.26 -0.09 116.67 119.13 1xo3 s ASP 75 Ca 0.38 1.68 -0.07 0.00 0.18 0.00 0.00 52.55 54.71 1xo3 s ASP 75 Cb 0.07 -2.52 0.39 0.00 1.07 0.00 0.00 42.92 41.93 1xo3 s ASP 75 CO 0.14 -1.74 1.68 4.11 1.18 0.00 0.00 175.17 180.55 1xo3 h TRP 76 N 13.49 0.16 -0.76 4.23 0.09 -1.74 -2.64 115.95 128.78 1xo3 h TRP 76 Ca -0.38 0.04 -0.05 0.00 0.09 0.00 0.00 58.89 58.60 1xo3 h TRP 76 Cb 1.20 0.03 -0.03 0.00 0.08 0.00 0.00 29.16 30.44 1xo3 h TRP 76 CO 0.94 -0.10 0.29 1.05 0.09 0.00 0.00 178.44 180.71 1xo3 h GLU 77 N 0.22 1.14 0.00 0.12 4.11 -1.89 0.10 114.58 118.38 1xo3 h GLU 77 Ca 0.37 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1xo3 h GLU 77 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xo3 h GLU 77 CO -0.50 0.94 0.00 1.28 0.07 0.00 0.00 179.01 180.79 1xo3 n LEU 78 N -4.30 0.61 -0.10 3.06 4.77 -1.02 -3.61 117.00 116.40 1xo3 n LEU 78 Ca 0.06 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1xo3 n LEU 78 Cb 0.19 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 1xo3 n LEU 78 CO 0.41 -0.21 -1.14 0.18 -1.33 0.00 0.00 177.39 175.30 1xo3 n LEU 79 N -2.09 0.16 0.00 2.23 4.32 -0.46 -5.00 117.00 116.16 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 0.37 0.40 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 1xo3 n LEU 79 CO 0.27 0.50 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 1xo3 n GLY 80 N 1.84 1.00 7.00 -0.72 0.00 0.05 -5.08 105.19 109.27 1xo3 n GLY 80 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.13 -3.25 120.64 119.04 1xo3 n GLU 81 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1xo3 n GLU 81 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 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 -0.67 -4.05 -1.84 -0.00 -1.26 -2.53 117.00 106.65 1xo3 n LEU 82 Ca 0.00 1.69 -0.43 0.00 -0.00 0.00 0.00 56.01 57.27 1xo3 n LEU 82 Cb 0.00 -0.37 0.01 0.00 -0.00 0.00 0.00 43.42 43.06 1xo3 n LEU 82 CO 0.00 -1.50 1.37 -0.67 -0.00 0.00 0.00 177.39 176.58 1xo3 n ASP 83 N -5.40 5.78 -4.33 1.45 2.03 -1.20 0.19 116.55 115.07 1xo3 n ASP 83 Ca 0.09 -3.23 -0.36 0.00 0.52 0.00 0.00 54.79 51.81 1xo3 n ASP 83 Cb 0.37 -1.38 -0.13 0.00 -0.72 0.00 0.00 41.12 39.26 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 -1.20 3.06 -0.86 -0.67 2.02 -1.05 -4.96 117.35 113.70 1xo3 s TYR 84 Ca 0.35 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 1xo3 s TYR 84 Cb 0.04 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1xo3 s TYR 84 CO 0.04 -0.55 0.34 0.00 -1.57 0.00 0.00 175.55 173.81 1xo3 n GLN 85 N 4.83 0.60 -1.52 -0.62 -0.00 -1.26 -3.85 117.38 115.56 1xo3 n GLN 85 Ca -0.16 0.00 0.09 0.00 -0.00 0.00 0.00 57.00 56.92 1xo3 n GLN 85 Cb 0.49 -1.29 -0.05 0.00 -0.00 0.00 0.00 30.24 29.40 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 0.27 -1.34 -0.00 2.61 7.99 -1.26 -4.96 117.00 120.31 1xo3 n LEU 86 Ca 0.00 2.61 -0.00 0.00 -0.01 0.00 0.00 56.01 58.61 1xo3 n LEU 86 Cb 0.17 -3.13 -0.00 0.00 -0.11 0.00 0.00 43.42 40.35 1xo3 n LEU 86 CO 0.00 -1.47 -0.04 0.00 -1.51 0.00 0.00 177.39 174.37 1xo3 n GLN 87 N -3.50 0.03 0.00 3.23 3.00 -1.26 -5.14 117.38 113.74 1xo3 n GLN 87 Ca -0.05 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1xo3 n GLN 87 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 30.24 30.53 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 -2.69 0.00 -1.43 1.08 2.03 -1.26 -4.88 116.55 109.40 1xo3 n ASP 88 Ca -0.01 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.13 1xo3 n ASP 88 Cb 0.03 0.00 -0.07 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 -0.72 -1.24 -1.60 -0.67 1.13 0.14 -4.88 117.38 109.54 1xo3 n GLN 89 Ca 0.00 1.08 -0.43 0.00 -1.94 0.00 0.00 57.00 55.71 1xo3 n GLN 89 Cb 0.00 -5.35 -0.03 0.00 0.11 0.00 0.00 30.24 24.97 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 -0.89 3.19 -4.43 1.08 9.92 -1.21 -4.81 116.55 119.41 1xo3 n ASP 90 Ca -0.18 0.16 -0.44 0.00 -0.53 0.00 0.00 54.79 53.80 1xo3 n ASP 90 Cb 0.59 -1.56 -0.03 0.00 -0.64 0.00 0.00 41.12 39.47 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1xo3 s SER 91 N 8.58 6.37 -0.49 -2.24 0.15 -1.16 0.91 113.70 125.83 1xo3 s SER 91 Ca 1.01 -1.56 -0.21 0.00 0.70 0.00 0.00 55.95 55.89 1xo3 s SER 91 Cb -0.33 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1xo3 s SER 91 CO 0.35 -1.19 0.71 -0.63 1.20 0.00 0.00 173.24 173.68 1xo3 s ILE 92 N 3.09 4.73 -0.14 6.45 -1.09 0.12 -1.61 121.20 132.75 1xo3 s ILE 92 Ca 0.24 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 1xo3 s ILE 92 Cb -0.14 -4.33 -0.01 0.00 -1.58 0.00 0.00 42.46 36.41 1xo3 s ILE 92 CO 0.01 -0.81 -0.15 -0.22 -1.23 0.00 0.00 174.94 172.54 1xo3 s LEU 93 N 3.03 2.55 -0.36 2.97 0.20 -0.72 -1.18 118.68 125.18 1xo3 s LEU 93 Ca 0.22 -0.41 -0.14 0.00 0.69 0.00 0.00 54.13 54.49 1xo3 s LEU 93 Cb -0.16 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.03 1xo3 s LEU 93 CO 0.16 0.13 0.29 -0.36 -0.29 0.00 0.00 176.35 176.29 1xo3 s PHE 94 N 0.53 3.22 -0.33 5.38 0.40 -0.78 -1.23 117.98 125.17 1xo3 s PHE 94 Ca -0.10 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1xo3 s PHE 94 Cb -0.16 -2.57 0.07 0.00 0.51 0.00 0.00 43.02 40.88 1xo3 s PHE 94 CO 0.04 -0.44 0.05 0.42 0.70 0.00 0.00 175.22 175.99 1xo3 s ILE 95 N 1.80 2.88 -0.19 0.64 1.09 0.19 0.23 121.20 127.82 1xo3 s ILE 95 Ca 0.07 -1.74 -0.29 0.00 -1.10 0.00 0.00 60.65 57.60 1xo3 s ILE 95 Cb -0.18 -2.81 -0.03 0.00 -1.06 0.00 0.00 42.46 38.38 1xo3 s ILE 95 CO 0.11 -0.33 1.71 -0.55 -0.10 0.00 0.00 174.94 175.77 1xo3 s SER 96 N 1.34 6.30 -0.02 3.58 0.15 -1.25 0.11 113.70 123.90 1xo3 s SER 96 Ca 0.00 1.75 0.17 0.00 0.70 0.00 0.00 55.95 58.58 1xo3 s SER 96 Cb -0.20 -2.53 0.52 0.00 -1.71 0.00 0.00 66.02 62.10 1xo3 s SER 96 CO -0.03 -1.30 1.43 1.07 1.20 0.00 0.00 173.24 175.60 1xo3 n THR 97 N 6.44 0.95 0.26 6.45 5.66 0.15 -2.60 114.28 131.59 1xo3 n THR 97 Ca 0.20 -0.81 0.15 0.00 -3.05 0.00 0.00 64.05 60.54 1xo3 n THR 97 Cb 0.45 0.29 0.67 0.00 -1.55 0.00 0.00 70.33 70.18 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1xo3 h LEU 98 N 3.31 0.00 0.00 1.09 3.38 -1.87 -3.39 115.31 117.83 1xo3 h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xo3 h LEU 98 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1xo3 h LEU 98 CO 0.05 0.08 0.00 1.57 0.09 0.00 0.00 178.44 180.24 1xo3 n HIS 99 N -3.26 -0.07 0.00 1.13 -0.00 -1.25 -5.08 115.22 106.69 1xo3 n HIS 99 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xo3 n HIS 99 Cb 0.31 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xo3 n GLY 100 N 0.56 2.26 0.00 1.57 0.00 -1.07 -5.16 105.19 103.34 1xo3 n GLY 100 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93