#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq8 h ALA 10 N 0.00 2.38 -0.04 -1.39 0.00 -2.05 -0.72 119.26 117.44 1aq8 h ALA 10 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1aq8 h ALA 10 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1aq8 h ALA 10 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1aq8 n ALA 11 N -2.56 2.59 -1.78 0.00 0.00 -1.26 -4.93 120.51 112.57 1aq8 n ALA 11 Ca 0.09 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1aq8 n ALA 11 Cb 0.60 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1aq8 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aq8 s LEU 12 N -1.91 4.07 0.29 0.00 1.43 -0.28 -4.99 118.68 117.30 1aq8 s LEU 12 Ca 0.38 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 1aq8 s LEU 12 Cb 0.20 -4.24 -0.10 0.00 0.03 0.00 0.00 46.19 42.08 1aq8 s LEU 12 CO 0.32 -0.64 1.39 -2.84 0.23 0.00 0.00 176.35 174.81 1aq8 s PRO 13 N -2.63 4.29 -0.16 1.29 0.02 -1.26 -4.73 135.00 131.82 1aq8 s PRO 13 Ca 0.60 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.84 1aq8 s PRO 13 Cb -0.23 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 1aq8 s PRO 13 CO 0.28 -0.33 0.09 1.03 -0.33 0.00 0.00 177.00 177.75 1aq8 s ARG 14 N -1.11 3.76 -0.07 5.54 3.00 -1.26 -0.42 118.95 128.39 1aq8 s ARG 14 Ca 0.54 -0.26 -0.02 0.00 0.00 0.00 0.00 55.73 55.99 1aq8 s ARG 14 Cb -0.41 -3.21 0.03 0.00 0.00 0.00 0.00 34.95 31.36 1aq8 s ARG 14 CO 0.49 0.47 0.03 -1.14 0.00 0.00 0.00 175.30 175.15 1aq8 s GLN 15 N -0.18 0.30 -0.00 3.54 0.74 -0.43 -4.95 119.66 118.68 1aq8 s GLN 15 Ca 0.09 0.20 -0.23 0.00 0.05 0.00 0.00 55.36 55.47 1aq8 s GLN 15 Cb -0.12 -0.84 -0.05 0.00 1.10 0.00 0.00 33.01 33.10 1aq8 s GLN 15 CO 0.01 -0.34 0.67 0.15 -0.55 0.00 0.00 175.29 175.24 1aq8 s LYS 16 N 2.06 4.41 -0.07 1.67 1.02 -1.26 -0.03 119.74 127.53 1aq8 s LYS 16 Ca 0.05 0.87 0.04 0.00 0.02 0.00 0.00 55.97 56.95 1aq8 s LYS 16 Cb -0.12 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1aq8 s LYS 16 CO -0.05 0.27 -0.19 0.08 -0.92 0.00 0.00 175.35 174.54 1aq8 s VAL 17 N 0.09 2.56 -0.24 3.17 1.01 -0.66 -4.92 120.40 121.41 1aq8 s VAL 17 Ca 0.35 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1aq8 s VAL 17 Cb -0.19 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1aq8 s VAL 17 CO 0.19 0.56 0.67 -1.61 0.00 0.00 0.00 175.10 174.92 1aq8 s GLU 18 N -0.17 4.14 0.58 2.72 2.02 -1.26 -4.74 118.70 121.98 1aq8 s GLU 18 Ca -0.02 0.64 -0.13 0.00 0.02 0.00 0.00 54.97 55.48 1aq8 s GLU 18 Cb -0.14 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 1aq8 s GLU 18 CO 0.03 -0.41 1.02 -0.51 0.02 0.00 0.00 175.26 175.41 1aq8 s LEU 19 N 2.49 3.38 0.05 1.80 1.43 -1.26 -4.63 118.68 121.94 1aq8 s LEU 19 Ca 0.28 1.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.93 1aq8 s LEU 19 Cb -0.15 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 1aq8 s LEU 19 CO 0.08 -0.79 -0.15 0.68 0.23 0.00 0.00 176.35 176.40 1aq8 s VAL 20 N -2.95 1.18 0.31 -1.59 -7.23 -1.26 -4.97 120.40 103.89 1aq8 s VAL 20 Ca 0.57 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 1aq8 s VAL 20 Cb -0.11 -1.08 -0.10 0.00 0.56 0.00 0.00 36.38 35.65 1aq8 s VAL 20 CO 0.45 -0.02 1.27 -1.81 -0.31 0.00 0.00 175.10 174.68 1aq8 s ASP 21 N -1.27 6.87 0.90 4.85 1.01 -1.26 -4.52 116.67 123.24 1aq8 s ASP 21 Ca 0.02 2.60 -0.10 0.00 0.71 0.00 0.00 52.55 55.77 1aq8 s ASP 21 Cb -0.08 -2.64 0.14 0.00 1.01 0.00 0.00 42.92 41.34 1aq8 s ASP 21 CO 0.02 -0.47 1.13 -2.16 0.21 0.00 0.00 175.17 173.90 1aq8 s PRO 22 N -1.61 1.15 0.00 8.23 0.04 -1.26 -2.57 135.00 138.98 1aq8 s PRO 22 Ca 0.49 1.41 0.20 0.00 0.04 0.00 0.00 61.00 63.13 1aq8 s PRO 22 Cb -0.38 -1.75 1.18 0.00 0.04 0.00 0.00 34.50 33.58 1aq8 s PRO 22 CO 0.50 -2.49 1.63 -0.35 0.04 0.00 0.00 177.00 176.33 1aq8 n PRO 23 N -4.13 0.80 -2.24 0.56 -0.04 -1.26 -5.04 135.00 123.66 1aq8 n PRO 23 Ca 0.11 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 1aq8 n PRO 23 Cb 0.52 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1aq8 n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1aq8 s PHE 24 N -2.00 3.52 0.07 0.54 0.40 -1.06 -0.39 117.98 119.06 1aq8 s PHE 24 Ca 0.30 1.36 0.09 0.00 -0.60 0.00 0.00 56.93 58.08 1aq8 s PHE 24 Cb 0.14 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1aq8 s PHE 24 CO 0.23 -0.47 -0.26 0.08 0.70 0.00 0.00 175.22 175.50 1aq8 s VAL 25 N -2.81 2.11 0.93 -0.44 1.01 -1.26 -4.59 120.40 115.34 1aq8 s VAL 25 Ca 0.57 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1aq8 s VAL 25 Cb -0.10 -1.82 0.15 0.00 0.00 0.00 0.00 36.38 34.60 1aq8 s VAL 25 CO 0.40 0.28 1.09 -1.38 0.00 0.00 0.00 175.10 175.49 1aq8 s HIS 26 N -0.87 2.14 0.28 5.22 -3.43 -1.26 -4.89 115.29 112.47 1aq8 s HIS 26 Ca 0.12 1.31 -0.30 0.00 -0.80 0.00 0.00 55.06 55.39 1aq8 s HIS 26 Cb -0.10 -3.17 -0.13 0.00 -1.43 0.00 0.00 32.58 27.76 1aq8 s HIS 26 CO 0.03 -2.60 1.45 0.00 -2.00 0.00 0.00 174.74 171.62 1aq8 n ALA 27 N -4.03 1.61 -3.62 -1.38 0.00 -1.26 -4.98 120.51 106.84 1aq8 n ALA 27 Ca 0.07 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 1aq8 n ALA 27 Cb 0.55 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1aq8 n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1aq8 s HIS 28 N -0.25 -0.20 -0.07 0.00 -3.43 -1.26 -5.02 115.29 105.06 1aq8 s HIS 28 Ca 0.64 0.01 0.04 0.00 -0.80 0.00 0.00 55.06 54.96 1aq8 s HIS 28 Cb -0.58 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 1aq8 s HIS 28 CO 0.52 -0.58 -0.20 -1.54 -2.00 0.00 0.00 174.74 170.94 1aq8 s SER 29 N -2.69 3.53 0.09 7.38 1.04 -1.26 -5.03 113.70 116.76 1aq8 s SER 29 Ca 0.09 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 55.91 1aq8 s SER 29 Cb -0.00 -1.03 -0.13 0.00 0.10 0.00 0.00 66.02 64.96 1aq8 s SER 29 CO -0.04 0.25 1.72 1.56 0.98 0.00 0.00 173.24 177.71 1aq8 h GLN 30 N 6.03 0.07 -6.25 4.02 4.20 -1.97 -3.40 115.11 117.81 1aq8 h GLN 30 Ca -0.34 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.80 1aq8 h GLN 30 Cb 1.18 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 1aq8 h GLN 30 CO 0.50 0.08 -0.02 0.08 -0.67 0.00 0.00 178.83 178.80 1aq8 s VAL 31 N -6.05 4.72 0.27 -0.54 1.01 -1.26 -3.45 120.40 115.10 1aq8 s VAL 31 Ca -0.13 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1aq8 s VAL 31 Cb 0.06 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 1aq8 s VAL 31 CO 0.67 0.54 1.52 0.00 0.00 0.00 0.00 175.10 177.83 1aq8 s ALA 32 N -1.05 3.69 -0.37 5.51 0.00 0.10 -4.93 121.76 124.70 1aq8 s ALA 32 Ca 0.30 1.45 -0.09 0.00 0.00 0.00 0.00 51.96 53.62 1aq8 s ALA 32 Cb -0.20 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.36 1aq8 s ALA 32 CO 0.20 -0.87 0.18 -1.21 