#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0i n LEU 7 N 0.00 4.47 -4.01 -0.35 4.77 -1.26 -5.01 117.00 115.61 2f0i n LEU 7 Ca 0.00 0.97 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 2f0i n LEU 7 Cb 0.00 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.47 2f0i n LEU 7 CO 0.00 -1.00 -0.40 -1.38 -1.33 0.00 0.00 177.39 173.28 2f0i s HIS 8 N -1.32 0.54 0.27 -1.77 -3.43 -1.26 -5.12 115.29 103.20 2f0i s HIS 8 Ca 0.70 -0.30 -0.19 0.00 -0.80 0.00 0.00 55.06 54.46 2f0i s HIS 8 Cb -0.45 -0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 30.28 2f0i s HIS 8 CO 0.51 -0.05 0.77 0.15 -2.00 0.00 0.00 174.74 174.12 2f0i s LYS 9 N -0.88 4.23 0.05 -0.38 1.02 -1.26 -4.37 119.74 118.15 2f0i s LYS 9 Ca -0.05 0.90 0.05 0.00 0.02 0.00 0.00 55.97 56.89 2f0i s LYS 9 Cb -0.06 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2f0i s LYS 9 CO 0.00 0.30 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.38 2f0i s GLU 10 N -2.29 0.90 0.65 1.68 2.02 0.48 -4.93 118.70 117.20 2f0i s GLU 10 Ca 0.48 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 2f0i s GLU 10 Cb -0.15 -0.90 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 2f0i s GLU 10 CO 0.20 0.22 1.07 -1.25 0.02 0.00 0.00 175.26 175.52 2f0i s PRO 11 N -1.29 3.04 0.16 0.39 0.04 -1.26 0.43 135.00 136.51 2f0i s PRO 11 Ca 0.01 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 2f0i s PRO 11 Cb -0.08 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2f0i s PRO 11 CO 0.01 -1.03 0.40 0.00 0.04 0.00 0.00 177.00 176.42 2f0i s ALA 12 N -2.63 -0.63 -0.02 8.56 0.00 -0.93 -4.64 121.76 121.47 2f0i s ALA 12 Ca 0.62 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.25 2f0i s ALA 12 Cb -0.16 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2f0i s ALA 12 CO 0.44 -0.70 -0.20 0.99 0.00 0.00 0.00 175.76 176.29 2f0i s THR 13 N -3.88 1.62 0.31 0.00 2.01 -0.66 -4.27 115.64 110.77 2f0i s THR 13 Ca 0.09 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 2f0i s THR 13 Cb 0.01 -1.35 -0.10 0.00 0.01 0.00 0.00 72.50 71.07 2f0i s THR 13 CO -0.05 0.46 1.27 -0.22 -0.69 0.00 0.00 174.62 175.39 2f0i s LEU 14 N -0.36 4.45 -0.05 4.42 2.96 -1.26 0.17 118.68 129.01 2f0i s LEU 14 Ca 0.05 2.59 -0.09 0.00 -0.22 0.00 0.00 54.13 56.46 2f0i s LEU 14 Cb -0.09 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2f0i s LEU 14 CO 0.00 -0.46 -0.17 -0.38 -1.32 0.00 0.00 176.35 174.01 2f0i n ILE 15 N 1.04 1.29 -3.66 6.68 5.41 -0.45 -4.73 119.36 124.94 2f0i n ILE 15 Ca 0.00 0.22 -0.11 0.00 1.00 0.00 0.00 62.75 63.86 2f0i n ILE 15 Cb 0.42 -1.93 -0.08 0.00 -0.71 0.00 0.00 39.64 37.34 2f0i n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2f0i s LYS 16 N -2.42 0.70 0.15 0.38 2.20 -0.67 -5.02 119.74 115.05 2f0i s LYS 16 Ca -0.15 0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 2f0i s LYS 16 Cb 0.03 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.53 2f0i s LYS 16 CO 0.22 -0.11 1.01 0.00 -0.36 0.00 0.00 175.35 176.10 2f0i s ALA 17 N 0.85 3.30 -0.16 3.13 0.00 -1.26 -0.53 121.76 127.09 2f0i s ALA 17 Ca -0.04 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.65 2f0i s ALA 17 Cb -0.05 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 2f0i s ALA 17 CO -0.07 -0.07 -0.07 -0.89 0.00 0.00 0.00 175.76 174.67 2f0i n ILE 18 N 2.50 1.00 -3.83 0.00 5.41 0.11 -4.92 119.36 119.63 2f0i n ILE 18 Ca 0.02 -0.49 -0.06 0.00 1.00 0.00 0.00 62.75 63.22 2f0i n ILE 18 Cb 0.48 -0.91 0.01 0.00 -0.71 0.00 0.00 39.64 38.51 2f0i n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2f0i s ASP 19 N -5.29 -0.06 0.52 4.38 -1.08 -0.77 -4.96 116.67 109.41 2f0i s ASP 19 Ca -0.16 -0.83 0.20 0.00 -0.52 0.00 0.00 52.55 51.23 2f0i s ASP 19 Cb 0.05 0.68 1.34 0.00 -1.46 0.00 0.00 42.92 43.54 2f0i s ASP 19 CO 0.49 -1.33 2.12 1.23 0.52 0.00 0.00 175.17 178.19 2f0i h GLY 20 N 2.00 0.00 -0.40 2.66 0.00 -1.82 -3.10 103.07 102.42 2f0i h GLY 20 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2f0i h GLY 20 CO 0.35 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.98 2f0i n ASP 21 N -4.20 1.63 -3.88 0.19 5.75 -1.26 -4.78 116.55 110.00 2f0i n ASP 21 Ca -0.03 -1.39 -0.19 0.00 -0.01 0.00 0.00 54.79 53.17 2f0i n ASP 21 Cb 0.15 -0.02 -0.16 0.00 -1.03 0.00 0.00 41.12 40.06 2f0i n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2f0i s THR 22 N -0.53 0.43 0.01 2.12 2.01 -1.17 -0.75 115.64 117.75 2f0i s THR 22 Ca 0.06 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2f0i s THR 22 Cb 0.04 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 2f0i s THR 22 CO 0.06 0.20 -0.06 0.54 -0.69 0.00 0.00 174.62 174.67 2f0i s VAL 23 N 0.88 0.43 -0.20 3.82 0.11 -0.62 -0.71 120.40 124.11 2f0i s VAL 23 Ca -0.11 -0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 58.41 2f0i s