#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sye s LEU 7 N 0.00 3.59 -0.05 -0.35 1.02 -1.26 -5.10 118.68 116.53 1sye s LEU 7 Ca 0.00 1.24 -0.05 0.00 0.02 0.00 0.00 54.13 55.34 1sye s LEU 7 Cb 0.00 -4.19 0.01 0.00 0.02 0.00 0.00 46.19 42.03 1sye s LEU 7 CO 0.00 -0.60 0.14 -1.38 0.02 0.00 0.00 176.35 174.53 1sye s HIS 8 N -2.72 -0.16 0.16 0.29 -3.43 -1.26 -5.12 115.29 103.06 1sye s HIS 8 Ca 0.53 0.38 -0.28 0.00 -0.80 0.00 0.00 55.06 54.89 1sye s HIS 8 Cb -0.10 0.05 -0.07 0.00 -1.43 0.00 0.00 32.58 31.02 1sye s HIS 8 CO 0.40 -0.08 0.87 0.15 -2.00 0.00 0.00 174.74 174.08 1sye s LYS 9 N 0.12 4.68 0.05 -0.38 1.02 -1.26 -4.43 119.74 119.54 1sye s LYS 9 Ca -0.00 1.31 0.08 0.00 0.02 0.00 0.00 55.97 57.38 1sye s LYS 9 Cb -0.01 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1sye s LYS 9 CO -0.00 0.43 -0.23 -1.21 -0.92 0.00 0.00 175.35 173.42 1sye s GLU 10 N -0.73 1.52 0.71 1.68 2.02 0.99 -4.91 118.70 119.98 1sye s GLU 10 Ca 0.40 -1.03 -0.13 0.00 0.02 0.00 0.00 54.97 54.23 1sye s GLU 10 Cb -0.24 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.33 1sye s GLU 10 CO 0.28 0.43 1.11 -1.25 0.02 0.00 0.00 175.26 175.85 1sye s PRO 11 N -1.27 2.56 0.19 0.39 0.04 -1.26 0.37 135.00 136.01 1sye s PRO 11 Ca 0.09 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 1sye s PRO 11 Cb -0.09 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1sye s PRO 11 CO 0.02 -1.43 0.55 0.00 0.04 0.00 0.00 177.00 176.18 1sye s ALA 12 N -2.53 -1.11 -0.07 8.56 0.00 -1.03 -4.70 121.76 120.88 1sye s ALA 12 Ca 0.65 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1sye s ALA 12 Cb -0.20 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1sye s ALA 12 CO 0.47 -0.80 -0.16 0.99 0.00 0.00 0.00 175.76 176.26 1sye s THR 13 N -3.84 1.42 0.30 0.00 2.01 -0.78 -4.27 115.64 110.47 1sye s THR 13 Ca 0.07 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1sye s THR 13 Cb -0.01 -1.25 -0.11 0.00 0.01 0.00 0.00 72.50 71.14 1sye s THR 13 CO -0.05 0.42 1.48 -0.22 -0.69 0.00 0.00 174.62 175.56 1sye s LEU 14 N 0.47 4.36 -0.05 4.42 2.96 -1.26 -0.47 118.68 129.11 1sye s LEU 14 Ca -0.14 2.83 -0.06 0.00 -0.22 0.00 0.00 54.13 56.54 1sye s LEU 14 Cb -0.16 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 1sye s LEU 14 CO 0.05 -0.78 -0.12 -0.38 -1.32 0.00 0.00 176.35 173.79 1sye n ILE 15 N 1.73 0.70 -3.57 6.68 5.41 -0.51 -4.81 119.36 124.99 1sye n ILE 15 Ca 0.05 0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.96 1sye n ILE 15 Cb 0.39 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.52 1sye n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1sye s LYS 16 N -1.81 0.76 0.03 0.38 -2.85 -0.91 -5.02 119.74 110.32 1sye s LYS 16 Ca -0.10 0.30 -0.27 0.00 -1.00 0.00 0.00 55.97 54.90 1sye s LYS 16 Cb 0.01 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1sye s LYS 16 CO 0.15 -0.21 0.84 0.00 0.10 0.00 0.00 175.35 176.22 1sye s ALA 17 N -0.87 3.30 -0.19 0.59 0.00 -1.26 -0.39 121.76 122.93 1sye s ALA 17 Ca -0.04 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1sye s ALA 17 Cb -0.01 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 1sye s ALA 17 CO 0.04 -0.04 -0.19 -0.89 0.00 0.00 0.00 175.76 174.68 1sye n ILE 18 N 3.17 1.05 -3.95 0.00 5.41 -0.52 -4.93 119.36 119.60 1sye n ILE 18 Ca 0.00 -0.36 -0.11 0.00 1.00 0.00 0.00 62.75 63.29 1sye n ILE 18 Cb 0.50 -1.35 -0.02 0.00 -0.71 0.00 0.00 39.64 38.06 1sye n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sye s ASP 19 N -6.10 0.29 0.29 4.38 -1.08 -0.78 -4.97 116.67 108.71 1sye s ASP 19 Ca -0.25 -1.18 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 1sye s ASP 19 Cb 0.08 0.73 0.50 0.00 -1.46 0.00 0.00 42.92 42.77 1sye s ASP 19 CO 0.39 -1.42 1.90 1.23 0.52 0.00 0.00 175.17 177.80 1sye h GLY 20 N 2.09 1.37 -1.65 2.66 0.00 -1.84 -3.07 103.07 102.63 1sye h GLY 20 Ca -0.28 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1sye h GLY 20 CO 0.37 0.30 0.00 2.09 0.00 0.00 0.00 176.54 179.31 1sye n ASP 21 N -4.49 2.98 -3.82 0.19 5.75 -1.26 -4.73 116.55 111.16 1sye n ASP 21 Ca 0.14 -1.88 -0.16 0.00 -0.01 0.00 0.00 54.79 52.88 1sye n ASP 21 Cb 0.20 -0.21 -0.16 0.00 -1.03 0.00 0.00 41.12 39.92 1sye n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1sye s THR 22 N -1.13 0.14 0.02 2.12 2.01 -1.16 -1.05 115.64 116.59 1sye s THR 22 Ca 0.28 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1sye s THR 22 Cb 0.16 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 1sye s THR 22 CO 0.22 0.13 -0.05 0.68 -0.69 0.00 0.00 174.62 174.91 1sye s VAL 23 N 0.96 0.33 -0.20 3.82 -7.23 -0.70 -1.43 120.40 115.94 1sye s VAL 23 Ca -0.09 -0.63 -0.10 0.00 -1.81 0.00 0.00 61.98 59.35 1sye s VAL 23 Cb -0.13 