#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stb s LEU 7 N 0.00 2.93 0.04 -0.35 1.43 -1.26 -5.07 118.68 116.40 1stb s LEU 7 Ca 0.00 0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 1stb s LEU 7 Cb 0.00 -3.22 0.08 0.00 0.03 0.00 0.00 46.19 43.08 1stb s LEU 7 CO 0.00 -1.45 0.70 -1.38 0.23 0.00 0.00 176.35 174.45 1stb s HIS 8 N -3.17 -0.54 0.22 0.29 -3.43 -1.26 -5.10 115.29 102.30 1stb s HIS 8 Ca 0.58 0.62 -0.20 0.00 -0.80 0.00 0.00 55.06 55.26 1stb s HIS 8 Cb -0.11 0.49 -0.08 0.00 -1.43 0.00 0.00 32.58 31.46 1stb s HIS 8 CO 0.45 -0.68 0.73 0.15 -2.00 0.00 0.00 174.74 173.39 1stb s LYS 9 N -2.54 4.27 0.08 -0.38 -0.14 -1.26 -4.40 119.74 115.37 1stb s LYS 9 Ca -0.03 0.89 0.06 0.00 -1.36 0.00 0.00 55.97 55.53 1stb s LYS 9 Cb -0.01 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.21 1stb s LYS 9 CO -0.03 0.40 -0.15 -1.21 -0.76 0.00 0.00 175.35 173.60 1stb s GLU 10 N -1.93 0.88 0.44 1.68 2.02 0.49 -4.91 118.70 117.37 1stb s GLU 10 Ca 0.43 -1.00 -0.24 0.00 0.02 0.00 0.00 54.97 54.17 1stb s GLU 10 Cb -0.17 -0.93 -0.08 0.00 0.10 0.00 0.00 34.13 33.05 1stb s GLU 10 CO 0.21 0.21 1.20 -2.14 0.02 0.00 0.00 175.26 174.76 1stb s PRO 11 N -1.81 3.85 -0.02 0.39 0.02 -1.26 -0.11 135.00 136.06 1stb s PRO 11 Ca -0.00 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.77 1stb s PRO 11 Cb -0.10 -2.54 0.02 0.00 0.02 0.00 0.00 34.50 31.90 1stb s PRO 11 CO 0.03 -0.50 0.27 0.00 -0.33 0.00 0.00 177.00 176.46 1stb s ALA 12 N -1.44 -0.68 -0.20 -1.55 0.00 -0.93 -4.59 121.76 112.37 1stb s ALA 12 Ca 0.61 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 1stb s ALA 12 Cb -0.31 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1stb s ALA 12 CO 0.39 -0.24 0.03 0.99 0.00 0.00 0.00 175.76 176.93 1stb s THR 13 N -1.19 4.25 0.35 0.00 2.01 -0.93 -4.14 115.64 115.98 1stb s THR 13 Ca -0.12 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1stb s THR 13 Cb -0.05 -2.93 -0.11 0.00 0.01 0.00 0.00 72.50 69.42 1stb s THR 13 CO 0.03 0.43 1.52 -0.22 -0.69 0.00 0.00 174.62 175.69 1stb s LEU 14 N 0.87 4.33 -0.09 4.42 0.20 -1.26 -0.77 118.68 126.37 1stb s LEU 14 Ca 0.02 3.01 -0.05 0.00 0.69 0.00 0.00 54.13 57.80 1stb s LEU 14 Cb -0.14 -3.66 -0.04 0.00 -0.43 0.00 0.00 46.19 41.92 1stb s LEU 14 CO 0.02 -0.88 -0.13 -0.38 -0.29 0.00 0.00 176.35 174.69 1stb n ILE 15 N 1.03 0.68 -3.59 6.68 5.41 -0.33 -4.72 119.36 124.51 1stb n ILE 15 Ca 0.03 -0.07 -0.13 0.00 1.00 0.00 0.00 62.75 63.58 1stb n ILE 15 Cb 0.39 -1.67 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 1stb n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1stb s LYS 16 N -2.21 0.72 0.16 0.38 -2.85 -0.65 -5.01 119.74 110.29 1stb s LYS 16 Ca -0.14 0.50 -0.26 0.00 -1.00 0.00 0.00 55.97 55.07 1stb s LYS 16 Cb 0.05 0.35 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 1stb s LYS 16 CO 0.18 -0.16 0.80 0.00 0.10 0.00 0.00 175.35 176.27 1stb s ALA 17 N -0.39 3.42 -0.14 0.59 0.00 -1.26 -0.32 121.76 123.66 1stb s ALA 17 Ca -0.02 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1stb s ALA 17 Cb -0.03 -3.01 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1stb s ALA 17 CO 0.01 0.24 -0.17 -0.89 0.00 0.00 0.00 175.76 174.94 1stb n ILE 18 N 1.80 0.77 -2.48 0.00 5.41 -0.57 -4.91 119.36 119.39 1stb n ILE 18 Ca -0.04 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1stb n ILE 18 Cb 0.49 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1stb n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1stb n ASP 19 N -3.55 0.00 -0.15 4.38 5.75 -0.49 -4.91 116.55 117.58 1stb n ASP 19 Ca -0.27 -0.03 0.01 0.00 -0.01 0.00 0.00 54.79 54.49 1stb n ASP 19 Cb 0.70 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 41.07 1stb n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1stb h GLY 20 N 0.00 0.91 -0.05 6.12 0.00 -1.82 -3.21 103.07 105.02 1stb h GLY 20 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1stb h GLY 20 CO 0.00 0.36 -0.02 2.09 0.00 0.00 0.00 176.54 178.96 1stb n ASP 21 N -4.41 1.93 -3.83 0.19 5.68 -1.26 -4.77 116.55 110.08 1stb n ASP 21 Ca 0.06 -2.38 -0.21 0.00 -0.50 0.00 0.00 54.79 51.76 1stb n ASP 21 Cb 0.07 -0.18 -0.17 0.00 -1.14 0.00 0.00 41.12 39.70 1stb n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1stb s THR 22 N -1.64 0.45 0.01 2.12 2.01 -1.21 -4.40 115.64 112.97 1stb s THR 22 Ca 0.13 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1stb s THR 22 Cb 0.11 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1stb s THR 22 CO 0.01 0.24 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.44 1stb s VAL 23 N 1.44 0.37 -0.23 3.82 1.01 -0.47 -1.39 120.40 124.94 1stb s VAL 23 Ca -0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1stb s VAL 23 Cb -0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1stb s VAL 23 CO -0.03 -0.04 0.17 -0.75 0.00 0.00 0.00 175.10 174.44 1stb s LYS 24 N -0.50 4.10 0.05 2.72 2.20 0.57 -0.24 119.74 128.62 1stb s LYS 24 Ca -0.02 -0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1stb s LYS 24 Cb -0.04 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1stb s LYS 24 CO -0.00 0.10 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.37 1stb s LEU 25 N 0.95 2.18 -0.57 5.43 1.43 0.29 -1.19 118.68 127.20 1stb s LEU 25 Ca 0.08 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 1stb s LEU 25 Cb -0.13 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1stb s LEU 25 CO 0.04 0.15 1.38 -0.04 0.23 0.00 0.00 176.35 178.11 1stb s MET 26 N -1.23 3.33 -0.07 1.70 -1.94 0.05 -0.56 119.30 120.57 1stb s MET 26 Ca 0.07 0.41 0.03 0.00 -1.71 0.00 0.00 55.69 54.49 1stb s MET 26 Cb -0.09 -4.11 -0.02 0.00 2.01 0.00 0.00 34.83 32.62 1stb s MET 26 CO 0.02 -1.91 -0.16 -0.47 -0.01 0.00 0.00 175.02 172.49 1stb s TYR 27 N 5.90 2.68 -0.95 -0.03 5.04 0.57 -2.20 117.35 128.36 1stb s TYR 27 Ca 0.51 -0.38 -0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1stb s TYR 27 Cb -0.10 -1.68 0.04 0.00 0.35 0.00 0.00 41.96 40.57 1stb s TYR 27 CO 0.25 0.01 0.11 1.63 -1.34 0.00 0.00 175.55 176.21 1stb n LYS 28 N 2.73 -0.93 -0.75 4.97 4.76 -1.26 -0.83 118.16 126.85 1stb n LYS 28 Ca -0.17 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1stb n LYS 28 Cb 0.52 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 1stb n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1stb n GLY 29 N -1.58 0.73 3.10 0.72 0.00 -1.26 -5.03 105.19 101.87 1stb n GLY 29 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1stb n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1stb s GLN 30 N -0.25 1.25 -0.12 1.61 -2.07 -0.01 -5.10 119.66 114.97 1stb s GLN 30 Ca 0.00 -0.50 -0.29 0.00 -1.82 0.00 0.00 55.36 52.75 1stb s GLN 30 Cb 0.00 -1.17 -0.04 0.00 -1.09 0.00 0.00 33.01 30.71 1stb s GLN 30 CO 0.00 0.27 1.54 -1.25 -1.32 0.00 0.00 175.29 174.52 1stb s PRO 31 N -0.18 4.13 0.09 9.60 0.04 -1.26 -0.32 135.00 147.09 1stb s PRO 31 Ca 0.02 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1stb s PRO 31 Cb -0.07 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.55 1stb s PRO 31 CO 0.00 -0.89 0.30 0.00 0.04 0.00 0.00 177.00 176.46 1stb s MET 32 N 4.00 0.92 -0.05 4.56 0.23 0.27 -4.96 119.30 124.28 1stb s MET 32 Ca 0.68 -0.73 -0.24 0.00 -1.03 0.00 0.00 55.69 54.37 1stb s MET 32 Cb -0.28 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1stb s MET 32 CO 0.25 -0.32 0.71 0.99 -2.03 0.00 0.00 175.02 174.62 1stb s THR 33 N -3.47 4.99 -0.01 3.16 2.01 -1.26 -0.54 115.64 120.52 1stb s THR 33 Ca 0.01 1.46 0.03 0.00 0.31 0.00 0.00 61.69 63.51 1stb s THR 33 Cb 0.02 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1stb s THR 33 CO -0.09 0.28 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.66 1stb s PHE 34 N 0.62 2.83 0.00 4.92 0.40 0.66 -0.95 117.98 126.46 1stb s PHE 34 Ca 0.37 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1stb s PHE 34 Cb -0.18 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.73 1stb s PHE 34 CO 0.19 0.32 0.00 -2.13 0.70 0.00 0.00 175.22 174.30 1stb n ARG 35 N 1.79 2.93 -4.73 0.44 3.00 0.02 -1.37 116.66 118.75 1stb n ARG 35 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.45 1stb n ARG 35 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.83 1stb n ARG 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1stb s LEU 36 N 0.00 1.96 -0.48 6.15 2.96 -0.57 -2.86 118.68 125.84 1stb s LEU 36 Ca 0.00 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1stb s LEU 36 Cb 0.00 -0.84 0.00 0.00 0.50 0.00 0.00 46.19 45.85 1stb s LEU 36 CO 0.00 0.16 0.00 0.18 -1.32 0.00 0.00 176.35 175.37 1stb n LEU 37 N 2.93 -0.21 -4.24 -0.68 4.32 -1.26 -4.94 117.00 112.92 1stb n LEU 37 Ca -0.16 0.11 -0.19 0.00 -0.02 0.00 0.00 56.01 55.74 1stb n LEU 37 Cb 0.54 -1.23 -0.12 0.00 -1.62 0.00 0.00 43.42 40.99 1stb n LEU 37 CO 0.24 -0.35 -0.47 -0.76 -1.22 0.00 0.00 177.39 174.84 1stb s LEU 38 N -1.02 2.35 -0.32 2.23 1.43 -1.24 -0.94 118.68 121.18 1stb s LEU 38 Ca 0.00 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1stb s LEU 38 Cb 0.00 -0.62 0.10 0.00 0.03 0.00 0.00 46.19 45.70 1stb s LEU 38 CO 0.00 -0.08 0.12 0.54 0.23 0.00 0.00 176.35 177.16 1stb s VAL 39 N -1.72 0.78 0.69 -1.59 0.11 0.04 -4.69 120.40 114.02 1stb s VAL 39 Ca 0.06 -1.44 -0.14 0.00 -2.93 0.00 0.00 61.98 57.53 1stb s VAL 39 Cb -0.07 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1stb s VAL 39 CO 0.03 -0.72 1.11 1.51 -3.33 0.00 0.00 175.10 173.71 1stb s ASP 40 N 1.54 4.88 0.15 3.54 -4.77 -1.26 -1.44 116.67 119.30 1stb s ASP 40 Ca 0.11 1.98 -0.30 0.00 -3.30 0.00 0.00 52.55 51.03 1stb s ASP 40 Cb -0.18 -2.55 -0.07 0.00 -1.09 0.00 0.00 42.92 39.04 1stb s ASP 40 CO -0.23 -1.78 1.09 0.28 0.70 0.00 0.00 175.17 175.22 1stb s THR 41 N -2.47 4.02 0.78 2.11 -1.32 -1.26 -4.93 115.64 112.57 1stb s THR 41 Ca 0.66 1.68 -0.13 0.00 -1.21 0.00 0.00 61.69 62.69 1stb s THR 41 Cb -0.20 -4.07 0.07 0.00 -1.51 0.00 0.00 72.50 66.79 1stb s THR 41 CO 0.45 0.26 1.17 -2.84 -2.21 0.00 0.00 174.62 171.45 1stb s PRO 42 N -0.09 1.89 0.20 7.08 0.02 -1.26 -4.06 135.00 138.78 1stb s PRO 42 Ca 0.50 1.59 0.18 0.00 0.02 0.00 0.00 61.00 63.29 1stb s PRO 42 Cb -0.28 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.43 1stb s PRO 42 CO 0.33 -1.99 1.16 1.49 -0.33 0.00 0.00 177.00 177.66 1stb h GLU 43 N -0.83 0.00 -1.18 5.54 4.81 -1.77 0.26 114.58 121.41 1stb h GLU 43 Ca -0.46 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.38 1stb h GLU 43 Cb 1.28 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.38 1stb h GLU 43 CO 0.48 0.27 -0.81 -2.37 -0.73 0.00 0.00 179.01 175.85 1stb n THR 44 N -2.98 -0.42 -0.89 0.32 5.66 -1.23 -1.08 114.28 113.66 1stb n THR 44 Ca -0.02 -2.73 -0.25 0.00 -3.05 0.00 0.00 64.05 57.99 1stb n THR 44 Cb 0.71 -0.35 0.21 0.00 -1.55 0.00 0.00 70.33 69.36 1stb n THR 44 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1stb n LYS 45 N 1.77 -2.94 -0.01 1.09 4.81 0.66 -4.64 118.16 118.90 1stb n LYS 45 Ca 0.17 -1.44 -0.04 0.00 -0.87 0.00 0.00 58.31 56.13 1stb n LYS 45 Cb 0.57 -1.39 -0.01 0.00 0.02 0.00 0.00 35.03 34.22 1stb n LYS 45 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1stb n HIS 46 N -4.55 0.00 -0.03 5.64 8.25 -1.26 -0.77 115.22 122.50 1stb n HIS 46 Ca 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.50 1stb n HIS 46 Cb 0.49 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 1stb n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1stb h PRO 47 N -0.17 0.04 0.00 -0.41 0.11 -1.96 -1.45 132.00 128.16 1stb h PRO 47 Ca -0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1stb h PRO 47 Cb 0.85 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1stb h PRO 47 CO -0.05 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 179.39 1stb n LYS 48 N -5.14 0.78 0.00 1.05 5.02 -1.26 -4.85 118.16 113.75 1stb n LYS 48 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1stb n LYS 48 Cb 0.10 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1stb n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1stb n LYS 49 N -0.79 0.00 0.00 1.97 5.02 -0.55 -4.14 118.16 119.68 1stb n LYS 49 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1stb n LYS 49 Cb 0.05 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 1stb n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1stb n GLY 50 N -1.48 -0.58 3.61 0.72 0.00 0.05 -4.46 105.19 103.05 1stb n GLY 50 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1stb n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1stb s VAL 51 N -0.74 3.63 0.54 1.61 1.01 -0.24 -0.25 120.40 125.97 1stb s VAL 51 Ca 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 1stb s VAL 51 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1stb s VAL 51 CO 0.00 -0.41 0.93 -1.61 0.00 0.00 0.00 175.10 174.01 1stb s GLU 52 N 5.14 3.65 0.16 2.72 2.02 0.92 -4.97 118.70 128.34 1stb s GLU 52 Ca 0.74 0.60 -0.32 0.00 0.02 0.00 0.00 54.97 56.01 1stb s GLU 52 Cb -0.22 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.70 1stb s GLU 52 CO 0.32 -0.37 1.63 0.21 0.02 0.00 0.00 175.26 177.06 1stb s LYS 53 N -4.76 4.19 0.00 1.61 2.20 -1.26 -2.43 119.74 119.29 1stb s LYS 53 Ca 0.53 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 1stb s LYS 53 Cb -0.11 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1stb s LYS 53 CO 0.46 -0.67 0.00 0.66 -0.36 0.00 0.00 175.35 175.44 1stb n TYR 54 N 4.28 0.00 -0.06 4.03 4.01 -1.26 -4.84 117.16 123.31 1stb n TYR 54 Ca 0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 1stb n TYR 54 Cb 0.38 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 1stb n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1stb h GLY 55 N 0.00 0.25 2.00 2.72 0.00 -1.62 -0.91 103.07 105.51 1stb h GLY 55 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1stb h GLY 55 CO 0.00 -0.03 -0.20 -0.56 0.00 0.00 0.00 176.54 175.75 1stb h PRO 56 N 0.10 0.00 0.09 4.80 0.13 -1.76 0.25 132.00 135.61 1stb h PRO 56 Ca 0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.99 1stb h PRO 56 Cb 0.13 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.28 1stb h PRO 56 CO -0.17 0.20 -1.04 0.93 -0.23 0.00 0.00 178.00 177.69 1stb h GLU 57 N 0.00 0.55 -0.83 0.86 3.07 -1.87 -1.33 114.58 115.04 1stb h GLU 57 Ca -0.00 -0.71 0.01 0.00 -0.50 0.00 0.00 59.36 58.16 1stb h GLU 57 Cb 