VAL 23 Cb -0.14 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2f0i s VAL 23 CO -0.00 0.02 0.34 -0.75 -3.33 0.00 0.00 175.10 171.37 2f0i s LYS 24 N -0.41 4.16 0.11 1.54 2.20 0.31 -0.21 119.74 127.44 2f0i s LYS 24 Ca -0.00 0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.75 2f0i s LYS 24 Cb -0.04 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2f0i s LYS 24 CO -0.00 0.02 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.37 2f0i s LEU 25 N 1.14 2.39 -0.33 5.43 1.43 0.15 -1.34 118.68 127.55 2f0i s LEU 25 Ca 0.16 -0.79 -0.21 0.00 -1.03 0.00 0.00 54.13 52.26 2f0i s LEU 25 Cb -0.14 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 2f0i s LEU 25 CO 0.07 -0.18 0.69 -0.32 0.23 0.00 0.00 176.35 176.84 2f0i s MET 26 N -2.61 3.81 -0.11 1.70 -2.45 0.13 -0.20 119.30 119.57 2f0i s MET 26 Ca 0.06 0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.79 2f0i s MET 26 Cb -0.05 -3.77 0.02 0.00 1.25 0.00 0.00 34.83 32.28 2f0i s MET 26 CO 0.02 -0.69 -0.12 -0.47 1.05 0.00 0.00 175.02 174.80 2f0i s TYR 27 N 2.79 1.80 -1.48 4.11 5.04 -0.34 -1.65 117.35 127.61 2f0i s TYR 27 Ca 0.27 -0.88 -0.05 0.00 -2.44 0.00 0.00 57.07 53.98 2f0i s TYR 27 Cb -0.14 -1.35 0.01 0.00 0.35 0.00 0.00 41.96 40.82 2f0i s TYR 27 CO 0.14 -0.50 0.16 1.63 -1.34 0.00 0.00 175.55 175.64 2f0i n LYS 28 N 4.48 -1.18 -0.74 4.97 5.02 -1.26 -1.09 118.16 128.36 2f0i n LYS 28 Ca -0.17 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2f0i n LYS 28 Cb 0.51 -3.58 0.00 0.00 -0.02 0.00 0.00 35.03 31.94 2f0i n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f0i n GLY 29 N -2.43 1.41 3.47 0.72 0.00 -1.26 -5.02 105.19 102.09 2f0i n GLY 29 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2f0i n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f0i s GLN 30 N -0.04 3.43 0.24 1.61 -1.52 -0.25 -5.09 119.66 118.04 2f0i s GLN 30 Ca 0.00 -0.57 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 2f0i s GLN 30 Cb 0.00 -2.77 -0.10 0.00 -0.22 0.00 0.00 33.01 29.92 2f0i s GLN 30 CO 0.00 0.31 1.38 -2.14 -0.25 0.00 0.00 175.29 174.59 2f0i s PRO 31 N 0.16 4.32 0.00 2.91 0.02 -1.26 -1.20 135.00 139.94 2f0i s PRO 31 Ca -0.03 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 2f0i s PRO 31 Cb -0.14 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 2f0i s PRO 31 CO 0.04 -0.34 0.01 -1.64 -0.33 0.00 0.00 177.00 174.74 2f0i s MET 32 N -0.38 0.16 -0.06 5.54 -1.94 0.73 -4.92 119.30 118.43 2f0i s MET 32 Ca 0.58 -0.22 -0.22 0.00 -1.71 0.00 0.00 55.69 54.12 2f0i s MET 32 Cb -0.40 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.46 2f0i s MET 32 CO 0.42 -0.03 0.64 0.99 -0.01 0.00 0.00 175.02 177.03 2f0i s THR 33 N -0.60 5.04 -0.09 2.05 2.01 -1.26 -0.67 115.64 122.12 2f0i s THR 33 Ca -0.07 1.32 0.02 0.00 0.31 0.00 0.00 61.69 63.27 2f0i s THR 33 Cb -0.04 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2f0i s THR 33 CO -0.00 0.30 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.74 2f0i s PHE 34 N 0.55 2.77 -0.14 4.92 0.40 0.71 -0.44 117.98 126.75 2f0i s PHE 34 Ca 0.34 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 56.15 2f0i s PHE 34 Cb -0.17 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 2f0i s PHE 34 CO 0.17 0.00 0.31 0.50 0.70 0.00 0.00 175.22 176.89 2f0i s ARG 35 N -0.20 4.17 -0.10 0.44 6.06 0.31 -1.59 118.95 128.03 2f0i s ARG 35 Ca 0.01 0.14 -0.30 0.00 -2.50 0.00 0.00 55.73 53.08 2f0i s ARG 35 Cb -0.13 -3.39 -0.03 0.00 0.06 0.00 0.00 34.95 31.46 2f0i s ARG 35 CO 0.03 0.32 1.39 -0.51 -2.50 0.00 0.00 175.30 174.04 2f0i s LEU 36 N 0.20 4.25 0.36 -0.88 1.43 0.07 -2.93 118.68 121.18 2f0i s LEU 36 Ca 0.18 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.92 2f0i s LEU 36 Cb -0.13 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.43 2f0i s LEU 36 CO 0.05 -0.79 1.53 -0.76 0.23 0.00 0.00 176.35 176.61 2f0i s LEU 37 N 3.39 4.32 0.00 1.79 1.43 -0.45 -3.63 118.68 125.53 2f0i s LEU 37 Ca 0.62 3.04 0.00 0.00 -1.03 0.00 0.00 54.13 56.76 2f0i s LEU 37 Cb -0.27 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2f0i s LEU 37 CO 0.21 -0.90 0.00 0.18 0.23 0.00 0.00 176.35 176.07 2f0i n LEU 38 N 0.93 0.17 -4.14 1.79 4.77 -1.26 -4.90 117.00 114.36 2f0i n LEU 38 Ca 0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 2f0i n LEU 38 Cb 0.39 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 2f0i n LEU 38 CO 0.64 -0.14 -0.47 0.68 -1.33 0.00 0.00 177.39 176.77 2f0i s VAL 39 N -2.49 1.15 -0.24 4.08 -7.23 -1.24 -0.32 120.40 114.11 2f0i s VAL 39 Ca 0.00 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2f0i s VAL 39 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 2f0i s VAL 39 CO 0.00 0.16 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.12 2f0i s ASP 40 N -0.78 4.50 0.23 4.85 1.01 