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 1sye s VAL 23 CO -0.02 -0.20 0.12 -0.75 -0.31 0.00 0.00 175.10 173.94 1sye s LYS 24 N -0.89 4.16 0.11 4.82 2.20 0.47 -0.04 119.74 130.58 1sye s LYS 24 Ca -0.06 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 1sye s LYS 24 Cb -0.06 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1sye s LYS 24 CO -0.00 0.29 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.68 1sye s LEU 25 N 0.37 2.48 -0.27 5.43 1.43 0.19 -1.43 118.68 126.88 1sye s LEU 25 Ca 0.07 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 1sye s LEU 25 Cb -0.11 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1sye s LEU 25 CO -0.02 -0.34 0.50 -0.32 0.23 0.00 0.00 176.35 176.41 1sye s MET 26 N -3.38 4.00 -0.07 1.70 -2.45 0.38 0.26 119.30 119.74 1sye s MET 26 Ca 0.11 0.23 -0.00 0.00 -1.25 0.00 0.00 55.69 54.77 1sye s MET 26 Cb 0.01 -3.67 0.02 0.00 1.25 0.00 0.00 34.83 32.44 1sye s MET 26 CO -0.01 -0.39 -0.03 -0.47 1.05 0.00 0.00 175.02 175.17 1sye s TYR 27 N 2.30 0.83 -1.41 4.11 5.04 0.26 -1.87 117.35 126.62 1sye s TYR 27 Ca 0.20 -0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.55 1sye s TYR 27 Cb -0.16 -0.81 0.01 0.00 0.35 0.00 0.00 41.96 41.35 1sye s TYR 27 CO 0.10 -0.30 0.48 1.63 -1.34 0.00 0.00 175.55 176.12 1sye n LYS 28 N 4.65 -3.55 -0.91 4.97 5.02 -1.26 -0.81 118.16 126.27 1sye n LYS 28 Ca -0.15 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1sye n LYS 28 Cb 0.50 -4.66 0.00 0.00 -0.02 0.00 0.00 35.03 30.86 1sye n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sye n GLY 29 N -1.90 0.55 3.19 0.72 0.00 -1.26 -5.00 105.19 101.48 1sye n GLY 29 Ca -0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1sye n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sye s GLN 30 N -0.44 0.91 0.05 1.61 -2.07 0.01 -5.09 119.66 114.64 1sye s GLN 30 Ca 0.00 -0.97 -0.31 0.00 -1.82 0.00 0.00 55.36 52.27 1sye s GLN 30 Cb 0.00 -0.98 -0.06 0.00 -1.09 0.00 0.00 33.01 30.88 1sye s GLN 30 CO 0.00 0.22 1.32 -1.25 -1.32 0.00 0.00 175.29 174.26 1sye s PRO 31 N -1.67 4.35 0.00 9.60 0.04 -1.26 0.91 135.00 146.97 1sye s PRO 31 Ca 0.00 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1sye s PRO 31 Cb -0.10 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 1sye s PRO 31 CO 0.02 -0.43 0.01 -1.64 0.04 0.00 0.00 177.00 175.01 1sye s MET 32 N 1.59 0.15 -0.06 4.56 -1.94 0.14 -4.92 119.30 118.82 1sye s MET 32 Ca 0.62 -0.22 -0.16 0.00 -1.71 0.00 0.00 55.69 54.22 1sye s MET 32 Cb -0.32 0.06 -0.05 0.00 2.01 0.00 0.00 34.83 36.53 1sye s MET 32 CO 0.28 -0.03 0.43 0.99 -0.01 0.00 0.00 175.02 176.68 1sye s THR 33 N -0.58 5.12 -0.05 2.05 2.01 -1.26 -0.64 115.64 122.29 1sye s THR 33 Ca -0.06 0.86 0.05 0.00 0.31 0.00 0.00 61.69 62.85 1sye s THR 33 Cb -0.04 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1sye s THR 33 CO -0.00 0.45 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.82 1sye s PHE 34 N -0.20 2.54 -0.18 4.92 0.40 0.95 -0.74 117.98 125.66 1sye s PHE 34 Ca 0.24 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 56.11 1sye s PHE 34 Cb -0.16 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1sye s PHE 34 CO 0.11 0.00 0.03 0.50 0.70 0.00 0.00 175.22 176.57 1sye s ARG 35 N -0.49 3.84 0.00 0.44 6.06 0.18 -1.72 118.95 127.25 1sye s ARG 35 Ca 0.06 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.58 1sye s ARG 35 Cb -0.11 -3.14 -0.06 0.00 0.06 0.00 0.00 34.95 31.69 1sye s ARG 35 CO 0.01 0.20 1.58 -0.51 -2.50 0.00 0.00 175.30 174.07 1sye s LEU 36 N 0.55 4.33 0.51 -0.88 1.43 -0.22 -2.78 118.68 121.63 1sye s LEU 36 Ca 0.01 2.28 -0.22 0.00 -1.03 0.00 0.00 54.13 55.17 1sye s LEU 36 Cb -0.13 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 1sye s LEU 36 CO 0.02 -0.85 1.31 -0.76 0.23 0.00 0.00 176.35 176.29 1sye s LEU 37 N 3.09 3.92 -0.26 1.79 1.43 -0.04 -3.84 118.68 124.77 1sye s LEU 37 Ca 0.70 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 56.45 1sye s LEU 37 Cb -0.35 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1sye s LEU 37 CO 0.29 -1.36 0.00 0.18 0.23 0.00 0.00 176.35 175.69 1sye n LEU 38 N -0.81 0.66 -4.26 1.79 4.77 -1.26 -4.92 117.00 112.96 1sye n LEU 38 Ca 0.09 0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 1sye n LEU 38 Cb 0.46 -2.44 -0.11 0.00 -2.33 0.00 0.00 43.42 38.99 1sye n LEU 38 CO 0.52 -0.96 -0.46 0.68 -1.33 0.00 0.00 177.39 175.84 1sye s VAL 39 N -1.16 1.43 -0.20 4.08 -7.23 -1.25 -1.50 120.40 114.57 1sye s VAL 39 Ca 0.00 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1sye s VAL 39 Cb 0.00 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.40 1sye s VAL 39 CO 0.00 -0.39 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.57 1sye s ASP 40 N -2.49 3.21 0.21 4.85 1.01 0.06 -4.75 116.67 118.77 1sye s ASP 40 Ca 0.10 -0.90 0.04 0.00 0.71 0.00 0.00 52.55 52.50 1sye s ASP 40 Cb -0.05 -0.88 -0.03 0.00 1.01 0.00 0.00 42.92 42.97 1sye s ASP 40 CO 0.04 -0.25 0.32 0.42 0.21 0.00 0.00 175.17 175.91 1sye s THR 41 N 1.64 5.24 0.36 -1.27 -4.23 -1.26 -1.05 115.64 115.07 1sye s THR 41 Ca -0.02 -0.89 -0.28 0.00 -1.18 0.00 0.00 61.69 59.32 1sye s THR 41 Cb -0.17 -3.79 -0.10 0.00 1.34 0.00 0.00 72.50 69.78 1sye s THR 41 CO -0.07 -0.24 1.31 -2.84 -0.54 0.00 0.00 174.62 172.24 1sye s PRO 42 N -3.68 4.20 0.32 3.99 0.02 -1.26 -4.93 135.00 133.65 1sye s PRO 42 Ca 0.34 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.51 1sye s PRO 42 Cb -0.10 -2.94 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 1sye s PRO 42 CO 0.29 -0.31 0.59 -1.21 -0.33 0.00 0.00 177.00 176.02 1sye s GLU 43 N -1.98 3.61 -0.00 5.54 8.01 -1.26 -4.33 118.70 128.28 1sye s GLU 43 Ca 0.52 -0.01 0.04 0.00 0.01 0.00 0.00 54.97 55.54 1sye s GLU 43 Cb -0.39 -2.61 -0.06 0.00 -4.31 0.00 0.00 34.13 26.76 1sye s GLU 43 CO 0.51 0.15 0.14 0.25 0.01 0.00 0.00 175.26 176.33 1sye n THR 44 N -1.21 0.00 -2.38 3.63 -2.24 -1.26 -0.49 114.28 110.33 1sye n THR 44 Ca -0.02 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 1sye n THR 44 Cb 0.54 0.73 0.03 0.00 -2.10 0.00 0.00 70.33 69.53 1sye n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sye n LYS 45 N -1.35 2.80 -2.04 -0.78 5.02 -1.26 -4.58 118.16 115.98 1sye n LYS 45 Ca 0.00 -3.89 -0.43 0.00 -2.02 0.00 0.00 58.31 51.97 1sye n LYS 45 Cb 0.09 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 1sye n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1sye s HIS 46 N -3.68 2.02 0.42 2.13 2.46 -1.14 -4.86 115.29 112.64 1sye s HIS 46 Ca 0.41 0.34 0.27 0.00 0.47 0.00 0.00 55.06 56.55 1sye s HIS 46 Cb 0.37 -3.92 1.36 0.00 -0.13 0.00 0.00 32.58 30.27 1sye s HIS 46 CO 0.00 -3.50 1.64 -1.35 -2.47 0.00 0.00 174.74 169.06 1sye h PRO 47 N 10.07 0.12 0.00 2.88 0.11 -1.97 -3.30 132.00 139.92 1sye h PRO 47 Ca -0.37 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1sye h PRO 47 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1sye h PRO 47 CO 0.97 0.08 -0.85 1.63 -0.21 0.00 0.00 178.00 179.62 1sye n LYS 48 N -4.75 0.27 0.00 1.05 5.02 -1.26 -4.90 118.16 113.59 1sye n LYS 48 Ca 0.36 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1sye n LYS 48 Cb 1.34 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1sye n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sye n LYS 49 N -3.88 0.94 0.00 1.97 5.02 -1.24 -5.03 118.16 115.93 1sye n LYS 49 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1sye n LYS 49 Cb 0.38 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1sye n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sye n GLY 50 N 0.30 1.79 3.23 0.72 0.00 -1.24 -4.52 105.19 105.47 1sye n GLY 50 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1sye n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sye s VAL 51 N 0.00 3.24 0.54 1.61 1.01 -1.26 -2.89 120.40 122.65 1sye s VAL 51 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 1sye s VAL 51 Cb 0.00 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1sye s VAL 51 CO 0.00 0.02 1.00 -1.61 0.00 0.00 0.00 175.10 174.51 1sye s GLU 52 N 1.34 3.84 0.08 2.72 2.02 0.35 -4.97 118.70 124.09 1sye s GLU 52 Ca -0.01 0.93 -0.31 0.00 0.02 0.00 0.00 54.97 55.60 1sye s GLU 52 Cb -0.18 -2.12 -0.08 0.00 0.10 0.00 0.00 34.13 31.85 1sye s GLU 52 CO -0.01 -0.36 1.63 0.21 0.02 0.00 0.00 175.26 176.75 1sye s LYS 53 N -4.27 4.20 0.00 1.61 2.20 -1.26 -1.38 119.74 120.84 1sye s LYS 53 Ca 0.58 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 1sye s LYS 53 Cb -0.10 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1sye s LYS 53 CO 0.36 -0.71 0.00 0.66 -0.36 0.00 0.00 175.35 175.30 1sye n TYR 54 N 5.33 0.00 0.32 4.03 4.01 -1.26 -4.81 117.16 124.78 1sye n TYR 54 Ca 0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.72 1sye n TYR 54 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.35 1sye n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sye h GLY 55 N 0.00 -0.93 0.78 2.72 0.00 -1.42 0.41 103.07 104.62 1sye h GLY 55 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.76 1sye h GLY 55 CO 0.00 -0.34 0.38 -2.55 0.00 0.00 0.00 176.54 174.03 1sye h PRO 56 N -0.87 0.70 -0.33 4.80 0.11 -1.88 0.15 132.00 134.68 1sye h PRO 56 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1sye h PRO 56 Cb 0.70 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1sye h PRO 56 CO 0.07 0.46 0.11 0.93 -0.21 0.00 0.00 178.00 179.37 1sye h GLU 57 N 0.72 0.51 -0.37 1.05 3.07 -1.90 -0.59 114.58 117.07 1sye h GLU 57 Ca 0.28 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 