#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oba n SER -1 N 0.00 0.13 -4.91 1.61 7.64 -1.26 -4.43 113.62 112.41 2oba n SER -1 Ca 0.00 1.14 -0.28 0.00 1.01 0.00 0.00 58.87 60.74 2oba n SER -1 Cb 0.00 -1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 2oba n SER -1 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2oba s HIS 0 N -0.37 3.48 -0.02 1.43 5.65 -1.26 -1.15 115.29 123.05 2oba s HIS 0 Ca 0.76 0.61 0.03 0.00 0.25 0.00 0.00 55.06 56.71 2oba s HIS 0 Cb -1.01 -2.08 -0.00 0.00 -1.18 0.00 0.00 32.58 28.30 2oba s HIS 0 CO 0.55 0.20 -0.09 -2.00 -0.65 0.00 0.00 174.74 172.74 2oba s GLU 2 N -3.51 0.86 0.20 2.88 2.12 -1.26 -5.01 118.70 114.99 2oba s GLU 2 Ca 0.43 -0.33 0.11 0.00 0.36 0.00 0.00 54.97 55.54 2oba s GLU 2 Cb -0.11 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 2oba s GLU 2 CO 0.30 0.17 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.48 2oba s LEU 3 N -0.05 2.60 0.07 2.70 1.02 0.22 -4.97 118.68 120.26 2oba s LEU 3 Ca 0.01 -0.82 -0.09 0.00 0.02 0.00 0.00 54.13 53.25 2oba s LEU 3 Cb -0.06 -1.28 -0.00 0.00 0.02 0.00 0.00 46.19 44.87 2oba s LEU 3 CO -0.00 0.10 0.19 0.72 0.02 0.00 0.00 176.35 177.38 2oba s PHE 4 N -1.80 0.13 -0.04 0.29 -0.71 -1.26 -0.73 117.98 113.86 2oba s PHE 4 Ca 0.23 -0.50 -0.03 0.00 -1.04 0.00 0.00 56.93 55.59 2oba s PHE 4 Cb -0.08 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.69 2oba s PHE 4 CO 0.12 -0.51 0.09 0.21 -1.34 0.00 0.00 175.22 173.80 2oba s LYS 5 N -3.48 0.08 0.03 1.99 2.47 -0.57 -4.97 119.74 115.30 2oba s LYS 5 Ca 0.02 0.19 0.04 0.00 -1.56 0.00 0.00 55.97 54.66 2oba s LYS 5 Cb 0.03 -0.04 -0.04 0.00 -1.46 0.00 0.00 37.83 36.33 2oba s LYS 5 CO -0.09 -0.06 -0.05 -2.00 0.16 0.00 0.00 175.35 173.31 2oba s GLU 6 N 0.42 2.52 0.02 4.03 2.12 -1.26 -0.78 118.70 125.76 2oba s GLU 6 Ca -0.03 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.55 2oba s GLU 6 Cb -0.04 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2oba s GLU 6 CO -0.02 0.58 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.14 2oba s PHE 7 N -1.10 0.75 -0.05 5.30 0.08 -0.23 -5.00 117.98 117.74 2oba s PHE 7 Ca 0.20 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.00 2oba s PHE 7 Cb -0.11 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.84 2oba s PHE 7 CO 0.11 -0.02 -0.07 0.99 -0.10 0.00 0.00 175.22 176.13 2oba s THR 8 N -0.62 3.71 -0.00 0.64 2.01 -1.26 -1.22 115.64 118.90 2oba s THR 8 Ca -0.01 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2oba s THR 8 Cb -0.06 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 2oba s THR 8 CO 0.00 0.55 -0.09 0.72 -0.69 0.00 0.00 174.62 175.12 2oba s PHE 9 N -0.86 0.77 -0.47 4.92 -0.71 0.84 -4.98 117.98 117.48 2oba s PHE 9 Ca 0.14 -0.16 -0.11 0.00 -1.04 0.00 0.00 56.93 55.75 2oba s PHE 9 Cb -0.11 -0.49 0.11 0.00 -1.21 0.00 0.00 43.02 41.32 2oba s PHE 9 CO 0.03 -0.01 0.36 -1.21 -1.34 0.00 0.00 175.22 173.05 2oba s GLU 10 N -0.27 2.66 0.13 1.99 0.41 -1.26 -0.03 118.70 122.33 2oba s GLU 10 Ca 0.03 -1.65 0.04 0.00 -0.41 0.00 0.00 54.97 52.98 2oba s GLU 10 Cb -0.04 -3.99 -0.04 0.00 -1.78 0.00 0.00 34.13 28.28 2oba s GLU 10 CO -0.00 -1.15 -0.09 -1.12 -0.49 0.00 0.00 175.26 172.40 2oba s SER 11 N 2.73 1.59 0.06 -0.19 0.01 -0.92 -0.86 113.70 116.12 2oba s SER 11 Ca 0.04 -1.00 0.01 0.00 1.31 0.00 0.00 55.95 56.31 2oba s SER 11 Cb -0.26 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 2oba s SER 11 CO 0.01 -0.36 0.16 0.00 0.41 0.00 0.00 173.24 173.46 2oba s ALA 12 N -3.35 3.83 0.34 1.44 0.00 -0.84 -1.02 121.76 122.16 2oba s ALA 12 Ca 0.15 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 2oba s ALA 12 Cb 0.03 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.49 2oba s ALA 12 CO -0.01 0.79 0.59 -2.39 0.00 0.00 0.00 175.76 174.74 2oba n HIS 13 N 0.46 -1.86 -3.64 0.00 1.44 -0.08 -1.35 115.22 110.19 2oba n HIS 13 Ca -0.07 -1.84 -0.08 0.00 -2.01 0.00 0.00 57.72 53.72 2oba n HIS 13 Cb 0.51 0.69 -0.07 0.00 0.12 0.00 0.00 29.99 31.24 2oba n HIS 13 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2oba