#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0h s HIS 8 N 0.00 0.13 0.22 -1.77 -3.43 -1.26 -5.12 115.29 104.06 2f0h s HIS 8 Ca 0.00 -0.38 -0.02 0.00 -0.80 0.00 0.00 55.06 53.85 2f0h s HIS 8 Cb 0.00 -0.09 -0.05 0.00 -1.43 0.00 0.00 32.58 31.01 2f0h s HIS 8 CO 0.00 -0.38 0.43 0.15 -2.00 0.00 0.00 174.74 172.94 2f0h s LYS 9 N -2.45 3.56 0.06 -0.38 1.02 -1.26 -4.28 119.74 116.01 2f0h s LYS 9 Ca -0.06 -0.23 0.05 0.00 0.02 0.00 0.00 55.97 55.75 2f0h s LYS 9 Cb -0.02 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2f0h s LYS 9 CO -0.04 0.36 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.41 2f0h s GLU 10 N -3.30 0.86 0.31 1.68 2.02 -0.47 -4.96 118.70 114.85 2f0h s GLU 10 Ca 0.40 -0.87 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 2f0h s GLU 10 Cb -0.11 -0.88 -0.10 0.00 0.10 0.00 0.00 34.13 33.15 2f0h s GLU 10 CO 0.29 0.20 0.87 -1.25 0.02 0.00 0.00 175.26 175.40 2f0h s PRO 11 N -1.49 4.41 0.09 0.39 0.04 -1.26 -0.18 135.00 137.00 2f0h s PRO 11 Ca -0.00 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2f0h s PRO 11 Cb -0.09 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2f0h s PRO 11 CO 0.02 0.26 0.01 0.00 0.04 0.00 0.00 177.00 177.33 2f0h s ALA 12 N -1.69 0.67 -0.07 8.56 0.00 -0.67 -4.63 121.76 123.92 2f0h s ALA 12 Ca 0.50 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2f0h s ALA 12 Cb -0.16 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.50 2f0h s ALA 12 CO 0.21 -0.42 -0.15 0.99 0.00 0.00 0.00 175.76 176.39 2f0h s THR 13 N -3.98 1.34 0.50 0.00 2.01 -0.88 -4.08 115.64 110.56 2f0h s THR 13 Ca 0.15 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 2f0h s THR 13 Cb 0.08 -1.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 2f0h s THR 13 CO -0.05 0.40 1.25 -0.22 -0.69 0.00 0.00 174.62 175.31 2f0h s LEU 14 N 0.55 3.92 0.00 4.42 2.96 -1.26 -0.70 118.68 128.58 2f0h s LEU 14 Ca -0.15 2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 56.25 2f0h s LEU 14 Cb -0.16 -4.28 -0.01 0.00 0.50 0.00 0.00 46.19 42.24 2f0h s LEU 14 CO 0.05 -1.23 -0.03 -0.38 -1.32 0.00 0.00 176.35 173.44 2f0h n ILE 15 N -0.79 0.42 -3.64 6.68 5.41 -0.52 -4.76 119.36 122.17 2f0h n ILE 15 Ca 0.09 0.08 -0.08 0.00 1.00 0.00 0.00 62.75 63.84 2f0h n ILE 15 Cb 0.47 -1.56 -0.07 0.00 -0.71 0.00 0.00 39.64 37.77 2f0h n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2f0h s LYS 16 N -2.05 0.70 -0.03 0.38 2.20 -0.90 -5.03 119.74 115.02 2f0h s LYS 16 Ca -0.03 1.08 -0.26 0.00 -0.36 0.00 0.00 55.97 56.40 2f0h s LYS 16 Cb 0.01 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2f0h s LYS 16 CO 0.04 -0.13 0.81 0.00 -0.36 0.00 0.00 175.35 175.71 2f0h s ALA 17 N 1.22 3.28 -0.14 3.13 0.00 -1.26 -0.19 121.76 127.81 2f0h s ALA 17 Ca -0.07 0.30 0.14 0.00 0.00 0.00 0.00 51.96 52.33 2f0h s ALA 17 Cb -0.05 -3.09 -0.19 0.00 0.00 0.00 0.00 23.12 19.79 2f0h s ALA 17 CO -0.14 -0.12 0.08 -0.89 0.00 0.00 0.00 175.76 174.70 2f0h n ILE 18 N 3.67 0.92 -3.79 0.00 5.41 -0.60 -4.94 119.36 120.03 2f0h n ILE 18 Ca 0.01 -0.61 -0.05 0.00 1.00 0.00 0.00 62.75 63.11 2f0h n ILE 18 Cb 0.51 -0.53 -0.01 0.00 -0.71 0.00 0.00 39.64 38.90 2f0h n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2f0h s ASP 19 N -4.74 -0.18 0.43 4.38 -1.08 -0.88 -4.97 116.67 109.62 2f0h s ASP 19 Ca -0.07 -0.50 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 2f0h s ASP 19 Cb 0.05 0.57 0.92 0.00 -1.46 0.00 0.00 42.92 43.00 2f0h s ASP 19 CO 0.62 -1.05 2.07 1.23 0.52 0.00 0.00 175.17 178.55 2f0h h GLY 20 N 2.00 0.47 -0.77 2.66 0.00 -1.84 -3.15 103.07 102.45 2f0h h GLY 20 Ca -0.23 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2f0h h GLY 20 CO 0.26 0.18 -0.06 2.09 0.00 0.00 0.00 176.54 179.01 2f0h n ASP 21 N -4.48 1.73 -4.06 0.19 3.85 -1.26 -4.82 116.55 107.70 2f0h n ASP 21 Ca 0.02 -1.36 -0.26 0.00 -0.71 0.00 0.00 54.79 52.47 2f0h n ASP 21 Cb 0.07 0.12 -0.17 0.00 -1.35 0.00 0.00 41.12 39.80 2f0h n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2f0h s THR 22 N -1.03 1.32 0.02 2.12 2.01 -1.19 -0.93 115.64 117.97 2f0h s THR 22 Ca 0.12 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2f0h s THR 22 Cb 0.09 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 2f0h s THR 22 CO 0.17 0.40 -0.04 0.68 -0.69 0.00 0.00 174.62 175.14 2f0h s VAL 23 N 0.63 0.17 -0.24 3.82 -7.23 0.15 -1.55 120.40 116.15 2f0h s VAL 23 Ca -0.15 -0.