0.00 0.00 0.00 175.76 174.05 1aq8 s GLU 33 N -0.42 2.70 0.25 0.00 2.02 -1.26 -4.99 118.70 117.00 1aq8 s GLU 33 Ca 0.61 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1aq8 s GLU 33 Cb -0.45 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.15 1aq8 s GLU 33 CO 0.45 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1aq8 n GLY 34 N 4.91 -2.63 1.44 -1.39 0.00 -1.26 -4.99 105.19 101.27 1aq8 n GLY 34 Ca -0.12 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 1aq8 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 35 N -0.33 -0.67 3.68 -0.02 0.00 -1.26 -5.01 105.19 101.58 1aq8 n GLY 35 Ca 0.00 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1aq8 n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aq8 n PRO 36 N -1.94 1.42 -3.80 1.61 -0.02 -1.26 -5.00 135.00 125.99 1aq8 n PRO 36 Ca 0.06 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1aq8 n PRO 36 Cb 0.22 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 1aq8 n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1aq8 s LYS 37 N -2.63 0.88 -0.55 -0.52 0.00 -1.26 -4.25 119.74 111.41 1aq8 s LYS 37 Ca 0.70 -0.86 -0.20 0.00 0.00 0.00 0.00 55.97 55.62 1aq8 s LYS 37 Cb -0.45 0.37 0.07 0.00 0.00 0.00 0.00 37.83 37.82 1aq8 s LYS 37 CO 0.51 -0.29 0.71 0.08 0.00 0.00 0.00 175.35 176.35 1aq8 s VAL 38 N -3.69 4.76 -0.31 1.79 1.01 0.44 -1.33 120.40 123.06 1aq8 s VAL 38 Ca 0.03 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1aq8 s VAL 38 Cb 0.04 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1aq8 s VAL 38 CO -0.10 -0.99 0.92 -0.69 0.00 0.00 0.00 175.10 174.24 1aq8 s VAL 39 N 2.90 4.66 -0.09 2.92 1.01 0.12 -1.31 120.40 130.61 1aq8 s VAL 39 Ca 0.16 1.42 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 1aq8 s VAL 39 Cb -0.20 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1aq8 s VAL 39 CO 0.11 -0.36 0.38 -1.61 0.00 0.00 0.00 175.10 173.62 1aq8 s GLU 40 N 3.27 4.15 0.09 2.72 2.02 0.96 -0.92 118.70 131.00 1aq8 s GLU 40 Ca 0.38 0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.71 1aq8 s GLU 40 Cb -0.13 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 1aq8 s GLU 40 CO 0.14 0.37 -0.11 -0.06 0.02 0.00 0.00 175.26 175.62 1aq8 s PHE 41 N -0.02 1.10 -0.03 1.61 0.40 -0.21 -1.65 117.98 119.19 1aq8 s PHE 41 Ca 0.22 -0.60 -0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1aq8 s PHE 41 Cb -0.15 -0.60 0.03 0.00 0.51 0.00 0.00 43.02 42.81 1aq8 s PHE 41 CO 0.09 0.02 0.02 0.99 0.70 0.00 0.00 175.22 177.04 1aq8 s THR 42 N -2.12 0.04 -0.03 0.64 2.01 -1.26 -0.44 115.64 114.48 1aq8 s THR 42 Ca 0.03 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1aq8 s THR 42 Cb -0.05 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.30 1aq8 s THR 42 CO 0.01 0.12 -0.06 -0.04 -0.69 0.00 0.00 174.62 173.96 1aq8 s MET 43 N 1.16 0.80 -0.18 4.92 -1.94 -0.59 -4.96 119.30 118.50 1aq8 s MET 43 Ca -0.08 -0.17 -0.09 0.00 -1.71 0.00 0.00 55.69 53.64 1aq8 s MET 43 Cb -0.13 -0.78 -0.05 0.00 2.01 0.00 0.00 34.83 35.88 1aq8 s MET 43 CO -0.03 0.00 0.12 0.08 -0.01 0.00 0.00 175.02 175.19 1aq8 s VAL 44 N 0.54 5.30 0.00 -6.03 1.01 -1.26 -1.38 120.40 118.58 1aq8 s VAL 44 Ca -0.07 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 1aq8 s VAL 44 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1aq8 s VAL 44 