1sye h GLU 57 Cb 0.10 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1sye h GLU 57 CO -0.14 0.53 -0.09 0.00 -1.40 0.00 0.00 179.01 177.91 1sye h ALA 58 N 0.95 1.15 -0.17 3.43 0.00 0.19 -1.30 119.26 123.51 1sye h ALA 58 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sye h ALA 58 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sye h ALA 58 CO -0.01 0.54 -0.03 0.77 0.00 0.00 0.00 179.25 180.52 1sye h SER 59 N 0.58 0.33 -0.86 0.00 0.02 -0.88 -0.97 113.55 111.78 1sye h SER 59 Ca 0.11 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1sye h SER 59 Cb 0.50 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1sye h SER 59 CO 0.03 0.61 0.48 0.00 -1.14 0.00 0.00 176.83 176.81 1sye h ALA 60 N 0.73 1.10 0.93 3.77 0.00 -0.88 -0.45 119.26 124.47 1sye h ALA 60 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1sye h ALA 60 Cb 0.46 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sye h ALA 60 CO 0.02 0.60 -0.48 0.35 0.00 0.00 0.00 179.25 179.73 1sye h PHE 61 N 1.20 -1.26 -0.50 0.00 3.04 -1.11 0.17 116.94 118.47 1sye h PHE 61 Ca 0.30 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.30 1sye h PHE 61 Cb 0.01 0.43 -0.06 0.00 2.56 0.00 0.00 35.95 38.89 1sye h PHE 61 CO 0.01 -0.76 0.17 1.15 -2.02 0.00 0.00 178.31 176.86 1sye h THR 62 N -1.29 0.82 -0.29 4.41 2.02 -1.01 -2.00 112.91 115.58 1sye h THR 62 Ca -0.13 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1sye h THR 62 Cb 1.00 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1sye h THR 62 CO 0.19 0.06 0.10 0.50 0.37 0.00 0.00 175.52 176.73 1sye h LYS 63 N 0.35 0.22 -0.42 6.66 3.64 -1.01 -1.01 116.57 125.00 1sye h LYS 63 Ca 0.24 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1sye h LYS 63 Cb 0.26 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1sye h LYS 63 CO -0.25 0.14 0.23 -0.22 -2.27 0.00 0.00 179.45 177.09 1sye h LYS 64 N 0.22 0.46 -0.51 1.90 3.64 -0.22 0.13 116.57 122.19 1sye h LYS 64 Ca 0.13 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1sye h LYS 64 Cb 0.10 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1sye h LYS 64 CO -0.13 0.30 0.19 1.98 -2.27 0.00 0.00 179.45 179.52 1sye h MET 65 N 0.47 0.77 0.07 1.90 4.05 -1.03 -1.33 114.93 119.84 1sye h MET 65 Ca 0.17 -0.15 -0.26 0.00 -0.28 0.00 0.00 59.70 59.19 1sye h MET 65 Cb 0.04 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1sye h MET 65 CO -0.09 0.70 -1.22 -0.39 0.23 0.00 0.00 176.91 176.13 1sye h VAL 66 N 0.69 1.49 -0.10 -5.77 -1.51 -0.94 -3.18 116.25 106.94 1sye h VAL 66 Ca 0.17 -3.14 -0.13 0.00 -1.23 0.00 0.00 66.70 62.37 1sye h VAL 66 Cb 0.22 2.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 1sye h VAL 66 CO -0.01 0.89 -0.51 -0.33 -1.23 0.00 0.00 177.57 176.37 1sye h GLU 67 N 0.04 0.26 -0.01 5.19 5.08 -0.69 -3.02 114.58 121.43 1sye h GLU 67 Ca -0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1sye h GLU 67 Cb 1.90 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1sye h GLU 67 CO 0.16 0.72 -0.08 0.09 -1.00 0.00 0.00 179.01 178.90 1sye n ASN 68 N -3.94 1.05 -4.81 1.42 5.03 -0.51 -4.94 115.26 108.56 1sye n ASN 68 Ca -0.02 -1.14 -0.33 0.00 0.87 0.00 0.00 54.58 53.95 1sye n ASN 68 Cb 0.56 0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 39.30 1sye n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sye s ALA 69 N -2.20 2.91 -0.13 5.41 0.00 -1.14 -4.97 121.76 121.64 1sye s ALA 69 Ca 0.34 0.50 0.19 0.00 0.00 0.00 0.00 51.96 52.99 1sye s ALA 69 Cb 0.21 -3.21 -0.19 0.00 0.00 0.00 0.00 23.12 19.92 1sye s ALA 69 CO 0.41 -0.26 0.63 0.36 0.00 0.00 0.00 175.76 176.90 1sye n LYS 70 N -1.06 0.64 -3.85 0.00 2.85 -1.26 -4.89 118.16 110.59 1sye n LYS 70 Ca 0.08 0.07 -0.15 0.00 -1.05 0.00 0.00 58.31 57.25 1sye n LYS 70 Cb 0.53 -1.69 -0.16 0.00 -0.65 0.00 0.00 35.03 33.06 1sye n LYS 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1sye s LYS 71 N -3.04 0.10 -0.03 -1.58 1.02 -1.26 -5.03 119.74 109.92 1sye s LYS 71 Ca -0.05 0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.11 1sye s LYS 71 Cb 0.10 -0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.06 1sye s LYS 71 CO 0.84 -0.13 -0.18 0.42 -0.92 0.00 0.00 175.35 175.37 1sye s ILE 72 N 0.93 2.76 0.06 2.17 1.01 -1.26 -0.66 121.20 126.21 1sye s ILE 72 Ca -0.08 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1sye s ILE 72 Cb -0.12 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1sye s ILE 72 CO -0.02 0.55 -0.09 -1.61 0.00 0.00 0.00 174.94 173.77 1sye s GLU 73 N -0.81 0.62 -0.00 2.79 2.02 -0.44 -2.46 118.70 120.41 1sye s GLU 73 Ca 0.12 -0.87 0.08 0.00 0.02 0.00 0.00 54.97 54.31 1sye s GLU 73 Cb -0.10 -0.38 -0.02 0.00 0.10 0.00 0.00 34.13 33.73 1sye s GLU 73 CO 0.01 0.06 -0.25 0.14 0.02 0.00 0.00 175.26 175.24 1sye s VAL 74 N -1.67 2.02 -0.18 2.63 -7.23 0.16 -0.41 120.40 115.71 1sye s VAL 74 Ca -0.06 -1.