s ARG 14 N -2.35 0.58 -0.28 -1.40 3.52 -1.26 -2.21 118.95 115.56 2oba s ARG 14 Ca 0.19 0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 56.50 2oba s ARG 14 Cb -0.03 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 2oba s ARG 14 CO 0.14 -0.09 0.19 -0.51 -0.81 0.00 0.00 175.30 174.22 2oba s LEU 15 N 0.83 4.03 0.40 -0.88 1.43 -0.69 -4.45 118.68 119.35 2oba s LEU 15 Ca -0.03 0.01 0.24 0.00 -1.03 0.00 0.00 54.13 53.31 2oba s LEU 15 Cb -0.05 -2.13 0.45 0.00 0.03 0.00 0.00 46.19 44.49 2oba s LEU 15 CO -0.10 -0.05 1.65 1.55 0.23 0.00 0.00 176.35 179.63 2oba h PRO 16 N 8.30 0.00 -0.00 1.29 0.13 -1.90 -3.38 132.00 136.44 2oba h PRO 16 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2oba h PRO 16 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2oba h PRO 16 CO 0.56 0.00 -0.68 0.72 -0.23 0.00 0.00 178.00 178.37 2oba n HIS 17 N -2.94 0.00 -1.74 1.56 8.25 -1.26 -4.99 115.22 114.10 2oba n HIS 17 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 2oba n HIS 17 Cb 0.51 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.67 2oba n HIS 17 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2oba s VAL 18 N -2.40 3.08 0.93 1.59 -7.23 -1.26 -5.01 120.40 110.10 2oba s VAL 18 Ca 0.07 0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 60.64 2oba s VAL 18 Cb 0.12 -3.05 0.05 0.00 0.56 0.00 0.00 36.38 34.06 2oba s VAL 18 CO 0.61 -0.30 0.54 -2.65 -0.31 0.00 0.00 175.10 172.99 2oba n PRO 19 N -2.38 -0.27 0.27 4.82 -0.02 -1.26 -4.89 135.00 131.26 2oba n PRO 19 Ca 0.11 -0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.65 2oba n PRO 19 Cb 0.52 -1.94 0.70 0.00 -0.02 0.00 0.00 33.50 32.76 2oba n PRO 19 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2oba h GLU 20 N -1.53 0.00 -0.02 -0.52 4.11 -2.00 -2.05 114.58 112.57 2oba h GLU 20 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2oba h GLU 20 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2oba h GLU 20 CO 0.36 0.02 -0.25 0.41 0.07 0.00 0.00 179.01 179.62 2oba n GLY 21 N -1.41 0.27 3.74 1.06 0.00 -1.26 -5.01 105.19 102.58 2oba n GLY 21 Ca -0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2oba n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2oba n HIS 22 N 0.42 2.69 0.12 1.61 -0.00 -0.77 -4.90 115.22 114.39 2oba n HIS 22 Ca 0.10 0.47 -0.01 0.00 0.46 0.00 0.00 57.72 58.74 2oba n HIS 22 Cb 0.45 -2.49 0.22 0.00 -0.12 0.00 0.00 29.99 28.06 2oba n HIS 22 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 2oba h LYS 23 N 2.97 0.13 0.00 1.57 2.10 -1.95 -2.72 116.57 118.67 2oba h LYS 23 Ca -0.48 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 2oba h LYS 23 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2oba h LYS 23 CO 0.65 0.59 0.00 0.00 -2.00 0.00 0.00 179.45 178.69 2oba n GLY 25 N -0.60 -1.49 3.84 0.00 0.00 -1.03 -1.71 105.19 104.21 2oba n GLY 25 Ca -0.01 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2oba n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oba s ARG 26 N -3.08 4.02 0.04 1.61 0.52 -0.93 -4.58 118.95 116.54 2oba s ARG 26 Ca 0.10 0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 2oba s ARG 26 Cb 0.15 -2.32 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 2oba s ARG 26 CO 0.64 0.02 1.97 -1.17 0.02 0.00 0.00 175.30 176.79 2oba s LEU 27 N -3.31 4.44 0.00 2.53 2.96 -1.26 -4.67 118.68 119.37 2oba s LEU 27 Ca 0.56 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 57.15 2oba s LEU 27 Cb -0.10 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2oba s LEU 27 CO 0.20 -1.06 0.00 0.00 -1.32 0.00 0.00 176.35 174.18 2oba n HIS 28 N 7.54 -0.25 -3.83 5.38 1.44 -0.94 -5.03 115.22 119.54 2oba n HIS 28 Ca 0.20 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.85 2oba n HIS 28 Cb 0.41 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.52 2oba n HIS 28 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2oba s GLY 29 N -0.73 0.01 0.13 -1.39 0.00 -1.26 -0.90 107.32 103.18 2oba s GLY 29 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.26 