#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2u s HIS 8 N 0.00 0.82 0.13 -1.77 5.65 -1.26 -5.10 115.29 113.76 1a2u s HIS 8 Ca 0.00 -0.21 -0.22 0.00 0.25 0.00 0.00 55.06 54.88 1a2u s HIS 8 Cb 0.00 -0.62 -0.07 0.00 -1.18 0.00 0.00 32.58 30.70 1a2u s HIS 8 CO 0.00 -0.12 0.67 0.15 -0.65 0.00 0.00 174.74 174.79 1a2u s LYS 9 N 0.38 4.36 0.01 2.88 1.02 -1.26 -4.33 119.74 122.80 1a2u s LYS 9 Ca -0.05 0.92 0.05 0.00 0.02 0.00 0.00 55.97 56.90 1a2u s LYS 9 Cb -0.10 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1a2u s LYS 9 CO 0.00 0.59 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.66 1a2u s GLU 10 N -1.22 1.09 0.54 1.68 2.02 0.21 -4.93 118.70 118.08 1a2u s GLU 10 Ca 0.33 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.48 1a2u s GLU 10 Cb -0.21 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.88 1a2u s GLU 10 CO 0.22 0.29 1.18 -2.14 0.02 0.00 0.00 175.26 174.83 1a2u s PRO 11 N -0.69 3.33 0.11 0.39 0.02 -1.26 -0.15 135.00 136.75 1a2u s PRO 11 Ca 0.04 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 62.73 1a2u s PRO 11 Cb -0.07 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1a2u s PRO 11 CO 0.00 -0.91 0.27 0.00 -0.33 0.00 0.00 177.00 176.03 1a2u s ALA 12 N -1.61 -0.40 -0.11 -1.55 0.00 -0.90 -4.69 121.76 112.50 1a2u s ALA 12 Ca 0.72 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1a2u s ALA 12 Cb -0.29 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1a2u s ALA 12 CO 0.33 -0.57 -0.19 0.99 0.00 0.00 0.00 175.76 176.32 1a2u s THR 13 N -3.86 1.72 0.24 0.00 2.01 -0.62 -4.17 115.64 110.96 1a2u s THR 13 Ca 0.06 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 1a2u s THR 13 Cb 0.04 -1.53 -0.12 0.00 0.01 0.00 0.00 72.50 70.90 1a2u s THR 13 CO -0.09 0.48 1.68 -0.22 -0.69 0.00 0.00 174.62 175.78 1a2u s LEU 14 N 0.73 4.36 -0.14 4.42 0.20 -1.26 -0.13 118.68 126.87 1a2u s LEU 14 Ca -0.11 2.90 -0.10 0.00 0.69 0.00 0.00 54.13 57.51 1a2u s LEU 14 Cb -0.16 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 41.93 1a2u s LEU 14 CO 0.02 -0.95 -0.22 -0.38 -0.29 0.00 0.00 176.35 174.52 1a2u n ILE 15 N 3.31 1.11 -3.64 6.68 5.41 0.57 -4.81 119.36 127.98 1a2u n ILE 15 Ca 0.13 -0.07 -0.05 0.00 1.00 0.00 0.00 62.75 63.76 1a2u n ILE 15 Cb 0.36 -1.85 -0.06 0.00 -0.71 0.00 0.00 39.64 37.38 1a2u n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1a2u s LYS 16 N -2.40 0.66 -0.08 0.38 2.20 -0.84 -4.98 119.74 114.68 1a2u s LYS 16 Ca -0.22 1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 1a2u s LYS 16 Cb 0.07 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1a2u s LYS 16 CO 0.29 -0.17 1.03 0.00 -0.36 0.00 0.00 175.35 176.14 1a2u s ALA 17 N 2.14 3.37 -0.21 3.13 0.00 -1.26 -0.19 121.76 128.74 1a2u s ALA 17 Ca -0.08 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1a2u s ALA 17 Cb -0.08 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1a2u s ALA 17 CO -0.20 -0.55 -0.30 -0.89 0.00 0.00 0.00 175.76 173.82 1a2u n ILE 18 N 4.43 1.50 -2.42 0.00 5.41 -0.91 -4.96 119.36 122.42 1a2u n ILE 18 Ca 0.09 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1a2u n ILE 18 Cb 0.49 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 1a2u n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a2u n ASP 19 N -4.40 0.00 -0.29 4.38 5.75 -0.57 -4.99 116.55 116.43 1a2u n ASP 19 Ca -0.29 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.44 1a2u n ASP 19 Cb 0.64 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.79 1a2u n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1a2u h GLY 20 N 0.00 1.17 -0.65 6.12 0.00 -1.81 -3.32 103.07 104.59 1a2u h GLY 20 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1a2u h GLY 20 CO 0.00 0.50 0.00 2.09 0.00 0.00 0.00 176.54 179.13 1a2u n ASP 21 N -4.44 1.92 -4.24 0.19 5.68 -1.26 -4.78 116.55 109.63 1a2u n ASP 21 Ca 0.08 -1.53 -0.16 0.00 -0.50 0.00 0.00 54.79 52.68 1a2u n ASP 21 Cb 0.08 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 39.91 1a2u n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a2u s THR 22 N -0.73 1.22 -0.05 2.12 2.01 -1.25 -1.07 115.64 117.90 1a2u s THR 22 Ca 0.10 -1.89 0.02 0.00 0.31 0.00 0.00 61.69 60.23 1a2u s THR 22 Cb 0.06 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.91 1a2u s THR 22 CO 0.09 -0.60 -0.08 -0.75 -0.69 0.00 0.00 174.62 172.59 1a2u s LYS 24 N -3.25 1.11 0.10 4.92 2.20 0.73 -1.50 119.74 124.06 1a2u s LYS 24 Ca 0.13 -0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 1a2u s LYS 24 Cb -0.01 -1.