0.56 0.23 -0.04 0.00 -0.84 0.00 0.00 28.75 28.66 1stb h GLU 57 CO 0.03 1.30 0.55 0.00 -1.40 0.00 0.00 179.01 179.49 1stb h ALA 58 N 0.28 1.05 -0.30 3.43 0.00 -0.97 -0.05 119.26 122.70 1stb h ALA 58 Ca -0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1stb h ALA 58 Cb 1.74 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1stb h ALA 58 CO 0.20 0.45 0.15 0.77 0.00 0.00 0.00 179.25 180.82 1stb h SER 59 N 1.12 0.39 -0.63 0.00 0.02 -0.87 -2.25 113.55 111.33 1stb h SER 59 Ca 0.30 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1stb h SER 59 Cb -0.13 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1stb h SER 59 CO -0.07 0.40 0.33 0.00 -1.14 0.00 0.00 176.83 176.36 1stb h ALA 60 N 1.00 0.80 -0.12 3.77 0.00 -0.73 0.31 119.26 124.30 1stb h ALA 60 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1stb h ALA 60 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1stb h ALA 60 CO -0.01 0.34 0.08 0.35 0.00 0.00 0.00 179.25 180.00 1stb h PHE 61 N 0.86 0.15 -0.56 0.00 3.04 -0.95 -0.69 116.94 118.79 1stb h PHE 61 Ca 0.22 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 1stb h PHE 61 Cb 0.07 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1stb h PHE 61 CO -0.00 0.11 0.00 1.15 -2.02 0.00 0.00 178.31 177.55 1stb h THR 62 N 0.15 1.26 -0.12 4.41 2.02 -1.22 -0.62 112.91 118.80 1stb h THR 62 Ca 0.04 -1.12 0.04 0.00 0.77 0.00 0.00 66.41 66.14 1stb h THR 62 Cb -0.00 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1stb h THR 62 CO -0.01 0.40 -0.14 0.50 0.37 0.00 0.00 175.52 176.64 1stb h LYS 63 N 0.88 -0.17 -0.38 6.66 3.64 -0.47 -1.11 116.57 125.63 1stb h LYS 63 Ca 0.16 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1stb h LYS 63 Cb 0.54 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1stb h LYS 63 CO 0.03 -0.11 0.11 0.87 -2.27 0.00 0.00 179.45 178.08 1stb h LYS 64 N -0.17 0.59 -0.56 1.90 1.57 -1.13 0.18 116.57 118.94 1stb h LYS 64 Ca 0.09 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1stb h LYS 64 Cb 0.30 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1stb h LYS 64 CO -0.23 0.61 0.37 1.98 -0.57 0.00 0.00 179.45 181.61 1stb h MET 65 N 0.46 0.60 0.05 3.15 4.05 -0.49 -1.89 114.93 120.86 1stb h MET 65 Ca 0.12 -0.04 -0.33 0.00 -0.28 0.00 0.00 59.70 59.18 1stb h MET 65 Cb 0.26 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1stb h MET 65 CO -0.00 0.39 -1.88 1.33 0.23 0.00 0.00 176.91 176.98 1stb n VAL 66 N -4.47 1.67 -0.34 -5.77 0.24 -0.48 -3.23 118.33 105.95 1stb n VAL 66 Ca 0.07 -0.73 -0.02 0.00 -2.04 0.00 0.00 64.34 61.62 1stb n VAL 66 Cb 0.17 -1.31 0.11 0.00 -1.47 0.00 0.00 33.84 31.34 1stb n VAL 66 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1stb h GLU 67 N 0.03 1.15 -0.36 7.34 4.57 -0.80 -2.86 114.58 123.65 1stb h GLU 67 Ca -0.36 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1stb h GLU 67 Cb 2.03 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 1stb h GLU 67 CO 0.08 0.76 0.00 0.09 -1.18 0.00 0.00 179.01 178.76 1stb n ASN 68 N -4.48 2.70 -4.79 1.04 3.02 -0.72 -4.97 115.26 107.06 1stb n ASN 68 Ca 0.11 -1.91 -0.36 0.00 -0.03 0.00 0.00 54.58 52.40 1stb n ASN 68 Cb 0.06 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 1stb n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1stb s ALA 69 N -1.53 2.99 0.25 5.41 0.00 -1.08 -4.93 121.76 122.87 1stb s ALA 69 Ca 0.36 0.69 0.06 0.00 0.00 0.00 0.00 51.96 53.07 1stb s ALA 69 Cb 0.20 -3.28 0.28 0.00 0.00 0.00 0.00 23.12 20.32 1stb s ALA 69 CO 0.28 -0.30 1.57 0.87 0.00 0.00 0.00 175.76 178.18 1stb h LYS 70 N 2.09 0.18 -1.91 0.00 1.57 -1.92 -3.47 116.57 113.13 1stb h LYS 70 Ca -0.49 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 1stb h LYS 70 Cb 1.22 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.34 1stb h LYS 70 CO 0.61 0.73 0.24 -1.59 -0.57 0.00 0.00 179.45 178.87 1stb s LYS 71 N -3.73 0.88 -0.08 3.15 -2.85 -1.26 -5.03 119.74 110.82 1stb s LYS 71 Ca -0.03 0.50 0.01 0.00 -1.00 0.00 0.00 55.97 55.44 1stb s LYS 71 Cb 0.12 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.29 1stb s LYS 71 CO 0.79 -0.22 -0.09 0.42 0.10 0.00 0.00 175.35 176.35 1stb s ILE 72 N -0.58 3.51 0.04 3.79 1.01 -1.26 -1.45 121.20 126.25 1stb s ILE 72 Ca -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1stb s ILE 72 Cb -0.02 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1stb s ILE 72 CO 0.05 0.58 -0.13 -1.61 0.00 0.00 0.00 174.94 173.82 1stb s GLU 73 N -0.53 0.90 0.06 2.79 2.02 -0.50 -2.19 118.70 121.25 1stb s GLU 73 Ca 0.08 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1stb s GLU 73 Cb -0.12 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.18 1stb s GLU 73 CO 0.02 0.22 -0.11 0.14 0.02 0.00 0.00 175.26 175.55 1stb s VAL 74 N -0.85 3.34 -0.24 2.63 -7.23 0.84 -0.63 120.40 118.26 1stb s VAL 74 Ca 0.01 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1stb s VAL 74 Cb -0.08 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.44 1stb s VAL 74 CO 0.01 0.26 0.02 -0.70 -0.31 0.00 0.00 175.10 174.38 1stb s GLU 75 N -1.77 1.00 0.40 4.82 2.12 0.12 -0.38 118.70 125.01 1stb s GLU 75 Ca 0.18 -0.81 -0.20 0.00 0.36 0.00 0.00 54.97 54.51 1stb s GLU 75 Cb -0.11 -2.27 -0.10 0.00 0.26 0.00 0.00 34.13 31.91 1stb s GLU 75 CO 0.10 -0.72 0.90 -0.06 -0.54 0.00 0.00 175.26 174.94 1stb s PHE 76 N 1.62 3.34 0.00 5.30 0.08 -1.26 -0.79 117.98 126.27 1stb s PHE 76 Ca 0.00 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1stb s PHE 76 Cb -0.18 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1stb s PHE 76 CO -0.12 -0.05 0.00 -3.47 -0.10 0.00 0.00 175.22 171.48 1stb n ASP 77 N -0.54 0.00 -0.73 1.36 -0.08 -1.26 -4.62 116.55 110.68 1stb n ASP 77 Ca 0.06 -0.18 0.11 0.00 -1.51 0.00 0.00 54.79 53.27 1stb n ASP 77 Cb 0.54 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.05 1stb n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1stb n LYS 78 N -0.18 1.80 0.00 -0.67 5.02 -1.26 -4.89 118.16 117.99 1stb n LYS 78 Ca 0.00 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 1stb n LYS 78 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1stb n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1stb n GLY 79 N 1.35 1.87 3.76 0.72 0.00 -1.26 -4.98 105.19 106.65 1stb n GLY 79 Ca 0.12 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1stb n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1stb s GLN 80 N 4.51 4.46 0.00 1.61 -2.07 -1.26 -4.93 119.66 121.98 1stb s GLN 80 Ca 0.00 2.07 0.29 0.00 -1.82 0.00 0.00 55.36 55.89 1stb s GLN 80 Cb 0.00 -3.12 1.19 0.00 -1.09 0.00 0.00 33.01 29.99 1stb s GLN 80 CO 0.00 -0.05 1.83 0.54 -1.32 0.00 0.00 175.29 176.29 1stb n ARG 81 N 0.98 0.90 -3.85 9.60 3.00 -1.26 -4.77 116.66 121.25 1stb n ARG 81 Ca -0.00 -0.37 -0.12 0.00 -0.01 0.00 0.00 57.85 57.35 1stb n ARG 81 Cb 0.43 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.28 1stb n ARG 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1stb s THR 82 N -2.36 0.04 0.42 0.55 2.01 -1.26 -1.11 115.64 113.93 1stb s THR 82 Ca 0.31 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1stb s THR 82 Cb 0.20 -0.29 0.08 0.00 0.01 0.00 0.00 72.50 72.50 1stb s THR 82 CO 0.45 -0.17 0.58 -0.90 -0.69 0.00 0.00 174.62 173.89 1stb n ASP 83 N 2.37 1.06 0.33 3.53 5.75 -0.77 -4.91 116.55 123.92 1stb n ASP 83 Ca -0.17 -1.83 0.22 0.00 -0.01 0.00 0.00 54.79 53.00 1stb n ASP 83 Cb 0.58 -0.35 1.16 0.00 -1.03 0.00 0.00 41.12 41.48 1stb n ASP 83 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1stb h LYS 84 N 0.00 0.00 -0.38 0.11 2.10 -2.02 0.23 116.57 116.61 1stb h LYS 84 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1stb h LYS 84 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1stb h LYS 84 CO 0.23 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.34 1stb n TYR 85 N -3.13 0.49 -1.10 0.07 4.01 -1.26 -4.93 117.16 111.31 1stb n TYR 85 Ca -0.03 -0.25 -0.03 0.00 -0.16 0.00 0.00 57.90 57.43 1stb n TYR 85 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1stb n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1stb n GLY 86 N 1.40 0.65 3.79 2.72 0.00 0.80 -5.03 105.19 109.52 1stb n GLY 86 Ca 0.19 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1stb n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1stb s ARG 87 N -1.89 4.37 0.53 1.61 0.52 -1.26 -4.75 118.95 118.09 1stb s ARG 87 Ca 0.00 0.93 -0.22 0.00 -0.52 0.00 0.00 55.73 55.93 1stb s ARG 87 Cb 0.00 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 1stb s ARG 87 CO 0.00 0.60 1.29 0.20 0.02 0.00 0.00 175.30 177.41 1stb s GLY 88 N -1.10 2.84 -0.27 -3.53 0.00 -0.13 -1.84 107.32 103.30 1stb s GLY 88 Ca 0.32 1.19 0.02 0.00 0.00 0.00 0.00 44.72 46.25 1stb s GLY 88 CO 0.22 1.68 -0.08 1.08 0.00 0.00 0.00 173.10 176.00 1stb s LEU 89 N -3.47 3.55 0.18 0.66 1.43 -0.26 -0.80 118.68 119.96 1stb s LEU 89 Ca 0.70 -1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 1stb s LEU 89 Cb -0.36 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1stb s LEU 89 CO 0.43 -0.20 0.27 0.00 0.23 0.00 0.00 176.35 177.07 1stb s ALA 90 N 1.14 0.20 -0.19 4.21 0.00 -1.14 -4.37 121.76 121.62 1stb s ALA 90 Ca -0.08 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 1stb s ALA 90 Cb -0.20 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1stb s ALA 90 CO -0.04 -0.66 0.58 0.71 0.00 0.00 0.00 175.76 176.35 1stb s TYR 91 N -4.01 3.38 -0.12 0.00 2.02 0.03 -1.51 117.35 117.14 1stb s TYR 91 Ca 0.22 0.87 -0.04 0.00 -0.37 0.00 0.00 57.07 57.74 1stb s TYR 91 Cb 0.04 