CO 0.00 0.47 0.82 -0.63 0.00 0.00 0.00 175.10 175.76 1aq8 s ILE 45 N 0.15 4.85 -0.12 2.22 1.01 0.02 -0.18 121.20 129.14 1aq8 s ILE 45 Ca 0.08 1.72 0.01 0.00 0.00 0.00 0.00 60.65 62.47 1aq8 s ILE 45 Cb -0.11 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.21 1aq8 s ILE 45 CO -0.01 0.27 -0.15 -1.61 0.00 0.00 0.00 174.94 173.45 1aq8 s GLU 46 N 0.49 2.20 -0.39 2.79 2.02 -0.15 -4.45 118.70 121.22 1aq8 s GLU 46 Ca 0.42 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.74 1aq8 s GLU 46 Cb -0.20 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.14 1aq8 s GLU 46 CO 0.23 -0.11 0.25 -1.21 0.02 0.00 0.00 175.26 174.45 1aq8 s GLU 47 N 1.12 2.90 0.03 1.61 2.02 -1.26 -0.78 118.70 124.34 1aq8 s GLU 47 Ca -0.04 -1.05 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 1aq8 s GLU 47 Cb -0.14 -3.86 0.02 0.00 0.10 0.00 0.00 34.13 30.24 1aq8 s GLU 47 CO -0.04 -0.73 0.27 -1.59 0.02 0.00 0.00 175.26 173.19 1aq8 s LYS 48 N 1.62 0.74 0.08 1.61 -2.85 -0.10 -4.96 119.74 115.87 1aq8 s LYS 48 Ca 0.03 -0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 1aq8 s LYS 48 Cb -0.19 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 1aq8 s LYS 48 CO 0.08 -0.22 0.98 0.15 0.10 0.00 0.00 175.35 176.44 1aq8 s LYS 49 N -2.27 4.64 0.10 1.78 1.02 -1.26 -0.05 119.74 123.70 1aq8 s LYS 49 Ca -0.07 1.47 0.06 0.00 0.02 0.00 0.00 55.97 57.44 1aq8 s LYS 49 Cb -0.02 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1aq8 s LYS 49 CO -0.02 0.11 -0.15 0.96 -0.92 0.00 0.00 175.35 175.34 1aq8 s ILE 50 N 0.32 1.27 -0.22 2.17 -4.36 -0.18 -4.92 121.20 115.27 1aq8 s ILE 50 Ca 0.49 -1.54 -0.11 0.00 -0.26 0.00 0.00 60.65 59.23 1aq8 s ILE 50 Cb -0.23 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.08 1aq8 s ILE 50 CO 0.30 -0.32 0.16 -0.69 0.24 0.00 0.00 174.94 174.63 1aq8 s VAL 51 N -1.73 5.37 -2.26 8.37 1.01 -1.26 -0.82 120.40 129.09 1aq8 s VAL 51 Ca 0.04 0.20 0.18 0.00 0.00 0.00 0.00 61.98 62.41 1aq8 s VAL 51 Cb -0.07 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.95 1aq8 s VAL 51 CO 0.03 0.37 1.07 2.30 0.00 0.00 0.00 175.10 178.87 1aq8 n ILE 52 N 4.03 0.00 -3.91 2.22 -5.35 0.37 -4.84 119.36 111.88 1aq8 n ILE 52 Ca -0.15 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 61.72 1aq8 n ILE 52 Cb 0.52 1.38 -0.00 0.00 -1.74 0.00 0.00 39.64 39.79 1aq8 n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1aq8 s ASP 53 N -1.51 0.25 0.00 7.28 3.84 -1.26 -1.08 116.67 124.20 1aq8 s ASP 53 Ca 0.21 -1.19 0.22 0.00 -0.00 0.00 0.00 52.55 51.79 1aq8 s ASP 53 Cb 0.15 0.77 1.25 0.00 -1.38 0.00 0.00 42.92 43.71 1aq8 s ASP 53 CO 0.23 -1.51 1.68 -0.90 -0.00 0.00 0.00 175.17 174.66 1aq8 n ASP 54 N -1.27 0.00 -1.30 2.11 5.68 -1.26 -2.71 116.55 117.80 1aq8 n ASP 54 Ca -0.05 -0.55 0.09 0.00 -0.50 0.00 0.00 54.79 53.78 1aq8 n ASP 54 Cb 0.60 -0.06 0.31 0.00 -1.14 0.00 0.00 41.12 40.83 1aq8 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aq8 n ALA 55 N -1.06 2.83 -1.61 2.12 0.00 -1.26 -4.96 120.51 116.57 1aq8 n ALA 55 Ca 0.15 -1.58 -0.12 0.00 0.00 0.00 0.00 53.44 51.89 1aq8 n ALA 55 Cb 0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1aq8 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aq8 n GLY 56 N 0.87 0.87 3.67 0.00 0.00 -1.10 -4.96 105.19 104.54 1aq8 n GLY 56 Ca 0.23 