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1sye s VAL 74 Cb -0.08 -1.69 0.05 0.00 0.56 0.00 0.00 36.38 35.23 1sye s VAL 74 CO 0.00 0.51 0.00 -0.70 -0.31 0.00 0.00 175.10 174.61 1sye s GLU 75 N -0.75 0.91 0.67 4.82 2.12 -0.49 -0.01 118.70 125.98 1sye s GLU 75 Ca 0.10 -0.44 -0.11 0.00 0.36 0.00 0.00 54.97 54.88 1sye s GLU 75 Cb -0.10 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 1sye s GLU 75 CO -0.00 -0.55 1.05 -0.06 -0.54 0.00 0.00 175.26 175.16 1sye s PHE 76 N 1.78 3.29 0.05 5.30 0.08 -1.26 -1.02 117.98 126.19 1sye s PHE 76 Ca -0.00 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.41 1sye s PHE 76 Cb -0.16 -2.83 0.01 0.00 -0.57 0.00 0.00 43.02 39.46 1sye s PHE 76 CO -0.07 -1.06 0.07 -3.47 -0.10 0.00 0.00 175.22 170.59 1sye n ASP 77 N -3.00 0.13 -0.00 1.36 -0.08 -1.26 -4.69 116.55 109.01 1sye n ASP 77 Ca 0.07 -1.10 0.12 0.00 -1.51 0.00 0.00 54.79 52.37 1sye n ASP 77 Cb 0.54 -0.04 0.31 0.00 2.34 0.00 0.00 41.12 44.26 1sye n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1sye n LYS 78 N -1.11 0.01 0.00 -0.67 2.85 -1.26 -4.91 118.16 113.07 1sye n LYS 78 Ca 0.01 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1sye n LYS 78 Cb 0.04 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 1sye n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sye n GLY 79 N 1.50 1.78 3.76 2.58 0.00 -1.26 -4.97 105.19 108.57 1sye n GLY 79 Ca 0.06 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1sye n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sye s GLN 80 N 3.60 3.53 0.01 1.61 0.00 -1.26 -4.94 119.66 122.20 1sye s GLN 80 Ca 0.00 2.29 0.22 0.00 -0.00 0.00 0.00 55.36 57.87 1sye s GLN 80 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 33.01 30.44 1sye s GLN 80 CO 0.00 -0.90 0.96 0.54 0.00 0.00 0.00 175.29 175.90 1sye n ARG 81 N -0.47 0.14 -4.12 9.60 5.12 -1.26 -4.82 116.66 120.85 1sye n ARG 81 Ca 0.07 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.81 1sye n ARG 81 Cb 0.43 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.09 1sye n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1sye s THR 82 N -3.10 0.83 0.75 0.55 -4.23 -1.26 -1.08 115.64 108.10 1sye s THR 82 Ca 0.06 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1sye s THR 82 Cb 0.16 -0.91 0.15 0.00 1.34 0.00 0.00 72.50 73.24 1sye s THR 82 CO 0.83 -0.34 1.03 -0.90 -0.54 0.00 0.00 174.62 174.70 1sye n ASP 83 N 1.26 1.24 0.11 3.99 5.68 0.08 -4.91 116.55 124.00 1sye n ASP 83 Ca -0.21 -2.08 0.10 0.00 -0.50 0.00 0.00 54.79 52.10 1sye n ASP 83 Cb 0.55 -0.68 0.46 0.00 -1.14 0.00 0.00 41.12 40.31 1sye n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1sye n LYS 84 N -2.94 0.15 -0.12 0.11 2.85 -1.26 -1.38 118.16 115.57 1sye n LYS 84 Ca 0.17 0.45 0.11 0.00 -1.05 0.00 0.00 58.31 57.98 1sye n LYS 84 Cb 0.59 -1.82 0.31 0.00 -0.65 0.00 0.00 35.03 33.46 1sye n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1sye n TYR 85 N -2.11 0.31 -0.98 5.58 4.01 -1.26 -4.93 117.16 117.78 1sye n TYR 85 Ca 0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1sye n TYR 85 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1sye n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sye n GLY 86 N 1.24 0.50 3.78 2.72 0.00 -0.48 -5.04 105.19 107.92 1sye n GLY 86 Ca 0.17 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1sye n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sye s ARG 87 N -0.10 4.59 0.34 1.61 0.52 -1.26 -4.76 118.95 119.89 1sye s ARG 87 Ca 0.00 1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 56.16 1sye s ARG 87 Cb 0.00 -3.11 -0.09 0.00 0.52 0.00 0.00 34.95 32.27 1sye s ARG 87 CO 0.00 0.47 1.13 0.20 0.02 0.00 0.00 175.30 177.12 1sye s GLY 88 N -1.33 2.94 -0.38 -3.53 0.00 0.08 -0.74 107.32 104.36 1sye s GLY 88 Ca 0.41 0.92 -0.07 0.00 0.00 0.00 0.00 44.72 45.98 1sye s GLY 88 CO 0.26 1.47 0.17 1.08 0.00 0.00 0.00 173.10 176.08 1sye s LEU 89 N -2.01 4.74 0.30 0.66 1.43 -0.24 0.49 118.68 124.05 1sye s LEU 89 Ca 0.51 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1sye s LEU 89 Cb -0.31 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1sye s LEU 89 CO 0.39 -0.43 0.54 0.00 0.23 0.00 0.00 176.35 177.08 1sye s ALA 90 N 1.37 -0.10 -0.14 4.21 0.00 -1.12 -4.37 121.76 121.61 1sye s ALA 90 Ca 0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 1sye s ALA 90 Cb -0.21 1.