#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0u n LEU 7 N 0.00 3.40 -4.00 -0.35 4.77 -1.26 -5.03 117.00 114.53 2f0u n LEU 7 Ca 0.00 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 2f0u n LEU 7 Cb 0.00 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 39.54 2f0u n LEU 7 CO 0.00 -2.12 -0.36 -1.38 -1.33 0.00 0.00 177.39 172.20 2f0u s HIS 8 N -2.24 0.31 0.08 -1.77 -3.43 -1.26 -5.12 115.29 101.85 2f0u s HIS 8 Ca 0.70 -0.60 -0.17 0.00 -0.80 0.00 0.00 55.06 54.18 2f0u s HIS 8 Cb -0.28 -0.22 -0.07 0.00 -1.43 0.00 0.00 32.58 30.59 2f0u s HIS 8 CO 0.55 -0.21 0.53 0.15 -2.00 0.00 0.00 174.74 173.76 2f0u s LYS 9 N -1.81 4.09 0.10 -0.38 1.02 -1.26 -4.34 119.74 117.16 2f0u s LYS 9 Ca -0.13 0.62 0.09 0.00 0.02 0.00 0.00 55.97 56.57 2f0u s LYS 9 Cb -0.07 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2f0u s LYS 9 CO -0.02 0.61 -0.22 -1.21 -0.92 0.00 0.00 175.35 173.59 2f0u s GLU 10 N -1.32 1.20 0.53 1.68 2.02 0.16 -4.91 118.70 118.06 2f0u s GLU 10 Ca 0.30 -1.16 -0.19 0.00 0.02 0.00 0.00 54.97 53.94 2f0u s GLU 10 Cb -0.18 -1.49 -0.07 0.00 0.10 0.00 0.00 34.13 32.50 2f0u s GLU 10 CO 0.18 0.35 1.05 -1.25 0.02 0.00 0.00 175.26 175.61 2f0u s PRO 11 N -1.83 3.61 0.22 0.39 0.05 -1.26 0.32 135.00 136.50 2f0u s PRO 11 Ca 0.08 1.33 -0.13 0.00 0.05 0.00 0.00 61.00 62.33 2f0u s PRO 11 Cb -0.10 -2.07 -0.00 0.00 0.05 0.00 0.00 34.50 32.38 2f0u s PRO 11 CO 0.04 -0.59 0.44 0.00 0.05 0.00 0.00 177.00 176.94 2f0u s ALA 12 N -2.12 -0.28 -0.09 8.56 0.00 -0.77 -4.67 121.76 122.38 2f0u s ALA 12 Ca 0.66 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2f0u s ALA 12 Cb -0.17 1.00 0.01 0.00 0.00 0.00 0.00 23.12 23.96 2f0u s ALA 12 CO 0.26 -0.80 -0.16 0.99 0.00 0.00 0.00 175.76 176.05 2f0u s THR 13 N -3.99 1.47 0.28 0.00 2.01 -0.67 -4.30 115.64 110.45 2f0u s THR 13 Ca 0.20 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 2f0u s THR 13 Cb 0.00 -1.33 -0.11 0.00 0.01 0.00 0.00 72.50 71.07 2f0u s THR 13 CO 0.05 0.43 1.59 -0.22 -0.69 0.00 0.00 174.62 175.79 2f0u s LEU 14 N 0.71 4.35 -0.05 4.42 2.96 -1.26 -0.88 118.68 128.93 2f0u s LEU 14 Ca -0.13 2.92 -0.07 0.00 -0.22 0.00 0.00 54.13 56.64 2f0u s LEU 14 Cb -0.16 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 2f0u s LEU 14 CO 0.03 -0.90 -0.13 -0.38 -1.32 0.00 0.00 176.35 173.65 2f0u n ILE 15 N 2.37 0.73 -3.69 6.68 5.41 -0.77 -4.82 119.36 125.27 2f0u n ILE 15 Ca 0.09 0.29 -0.14 0.00 1.00 0.00 0.00 62.75 63.99 2f0u n ILE 15 Cb 0.37 -1.75 -0.09 0.00 -0.71 0.00 0.00 39.64 37.46 2f0u n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2f0u s LYS 16 N -1.84 0.62 -0.01 0.38 2.20 -0.54 -5.01 119.74 115.53 2f0u s LYS 16 Ca -0.11 0.71 -0.24 0.00 -0.36 0.00 0.00 55.97 55.97 2f0u s LYS 16 Cb 0.01 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 2f0u s LYS 16 CO 0.16 -0.08 0.74 0.00 -0.36 0.00 0.00 175.35 175.81 2f0u s ALA 17 N 0.24 3.35 -0.17 3.13 0.00 -1.26 0.11 121.76 127.16 2f0u s ALA 17 Ca -0.00 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2f0u s ALA 17 Cb -0.04 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 2f0u s ALA 17 CO 0.01 -0.01 -0.12 -0.89 0.00 0.00 0.00 175.76 174.74 2f0u n ILE 18 N 3.27 1.00 -3.88 0.00 5.41 -0.05 -4.89 119.36 120.22 2f0u n ILE 18 Ca -0.02 -0.42 -0.11 0.00 1.00 0.00 0.00 62.75 63.21 2f0u n ILE 18 Cb 0.51 -1.05 -0.00 0.00 -0.71 0.00 0.00 39.64 38.38 2f0u n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2f0u n ASP 19 N -2.94 -1.63 -0.03 4.38 2.03 -0.72 -4.98 116.55 112.67 2f0u n ASP 19 Ca -0.30 -2.61 0.09 0.00 0.52 0.00 0.00 54.79 52.50 2f0u n ASP 19 Cb 0.85 2.85 0.49 0.00 -0.72 0.00 0.00 41.12 44.60 2f0u n ASP 19 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2f0u h GLY 20 N 1.80 0.51 -0.13 0.27 0.00 -1.83 -3.11 103.07 100.58 2f0u h GLY 20 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2f0u h GLY 20 CO 0.36 0.12 -0.07 2.09 0.00 0.00 0.00 176.54 179.05 2f0u n ASP 21 N -4.47 1.60 -3.77 0.19 5.68 -1.26 -4.76 116.55 109.76 2f0u n ASP 21 Ca 0.07 -2.27 -0.19 0.00 -0.50 0.00 0.00 54.79 51.90 2f0u n ASP 21 Cb 0.26 -0.18 -0.17 0.00 -1.14 0.00 0.00 41.12 39.89 2f0u n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2f0u s THR 22 N -1.42 0.16 0.01 2.12 2.01 -1.18 -0.92 115.64 116.42 2f0u s THR 22 Ca 0.12 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.34 2f0u s THR 22 Cb 0.10 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2f0u s THR 22 CO 0.01 0.19 -0.12 0.27 -0.69 0.00 0.00 174.62 174.27 2f0u s ILE 23 N 1.58 0.97 -0.15 1.82 -4.36 -0.50 -0.87 121.20 119.70 2f0u s ILE 23 Ca -0.02 -0.71 -0.17 0.00 -0.26 0.00 0.00 60.65 59.49 2f0u s ILE 23 Cb -0.13 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 2f0u s ILE 23 CO -0.03 0.13 0.45 -0.75 0.24 