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.82 1stb s TYR 91 CO 0.03 -0.13 0.04 0.42 -1.57 0.00 0.00 175.55 174.35 1stb s ILE 92 N 1.72 4.63 -0.05 2.71 -1.09 -1.26 -0.70 121.20 127.15 1stb s ILE 92 Ca 0.27 -0.12 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 1stb s ILE 92 Cb -0.16 -3.00 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1stb s ILE 92 CO 0.10 0.57 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.85 1stb s TYR 93 N -0.52 2.50 -0.23 3.97 1.51 0.19 -0.83 117.35 123.93 1stb s TYR 93 Ca 0.10 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1stb s TYR 93 Cb -0.12 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1stb s TYR 93 CO 0.02 -0.09 -0.08 0.00 -1.11 0.00 0.00 175.55 174.28 1stb s ALA 94 N -0.34 2.65 -1.53 3.71 0.00 0.55 -1.41 121.76 125.39 1stb s ALA 94 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1stb s ALA 94 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1stb s ALA 94 CO 0.02 -0.70 0.00 -0.25 0.00 0.00 0.00 175.76 174.83 1stb n ASP 95 N 4.67 -5.12 0.00 0.00 8.00 -0.53 -0.25 116.55 123.32 1stb n ASP 95 Ca -0.17 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1stb n ASP 95 Cb 0.48 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 1stb n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1stb n GLY 96 N -0.89 0.74 3.76 0.44 0.00 -1.26 -5.05 105.19 102.93 1stb n GLY 96 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1stb n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stb s LYS 97 N -0.23 3.45 -0.35 1.61 -0.14 0.65 -5.04 119.74 119.69 1stb s LYS 97 Ca 0.00 -0.26 -0.29 0.00 -1.36 0.00 0.00 55.97 54.06 1stb s LYS 97 Cb 0.00 -3.09 0.01 0.00 -1.68 0.00 0.00 37.83 33.07 1stb s LYS 97 CO 0.00 0.63 1.25 1.41 -0.76 0.00 0.00 175.35 177.88 1stb s MET 98 N -0.64 3.86 0.33 1.68 1.75 -1.26 -0.33 119.30 124.69 1stb s MET 98 Ca 0.12 1.06 0.05 0.00 -1.25 0.00 0.00 55.69 55.66 1stb s MET 98 Cb -0.12 -3.88 0.68 0.00 2.84 0.00 0.00 34.83 34.35 1stb s MET 98 CO 0.02 -1.19 1.89 0.28 -0.65 0.00 0.00 175.02 175.37 1stb h VAL 99 N 6.04 0.95 -0.10 10.11 2.07 -1.35 -1.60 116.25 132.36 1stb h VAL 99 Ca -0.25 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1stb h VAL 99 Cb 1.09 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1stb h VAL 99 CO 1.06 0.15 -0.17 0.78 0.02 0.00 0.00 177.57 179.41 1stb h ASN 100 N 0.85 -0.52 -0.14 0.57 4.21 -1.91 -1.51 115.58 117.13 1stb h ASN 100 Ca 0.42 0.09 -0.19 0.00 1.21 0.00 0.00 56.30 57.82 1stb h ASN 100 Cb 0.45 0.24 0.01 0.00 -1.12 0.00 0.00 38.32 37.90 1stb h ASN 100 CO -0.18 -0.22 -0.66 -0.08 -1.29 0.00 0.00 177.43 175.00 1stb h GLU 101 N -0.23 0.70 -0.92 0.81 4.22 -1.84 -2.78 114.58 114.54 1stb h GLU 101 Ca 0.09 -0.56 0.04 0.00 0.08 0.00 0.00 59.36 59.01 1stb h GLU 101 Cb 0.35 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1stb h GLU 101 CO -0.24 1.18 0.60 0.00 -2.18 0.00 0.00 179.01 178.37 1stb h ALA 102 N 0.53 1.24 -0.29 2.92 0.00 -1.05 0.19 119.26 122.80 1stb h ALA 102 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1stb h ALA 102 Cb 1.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1stb h ALA 102 CO 0.14 0.43 0.16 -0.07 0.00 0.00 0.00 179.25 179.91 1stb h LEU 103 N 1.14 0.25 -0.69 0.00 -0.00 -1.22 -1.86 115.31 112.93 1stb h LEU 103 Ca 0.38 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 58.21 1stb h LEU 103 Cb 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1stb h LEU 103 CO -0.14 0.19 0.24 0.58 -0.00 0.00 0.00 178.44 179.31 1stb h VAL 104 N 0.33 1.25 -0.28 1.22 2.07 -1.18 -0.16 116.25 119.50 1stb h VAL 104 Ca 0.11 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 1stb h VAL 104 Cb 0.01 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1stb h VAL 104 CO -0.06 0.33 -0.27 -0.09 0.02 0.00 0.00 177.57 177.49 1stb h ARG 105 N 1.00 0.56 0.00 1.57 9.65 -0.47 -1.84 114.38 124.86 1stb h ARG 105 Ca 0.23 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1stb h ARG 105 Cb 0.26 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1stb h ARG 105 CO -0.01 0.78 0.00 0.94 2.80 0.00 0.00 179.97 184.48 1stb n GLN 106 N -4.10 0.06 -2.13 0.20 -0.06 -0.71 -4.34 117.38 106.29 1stb n GLN 106 Ca -0.00 0.17 -0.08 0.00 -2.00 0.00 0.00 57.00 55.08 1stb n GLN 106 Cb 0.43 -1.50 -0.00 0.00 -4.06 0.00 0.00 30.24 25.11 1stb n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1stb n GLY 107 N 0.39 0.05 0.57 1.69 0.00 -0.69 -4.48 105.19 102.73 1stb n GLY 107 Ca 0.05 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1stb n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1stb n LEU 108 N -1.20 2.15 -3.63 0.99 4.77 -0.09 -2.43 117.00 117.56 1stb n LEU 108 Ca -0.10 -0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 54.82 