0.16 -4.75 116.67 121.90 2f0i s ASP 40 Ca 0.04 -0.55 0.06 0.00 0.71 0.00 0.00 52.55 52.80 2f0i s ASP 40 Cb -0.07 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 2f0i s ASP 40 CO 0.00 -0.08 0.28 0.42 0.21 0.00 0.00 175.17 176.00 2f0i s THR 41 N 1.45 4.91 0.48 -1.27 -4.23 -1.26 -0.79 115.64 114.93 2f0i s THR 41 Ca 0.04 -1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 59.18 2f0i s THR 41 Cb -0.15 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 69.97 2f0i s THR 41 CO -0.02 -0.31 1.33 -2.84 -0.54 0.00 0.00 174.62 172.24 2f0i s PRO 42 N -3.82 3.54 0.21 3.99 0.02 -1.26 -4.96 135.00 132.72 2f0i s PRO 42 Ca 0.33 2.18 0.07 0.00 0.02 0.00 0.00 61.00 63.60 2f0i s PRO 42 Cb -0.09 -2.48 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 2f0i s PRO 42 CO 0.27 -0.85 0.11 -1.21 -0.33 0.00 0.00 177.00 174.99 2f0i s GLU 43 N -2.63 2.72 -0.09 5.54 2.02 -1.26 -4.35 118.70 120.65 2f0i s GLU 43 Ca 0.65 -1.05 0.19 0.00 0.02 0.00 0.00 54.97 54.78 2f0i s GLU 43 Cb -0.39 -2.49 -0.26 0.00 0.10 0.00 0.00 34.13 31.09 2f0i s GLU 43 CO 0.48 0.44 0.35 0.25 0.02 0.00 0.00 175.26 176.80 2f0i n THR 44 N -0.63 0.81 -2.90 3.63 -2.24 -1.25 -1.47 114.28 110.23 2f0i n THR 44 Ca -0.08 -0.69 -0.27 0.00 -2.27 0.00 0.00 64.05 60.74 2f0i n THR 44 Cb 0.56 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 2f0i n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2f0i n LYS 45 N -2.58 3.19 -2.87 -0.78 5.02 -1.19 -3.62 118.16 115.32 2f0i n LYS 45 Ca -0.18 -4.79 -0.40 0.00 -2.02 0.00 0.00 58.31 50.93 2f0i n LYS 45 Cb 0.88 -2.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 2f0i n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2f0i s HIS 46 N -3.45 3.92 0.21 2.13 2.46 -0.57 -4.97 115.29 115.02 2f0i s HIS 46 Ca 0.49 1.75 -0.14 0.00 0.47 0.00 0.00 55.06 57.62 2f0i s HIS 46 Cb 0.29 -2.87 0.23 0.00 -0.13 0.00 0.00 32.58 30.10 2f0i s HIS 46 CO -0.14 0.46 1.63 -1.35 -2.47 0.00 0.00 174.74 172.86 2f0i h PRO 47 N 4.42 -0.01 0.00 2.88 0.11 -1.98 -3.18 132.00 134.25 2f0i h PRO 47 Ca -0.46 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 2f0i h PRO 47 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2f0i h PRO 47 CO 0.67 -0.00 -1.83 1.63 -0.21 0.00 0.00 178.00 178.26 2f0i n LYS 48 N -5.43 0.45 -0.03 1.05 4.01 -1.26 -4.78 118.16 112.16 2f0i n LYS 48 Ca 0.07 0.19 -0.14 0.00 -0.51 0.00 0.00 58.31 57.92 2f0i n LYS 48 Cb 0.32 -1.26 -0.10 0.00 -0.51 0.00 0.00 35.03 33.49 2f0i n LYS 48 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2f0i h LYS 49 N -0.78 0.23 0.00 1.97 1.63 -2.00 -3.50 116.57 114.12 2f0i h LYS 49 Ca -0.41 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 2f0i h LYS 49 Cb 1.30 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2f0i h LYS 49 CO -0.25 0.84 0.00 0.41 -3.45 0.00 0.00 179.45 177.00 2f0i n GLY 50 N 0.71 1.11 3.26 5.01 0.00 -1.20 -4.86 105.19 109.23 2f0i n GLY 50 Ca -0.09 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.47 2f0i n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f0i s VAL 51 N 0.00 5.13 0.91 1.61 1.01 -1.24 -1.51 120.40 126.31 2f0i s VAL 51 Ca 0.00 -2.71 -0.13 0.00 0.00 0.00 0.00 61.98 59.14 2f0i s VAL 51 Cb 0.00 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.33 2f0i s VAL 51 CO 0.00 -1.00 1.18 -1.61 0.00 0.00 0.00 175.10 173.66 2f0i s GLU 52 N -0.05 1.14 -0.40 2.72 2.02 -0.54 -4.96 118.70 118.64 2f0i s GLU 52 Ca 0.19 0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.99 2f0i s GLU 52 Cb -0.12 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.26 2f0i s GLU 52 CO -0.08 -2.16 1.34 0.21 0.02 0.00 0.00 175.26 174.59 2f0i s LYS 53 N -5.48 3.67 0.00 1.61 2.47 -1.26 -2.17 119.74 118.59 2f0i s LYS 53 Ca 0.65 0.93 0.00 0.00 -1.56 0.00 0.00 55.97 55.99 2f0i s LYS 53 Cb -0.11 -3.97 0.00 0.00 -1.46 0.00 0.00 37.83 32.28 2f0i s LYS 53 CO 0.52 -1.44 0.00 0.66 0.16 0.00 0.00 175.35 175.25 2f0i n TYR 54 N 8.39 0.00 0.27 4.03 4.01 -1.26 -4.87 117.16 127.72 2f0i n TYR 54 Ca 0.15 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.73 2f0i n TYR 54 Cb 0.48 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.43 2f0i n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2f0i h GLY 55 N 0.00 -0.67 1.01 2.72 0.00 -1.63 0.72 103.07 105.23 2f0i h GLY 55 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 2f0i h GLY 55 CO 0.00 -0.24 0.53 -2.55 0.00 0.00 0.00 176.54 174.28 2f0i h PRO 56 N -0.64 1.18 -0.58 4.80 0.11 -1.87 -0.23 132.00 134.77 2f0i h PRO 56 Ca -0.06 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.89 2f0i h PRO 56 Cb 0.50 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2f0i h PRO 56 CO 0.09 0.82 0.12 0.93 -0.21 0.00 0.00 178.00 179.76 2f0i h GLU 57 N 1.20 0.94 -0.51 1.05 3.07 -1.88 0.44 114.58 118.89 2f0i h GLU 