0.00 0.00 174.94 174.98 2f0u s LYS 24 N -0.65 4.28 0.28 0.37 2.47 0.30 -0.33 119.74 126.46 2f0u s LYS 24 Ca 0.03 0.36 0.02 0.00 -1.56 0.00 0.00 55.97 54.82 2f0u s LYS 24 Cb -0.06 -3.47 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 2f0u s LYS 24 CO 0.00 0.09 0.11 0.96 0.16 0.00 0.00 175.35 176.66 2f0u s ILE 25 N 0.88 0.57 -0.34 5.43 -4.36 0.03 -1.47 121.20 121.94 2f0u s ILE 25 Ca 0.23 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.52 2f0u s ILE 25 Cb -0.15 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 40.95 2f0u s ILE 25 CO 0.09 0.00 0.17 -0.32 0.24 0.00 0.00 174.94 175.12 2f0u s MET 26 N -3.97 3.09 -0.15 0.37 -2.45 -0.06 0.42 119.30 116.55 2f0u s MET 26 Ca 0.37 -0.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 2f0u s MET 26 Cb 0.07 -3.62 0.02 0.00 1.25 0.00 0.00 34.83 32.55 2f0u s MET 26 CO 0.15 -0.54 -0.13 -0.47 1.05 0.00 0.00 175.02 175.07 2f0u s TYR 27 N 1.58 2.13 -1.50 4.11 5.04 -0.05 -1.67 117.35 126.98 2f0u s TYR 27 Ca 0.03 -1.21 -0.13 0.00 -2.44 0.00 0.00 57.07 53.33 2f0u s TYR 27 Cb -0.18 -1.57 0.07 0.00 0.35 0.00 0.00 41.96 40.63 2f0u s TYR 27 CO 0.06 -0.66 0.97 1.63 -1.34 0.00 0.00 175.55 176.20 2f0u n LYS 28 N 4.78 -5.70 -0.95 4.97 5.02 -1.26 -1.13 118.16 123.89 2f0u n LYS 28 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2f0u n LYS 28 Cb 0.50 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 2f0u n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f0u n GLY 29 N -1.70 0.83 3.28 0.72 0.00 -1.26 -5.02 105.19 102.03 2f0u n GLY 29 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2f0u n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f0u s GLN 30 N -0.13 1.87 0.12 1.61 0.00 -0.29 -5.08 119.66 117.75 2f0u s GLN 30 Ca 0.00 -0.89 -0.31 0.00 -0.00 0.00 0.00 55.36 54.16 2f0u s GLN 30 Cb 0.00 -1.85 -0.08 0.00 0.00 0.00 0.00 33.01 31.08 2f0u s GLN 30 CO 0.00 0.50 1.37 -1.25 0.00 0.00 0.00 175.29 175.91 2f0u s PRO 31 N -0.70 4.33 0.04 9.60 0.04 -1.26 -0.87 135.00 146.18 2f0u s PRO 31 Ca 0.09 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2f0u s PRO 31 Cb -0.09 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 2f0u s PRO 31 CO -0.00 -0.41 -0.05 -1.64 0.04 0.00 0.00 177.00 174.93 2f0u s MET 32 N 1.01 0.45 -0.13 4.56 -1.94 0.17 -4.94 119.30 118.48 2f0u s MET 32 Ca 0.64 -0.76 -0.18 0.00 -1.71 0.00 0.00 55.69 53.68 2f0u s MET 32 Cb -0.36 -0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.37 2f0u s MET 32 CO 0.31 -0.01 0.47 0.99 -0.01 0.00 0.00 175.02 176.77 2f0u s THR 33 N -1.75 5.18 -0.06 2.05 2.01 -1.26 -0.79 115.64 121.03 2f0u s THR 33 Ca -0.10 0.93 0.04 0.00 0.31 0.00 0.00 61.69 62.86 2f0u s THR 33 Cb -0.08 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2f0u s THR 33 CO -0.01 0.31 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.71 2f0u s PHE 34 N 0.77 2.67 -0.15 4.92 0.40 0.55 -1.05 117.98 126.09 2f0u s PHE 34 Ca 0.25 -0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2f0u s PHE 34 Cb -0.15 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 2f0u s PHE 34 CO 0.10 0.08 0.04 0.50 0.70 0.00 0.00 175.22 176.64 2f0u s ARG 35 N -0.53 3.69 -0.05 0.44 6.06 0.34 -1.40 118.95 127.50 2f0u s ARG 35 Ca 0.07 -0.37 -0.30 0.00 -2.50 0.00 0.00 55.73 52.63 2f0u s ARG 35 Cb -0.12 -3.08 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 2f0u s ARG 35 CO 0.01 0.40 1.30 -0.51 -2.50 0.00 0.00 175.30 174.00 2f0u s LEU 36 N 0.00 4.28 0.40 -0.88 1.43 -0.10 -3.10 118.68 120.71 2f0u s LEU 36 Ca 0.05 1.91 -0.27 0.00 -1.03 0.00 0.00 54.13 54.79 2f0u s LEU 36 Cb -0.12 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 2f0u s LEU 36 CO 0.01 -0.67 1.46 -0.76 0.23 0.00 0.00 176.35 176.62 2f0u s LEU 37 N 2.56 4.25 0.00 1.79 1.43 -0.45 -3.81 118.68 124.45 2f0u s LEU 37 Ca 0.59 3.00 0.00 0.00 -1.03 0.00 0.00 54.13 56.69 2f0u s LEU 37 Cb -0.27 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.19 2f0u s LEU 37 CO 0.23 -0.98 0.00 0.18 0.23 0.00 0.00 176.35 176.01 2f0u n LEU 38 N 0.23 0.24 -4.15 1.79 4.77 -1.26 -4.91 117.00 113.70 2f0u n LEU 38 Ca 0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.77 2f0u n LEU 38 Cb 0.40 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 2f0u n LEU 38 CO 0.62 -0.17 -0.49 0.68 -1.33 0.00 0.00 177.39 176.70 2f0u s VAL 39 N -2.66 1.26 -0.22 4.08 -7.23 -1.25 0.43 120.40 114.82 2f0u s VAL 39 Ca 0.00 -0.78 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 2f0u s VAL 39 Cb 0.00 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2f0u s VAL 39 CO 0.00 0.28 0.00 -1.81 -0.31 0.00 0.00 175.10 173.26 2f0u s ASP 40 N -0.57 4.74 0.22 4.85 1.01 -0.05 -4.73 116.67 122.13 2f0u s ASP 40 Ca 0.06 -0.26 0.05 0.00 0.71 0.00 0.00 52.55 53.11 2f0u s ASP 40 Cb -0.07 