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.26 1a2u s LYS 24 CO 0.02 -0.02 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.38 1a2u s LEU 25 N 0.71 2.43 -0.33 5.43 1.43 0.88 -0.32 118.68 128.91 1a2u s LEU 25 Ca -0.11 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1a2u s LEU 25 Cb -0.14 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 1a2u s LEU 25 CO 0.01 -0.28 0.47 -0.32 0.23 0.00 0.00 176.35 176.47 1a2u s MET 26 N -2.95 3.71 -0.08 1.70 -2.45 0.82 -0.36 119.30 119.69 1a2u s MET 26 Ca 0.07 -0.12 0.02 0.00 -1.25 0.00 0.00 55.69 54.40 1a2u s MET 26 Cb -0.02 -3.77 0.02 0.00 1.25 0.00 0.00 34.83 32.30 1a2u s MET 26 CO -0.00 -0.55 -0.12 -0.47 1.05 0.00 0.00 175.02 174.93 1a2u s TYR 27 N 2.28 1.56 -1.58 4.11 5.04 0.49 -1.59 117.35 127.66 1a2u s TYR 27 Ca 0.17 -0.65 -0.15 0.00 -2.44 0.00 0.00 57.07 54.00 1a2u s TYR 27 Cb -0.16 -1.17 0.11 0.00 0.35 0.00 0.00 41.96 41.09 1a2u s TYR 27 CO 0.12 -0.36 0.93 1.63 -1.34 0.00 0.00 175.55 176.53 1a2u n LYS 28 N 4.10 -4.87 0.00 4.97 4.01 -1.26 -1.20 118.16 123.91 1a2u n LYS 28 Ca -0.20 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 1a2u n LYS 28 Cb 0.51 -5.38 0.00 0.00 -0.51 0.00 0.00 35.03 29.65 1a2u n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a2u n GLY 29 N -1.61 3.25 3.35 0.72 0.00 -1.26 -5.03 105.19 104.61 1a2u n GLY 29 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1a2u n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a2u s GLN 30 N -0.51 1.49 0.20 1.61 0.00 -0.34 -5.07 119.66 117.03 1a2u s GLN 30 Ca 0.00 -1.22 -0.30 0.00 -0.00 0.00 0.00 55.36 53.84 1a2u s GLN 30 Cb 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 33.01 31.10 1a2u s GLN 30 CO 0.00 0.45 1.25 -1.25 0.00 0.00 0.00 175.29 175.74 1a2u s PRO 31 N -1.72 4.44 -0.03 9.60 0.04 -1.26 -0.38 135.00 145.69 1a2u s PRO 31 Ca 0.12 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1a2u s PRO 31 Cb -0.10 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1a2u s PRO 31 CO 0.04 -0.17 0.24 -1.64 0.04 0.00 0.00 177.00 175.52 1a2u s MET 32 N -0.29 0.51 -0.10 4.56 -1.94 0.52 -4.93 119.30 117.63 1a2u s MET 32 Ca 0.54 -0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 54.28 1a2u s MET 32 Cb -0.35 0.22 -0.05 0.00 2.01 0.00 0.00 34.83 36.67 1a2u s MET 32 CO 0.38 -0.12 0.30 -0.08 -0.01 0.00 0.00 175.02 175.49 1a2u s THR 33 N -0.96 5.26 0.04 2.05 -1.32 -1.26 -0.09 115.64 119.36 1a2u s THR 33 Ca -0.10 0.57 0.05 0.00 -1.21 0.00 0.00 61.69 61.00 1a2u s THR 33 Cb -0.05 -3.61 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 1a2u s THR 33 CO 0.02 0.49 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.47 1a2u s PHE 34 N -0.28 2.78 -0.10 9.09 0.40 -1.26 -1.10 117.98 127.51 1a2u s PHE 34 Ca 0.18 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 1a2u s PHE 34 Cb -0.14 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1a2u s PHE 34 CO 0.07 0.36 -0.23 0.50 0.70 0.00 0.00 175.22 176.62 1a2u s ARG 35 N -1.64 2.96 0.20 0.44 6.06 0.21 -4.25 118.95 122.93 1a2u s ARG 35 Ca 0.18 -0.85 -0.30 0.00 -2.50 0.00 0.00 55.73 52.26 1a2u s ARG 35 Cb -0.11 -2.25 -0.09 0.00 0.06 0.00 0.00 34.95 32.56 1a2u s ARG 35 CO 0.09 0.16 1.43 -0.51 -2.50 0.00 0.00 175.30 173.96 1a2u s LEU 36 N 0.39 4.39 0.59 -0.88 1.43 -0.23 -3.04 118.68 121.33 1a2u s LEU 36 Ca -0.18 2.54 -0.18 0.00 -1.03 0.00 0.00 54.13 55.29 1a2u s LEU 36 Cb -0.18 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1a2u s LEU 36 CO 0.08 -0.68 1.11 -0.76 0.23 0.00 0.00 176.35 176.33 1a2u s LEU 37 N 0.20 3.60 -0.68 1.79 1.43 -0.13 -4.11 118.68 120.79 1a2u s LEU 37 Ca 0.62 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1a2u s LEU 37 Cb -0.40 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.25 1a2u s LEU 37 CO 0.38 -1.34 0.00 0.18 0.23 0.00 0.00 176.35 175.80 1a2u n LEU 38 N -1.75 -0.10 -4.16 1.79 4.77 -1.26 -4.93 117.00 111.37 1a2u n LEU 38 Ca 0.11 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1a2u n LEU 38 Cb 0.52 -1.97 -0.10 0.00 -2.33 0.00 0.00 43.42 39.54 1a2u n LEU 38 CO 0.44 -0.71 -0.25 0.68 -1.33 0.00 0.00 177.39 176.23 1a2u s VAL 39 N -1.37 0.06 -0.22 4.08 -7.23 -1.21 -1.69 120.40 112.83 1a2u s VAL 39 Ca 0.00 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1a2u s VAL 39 Cb 0.00 -2.21 0.11 0.00 0.56 0.00 0.00 36.38 34.84 1a2u s VAL 39 CO 0.00 -0.26 0.33 -0.62 -0.31 0.00 0.00 175.10 174.24 1a2u s ASP 40 N -3.09 0.46 0.28 4.85 2.15 -0.26 -4.63 116.67 116.43 1a2u s ASP 40 Ca 0.29 0.26 -0.08 0.00 0.43 0.00 0.00 52.55 53.45 1a2u s ASP 40 Cb 0.07 0.93 -0.06 0.00 -0.30 0.00 0.00 42.92 43.55 1a2u s ASP 40 CO 0.06 -0.29 0.60 0.42 -0.17 0.00 0.00 175.17 175.79 1a2u s THR 41 N 2.49 4.92 0.56 1.71 -4.23 -1.26 -2.27 115.64 117.55 1a2u s THR 41 Ca 0.08 0.38 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 1a2u s THR 41 Cb -0.15 