#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oba s SER -1 N 0.00 7.35 0.45 1.61 0.01 -1.26 -4.74 113.70 117.12 2oba s SER -1 Ca 0.00 2.02 -0.14 0.00 1.31 0.00 0.00 55.95 59.14 2oba s SER -1 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2oba s SER -1 CO 0.00 -0.16 0.88 -2.28 0.41 0.00 0.00 173.24 172.10 2oba s HIS 0 N -0.28 3.45 -0.20 2.43 5.65 -1.26 -0.74 115.29 124.34 2oba s HIS 0 Ca 0.48 1.29 -0.10 0.00 0.25 0.00 0.00 55.06 56.97 2oba s HIS 0 Cb -0.28 -2.64 0.07 0.00 -1.18 0.00 0.00 32.58 28.55 2oba s HIS 0 CO 0.34 -0.22 0.47 -2.00 -0.65 0.00 0.00 174.74 172.68 2oba s GLU 2 N -3.87 0.45 0.07 2.88 2.12 -1.26 -4.99 118.70 114.10 2oba s GLU 2 Ca 0.56 0.90 0.10 0.00 0.36 0.00 0.00 54.97 56.88 2oba s GLU 2 Cb -0.10 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.30 2oba s GLU 2 CO 0.30 -0.16 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.08 2oba s LEU 3 N 1.55 2.21 0.07 2.70 1.43 -0.65 -5.00 118.68 120.99 2oba s LEU 3 Ca -0.09 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2oba s LEU 3 Cb -0.08 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2oba s LEU 3 CO -0.14 0.23 -0.15 0.72 0.23 0.00 0.00 176.35 177.23 2oba s PHE 4 N -0.87 1.32 -0.05 0.29 -0.71 -1.26 -1.27 117.98 115.43 2oba s PHE 4 Ca 0.12 -0.42 0.06 0.00 -1.04 0.00 0.00 56.93 55.64 2oba s PHE 4 Cb -0.10 -0.75 -0.01 0.00 -1.21 0.00 0.00 43.02 40.95 2oba s PHE 4 CO 0.03 0.07 -0.22 0.21 -1.34 0.00 0.00 175.22 173.98 2oba s LYS 5 N -1.57 2.14 -0.07 1.99 2.47 -0.61 -4.97 119.74 119.12 2oba s LYS 5 Ca 0.00 -0.78 0.02 0.00 -1.56 0.00 0.00 55.97 53.66 2oba s LYS 5 Cb -0.09 -1.87 -0.03 0.00 -1.46 0.00 0.00 37.83 34.38 2oba s LYS 5 CO 0.02 0.35 -0.11 -2.00 0.16 0.00 0.00 175.35 173.77 2oba s GLU 6 N -0.15 2.76 0.18 4.03 2.12 -1.26 -0.08 118.70 126.30 2oba s GLU 6 Ca -0.02 -0.64 0.08 0.00 0.36 0.00 0.00 54.97 54.76 2oba s GLU 6 Cb -0.12 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 2oba s GLU 6 CO 0.02 0.57 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.08 2oba s PHE 7 N -0.57 1.79 -0.09 5.30 0.08 0.24 -4.96 117.98 119.78 2oba s PHE 7 Ca 0.08 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.66 2oba s PHE 7 Cb -0.12 -0.87 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 2oba s PHE 7 CO 0.02 0.35 -0.15 0.99 -0.10 0.00 0.00 175.22 176.33 2oba s THR 8 N -2.35 1.42 -0.03 0.64 2.01 -1.26 0.55 115.64 116.62 2oba s THR 8 Ca 0.18 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.63 2oba s THR 8 Cb -0.04 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2oba s THR 8 CO 0.07 0.42 -0.23 0.72 -0.69 0.00 0.00 174.62 174.91 2oba s PHE 9 N 0.78 2.09 -0.49 4.92 -0.71 0.36 -4.97 117.98 119.96 2oba s PHE 9 Ca -0.11 -0.47 -0.16 0.00 -1.04 0.00 0.00 56.93 55.15 2oba s PHE 9 Cb -0.16 -1.36 0.07 0.00 -1.21 0.00 0.00 43.02 40.37 2oba s PHE 9 CO 0.02 -0.09 0.46 -1.21 -1.34 0.00 0.00 175.22 173.07 2oba s GLU 10 N -0.40 3.01 0.08 1.99 0.41 -1.26 -0.50 118.70 122.03 2oba s GLU 10 Ca 0.05 -1.26 0.02 0.00 -0.41 0.00 0.00 54.97 53.37 2oba s GLU 10 Cb -0.10 -4.14 -0.03 0.00 -1.78 0.00 0.00 34.13 28.08 2oba s GLU 10 CO 0.00 -1.10 -0.07 -1.12 -0.49 0.00 0.00 175.26 172.48 2oba s SER 11 N 2.70 1.03 0.08 -0.19 0.01 -0.99 -0.28 113.70 116.06 2oba s SER 11 Ca 0.07 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2oba s SER 11 Cb -0.23 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 2oba s SER 11 CO 0.08 -0.36 0.22 0.00 0.41 0.00 0.00 173.24 173.58 2oba s ALA 12 N -2.73 3.96 0.36 1.44 0.00 -0.72 -1.75 121.76 122.31 2oba s ALA 12 Ca 0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 2oba s ALA 12 Cb -0.01 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.37 2oba s ALA 12 CO -0.03 0.75 0.70 -3.38 0.00 0.00 0.00 175.76 173.80 2oba s HIS 13 N -1.56 0.27 -0.25 0.00 -3.43 0.46 -0.75 115.29 110.03 2oba s HIS 13 Ca 0.34 -0.82 -0.20 0.00 -0.80 0.00 0.00 55.06 53.59 2oba s HIS 13 Cb -0.12 0.61 0.07 0.00 -1.43 0.00 0.00 32.58 