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 2f0u s ASP 40 CO -0.00 0.02 0.27 0.42 0.21 0.00 0.00 175.17 176.09 2f0u s THR 41 N 1.26 4.95 0.50 -1.27 -4.23 -1.26 -1.26 115.64 114.33 2f0u s THR 41 Ca 0.04 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.26 2f0u s THR 41 Cb -0.15 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 2f0u s THR 41 CO 0.01 -0.27 1.20 -2.84 -0.54 0.00 0.00 174.62 172.18 2f0u s PRO 42 N -3.70 3.50 0.14 3.99 0.02 -1.26 -4.96 135.00 132.72 2f0u s PRO 42 Ca 0.33 1.84 0.05 0.00 0.02 0.00 0.00 61.00 63.25 2f0u s PRO 42 Cb -0.09 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 2f0u s PRO 42 CO 0.27 -0.79 0.09 -1.21 -0.33 0.00 0.00 177.00 175.03 2f0u s GLU 43 N -2.89 2.78 -0.17 5.54 2.02 -1.26 -4.19 118.70 120.53 2f0u s GLU 43 Ca 0.68 -0.87 0.15 0.00 0.02 0.00 0.00 54.97 54.95 2f0u s GLU 43 Cb -0.30 -2.60 -0.21 0.00 0.10 0.00 0.00 34.13 31.11 2f0u s GLU 43 CO 0.36 0.50 0.06 0.25 0.02 0.00 0.00 175.26 176.44 2f0u n THR 44 N -0.08 1.19 -2.82 3.63 -2.24 -1.23 0.02 114.28 112.75 2f0u n THR 44 Ca -0.09 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 2f0u n THR 44 Cb 0.54 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 2f0u n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2f0u n LYS 45 N -2.65 3.67 -3.38 -0.78 5.02 -1.20 -4.02 118.16 114.82 2f0u n LYS 45 Ca -0.28 -4.77 -0.38 0.00 -2.02 0.00 0.00 58.31 50.85 2f0u n LYS 45 Cb 1.06 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2f0u n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2f0u s HIS 46 N -3.66 3.59 0.17 2.13 2.46 -1.07 -5.00 115.29 113.92 2f0u s HIS 46 Ca 0.47 0.93 -0.26 0.00 0.47 0.00 0.00 55.06 56.67 2f0u s HIS 46 Cb 0.28 -2.46 0.04 0.00 -0.13 0.00 0.00 32.58 30.30 2f0u s HIS 46 CO -0.15 0.34 1.56 -1.35 -2.47 0.00 0.00 174.74 172.68 2f0u h PRO 47 N 5.97 -0.19 0.00 2.88 0.11 -1.96 -2.77 132.00 136.05 2f0u h PRO 47 Ca -0.45 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2f0u h PRO 47 Cb 1.19 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2f0u h PRO 47 CO 0.71 -0.12 -0.49 0.87 -0.21 0.00 0.00 178.00 178.75 2f0u h LYS 48 N -0.19 0.00 0.13 1.05 1.57 -2.03 -3.43 116.57 113.68 2f0u h LYS 48 Ca 0.19 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.67 2f0u h LYS 48 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2f0u h LYS 48 CO -0.74 0.18 -1.44 -0.22 -0.57 0.00 0.00 179.45 176.66 2f0u h LYS 49 N -1.00 0.27 0.00 3.15 1.63 -2.00 -3.50 116.57 115.13 2f0u h LYS 49 Ca -0.05 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2f0u h LYS 49 Cb 0.54 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2f0u h LYS 49 CO -0.03 1.17 0.00 0.41 -3.45 0.00 0.00 179.45 177.55 2f0u n GLY 50 N 1.63 0.82 3.11 5.01 0.00 -1.04 -4.80 105.19 109.90 2f0u n GLY 50 Ca -0.14 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2f0u n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f0u s VAL 51 N 0.00 3.60 0.40 1.61 1.01 -1.26 -2.59 120.40 123.18 2f0u s VAL 51 Ca 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 61.98 59.27 2f0u s VAL 51 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2f0u s VAL 51 CO 0.00 -0.82 0.70 -1.61 0.00 0.00 0.00 175.10 173.37 2f0u s GLU 52 N 0.33 3.61 -0.02 2.72 2.02 0.10 -4.96 118.70 122.50 2f0u s GLU 52 Ca 0.14 0.14 -0.34 0.00 0.02 0.00 0.00 54.97 54.93 2f0u s GLU 52 Cb -0.21 -2.48 -0.12 0.00 0.10 0.00 0.00 34.13 31.42 2f0u s GLU 52 CO -0.04 -0.02 1.81 1.17 0.02 0.00 0.00 175.26 178.20 2f0u n LYS 53 N -1.67 2.19 -0.37 1.61 4.81 -1.26 -0.44 118.16 123.03 2f0u n LYS 53 Ca -0.00 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 2f0u n LYS 53 Cb 0.55 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.97 2f0u n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2f0u n TYR 54 N 5.85 0.00 -0.01 5.64 4.01 -1.26 -4.80 117.16 126.58 2f0u n TYR 54 Ca 0.21 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.86 2f0u n TYR 54 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 2f0u n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2f0u h GLY 55 N 0.00 -0.05 1.37 2.72 0.00 -0.92 0.51 103.07 106.70 2f0u h GLY 55 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2f0u h GLY 55 CO 0.00 -0.15 0.21 -2.55 0.00 0.00 0.00 176.54 174.06 2f0u h PRO 56 N -0.17 0.80 -0.34 4.80 0.11 -1.87 -0.54 132.00 134.80 2f0u h PRO 56 Ca 0.10 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2f0u h PRO 56 Cb 0.31 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2f0u h PRO 56 CO -0.24 0.67 0.01 0.93 -0.21 0.00 0.00 178.00 179.15 2f0u h GLU 57 N 0.79 0.60 -0.72 1.05 3.07 -1.79 -0.23 114.58 117.35 2f0u h GLU 57 Ca 0.19 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2f0u h GLU 57 Cb 0.17 