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.98 2f0h s VAL 23 Cb -0.16 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.42 2f0h s VAL 23 CO 0.04 -0.48 0.15 -0.75 -0.31 0.00 0.00 175.10 173.75 2f0h s LYS 24 N -1.48 4.03 0.18 4.82 2.20 0.74 0.14 119.74 130.36 2f0h s LYS 24 Ca -0.15 -0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.25 2f0h s LYS 24 Cb -0.10 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2f0h s LYS 24 CO -0.01 0.04 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.35 2f0h s LEU 25 N 1.10 2.49 -0.42 5.43 1.43 -0.19 -1.43 118.68 127.09 2f0h s LEU 25 Ca 0.07 -0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 52.02 2f0h s LEU 25 Cb -0.14 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.36 2f0h s LEU 25 CO 0.05 -0.10 0.77 -0.32 0.23 0.00 0.00 176.35 176.98 2f0h s MET 26 N -3.14 3.52 -0.09 1.70 -2.45 0.12 0.42 119.30 119.39 2f0h s MET 26 Ca 0.18 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.65 2f0h s MET 26 Cb -0.04 -3.89 0.02 0.00 1.25 0.00 0.00 34.83 32.17 2f0h s MET 26 CO 0.06 -1.01 -0.12 -0.47 1.05 0.00 0.00 175.02 174.54 2f0h s TYR 27 N 3.18 1.58 -0.90 4.11 5.04 0.12 -2.07 117.35 128.41 2f0h s TYR 27 Ca 0.30 -0.68 -0.22 0.00 -2.44 0.00 0.00 57.07 54.03 2f0h s TYR 27 Cb -0.13 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 41.02 2f0h s TYR 27 CO 0.20 -0.38 0.53 1.63 -1.34 0.00 0.00 175.55 176.19 2f0h n LYS 28 N 4.19 -0.57 -0.88 4.97 5.02 -1.26 -2.28 118.16 127.34 2f0h n LYS 28 Ca -0.19 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2f0h n LYS 28 Cb 0.51 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2f0h n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f0h n GLY 29 N -1.77 0.51 3.15 0.72 0.00 -1.26 -5.01 105.19 101.53 2f0h n GLY 29 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2f0h n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f0h s GLN 30 N -0.51 1.75 0.29 1.61 1.11 -0.97 -5.11 119.66 117.84 2f0h s GLN 30 Ca 0.00 -0.63 -0.29 0.00 0.01 0.00 0.00 55.36 54.45 2f0h s GLN 30 Cb 0.00 -1.55 -0.10 0.00 -1.01 0.00 0.00 33.01 30.35 2f0h s GLN 30 CO 0.00 0.27 1.45 -2.14 0.01 0.00 0.00 175.29 174.89 2f0h s PRO 31 N -0.05 4.23 -0.08 2.91 0.02 -1.26 -0.71 135.00 140.06 2f0h s PRO 31 Ca -0.02 2.39 -0.08 0.00 0.02 0.00 0.00 61.00 63.31 2f0h s PRO 31 Cb -0.11 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.37 2f0h s PRO 31 CO 0.02 -0.44 0.22 1.41 -0.33 0.00 0.00 177.00 177.88 2f0h s MET 32 N -0.94 0.29 -0.07 5.54 1.75 0.17 -4.88 119.30 121.15 2f0h s MET 32 Ca 0.57 0.25 -0.23 0.00 -1.25 0.00 0.00 55.69 55.03 2f0h s MET 32 Cb -0.43 0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.34 2f0h s MET 32 CO 0.49 -0.04 0.67 0.99 -0.65 0.00 0.00 175.02 176.48 2f0h s THR 33 N -0.03 5.07 -0.01 10.11 2.01 -1.26 -1.02 115.64 130.51 2f0h s THR 33 Ca -0.01 1.38 0.06 0.00 0.31 0.00 0.00 61.69 63.42 2f0h s THR 33 Cb -0.02 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2f0h s THR 33 CO 0.01 0.26 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.66 2f0h s PHE 34 N 0.77 2.57 -0.16 4.92 0.40 0.37 -1.19 117.98 125.66 2f0h s PHE 34 Ca 0.36 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2f0h s PHE 34 Cb -0.17 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 2f0h s PHE 34 CO 0.17 0.17 -0.04 0.50 0.70 0.00 0.00 175.22 176.72 2f0h s ARG 35 N -1.01 3.62 -0.11 0.44 6.06 -0.08 -0.67 118.95 127.20 2f0h s ARG 35 Ca 0.13 -0.54 -0.30 0.00 -2.50 0.00 0.00 55.73 52.52 2f0h s ARG 35 Cb -0.10 -2.91 -0.03 0.00 0.06 0.00 0.00 34.95 31.96 2f0h s ARG 35 CO 0.02 0.19 1.37 -0.51 -2.50 0.00 0.00 175.30 173.87 2f0h s LEU 36 N 0.49 4.24 0.40 -0.88 1.43 -0.10 -2.69 118.68 121.56 2f0h s LEU 36 Ca -0.04 1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 54.68 2f0h s LEU 36 Cb -0.14 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 2f0h s LEU 36 CO 0.03 -0.78 1.48 -0.76 0.23 0.00 0.00 176.35 176.55 2f0h s LEU 37 N 3.35 4.26 0.00 1.79 1.43 0.17 -3.54 118.68 126.15 2f0h s LEU 37 Ca 0.60 3.03 0.00 0.00 -1.03 0.00 0.00 54.13 56.74 2f0h s LEU 37 Cb -0.26 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.23 2f0h s LEU 37 CO 0.20 -0.96 0.00 0.18 0.23 0.00 0.00 176.35 176.00 2f0h n LEU 38 N 0.29 0.61 -4.19 1.79 4.77 -1.26 -4.92 117.00 114.08 2f0h n LEU 38 Ca 0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.79 2f0h n LEU 38 Cb 0.40 -1.50 -0.13 0.00 -2.33 0.00 0.00 43.42 39.86 2f0h n LEU 38 CO 0.63 -0.53 -0.48 0.68 -1.33 0.00 0.00 177.39 176.36 2f0h s VAL 39 N -1.60 1.27 -0.28 4.08 -7.23 -1.23 -0.53 120.40 114.88 2f0h s VAL 39 Ca 0.00 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2f0h s VAL 39 Cb 0.00 -1.17 0.06 0.00 0.56 0.00 0.00 36.38 35.83 2f0h s VAL 39 CO 0.00 -0.07 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.85 2f0h s ASP 40 N -1.48 4.63 0.20 4.85 1.11 -0.42 -4.72 116.67 120.83 2f0h s ASP 40 Ca 0.02 -1.38 0.01 0.00 0.18 0.00 0.00 52.55 51.37 2f0h s ASP 40 Cb -0.09 -1.61 -0.04 0.00 1.07 0.00 0.00 42.92 42.25 2f0h s ASP 40 CO 0.02 -0.22 0.36 0.42 1.18 0.00 