31.70 2oba s HIS 13 CO 0.28 -1.41 0.66 0.50 -2.00 0.00 0.00 174.74 172.76 2oba s ARG 14 N -2.77 0.72 -0.31 -0.38 3.52 -1.26 -1.78 118.95 116.69 2oba s ARG 14 Ca 0.18 1.03 -0.16 0.00 -0.13 0.00 0.00 55.73 56.65 2oba s ARG 14 Cb -0.04 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 2oba s ARG 14 CO 0.12 -0.12 0.40 -0.51 -0.81 0.00 0.00 175.30 174.39 2oba s LEU 15 N 0.90 4.25 0.39 -0.88 1.43 0.15 -4.49 118.68 120.43 2oba s LEU 15 Ca -0.04 0.03 0.20 0.00 -1.03 0.00 0.00 54.13 53.29 2oba s LEU 15 Cb -0.05 -2.43 0.72 0.00 0.03 0.00 0.00 46.19 44.45 2oba s LEU 15 CO -0.08 -0.31 1.74 1.55 0.23 0.00 0.00 176.35 179.49 2oba h PRO 16 N 8.34 0.00 -0.31 1.29 0.13 -1.87 -3.35 132.00 136.24 2oba h PRO 16 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 2oba h PRO 16 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2oba h PRO 16 CO 0.69 0.33 -0.00 0.72 -0.23 0.00 0.00 178.00 179.50 2oba n HIS 17 N -3.46 1.03 -3.09 1.56 8.25 -1.26 -4.99 115.22 113.26 2oba n HIS 17 Ca 0.00 -1.15 -0.26 0.00 -0.26 0.00 0.00 57.72 56.05 2oba n HIS 17 Cb 0.50 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.99 5.01 0.77 1.59 -7.23 -1.26 -5.06 120.40 111.25 2oba s VAL 18 Ca 0.43 -0.09 -0.14 0.00 -1.81 0.00 0.00 61.98 60.38 2oba s VAL 18 Cb 0.37 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 33.54 2oba s VAL 18 CO 0.06 -0.61 1.19 -2.84 -0.31 0.00 0.00 175.10 172.58 2oba s PRO 19 N -4.29 1.89 -0.17 4.82 0.02 -1.26 -4.91 135.00 131.10 2oba s PRO 19 Ca 0.44 1.67 -0.40 0.00 0.02 0.00 0.00 61.00 62.73 2oba s PRO 19 Cb -0.10 -1.81 -0.17 0.00 0.02 0.00 0.00 34.50 32.44 2oba s PRO 19 CO 0.38 -2.01 1.55 -1.91 -0.33 0.00 0.00 177.00 174.68 2oba n GLU 20 N -3.12 0.90 -0.01 5.54 2.13 -1.26 -1.92 120.64 122.91 2oba n GLU 20 Ca 0.13 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2oba n GLU 20 Cb 0.51 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2oba n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oba n GLY 21 N 3.43 0.32 3.71 8.31 0.00 -1.26 -5.04 105.19 114.66 2oba n GLY 21 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2oba n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2oba s HIS 22 N -2.11 3.59 0.53 1.61 5.04 -0.81 -4.94 115.29 118.20 2oba s HIS 22 Ca 0.00 1.56 0.28 0.00 -1.54 0.00 0.00 55.06 55.36 2oba s HIS 22 Cb 0.00 -3.23 1.42 0.00 0.04 0.00 0.00 32.58 30.81 2oba s HIS 22 CO 0.00 -0.46 1.93 1.57 -2.34 0.00 0.00 174.74 175.44 2oba h LYS 23 N 6.69 0.03 0.00 2.88 2.10 -1.96 -2.04 116.57 124.26 2oba h LYS 23 Ca -0.41 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2oba h LYS 23 Cb 1.22 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2oba h LYS 23 CO 0.77 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 178.24 2oba h GLY 25 N 4.29 0.00 -2.07 0.00 0.00 -1.52 0.42 103.07 104.19 2oba h GLY 25 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2oba h GLY 25 CO 0.00 0.00 0.33 0.50 0.00 0.00 0.00 176.54 177.37 2oba s ARG 26 N -3.17 4.15 0.08 4.80 0.52 -1.07 -4.64 118.95 119.63 2oba s ARG 26 Ca 0.08 1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 56.03 2oba s ARG 26 Cb 0.10 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 2oba s ARG 26 CO 0.65 -0.06 1.77 -1.17 0.02 0.00 0.00 175.30 176.52 2oba s LEU 27 N -3.35 4.39 0.00 2.53 2.96 -1.26 -4.57 118.68 119.38 2oba s LEU 27 Ca 0.61 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 57.14 2oba s LEU 27 Cb -0.09 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2oba s LEU 27 CO 0.17 -0.97 0.00 0.00 -1.32 0.00 0.00 176.35 174.24 2oba n HIS 28 N 5.95 -0.07 -3.82 5.38 1.44 -0.73 -5.03 115.22 118.34 2oba n HIS 28 Ca 0.17 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.85 2oba n HIS 28 Cb 0.40 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.51 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 -0.10 -0.04 0.08 -1.39 0.00 -1.26 -0.40 107.32 104.21 2oba s GLY 29 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 2oba s GLY 