57 Ca 0.31 -0.24 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 2f0i h GLU 57 Cb -0.06 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 2f0i h GLU 57 CO -0.06 0.88 -0.15 0.00 -1.40 0.00 0.00 179.01 178.28 2f0i h ALA 58 N 1.02 0.75 -0.63 3.43 0.00 0.75 -0.97 119.26 123.61 2f0i h ALA 58 Ca 0.18 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2f0i h ALA 58 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2f0i h ALA 58 CO 0.01 0.67 0.08 1.03 0.00 0.00 0.00 179.25 181.04 2f0i h SER 59 N 0.88 0.99 0.28 0.00 0.87 -0.78 -1.40 113.55 114.40 2f0i h SER 59 Ca 0.13 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.32 2f0i h SER 59 Cb 0.72 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2f0i h SER 59 CO 0.06 1.00 -0.52 0.00 -0.53 0.00 0.00 176.83 176.84 2f0i h ALA 60 N 1.11 0.94 -0.07 6.23 0.00 0.14 -2.50 119.26 125.11 2f0i h ALA 60 Ca 0.19 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2f0i h ALA 60 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2f0i h ALA 60 CO 0.01 0.67 0.02 0.35 0.00 0.00 0.00 179.25 180.30 2f0i h PHE 61 N 0.21 0.12 -0.67 0.00 3.04 -0.72 -1.42 116.94 117.50 2f0i h PHE 61 Ca 0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2f0i h PHE 61 Cb 0.99 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 2f0i h PHE 61 CO 0.02 0.31 0.41 1.15 -2.02 0.00 0.00 178.31 178.18 2f0i h THR 62 N -0.10 1.19 0.21 4.41 2.02 -1.27 -1.56 112.91 117.81 2f0i h THR 62 Ca 0.02 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2f0i h THR 62 Cb 0.25 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2f0i h THR 62 CO 0.00 0.19 -0.14 0.50 0.37 0.00 0.00 175.52 176.44 2f0i h LYS 63 N 0.90 -0.34 -0.73 6.66 3.64 -1.39 -0.29 116.57 125.02 2f0i h LYS 63 Ca 0.24 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2f0i h LYS 63 Cb -0.05 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2f0i h LYS 63 CO -0.05 -0.23 0.46 0.87 -2.27 0.00 0.00 179.45 178.23 2f0i h LYS 64 N -0.35 0.85 -0.42 1.90 1.57 -1.14 0.46 116.57 119.43 2f0i h LYS 64 Ca -0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2f0i h LYS 64 Cb 0.31 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2f0i h LYS 64 CO 0.01 0.56 0.13 1.98 -0.57 0.00 0.00 179.45 181.57 2f0i h MET 65 N 0.88 0.65 0.00 3.15 4.05 -1.11 -0.06 114.93 122.49 2f0i h MET 65 Ca 0.30 -0.14 -0.14 0.00 -0.28 0.00 0.00 59.70 59.44 2f0i h MET 65 Cb 0.05 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2f0i h MET 65 CO -0.12 0.64 -0.75 -0.39 0.23 0.00 0.00 176.91 176.52 2f0i h VAL 66 N 0.54 0.99 -0.01 -5.77 -1.51 -0.66 -3.20 116.25 106.62 2f0i h VAL 66 Ca 0.14 -2.44 -0.17 0.00 -1.23 0.00 0.00 66.70 63.00 2f0i h VAL 66 Cb 0.26 2.46 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 2f0i h VAL 66 CO -0.00 0.56 -0.77 -0.33 -1.23 0.00 0.00 177.57 175.80 2f0i h GLU 67 N 0.00 0.09 -0.19 5.19 5.08 0.05 -3.23 114.58 121.57 2f0i h GLU 67 Ca -0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2f0i h GLU 67 Cb 1.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2f0i h GLU 67 CO 0.08 0.81 0.00 0.09 -1.00 0.00 0.00 179.01 178.99 2f0i n ASN 68 N -3.68 2.11 -4.82 1.42 3.02 -0.05 -4.94 115.26 108.33 2f0i n ASN 68 Ca -0.02 -1.77 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 2f0i n ASN 68 Cb 0.74 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.72 2f0i n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2f0i s ALA 69 N -1.77 3.06 -0.03 5.41 0.00 -1.21 -4.97 121.76 122.26 2f0i s ALA 69 Ca 0.34 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 2f0i s ALA 69 Cb 0.19 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.94 2f0i s ALA 69 CO 0.28 0.14 1.07 0.87 0.00 0.00 0.00 175.76 178.12 2f0i h LYS 70 N 2.01 0.28 -4.77 0.00 1.57 -1.92 -3.46 116.57 110.28 2f0i h LYS 70 Ca -0.49 -0.29 -0.56 0.00 -1.87 0.00 0.00 60.65 57.44 2f0i h LYS 70 Cb 1.18 0.08 -0.33 0.00 0.08 0.00 0.00 32.23 33.24 2f0i h LYS 70 CO 0.61 0.99 -0.83 0.15 -0.57 0.00 0.00 179.45 179.80 2f0i s LYS 71 N -3.19 2.10 -0.06 3.15 1.02 -1.26 -5.01 119.74 116.49 2f0i s LYS 71 Ca -0.15 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.30 2f0i s LYS 71 Cb 0.02 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 2f0i s LYS 71 CO 0.77 0.06 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.70 2f0i s LEU 72 N 0.61 3.28 0.04 3.17 1.43 -1.26 -0.09 118.68 125.86 2f0i s LEU 72 Ca -0.15 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2f0i s LEU 72 Cb -0.16 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2f0i s LEU 72 CO 0.05 0.35 -0.09 -1.61 0.23 0.00 0.00 176.35 175.28 2f0i s GLU 73 N -0.93 0.58 0.05 1.70 2.02 -0.06 -2.18 118.70 119.89 2f0i s GLU 73 Ca 0.13 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.42 2f0i s GLU 73 Cb -0.11 -0.40 -0.04 0.00 0.10 0.00 0.00 34.13 33.69 2f0i s GLU 73 CO 0.03 0.08 -0.11 0.14 0.02 0.00 0.00 175.26 175.42 2f0i s VAL 74 N -1.30 3.32 -0.23 2.63 -7.23 0.17 -0.95 120.40 116.81 2f0i s VAL 74 Ca -0.08 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 2f0i s VAL 74 Cb -0.10 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.43 2f0i s VAL 74 CO 0.01 0.26 0.04 -0.70 -0.31 0.00 0.00 175.10 174.40 2f0i s GLU 75 N -1.76 0.78 0.53 4.82 2.12 0.09 -0.39 118.70 124.90 2f0i s GLU 75 Ca 0.18 -0.68 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 2f0i s GLU 75 Cb -0.11 -2.11 -0.06 0.00 0.26 0.00 0.00 34.13 32.10 2f0i s GLU 75 CO 0.10 -0.74 1.06 -0.06 -0.54 0.00 0.00 175.26 175.07 2f0i s PHE 76 N 1.74 2.95 0.00 5.30 0.08 -1.26 -0.71 117.98 126.08 2f0i s PHE 76 Ca 0.02 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.62 2f0i s PHE 76 Cb -0.17 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 2f0i s PHE 76 CO -0.13 -1.03 0.00 -3.47 -0.10 0.00 0.00 175.22 170.49 2f0i n ASP 77 N -1.38 0.00 -0.22 1.36 -0.08 -1.26 -4.67 116.55 110.29 2f0i n ASP 77 Ca 0.09 -0.62 0.13 0.00 -1.51 0.00 0.00 54.79 52.88 2f0i n ASP 77 Cb 0.52 0.00 0.33 0.00 2.34 0.00 0.00 41.12 44.32 2f0i n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2f0i n LYS 78 N -0.62 0.73 0.00 -0.67 2.85 -1.26 -4.92 118.16 114.27 2f0i n LYS 78 Ca 0.00 -0.45 0.00 0.00 -1.05 0.00 0.00 58.31 56.81 2f0i n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 2f0i n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2f0i n GLY 79 N 1.37 2.35 3.71 2.58 0.00 -1.26 -4.97 105.19 108.97 2f0i n GLY 79 Ca 0.11 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2f0i n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f0i n GLN 80 N 0.00 2.27 0.00 1.61 3.00 -1.26 -4.92 117.38 118.07 2f0i n GLN 80 Ca 0.00 0.80 0.10 0.00 -0.01 0.00 0.00 57.00 57.89 2f0i n GLN 80 Cb 0.00 -2.43 0.01 0.00 0.00 0.00 0.00 30.24 27.82 2f0i n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2f0i n ARG 81 N 0.87 1.48 -4.11 -1.09 1.74 -1.26 -4.83 116.66 109.46 2f0i n ARG 81 Ca 0.05 -1.09 -0.13 0.00 -0.77 0.00 0.00 57.85 55.90 2f0i n ARG 81 Cb 0.36 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 2f0i n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2f0i s THR 82 N -2.22 0.70 0.27 0.55 -4.23 -1.26 -0.53 115.64 108.92 2f0i s THR 82 Ca 0.18 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 2f0i s THR 82 Cb 0.17 -0.98 0.05 0.00 1.34 0.00 0.00 72.50 73.07 2f0i s THR 82 CO 0.48 -0.49 0.38 -0.90 -0.54 0.00 0.00 174.62 173.55 2f0i n ASP 83 N 1.01 0.81 0.12 3.99 5.68 -0.01 -4.90 116.55 123.26 2f0i n ASP 83 Ca -0.20 -1.61 0.11 0.00 -0.50 0.00 0.00 54.79 52.59 2f0i n ASP 83 Cb 0.56 -0.22 0.48 0.00 -1.14 0.00 0.00 41.12 40.81 2f0i n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2f0i n LYS 84 N -1.63 0.16 -0.21 0.11 2.85 -1.26 -1.30 118.16 116.88 2f0i n LYS 84 Ca 0.07 0.46 0.11 0.00 -1.05 0.00 0.00 58.31 57.90 2f0i n LYS 84 Cb 0.26 -1.85 0.27 0.00 -0.65 0.00 0.00 35.03 33.06 2f0i n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2f0i n TYR 85 N -2.15 0.56 -0.72 5.58 4.01 -1.26 -4.90 117.16 118.27 2f0i n TYR 85 Ca 0.01 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2f0i n TYR 85 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2f0i n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f0i n GLY 86 N 1.41 0.76 3.73 2.72 0.00 -0.42 -5.03 105.19 108.37 2f0i n GLY 86 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2f0i n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f0i s ARG 87 N -0.28 4.62 0.32 1.61 0.52 -1.26 -4.74 118.95 119.74 2f0i s ARG 87 Ca 0.00 1.32 -0.28 0.00 -0.52 0.00 0.00 55.73 56.25 2f0i s ARG 87 Cb 0.00 -3.38 -0.13 0.00 0.52 0.00 0.00 34.95 31.96 2f0i s ARG 87 CO 0.00 0.21 1.24 0.41 0.02 0.00 0.00 175.30 177.17 2f0i n GLY 88 N 2.36 0.41 3.20 -3.53 0.00 0.41 -0.83 105.19 107.22 2f0i n GLY 88 Ca 0.01 0.33 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 2f0i n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f0i s LEU 89 N -0.60 4.41 0.18 0.99 1.43 0.30 -0.53 118.68 124.87 2f0i s LEU 89 Ca 0.57 -1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 2f0i s LEU 89 Cb -0.61 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2f0i s LEU 89 CO 0.61 -0.36 0.49 0.00 0.23 0.00 0.00 176.35 177.31 2f0i s ALA 90 N 1.29 -0.89 -0.07 4.21 0.00 -1.15 -4.37 121.76 120.78 2f0i s ALA 90 Ca -0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2f0i s ALA 90 Cb -0.21 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 2f0i s ALA 90 CO -0.00 -0.76 0.47 0.71 0.00 0.00 0.00 175.76 176.18 2f0i s TYR 91 N -3.86 3.60 -0.11 0.00 2.02 0.11 -1.34 117.35 117.76 2f0i s TYR 91 Ca 0.08 0.96 -0.02 0.00 -0.37 0.00 0.00 