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 2f0u h GLU 57 CO -0.02 0.71 0.25 0.00 -1.40 0.00 0.00 179.01 178.56 2f0u h ALA 58 N 0.86 1.07 -0.56 3.43 0.00 0.24 -1.57 119.26 122.74 2f0u h ALA 58 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2f0u h ALA 58 Cb 0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2f0u h ALA 58 CO 0.02 0.64 -0.03 1.03 0.00 0.00 0.00 179.25 180.90 2f0u h SER 59 N 1.06 0.98 -0.02 0.00 0.87 -0.92 -1.92 113.55 113.60 2f0u h SER 59 Ca 0.24 -0.28 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 2f0u h SER 59 Cb 0.26 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2f0u h SER 59 CO -0.01 1.05 -0.40 0.00 -0.53 0.00 0.00 176.83 176.94 2f0u h ALA 60 N 1.05 0.89 0.22 6.23 0.00 -0.80 -2.27 119.26 124.57 2f0u h ALA 60 Ca 0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2f0u h ALA 60 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2f0u h ALA 60 CO 0.03 0.64 -0.10 0.35 0.00 0.00 0.00 179.25 180.17 2f0u h PHE 61 N 0.44 -0.27 -0.43 0.00 3.04 -0.92 -0.33 116.94 118.47 2f0u h PHE 61 Ca 0.04 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.04 2f0u h PHE 61 Cb 0.88 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.43 2f0u h PHE 61 CO 0.03 -0.10 0.15 1.15 -2.02 0.00 0.00 178.31 177.52 2f0u h THR 62 N -0.38 0.86 -0.10 4.41 2.02 -1.38 -1.15 112.91 117.19 2f0u h THR 62 Ca -0.03 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.07 2f0u h THR 62 Cb 0.29 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2f0u h THR 62 CO 0.05 0.06 -0.04 0.50 0.37 0.00 0.00 175.52 176.46 2f0u h LYS 63 N 0.31 -0.02 -0.35 6.66 3.64 -1.27 -0.19 116.57 125.35 2f0u h LYS 63 Ca 0.20 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2f0u h LYS 63 Cb 0.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2f0u h LYS 63 CO -0.21 -0.01 0.21 0.87 -2.27 0.00 0.00 179.45 178.04 2f0u h LYS 64 N -0.02 0.48 -0.45 1.90 1.57 -0.90 0.22 116.57 119.38 2f0u h LYS 64 Ca 0.05 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2f0u h LYS 64 Cb 0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2f0u h LYS 64 CO -0.12 0.37 0.20 1.98 -0.57 0.00 0.00 179.45 181.31 2f0u h MET 65 N 0.46 0.39 0.00 3.15 4.05 -0.95 -0.37 114.93 121.67 2f0u h MET 65 Ca 0.13 -0.02 -0.23 0.00 -0.28 0.00 0.00 59.70 59.30 2f0u h MET 65 Cb 0.01 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 2f0u h MET 65 CO -0.02 0.26 -1.15 -0.39 0.23 0.00 0.00 176.91 175.84 2f0u h VAL 66 N 0.40 1.54 -0.35 -5.77 -1.51 -0.74 -3.25 116.25 106.58 2f0u h VAL 66 Ca 0.20 -3.28 -0.10 0.00 -1.23 0.00 0.00 66.70 62.29 2f0u h VAL 66 Cb 0.14 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 2f0u h VAL 66 CO -0.17 0.88 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.51 2f0u h GLU 67 N 0.00 0.67 -0.07 5.19 5.08 -0.27 -2.83 114.58 122.35 2f0u h GLU 67 Ca -0.07 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2f0u h GLU 67 Cb 1.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2f0u h GLU 67 CO 0.12 0.83 0.00 0.09 -1.00 0.00 0.00 179.01 179.05 2f0u n ASN 68 N -4.13 0.71 -4.83 1.42 3.02 -0.17 -4.93 115.26 106.35 2f0u n ASN 68 Ca 0.00 -1.55 -0.34 0.00 -0.03 0.00 0.00 54.58 52.66 2f0u n ASN 68 Cb 0.41 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 2f0u n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2f0u s ALA 69 N -1.91 3.23 0.07 5.41 0.00 -1.07 -4.96 121.76 122.52 2f0u s ALA 69 Ca 0.29 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 2f0u s ALA 69 Cb 0.15 -2.94 -0.26 0.00 0.00 0.00 0.00 23.12 20.07 2f0u s ALA 69 CO 0.23 0.25 1.15 0.87 0.00 0.00 0.00 175.76 178.26 2f0u h LYS 70 N 2.40 0.61 -4.42 0.00 1.57 -1.91 -3.46 116.57 111.36 2f0u h LYS 70 Ca -0.48 -0.76 -0.48 0.00 -1.87 0.00 0.00 60.65 57.06 2f0u h LYS 70 Cb 1.18 0.24 -0.33 0.00 0.08 0.00 0.00 32.23 33.40 2f0u h LYS 70 CO 0.64 1.34 -0.80 0.15 -0.57 0.00 0.00 179.45 180.20 2f0u s LYS 71 N -3.07 1.39 -0.11 3.15 1.02 -1.26 -5.02 119.74 115.84 2f0u s LYS 71 Ca -0.09 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 2f0u s LYS 71 Cb 0.06 -1.