29 CO 0.00 1.29 0.25 0.30 0.00 0.00 0.00 173.10 174.94 2oba s HIS 30 N -2.62 0.02 -0.93 1.90 3.76 -0.72 -4.96 115.29 111.74 2oba s HIS 30 Ca 0.18 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.55 2oba s HIS 30 Cb -0.02 0.04 0.10 0.00 1.11 0.00 0.00 32.58 33.80 2oba s HIS 30 CO 0.04 -0.54 1.22 -1.12 -0.85 0.00 0.00 174.74 173.48 2oba s SER 31 N -2.54 6.54 0.18 1.40 0.01 -1.26 -2.35 113.70 115.67 2oba s SER 31 Ca 0.01 -1.72 -0.30 0.00 1.31 0.00 0.00 55.95 55.24 2oba s SER 31 Cb 0.02 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 2oba s SER 31 CO -0.08 -1.26 1.01 -0.36 0.41 0.00 0.00 173.24 172.96 2oba s PHE 32 N 3.61 3.76 -0.11 2.43 0.08 0.35 -4.73 117.98 123.37 2oba s PHE 32 Ca 0.36 1.75 -0.03 0.00 0.12 0.00 0.00 56.93 59.14 2oba s PHE 32 Cb -0.04 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.24 2oba s PHE 32 CO -0.07 -0.07 -0.01 1.03 -0.10 0.00 0.00 175.22 176.00 2oba s ARG 33 N -0.54 3.22 -0.05 0.44 0.52 -0.58 -0.49 118.95 121.47 2oba s ARG 33 Ca 0.46 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.25 2oba s ARG 33 Cb -0.27 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.37 2oba s ARG 33 CO 0.33 0.55 -0.10 0.54 0.02 0.00 0.00 175.30 176.64 2oba s VAL 34 N -0.47 0.91 -0.16 3.52 0.11 0.19 -1.09 120.40 123.41 2oba s VAL 34 Ca 0.08 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 2oba s VAL 34 Cb -0.12 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2oba s VAL 34 CO 0.02 0.29 -0.00 0.00 -3.33 0.00 0.00 175.10 172.09 2oba s ALA 35 N 0.52 3.17 -0.28 1.54 0.00 0.01 0.82 121.76 127.54 2oba s ALA 35 Ca -0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 2oba s ALA 35 Cb -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 2oba s ALA 35 CO 0.02 0.25 0.17 0.42 0.00 0.00 0.00 175.76 176.62 2oba s ILE 36 N 0.21 5.10 -0.08 0.00 -1.09 0.89 -1.82 121.20 124.40 2oba s ILE 36 Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2oba s ILE 36 Cb -0.13 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2oba s ILE 36 CO 0.02 0.24 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.90 2oba s HIS 37 N 1.73 2.94 0.11 3.97 3.76 0.19 -1.58 115.29 126.41 2oba s HIS 37 Ca 0.07 -0.05 0.09 0.00 -0.15 0.00 0.00 55.06 55.01 2oba s HIS 37 Cb -0.16 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 2oba s HIS 37 CO 0.09 0.26 -0.22 0.96 -0.85 0.00 0.00 174.74 174.98 2oba s ILE 38 N -0.60 1.81 0.10 0.60 -4.36 -0.40 -0.88 121.20 117.47 2oba s ILE 38 Ca 0.09 -1.60 0.09 0.00 -0.26 0.00 0.00 60.65 58.96 2oba s ILE 38 Cb -0.12 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 2oba s ILE 38 CO 0.02 -0.05 -0.22 -1.61 0.24 0.00 0.00 174.94 173.32 2oba s GLU 39 N -1.99 1.20 0.00 0.37 2.02 -0.57 -1.63 118.70 118.10 2oba s GLU 39 Ca 0.08 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2oba s GLU 39 Cb -0.10 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.63 2oba s GLU 39 CO 0.05 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.09 2oba n GLY 40 N 1.11 -1.68 3.76 -1.39 0.00 -1.26 -4.77 105.19 100.96 2oba n GLY 40 Ca -0.19 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 2oba n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oba s GLU 41 N -1.61 4.41 -0.03 1.61 2.02 -1.26 -4.26 118.70 119.57 2oba s GLU 41 Ca 0.00 0.91 -0.29 0.00 0.02 0.00 0.00 54.97 55.61 2oba s GLU 41 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 2oba s GLU 41 CO 0.00 0.35 0.94 0.08 0.02 0.00 0.00 175.26 176.66 2oba s VAL 42 N -0.22 4.88 -0.06 2.63 1.01 0.08 -4.45 120.40 124.27 2oba s VAL 42 Ca 0.35 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.99 2oba s VAL 42 Cb -0.20 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2oba s VAL 42 CO 0.20 0.14 1.23 -0.62 0.00 0.00 0.00 175.10 176.06 2oba s ASP 43 N 1.00 7.01 0.39 3.32 -1.08 -0.96 -4.28 116.67 122.08 2oba s ASP 43 Ca 0.49 1.84 0.06 0.00 -0.52 0.00 0.00 52.55 54.42 2oba s ASP 43 Cb -0.20 -2.56 0.80 0.00 -1.46 0.00 0.00 42.92 39.50 2oba s