57.07 57.73 2f0i s TYR 91 Cb -0.00 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 2f0i s TYR 91 CO -0.05 0.33 -0.04 0.42 -1.57 0.00 0.00 175.55 174.64 2f0i s ILE 92 N 0.03 3.94 -0.11 2.71 -1.09 -1.26 -0.73 121.20 124.68 2f0i s ILE 92 Ca 0.26 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2f0i s ILE 92 Cb -0.16 -2.67 -0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2f0i s ILE 92 CO 0.12 0.55 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.87 2f0i s TYR 93 N -0.29 2.65 -0.27 3.97 1.51 -0.13 -0.76 117.35 124.02 2f0i s TYR 93 Ca 0.05 -0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 55.16 2f0i s TYR 93 Cb -0.12 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 2f0i s TYR 93 CO 0.02 -0.35 -0.00 0.00 -1.11 0.00 0.00 175.55 174.11 2f0i s ALA 94 N 0.35 2.85 -1.48 3.71 0.00 -0.36 -0.88 121.76 125.95 2f0i s ALA 94 Ca -0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 2f0i s ALA 94 Cb -0.17 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2f0i s ALA 94 CO 0.08 -0.92 0.15 -0.25 0.00 0.00 0.00 175.76 174.83 2f0i n ASP 95 N 4.74 -0.05 0.00 0.00 8.00 0.88 -1.01 116.55 129.10 2f0i n ASP 95 Ca -0.15 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2f0i n ASP 95 Cb 0.47 -1.73 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2f0i n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f0i n GLY 96 N -2.45 2.56 3.63 0.44 0.00 -1.26 -5.00 105.19 103.10 2f0i n GLY 96 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2f0i n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f0i s LYS 97 N -0.18 4.00 -0.12 1.61 1.02 -0.18 -5.04 119.74 120.85 2f0i s LYS 97 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 2f0i s LYS 97 Cb 0.00 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 2f0i s LYS 97 CO 0.00 0.08 1.48 1.41 -0.92 0.00 0.00 175.35 177.40 2f0i s MET 98 N 0.98 4.16 0.32 1.68 -2.45 -1.26 -1.22 119.30 121.50 2f0i s MET 98 Ca 0.06 1.89 0.01 0.00 -1.25 0.00 0.00 55.69 56.41 2f0i s MET 98 Cb -0.13 -3.90 0.54 0.00 1.25 0.00 0.00 34.83 32.59 2f0i s MET 98 CO 0.04 -0.84 1.94 0.28 1.05 0.00 0.00 175.02 177.48 2f0i h VAL 99 N 5.61 1.19 -0.69 10.11 2.07 -1.31 -1.49 116.25 131.73 2f0i h VAL 99 Ca -0.33 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2f0i h VAL 99 Cb 1.14 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2f0i h VAL 99 CO 0.97 0.22 0.37 0.78 0.02 0.00 0.00 177.57 179.93 2f0i h ASN 100 N 0.83 0.87 -0.32 0.57 4.21 -1.90 -1.90 115.58 117.94 2f0i h ASN 100 Ca 0.21 -0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.50 2f0i h ASN 100 Cb 0.06 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 2f0i h ASN 100 CO -0.03 0.72 -0.25 -0.08 -1.29 0.00 0.00 177.43 176.50 2f0i h GLU 101 N 0.95 0.73 -0.86 0.81 4.22 -1.85 -3.07 114.58 115.52 2f0i h GLU 101 Ca 0.24 -0.36 0.08 0.00 0.08 0.00 0.00 59.36 59.40 2f0i h GLU 101 Cb 0.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2f0i h GLU 101 CO -0.04 0.98 0.52 0.00 -2.18 0.00 0.00 179.01 178.29 2f0i h ALA 102 N 0.74 1.22 -0.67 2.92 0.00 -0.99 0.27 119.26 122.74 2f0i h ALA 102 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2f0i h ALA 102 Cb 0.81 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2f0i h ALA 102 CO 0.07 0.19 0.42 -0.07 0.00 0.00 0.00 179.25 179.86 2f0i h LEU 103 N 0.89 0.79 -0.22 0.00 3.38 -1.31 -1.99 115.31 116.85 2f0i h LEU 103 Ca 0.40 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.18 2f0i h LEU 103 Cb 0.30 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2f0i h LEU 103 CO -0.22 0.60 -0.43 0.58 0.09 0.00 0.00 178.44 179.07 2f0i h VAL 104 N 0.91 1.31 -0.01 1.22 2.07 -1.29 0.39 116.25 120.85 2f0i h VAL 104 Ca 0.24 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 2f0i h VAL 104 Cb -0.06 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2f0i h VAL 104 CO -0.05 0.52 0.01 -0.09 0.02 0.00 0.00 177.57 177.97 2f0i h ARG 105 N 0.38 0.02 -0.12 1.57 9.65 -0.23 -1.65 114.38 124.00 2f0i h ARG 105 Ca 0.01 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2f0i h ARG 105 Cb 1.03 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2f0i h ARG 105 CO 0.10 0.02 0.00 1.04 2.80 0.00 0.00 179.97 183.92 2f0i n GLN 106 N -4.53 1.62 -1.91 0.20 1.13 -0.77 -4.36 117.38 108.75 2f0i n GLN 106 Ca -0.03 -0.92 -0.12 0.00 -1.94 0.00 0.00 57.00 53.99 2f0i n GLN 106 Cb 0.09 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.02 2f0i n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f0i n GLY 107 N 1.09 0.39 0.56 1.08 0.00 -0.62 -4.41 105.19 103.28 2f0i n GLY 107 Ca 0.16 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2f0i n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f0i n LEU 108 N -1.56 2.61 -3.61 0.99 4.77 0.11 -1.22 117.00 119.09 2f0i n LEU 108 