0.00 175.17 176.93 2f0h s THR 41 N 1.15 5.24 0.55 -1.27 -4.23 -1.26 -0.77 115.64 115.05 2f0h s THR 41 Ca -0.07 -0.53 -0.21 0.00 -1.18 0.00 0.00 61.69 59.69 2f0h s THR 41 Cb -0.20 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 2f0h s THR 41 CO -0.04 -0.18 1.29 -2.65 -0.54 0.00 0.00 174.62 172.50 2f0h n PRO 42 N -0.75 1.57 -2.70 3.99 -0.02 -1.26 -4.89 135.00 130.94 2f0h n PRO 42 Ca -0.06 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 2f0h n PRO 42 Cb 0.54 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 2f0h n PRO 42 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2f0h s GLU 43 N -2.82 4.78 -0.10 -0.52 0.41 -1.26 -4.36 118.70 114.83 2f0h s GLU 43 Ca 0.72 1.53 0.06 0.00 -0.41 0.00 0.00 54.97 56.87 2f0h s GLU 43 Cb -0.43 -3.21 -0.11 0.00 -1.78 0.00 0.00 34.13 28.61 2f0h s GLU 43 CO 0.49 0.43 -0.01 0.25 -0.49 0.00 0.00 175.26 175.94 2f0h n THR 44 N 1.32 0.68 0.00 3.63 -2.24 -1.26 -0.48 114.28 115.93 2f0h n THR 44 Ca -0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2f0h n THR 44 Cb 0.47 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2f0h n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2f0h n LYS 45 N -2.50 0.00 0.00 -0.78 4.76 -1.26 -4.29 118.16 114.09 2f0h n LYS 45 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2f0h n LYS 45 Cb 0.79 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.98 2f0h n LYS 45 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2f0h n HIS 46 N 0.00 0.00 1.71 2.13 -0.00 -1.26 -4.44 115.22 113.36 2f0h n HIS 46 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 2f0h n HIS 46 Cb 0.00 0.00 0.24 0.00 -0.12 0.00 0.00 29.99 30.11 2f0h n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2f0h n PRO 47 N 0.09 0.86 -0.31 1.57 -0.04 -1.26 -2.64 135.00 133.26 2f0h n PRO 47 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 2f0h n PRO 47 Cb 0.00 -1.15 0.33 0.00 -0.04 0.00 0.00 33.50 32.64 2f0h n PRO 47 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2f0h h LYS 48 N 0.00 0.40 0.00 0.54 3.64 -2.01 -3.39 116.57 115.75 2f0h h LYS 48 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2f0h h LYS 48 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2f0h h LYS 48 CO 0.00 0.27 -0.04 0.36 -2.27 0.00 0.00 179.45 177.77 2f0h n LYS 49 N -5.03 0.00 0.00 1.90 0.00 -1.23 -5.16 118.16 108.64 2f0h n LYS 49 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2f0h n LYS 49 Cb 0.70 -0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.70 2f0h n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2f0h n GLY 50 N 1.60 0.59 3.17 2.58 0.00 -1.08 -5.02 105.19 107.03 2f0h n GLY 50 Ca 0.00 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 2f0h n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f0h s VAL 51 N 0.00 3.85 0.90 1.61 1.01 -1.26 -4.20 120.40 122.31 2f0h s VAL 51 Ca 0.00 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 59.91 2f0h s VAL 51 Cb 0.00 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.94 2f0h s VAL 51 CO 0.00 -0.75 1.10 -1.61 0.00 0.00 0.00 175.10 173.84 2f0h s GLU 52 N 1.19 1.16 0.01 2.72 2.02 0.37 -4.91 118.70 121.27 2f0h s GLU 52 Ca 0.07 1.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 2f0h s GLU 52 Cb -0.24 -1.77 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 2f0h s GLU 52 CO -0.02 -2.40 1.38 0.15 0.02 0.00 0.00 175.26 174.39 2f0h s LYS 53 N -4.78 4.30 0.00 1.61 1.02 -1.26 -1.95 119.74 118.68 2f0h s LYS 53 Ca 0.64 1.95 0.00 0.00 0.02 0.00 0.00 55.97 58.59 2f0h s LYS 53 Cb -0.20 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 2f0h s LYS 53 CO 0.58 -0.54 0.00 0.66 -0.92 0.00 0.00 175.35 175.13 2f0h n TYR 54 N 5.13 0.00 0.27 3.18 4.01 -1.26 -4.84 117.16 123.65 2f0h n TYR 54 Ca 0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.71 2f0h n TYR 54 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 2f0h n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2f0h h GLY 55 N 0.00 -0.69 1.84 2.72 0.00 -1.59 0.26 103.07 105.62 2f0h h GLY 55 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 2f0h h GLY 55 CO 0.00 -0.25 -0.13 -2.55 0.00 0.00 0.00 176.54 173.61 2f0h h PRO 56 N -0.66 0.20 -0.37 4.80 0.11 -1.85 -1.08 132.00 133.15 2f0h h PRO 56 Ca -0.06 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 2f0h h PRO 56 Cb 0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2f0h h PRO 56 CO 0.08 0.34 -0.28 0.93 -0.21 0.00 0.00 178.00 178.86 2f0h h GLU 57 N 0.19 0.85 -0.51 1.05 3.07 -1.90 -1.04 114.58 116.29 2f0h h GLU 57 Ca 0.04 -0.41 -0.12 0.00 -0.50 0.00 0.00 59.36 58.37 2f0h h GLU 57 Cb 0.35 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 2f0h h GLU 57 CO 0.02 1.05 -0.16 0.00 -1.40 0.00 0.00 179.01 178.53 