ASP 43 CO 0.24 -0.62 2.03 -0.65 0.52 0.00 0.00 175.17 176.69 2oba h PRO 44 N 7.59 0.63 0.04 4.34 0.11 -1.95 0.11 132.00 142.89 2oba h PRO 44 Ca -0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2oba h PRO 44 Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2oba h PRO 44 CO 0.89 0.42 -0.02 1.25 -0.21 0.00 0.00 178.00 180.33 2oba h HIS 45 N 0.65 -0.06 0.00 0.65 -0.00 -1.97 -3.37 115.15 111.06 2oba h HIS 45 Ca 0.20 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 2oba h HIS 45 Cb 0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 2oba h HIS 45 CO -0.00 0.58 -0.63 1.79 -0.00 0.00 0.00 177.93 179.67 2oba h THR 46 N -0.90 0.97 -0.11 6.26 1.35 -1.98 -3.47 112.91 115.04 2oba h THR 46 Ca -0.01 -2.39 -0.05 0.00 -0.55 0.00 0.00 66.41 63.42 2oba h THR 46 Cb 0.66 2.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 2oba h THR 46 CO 0.01 0.55 -0.04 0.61 -0.25 0.00 0.00 175.52 176.40 2oba n GLY 47 N 1.25 0.57 3.16 5.82 0.00 0.39 -5.02 105.19 111.36 2oba n GLY 47 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.07 0.72 -0.12 1.61 -2.14 -1.24 -4.87 118.94 110.83 2oba s TRP 48 Ca 0.00 -1.13 -0.23 0.00 2.66 0.00 0.00 56.10 57.40 2oba s TRP 48 Cb 0.00 -0.41 -0.20 0.00 -3.10 0.00 0.00 33.47 29.76 2oba s TRP 48 CO 0.00 -0.51 0.65 0.82 -2.66 0.00 0.00 176.95 175.26 2oba h ILE 49 N 2.90 1.35 -2.76 0.66 2.04 -1.92 -2.54 117.51 117.25 2oba h ILE 49 Ca -0.34 -1.93 -0.13 0.00 1.00 0.00 0.00 64.86 63.46 2oba h ILE 49 Cb 1.19 2.52 -0.25 0.00 -0.74 0.00 0.00 36.82 39.54 2oba h ILE 49 CO 0.59 0.45 -0.28 -0.60 0.00 0.00 0.00 178.15 178.31 2oba s ARG 50 N -2.29 0.42 -0.31 2.37 6.06 -1.26 -4.89 118.95 119.05 2oba s ARG 50 Ca -0.15 0.62 -0.35 0.00 -2.50 0.00 0.00 55.73 53.35 2oba s ARG 50 Cb -0.02 0.12 -0.11 0.00 0.06 0.00 0.00 34.95 35.00 2oba s ARG 50 CO 0.54 -0.09 2.14 -3.47 -2.50 0.00 0.00 175.30 171.91 2oba n ASP 51 N 3.40 2.34 -0.31 -2.12 -0.08 -1.26 -4.85 116.55 113.66 2oba n ASP 51 Ca -0.17 0.49 0.15 0.00 -1.51 0.00 0.00 54.79 53.75 2oba n ASP 51 Cb 0.56 -1.28 0.32 0.00 2.34 0.00 0.00 41.12 43.06 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 11.95 0.24 -0.53 -0.67 0.04 -2.00 -0.90 116.94 125.07 2oba h PHE 52 Ca -0.31 0.06 0.12 0.00 2.80 0.00 0.00 57.97 60.63 2oba h PHE 52 Cb 1.31 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.48 2oba h PHE 52 CO 0.94 -0.32 0.37 0.00 -0.60 0.00 0.00 178.31 178.69 2oba h ALA 53 N 1.87 2.25 -0.08 2.45 0.00 -1.99 0.25 119.26 124.00 2oba h ALA 53 Ca 0.60 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.32 2oba h ALA 53 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2oba h ALA 53 CO -0.76 -0.38 -0.69 0.93 0.00 0.00 0.00 179.25 178.34 2oba h GLU 54 N 0.18 0.37 -0.02 0.00 5.08 -1.55 -2.45 114.58 116.21 2oba h GLU 54 Ca 0.25 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2oba h GLU 54 Cb 0.74 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2oba h GLU 54 CO -0.04 0.92 0.00 0.82 -1.00 0.00 0.00 179.01 179.71 2oba h ILE 55 N 0.26 1.22 -0.87 3.13 2.04 -0.50 -0.64 117.51 122.16 2oba h ILE 55 Ca -0.02 -0.67 0.17 0.00 1.00 0.00 0.00 64.86 65.34 2oba h ILE 55 Cb 1.25 1.64 -0.10 0.00 -0.74 0.00 0.00 36.82 38.87 2oba h ILE 55 CO 0.12 0.18 0.44 0.50 0.00 0.00 0.00 178.15 179.38 2oba h LYS 56 N -0.24 0.56 -0.09 2.37 1.63 -0.98 -1.32 116.57 118.49 2oba h LYS 56 Ca 0.01 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2oba h LYS 56 Cb 0.28 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2oba h LYS 56 CO 0.00 0.37 -0.07 0.00 -3.45 0.00 0.00 179.45 176.30 2oba h ALA 57 N 1.60 0.13 -0.49 5.00 0.00 -1.15 -2.60 119.26 121.76 2oba h ALA 57 Ca 0.50 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2oba h ALA 57 Cb 0.78 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2oba h ALA 57 CO -0.41 -0.06 0.17 0.82 0.00 0.00 0.00 179.25 179.77 2oba h ILE 58 N -0.18 0.82 0.00 0.00 2.04 -0.86 -2.93 117.51 116.41 2oba h ILE 58 Ca 0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2oba