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1aq8 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aq8 s THR 57 N -2.49 3.51 0.15 2.61 2.01 -1.26 -4.90 115.64 115.28 1aq8 s THR 57 Ca 0.00 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 1aq8 s THR 57 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1aq8 s THR 57 CO 0.00 -0.04 0.34 -1.61 -0.69 0.00 0.00 174.62 172.62 1aq8 s GLU 58 N 3.26 3.52 -0.04 4.92 2.02 -1.26 -0.48 118.70 130.64 1aq8 s GLU 58 Ca 0.70 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 55.32 1aq8 s GLU 58 Cb -0.34 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.02 1aq8 s GLU 58 CO 0.29 0.47 0.11 0.08 0.02 0.00 0.00 175.26 176.23 1aq8 s VAL 59 N -1.74 -0.02 -1.05 2.63 1.01 0.00 -4.94 120.40 116.29 1aq8 s VAL 59 Ca 0.38 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 1aq8 s VAL 59 Cb -0.12 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 36.18 1aq8 s VAL 59 CO 0.28 0.03 1.41 -1.00 0.00 0.00 0.00 175.10 175.81 1aq8 s HIS 60 N 0.46 2.81 0.41 5.22 3.76 -1.26 -1.01 115.29 125.68 1aq8 s HIS 60 Ca -0.03 -1.22 -0.24 0.00 -0.15 0.00 0.00 55.06 53.42 1aq8 s HIS 60 Cb -0.05 -4.57 -0.08 0.00 1.11 0.00 0.00 32.58 28.99 1aq8 s HIS 60 CO -0.02 -1.75 1.14 0.00 -0.85 0.00 0.00 174.74 173.26 1aq8 s ALA 61 N 3.97 3.09 -0.35 -1.40 0.00 0.93 -4.84 121.76 123.16 1aq8 s ALA 61 Ca 0.43 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1aq8 s ALA 61 Cb -0.01 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.85 1aq8 s ALA 61 CO -0.06 -0.50 0.08 -1.64 0.00 0.00 0.00 175.76 173.64 1aq8 s MET 62 N -2.44 1.38 -0.06 0.00 -1.94 -0.80 -0.93 119.30 114.52 1aq8 s MET 62 Ca 0.59 -1.80 0.05 0.00 -1.71 0.00 0.00 55.69 52.82 1aq8 s MET 62 Cb -0.28 -2.99 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 1aq8 s MET 62 CO 0.35 -0.97 -0.23 0.00 -0.01 0.00 0.00 175.02 174.17 1aq8 s ALA 63 N 0.92 2.25 -0.02 3.03 0.00 0.04 -1.84 121.76 126.14 1aq8 s ALA 63 Ca 0.11 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1aq8 s ALA 63 Cb -0.19 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1aq8 s ALA 63 CO -0.10 0.42 1.18 -0.06 0.00 0.00 0.00 175.76 177.20 1aq8 s PHE 64 N -0.17 3.30 -1.99 0.00 0.08 -1.25 -0.97 117.98 116.98 1aq8 s PHE 64 Ca -0.03 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1aq8 s PHE 64 Cb -0.14 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 1aq8 s PHE 64 CO 0.04 -1.19 0.00 -1.71 -0.10 0.00 0.00 175.22 172.26 1aq8 n ASN 65 N 4.71 -5.28 0.00 1.36 5.15 0.74 -2.40 115.26 119.54 1aq8 n ASN 65 Ca 0.10 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 1aq8 n ASN 65 Cb 0.47 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 1aq8 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1aq8 n GLY 66 N -0.67 0.39 3.31 8.20 0.00 -1.12 -4.90 105.19 110.39 1aq8 n GLY 66 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1aq8 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aq8 s THR 67 N -1.78 1.67 -0.25 2.61 -4.23 -1.01 -4.95 115.64 107.70 1aq8 s THR 67 Ca 0.00 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1aq8 s THR 67 Cb 0.00 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 72.09 1aq8 s THR 67 CO 0.00 -0.40 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.93 1aq8 s VAL 68 N -2.27 1.70 1.03 2.29 1.01 -1.26 -3.37 120.40 119.52 1aq8 s VAL 68 Ca 0.15 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 1aq8 s VAL 68 Cb -0.04 -1.95 0.24 0.00 0.00 0.00 0.00 36.38 34.63 1aq8 s VAL 68 CO 0.06 -0.11 1.30 -0.81 0.00 0.00 0.00 175.10 175.53 1aq8 n PRO 69 N 4.60 -1.61 -1.37 2.72 -0.04 -1.26 -1.88 135.00 136.16 1aq8 n PRO 69 Ca -0.12 -2.02 -0.31 0.00 -0.04 0.00 0.00 63.50 61.02 1aq8 n PRO 69 Cb 0.43 -1.42 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1aq8 n PRO 69 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1aq8 s GLY 70 N -5.68 1.72 0.78 0.55 0.00 0.70 -4.75 107.32 100.64 1aq8 s GLY 70 Ca 0.75 0.25 -0.13 0.00 0.00 0.00 0.00 44.72 45.59 1aq8 s GLY 70 CO 0.53 0.59 1.19 2.56 0.00 0.00 0.00 173.10 177.98 1aq8 s PRO 71 N -4.86 1.82 -0.18 2.90 0.04 -1.26 -4.43 135.00 129.03 1aq8 s PRO 71 Ca 0.61 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 1aq8 s PRO 71 Cb -0.17 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1aq8 s PRO 71 CO 0.54 -2.07 0.75 -1.17 0.04 0.00 0.00 177.00 175.10 1aq8 s LEU 72 N -5.58 4.17 -0.23 -3.56 2.96 -1.26 -4.41 118.68 110.77 1aq8 s LEU 72 Ca 0.72 1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 55.59 1aq8 s LEU 72 Cb -0.27 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1aq8 s LEU 72 CO 0.49 -0.34 0.13 -0.04 -1.32 0.00 0.00 176.35 175.27 1aq8 s MET 73 N 2.00 3.97 -0.16 1.98 -1.94 -1.17 -4.51 119.30 119.47 1aq8 s MET 73 Ca 0.35 -0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 53.99 1aq8 s MET 73 Cb -0.16 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.22 1aq8 s MET 73 CO 0.12 0.04 -0.11 0.08 -0.01 0.00 0.00 175.02 175.14 1aq8 s VAL 74 N 1.07 3.10 0.31 -6.03 1.01 -1.26 -0.06 120.40 118.55 1aq8 s VAL 74 Ca 0.06 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1aq8 s VAL 74 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1aq8 s VAL 74 CO 0.04 0.50 0.27 0.68 0.00 0.00 0.00 175.10 176.59 1aq8 s VAL 75 N 0.69 0.00 0.25 2.92 -7.23 -0.27 -4.98 120.40 111.79 1aq8 s VAL 75 Ca -0.05 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 1aq8 s VAL 75 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1aq8 s VAL 75 CO 0.02 0.00 -0.02 -1.00 -0.31 0.00 0.00 175.10 173.79 1aq8 s HIS 76 N -3.54 2.68 0.29 2.82 3.76 -1.26 -0.26 115.29 119.79 1aq8 s HIS 76 Ca 0.39 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.79 1aq8 s HIS 76 Cb 0.03 -1.21 -0.13 0.00 1.11 0.00 0.00 32.58 32.38 1aq8 s HIS 76 CO 0.24 0.61 1.33 0.94 -0.85 0.00 0.00 174.74 177.01 1aq8 n GLN 77 N -0.74 2.04 -1.00 1.40 7.27 1.00 -1.87 117.38 125.48 1aq8 n GLN 77 Ca -0.07 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.72 1aq8 n GLN 77 Cb 0.58 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.91 1aq8 n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1aq8 n ASP 78 N 1.49 -3.30 -4.95 1.69 10.43 0.40 -4.72 116.55 117.58 1aq8 n ASP 78 Ca 0.08 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.22 1aq8 n ASP 78 Cb 0.34 -0.95 0.02 0.00 1.84 0.00 0.00 41.12 42.37 1aq8 n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1aq8 s ASP 79 N -2.04 5.60 -0.10 -2.24 -0.00 -0.78 -4.67 116.67 112.44 1aq8 s ASP 79 Ca 0.00 0.25 -0.01 0.00 -0.00 0.00 0.00 52.55 52.78 1aq8 s ASP 79 Cb 0.00 -1.34 -0.03 0.00 -0.00 0.00 0.00 42.92 41.55 1aq8 s ASP 79 CO 