2oba s GLY 29 CO 0.00 0.08 0.32 0.30 0.00 0.00 0.00 173.10 173.79 2oba s HIS 30 N -3.24 0.08 -1.08 1.90 3.76 -0.19 -4.94 115.29 111.57 2oba s HIS 30 Ca 0.13 -0.46 -0.19 0.00 -0.15 0.00 0.00 55.06 54.40 2oba s HIS 30 Cb -0.05 0.09 0.10 0.00 1.11 0.00 0.00 32.58 33.83 2oba s HIS 30 CO 0.07 -0.68 1.42 -1.12 -0.85 0.00 0.00 174.74 173.57 2oba s SER 31 N -2.88 6.70 0.30 1.40 0.01 -1.26 -2.16 113.70 115.82 2oba s SER 31 Ca 0.08 -2.08 -0.29 0.00 1.31 0.00 0.00 55.95 54.97 2oba s SER 31 Cb 0.03 -2.50 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 2oba s SER 31 CO -0.07 -1.19 1.31 -0.36 0.41 0.00 0.00 173.24 173.34 2oba s PHE 32 N 3.61 3.10 -0.04 2.43 0.08 0.96 -4.79 117.98 123.34 2oba s PHE 32 Ca 0.43 1.36 0.04 0.00 0.12 0.00 0.00 56.93 58.88 2oba s PHE 32 Cb -0.01 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.75 2oba s PHE 32 CO -0.04 -1.89 -0.14 1.03 -0.10 0.00 0.00 175.22 174.07 2oba s ARG 33 N -1.39 2.46 -0.06 0.44 0.52 -0.52 -0.11 118.95 120.28 2oba s ARG 33 Ca 0.51 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2oba s ARG 33 Cb -0.39 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 32.74 2oba s ARG 33 CO 0.49 0.61 -0.04 0.54 0.02 0.00 0.00 175.30 176.93 2oba s VAL 34 N -0.77 0.55 -0.13 3.52 0.11 -0.36 0.39 120.40 123.72 2oba s VAL 34 Ca 0.12 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 2oba s VAL 34 Cb -0.11 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2oba s VAL 34 CO 0.01 0.25 0.04 0.00 -3.33 0.00 0.00 175.10 172.08 2oba s ALA 35 N 1.30 3.41 -0.24 1.54 0.00 0.51 -1.06 121.76 127.22 2oba s ALA 35 Ca -0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 2oba s ALA 35 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 2oba s ALA 35 CO -0.02 0.42 0.03 0.42 0.00 0.00 0.00 175.76 176.61 2oba s ILE 36 N -0.36 3.98 -0.05 0.00 1.01 0.04 -1.77 121.20 124.04 2oba s ILE 36 Ca 0.08 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2oba s ILE 36 Cb -0.12 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 2oba s ILE 36 CO 0.02 0.35 -0.04 -1.00 0.00 0.00 0.00 174.94 174.27 2oba s HIS 37 N 1.56 3.00 0.11 3.97 3.76 -0.07 -1.51 115.29 126.11 2oba s HIS 37 Ca 0.06 0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 2oba s HIS 37 Cb -0.15 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 2oba s HIS 37 CO 0.01 0.39 -0.10 0.96 -0.85 0.00 0.00 174.74 175.15 2oba s ILE 38 N -0.91 1.04 0.04 0.60 -4.36 0.09 -0.83 121.20 116.87 2oba s ILE 38 Ca 0.15 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.81 2oba s ILE 38 Cb -0.11 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.04 2oba s ILE 38 CO 0.04 -0.61 -0.16 -1.61 0.24 0.00 0.00 174.94 172.84 2oba s GLU 39 N -3.09 1.08 -0.00 0.37 2.02 -0.99 -0.61 118.70 117.47 2oba s GLU 39 Ca 0.09 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 2oba s GLU 39 Cb -0.01 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.09 2oba s GLU 39 CO 0.00 0.28 0.01 0.41 0.02 0.00 0.00 175.26 175.99 2oba n GLY 40 N 1.83 0.56 3.88 -1.39 0.00 -1.26 -4.79 105.19 104.02 2oba n GLY 40 Ca -0.18 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2oba n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oba s GLU 41 N -2.00 3.69 0.03 1.61 2.12 -1.26 -4.39 118.70 118.49 2oba s GLU 41 Ca 0.00 0.06 -0.23 0.00 0.36 0.00 0.00 54.97 55.16 2oba s GLU 41 Cb -0.00 -2.95 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 2oba s GLU 41 CO -0.00 0.53 0.70 0.14 -0.54 0.00 0.00 175.26 176.09 2oba s VAL 42 N -1.49 4.79 0.18 3.70 -7.23 -0.30 -4.44 120.40 115.62 2oba s VAL 42 Ca 0.35 1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 61.70 2oba s VAL 42 Cb -0.13 -4.04 -0.08 0.00 0.56 0.00 0.00 36.38 32.69 2oba s VAL 42 CO 0.20 0.39 1.03 -0.62 -0.31 0.00 0.00 175.10 175.79 2oba s ASP 43 N -0.14 7.40 0.46 4.85 2.15 -0.84 -3.39 116.67 127.17 2oba s ASP 43 Ca 0.35 2.00 0.22 0.00 0.43 0.00 0.00 52.55 55.55 2oba s ASP 43 Cb -0.20 -2.60 1.13 0.00 -0.30 0.00 0.00 42.92 40.95 2oba s ASP 43 CO 0.21 -0.10 1.96 -0.65 -0.17 0.00 0.00 175.17 176.42 2oba h PRO 44 N 4.95 0.00 0.00 4.34 0.11 -1.95 -0.91 132.00 138.53 2oba h PRO 44 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2oba h PRO 44 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2oba h PRO 44 CO 0.71 0.21 -0.47 1.25 -0.21 0.00 0.00 178.00 179.49 2oba h HIS 45 N 0.00 0.00 -0.14 0.65 -0.00 -1.97 -3.38 115.15 110.32 2oba h HIS 45 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.25 2oba h HIS 45 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 2oba h HIS 45 CO 0.00 0.27 -0.43 1.79 -0.00 0.00 0.00 177.93 179.55 2oba h THR 46 N -1.00 1.32 0.00 6.26 1.35 -1.99 -3.46 112.91 115.39 2oba h THR 46 Ca -0.05 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 2oba h THR 46 Cb 0.53 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2oba h THR 46 CO -0.03 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2oba n GLY 47 N -0.08 0.62 3.27 5.82 0.00 -0.35 -5.03 105.19 109.44 2oba n GLY 47 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 2oba n GLY 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2oba s TRP 48 N -2.00 1.44 -0.12 1.61 -2.14 -1.25 -4.79 118.94 111.69 2oba s TRP 48 Ca 0.00 -1.41 -0.07 0.00 2.66 0.00 0.00 56.10 57.28 2oba s TRP 48 Cb 0.00 -0.71 -0.04 0.00 -3.10 0.00 0.00 33.47 29.62 2oba s TRP 48 CO 0.00 -0.61 0.00 0.82 -2.66 0.00 0.00 176.95 174.50 2oba h ILE 49 N 2.39 0.18 -1.95 0.66 2.04 -1.94 -2.24 117.51 116.66 2oba h ILE 49 Ca -0.33 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.32 2oba h ILE 49 Cb 1.25 0.37 -0.20 0.00 -0.74 0.00 0.00 36.82 37.50 2oba h ILE 49 CO 0.50 0.06 0.23 0.00 0.00 0.00 0.00 178.15 178.95 2oba s ARG 50 N -1.91 1.00 0.15 2.37 1.70 -1.26 -4.88 118.95 116.12 2oba s ARG 50 Ca -0.09 0.27 -0.34 0.00 -0.47 0.00 0.00 55.73 55.10 2oba s ARG 50 Cb 0.01 0.47 -0.16 0.00 -0.57 0.00 0.00 34.95 34.70 2oba s ARG 50 CO 0.17 -0.31 1.17 -3.47 -1.08 0.00 0.00 175.30 171.78 2oba n ASP 51 N 0.94 1.25 -0.05 -2.89 -0.08 -1.26 -4.84 116.55 109.63 2oba n ASP 51 Ca -0.18 1.14 0.14 0.00 -1.51 0.00 0.00 54.79 54.38 2oba n ASP 51 Cb 0.57 -1.19 0.55 0.00 2.34 0.00 0.00 41.12 43.39 2oba n ASP 51 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2oba h PHE 52 N 3.50 0.32 0.00 -0.67 0.04 -2.00 -1.16 116.94 116.96 2oba h PHE 52 Ca -0.44 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.32 2oba h PHE 52 Cb 1.35 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 2oba h PHE 52 CO 0.55 0.15 -0.10 0.00 -0.60 0.00 0.00 178.31 178.31 2oba h ALA 53 N 1.72 1.08 0.02 2.45 0.00 -2.00 -2.33 119.26 120.20 2oba h ALA 53 Ca 0.26 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 2oba h ALA 53 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2oba h ALA 53 CO -0.06 0.13 -0.99 0.93 0.00 0.00 0.00 179.25 179.26 2oba h GLU 54 N 0.00 0.41 -0.10 0.00 5.08 -1.56 -0.22 114.58 118.19 2oba h GLU 54 Ca -0.00 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2oba h GLU 54 Cb 0.49 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2oba h GLU 54 CO 0.01 1.13 0.04 0.82 -1.00 0.00 0.00 179.01 180.02 2oba h ILE 55 N 0.22 1.12 -0.04 3.13 2.04 -1.43 0.52 117.51 123.07 2oba h ILE 55 Ca -0.09 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.45 2oba h ILE 55 Cb 1.64 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 2oba h ILE 55 CO 0.17 0.11 -0.36 0.50 0.00 0.00 0.00 178.15 178.56 2oba h LYS 56 N 0.02 -0.48 -0.79 2.37 3.64 -1.41 -1.81 116.57 118.11 2oba h LYS 56 Ca 0.03 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 2oba h LYS 56 Cb 0.13 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 2oba h LYS 56 CO -0.00 -0.32 0.37 0.00 -2.27 0.00 0.00 179.45 177.23 2oba h ALA 57 N 0.18 1.14 -0.53 5.00 0.00 -0.85 -1.20 119.26 123.01 2oba h ALA 57 Ca 0.07 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2oba h ALA 57 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2oba h ALA 57 CO -0.31 -0.13 0.14 0.82 0.00 0.00 0.00 179.25 179.77 2oba h ILE 58 N 0.55 1.24 0.00 0.00 2.04 -0.65 -3.18 117.51 117.52 