2f0h h ALA 58 N 0.78 0.76 -0.57 3.43 0.00 -0.00 -0.92 119.26 122.73 2f0h h ALA 58 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2f0h h ALA 58 Cb 0.85 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2f0h h ALA 58 CO 0.07 0.67 -0.04 0.66 0.00 0.00 0.00 179.25 180.62 2f0h h SER 59 N 0.87 1.01 -0.34 0.00 4.64 -1.10 -2.04 113.55 116.59 2f0h h SER 59 Ca 0.13 -0.30 -0.10 0.00 -0.47 0.00 0.00 61.79 61.05 2f0h h SER 59 Cb 0.72 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2f0h h SER 59 CO 0.06 1.08 -0.14 0.00 -0.87 0.00 0.00 176.83 176.96 2f0h h ALA 60 N 1.01 0.94 -0.14 5.18 0.00 -0.92 -0.97 119.26 124.37 2f0h h ALA 60 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2f0h h ALA 60 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2f0h h ALA 60 CO 0.04 0.62 0.08 0.35 0.00 0.00 0.00 179.25 180.34 2f0h h PHE 61 N 0.71 0.16 -0.42 0.00 3.57 -0.89 -0.19 116.94 119.88 2f0h h PHE 61 Ca 0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2f0h h PHE 61 Cb 0.64 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2f0h h PHE 61 CO 0.03 0.10 0.19 1.15 -2.23 0.00 0.00 178.31 177.55 2f0h h THR 62 N 0.17 1.19 -0.08 4.41 2.02 -1.12 -0.61 112.91 118.89 2f0h h THR 62 Ca 0.05 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.72 2f0h h THR 62 Cb -0.01 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 2f0h h THR 62 CO -0.02 0.20 -0.17 0.50 0.37 0.00 0.00 175.52 176.41 2f0h h LYS 63 N 0.54 -0.23 0.12 6.66 3.64 -0.99 -1.68 116.57 124.63 2f0h h LYS 63 Ca 0.14 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2f0h h LYS 63 Cb 0.14 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2f0h h LYS 63 CO -0.02 -0.15 -0.06 0.87 -2.27 0.00 0.00 179.45 177.82 2f0h h LYS 64 N -0.24 -0.16 -0.96 1.90 6.56 -0.78 0.74 116.57 123.64 2f0h h LYS 64 Ca 0.08 0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.81 2f0h h LYS 64 Cb 0.35 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 31.97 2f0h h LYS 64 CO -0.22 0.02 0.61 1.98 -2.06 0.00 0.00 179.45 179.78 2f0h h MET 65 N -0.31 0.85 0.23 3.15 4.05 -1.02 -0.14 114.93 121.73 2f0h h MET 65 Ca -0.02 -0.05 -0.33 0.00 -0.28 0.00 0.00 59.70 59.02 2f0h h MET 65 Cb 0.25 -0.19 0.04 0.00 -0.80 0.00 0.00 31.60 30.90 2f0h h MET 65 CO 0.03 0.56 -1.44 -0.07 0.23 0.00 0.00 176.91 176.22 2f0h h LEU 66 N 0.87 0.85 -1.31 3.39 3.38 -0.90 -3.27 115.31 118.32 2f0h h LEU 66 Ca 0.48 -0.89 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 2f0h h LEU 66 Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2f0h h LEU 66 CO -0.24 1.69 -0.32 -0.33 0.09 0.00 0.00 178.44 179.33 2f0h h GLU 67 N 0.17 0.00 -0.38 1.13 5.08 0.14 -2.92 114.58 117.80 2f0h h GLU 67 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2f0h h GLU 67 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2f0h h GLU 67 CO 0.27 0.32 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 2f0h n ASN 68 N -3.82 2.53 -4.86 1.42 5.03 -0.15 -4.95 115.26 110.46 2f0h n ASN 68 Ca -0.01 -1.92 -0.32 0.00 0.87 0.00 0.00 54.58 53.20 2f0h n ASN 68 Cb 0.40 -0.25 -0.05 0.00 -1.02 0.00 0.00 39.78 38.85 2f0h n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2f0h s ALA 69 N -1.50 3.40 -0.08 5.41 0.00 -1.10 -4.99 121.76 122.89 2f0h s ALA 69 Ca 0.34 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 2f0h s ALA 69 Cb 0.18 -2.65 -0.29 0.00 0.00 0.00 0.00 23.12 20.36 2f0h s ALA 69 CO 0.25 0.33 0.85 0.87 0.00 0.00 0.00 175.76 178.06 2f0h h LYS 70 N 2.16 0.18 -4.54 0.00 1.57 -1.92 -3.46 116.57 110.55 2f0h h LYS 70 Ca -0.47 -0.30 -0.51 0.00 -1.87 0.00 0.00 60.65 57.50 2f0h h LYS 70 Cb 1.18 0.11 -0.33 0.00 0.08 0.00 0.00 32.23 33.26 2f0h h LYS 70 CO 0.66 1.14 -0.81 0.15 -0.57 0.00 0.00 179.45 180.02 2f0h s LYS 71 N -2.36 1.62 -0.08 3.15 1.02 -1.26 -5.03 119.74 116.80 2f0h s LYS 71 Ca -0.16 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2f0h s LYS 71 Cb -0.01 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 2f0h s LYS 71 CO 0.77 0.03 -0.04 0.42 -0.92 0.00 0.00 175.35 175.62 2f0h s ILE 72 N 0.64 3.97 0.01 2.17 1.01 -1.26 -1.68 121.20 126.06 2f0h s ILE 72 Ca -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2f0h s ILE 72 Cb -0.15 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2f0h s ILE 72 CO 0.03 0.59 -0.07 -1.61 0.00 0.00 0.00 174.94 173.88 2f0h s GLU 73 N -0.72 0.55 -0.13 2.79 2.02 -0.51 -1.67 118.70 121.03 2f0h s GLU 73 Ca 0.11 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.64 2f0h s GLU 73 Cb -0.11 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 33.60 2f0h s GLU 73 CO 0.02 0.12 -0.00 0.14 0.02 0.00 0.00 175.26 175.56 2f0h s VAL 74 N -0.55 4.25 -0.25 2.63 -7.23 0.75 0.15 120.40 120.15 2f0h s VAL 74 Ca -0.01 -0.25 -0.00 0.00 -1.81 0.00 0.00 61.98 59.91 2f0h s VAL 74 Cb -0.05 -2.84 0.04 0.00 0.56 0.00 0.00 36.38 34.09 2f0h s VAL 74 CO 0.00 0.53 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.54 2f0h s GLU 75 N -0.14 2.63 0.42 4.82 2.12 0.84 -1.36 118.70 128.02 2f0h s GLU 75 Ca 0.04 -1.11 -0.21 0.00 0.36 0.00 0.00 54.97 54.06 2f0h s GLU 75 Cb -0.13 -2.94 -0.11 0.00 0.26 0.00 0.00 34.13 31.21 2f0h s GLU 75 CO 0.02 -0.46 0.94 -0.06 -0.54 0.00 0.00 175.26 175.16 2f0h s PHE 76 N 1.25 3.32 0.00 5.30 0.40 -1.26 -0.62 117.98 126.37 2f0h s PHE 76 Ca -0.03 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 2f0h s PHE 76 Cb -0.18 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.52 2f0h s PHE 76 CO -0.05 -0.09 0.00 -3.47 0.70 0.00 0.00 175.22 172.31 2f0h n ASP 77 N -0.61 0.00 0.19 1.36 -0.08 -1.26 -4.73 116.55 111.42 2f0h n ASP 77 Ca 0.07 -0.73 0.12 0.00 -1.51 0.00 0.00 54.79 52.74 2f0h n ASP 77 Cb 0.54 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.20 2f0h n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2f0h h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.97 -3.47 116.57 112.04 2f0h h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f0h h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2f0h h LYS 78 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2f0h n GLY 79 N 1.15 1.49 3.76 3.86 0.00 -1.26 -4.96 105.19 109.22 2f0h n GLY 79 Ca 0.04 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2f0h n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f0h s GLN 80 N 2.43 3.13 0.00 1.61 0.00 -1.26 -4.93 119.66 120.64 2f0h s GLN 80 Ca 0.00 1.71 0.21 0.00 -0.00 0.00 0.00 55.36 57.27 2f0h s GLN 80 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 33.01 31.06 2f0h s GLN 80 CO 0.00 -1.05 1.04 0.54 0.00 0.00 0.00 175.29 175.82 2f0h n ARG 81 N -1.50 1.44 -4.04 9.60 1.74 -1.26 -4.82 116.66 117.82 2f0h n ARG 81 Ca 0.13 -1.05 -0.10 0.00 -0.77 0.00 0.00 57.85 56.06 2f0h n ARG 81 Cb 0.50 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 2f0h n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2f0h s THR 82 N -2.24 0.34 0.65 0.55 -4.23 -1.26 -0.25 115.64 109.19 2f0h s THR 82 Ca 0.18 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2f0h s THR 82 Cb 0.17 -0.66 0.12 0.00 1.34 0.00 0.00 72.50 73.47 2f0h s THR 82 CO 0.49 -0.54 0.90 -0.90 -0.54 0.00 0.00 174.62 174.03 2f0h n ASP 83 N 1.24 1.65 0.05 3.99 5.68 -0.16 -4.90 116.55 124.10 2f0h n ASP 83 Ca -0.21 -2.29 0.09 0.00 -0.50 0.00 0.00 54.79 51.88 2f0h n ASP 83 Cb 0.56 -0.54 0.37 0.00 -1.14 0.00 0.00 41.12 40.37 2f0h n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2f0h n LYS 84 N -2.57 0.08 0.00 0.11 2.85 -1.26 -0.25 118.16 117.12 2f0h n LYS 84 Ca 0.16 0.34 0.13 0.00 -1.05 0.00 0.00 58.31 57.89 2f0h n LYS 84 Cb 0.58 -1.66 0.31 0.00 -0.65 0.00 0.00 35.03 33.62 2f0h n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2f0h n TYR 85 N -1.81 0.00 -0.47 5.58 4.02 -1.26 -4.92 117.16 118.30 2f0h n TYR 85 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2f0h n TYR 85 Cb 0.18 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 2f0h n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2f0h n GLY 86 N 1.28 0.76 3.76 2.72 0.00 0.66 -5.05 105.19 109.32 2f0h n GLY 86 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2f0h n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f0h s ARG 87 N -0.53 4.51 0.37 1.61 0.52 -1.25 -4.77 118.95 119.41 2f0h s ARG 87 Ca 0.00 1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 56.02 2f0h s ARG 87 Cb 0.00 -3.32 -0.10 0.00 0.52 0.00 0.00 34.95 32.05 2f0h s ARG 87 CO 0.00 0.41 1.43 0.20 0.02 0.00 0.00 175.30 177.36 2f0h s GLY 88 N -0.52 2.96 -0.32 -3.53 0.00 -0.33 -0.98 107.32 104.59 2f0h s GLY 88 Ca 0.37 1.47 -0.07 0.00 0.00 0.00 0.00 44.72 46.49 2f0h s GLY 88 CO 0.24 2.14 0.10 1.08 0.00 0.00 0.00 173.10 176.66 2f0h s LEU 89 N -2.08 4.12 0.27 0.66 1.43 0.65 -0.90 118.68 122.82 2f0h s LEU 89 Ca 0.53 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2f0h s LEU 89 Cb -0.44 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2f0h s LEU 89 CO 0.59 -0.26 0.46 0.00 0.23 0.00 0.00 176.35 177.37 2f0h s ALA 90 N 1.47 0.08 -0.27 4.21 0.00 -1.10 -4.32 121.76 121.84 2f0h s ALA 90 Ca 0.01 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 2f0h s ALA 90 Cb -0.18 1.