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2f0u s LYS 71 CO 0.92 0.01 -0.09 0.08 -0.92 0.00 0.00 175.35 175.35 2f0u s VAL 72 N 0.67 3.47 0.06 3.17 1.01 -1.26 -0.67 120.40 126.86 2f0u s VAL 72 Ca -0.13 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2f0u s VAL 72 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2f0u s VAL 72 CO 0.02 0.55 -0.13 -1.61 0.00 0.00 0.00 175.10 173.93 2f0u s GLU 73 N -0.12 0.80 -0.00 2.72 2.02 -0.39 -1.86 118.70 121.87 2f0u s GLU 73 Ca 0.01 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.14 2f0u s GLU 73 Cb -0.13 -0.78 -0.03 0.00 0.10 0.00 0.00 34.13 33.29 2f0u s GLU 73 CO 0.03 0.18 -0.08 0.14 0.02 0.00 0.00 175.26 175.55 2f0u s VAL 74 N -1.20 3.56 -0.25 2.63 -7.23 0.15 -1.13 120.40 116.94 2f0u s VAL 74 Ca -0.02 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2f0u s VAL 74 Cb -0.10 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.39 2f0u s VAL 74 CO 0.02 0.42 0.03 -0.70 -0.31 0.00 0.00 175.10 174.56 2f0u s GLU 75 N -1.33 1.02 0.54 4.82 2.12 -0.23 0.37 118.70 126.02 2f0u s GLU 75 Ca 0.16 -0.90 -0.19 0.00 0.36 0.00 0.00 54.97 54.40 2f0u s GLU 75 Cb -0.11 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.93 2f0u s GLU 75 CO 0.06 -0.76 1.12 -0.06 -0.54 0.00 0.00 175.26 175.09 2f0u s PHE 76 N 1.58 2.70 0.00 5.30 0.08 -1.26 -0.59 117.98 125.79 2f0u s PHE 76 Ca 0.02 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.61 2f0u s PHE 76 Cb -0.18 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 2f0u s PHE 76 CO -0.13 -1.50 0.00 -3.47 -0.10 0.00 0.00 175.22 170.02 2f0u n ASP 77 N -1.29 0.00 -0.19 1.36 -0.08 -1.26 -4.68 116.55 110.41 2f0u n ASP 77 Ca 0.11 -0.41 0.13 0.00 -1.51 0.00 0.00 54.79 53.11 2f0u n ASP 77 Cb 0.51 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.31 2f0u n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2f0u n LYS 78 N -0.41 0.63 0.00 -0.67 5.02 -1.26 -4.92 118.16 116.55 2f0u n LYS 78 Ca 0.00 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 2f0u n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2f0u n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f0u n GLY 79 N 1.38 3.32 3.75 0.72 0.00 -1.26 -4.95 105.19 108.16 2f0u n GLY 79 Ca 0.10 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 2f0u n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f0u s GLN 80 N 4.74 2.99 0.00 1.61 0.00 -1.26 -4.94 119.66 122.80 2f0u s GLN 80 Ca 0.00 1.86 0.11 0.00 -0.00 0.00 0.00 55.36 57.33 2f0u s GLN 80 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 33.01 31.05 2f0u s GLN 80 CO 0.00 -1.20 0.68 0.54 0.00 0.00 0.00 175.29 175.31 2f0u n ARG 81 N -1.52 1.90 -4.21 9.60 1.74 -1.26 -4.80 116.66 118.10 2f0u n ARG 81 Ca 0.13 -0.68 -0.17 0.00 -0.77 0.00 0.00 57.85 56.37 2f0u n ARG 81 Cb 0.49 -1.12 -0.11 0.00 -1.02 0.00 0.00 32.46 30.70 2f0u n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2f0u s THR 82 N -1.40 1.18 0.17 0.55 -4.23 -1.26 -0.24 115.64 110.42 2f0u s THR 82 Ca 0.09 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2f0u s THR 82 Cb 0.09 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.52 2f0u s THR 82 CO 0.26 -0.45 0.24 -0.90 -0.54 0.00 0.00 174.62 173.23 2f0u n ASP 83 N 0.60 0.44 0.00 3.99 5.68 0.45 -4.88 116.55 122.82 2f0u n ASP 83 Ca -0.16 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 52.88 2f0u n ASP 83 Cb 0.57 -0.14 0.43 0.00 -1.14 0.00 0.00 41.12 40.83 2f0u n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2f0u n LYS 84 N -1.42 0.11 -0.28 0.11 2.85 -1.26 -1.45 118.16 116.83 2f0u n LYS 84 Ca 0.04 0.15 0.10 0.00 -1.05 0.00 0.00 58.31 57.56 2f0u n LYS 84 Cb 0.16 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.30 2f0u n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2f0u n TYR 85 N -1.41 0.73 -0.99 5.58 4.01 -1.26 -4.89 117.16 118.93 2f0u n TYR 85 Ca 0.06 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2f0u n TYR 85 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2f0u n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f0u n GLY 86 N 1.45 0.60 3.78 2.72 0.00 -0.53 -5.02 105.19 108.19 2f0u n GLY 86 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2f0u n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f0u s ARG 87 N -0.01 4.43 0.47 1.61 0.52 -1.26 -4.77 118.95 119.96 2f0u s ARG 87 Ca 0.00 0.99 -0.24 0.00 -0.52 0.00 0.00 55.73 55.96 2f0u s ARG 87 Cb 0.00 -3.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.13 2f0u s ARG 87 CO 0.00 0.55 1.37 0.20 0.02 0.00 0.00 175.30 177.43 2f0u s GLY 88 N -0.95 2.90 -0.31 -3.53 0.00 -0.21 -0.41 107.32 104.81 2f0u s GLY 88 Ca 0.34 1.35 -0.03 0.00 0.00 0.00 0.00 44.72 46.38 2f0u s GLY 88 CO 0.23 1.92 0.02 1.08 0.00 0.00 0.00 173.10 176.35 2f0u s LEU 89 N -2.95 4.00 0.25 0.66 1.43 0.66 -0.50 118.68 122.23 2f0u s LEU 89 Ca 0.64 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 2f0u s LEU 89 Cb -0.41 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2f0u s LEU 89 CO 0.51 -0.28 0.54 0.00 0.23 0.00 0.00 176.35 177.35 2f0u s ALA 90 N 1.27 -0.55 -0.06 4.21 0.00 -1.18 -4.37 121.76 121.09 2f0u s ALA 90 Ca -0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 2f0u s ALA 90 Cb -0.20 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 2f0u s ALA 90 CO -0.00 -0.89 0.51 0.71 0.00 0.00 0.00 175.76 176.08 2f0u s TYR 91 N -3.98 3.61 -0.10 0.00 2.02 0.24 -1.33 117.35 117.80 2f0u s TYR 91 Ca 0.18 1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 