2oba h ILE 58 Ca 0.42 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 2oba h ILE 58 Cb 0.59 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2oba h ILE 58 CO -0.36 0.31 -0.27 0.15 0.00 0.00 0.00 178.15 177.97 2oba h PHE 59 N 0.74 0.00 -0.68 1.37 3.57 -0.58 -3.39 116.94 117.98 2oba h PHE 59 Ca 0.17 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.80 2oba h PHE 59 Cb 0.32 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.93 2oba h PHE 59 CO 0.02 0.27 -0.23 -0.22 -2.23 0.00 0.00 178.31 175.93 2oba h LYS 60 N 0.00 -0.05 -0.51 1.11 3.64 -1.22 0.28 116.57 119.82 2oba h LYS 60 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2oba h LYS 60 Cb 0.92 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 2oba h LYS 60 CO 0.04 -0.03 0.25 -1.35 -2.27 0.00 0.00 179.45 176.08 2oba h PRO 61 N -0.05 0.47 -0.85 1.90 0.11 -1.80 -0.56 132.00 131.21 2oba h PRO 61 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 2oba h PRO 61 Cb 0.53 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 2oba h PRO 61 CO -0.72 0.31 0.51 0.82 -0.21 0.00 0.00 178.00 178.71 2oba h ILE 62 N 0.48 1.24 -0.50 4.15 2.04 -1.49 -2.88 117.51 120.55 2oba h ILE 62 Ca 0.23 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2oba h ILE 62 Cb 0.15 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 2oba h ILE 62 CO -0.17 0.25 0.06 0.22 0.00 0.00 0.00 178.15 178.52 2oba h TYR 63 N 1.18 0.90 -0.52 1.37 3.20 -0.57 -2.81 116.97 119.72 2oba h TYR 63 Ca 0.31 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2oba h TYR 63 Cb -0.04 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 2oba h TYR 63 CO -0.00 0.83 0.22 0.93 -1.64 0.00 0.00 178.16 178.50 2oba h GLU 64 N 0.72 0.75 -1.00 1.82 5.08 -1.00 0.87 114.58 121.82 2oba h GLU 64 Ca 0.15 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2oba h GLU 64 Cb 0.43 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2oba h GLU 64 CO 0.01 0.61 0.65 1.96 -1.00 0.00 0.00 179.01 181.24 2oba h GLN 65 N 0.74 1.22 0.01 2.33 4.20 -1.30 -3.31 115.11 119.01 2oba h GLN 65 Ca 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2oba h GLN 65 Cb 0.13 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2oba h GLN 65 CO -0.02 0.81 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.77 2oba h LEU 66 N 1.26 0.07 -9.77 1.46 4.07 -1.13 -3.44 115.31 107.83 2oba h LEU 66 Ca 0.40 -0.93 -0.51 0.00 0.08 0.00 0.00 57.88 56.93 2oba h LEU 66 Cb 0.00 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.73 2oba h LEU 66 CO -0.12 0.99 0.47 -0.62 -1.08 0.00 0.00 178.44 178.08 2oba s ASP 67 N -6.26 7.28 -1.36 -0.43 2.15 0.23 -3.40 116.67 114.89 2oba s ASP 67 Ca -0.18 2.22 -0.01 0.00 0.43 0.00 0.00 52.55 55.01 2oba s ASP 67 Cb -0.02 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2oba s ASP 67 CO 0.71 -0.15 0.53 1.41 -0.17 0.00 0.00 175.17 177.50 2oba n HIS 68 N 1.47 -1.75 -3.88 -5.34 8.25 -0.04 -4.90 115.22 109.03 2oba n HIS 68 Ca -0.00 0.76 -0.09 0.00 -0.26 0.00 0.00 57.72 58.12 2oba n HIS 68 Cb 0.45 -3.93 -0.06 0.00 1.12 0.00 0.00 29.99 27.57 2oba n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2oba s ASN 69 N -4.32 -0.09 -0.44 0.41 0.01 -1.22 -5.04 114.94 104.25 2oba s ASN 69 Ca 0.03 -0.72 -0.17 0.00 -0.71 0.00 0.00 52.86 51.29 2oba s ASN 69 Cb -0.01 0.51 0.03 0.00 0.41 0.00 0.00 41.25 42.19 2oba s ASN 69 CO 0.86 -0.98 0.47 -0.47 -1.51 0.00 0.00 177.10 175.47 2oba s TYR 70 N -3.93 3.16 0.44 2.20 5.04 -1.26 -1.99 117.35 121.01 2oba s TYR 70 Ca 0.14 -0.47 0.12 0.00 -2.44 0.00 0.00 57.07 54.42 2oba s TYR 70 Cb 0.01 -3.05 1.01 0.00 0.35 0.00 0.00 41.96 40.28 2oba s TYR 70 CO -0.00 -0.77 2.05 -0.07 -1.34 0.00 0.00 175.55 175.41 2oba h LEU 71 N 9.14 0.34 -2.15 6.97 4.07 -1.55 -1.29 115.31 130.84 2oba h LEU 71 Ca -0.27 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2oba h LEU 71 Cb 1.11 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2oba h LEU 71 CO 0.84 0.23 0.00 0.78 -1.08 0.00 0.00 178.44 179.21 2oba h ASN 72 N 0.39 0.00 0.42 -0.43 4.21 -1.80 -2.08 115.58 