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.99 2f0h s ALA 90 CO 0.03 -0.82 0.21 0.71 0.00 0.00 0.00 175.76 175.89 2f0h s TYR 91 N -3.76 3.25 -0.16 0.00 2.02 0.21 -0.65 117.35 118.26 2f0h s TYR 91 Ca 0.25 0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 57.08 2f0h s TYR 91 Cb -0.00 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2f0h s TYR 91 CO 0.12 -0.11 0.09 0.42 -1.57 0.00 0.00 175.55 174.50 2f0h s ILE 92 N 1.61 5.08 -0.12 2.71 -1.09 -1.26 -0.12 121.20 128.01 2f0h s ILE 92 Ca 0.08 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 2f0h s ILE 92 Cb -0.15 -3.26 -0.01 0.00 -1.58 0.00 0.00 42.46 37.46 2f0h s ILE 92 CO 0.09 0.51 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.84 2f0h s TYR 93 N -0.15 2.73 -0.29 3.97 2.02 0.12 -0.21 117.35 125.54 2f0h s TYR 93 Ca 0.09 -0.83 -0.08 0.00 -0.37 0.00 0.00 57.07 55.88 2f0h s TYR 93 Cb -0.12 -1.81 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 2f0h s TYR 93 CO 0.01 -0.32 0.10 0.00 -1.57 0.00 0.00 175.55 173.77 2f0h s ALA 94 N 0.41 3.14 -1.36 3.71 0.00 0.18 -1.42 121.76 126.43 2f0h s ALA 94 Ca -0.13 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2f0h s ALA 94 Cb -0.16 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.76 2f0h s ALA 94 CO 0.06 -0.83 0.12 -0.25 0.00 0.00 0.00 175.76 174.86 2f0h n ASP 95 N 4.91 -0.03 0.00 0.00 10.43 -0.68 0.28 116.55 131.47 2f0h n ASP 95 Ca -0.15 -1.18 0.00 0.00 2.57 0.00 0.00 54.79 56.03 2f0h n ASP 95 Cb 0.49 -1.45 0.00 0.00 1.84 0.00 0.00 41.12 41.99 2f0h n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f0h n GLY 96 N -2.37 0.98 3.52 0.44 0.00 -1.26 -5.01 105.19 101.49 2f0h n GLY 96 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2f0h n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f0h s LYS 97 N -0.07 3.34 -0.20 1.61 1.02 0.14 -5.05 119.74 120.53 2f0h s LYS 97 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 2f0h s LYS 97 Cb 0.00 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2f0h s LYS 97 CO 0.00 0.39 1.49 1.41 -0.92 0.00 0.00 175.35 177.72 2f0h s MET 98 N -0.06 3.95 0.32 1.68 1.75 -1.26 0.51 119.30 126.19 2f0h s MET 98 Ca 0.01 1.65 0.02 0.00 -1.25 0.00 0.00 55.69 56.12 2f0h s MET 98 Cb -0.13 -3.95 0.59 0.00 2.84 0.00 0.00 34.83 34.18 2f0h s MET 98 CO 0.03 -1.09 1.93 0.28 -0.65 0.00 0.00 175.02 175.52 2f0h h VAL 99 N 5.91 1.07 -0.18 10.11 2.07 -0.95 -2.32 116.25 131.96 2f0h h VAL 99 Ca -0.32 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2f0h h VAL 99 Cb 1.14 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2f0h h VAL 99 CO 1.00 0.17 0.05 0.78 0.02 0.00 0.00 177.57 179.59 2f0h h ASN 100 N 0.95 0.05 -0.06 0.57 -0.26 -1.91 -1.12 115.58 113.80 2f0h h ASN 100 Ca 0.36 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.11 2f0h h ASN 100 Cb 0.19 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2f0h h ASN 100 CO -0.12 0.06 0.02 -0.08 -1.06 0.00 0.00 177.43 176.24 2f0h h GLU 101 N 0.14 0.09 -0.91 0.81 4.22 -1.87 -2.96 114.58 114.11 2f0h h GLU 101 Ca 0.08 -0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.63 2f0h h GLU 101 Cb 0.05 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2f0h h GLU 101 CO -0.09 0.27 0.58 0.00 -2.18 0.00 0.00 179.01 177.59 2f0h h ALA 102 N 0.82 1.73 -0.78 2.92 0.00 -1.21 0.27 119.26 123.00 2f0h h ALA 102 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2f0h h ALA 102 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2f0h h ALA 102 CO -0.00 0.04 0.30 -0.07 0.00 0.00 0.00 179.25 179.52 2f0h h LEU 103 N 0.79 1.09 -0.05 0.00 3.38 -1.06 -1.98 115.31 117.48 2f0h h LEU 103 Ca 0.45 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2f0h h LEU 103 Cb 0.60 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2f0h h LEU 103 CO -0.21 0.97 -0.33 0.58 0.09 0.00 0.00 178.44 179.54 2f0h h VAL 104 N 1.14 1.44 -0.82 1.22 2.07 -0.87 0.21 116.25 120.65 2f0h h VAL 104 Ca 0.26 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 66.07 2f0h h VAL 104 Cb 0.23 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 2f0h h VAL 104 CO -0.02 0.51 0.53 -0.09 0.02 0.00 0.00 177.57 178.52 2f0h h ARG 105 N -0.21 0.82 0.00 1.57 9.65 -0.53 0.23 114.38 125.91 2f0h h ARG 105 Ca -0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2f0h h ARG 105 Cb 1.00 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 2f0h h ARG 105 CO 0.07 0.54 0.00 1.04 2.80 0.00 0.00 179.97 184.42 2f0h n GLN 106 N -4.50 0.97 -1.88 0.20 1.13 -0.75 -4.32 117.38 108.24 2f0h n GLN 106 Ca 0.13 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.05 2f0h n GLN 106 Cb 0.26 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 2f0h n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f0h n GLY 107 N 0.92 0.51 1.15 1.08 0.00 0.07 -4.44 105.19 104.48 2f0h n GLY 107 Ca 0.23 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.99 2f0h n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f0h n LEU 108 N -1.74 3.66 -3.59 0.99 4.77 0.72 -1.87 117.00 119.94 2f0h n LEU 108 Ca -0.15 -1.98 -0.16 0.00 -0.03 0.00 0.00 56.01 53.69 2f0h n LEU 108 Cb 0.54 