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1a2u s THR 41 CO -0.14 -0.24 1.12 -2.65 -0.54 0.00 0.00 174.62 172.17 1a2u n PRO 42 N -0.62 1.24 -2.31 3.99 -0.02 -1.26 -4.87 135.00 131.14 1a2u n PRO 42 Ca 0.00 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 1a2u n PRO 42 Cb 0.53 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1a2u n PRO 42 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1a2u s GLU 43 N -2.72 4.22 0.00 -0.52 2.56 -1.26 -4.54 118.70 116.44 1a2u s GLU 43 Ca 0.73 1.87 0.00 0.00 0.00 0.00 0.00 54.97 57.57 1a2u s GLU 43 Cb -0.44 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1a2u s GLU 43 CO 0.49 -0.19 0.10 0.25 -0.56 0.00 0.00 175.26 175.35 1a2u n THR 44 N 0.39 0.00 0.00 -1.70 -2.24 -1.25 -0.20 114.28 109.27 1a2u n THR 44 Ca 0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1a2u n THR 44 Cb 0.46 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1a2u n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a2u n LYS 45 N -0.16 0.00 -0.97 -0.78 4.01 -1.26 -4.69 118.16 114.31 1a2u n LYS 45 Ca 0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 1a2u n LYS 45 Cb 0.09 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.55 1a2u n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1a2u n HIS 46 N -0.02 0.97 0.10 2.13 -0.00 -1.26 -4.58 115.22 112.55 1a2u n HIS 46 Ca 0.00 0.63 0.17 0.00 0.46 0.00 0.00 57.72 58.98 1a2u n HIS 46 Cb 0.00 -1.32 0.70 0.00 -0.12 0.00 0.00 29.99 29.26 1a2u n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a2u h PRO 47 N 3.38 0.00 0.00 1.57 0.11 -1.96 0.69 132.00 135.79 1a2u h PRO 47 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1a2u h PRO 47 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1a2u h PRO 47 CO 0.59 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.55 1a2u n LYS 48 N -4.31 0.17 0.00 1.05 0.00 -1.26 -3.38 118.16 110.44 1a2u n LYS 48 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 58.31 58.81 1a2u n LYS 48 Cb 0.43 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.60 1a2u n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1a2u n LYS 49 N -2.19 3.34 0.00 1.64 5.02 -0.48 -5.14 118.16 120.36 1a2u n LYS 49 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1a2u n LYS 49 Cb 0.19 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1a2u n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a2u n GLY 50 N 3.08 -1.88 3.53 0.72 0.00 0.11 -4.52 105.19 106.24 1a2u n GLY 50 Ca 0.00 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1a2u n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2u s VAL 51 N 0.00 4.27 0.49 1.61 1.01 -1.26 -3.96 120.40 122.56 1a2u s VAL 51 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1a2u s VAL 51 Cb 0.00 -4.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 1a2u s VAL 51 CO 0.00 -1.22 0.90 -1.61 0.00 0.00 0.00 175.10 173.17 1a2u s GLU 52 N 4.27 3.77 0.28 2.72 2.02 0.71 -4.99 118.70 127.49 1a2u s GLU 52 Ca 0.33 0.66 -0.30 0.00 0.02 0.00 0.00 54.97 55.68 1a2u s GLU 52 Cb -0.11 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.76 1a2u s GLU 52 CO 0.20 -0.24 1.60 0.21 0.02 0.00 0.00 175.26 177.05 1a2u s LYS 53 N -4.30 4.13 0.00 1.61 2.36 -1.26 -1.54 119.74 120.74 1a2u s LYS 53 Ca 0.54 2.57 0.00 0.00 -2.55 0.00 0.00 55.97 56.53 1a2u s LYS 53 Cb -0.10 -3.03 0.00 0.00 -1.05 0.00 0.00 37.83 33.64 1a2u s LYS 53 CO 0.37 -0.64 0.00 0.66 1.55 0.00 0.00 175.35 177.29 1a2u n TYR 54 N 2.39 0.00 0.26 4.03 4.01 -1.26 -4.76 117.16 121.83 1a2u n TYR 54 Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 1a2u n TYR 54 Cb 0.37 -0.05 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 1a2u n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1a2u h GLY 55 N 0.00 -0.69 1.84 2.72 0.00 -1.52 0.39 103.07 105.81 1a2u h GLY 55 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1a2u h GLY 55 CO 0.00 -0.26 -0.13 -2.55 0.00 0.00 0.00 176.54 173.60 1a2u h PRO 56 N -0.66 0.20 -0.07 4.80 0.11 -1.88 -1.19 132.00 133.31 1a2u h PRO 56 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1a2u h PRO 56 Cb 0.53 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1a2u h PRO 56 CO 0.07 0.34 -0.01 0.93 -0.21 0.00 0.00 178.00 179.12 1a2u h GLU 57 N 0.19 0.13 -0.58 1.05 3.07 -1.83 -2.11 114.58 114.50 1a2u h GLU 57 Ca 0.04 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a2u h GLU 57 Cb 0.36 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1a2u h GLU 57 CO 0.02 0.44 0.38 0.00 -1.40 0.00 0.00 179.01 178.45 1a2u h ALA 58 N 0.68 0.74 -0.60 3.43 0.00 0.07 -0.74 119.26 122.83 1a2u h ALA 58 Ca 0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a2u h ALA 58 Cb 