116.29 2oba h ASN 72 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2oba h ASN 72 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2oba h ASN 72 CO -0.04 0.00 -0.19 0.47 -1.29 0.00 0.00 177.43 176.38 2oba n ASP 73 N -2.84 0.55 -4.66 5.81 8.00 -0.49 -4.40 116.55 118.52 2oba n ASP 73 Ca -0.01 -0.48 -0.41 0.00 0.71 0.00 0.00 54.79 54.60 2oba n ASP 73 Cb 0.13 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 2oba n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2oba s ILE 74 N -2.62 4.93 -0.10 0.53 1.01 -0.78 -5.00 121.20 119.16 2oba s ILE 74 Ca 0.23 1.41 -0.39 0.00 0.00 0.00 0.00 60.65 61.91 2oba s ILE 74 Cb 0.19 -4.05 -0.17 0.00 0.01 0.00 0.00 42.46 38.45 2oba s ILE 74 CO 0.53 0.03 1.49 -2.65 0.00 0.00 0.00 174.94 174.34 2oba n PRO 75 N 5.40 0.98 0.00 2.79 -0.02 -1.26 -1.34 135.00 141.54 2oba n PRO 75 Ca 0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2oba n PRO 75 Cb 0.49 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2oba n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oba n GLY 76 N 3.17 0.87 2.04 -1.23 0.00 -1.26 -4.93 105.19 103.84 2oba n GLY 76 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 2oba n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oba n LEU 77 N 0.00 4.36 0.18 0.99 4.77 -0.45 -4.80 117.00 122.05 2oba n LEU 77 Ca 0.00 -4.47 0.14 0.00 -0.03 0.00 0.00 56.01 51.65 2oba n LEU 77 Cb 0.00 -0.24 0.57 0.00 -2.33 0.00 0.00 43.42 41.41 2oba n LEU 77 CO 0.00 1.92 0.90 -0.33 -1.33 0.00 0.00 177.39 178.56 2oba h GLU 78 N 2.16 0.00 -2.80 3.23 3.07 -1.77 -3.12 114.58 115.35 2oba h GLU 78 Ca 0.28 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.53 2oba h GLU 78 Cb 1.48 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.99 2oba h GLU 78 CO 0.64 0.00 -0.73 1.21 -1.40 0.00 0.00 179.01 178.73 2oba s ASN 79 N -4.69 3.49 -1.55 1.42 2.47 -1.26 -4.61 114.94 110.21 2oba s ASN 79 Ca 0.03 -3.56 -0.10 0.00 0.42 0.00 0.00 52.86 49.65 2oba s ASN 79 Cb 0.09 -1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 38.69 2oba s ASN 79 CO 0.43 -0.12 2.74 -0.81 -3.72 0.00 0.00 177.10 175.62 2oba n PRO 80 N 2.30 3.66 -1.28 0.43 -0.04 -1.18 -4.70 135.00 134.18 2oba n PRO 80 Ca 0.24 -2.46 -0.29 0.00 -0.04 0.00 0.00 63.50 60.95 2oba n PRO 80 Cb 0.40 -2.87 0.19 0.00 -0.04 0.00 0.00 33.50 31.18 2oba n PRO 80 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2oba s THR 81 N 1.92 1.87 0.08 0.52 -4.23 -1.26 -4.81 115.64 109.72 2oba s THR 81 Ca 0.63 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.92 2oba s THR 81 Cb 0.17 -2.59 -0.14 0.00 1.34 0.00 0.00 72.50 71.29 2oba s THR 81 CO -0.07 0.00 1.65 0.28 -0.54 0.00 0.00 174.62 175.94 2oba h SER 82 N -2.03 0.09 -0.47 3.99 0.02 -1.98 -0.52 113.55 112.66 2oba h SER 82 Ca -0.50 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 60.43 2oba h SER 82 Cb 1.31 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.76 2oba h SER 82 CO 0.50 0.17 0.00 -0.33 -1.14 0.00 0.00 176.83 176.03 2oba h GLU 83 N -0.01 0.11 -0.17 3.45 3.07 -1.96 -1.60 114.58 117.47 2oba h GLU 83 Ca 0.02 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 2oba h GLU 83 Cb 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2oba h GLU 83 CO -0.00 0.07 -0.33 -0.91 -1.40 0.00 0.00 179.01 176.45 2oba h ASN 84 N 0.12 0.36 -0.42 1.42 2.35 -1.78 -2.45 115.58 115.17 2oba h ASN 84 Ca 0.23 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 2oba h ASN 84 Cb 0.34 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2oba h ASN 84 CO -0.38 0.67 -0.10 0.25 -1.65 0.00 0.00 177.43 176.21 2oba h LEU 85 N 0.31 0.83 -0.07 1.61 5.85 -0.73 -2.15 115.31 120.96 2oba h LEU 85 Ca 0.04 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2oba h LEU 85 Cb 0.73 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2oba h LEU 85 CO 0.06 1.00 -0.06 0.00 -0.34 0.00 0.00 178.44 179.09 2oba h ARG 87 N -0.07 0.88 0.61 0.00 2.43 -1.44 -1.64 114.38 115.15 2oba h ARG 87 Ca 0.05 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 2oba h ARG 87 Cb 0.15 