h ILE 58 Cb 0.56 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2oba h ILE 58 CO 0.02 0.06 0.00 0.15 0.00 0.00 0.00 178.15 178.38 2oba h PHE 59 N 0.34 0.00 -0.16 1.37 3.57 -1.25 -3.39 116.94 117.42 2oba h PHE 59 Ca 0.24 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 2oba h PHE 59 Cb 0.26 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 2oba h PHE 59 CO -0.17 0.00 -0.38 -0.22 -2.23 0.00 0.00 178.31 175.31 2oba h LYS 60 N 0.00 -0.42 0.00 1.11 3.64 -1.26 -0.83 116.57 118.80 2oba h LYS 60 Ca 0.00 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2oba h LYS 60 Cb 0.56 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2oba h LYS 60 CO 0.00 -0.28 -0.14 -1.00 -2.27 0.00 0.00 179.45 175.76 2oba h PRO 61 N -0.44 0.00 -0.08 1.90 0.13 -1.79 0.56 132.00 132.28 2oba h PRO 61 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.18 2oba h PRO 61 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 2oba h PRO 61 CO -0.40 0.14 -0.10 0.82 -0.23 0.00 0.00 178.00 178.23 2oba h ILE 62 N 0.00 1.38 -0.78 -3.56 2.04 -1.67 -2.77 117.51 112.16 2oba h ILE 62 Ca -0.00 -1.31 0.12 0.00 1.00 0.00 0.00 64.86 64.67 2oba h ILE 62 Cb 0.31 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.39 2oba h ILE 62 CO 0.02 0.37 0.39 0.22 0.00 0.00 0.00 178.15 179.14 2oba h TYR 63 N -0.25 0.69 0.00 1.37 3.20 -0.65 -2.33 116.97 119.00 2oba h TYR 63 Ca 0.01 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2oba h TYR 63 Cb 0.64 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2oba h TYR 63 CO 0.10 0.20 -0.31 0.93 -1.64 0.00 0.00 178.16 177.45 2oba h GLU 64 N 0.61 0.00 -0.43 1.82 5.08 -0.88 -1.19 114.58 119.59 2oba h GLU 64 Ca 0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.67 2oba h GLU 64 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2oba h GLU 64 CO -0.32 0.31 -0.10 1.96 -1.00 0.00 0.00 179.01 179.86 2oba h GLN 65 N 0.00 0.78 0.22 2.33 4.20 -1.13 -3.33 115.11 118.17 2oba h GLN 65 Ca -0.00 -0.25 -0.35 0.00 0.06 0.00 0.00 58.65 58.10 2oba h GLN 65 Cb 0.69 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.43 2oba h GLN 65 CO 0.04 0.85 -1.66 -0.07 -0.67 0.00 0.00 178.83 177.33 2oba h LEU 66 N 0.70 0.71 -9.73 1.46 3.38 -1.26 -3.44 115.31 107.13 2oba h LEU 66 Ca 0.12 -0.93 -0.50 0.00 0.09 0.00 0.00 57.88 56.66 2oba h LEU 66 Cb 0.58 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2oba h LEU 66 CO 0.04 1.77 0.42 -0.62 0.09 0.00 0.00 178.44 180.13 2oba s ASP 67 N -7.41 7.44 -1.53 -0.43 2.15 -0.49 -3.30 116.67 113.10 2oba s ASP 67 Ca -0.13 2.06 -0.07 0.00 0.43 0.00 0.00 52.55 54.84 2oba s ASP 67 Cb 0.05 -2.61 0.06 0.00 -0.30 0.00 0.00 42.92 40.12 2oba s ASP 67 CO 0.89 -0.04 0.55 1.41 -0.17 0.00 0.00 175.17 177.82 2oba n HIS 68 N 1.71 -1.69 -4.04 -5.34 8.25 0.61 -4.94 115.22 109.78 2oba n HIS 68 Ca -0.00 0.77 -0.09 0.00 -0.26 0.00 0.00 57.72 58.13 2oba n HIS 68 Cb 0.46 -3.43 -0.09 0.00 1.12 0.00 0.00 29.99 28.06 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 -3.94 0.25 -0.42 0.41 0.01 -1.21 -5.03 114.94 105.01 2oba s ASN 69 Ca 0.30 -0.99 -0.19 0.00 -0.71 0.00 0.00 52.86 51.27 2oba s ASN 69 Cb -0.16 0.32 0.02 0.00 0.41 0.00 0.00 41.25 41.84 2oba s ASN 69 CO 0.91 -0.74 0.53 -0.47 -1.51 0.00 0.00 177.10 175.81 2oba s TYR 70 N -3.97 3.13 0.26 2.20 5.04 -1.26 -1.76 117.35 120.99 2oba s TYR 70 Ca 0.15 -0.21 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 2oba s TYR 70 Cb 0.06 -3.08 0.48 0.00 0.35 0.00 0.00 41.96 39.77 2oba s TYR 70 CO -0.03 -0.76 1.81 -0.07 -1.34 0.00 0.00 175.55 175.16 2oba h LEU 71 N 9.32 0.76 -2.03 6.97 4.07 -1.27 -2.26 115.31 130.87 2oba h LEU 71 Ca -0.26 0.05 0.09 0.00 0.08 0.00 0.00 57.88 57.84 2oba h LEU 71 Cb 1.11 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 2oba h LEU 71 CO 0.83 0.41 0.23 0.78 -1.08 0.00 0.00 178.44 179.62 2oba h ASN 72 N 0.85 0.00 0.86 -0.43 4.21 -1.78 -1.32 115.58 117.97 2oba h ASN 72 Ca 0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.96 