0.00 -0.90 -0.05 -0.31 -0.00 0.00 0.00 175.17 173.91 1aq8 s TYR 80 N -2.69 3.00 -0.32 4.23 1.51 -0.44 -1.07 117.35 121.57 1aq8 s TYR 80 Ca 0.52 -0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 56.42 1aq8 s TYR 80 Cb -0.10 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1aq8 s TYR 80 CO 0.39 0.23 0.15 -1.17 -1.11 0.00 0.00 175.55 174.03 1aq8 s LEU 81 N -0.42 4.16 -0.40 -1.29 0.20 -0.19 0.12 118.68 120.86 1aq8 s LEU 81 Ca 0.07 -0.65 -0.06 0.00 0.69 0.00 0.00 54.13 54.18 1aq8 s LEU 81 Cb -0.12 -1.98 0.09 0.00 -0.43 0.00 0.00 46.19 43.75 1aq8 s LEU 81 CO 0.02 -0.23 0.20 -0.70 -0.29 0.00 0.00 176.35 175.36 1aq8 s GLU 82 N 1.58 2.35 -0.17 1.98 2.12 -0.09 -2.01 118.70 124.46 1aq8 s GLU 82 Ca 0.04 -1.58 -0.07 0.00 0.36 0.00 0.00 54.97 53.72 1aq8 s GLU 82 Cb -0.17 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1aq8 s GLU 82 CO 0.05 -0.96 0.07 -1.17 -0.54 0.00 0.00 175.26 172.71 1aq8 s LEU 83 N 1.29 3.86 -0.39 2.70 1.98 0.41 -1.05 118.68 127.49 1aq8 s LEU 83 Ca 0.04 0.12 -0.12 0.00 -2.89 0.00 0.00 54.13 51.28 1aq8 s LEU 83 Cb -0.23 -1.97 0.04 0.00 0.66 0.00 0.00 46.19 44.69 1aq8 s LEU 83 CO -0.01 0.21 0.25 -0.89 -1.89 0.00 0.00 176.35 174.01 1aq8 s THR 84 N 0.17 4.71 -0.20 3.68 2.01 0.42 -0.99 115.64 125.44 1aq8 s THR 84 Ca 0.05 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1aq8 s THR 84 Cb -0.12 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1aq8 s THR 84 CO 0.00 -0.31 0.13 -0.22 -0.69 0.00 0.00 174.62 173.53 1aq8 s LEU 85 N 1.57 4.21 -0.09 4.42 2.96 0.14 -1.54 118.68 130.34 1aq8 s LEU 85 Ca 0.03 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1aq8 s LEU 85 Cb -0.20 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.40 1aq8 s LEU 85 CO 0.07 0.17 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.41 1aq8 s ILE 86 N 0.39 1.96 -0.41 6.68 1.01 -0.48 -0.93 121.20 129.43 1aq8 s ILE 86 Ca 0.08 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1aq8 s ILE 86 Cb -0.11 -1.69 0.11 0.00 0.01 0.00 0.00 42.46 40.78 1aq8 s ILE 86 CO -0.02 0.54 0.15 0.21 0.00 0.00 0.00 174.94 175.82 1aq8 s ASN 87 N 0.28 4.85 0.59 3.58 2.47 0.09 -0.80 114.94 126.00 1aq8 s ASN 87 Ca -0.16 -2.32 -0.19 0.00 0.42 0.00 0.00 52.86 50.61 1aq8 s ASN 87 Cb -0.17 -1.70 -0.05 0.00 -1.45 0.00 0.00 41.25 37.88 1aq8 s ASN 87 CO 0.08 -0.40 0.97 -2.65 -3.72 0.00 0.00 177.10 171.38 1aq8 n PRO 88 N 4.09 0.95 0.24 0.43 -0.02 -1.26 0.54 135.00 139.96 1aq8 n PRO 88 Ca 0.03 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 62.04 1aq8 n PRO 88 Cb 0.40 -2.17 0.82 0.00 -0.02 0.00 0.00 33.50 32.53 1aq8 n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1aq8 h GLU 89 N 0.59 0.00 0.00 -0.52 4.11 -1.90 -1.34 114.58 115.52 1aq8 h GLU 89 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1aq8 h GLU 89 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1aq8 h GLU 89 CO 0.51 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.84 1aq8 n THR 90 N -2.66 0.56 -2.14 -1.06 -2.24 -1.26 -4.72 114.28 100.75 1aq8 n THR 90 Ca -0.01 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1aq8 n THR 90 Cb 0.11 -0.77 0.01 0.00 -2.10 0.00 0.00 70.33 67.59 1aq8 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1aq8 s ASN 91 N -3.73 6.06 0.00 3.42 0.01 -0.51 -5.01 114.94 115.18 1aq8 s ASN 91 Ca 0.09 