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2oba h ARG 87 CO -0.12 0.87 -0.29 2.35 -1.51 0.00 0.00 179.97 181.27 2oba h TRP 88 N 0.82 -0.75 -0.75 2.20 7.01 -1.25 0.11 115.95 123.35 2oba h TRP 88 Ca 0.16 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.29 2oba h TRP 88 Cb 0.47 0.25 -0.10 0.00 -2.10 0.00 0.00 29.16 27.68 2oba h TRP 88 CO 0.03 -0.43 0.26 0.82 -2.79 0.00 0.00 178.44 176.33 2oba h ILE 89 N -0.95 0.61 -0.66 2.65 2.04 -1.20 -0.12 117.51 119.88 2oba h ILE 89 Ca -0.08 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2oba h ILE 89 Cb 0.67 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2oba h ILE 89 CO 0.14 0.07 0.43 -0.25 0.00 0.00 0.00 178.15 178.53 2oba h TRP 90 N 0.38 0.81 -0.31 1.37 2.91 -1.16 0.10 115.95 120.05 2oba h TRP 90 Ca 0.41 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.46 2oba h TRP 90 Cb 0.66 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 2oba h TRP 90 CO -0.19 0.49 0.20 1.96 -1.03 0.00 0.00 178.44 179.86 2oba h GLN 91 N 0.86 0.41 -0.79 2.65 4.20 0.03 -1.36 115.11 121.12 2oba h GLN 91 Ca 0.25 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.94 2oba h GLN 91 Cb -0.06 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 2oba h GLN 91 CO -0.07 0.29 0.52 1.96 -0.67 0.00 0.00 178.83 180.86 2oba h GLN 92 N 0.41 1.04 0.02 1.46 7.50 -0.82 -3.36 115.11 121.36 2oba h GLN 92 Ca 0.11 -0.06 -0.37 0.00 0.50 0.00 0.00 58.65 58.83 2oba h GLN 92 Cb -0.02 -0.23 -0.06 0.00 0.05 0.00 0.00 27.48 27.21 2oba h GLN 92 CO -0.02 0.69 -2.26 -0.11 -1.50 0.00 0.00 178.83 175.63 2oba n LEU 93 N -4.41 1.79 -0.25 1.46 7.94 0.33 -4.48 117.00 119.36 2oba n LEU 93 Ca 0.09 0.04 0.03 0.00 -1.11 0.00 0.00 56.01 55.06 2oba n LEU 93 Cb 0.03 -0.41 0.12 0.00 0.53 0.00 0.00 43.42 43.69 2oba n LEU 93 CO 0.36 0.72 0.77 0.50 -1.11 0.00 0.00 177.39 178.64 2oba h LYS 94 N 0.01 0.04 0.00 1.96 1.63 -1.40 -0.61 116.57 118.21 2oba h LYS 94 Ca -0.50 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.27 2oba h LYS 94 Cb 2.04 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.66 2oba h LYS 94 CO 0.00 0.03 -0.13 -1.35 -3.45 0.00 0.00 179.45 174.55 2oba h PRO 95 N 0.04 0.00 0.00 1.90 0.11 -1.79 -2.71 132.00 129.56 2oba h PRO 95 Ca 0.38 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.27 2oba h PRO 95 Cb 0.62 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 2oba h PRO 95 CO -0.71 0.13 -1.28 -0.07 -0.21 0.00 0.00 178.00 175.87 2oba h LEU 96 N 0.00 0.00 -6.46 2.35 3.38 -1.41 -3.42 115.31 109.75 2oba h LEU 96 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2oba h LEU 96 Cb 0.37 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.74 2oba h LEU 96 CO 0.02 0.86 -0.93 -0.22 0.09 0.00 0.00 178.44 178.26 2oba s LEU 97 N -6.27 1.62 0.49 1.67 2.96 -0.53 -5.00 118.68 113.62 2oba s LEU 97 Ca -0.01 -2.99 0.24 0.00 -0.22 0.00 0.00 54.13 51.14 2oba s LEU 97 Cb 0.09 -0.53 1.29 0.00 0.50 0.00 0.00 46.19 47.53 2oba s LEU 97 CO 0.81 -0.19 2.02 -0.65 -1.32 0.00 0.00 176.35 177.03 2oba h PRO 98 N 5.84 0.00 0.00 0.98 0.11 -1.82 -1.81 132.00 135.30 2oba h PRO 98 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2oba h PRO 98 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2oba h PRO 98 CO 0.38 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.48 2oba n GLU 99 N -3.78 0.83 -1.65 1.05 0.00 -1.26 -4.90 120.64 110.93 2oba n GLU 99 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 56.67 2oba n GLU 99 Cb 0.26 -1.36 -0.04 0.00 0.00 0.00 0.00 31.44 30.31 2oba n GLU 99 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2oba n LEU 100 N -0.86 2.66 0.00 -1.84 7.94 -0.68 -2.34 117.00 121.88 2oba n LEU 100 Ca 0.14 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 2oba n LEU 100 Cb 0.06 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.65 2oba n LEU 100 CO 0.11 -0.59 -0.33 -1.54 -1.11 0.00 0.00 177.39 173.93 2oba n SER 101 N 2.75 3.29 -3.64 1.96 3.41 -0.01 -4.87 113.62 116.51 2oba n SER 101 Ca 0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2oba