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1a2u h ALA 58 CO 0.01 0.19 0.36 0.77 0.00 0.00 0.00 179.25 180.57 1a2u h SER 59 N 0.79 0.58 -0.51 0.00 0.02 -1.18 -2.20 113.55 111.04 1a2u h SER 59 Ca 0.21 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1a2u h SER 59 Cb -0.07 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1a2u h SER 59 CO -0.04 0.40 0.09 0.00 -1.14 0.00 0.00 176.83 176.14 1a2u h ALA 60 N 1.27 0.68 0.03 3.77 0.00 -0.79 -0.91 119.26 123.31 1a2u h ALA 60 Ca 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a2u h ALA 60 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1a2u h ALA 60 CO -0.11 0.41 -0.07 0.35 0.00 0.00 0.00 179.25 179.83 1a2u h PHE 61 N 0.73 -0.18 0.02 0.00 3.57 -0.88 -1.08 116.94 119.11 1a2u h PHE 61 Ca 0.16 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1a2u h PHE 61 Cb 0.39 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1a2u h PHE 61 CO 0.03 -0.11 -0.01 1.15 -2.23 0.00 0.00 178.31 177.14 1a2u h THR 62 N -0.14 1.00 -0.10 4.41 2.02 -1.30 -1.73 112.91 117.08 1a2u h THR 62 Ca 0.02 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1a2u h THR 62 Cb 0.16 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1a2u h THR 62 CO -0.06 0.02 -0.20 0.50 0.37 0.00 0.00 175.52 176.15 1a2u h LYS 63 N -0.05 -0.26 -0.06 6.66 3.64 -1.06 0.38 116.57 125.81 1a2u h LYS 63 Ca -0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1a2u h LYS 63 Cb 0.05 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1a2u h LYS 63 CO 0.00 -0.17 -0.15 0.87 -2.27 0.00 0.00 179.45 177.73 1a2u h LYS 64 N -0.27 -0.20 -0.63 1.90 1.79 -1.09 -0.43 116.57 117.63 1a2u h LYS 64 Ca 0.09 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1a2u h LYS 64 Cb 0.40 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1a2u h LYS 64 CO -0.25 -0.14 0.34 1.98 -1.08 0.00 0.00 179.45 180.30 1a2u h MET 65 N -0.21 0.61 0.00 3.15 4.05 -0.85 -1.87 114.93 119.82 1a2u h MET 65 Ca 0.07 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.30 1a2u h MET 65 Cb 0.31 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1a2u h MET 65 CO -0.19 0.41 -0.86 -0.39 0.23 0.00 0.00 176.91 176.11 1a2u h VAL 66 N 0.63 0.97 0.00 -5.77 -1.51 -0.69 -3.25 116.25 106.63 1a2u h VAL 66 Ca 0.28 -2.45 -0.12 0.00 -1.23 0.00 0.00 66.70 63.17 1a2u h VAL 66 Cb 0.18 2.43 -0.02 0.00 -2.13 0.00 0.00 31.29 31.76 1a2u h VAL 66 CO -0.18 0.55 -0.59 -0.33 -1.23 0.00 0.00 177.57 175.79 1a2u h GLU 67 N 0.00 0.00 -0.28 5.19 5.08 -0.84 -3.21 114.58 120.53 1a2u h GLU 67 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a2u h GLU 67 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1a2u h GLU 67 CO 0.08 0.59 0.00 0.09 -1.00 0.00 0.00 179.01 178.77 1a2u n ASN 68 N -3.28 2.57 -4.82 1.42 5.03 -0.72 -4.94 115.26 110.51 1a2u n ASN 68 Ca 0.01 -1.86 -0.34 0.00 0.87 0.00 0.00 54.58 53.26 1a2u n ASN 68 Cb 0.76 -0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 39.27 1a2u n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a2u s ALA 69 N -1.64 3.23 -0.05 5.41 0.00 -1.21 -4.97 121.76 122.52 1a2u s ALA 69 Ca 0.35 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1a2u s ALA 69 Cb 0.20 -2.99 -0.26 0.00 0.00 0.00 0.00 23.12 20.08 1a2u s ALA 69 CO 0.29 0.24 0.63 0.87 0.00 0.00 0.00 175.76 177.78 1a2u h LYS 70 N 2.58 0.17 -4.58 0.00 1.57 -1.92 -3.47 116.57 110.92 1a2u h LYS 70 Ca -0.48 -0.29 -0.43 0.00 -1.87 0.00 0.00 60.65 57.58 1a2u h LYS 70 Cb 1.18 0.11 -0.31 0.00 0.08 0.00 0.00 32.23 33.29 1a2u h LYS 70 CO 0.64 0.94 -0.79 0.15 -0.57 0.00 0.00 179.45 179.83 1a2u s LYS 71 N -2.59 0.96 0.00 3.15 1.02 -1.26 -5.04 119.74 115.99 1a2u s LYS 71 Ca -0.12 -0.30 0.08 0.00 0.02 0.00 0.00 55.97 55.64 1a2u s LYS 71 Cb 0.07 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1a2u s LYS 71 CO 0.82 0.11 -0.24 0.42 -0.92 0.00 0.00 175.35 175.54 1a2u s ILE 72 N 0.20 1.90 0.01 2.17 1.01 -1.26 -1.05 121.20 124.19 1a2u s ILE 72 Ca -0.03 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.52 1a2u s ILE 72 Cb -0.09 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1a2u s ILE 72 CO 0.00 0.46 -0.04 -1.61 0.00 0.00 0.00 174.94 173.75 1a2u s GLU 73 N -0.77 0.31 -0.01 2.79 2.02 -0.73 -2.12 118.70 120.21 1a2u s GLU 73 Ca 0.09 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.78 1a2u s GLU 73 Cb -0.09 -0.18 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 1a2u s GLU 73 CO 0.00 0.04 -0.11 0.14 0.02 0.00 0.00 175.26 175.35 1a2u s VAL 74 N -0.62 3.36 -0.25 2.63 -7.23 0.79 -0.99 120.40 118.09 1a2u s VAL 74 Ca -0.05 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 1a2u s VAL 74 Cb -0.05 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.55 