Ca -0.13 -1.73 -0.14 0.00 -0.03 0.00 0.00 56.01 53.98 2f0i n LEU 108 Cb 0.53 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2f0i n LEU 108 CO 0.17 0.62 0.25 0.00 -1.33 0.00 0.00 177.39 177.10 2f0i s ALA 109 N -0.97 -1.27 0.22 -1.18 0.00 -1.14 -4.31 121.76 113.11 2f0i s ALA 109 Ca 0.19 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.83 2f0i s ALA 109 Cb 0.11 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2f0i s ALA 109 CO 0.15 -0.44 0.22 0.15 0.00 0.00 0.00 175.76 175.83 2f0i s LYS 110 N -2.11 3.06 -0.04 0.00 1.02 0.02 -4.50 119.74 117.20 2f0i s LYS 110 Ca -0.07 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 2f0i s LYS 110 Cb -0.01 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2f0i s LYS 110 CO 0.01 0.44 1.27 0.08 -0.92 0.00 0.00 175.35 176.23 2f0i s VAL 111 N -1.96 4.07 1.08 3.17 1.01 -1.26 -0.67 120.40 125.84 2f0i s VAL 111 Ca 0.33 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 2f0i s VAL 111 Cb -0.09 -3.91 0.23 0.00 0.00 0.00 0.00 36.38 32.61 2f0i s VAL 111 CO 0.26 -0.01 1.14 0.00 0.00 0.00 0.00 175.10 176.49 2f0i s ALA 112 N 2.31 1.04 0.09 5.51 0.00 0.56 -4.79 121.76 126.48 2f0i s ALA 112 Ca 0.59 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 2f0i s ALA 112 Cb -0.27 -2.95 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 2f0i s ALA 112 CO 0.23 -3.09 1.51 -0.47 0.00 0.00 0.00 175.76 173.94 2f0i s TYR 113 N -3.14 2.88 -0.04 0.00 6.14 -1.26 -4.93 117.35 116.99 2f0i s TYR 113 Ca 0.69 0.66 -0.06 0.00 0.64 0.00 0.00 57.07 59.00 2f0i s TYR 113 Cb -0.12 -3.82 -0.04 0.00 0.42 0.00 0.00 41.96 38.40 2f0i s TYR 113 CO 0.56 -3.09 0.20 0.08 0.64 0.00 0.00 175.55 173.93 2f0i s VAL 114 N 1.82 5.41 -0.23 3.14 1.01 -1.26 -4.99 120.40 125.30 2f0i s VAL 114 Ca 0.69 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.78 2f0i s VAL 114 Cb -0.38 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2f0i s VAL 114 CO 0.30 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.41 2f0i s TYR 115 N -1.20 2.99 0.60 5.22 2.02 -1.26 -5.08 117.35 120.63 2f0i s TYR 115 Ca 0.23 -2.03 -0.19 0.00 -0.37 0.00 0.00 57.07 54.70 2f0i s TYR 115 Cb -0.13 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 2f0i s TYR 115 CO 0.13 -0.84 1.25 0.15 -1.57 0.00 0.00 175.55 174.66 2f0i s LYS 116 N 1.20 2.91 -0.20 -0.62 1.02 -1.26 0.53 119.74 123.32 2f0i s LYS 116 Ca -0.04 1.94 0.09 0.00 0.02 0.00 0.00 55.97 57.98 2f0i s LYS 116 Cb -0.18 -1.96 0.58 0.00 -0.52 0.00 0.00 37.83 35.75 2f0i s LYS 116 CO -0.08 -1.29 1.46 -0.35 -0.92 0.00 0.00 175.35 174.17 2f0i n PRO 117 N -1.56 3.52 -2.43 -1.68 -0.04 -1.26 -4.99 135.00 126.56 2f0i n PRO 117 Ca 0.14 -2.28 -0.43 0.00 -0.04 0.00 0.00 63.50 60.89 2f0i n PRO 117 Cb 0.49 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2f0i n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2f0i n ASN 118 N 0.26 5.19 -0.62 3.54 3.02 0.19 -4.25 115.26 122.59 2f0i n ASN 118 Ca 0.24 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 2f0i n ASN 118 Cb 1.02 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2f0i n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2f0i n ASN 119 N 3.81 0.09 -0.13 6.41 6.94 -1.26 -4.45 115.26 126.66 2f0i n ASN 119 Ca 0.38 -1.87 -0.04 0.00 -0.02 0.00 0.00 54.58 53.03 2f0i n ASN 119 Cb 0.36 -0.18 0.04 0.00 -2.36 0.00 0.00 39.78 37.65 2f0i n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2f0i h THR 120 N 6.71 0.75 -0.59 5.53 2.02 -1.97 -1.48 112.91 123.89 2f0i h THR 120 Ca -0.03 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 2f0i h THR 120 Cb 1.40 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 68.25 2f0i h THR 120 CO 0.01 0.04 0.20 1.41 0.37 0.00 0.00 175.52 177.54 2f0i n HIS 121 N -5.12 1.97 -0.06 3.16 8.25 -1.26 -4.56 115.22 117.60 2f0i n HIS 121 Ca 0.04 -0.96 -0.10 0.00 -0.26 0.00 0.00 57.72 56.44 2f0i n HIS 121 Cb 0.21 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 2f0i n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2f0i h GLU 122 N 2.27 0.31 -0.43 -0.41 4.81 -1.65 -2.38 114.58 117.11 2f0i h GLU 122 Ca 0.20 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2f0i h GLU 122 Cb 2.