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 1sye s ALA 90 CO 0.01 -0.87 0.24 0.71 0.00 0.00 0.00 175.76 175.85 1sye s TYR 91 N -3.49 3.52 -0.09 0.00 2.02 -0.19 -0.86 117.35 118.25 1sye s TYR 91 Ca 0.23 0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 57.49 1sye s TYR 91 Cb -0.02 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1sye s TYR 91 CO 0.12 0.42 -0.05 0.42 -1.57 0.00 0.00 175.55 174.89 1sye s ILE 92 N -0.10 3.89 -0.01 2.71 -1.09 -1.26 -1.39 121.20 123.94 1sye s ILE 92 Ca 0.15 -0.40 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 1sye s ILE 92 Cb -0.13 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 1sye s ILE 92 CO 0.04 0.58 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.81 1sye s TYR 93 N -0.56 2.50 -0.22 3.97 1.51 0.45 -0.65 117.35 124.35 1sye s TYR 93 Ca 0.09 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1sye s TYR 93 Cb -0.12 -1.53 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 1sye s TYR 93 CO 0.02 0.12 -0.08 0.00 -1.11 0.00 0.00 175.55 174.49 1sye s ALA 94 N -0.74 2.05 -1.48 3.71 0.00 0.79 -1.33 121.76 124.76 1sye s ALA 94 Ca 0.12 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 1sye s ALA 94 Cb -0.10 -1.38 0.06 0.00 0.00 0.00 0.00 23.12 21.70 1sye s ALA 94 CO 0.01 -1.01 0.82 -0.25 0.00 0.00 0.00 175.76 175.33 1sye n ASP 95 N 4.65 -3.18 0.00 0.00 8.00 0.16 -0.71 116.55 125.48 1sye n ASP 95 Ca -0.13 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1sye n ASP 95 Cb 0.45 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1sye n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sye n GLY 96 N -1.67 0.90 3.70 0.44 0.00 -1.26 -5.02 105.19 102.29 1sye n GLY 96 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1sye n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sye s LYS 97 N -0.09 4.14 -0.09 1.61 1.02 0.12 -5.03 119.74 121.41 1sye s LYS 97 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 1sye s LYS 97 Cb 0.00 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1sye s LYS 97 CO 0.00 0.22 1.33 1.41 -0.92 0.00 0.00 175.35 177.39 1sye s MET 98 N 0.59 4.27 0.21 1.68 -2.45 -1.26 -0.15 119.30 122.18 1sye s MET 98 Ca 0.08 1.80 -0.09 0.00 -1.25 0.00 0.00 55.69 56.22 1sye s MET 98 Cb -0.12 -3.70 0.15 0.00 1.25 0.00 0.00 34.83 32.41 1sye s MET 98 CO 0.00 -0.63 1.80 0.28 1.05 0.00 0.00 175.02 177.52 1sye h VAL 99 N 5.26 1.24 -0.35 10.11 2.07 -1.25 -1.75 116.25 131.59 1sye h VAL 99 Ca -0.32 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1sye h VAL 99 Cb 1.14 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1sye h VAL 99 CO 0.93 0.29 -0.11 0.78 0.02 0.00 0.00 177.57 179.48 1sye h ASN 100 N 1.09 -0.38 -0.24 0.57 4.21 -1.91 -2.04 115.58 116.88 1sye h ASN 100 Ca 0.27 0.11 -0.10 0.00 1.21 0.00 0.00 56.30 57.79 1sye h ASN 100 Cb 0.10 0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1sye h ASN 100 CO -0.04 -0.14 -0.23 -0.08 -1.29 0.00 0.00 177.43 175.66 1sye h GLU 101 N -0.02 0.59 -0.74 0.81 4.22 -1.83 -3.16 114.58 114.43 1sye h GLU 101 Ca 0.17 -0.30 0.14 0.00 0.08 0.00 0.00 59.36 59.45 1sye h GLU 101 Cb 0.29 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 1sye h GLU 101 CO -0.38 0.90 0.27 0.00 -2.18 0.00 0.00 179.01 177.62 1sye h ALA 102 N 0.68 1.03 0.23 2.92 0.00 -1.10 0.14 119.26 123.17 1sye h ALA 102 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sye h ALA 102 Cb 0.78 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1sye h ALA 102 CO 0.06 -0.24 -0.16 -0.07 0.00 0.00 0.00 179.25 178.84 1sye h LEU 103 N 0.40 -0.39 -0.31 0.00 3.38 -1.37 -2.01 115.31 115.00 1sye h LEU 103 Ca 0.41 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1sye h LEU 103 Cb 0.64 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1sye h LEU 103 CO -0.42 -0.25 0.17 0.58 0.09 0.00 0.00 178.44 178.61 1sye h VAL 104 N -0.38 1.14 -0.67 1.22 2.07 -1.40 0.31 116.25 118.52 1sye h VAL 104 Ca -0.02 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1sye h VAL 104 Cb 0.33 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1sye h VAL 104 CO 0.01 0.14 0.44 -0.09 0.02 0.00 0.00 177.57 178.09 1sye h ARG 105 N 0.38 0.64 -0.04 1.57 9.65 -0.54 -1.29 114.38 124.75 1sye h ARG 105 Ca 0.11 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1sye h ARG 105 Cb 0.07 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1sye h ARG 105 CO -0.02 0.42 0.00 0.94 2.80 0.00 0.00 179.97 184.12 1sye n GLN 106 N -4.48 1.48 -2.47 0.20 -0.06 -0.77 -4.41 117.38 106.87 1sye n GLN 106 Ca 0.10 -0.70 -0.13 0.00 -2.00 0.00 0.00 57.00 54.27 1sye n GLN 106 Cb 0.25 -1.46 0.01 0.00 -4.06 0.00 0.00 30.24 24.98 1sye n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sye n GLY 107 N 1.10 -0.10 0.75 1.69 0.00 -0.49 -4.48 105.19 103.66 1sye n GLY 107 Ca 0.19 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1sye n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sye n LEU 108 N -2.16 2.72 -3.62 0.99 4.77 0.11 -1.55 117.00 118.25 1sye n LEU 108 Ca -0.11 -1.39 -0.12 0.00 -0.03 0.00 0.00 56.01 54.36 1sye n LEU 108 Cb 0.59 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1sye n LEU 108 CO 0.23 0.58 0.19 0.00 -1.33 0.00 0.00 177.39 177.06 1sye s ALA 109 N -1.20 -1.07 0.14 -1.18 0.00 -1.18 -4.34 121.76 112.94 1sye s ALA 109 Ca 0.24 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.50 1sye s ALA 109 Cb 0.15 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1sye s ALA 109 CO 0.21 -0.55 0.01 0.15 0.00 0.00 0.00 175.76 175.57 1sye s LYS 110 N -3.05 2.48 -0.11 0.00 1.02 -0.21 -4.46 119.74 115.41 1sye s LYS 110 Ca -0.02 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 1sye s LYS 110 Cb 0.00 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1sye s LYS 110 CO -0.07 0.49 1.01 0.08 -0.92 0.00 0.00 175.35 175.94 1sye s VAL 111 N -1.58 4.78 0.00 3.17 1.01 -1.26 -0.76 120.40 125.77 1sye s VAL 111 Ca 0.27 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.29 1sye s VAL 111 Cb -0.10 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1sye s VAL 111 CO 0.19 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1sye n ALA 112 N 5.01 0.00 -1.19 5.51 0.00 -0.56 -4.88 120.51 124.39 1sye n ALA 112 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1sye n ALA 112 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1sye n ALA 112 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1sye n TYR 113 N 0.00 0.00 -2.41 0.00 4.19 -1.26 -5.01 117.16 112.67 1sye n TYR 113 Ca 0.00 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.20 1sye n TYR 113 Cb 0.00 -1.19 0.01 0.00 0.49 0.00 0.00 39.34 38.65 1sye n TYR 113 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1sye n VAL 114 N 0.05 0.20 -2.90 2.97 0.24 -1.26 -4.93 118.33 112.70 1sye n VAL 114 Ca 0.00 -0.97 -0.02 0.00 -2.04 0.00 0.00 64.34 61.30 1sye n VAL 114 Cb 0.00 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1sye n VAL 114 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1sye s TYR 115 N -0.59 -1.64 0.49 6.34 2.02 -1.26 -5.06 117.35 117.65 1sye s TYR 115 Ca 0.18 -0.30 0.41 0.00 -0.37 0.00 0.00 57.07 56.99 1sye s TYR 115 Cb 0.26 0.32 1.61 0.00 -0.40 0.00 0.00 41.96 43.74 1sye s TYR 115 CO -0.09 -1.24 1.55 1.63 -1.57 0.00 0.00 175.55 175.84 1sye n LYS 116 N 3.42 -0.02 0.09 -0.62 4.01 -1.26 -0.32 118.16 123.45 1sye n LYS 116 Ca 0.16 1.16 -0.07 0.00 -0.51 0.00 0.00 58.31 59.05 1sye n LYS 116 Cb 0.56 -2.48 -0.01 0.00 -0.51 0.00 0.00 35.03 32.60 1sye n LYS 116 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1sye h THR 117 N 0.00 1.55 -1.87 -0.18 1.35 -1.99 -3.38 112.91 108.38 1sye h THR 117 Ca 0.91 -2.76 -0.73 0.00 -0.55 0.00 0.00 66.41 63.28 1sye h THR 117 Cb 3.29 2.53 -0.16 0.00 -1.73 0.00 0.00 68.15 72.08 1sye h THR 117 CO -0.24 0.80 1.57 0.59 -0.25 0.00 0.00 175.52 177.99 1sye n ASN 118 N -3.60 5.15 0.00 5.36 3.02 0.56 -4.07 115.26 121.68 1sye n ASN 118 Ca -0.02 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1sye n ASN 118 Cb 0.82 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 1sye n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sye n ASN 119 N 5.91 0.50 -0.30 6.41 0.23 -1.26 -4.80 115.26 121.95 1sye n ASN 119 Ca 0.39 -1.23 0.07 0.00 -0.53 0.00 0.00 54.58 53.28 1sye n ASN 119 Cb 0.43 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.30 1sye n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1sye h THR 120 N 1.98 0.17 -0.57 5.53 2.02 -1.95 -1.24 112.91 118.86 1sye h THR 120 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1sye h THR 120 Cb 0.79 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1sye h THR 120 CO 0.00 0.01 0.00 1.41 0.37 0.00 0.00 175.52 177.31 1sye n HIS 121 N -5.47 1.45 -0.21 3.16 8.25 -1.26 -4.67 115.22 116.48 1sye n HIS 121 Ca 0.16 -0.66 0.01 0.00 -0.26 0.00 0.00 57.72 56.97 1sye n HIS 121 Cb 0.54 -0.29 0.12 0.00 1.12 0.00 0.00 29.99 31.49 1sye n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1sye h GLU 122 N 3.64 0.38 -0.39 -0.41 4.81 -1.58 -1.58 114.58 119.45 1sye h GLU 122 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1sye h GLU 122 Cb 1.50 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 1sye h GLU 122 CO 0.26 0.25 0.10 1.96 -0.73 0.00 0.00 179.01 180.85 1sye h GLN 123 N 0.39 0.61 -0.54 1.92 1.08 -1.83 0.26 115.11 117.01 1sye h GLN 123 Ca 0.33 -0.14 0.07 0.00 -1.45 0.00 0.00 58.65 57.46 1sye h GLN 123 Cb 0.44 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 1sye h GLN 123 CO -0.34 0.64 0.20 1.25 -0.95 0.00 0.00 178.83 179.63 1sye h HIS 124 N 0.48 0.36 -0.51 2.96 2.76 -1.83 -0.62 115.15 118.75 1sye h HIS 124 Ca 0.12 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1sye h HIS 124 Cb 0.30 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1sye