2oba h ASN 72 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2oba h ASN 72 CO -0.27 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.34 2oba n ASP 73 N -4.36 0.42 -4.70 5.81 8.00 -0.85 -4.31 116.55 116.57 2oba n ASP 73 Ca 0.05 0.58 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 2oba n ASP 73 Cb 0.40 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 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 -3.14 4.88 0.15 0.53 1.01 -0.50 -5.00 121.20 119.13 2oba s ILE 74 Ca 0.08 1.86 -0.31 0.00 0.00 0.00 0.00 60.65 62.27 2oba s ILE 74 Cb 0.11 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 38.24 2oba s ILE 74 CO 0.42 0.11 1.80 -2.84 0.00 0.00 0.00 174.94 174.44 2oba s PRO 75 N 1.43 4.13 0.00 2.79 0.02 -1.26 -1.04 135.00 141.06 2oba s PRO 75 Ca 0.46 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.09 2oba s PRO 75 Cb -0.19 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.90 2oba s PRO 75 CO 0.21 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 2oba n GLY 76 N 4.16 0.86 1.25 0.52 0.00 -1.26 -4.92 105.19 105.81 2oba n GLY 76 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 3.72 0.30 0.99 4.77 -0.21 -4.72 117.00 121.86 2oba n LEU 77 Ca 0.00 -4.29 0.19 0.00 -0.03 0.00 0.00 56.01 51.88 2oba n LEU 77 Cb 0.00 -0.44 0.96 0.00 -2.33 0.00 0.00 43.42 41.60 2oba n LEU 77 CO 0.00 1.73 1.09 -0.33 -1.33 0.00 0.00 177.39 178.55 2oba h GLU 78 N 1.54 0.00 -2.47 3.23 3.07 -1.75 -3.18 114.58 115.02 2oba h GLU 78 Ca 0.17 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.43 2oba h GLU 78 Cb 1.25 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.75 2oba h GLU 78 CO 0.35 0.02 -0.78 -1.71 -1.40 0.00 0.00 179.01 175.50 2oba n ASN 79 N -3.24 1.85 -3.40 1.42 5.15 -1.26 -4.67 115.26 111.12 2oba n ASN 79 Ca -0.02 -2.98 -0.39 0.00 -0.60 0.00 0.00 54.58 50.60 2oba n ASN 79 Cb 0.17 -0.66 -0.02 0.00 -0.53 0.00 0.00 39.78 38.73 2oba n ASN 79 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2oba n PRO 80 N 1.76 3.36 -1.38 1.20 -0.04 -1.20 -4.71 135.00 134.00 2oba n PRO 80 Ca 0.25 -2.23 -0.29 0.00 -0.04 0.00 0.00 63.50 61.19 2oba n PRO 80 Cb 0.43 -2.89 0.14 0.00 -0.04 0.00 0.00 33.50 31.14 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 2.55 2.41 0.22 0.52 -4.23 -1.26 -4.82 115.64 111.03 2oba s THR 81 Ca 0.62 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 61.18 2oba s THR 81 Cb 0.16 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.41 2oba s THR 81 CO -0.06 -0.17 1.85 0.28 -0.54 0.00 0.00 174.62 175.98 2oba h SER 82 N -1.51 0.77 -0.03 3.99 0.02 -1.97 0.36 113.55 115.18 2oba h SER 82 Ca -0.51 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.48 2oba h SER 82 Cb 1.31 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 2oba h SER 82 CO 0.59 0.52 -0.21 -0.33 -1.14 0.00 0.00 176.83 176.26 2oba h GLU 83 N 0.91 -0.30 -0.00 3.45 3.07 -1.95 0.17 114.58 119.92 2oba h GLU 83 Ca 0.31 0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.08 2oba h GLU 83 Cb 0.05 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2oba h GLU 83 CO -0.13 -0.20 -0.52 -0.91 -1.40 0.00 0.00 179.01 175.85 2oba h ASN 84 N -0.31 0.01 -0.00 1.42 2.35 -1.78 -2.06 115.58 115.21 2oba h ASN 84 Ca 0.07 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2oba h ASN 84 Cb 0.41 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2oba h ASN 84 CO -0.21 0.53 0.00 -0.07 -1.65 0.00 0.00 177.43 176.03 2oba h LEU 85 N 0.00 0.01 -0.37 1.61 3.38 -0.55 -0.04 115.31 119.35 2oba h LEU 85 Ca -0.00 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2oba h LEU 85 Cb 0.93 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 2oba h LEU 85 CO 0.07 0.09 -0.12 0.00 0.09 0.00 0.00 178.44 178.57 2oba h ARG 87 N -0.04 0.09 -0.42 0.00 2.43 -1.38 -1.12 114.38 113.95 2oba h ARG 87 Ca 0.18 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 2oba h ARG 87 Cb 0.31 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 2oba