1stb n LEU 108 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1stb n LEU 108 CO 0.12 0.39 0.21 0.00 -1.33 0.00 0.00 177.39 176.78 1stb s ALA 109 N -1.58 -1.17 0.16 -1.18 0.00 -1.19 -4.16 121.76 112.65 1stb s ALA 109 Ca 0.18 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1stb s ALA 109 Cb 0.14 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1stb s ALA 109 CO 0.28 -0.44 0.08 0.15 0.00 0.00 0.00 175.76 175.82 1stb s LYS 110 N -2.20 2.69 -0.03 0.00 1.02 -0.52 -4.42 119.74 116.28 1stb s LYS 110 Ca -0.07 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.67 1stb s LYS 110 Cb -0.01 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1stb s LYS 110 CO -0.00 0.48 1.17 0.08 -0.92 0.00 0.00 175.35 176.16 1stb s VAL 111 N -1.71 4.28 0.36 3.17 1.01 -1.26 -0.78 120.40 125.47 1stb s VAL 111 Ca 0.29 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.75 1stb s VAL 111 Cb -0.10 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1stb s VAL 111 CO 0.21 0.03 0.70 0.00 0.00 0.00 0.00 175.10 176.05 1stb s ALA 112 N 1.88 -0.45 -1.33 5.51 0.00 -0.12 -4.87 121.76 122.39 1stb s ALA 112 Ca 0.56 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1stb s ALA 112 Cb -0.25 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1stb s ALA 112 CO 0.24 -0.95 0.47 0.66 0.00 0.00 0.00 175.76 176.18 1stb n TYR 113 N -0.53 -1.55 -3.09 0.00 4.01 -1.26 -3.59 117.16 111.14 1stb n TYR 113 Ca -0.06 0.48 -0.42 0.00 -0.16 0.00 0.00 57.90 57.74 1stb n TYR 113 Cb 0.60 -3.23 -0.07 0.00 -0.31 0.00 0.00 39.34 36.33 1stb n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1stb s VAL 114 N -3.84 4.84 -0.20 -0.72 1.01 -1.26 -4.52 120.40 115.69 1stb s VAL 114 Ca 0.23 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1stb s VAL 114 Cb -0.10 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.16 1stb s VAL 114 CO 0.93 -0.48 -0.09 -0.31 0.00 0.00 0.00 175.10 175.15 1stb s TYR 115 N 2.82 2.41 0.66 5.22 2.02 -1.26 -5.08 117.35 124.13 1stb s TYR 115 Ca 0.24 -1.61 -0.14 0.00 -0.37 0.00 0.00 57.07 55.19 1stb s TYR 115 Cb -0.14 -1.62 -0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1stb s TYR 115 CO 0.17 -0.75 1.09 0.15 -1.57 0.00 0.00 175.55 174.64 1stb s LYS 116 N 1.40 2.92 0.00 -0.62 1.02 -1.26 0.09 119.74 123.28 1stb s LYS 116 Ca -0.02 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.23 1stb s LYS 116 Cb -0.17 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1stb s LYS 116 CO -0.08 -1.14 0.89 -0.35 -0.92 0.00 0.00 175.35 173.75 1stb n PRO 117 N -2.50 0.88 -2.02 -1.68 -0.04 -1.26 -4.96 135.00 123.42 1stb n PRO 117 Ca 0.09 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 1stb n PRO 117 Cb 0.53 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1stb n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1stb n ASN 118 N -0.50 7.84 -2.55 3.54 3.02 0.11 -4.26 115.26 122.46 1stb n ASN 118 Ca 0.00 -3.14 -0.01 0.00 -0.03 0.00 0.00 54.58 51.40 1stb n ASN 118 Cb 0.00 -1.37 0.08 0.00 -0.61 0.00 0.00 39.78 37.88 1stb n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1stb n ASN 119 N 1.88 0.00 -0.10 6.41 6.94 -1.26 -4.30 115.26 124.83 1stb n ASN 119 Ca 0.61 -2.11 -0.02 0.00 -0.02 0.00 0.00 54.58 53.04 1stb n ASN 119 Cb 0.25 0.11 0.22 0.00 -2.36 0.00 0.00 39.78 38.00 1stb n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1stb h THR 120 N 4.94 1.21 -0.80 5.53 2.02 -1.97 -2.13 112.91 121.72 1stb h THR 120 Ca -0.31 -0.77 -0.31 0.00 0.77 0.00 0.00 66.41 65.78 1stb h THR 120 Cb 1.33 0.70 -0.19 0.00 -1.74 0.00 0.00 68.15 68.25 1stb h THR 120 CO -0.02 0.29 0.38 1.41 0.37 0.00 0.00 175.52 177.94 1stb n HIS 121 N -4.29 2.57 -0.06 3.16 8.25 -1.26 -4.62 115.22 118.97 1stb n HIS 121 Ca 0.04 -1.44 -0.13 0.00 -0.26 0.00 0.00 57.72 55.92 1stb n HIS 121 Cb 0.22 -0.76 -0.07 0.00 1.12 0.00 0.00 29.99 30.50 1stb n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1stb h GLU 122 N 1.99 0.37 -0.56 -0.41 4.81 -1.77 -2.19 114.58 116.83 1stb h GLU 122 Ca 0.39 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1stb h GLU 122 Cb 2.