1a2u s VAL 74 CO -0.00 0.44 0.08 -0.70 -0.31 0.00 0.00 175.10 174.60 1a2u s GLU 75 N -1.24 0.56 0.63 4.82 2.12 0.29 -0.62 118.70 125.27 1a2u s GLU 75 Ca 0.15 -0.63 -0.14 0.00 0.36 0.00 0.00 54.97 54.71 1a2u s GLU 75 Cb -0.11 -1.88 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1a2u s GLU 75 CO 0.05 -0.82 1.05 -0.06 -0.54 0.00 0.00 175.26 174.94 1a2u s PHE 76 N 1.84 3.06 0.00 5.30 0.08 -1.26 -0.64 117.98 126.37 1a2u s PHE 76 Ca 0.04 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1a2u s PHE 76 Cb -0.17 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.34 1a2u s PHE 76 CO -0.19 -1.13 0.00 -3.47 -0.10 0.00 0.00 175.22 170.33 1a2u n ASP 77 N -2.48 0.00 -0.45 1.36 -0.08 -1.26 -4.62 116.55 109.02 1a2u n ASP 77 Ca 0.08 -0.41 0.13 0.00 -1.51 0.00 0.00 54.79 53.09 1a2u n ASP 77 Cb 0.53 0.00 0.43 0.00 2.34 0.00 0.00 41.12 44.42 1a2u n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1a2u n LYS 78 N -0.41 1.46 0.00 -0.67 2.85 -1.26 -4.90 118.16 115.24 1a2u n LYS 78 Ca 0.00 -0.90 0.00 0.00 -1.05 0.00 0.00 58.31 56.36 1a2u n LYS 78 Cb 0.00 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1a2u n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a2u n GLY 79 N 1.24 2.89 3.76 2.58 0.00 -1.26 -4.95 105.19 109.45 1a2u n GLY 79 Ca 0.16 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1a2u n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a2u s GLN 80 N 4.88 3.70 0.00 1.61 0.00 -1.26 -4.94 119.66 123.65 1a2u s GLN 80 Ca 0.00 2.12 0.23 0.00 -0.00 0.00 0.00 55.36 57.71 1a2u s GLN 80 Cb 0.00 -2.56 0.08 0.00 0.00 0.00 0.00 33.01 30.53 1a2u s GLN 80 CO 0.00 -0.70 1.13 0.54 0.00 0.00 0.00 175.29 176.26 1a2u n ARG 81 N -0.31 0.84 -4.05 9.60 1.74 -1.26 -4.79 116.66 118.43 1a2u n ARG 81 Ca 0.06 -0.67 -0.11 0.00 -0.77 0.00 0.00 57.85 56.37 1a2u n ARG 81 Cb 0.45 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 1a2u n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a2u s THR 82 N -2.62 0.38 0.60 0.55 -4.23 -1.26 -0.06 115.64 109.00 1a2u s THR 82 Ca 0.17 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 1a2u s THR 82 Cb 0.18 -0.77 0.11 0.00 1.34 0.00 0.00 72.50 73.36 1a2u s THR 82 CO 0.64 -0.58 0.83 -0.90 -0.54 0.00 0.00 174.62 174.07 1a2u n ASP 83 N 1.11 1.81 0.25 3.99 5.68 -0.46 -4.88 116.55 124.05 1a2u n ASP 83 Ca -0.20 -2.37 0.18 0.00 -0.50 0.00 0.00 54.79 51.90 1a2u n ASP 83 Cb 0.56 -0.48 0.88 0.00 -1.14 0.00 0.00 41.12 40.95 1a2u n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1a2u h LYS 84 N 0.00 0.00 -0.36 0.11 2.10 -2.02 -0.71 116.57 115.68 1a2u h LYS 84 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1a2u h LYS 84 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1a2u h LYS 84 CO 0.36 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.47 1a2u n TYR 85 N -3.47 0.48 -1.02 0.07 4.01 -1.26 -4.91 117.16 111.06 1a2u n TYR 85 Ca 0.01 -0.24 -0.01 0.00 -0.16 0.00 0.00 57.90 57.50 1a2u n TYR 85 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1a2u n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a2u n GLY 86 N 1.22 0.47 3.77 2.72 0.00 -0.27 -5.02 105.19 108.07 1a2u n GLY 86 Ca 0.16 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1a2u n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2u s ARG 87 N -0.94 4.49 0.20 1.61 0.52 -1.26 -4.79 118.95 118.78 1a2u s ARG 87 Ca 0.00 1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 1a2u s ARG 87 Cb 0.00 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 1a2u s ARG 87 CO 0.00 0.47 1.27 0.20 0.02 0.00 0.00 175.30 177.26 1a2u s GLY 88 N -0.71 2.54 -0.39 -3.53 0.00 -0.26 -1.35 107.32 103.62 1a2u s GLY 88 Ca 0.36 1.06 -0.12 0.00 0.00 0.00 0.00 44.72 46.02 1a2u s GLY 88 CO 0.24 2.00 0.23 1.08 0.00 0.00 0.00 173.10 176.65 1a2u s LEU 89 N -0.19 4.86 0.32 0.66 1.43 0.91 -0.62 118.68 126.05 1a2u s LEU 89 Ca 0.55 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 1a2u s LEU 89 Cb -0.35 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1a2u s LEU 89 CO 0.38 -0.42 0.60 0.00 0.23 0.00 0.00 176.35 177.14 1a2u s ALA 90 N 1.57 -0.19 -0.24 4.21 0.00 -1.17 -4.34 121.76 121.60 1a2u s ALA 90 Ca 0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1a2u s ALA 90 Cb -0.20 0.95 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1a2u s ALA 90 CO 0.07 -0.90 0.14 0.71 0.00 0.00 0.00 175.76 175.79 1a2u s TYR 91 N -3.17 3.28 -0.13 0.00 2.02 0.19 -0.95 117.35 118.59 1a2u s TYR 91 Ca 0.22 0.14 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1a2u s TYR 91 Cb -0.03 -2.26 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 1a2u s TYR 91 CO 0.13 0.02 -0.07 0.42 -1.57 0.00 0.00 175.55 174.48 