h HIS 124 CO 0.02 0.12 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.57 1sye h LEU 125 N 0.39 0.96 -0.62 0.26 3.38 -1.04 -2.73 115.31 115.91 1sye h LEU 125 Ca 0.26 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sye h LEU 125 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1sye h LEU 125 CO -0.25 1.08 0.40 0.03 0.09 0.00 0.00 178.44 179.79 1sye h ARG 126 N 0.85 0.79 -0.91 1.13 2.47 -0.29 -0.30 114.38 118.12 1sye h ARG 126 Ca 0.13 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1sye h ARG 126 Cb 0.67 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 1sye h ARG 126 CO 0.05 0.52 0.55 0.87 0.56 0.00 0.00 179.97 182.52 1sye h LYS 127 N 0.81 1.23 -0.39 0.04 1.57 -0.88 -2.10 116.57 116.85 1sye h LYS 127 Ca 0.24 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1sye h LYS 127 Cb -0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 1sye h LYS 127 CO -0.07 0.85 -0.27 0.77 -0.57 0.00 0.00 179.45 180.16 1sye h SER 128 N 1.25 0.85 -0.51 0.86 0.02 -1.18 -2.17 113.55 112.67 1sye h SER 128 Ca 0.33 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1sye h SER 128 Cb -0.06 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1sye h SER 128 CO -0.06 1.07 0.14 -0.08 -1.14 0.00 0.00 176.83 176.76 1sye h GLU 129 N 0.70 0.87 -0.40 3.45 4.81 -0.63 -1.40 114.58 121.97 1sye h GLU 129 Ca 0.08 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1sye h GLU 129 Cb 0.81 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1sye h GLU 129 CO 0.07 0.78 0.21 0.00 -0.73 0.00 0.00 179.01 179.33 1sye h ALA 130 N 1.32 0.51 -0.74 2.92 0.00 -1.19 0.66 119.26 122.74 1sye h ALA 130 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sye h ALA 130 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sye h ALA 130 CO -0.00 0.05 0.40 0.37 0.00 0.00 0.00 179.25 180.07 1sye h GLN 131 N 0.51 1.04 -0.13 0.00 5.75 -1.07 0.46 115.11 121.67 1sye h GLN 131 Ca 0.14 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1sye h GLN 131 Cb 0.08 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1sye h GLN 131 CO -0.02 0.78 -0.25 0.00 -2.65 0.00 0.00 178.83 176.69 1sye h ALA 132 N 1.20 1.35 0.12 3.38 0.00 -0.79 -0.61 119.26 123.91 1sye h ALA 132 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sye h ALA 132 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sye h ALA 132 CO -0.04 0.45 -0.06 0.87 0.00 0.00 0.00 179.25 180.47 1sye h LYS 133 N 0.21 -0.16 -0.95 0.00 1.57 0.12 -1.68 116.57 115.67 1sye h LYS 133 Ca 0.03 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.01 1sye h LYS 133 Cb 0.55 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1sye h LYS 133 CO 0.04 0.23 0.61 -0.22 -0.57 0.00 0.00 179.45 179.54 1sye h LYS 134 N -0.60 0.61 -0.12 3.15 3.64 0.31 0.16 116.57 123.72 1sye h LYS 134 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1sye h LYS 134 Cb 0.47 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1sye h LYS 134 CO 0.03 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 178.00 1sye n GLU 135 N -4.62 1.83 -3.87 1.90 1.02 -0.27 -4.96 120.64 111.66 1sye n GLU 135 Ca 0.21 -1.23 -0.25 0.00 -0.02 0.00 0.00 57.16 55.86 1sye n GLU 135 Cb 0.60 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1sye n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sye n LYS 136 N 0.46 -3.31 -3.40 3.49 5.02 0.56 -4.95 118.16 116.02 1sye n LYS 136 Ca 0.17 0.45 -0.37 0.00 -2.02 0.00 0.00 58.31 56.54 1sye n LYS 136 Cb 0.39 -4.58 -0.06 0.00 -0.02 0.00 0.00 35.03 30.76 1sye n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sye s LEU 137 N -6.86 4.42 0.00 -0.35 1.43 -0.92 -3.69 118.68 112.71 1sye s LEU 137 Ca 0.06 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1sye s LEU 137 Cb -0.02 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1sye s LEU 137 CO 0.87 0.21 0.00 0.59 0.23 0.00 0.00 176.35 178.25 1sye n ASN 138 N 1.28 0.00 -0.35 2.29 3.02 -1.26 0.13 115.26 120.36 1sye n ASN 138 Ca -0.09 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.54 1sye n ASN 138 Cb 0.52 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.86 1sye n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sye h ILE 139 N 0.00 0.02 0.00 2.41 2.04 -1.60 0.53 117.51 120.91 1sye h ILE 139 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sye h ILE 139 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1sye h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1sye n TRP 140 N -5.59 0.00 1.27 1.37 7.02 0.12 -5.14 117.44 116.49 1sye n TRP 140 Ca 0.17 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.78 1sye n TRP 140 Cb 0.55 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.77 1sye n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54