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2f0h n LEU 108 CO 0.19 0.91 0.34 0.00 -1.33 0.00 0.00 177.39 177.50 2f0h s ALA 109 N -1.02 -1.55 0.22 -1.18 0.00 -1.12 -4.29 121.76 112.83 2f0h s ALA 109 Ca 0.42 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 2f0h s ALA 109 Cb 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2f0h s ALA 109 CO 0.29 -0.34 0.45 0.15 0.00 0.00 0.00 175.76 176.31 2f0h s LYS 110 N -0.89 3.59 -0.43 0.00 -0.14 0.05 -4.49 119.74 117.42 2f0h s LYS 110 Ca -0.09 -0.14 -0.29 0.00 -1.36 0.00 0.00 55.97 54.09 2f0h s LYS 110 Cb -0.02 -2.77 0.01 0.00 -1.68 0.00 0.00 37.83 33.37 2f0h s LYS 110 CO 0.07 0.35 1.45 0.08 -0.76 0.00 0.00 175.35 176.54 2f0h s VAL 111 N -1.89 3.84 1.19 3.17 1.01 -1.26 -1.30 120.40 125.16 2f0h s VAL 111 Ca 0.41 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 2f0h s VAL 111 Cb -0.11 -4.19 0.24 0.00 0.00 0.00 0.00 36.38 32.32 2f0h s VAL 111 CO 0.28 -0.80 0.65 0.00 0.00 0.00 0.00 175.10 175.23 2f0h n ALA 112 N 9.14 -3.56 -2.10 5.51 0.00 0.31 -4.89 120.51 124.92 2f0h n ALA 112 Ca 0.16 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 2f0h n ALA 112 Cb 0.48 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 2f0h n ALA 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2f0h s TYR 113 N -2.31 3.05 -0.19 0.00 5.04 -1.26 -4.90 117.35 116.78 2f0h s TYR 113 Ca 0.64 0.79 -0.09 0.00 -2.44 0.00 0.00 57.07 55.97 2f0h s TYR 113 Cb -0.20 -3.76 -0.05 0.00 0.35 0.00 0.00 41.96 38.30 2f0h s TYR 113 CO 0.65 -2.79 0.12 0.08 -1.34 0.00 0.00 175.55 172.27 2f0h s VAL 114 N 1.48 5.29 -0.30 3.14 1.01 -1.26 -4.91 120.40 124.86 2f0h s VAL 114 Ca 0.67 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 2f0h s VAL 114 Cb -0.38 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.66 2f0h s VAL 114 CO 0.30 0.46 -0.02 -0.31 0.00 0.00 0.00 175.10 175.53 2f0h s TYR 115 N 0.23 3.30 0.53 5.22 1.51 -1.26 -5.06 117.35 121.82 2f0h s TYR 115 Ca 0.08 -2.05 -0.22 0.00 -1.01 0.00 0.00 57.07 53.87 2f0h s TYR 115 Cb -0.11 -2.14 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 2f0h s TYR 115 CO -0.01 -0.83 1.36 1.63 -1.11 0.00 0.00 175.55 176.58 2f0h n LYS 116 N 4.56 1.75 -0.84 -0.62 5.02 -1.26 -0.37 118.16 126.40 2f0h n LYS 116 Ca -0.12 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 56.74 2f0h n LYS 116 Cb 0.43 -2.57 0.23 0.00 -0.02 0.00 0.00 35.03 33.10 2f0h n LYS 116 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2f0h n PRO 117 N -0.90 3.01 -1.96 1.97 -0.04 -1.26 -5.00 135.00 130.81 2f0h n PRO 117 Ca 0.10 -2.42 -0.41 0.00 -0.04 0.00 0.00 63.50 60.73 2f0h n PRO 117 Cb 0.44 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2f0h n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2f0h n ASN 118 N -0.16 6.07 -0.52 3.54 3.02 0.50 -4.25 115.26 123.47 2f0h n ASN 118 Ca 0.35 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 2f0h n ASN 118 Cb 1.22 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 2f0h n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2f0h n ASN 119 N 3.80 0.02 -0.27 6.41 6.94 -1.26 -4.44 115.26 126.46 2f0h n ASN 119 Ca 0.54 -1.83 0.02 0.00 -0.02 0.00 0.00 54.58 53.28 2f0h n ASN 119 Cb 0.32 -0.17 0.23 0.00 -2.36 0.00 0.00 39.78 37.81 2f0h n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2f0h h THR 120 N 6.65 1.15 -0.59 5.53 2.02 -1.98 -2.22 112.91 123.48 2f0h h THR 120 Ca -0.01 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2f0h h THR 120 Cb 1.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2f0h h THR 120 CO 0.00 0.19 0.00 1.41 0.37 0.00 0.00 175.52 177.49 2f0h n HIS 121 N -4.44 1.82 -0.04 3.16 8.25 -1.26 -4.60 115.22 118.11 2f0h n HIS 121 Ca 0.11 -0.69 -0.09 0.00 -0.26 0.00 0.00 57.72 56.78 2f0h n HIS 121 Cb 0.09 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 2f0h n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2f0h h GLU 122 N 3.93 0.19 -0.42 -0.41 4.81 -1.79 -1.50 114.58 119.39 2f0h h GLU 122 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2f0h h GLU 122 Cb 1.77 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.09 2f0h h GLU 122 CO 0.39 0.12 0.13 1.96 -0.73 0.00 0.00 179.01 180.88 2f0h h GLN 123 N 0.19 0.64 -0.28 1.92 1.08 -1.81 0.13 115.11 116.98 2f0h h GLN 123 Ca 0.08 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2f0h h GLN 123 Cb 0.03 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.31 2f0h h GLN 123 CO -0.07 0.64 -0.12 1.25 -0.95 0.00 0.00 178.83 179.57 2f0h h HIS 124 N 0.53 -0.30 -0.59 2.96 -0.00 -1.86 -0.84 115.15 115.05 2f0h h HIS 124 Ca 0.13 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.47 2f0h h HIS 124 Cb 0.26 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.82 2f0h h