n SER 101 Cb 0.27 0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 64.77 2oba n SER 101 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2oba s LYS 102 N -1.36 0.64 -0.08 4.33 2.20 -1.17 -4.55 119.74 119.74 2oba s LYS 102 Ca 0.00 0.90 0.03 0.00 -0.36 0.00 0.00 55.97 56.54 2oba s LYS 102 Cb 0.00 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2oba s LYS 102 CO 0.00 -0.10 -0.19 0.08 -0.36 0.00 0.00 175.35 174.78 2oba s VAL 103 N 0.87 2.59 -0.09 4.02 1.01 -0.30 -0.89 120.40 127.61 2oba s VAL 103 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2oba s VAL 103 Cb -0.05 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2oba s VAL 103 CO -0.10 0.56 -0.12 -0.60 0.00 0.00 0.00 175.10 174.85 2oba s ARG 104 N -0.06 1.75 -0.07 2.72 3.52 -0.73 -0.47 118.95 125.62 2oba s ARG 104 Ca -0.05 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.21 2oba s ARG 104 Cb -0.14 -1.55 -0.01 0.00 -1.56 0.00 0.00 34.95 31.69 2oba s ARG 104 CO 0.04 -0.07 -0.24 0.08 -0.81 0.00 0.00 175.30 174.31 2oba s VAL 105 N 1.01 1.97 -0.29 7.11 1.01 0.37 -0.36 120.40 131.21 2oba s VAL 105 Ca -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2oba s VAL 105 Cb -0.15 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.63 2oba s VAL 105 CO -0.01 0.55 -0.05 -1.00 0.00 0.00 0.00 175.10 174.59 2oba s HIS 106 N 0.01 3.41 0.15 5.22 0.09 0.16 0.08 115.29 124.40 2oba s HIS 106 Ca -0.08 -2.45 -0.15 0.00 -0.00 0.00 0.00 55.06 52.38 2oba s HIS 106 Cb -0.15 -2.24 0.02 0.00 -0.00 0.00 0.00 32.58 30.21 2oba s HIS 106 CO 0.05 -0.89 1.72 1.49 -0.00 0.00 0.00 174.74 177.10 2oba h GLU 107 N 7.76 0.66 -5.04 1.40 4.81 -1.84 -1.39 114.58 120.95 2oba h GLU 107 Ca -0.15 -0.10 -0.49 0.00 -0.13 0.00 0.00 59.36 58.48 2oba h GLU 107 Cb 1.04 -0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.17 2oba h GLU 107 CO 0.49 0.57 -0.55 0.95 -0.73 0.00 0.00 179.01 179.74 2oba s THR 108 N -5.67 0.68 0.56 0.32 -4.23 -1.26 -4.51 115.64 101.54 2oba s THR 108 Ca -0.13 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 58.81 2oba s THR 108 Cb 0.11 -2.51 0.44 0.00 1.34 0.00 0.00 72.50 71.87 2oba s THR 108 CO 0.76 0.00 2.30 0.00 -0.54 0.00 0.00 174.62 177.14 2oba n THR 110 N -3.07 1.46 -4.13 0.00 -2.24 -1.26 -5.04 114.28 100.00 2oba n THR 110 Ca -0.02 -1.55 -0.14 0.00 -2.27 0.00 0.00 64.05 60.06 2oba n THR 110 Cb 0.11 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 2oba n THR 110 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2oba n SER 111 N -0.71 -0.80 0.00 3.42 3.41 -1.19 -5.14 113.62 112.61 2oba n SER 111 Ca 0.09 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 2oba n SER 111 Cb 0.48 1.67 0.00 0.00 -0.26 0.00 0.00 64.21 66.10 2oba n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oba n GLY 112 N -0.50 2.84 2.98 5.00 0.00 -1.26 -4.38 105.19 109.88 2oba n GLY 112 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2oba n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oba s GLU 114 N -0.33 1.57 -0.06 0.00 2.12 -1.26 -0.48 118.70 120.26 2oba s GLU 114 Ca 0.01 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2oba s GLU 114 Cb -0.03 -1.32 0.01 0.00 0.26 0.00 0.00 34.13 33.05 2oba s GLU 114 CO -0.00 0.05 -0.11 -0.47 -0.54 0.00 0.00 175.26 174.20 2oba s TYR 115 N 0.56 1.29 -0.18 5.30 5.04 0.38 -5.00 117.35 124.74 2oba s TYR 115 Ca -0.12 -0.45 0.16 0.00 -2.44 0.00 0.00 57.07 54.23 2oba s TYR 115 Cb -0.14 -0.96 0.48 0.00 0.35 0.00 0.00 41.96 41.69 2oba s TYR 115 CO 0.03 -0.24 1.38 0.54 -1.34 0.00 0.00 175.55 175.92 2oba n ARG 116 N 3.80 2.48 -0.90 4.97 1.74 -1.26 -1.14 116.66 126.34 2oba n ARG 116 Ca -0.23 -2.84 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 2oba n ARG 116 Cb 0.52 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2oba n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oba n GLY 117 N -0.76 0.41 0.00 -0.13 0.00 -1.26 -4.89 105.19 98.56 2oba n GLY 117 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 2oba n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66