h ARG 87 CO -0.40 0.44 -0.15 2.35 -1.51 0.00 0.00 179.97 180.71 2oba h TRP 88 N -0.27 -0.34 -0.54 2.20 7.01 -0.84 0.05 115.95 123.22 2oba h TRP 88 Ca 0.01 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.06 2oba h TRP 88 Cb 0.41 0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 2oba h TRP 88 CO 0.06 -0.23 0.35 0.82 -2.79 0.00 0.00 178.44 176.65 2oba h ILE 89 N -0.05 1.15 -0.21 2.65 2.04 -0.87 -2.13 117.51 120.08 2oba h ILE 89 Ca 0.21 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2oba h ILE 89 Cb 0.37 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2oba h ILE 89 CO -0.46 0.14 -0.10 -0.25 0.00 0.00 0.00 178.15 177.48 2oba h TRP 90 N 0.73 -0.23 -0.84 1.37 2.91 -0.56 -1.85 115.95 117.48 2oba h TRP 90 Ca 0.20 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.21 2oba h TRP 90 Cb -0.06 0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 2oba h TRP 90 CO -0.03 -0.15 0.43 1.96 -1.03 0.00 0.00 178.44 179.61 2oba h GLN 91 N -0.07 1.18 -0.09 2.65 4.20 -0.65 0.11 115.11 122.44 2oba h GLN 91 Ca 0.11 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2oba h GLN 91 Cb 0.24 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2oba h GLN 91 CO -0.26 0.89 -0.35 1.96 -0.67 0.00 0.00 178.83 180.40 2oba h GLN 92 N 1.18 0.19 0.01 1.46 1.08 -1.27 -3.39 115.11 114.37 2oba h GLN 92 Ca 0.29 -0.08 -0.39 0.00 -1.45 0.00 0.00 58.65 57.03 2oba h GLN 92 Cb 0.08 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 2oba h GLN 92 CO -0.04 0.52 -2.42 -0.11 -0.95 0.00 0.00 178.83 175.83 2oba n LEU 93 N -4.08 2.69 -0.28 1.46 0.00 -0.71 -4.56 117.00 111.53 2oba n LEU 93 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 56.01 55.97 2oba n LEU 93 Cb 0.43 -0.81 0.21 0.00 0.00 0.00 0.00 43.42 43.25 2oba n LEU 93 CO 0.40 0.89 1.08 0.50 0.00 0.00 0.00 177.39 180.26 2oba h LYS 94 N 0.01 0.56 -0.04 1.96 1.63 -1.18 0.16 116.57 119.66 2oba h LYS 94 Ca -0.56 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.22 2oba h LYS 94 Cb 1.94 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 33.44 2oba h LYS 94 CO -0.06 0.37 0.03 -1.35 -3.45 0.00 0.00 179.45 174.99 2oba h PRO 95 N 0.58 0.00 0.00 1.90 0.11 -1.80 -2.96 132.00 129.83 2oba h PRO 95 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2oba h PRO 95 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2oba h PRO 95 CO -0.36 0.00 -1.31 1.28 -0.21 0.00 0.00 178.00 177.40 2oba n LEU 96 N -4.25 0.51 -3.53 2.35 4.77 -0.35 -4.74 117.00 111.77 2oba n LEU 96 Ca -0.02 -0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.38 2oba n LEU 96 Cb 0.13 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 2oba n LEU 96 CO 0.31 0.13 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.00 2oba s LEU 97 N -3.51 1.67 0.45 2.23 2.96 0.40 -5.02 118.68 117.88 2oba s LEU 97 Ca 0.01 -2.57 0.11 0.00 -0.22 0.00 0.00 54.13 51.46 2oba s LEU 97 Cb 0.13 -0.62 1.02 0.00 0.50 0.00 0.00 46.19 47.23 2oba s LEU 97 CO 0.79 -0.26 2.09 -0.65 -1.32 0.00 0.00 176.35 177.00 2oba h PRO 98 N 6.55 0.29 -0.00 0.98 0.11 -1.85 -1.44 132.00 136.65 2oba h PRO 98 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2oba h PRO 98 Cb 0.94 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2oba h PRO 98 CO 0.36 0.21 -0.00 -0.85 -0.21 0.00 0.00 178.00 177.51 2oba n GLU 99 N -4.49 0.75 -1.64 1.05 0.00 -1.26 -4.84 120.64 110.22 2oba n GLU 99 Ca 0.00 -0.01 -0.52 0.00 0.00 0.00 0.00 57.16 56.63 2oba n GLU 99 Cb 0.09 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.97 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 -1.12 2.16 0.00 -1.84 7.94 -0.54 -1.51 117.00 122.09 2oba n LEU 100 Ca 0.20 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 2oba n LEU 100 Cb 0.17 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 42.89 2oba n LEU 100 CO 0.20 -0.72 -0.25 -1.54 -1.11 0.00 0.00 177.39 173.97 2oba n SER 101 N 3.61 2.55 -3.63 1.96 3.41 -0.06 -4.83 113.62 116.62 2oba n SER 101 Ca 0.20 -0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2oba n SER 101 Cb 0.20 0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 64.85 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 -1.28 0.69 -0.11 4.33 2.20 -1.11 -4.53 119.74 119.92 2oba s LYS 102 Ca 0.00 0.87 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 2oba s LYS 102 Cb 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2oba s LYS 102 CO 0.00 -0.09 -0.23 0.08 -0.36 0.00 0.00 175.35 174.75 2oba s VAL 103 N 0.51 2.12 -0.10 4.02 1.01 -0.34 -0.64 120.40 126.98 2oba s VAL 103 Ca -0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2oba s VAL 103 Cb -0.05 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2oba s VAL 103 CO -0.04 0.55 -0.15 -0.60 0.00 0.00 0.00 175.10 174.86 2oba s ARG 104 N 0.46 2.15 -0.08 2.72 3.52 -0.76 -0.47 118.95 126.48 2oba s ARG 104 Ca -0.16 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 54.95 2oba s ARG 104 Cb -0.17 -1.84 -0.00 0.00 -1.56 0.00 0.00 34.95 31.38 2oba s ARG 104 CO 0.06 -0.06 -0.24 0.08 -0.81 0.00 0.00 175.30 174.33 2oba s VAL 105 N 0.98 2.04 -0.26 7.11 1.01 0.31 -0.81 120.40 130.78 2oba s VAL 105 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2oba s VAL 105 Cb -0.15 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.53 2oba s VAL 105 CO -0.01 0.56 -0.09 -1.00 0.00 0.00 0.00 175.10 174.56 2oba s HIS 106 N 0.16 3.21 0.20 5.22 3.76 -0.25 -0.63 115.29 126.95 2oba s HIS 106 Ca -0.13 -2.09 0.07 0.00 -0.15 0.00 0.00 55.06 52.76 2oba s HIS 106 Cb -0.16 -1.99 0.08 0.00 1.11 0.00 0.00 32.58 31.62 2oba s HIS 106 CO 0.07 -0.84 1.45 1.05 -0.85 0.00 0.00 174.74 175.61 2oba h GLU 107 N 7.86 0.07 -5.18 1.40 4.11 -1.86 -1.55 114.58 119.43 2oba h GLU 107 Ca -0.23 -0.07 -0.47 0.00 0.07 0.00 0.00 59.36 58.66 2oba h GLU 107 Cb 1.06 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 2oba h GLU 107 CO 0.50 0.83 -0.60 0.95 0.07 0.00 0.00 179.01 180.76 2oba s THR 108 N -3.24 1.09 -1.34 -1.06 -4.23 -1.26 -4.36 115.64 101.23 2oba s THR 108 Ca -0.01 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.66 2oba s THR 108 Cb 0.11 -2.75 0.26 0.00 1.34 0.00 0.00 72.50 71.46 2oba s THR 108 CO 0.80 0.00 1.50 0.00 -0.54 0.00 0.00 174.62 176.38 2oba n THR 110 N -1.33 0.69 -4.26 0.00 -2.24 -1.26 -5.07 114.28 100.82 2oba n THR 110 Ca 0.07 -0.72 -0.15 0.00 -2.27 0.00 0.00 64.05 60.99 2oba n THR 110 Cb 0.15 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 2oba n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2oba s SER 111 N -0.81 1.70 -0.24 3.42 1.04 -1.19 -5.15 113.70 112.48 2oba s SER 111 Ca 0.02 -1.07 -0.28 0.00 0.48 0.00 0.00 55.95 55.10 2oba s SER 111 Cb 0.02 0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.30 2oba s SER 111 CO 0.00 -0.40 1.16 -0.83 0.98 0.00 0.00 173.24 174.15 2oba s GLY 112 N -3.19 -0.05 0.02 7.32 0.00 -1.26 -4.34 107.32 105.81 2oba s GLY 112 Ca 0.20 2.64 0.02 0.00 0.00 0.00 0.00 44.72 47.57 2oba s GLY 112 CO 0.02 1.44 -0.06 0.00 0.00 0.00 0.00 173.10 174.51 2oba s GLU 114 N -0.83 -0.03 -0.07 0.00 2.12 -1.26 -0.53 118.70 118.10 2oba s GLU 114 Ca -0.05 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.72 2oba s GLU 114 Cb -0.06 -0.37 0.00 0.00 0.26 0.00 0.00 34.13 33.96 2oba s GLU 114 CO -0.00 -0.29 -0.18 -0.47 -0.54 0.00 0.00 175.26 173.78 2oba s TYR 115 N 1.97 1.97 -0.89 5.30 5.04 0.38 -5.00 117.35 126.11 2oba s TYR 115 Ca 0.01 -0.74 0.12 0.00 -2.44 0.00 0.00 57.07 54.02 2oba s TYR 115 Cb -0.12 -1.36 0.34 0.00 0.35 0.00 0.00 41.96 41.17 2oba s TYR 115 CO -0.04 -0.31 1.28 0.54 -1.34 0.00 0.00 175.55 175.68 2oba n ARG 116 N 3.55 2.89 -0.41 4.97 1.74 -1.26 -1.20 116.66 126.94 2oba n ARG 116 Ca -0.20 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 2oba n ARG 116 Cb 0.52 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.46 0.87 0.93 -0.13 0.00 -1.26 -4.86 105.19 101.21 2oba n GLY 117 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2oba n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66