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.83 1stb h GLU 122 CO 0.84 0.74 0.08 1.96 -0.73 0.00 0.00 179.01 181.90 1stb h GLN 123 N 0.02 0.90 -0.61 1.92 1.08 -1.82 -0.61 115.11 115.98 1stb h GLN 123 Ca 0.03 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1stb h GLN 123 Cb 0.67 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1stb h GLN 123 CO 0.04 0.84 0.32 1.25 -0.95 0.00 0.00 178.83 180.33 1stb h HIS 124 N 0.85 0.86 0.00 2.96 2.76 -1.86 -1.08 115.15 119.63 1stb h HIS 124 Ca 0.17 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 1stb h HIS 124 Cb 0.39 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1stb h HIS 124 CO 0.02 0.63 -0.55 -0.07 -1.30 0.00 0.00 177.93 176.67 1stb h LEU 125 N 0.84 0.00 -0.49 0.26 4.07 -1.09 -2.84 115.31 116.06 1stb h LEU 125 Ca 0.21 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.03 1stb h LEU 125 Cb 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1stb h LEU 125 CO -0.03 0.55 -0.33 0.03 -1.08 0.00 0.00 178.44 177.58 1stb h ARG 126 N 0.00 0.89 0.45 1.13 2.47 -0.26 -1.11 114.38 117.95 1stb h ARG 126 Ca -0.01 -0.43 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1stb h ARG 126 Cb 1.10 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1stb h ARG 126 CO 0.07 1.08 -0.34 0.87 0.56 0.00 0.00 179.97 182.21 1stb h LYS 127 N 0.74 -0.75 -0.98 0.04 1.79 -1.20 -0.58 116.57 115.63 1stb h LYS 127 Ca 0.07 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.69 1stb h LYS 127 Cb 0.90 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.65 1stb h LYS 127 CO 0.08 -0.50 0.63 0.77 -1.08 0.00 0.00 179.45 179.35 1stb h SER 128 N -0.77 0.94 -0.64 0.86 0.02 -1.47 0.21 113.55 112.70 1stb h SER 128 Ca -0.04 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1stb h SER 128 Cb 0.66 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1stb h SER 128 CO 0.01 0.55 0.06 -0.08 -1.14 0.00 0.00 176.83 176.23 1stb h GLU 129 N 1.04 1.08 -0.23 3.45 4.81 -1.12 -1.92 114.58 121.69 1stb h GLU 129 Ca 0.45 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1stb h GLU 129 Cb 0.34 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1stb h GLU 129 CO -0.21 1.02 0.13 0.00 -0.73 0.00 0.00 179.01 179.22 1stb h ALA 130 N 1.02 0.28 -0.25 2.92 0.00 0.64 -2.30 119.26 121.57 1stb h ALA 130 Ca 0.19 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1stb h ALA 130 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1stb h ALA 130 CO 0.02 -0.27 0.11 0.37 0.00 0.00 0.00 179.25 179.47 1stb h GLN 131 N 0.27 0.23 -0.84 0.00 5.75 -1.04 -0.69 115.11 118.78 1stb h GLN 131 Ca 0.09 -0.01 0.17 0.00 -0.15 0.00 0.00 58.65 58.74 1stb h GLN 131 Cb -0.00 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 1stb h GLN 131 CO -0.04 0.15 0.56 0.00 -2.65 0.00 0.00 178.83 176.84 1stb h ALA 132 N 1.14 2.08 -0.14 3.38 0.00 -1.24 -0.27 119.26 124.21 1stb h ALA 132 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1stb h ALA 132 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1stb h ALA 132 CO -0.09 -0.32 -0.09 0.87 0.00 0.00 0.00 179.25 179.62 1stb h LYS 133 N 0.48 0.30 0.09 0.00 1.57 -0.83 -0.46 116.57 117.72 1stb h LYS 133 Ca 0.43 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1stb h LYS 133 Cb 0.94 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1stb h LYS 133 CO -0.16 0.66 -0.37 0.87 -0.57 0.00 0.00 179.45 179.88 1stb h LYS 134 N -0.05 -0.56 0.00 3.15 1.57 -0.65 -2.45 116.57 117.57 1stb h LYS 134 Ca 0.03 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1stb h LYS 134 Cb 0.58 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1stb h LYS 134 CO 0.03 -0.38 0.00 0.39 -0.57 0.00 0.00 179.45 178.92 1stb n GLU 135 N -5.44 0.69 -3.59 3.15 1.02 -0.16 -4.89 120.64 111.42 1stb n GLU 135 Ca -0.07 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.85 1stb n GLU 135 Cb 0.35 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 1stb n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1stb n LYS 136 N -0.98 -7.00 -3.07 3.49 5.02 -0.80 -4.96 118.16 109.86 1stb n LYS 136 Ca 0.16 0.79 -0.39 0.00 -2.02 0.00 0.00 58.31 56.84 1stb n LYS 136 Cb 0.07 -5.77 -0.05 0.00 -0.02 0.00 0.00 35.03 29.26 1stb n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1stb s LEU 137 N -6.96 4.36 0.00 -0.35 1.43 -0.25 -3.55 118.68 113.36 1stb s LEU 137 Ca 0.36 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1stb s LEU 137 Cb -0.16 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1stb s LEU 137 CO 0.75 -0.05 0.00 0.59 0.23 0.00 0.00 176.35 177.87 1stb n ASN 138 N 3.42 0.00 0.26 2.29 3.02 -1.26 -1.35 115.26 121.63 1stb n ASN 138 Ca -0.03 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.62 1stb n ASN 138 Cb 0.51 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.36 1stb n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1stb h ILE 139 N 0.00 0.80 -0.20 2.41 3.07 -1.81 -1.99 117.51 119.79 1stb h ILE 139 Ca 0.00 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1stb h ILE 139 Cb 0.00 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1stb h ILE 139 CO 0.00 0.10 0.00 0.79 -1.05 0.00 0.00 178.15 177.99 1stb n TRP 140 N -4.01 0.25 1.95 0.16 7.02 -0.46 -5.16 117.44 117.19 1stb n TRP 140 Ca -0.02 -0.13 0.16 0.00 -1.02 0.00 0.00 57.50 56.49 1stb n TRP 140 Cb 0.19 0.00 0.90 0.00 -2.42 0.00 0.00 31.31 29.99 1stb n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54