1a2u s ILE 92 N 1.10 3.60 -0.12 2.71 1.01 -1.26 -0.55 121.20 127.69 1a2u s ILE 92 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1a2u s ILE 92 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1a2u s ILE 92 CO 0.05 0.53 -0.08 -0.31 0.00 0.00 0.00 174.94 175.13 1a2u s TYR 93 N 0.10 2.93 -0.29 3.97 1.51 -0.16 -0.32 117.35 125.09 1a2u s TYR 93 Ca -0.03 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1a2u s TYR 93 Cb -0.14 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1a2u s TYR 93 CO 0.03 0.04 -0.01 0.00 -1.11 0.00 0.00 175.55 174.50 1a2u s ALA 94 N -0.03 2.80 -1.41 3.71 0.00 0.10 -1.77 121.76 125.17 1a2u s ALA 94 Ca -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 1a2u s ALA 94 Cb -0.14 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1a2u s ALA 94 CO 0.03 -1.20 0.65 -0.25 0.00 0.00 0.00 175.76 174.99 1a2u n ASP 95 N 4.63 -1.55 0.00 0.00 8.00 -0.21 -0.91 116.55 126.51 1a2u n ASP 95 Ca -0.14 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1a2u n ASP 95 Cb 0.44 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 1a2u n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2u n GLY 96 N -1.73 1.06 3.59 0.44 0.00 -1.26 -5.00 105.19 102.28 1a2u n GLY 96 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1a2u n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2u s LYS 97 N -0.15 3.89 -0.26 1.61 1.02 -0.09 -5.02 119.74 120.75 1a2u s LYS 97 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 1a2u s LYS 97 Cb 0.00 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1a2u s LYS 97 CO 0.00 0.15 1.49 1.41 -0.92 0.00 0.00 175.35 177.48 1a2u s MET 98 N 0.70 3.82 0.27 1.68 1.75 -1.26 0.01 119.30 126.27 1a2u s MET 98 Ca 0.03 1.47 -0.03 0.00 -1.25 0.00 0.00 55.69 55.91 1a2u s MET 98 Cb -0.13 -3.98 0.40 0.00 2.84 0.00 0.00 34.83 33.96 1a2u s MET 98 CO 0.02 -1.25 1.90 0.28 -0.65 0.00 0.00 175.02 175.32 1a2u h VAL 99 N 6.10 1.13 -0.25 10.11 2.07 -1.04 -1.20 116.25 133.17 1a2u h VAL 99 Ca -0.30 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1a2u h VAL 99 Cb 1.13 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1a2u h VAL 99 CO 1.02 0.22 -0.02 0.78 0.02 0.00 0.00 177.57 179.58 1a2u h ASN 100 N 1.19 -0.14 -0.26 0.57 4.21 -1.91 -1.66 115.58 117.58 1a2u h ASN 100 Ca 0.41 0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.90 1a2u h ASN 100 Cb 0.09 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1a2u h ASN 100 CO -0.14 -0.04 -0.13 -0.08 -1.29 0.00 0.00 177.43 175.75 1a2u h GLU 101 N 0.05 0.55 -0.53 0.81 4.22 -1.85 -2.93 114.58 114.89 1a2u h GLU 101 Ca 0.12 -0.24 0.11 0.00 0.08 0.00 0.00 59.36 59.43 1a2u h GLU 101 Cb 0.16 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.30 1a2u h GLU 101 CO -0.22 0.80 -0.16 0.00 -2.18 0.00 0.00 179.01 177.25 1a2u h ALA 102 N 0.73 0.30 -0.46 2.92 0.00 -0.87 0.18 119.26 122.08 1a2u h ALA 102 Ca 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a2u h ALA 102 Cb 0.64 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1a2u h ALA 102 CO 0.04 -0.47 0.23 -0.07 0.00 0.00 0.00 179.25 178.98 1a2u h LEU 103 N -0.03 0.59 -0.54 0.00 3.38 -1.32 -2.61 115.31 114.79 1a2u h LEU 103 Ca 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1a2u h LEU 103 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1a2u h LEU 103 CO -0.56 0.54 0.23 0.58 0.09 0.00 0.00 178.44 179.31 1a2u h VAL 104 N 0.60 1.21 -0.43 1.22 2.07 -1.14 -0.79 116.25 118.99 1a2u h VAL 104 Ca 0.16 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1a2u h VAL 104 Cb 0.10 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1a2u h VAL 104 CO -0.02 0.25 0.29 -0.09 0.02 0.00 0.00 177.57 178.02 1a2u h ARG 105 N 0.73 0.37 -0.01 1.57 9.65 -0.39 -0.95 114.38 125.36 1a2u h ARG 105 Ca 0.18 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1a2u h ARG 105 Cb 0.18 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1a2u h ARG 105 CO -0.02 0.25 -0.07 1.04 2.80 0.00 0.00 179.97 183.97 1a2u n GLN 106 N -4.48 1.21 -2.31 0.20 1.13 -1.01 -4.47 117.38 107.66 1a2u n GLN 106 Ca 0.05 -0.58 -0.08 0.00 -1.94 0.00 0.00 57.00 54.45 1a2u n GLN 106 Cb 0.21 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1a2u n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a2u n GLY 107 N 1.20 0.13 0.63 1.08 0.00 -0.36 -4.25 105.19 103.62 1a2u n GLY 107 Ca 0.18 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1a2u n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a2u n LEU 108 N -1.33 2.45 -3.52 0.99 4.77 -0.32 -0.94 117.00 119.11 1a2u n LEU 108 Ca -0.07 -1.27 -0.14 0.00 -0.03 0.00 0.00 56.01 54.50 1a2u n LEU 108 Cb 0.56 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1a2u