57.89 2f0u s TYR 91 Cb -0.02 -2.53 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 2f0u s TYR 91 CO 0.07 0.31 -0.06 0.42 -1.57 0.00 0.00 175.55 174.72 2f0u s ILE 92 N 0.05 3.70 -0.06 2.71 -1.09 -1.26 -1.07 121.20 124.18 2f0u s ILE 92 Ca 0.27 -0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 2f0u s ILE 92 Cb -0.16 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2f0u s ILE 92 CO 0.13 0.55 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.91 2f0u s TYR 93 N -0.28 2.61 -0.23 3.97 1.51 -0.28 -0.27 117.35 124.38 2f0u s TYR 93 Ca 0.04 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2f0u s TYR 93 Cb -0.13 -1.65 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 2f0u s TYR 93 CO 0.02 -0.02 -0.14 0.00 -1.11 0.00 0.00 175.55 174.31 2f0u s ALA 94 N -0.36 2.47 -1.45 3.71 0.00 0.63 -1.26 121.76 125.50 2f0u s ALA 94 Ca 0.03 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 2f0u s ALA 94 Cb -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2f0u s ALA 94 CO 0.02 -0.91 0.25 -0.25 0.00 0.00 0.00 175.76 174.87 2f0u n ASP 95 N 4.50 -0.18 0.00 0.00 8.00 0.16 -1.52 116.55 127.52 2f0u n ASP 95 Ca -0.16 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.18 2f0u n ASP 95 Cb 0.45 -2.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.27 2f0u n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f0u n GLY 96 N -2.27 2.00 3.55 0.44 0.00 -1.26 -5.00 105.19 102.65 2f0u n GLY 96 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2f0u n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f0u s LYS 97 N -0.16 3.82 -0.16 1.61 1.02 -0.57 -5.05 119.74 120.25 2f0u s LYS 97 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 2f0u s LYS 97 Cb 0.00 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2f0u s LYS 97 CO 0.00 0.08 1.44 1.41 -0.92 0.00 0.00 175.35 177.36 2f0u s MET 98 N 0.90 4.10 0.28 1.68 -2.45 -1.26 -0.27 119.30 122.28 2f0u s MET 98 Ca 0.03 1.76 -0.03 0.00 -1.25 0.00 0.00 55.69 56.20 2f0u s MET 98 Cb -0.14 -3.89 0.38 0.00 1.25 0.00 0.00 34.83 32.43 2f0u s MET 98 CO 0.03 -0.91 1.95 0.28 1.05 0.00 0.00 175.02 177.42 2f0u h VAL 99 N 5.70 1.23 -0.74 10.11 2.07 -0.99 -1.97 116.25 131.65 2f0u h VAL 99 Ca -0.31 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2f0u h VAL 99 Cb 1.13 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2f0u h VAL 99 CO 0.98 0.23 0.45 0.78 0.02 0.00 0.00 177.57 180.03 2f0u h ASN 100 N 1.19 0.89 -0.35 0.57 4.21 -1.91 -2.41 115.58 117.78 2f0u h ASN 100 Ca 0.32 -0.06 -0.17 0.00 1.21 0.00 0.00 56.30 57.60 2f0u h ASN 100 Cb -0.12 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 36.85 2f0u h ASN 100 CO -0.07 0.69 -0.44 -0.08 -1.29 0.00 0.00 177.43 176.25 2f0u h GLU 101 N 1.02 0.92 -0.77 0.81 4.22 -1.86 -3.08 114.58 115.83 2f0u h GLU 101 Ca 0.27 -0.51 0.04 0.00 0.08 0.00 0.00 59.36 59.24 2f0u h GLU 101 Cb -0.04 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2f0u h GLU 101 CO -0.05 1.16 0.48 0.00 -2.18 0.00 0.00 179.01 178.42 2f0u h ALA 102 N 0.75 1.03 -0.55 2.92 0.00 -1.11 0.41 119.26 122.71 2f0u h ALA 102 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2f0u h ALA 102 Cb 1.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2f0u h ALA 102 CO 0.10 0.24 0.36 -0.07 0.00 0.00 0.00 179.25 179.89 2f0u h LEU 103 N 0.90 0.63 -0.36 0.00 3.38 -1.40 -1.26 115.31 117.20 2f0u h LEU 103 Ca 0.32 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 2f0u h LEU 103 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2f0u h LEU 103 CO -0.14 0.46 -0.10 0.58 0.09 0.00 0.00 178.44 179.32 2f0u h VAL 104 N 0.74 1.28 -0.16 1.22 2.07 -1.34 -0.24 116.25 119.82 2f0u h VAL 104 Ca 0.20 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2f0u h VAL 104 Cb -0.09 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2f0u h VAL 104 CO -0.04 0.39 0.01 -0.09 0.02 0.00 0.00 177.57 177.86 2f0u h ARG 105 N 0.50 0.23 -0.13 1.57 9.65 0.24 -2.01 114.38 124.44 2f0u h ARG 105 Ca 0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2f0u h ARG 105 Cb 0.62 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2f0u h ARG 105 CO 0.04 0.25 0.00 1.04 2.80 0.00 0.00 179.97 184.09 2f0u n GLN 106 N -4.41 1.55 -1.97 0.20 1.13 -0.52 -4.39 117.38 108.97 2f0u n GLN 106 Ca -0.01 -0.83 -0.10 0.00 -1.94 0.00 0.00 57.00 54.12 2f0u n GLN 106 Cb 0.16 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 2f0u n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f0u n GLY 107 N 1.04 0.25 0.65 1.08 0.00 -0.75 -4.46 105.19 103.00 2f0u n GLY 107 Ca 0.15 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.75 2f0u n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f0u n LEU 108 N -1.38 2.71 -3.51 0.99 4.77 -0.12 -1.11 117.00 119.35 2f0u n LEU 