HIS 124 CO 0.01 -0.19 0.11 -0.07 -0.00 0.00 0.00 177.93 177.79 2f0h h LEU 125 N -0.08 0.93 -1.75 0.26 3.38 -0.91 -1.89 115.31 115.26 2f0h h LEU 125 Ca 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2f0h h LEU 125 Cb 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2f0h h LEU 125 CO -0.33 0.95 -0.12 0.03 0.09 0.00 0.00 178.44 179.05 2f0h h ARG 126 N 0.88 0.00 -0.31 1.13 3.08 -0.04 0.43 114.38 119.55 2f0h h ARG 126 Ca 0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.09 2f0h h ARG 126 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2f0h h ARG 126 CO 0.01 0.12 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.44 2f0h h LYS 127 N 0.00 0.80 -0.34 0.04 3.64 -0.69 -2.03 116.57 117.99 2f0h h LYS 127 Ca -0.00 -0.45 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 2f0h h LYS 127 Cb 0.43 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2f0h h LYS 127 CO 0.02 1.08 -0.20 0.77 -2.27 0.00 0.00 179.45 178.84 2f0h h SER 128 N 0.57 0.65 0.05 4.20 0.02 -0.55 -2.24 113.55 116.26 2f0h h SER 128 Ca 0.04 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 2f0h h SER 128 Cb 0.96 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2f0h h SER 128 CO 0.09 0.85 -0.35 -0.08 -1.14 0.00 0.00 176.83 176.21 2f0h h GLU 129 N 0.58 0.41 -0.41 3.45 4.81 -0.80 -1.75 114.58 120.87 2f0h h GLU 129 Ca 0.09 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2f0h h GLU 129 Cb 0.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2f0h h GLU 129 CO 0.05 0.71 0.04 0.00 -0.73 0.00 0.00 179.01 179.08 2f0h h ALA 130 N 1.28 0.54 0.22 2.92 0.00 -1.17 -0.59 119.26 122.46 2f0h h ALA 130 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2f0h h ALA 130 Cb 0.78 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2f0h h ALA 130 CO 0.06 0.28 -0.28 0.37 0.00 0.00 0.00 179.25 179.68 2f0h h GLN 131 N 0.53 -0.53 -0.40 0.00 5.75 -1.28 -0.47 115.11 118.71 2f0h h GLN 131 Ca 0.12 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.74 2f0h h GLN 131 Cb 0.41 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 2f0h h GLN 131 CO 0.01 -0.36 0.28 0.00 -2.65 0.00 0.00 178.83 176.11 2f0h h ALA 132 N 0.09 2.18 -0.29 3.38 0.00 -1.19 -0.11 119.26 123.32 2f0h h ALA 132 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2f0h h ALA 132 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2f0h h ALA 132 CO -0.10 -0.28 -0.35 0.87 0.00 0.00 0.00 179.25 179.39 2f0h h LYS 133 N 0.15 0.75 -0.78 0.00 6.56 -0.52 -1.86 116.57 120.86 2f0h h LYS 133 Ca 0.18 -0.42 0.04 0.00 -1.06 0.00 0.00 60.65 59.40 2f0h h LYS 133 Cb 0.54 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.18 2f0h h LYS 133 CO -0.02 1.04 0.48 0.87 -2.06 0.00 0.00 179.45 179.76 2f0h h LYS 134 N 0.50 0.89 -0.02 3.15 1.57 0.27 -1.98 116.57 120.94 2f0h h LYS 134 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2f0h h LYS 134 Cb 0.94 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2f0h h LYS 134 CO 0.08 0.59 0.00 0.39 -0.57 0.00 0.00 179.45 179.94 2f0h n GLU 135 N -4.64 1.31 -3.83 3.15 1.02 -0.19 -4.91 120.64 112.55 2f0h n GLU 135 Ca 0.10 -0.46 -0.27 0.00 -0.02 0.00 0.00 57.16 56.51 2f0h n GLU 135 Cb 0.13 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 2f0h n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2f0h n LYS 136 N -0.42 -5.66 -2.89 3.49 4.76 -0.74 -4.94 118.16 111.76 2f0h n LYS 136 Ca 0.20 0.63 -0.40 0.00 -2.87 0.00 0.00 58.31 55.87 2f0h n LYS 136 Cb 0.21 -5.46 -0.06 0.00 -1.84 0.00 0.00 35.03 27.88 2f0h n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2f0h s LEU 137 N -7.14 4.57 0.00 -0.35 1.43 -0.93 -3.34 118.68 112.91 2f0h s LEU 137 Ca 0.50 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 2f0h s LEU 137 Cb -0.25 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2f0h s LEU 137 CO 0.82 0.12 0.00 0.59 0.23 0.00 0.00 176.35 178.10 2f0h n ASN 138 N 1.99 0.00 -0.27 2.29 3.02 -1.26 0.05 115.26 121.08 2f0h n ASN 138 Ca -0.03 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.72 2f0h n ASN 138 Cb 0.49 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 40.16 2f0h n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2f0h h ILE 139 N 0.00 0.65 -0.17 2.41 5.03 -1.69 -2.44 117.51 121.29 2f0h h ILE 139 Ca 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 2f0h h ILE 139 Cb 0.00 0.19 0.00 0.00 -3.03 0.00 0.00 36.82 33.98 2f0h h ILE 139 CO 0.00 0.08 0.00 0.79 -0.68 0.00 0.00 178.15 178.34 2f0h n TRP 140 N -4.54 0.21 1.80 1.37 5.03 0.11 -5.15 117.44 116.27 2f0h n TRP 140 Ca 0.21 -0.11 0.15 0.00 3.03 0.00 0.00 57.50 60.78 2f0h n TRP 140 Cb 0.74 0.00 0.78 0.00 -1.03 0.00 0.00 31.31 31.80 2f0h n TRP 140 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53