n LEU 108 CO 0.13 0.51 0.35 0.00 -1.33 0.00 0.00 177.39 177.05 1a2u s ALA 109 N -1.13 -1.49 0.13 -1.18 0.00 -1.21 -4.40 121.76 112.48 1a2u s ALA 109 Ca 0.20 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.91 1a2u s ALA 109 Cb 0.13 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1a2u s ALA 109 CO 0.18 -0.57 -0.09 0.15 0.00 0.00 0.00 175.76 175.43 1a2u s LYS 110 N -2.68 2.14 -0.15 0.00 1.02 -0.96 -4.51 119.74 114.60 1a2u s LYS 110 Ca -0.04 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 1a2u s LYS 110 Cb -0.00 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1a2u s LYS 110 CO -0.04 0.49 1.29 0.08 -0.92 0.00 0.00 175.35 176.25 1a2u s VAL 111 N -1.37 4.22 0.27 3.17 1.01 -1.26 -1.10 120.40 125.33 1a2u s VAL 111 Ca 0.23 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 1a2u s VAL 111 Cb -0.10 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1a2u s VAL 111 CO 0.15 -0.12 0.37 0.00 0.00 0.00 0.00 175.10 175.50 1a2u s ALA 112 N 3.44 0.55 -1.32 5.51 0.00 -0.68 -4.91 121.76 124.34 1a2u s ALA 112 Ca 0.56 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1a2u s ALA 112 Cb -0.23 1.20 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 1a2u s ALA 112 CO 0.16 -0.76 0.58 0.66 0.00 0.00 0.00 175.76 176.41 1a2u n TYR 113 N -0.42 -1.79 -2.72 0.00 4.01 -1.26 -3.29 117.16 111.68 1a2u n TYR 113 Ca 0.01 0.73 -0.42 0.00 -0.16 0.00 0.00 57.90 58.05 1a2u n TYR 113 Cb 0.63 -3.91 -0.03 0.00 -0.31 0.00 0.00 39.34 35.72 1a2u n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a2u s VAL 114 N -3.77 4.25 -0.19 -0.72 1.01 -1.26 -4.51 120.40 115.21 1a2u s VAL 114 Ca 0.09 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1a2u s VAL 114 Cb -0.03 -4.92 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 1a2u s VAL 114 CO 0.86 -1.74 0.04 -0.31 0.00 0.00 0.00 175.10 173.95 1a2u s TYR 115 N 4.07 3.17 0.45 5.22 2.02 -1.26 -5.06 117.35 125.95 1a2u s TYR 115 Ca 0.39 -0.10 -0.20 0.00 -0.37 0.00 0.00 57.07 56.78 1a2u s TYR 115 Cb -0.03 -2.09 -0.10 0.00 -0.40 0.00 0.00 41.96 39.33 1a2u s TYR 115 CO -0.07 0.01 0.97 0.15 -1.57 0.00 0.00 175.55 175.03 1a2u s LYS 116 N 0.64 4.13 -0.13 -0.62 1.02 -1.26 -0.93 119.74 122.59 1a2u s LYS 116 Ca 0.02 1.14 0.07 0.00 0.02 0.00 0.00 55.97 57.22 1a2u s LYS 116 Cb -0.13 -2.16 0.43 0.00 -0.52 0.00 0.00 37.83 35.44 1a2u s LYS 116 CO 0.02 -0.12 1.17 -0.35 -0.92 0.00 0.00 175.35 175.15 1a2u n PRO 117 N -0.78 2.99 -1.83 -1.68 -0.04 -1.26 -4.99 135.00 127.40 1a2u n PRO 117 Ca 0.07 -1.65 -0.40 0.00 -0.04 0.00 0.00 63.50 61.48 1a2u n PRO 117 Cb 0.54 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 32.10 1a2u n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a2u n ASN 118 N 0.29 7.38 -0.90 3.54 3.02 -0.11 -4.32 115.26 124.17 1a2u n ASN 118 Ca 0.15 -2.95 0.01 0.00 -0.03 0.00 0.00 54.58 51.77 1a2u n ASN 118 Cb 0.77 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1a2u n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1a2u n ASN 119 N 3.01 0.29 -0.32 6.41 6.94 -1.26 -4.44 115.26 125.89 1a2u n ASN 119 Ca 0.62 -1.90 0.16 0.00 -0.02 0.00 0.00 54.58 53.44 1a2u n ASN 119 Cb 0.27 -0.18 0.35 0.00 -2.36 0.00 0.00 39.78 37.87 1a2u n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1a2u h THR 120 N 6.66 0.48 -0.62 5.53 2.02 -1.96 -0.90 112.91 124.13 1a2u h THR 120 Ca -0.13 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1a2u h THR 120 Cb 1.55 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1a2u h THR 120 CO 0.01 0.09 0.00 1.41 0.37 0.00 0.00 175.52 177.40 1a2u n HIS 121 N -4.98 1.68 -0.08 3.16 8.25 -1.26 -4.64 115.22 117.35 1a2u n HIS 121 Ca 0.25 -0.63 -0.07 0.00 -0.26 0.00 0.00 57.72 57.01 1a2u n HIS 121 Cb 0.72 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 1a2u n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1a2u h GLU 122 N 4.00 0.03 -0.26 -0.41 4.81 -1.54 -1.46 114.58 119.75 1a2u h GLU 122 Ca 0.00 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1a2u h GLU 122 Cb 1.