108 Ca -0.12 -1.66 -0.16 0.00 -0.03 0.00 0.00 56.01 54.05 2f0u n LEU 108 Cb 0.53 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 2f0u n LEU 108 CO 0.14 0.63 0.48 0.00 -1.33 0.00 0.00 177.39 177.31 2f0u s ALA 109 N -1.02 -1.76 0.14 -1.18 0.00 -1.18 -4.34 121.76 112.43 2f0u s ALA 109 Ca 0.22 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2f0u s ALA 109 Cb 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2f0u s ALA 109 CO 0.17 -0.44 0.17 0.15 0.00 0.00 0.00 175.76 175.81 2f0u s LYS 110 N -1.69 3.09 0.06 0.00 1.02 -0.39 -4.44 119.74 117.39 2f0u s LYS 110 Ca -0.07 -0.73 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 2f0u s LYS 110 Cb -0.00 -2.78 -0.07 0.00 -0.52 0.00 0.00 37.83 34.46 2f0u s LYS 110 CO 0.04 0.52 1.43 0.08 -0.92 0.00 0.00 175.35 176.50 2f0u s VAL 111 N -1.67 3.44 1.05 3.17 1.01 -1.26 -0.87 120.40 125.27 2f0u s VAL 111 Ca 0.32 0.94 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 2f0u s VAL 111 Cb -0.11 -3.60 0.21 0.00 0.00 0.00 0.00 36.38 32.88 2f0u s VAL 111 CO 0.25 0.03 1.08 0.00 0.00 0.00 0.00 175.10 176.46 2f0u s ALA 112 N 1.87 0.67 0.15 5.51 0.00 0.17 -4.77 121.76 125.35 2f0u s ALA 112 Ca 0.66 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 2f0u s ALA 112 Cb -0.35 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 2f0u s ALA 112 CO 0.29 -3.08 1.79 -0.47 0.00 0.00 0.00 175.76 174.29 2f0u s TYR 113 N -2.90 2.40 -0.15 0.00 5.04 -1.26 -4.92 117.35 115.56 2f0u s TYR 113 Ca 0.66 0.11 -0.08 0.00 -2.44 0.00 0.00 57.07 55.33 2f0u s TYR 113 Cb -0.19 -4.15 -0.04 0.00 0.35 0.00 0.00 41.96 37.92 2f0u s TYR 113 CO 0.58 -4.63 0.12 0.08 -1.34 0.00 0.00 175.55 170.36 2f0u s VAL 114 N 2.24 5.33 -0.28 3.14 1.01 -1.26 -4.94 120.40 125.64 2f0u s VAL 114 Ca 0.79 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 2f0u s VAL 114 Cb -0.47 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2f0u s VAL 114 CO 0.35 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.65 2f0u s TYR 115 N -0.46 3.20 0.59 5.22 2.02 -1.26 -5.09 117.35 121.57 2f0u s TYR 115 Ca 0.12 -1.85 -0.17 0.00 -0.37 0.00 0.00 57.07 54.79 2f0u s TYR 115 Cb -0.12 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 2f0u s TYR 115 CO 0.02 -0.79 1.11 0.15 -1.57 0.00 0.00 175.55 174.46 2f0u s LYS 116 N 1.25 3.17 -0.11 -0.62 1.02 -1.26 -0.49 119.74 122.70 2f0u s LYS 116 Ca -0.04 1.46 0.11 0.00 0.02 0.00 0.00 55.97 57.51 2f0u s LYS 116 Cb -0.19 -1.99 0.50 0.00 -0.52 0.00 0.00 37.83 35.63 2f0u s LYS 116 CO -0.03 -0.96 1.32 -0.35 -0.92 0.00 0.00 175.35 174.41 2f0u n PRO 117 N -1.79 3.14 -2.33 -1.68 -0.04 -1.26 -5.01 135.00 126.02 2f0u n PRO 117 Ca 0.11 -1.96 -0.43 0.00 -0.04 0.00 0.00 63.50 61.18 2f0u n PRO 117 Cb 0.52 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2f0u n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2f0u n ASN 118 N 0.55 5.01 -0.77 3.54 3.02 0.36 -4.28 115.26 122.69 2f0u n ASN 118 Ca 0.17 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 2f0u n ASN 118 Cb 0.74 -1.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2f0u n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2f0u n ASN 119 N 4.14 0.11 -0.07 6.41 6.94 -1.26 -4.46 115.26 127.06 2f0u n ASN 119 Ca 0.40 -1.78 -0.07 0.00 -0.02 0.00 0.00 54.58 53.11 2f0u n ASN 119 Cb 0.37 -0.13 -0.00 0.00 -2.36 0.00 0.00 39.78 37.66 2f0u n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2f0u h THR 120 N 6.36 0.82 -0.44 5.53 2.02 -1.97 -2.09 112.91 123.14 2f0u h THR 120 Ca -0.11 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 2f0u h THR 120 Cb 1.42 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 2f0u h THR 120 CO -0.01 0.02 0.11 1.41 0.37 0.00 0.00 175.52 177.43 2f0u n HIS 121 N -5.13 1.52 -0.16 3.16 8.25 -1.26 -4.54 115.22 117.06 2f0u n HIS 121 Ca -0.00 -0.71 -0.08 0.00 -0.26 0.00 0.00 57.72 56.66 2f0u n HIS 121 Cb 0.14 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.79 2f0u n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2f0u h GLU 122 N 2.06 0.68 -0.25 -0.41 4.81 -1.76 -1.87 114.58 117.83 2f0u h GLU 122 Ca 0.11 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2f0u h GLU 122 Cb 1.66 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 2f0u h GLU 122 CO 0.43 0.60 0.08 1.96 -0.73 0.00 0.00 179.01 181.35 2f0u h GLN 123 N 0.60 0.39 -0.55 1.92 7.50 -1.82 0.24 115.11 123.40 2f0u h GLN 123 Ca 0.16 -0.08 0.08 0.00 0.50 0.00 0.00 58.65 59.30 2f0u h GLN 123 Cb 0.16 -0.06 -0.07 0.00 0.05 0.00 0.00 27.48 27.57 2f0u h GLN 123 CO -0.02 0.46 0.18 1.25 -1.50 0.00 0.00 178.83 179.21 2f0u h HIS 124 N 0.25 0.31 -0.38 2.96 2.76 -1.86 -0.46 115.15 118.73 2f0u h HIS 124 Ca 0.08 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.15 2f0u h HIS 124 Cb 0.23 