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.29 2f0i h GLU 122 CO 0.58 0.22 0.04 1.96 -0.73 0.00 0.00 179.01 181.08 2f0i h GLN 123 N 0.31 0.73 -0.61 1.92 1.08 -1.82 0.05 115.11 116.78 2f0i h GLN 123 Ca 0.09 -0.21 0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2f0i h GLN 123 Cb -0.02 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.26 2f0i h GLN 123 CO -0.02 0.78 0.26 1.25 -0.95 0.00 0.00 178.83 180.15 2f0i h HIS 124 N 0.58 0.46 -0.49 2.96 2.76 -1.88 0.84 115.15 120.38 2f0i h HIS 124 Ca 0.13 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 2f0i h HIS 124 Cb 0.43 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 2f0i h HIS 124 CO 0.03 0.15 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.70 2f0i h LEU 125 N 0.47 0.89 -1.37 0.26 3.38 -1.16 -1.91 115.31 115.87 2f0i h LEU 125 Ca 0.30 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2f0i h LEU 125 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2f0i h LEU 125 CO -0.27 1.00 -0.24 0.03 0.09 0.00 0.00 178.44 179.06 2f0i h ARG 126 N 0.75 0.12 -0.49 1.13 3.08 -0.04 0.17 114.38 119.11 2f0i h ARG 126 Ca 0.13 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 2f0i h ARG 126 Cb 0.57 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2f0i h ARG 126 CO 0.03 0.36 -0.15 0.87 -1.07 0.00 0.00 179.97 180.01 2f0i h LYS 127 N 0.11 0.96 -0.04 0.04 1.57 -0.54 -1.15 116.57 117.52 2f0i h LYS 127 Ca 0.02 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 2f0i h LYS 127 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2f0i h LYS 127 CO 0.03 1.05 -0.45 0.77 -0.57 0.00 0.00 179.45 180.28 2f0i h SER 128 N 0.81 0.10 -0.51 0.86 0.02 -0.51 -2.62 113.55 111.71 2f0i h SER 128 Ca 0.12 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2f0i h SER 128 Cb 0.72 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2f0i h SER 128 CO 0.05 0.54 -0.17 -0.08 -1.14 0.00 0.00 176.83 176.03 2f0i h GLU 129 N 0.08 1.02 -0.97 3.45 4.81 -0.44 -0.69 114.58 121.85 2f0i h GLU 129 Ca 0.00 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 2f0i h GLU 129 Cb 0.83 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 2f0i h GLU 129 CO 0.06 1.10 0.64 0.00 -0.73 0.00 0.00 179.01 180.08 2f0i h ALA 130 N 0.89 1.25 -0.10 2.92 0.00 -0.99 -1.38 119.26 121.85 2f0i h ALA 130 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2f0i h ALA 130 Cb 0.75 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2f0i h ALA 130 CO 0.06 0.58 0.04 0.37 0.00 0.00 0.00 179.25 180.30 2f0i h GLN 131 N 1.28 0.15 -0.20 0.00 5.75 -1.25 0.12 115.11 120.96 2f0i h GLN 131 Ca 0.37 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 2f0i h GLN 131 Cb -0.09 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 2f0i h GLN 131 CO -0.10 0.27 0.01 0.00 -2.65 0.00 0.00 178.83 176.36 2f0i h ALA 132 N 0.88 1.65 -0.16 3.38 0.00 -0.86 0.34 119.26 124.48 2f0i h ALA 132 Ca 0.03 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2f0i h ALA 132 Cb 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2f0i h ALA 132 CO -0.00 0.27 -0.74 0.87 0.00 0.00 0.00 179.25 179.64 2f0i h LYS 133 N 0.29 0.76 0.00 0.00 1.57 -1.01 -0.19 116.57 118.00 2f0i h LYS 133 Ca 0.07 -0.60 -0.08 0.00 -1.87 0.00 0.00 60.65 58.17 2f0i h LYS 133 Cb 0.18 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2f0i h LYS 133 CO 0.00 1.22 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.51 2f0i h LYS 134 N 0.53 0.00 -0.03 3.15 3.64 0.05 -0.32 116.57 123.59 2f0i h LYS 134 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2f0i h LYS 134 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2f0i h LYS 134 CO 0.15 0.37 0.00 0.39 -2.27 0.00 0.00 179.45 178.09 2f0i n GLU 135 N -4.09 1.30 -3.99 1.90 1.02 0.11 -4.95 120.64 111.95 2f0i n GLU 135 Ca -0.02 -0.44 -0.29 0.00 -0.02 0.00 0.00 57.16 56.38 2f0i n GLU 135 Cb 0.41 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2f0i n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2f0i n LYS 136 N -0.42 -4.06 -2.92 3.49 5.02 -0.13 -4.94 118.16 114.20 2f0i n LYS 136 Ca 0.19 0.47 -0.40 0.00 -2.02 0.00 0.00 58.31 56.55 2f0i n LYS 136 Cb 0.20 -5.03 -0.05 0.00 -0.02 0.00 0.00 35.03 30.13 2f0i n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2f0i s LEU 137 N -7.10 4.43 0.00 -0.35 1.43 -0.63 -2.95 118.68 113.50 2f0i s LEU 137 Ca 0.39 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2f0i s LEU 137 Cb -0.21 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2f0i s LEU 137 CO 0.87 -0.04 0.00 0.59 0.23 0.00 0.00 176.35 178.00 2f0i n ASN 138 N 3.03 0.00 -0.39 2.29 3.02 -1.26 0.15 115.26 122.10 2f0i n ASN 138 Ca -0.01 0.00 0.34 0.00 -0.03 0.00 0.00 54.58 54.89 2f0i n ASN 138 Cb 0.50 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.35 2f0i n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2f0i h ILE 139 N 0.00 0.35 -0.55 2.41 5.03 -1.47 -2.05 117.51 121.23 2f0i h ILE 139 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 2f0i h ILE 139 Cb 0.00 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 34.01 2f0i h ILE 139 CO 0.00 0.02 0.00 0.79 -0.68 0.00 0.00 178.15 178.28 2f0i n TRP 140 N -4.35 0.73 1.29 1.37 7.02 0.12 -5.13 117.44 118.49 2f0i n TRP 140 Ca 0.29 -0.37 0.13 0.00 -1.02 0.00 0.00 57.50 56.54 2f0i n TRP 140 Cb 1.27 0.00 0.34 0.00 -2.42 0.00 0.00 31.31 30.50 2f0i n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54