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 1a2u h GLU 122 CO 0.32 0.02 -0.21 1.96 -0.73 0.00 0.00 179.01 180.37 1a2u h GLN 123 N 0.03 0.47 0.09 1.92 1.08 -1.82 0.96 115.11 117.84 1a2u h GLN 123 Ca 0.14 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1a2u h GLN 123 Cb 0.20 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1a2u h GLN 123 CO -0.28 0.66 -0.04 1.25 -0.95 0.00 0.00 178.83 179.47 1a2u h HIS 124 N 0.42 -0.11 -0.24 2.96 -0.00 -1.78 -0.67 115.15 115.73 1a2u h HIS 124 Ca 0.07 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 1a2u h HIS 124 Cb 0.61 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1a2u h HIS 124 CO 0.02 0.08 -0.10 -0.07 -0.00 0.00 0.00 177.93 177.86 1a2u h LEU 125 N -0.28 0.37 -0.34 0.26 3.38 -1.10 -2.59 115.31 115.01 1a2u h LEU 125 Ca -0.01 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1a2u h LEU 125 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a2u h LEU 125 CO 0.02 0.51 -0.06 0.03 0.09 0.00 0.00 178.44 179.04 1a2u h ARG 126 N 0.37 0.64 -0.31 1.13 3.08 -0.53 -1.26 114.38 117.50 1a2u h ARG 126 Ca 0.07 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1a2u h ARG 126 Cb 0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1a2u h ARG 126 CO 0.02 0.79 0.11 1.57 -1.07 0.00 0.00 179.97 181.39 1a2u h LYS 127 N 0.43 0.44 -0.07 0.04 2.10 -0.79 -0.65 116.57 118.07 1a2u h LYS 127 Ca 0.09 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 58.53 1a2u h LYS 127 Cb 0.54 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1a2u h LYS 127 CO 0.03 0.39 -0.63 0.77 -2.00 0.00 0.00 179.45 178.01 1a2u h SER 128 N 0.44 0.28 -0.09 7.07 0.02 -1.20 -2.56 113.55 117.52 1a2u h SER 128 Ca 0.11 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 1a2u h SER 128 Cb 0.12 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1a2u h SER 128 CO -0.01 0.83 -0.45 -0.08 -1.14 0.00 0.00 176.83 175.98 1a2u h GLU 129 N 0.18 0.65 -0.79 3.45 4.81 -0.09 -2.13 114.58 120.65 1a2u h GLU 129 Ca -0.01 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1a2u h GLU 129 Cb 1.14 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1a2u h GLU 129 CO 0.10 0.97 0.39 0.00 -0.73 0.00 0.00 179.01 179.73 1a2u h ALA 130 N 0.98 1.02 -0.45 2.92 0.00 -1.00 -0.28 119.26 122.44 1a2u h ALA 130 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1a2u h ALA 130 Cb 0.99 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1a2u h ALA 130 CO 0.09 0.57 0.03 0.37 0.00 0.00 0.00 179.25 180.32 1a2u h GLN 131 N 1.11 0.77 -0.67 0.00 5.75 -1.30 0.89 115.11 121.67 1a2u h GLN 131 Ca 0.27 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 1a2u h GLN 131 Cb 0.10 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1a2u h GLN 131 CO -0.04 0.82 0.17 0.00 -2.65 0.00 0.00 178.83 177.13 1a2u h ALA 132 N 0.93 0.88 -0.03 3.38 0.00 -1.14 -1.09 119.26 122.18 1a2u h ALA 132 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a2u h ALA 132 Cb 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a2u h ALA 132 CO 0.02 0.58 0.01 0.87 0.00 0.00 0.00 179.25 180.73 1a2u h LYS 133 N 0.99 0.04 -0.98 0.00 1.57 -0.85 0.77 116.57 118.11 1a2u h LYS 133 Ca 0.21 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.17 1a2u h LYS 133 Cb 0.35 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 1a2u h LYS 133 CO -0.00 0.19 0.61 -0.22 -0.57 0.00 0.00 179.45 179.47 1a2u h LYS 134 N -0.12 0.68 -0.20 3.15 3.64 -0.63 0.54 116.57 123.63 1a2u h LYS 134 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a2u h LYS 134 Cb 0.17 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1a2u h LYS 134 CO -0.00 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 178.02 1a2u n GLU 135 N -4.69 1.97 -3.87 1.90 1.02 -0.43 -4.96 120.64 111.58 1a2u n GLU 135 Ca 0.22 -1.45 -0.28 0.00 -0.02 0.00 0.00 57.16 55.64 1a2u n GLU 135 Cb 0.59 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1a2u n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a2u n LYS 136 N 0.68 -5.13 -2.68 3.49 4.76 0.19 -4.93 118.16 114.55 1a2u n LYS 136 Ca 0.17 0.58 -0.41 0.00 -2.87 0.00 0.00 58.31 55.78 1a2u n LYS 136 Cb 0.42 -5.33 -0.05 0.00 -1.84 0.00 0.00 35.03 28.24 1a2u n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1a2u s LEU 137 N -7.09 4.52 0.00 -0.35 1.43 0.09 -3.18 118.68 114.11 1a2u s LEU 137 Ca 0.44 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1a2u s LEU 137 Cb -0.22 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1a2u s LEU 137 CO 0.83 -0.07 0.00 0.59 0.23 0.00 0.00 176.35 177.93 1a2u n ASN 138 N 2.48 0.00 -0.19 2.29 3.02 -1.26 0.47 115.26 122.07 1a2u n ASN 138 Ca 0.02 0.00 0.30 0.00 -0.03 0.00 0.00 54.58 54.87 1a2u n ASN 138 Cb 0.48 0.00 0.69 0.00 -0.61 0.00 0.00 39.78 40.34 1a2u n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1a2u h ILE 139 N 0.00 0.30 -0.51 2.41 2.04 -1.34 0.23 117.51 120.64 1a2u h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1a2u h ILE 139 Cb 0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1a2u h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1a2u n TRP 140 N -3.84 0.67 1.27 1.37 7.02 0.17 -5.13 117.44 118.98 1a2u n TRP 140 Ca 0.20 -0.34 0.13 0.00 -1.02 0.00 0.00 57.50 56.48 1a2u n TRP 140 Cb 1.14 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 30.36 1a2u n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54