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2f0u h HIS 124 CO 0.00 0.07 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.35 2f0u h LEU 125 N 0.35 0.83 -1.22 0.26 3.38 -1.08 -2.18 115.31 115.65 2f0u h LEU 125 Ca 0.27 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2f0u h LEU 125 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2f0u h LEU 125 CO -0.29 1.06 -0.25 0.03 0.09 0.00 0.00 178.44 179.08 2f0u h ARG 126 N 0.69 0.22 -0.50 1.13 3.08 -0.20 0.19 114.38 118.99 2f0u h ARG 126 Ca 0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2f0u h ARG 126 Cb 0.82 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2f0u h ARG 126 CO 0.07 0.46 0.23 0.87 -1.07 0.00 0.00 179.97 180.53 2f0u h LYS 127 N 0.20 0.72 -0.42 0.04 1.57 -0.91 -0.73 116.57 117.04 2f0u h LYS 127 Ca 0.03 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 2f0u h LYS 127 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2f0u h LYS 127 CO 0.04 0.62 -0.18 0.77 -0.57 0.00 0.00 179.45 180.13 2f0u h SER 128 N 0.66 0.81 -0.79 0.86 0.02 -0.94 -2.55 113.55 111.62 2f0u h SER 128 Ca 0.17 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 2f0u h SER 128 Cb 0.14 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2f0u h SER 128 CO -0.02 0.98 0.31 -0.08 -1.14 0.00 0.00 176.83 176.88 2f0u h GLU 129 N 0.72 1.19 -0.41 3.45 4.81 -0.33 -1.32 114.58 122.69 2f0u h GLU 129 Ca 0.11 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2f0u h GLU 129 Cb 0.69 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2f0u h GLU 129 CO 0.05 0.96 -0.08 0.00 -0.73 0.00 0.00 179.01 179.21 2f0u h ALA 130 N 1.18 1.09 -0.21 2.92 0.00 -0.99 -1.88 119.26 121.37 2f0u h ALA 130 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2f0u h ALA 130 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2f0u h ALA 130 CO -0.02 0.57 0.07 0.37 0.00 0.00 0.00 179.25 180.24 2f0u h GLN 131 N 0.65 0.32 0.00 0.00 5.75 -1.17 -1.72 115.11 118.94 2f0u h GLN 131 Ca 0.12 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2f0u h GLN 131 Cb 0.52 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 2f0u h GLN 131 CO 0.03 0.40 -0.10 0.00 -2.65 0.00 0.00 178.83 176.51 2f0u h ALA 132 N 0.90 1.83 -0.11 3.38 0.00 -0.98 -0.12 119.26 124.17 2f0u h ALA 132 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2f0u h ALA 132 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2f0u h ALA 132 CO -0.00 0.12 -0.20 0.87 0.00 0.00 0.00 179.25 180.04 2f0u h LYS 133 N 0.00 0.32 -0.57 0.00 1.57 -1.17 -0.31 116.57 116.42 2f0u h LYS 133 Ca -0.00 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2f0u h LYS 133 Cb 0.18 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2f0u h LYS 133 CO 0.01 0.80 0.38 -0.22 -0.57 0.00 0.00 179.45 179.85 2f0u h LYS 134 N -0.11 0.49 -0.01 3.15 1.63 -1.03 0.46 116.57 121.16 2f0u h LYS 134 Ca 0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2f0u h LYS 134 Cb 0.78 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2f0u h LYS 134 CO 0.04 0.33 -0.17 0.39 -3.45 0.00 0.00 179.45 176.59 2f0u n GLU 135 N -4.47 0.76 -3.88 1.90 1.02 -0.08 -4.95 120.64 110.93 2f0u n GLU 135 Ca 0.08 -0.35 -0.28 0.00 -0.02 0.00 0.00 57.16 56.59 2f0u n GLU 135 Cb 0.26 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 2f0u n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2f0u n LYS 136 N -0.81 -5.15 -2.80 3.49 5.02 0.15 -4.95 118.16 113.11 2f0u n LYS 136 Ca 0.13 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 2f0u n LYS 136 Cb 0.31 -5.34 -0.03 0.00 -0.02 0.00 0.00 35.03 29.95 2f0u n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2f0u s LEU 137 N -7.11 4.36 0.00 -0.35 1.43 -0.85 -3.42 118.68 112.74 2f0u s LEU 137 Ca 0.46 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 2f0u s LEU 137 Cb -0.23 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2f0u s LEU 137 CO 0.83 -0.21 0.00 0.59 0.23 0.00 0.00 176.35 177.79 2f0u n ASN 138 N 3.82 0.00 -0.33 2.29 3.02 -1.26 -0.93 115.26 121.87 2f0u n ASN 138 Ca 0.04 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.83 2f0u n ASN 138 Cb 0.51 0.00 0.52 0.00 -0.61 0.00 0.00 39.78 40.20 2f0u n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2f0u h ILE 139 N 0.00 0.48 -0.48 2.41 2.04 -1.42 0.22 117.51 120.75 2f0u h ILE 139 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2f0u h ILE 139 Cb 0.00 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2f0u h ILE 139 CO 0.00 0.07 0.00 0.79 0.00 0.00 0.00 178.15 179.01 2f0u n TRP 140 N -4.64 0.97 1.39 1.37 7.02 -0.10 -5.13 117.44 118.31 2f0u n TRP 140 Ca 0.27 -0.41 0.14 0.00 -1.02 0.00 0.00 57.50 56.48 2f0u n TRP 140 Cb 0.93 -0.14 0.43 0.00 -2.42 0.00 0.00 31.31 30.12 2f0u n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54