1.17 0.06 0.00 -0.71 0.00 0.00 52.86 53.47 1aq8 s ASN 91 Cb 0.13 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1aq8 s ASN 91 CO 0.47 -0.87 0.58 0.35 -1.51 0.00 0.00 177.10 176.12 1aq8 n THR 92 N -2.63 0.00 -4.31 1.60 -2.24 -1.26 -4.72 114.28 100.73 1aq8 n THR 92 Ca 0.04 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1aq8 n THR 92 Cb 0.55 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.76 1aq8 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1aq8 s LEU 93 N -0.95 2.37 0.24 3.22 1.43 -1.26 -4.95 118.68 118.77 1aq8 s LEU 93 Ca 0.06 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.15 1aq8 s LEU 93 Cb 0.05 -0.85 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 1aq8 s LEU 93 CO 0.12 0.01 0.83 -0.32 0.23 0.00 0.00 176.35 177.22 1aq8 s MET 94 N -2.33 4.51 0.18 1.70 -2.45 -1.26 -4.22 119.30 115.43 1aq8 s MET 94 Ca 0.11 1.16 -0.00 0.00 -1.25 0.00 0.00 55.69 55.71 1aq8 s MET 94 Cb -0.08 -2.99 -0.04 0.00 1.25 0.00 0.00 34.83 32.97 1aq8 s MET 94 CO 0.05 0.41 0.08 -1.01 1.05 0.00 0.00 175.02 175.60 1aq8 s HIS 95 N -1.43 1.14 0.07 4.11 0.09 -0.68 -4.88 115.29 113.71 1aq8 s HIS 95 Ca 0.43 -1.23 -0.02 0.00 -0.00 0.00 0.00 55.06 54.24 1aq8 s HIS 95 Cb -0.20 -0.62 0.01 0.00 -0.00 0.00 0.00 32.58 31.77 1aq8 s HIS 95 CO 0.24 -0.47 0.13 0.27 -0.00 0.00 0.00 174.74 174.92 1aq8 n ASN 96 N -0.24 -0.38 -3.76 1.40 6.94 -1.26 -0.54 115.26 117.42 1aq8 n ASN 96 Ca -0.02 -1.30 -0.13 0.00 -0.02 0.00 0.00 54.58 53.11 1aq8 n ASN 96 Cb 0.65 0.64 -0.12 0.00 -2.36 0.00 0.00 39.78 38.58 1aq8 n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1aq8 s ILE 97 N -2.77 -0.02 -0.29 1.53 2.07 -1.26 -4.20 121.20 116.26 1aq8 s ILE 97 Ca 0.03 0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.33 1aq8 s ILE 97 Cb -0.01 -0.35 0.04 0.00 0.13 0.00 0.00 42.46 42.27 1aq8 s ILE 97 CO 0.02 0.03 0.00 -0.62 -1.91 0.00 0.00 174.94 172.47 1aq8 s ASP 98 N 0.73 4.80 -0.33 4.50 3.68 0.15 -0.92 116.67 129.27 1aq8 s ASP 98 Ca -0.05 -1.10 -0.16 0.00 2.13 0.00 0.00 52.55 53.37 1aq8 s ASP 98 Cb -0.06 -1.73 -0.01 0.00 -1.45 0.00 0.00 42.92 39.66 1aq8 s ASP 98 CO -0.04 -0.22 0.41 -0.36 0.13 0.00 0.00 175.17 175.08 1aq8 s PHE 99 N 1.31 3.21 -0.04 -5.34 0.40 -0.37 -0.97 117.98 116.17 1aq8 s PHE 99 Ca -0.03 0.12 0.30 0.00 -0.60 0.00 0.00 56.93 56.72 1aq8 s PHE 99 Cb -0.19 -2.73 1.40 0.00 0.51 0.00 0.00 43.02 42.01 1aq8 s PHE 99 CO -0.01 -0.43 1.91 0.45 0.70 0.00 0.00 175.22 177.84 1aq8 h HIS 100 N 8.41 0.00 0.00 0.36 3.86 -1.37 -1.66 115.15 124.74 1aq8 h HIS 100 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1aq8 h HIS 100 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1aq8 h HIS 100 CO 0.71 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.50 1aq8 h ALA 101 N 2.09 1.00 -2.24 2.45 0.00 -1.91 -3.47 119.26 117.18 1aq8 h ALA 101 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1aq8 h ALA 101 Cb 0.29 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.11 1aq8 h ALA 101 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.27 1aq8 s ALA 102 N -3.25 3.51 -0.15 0.00 0.00 -0.63 -4.59 121.76 116.66 1aq8 s ALA 102 Ca 0.07 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1aq8 s ALA 102 Cb 0.07 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1aq8 s ALA 102 CO 0.64 -0.36 -0.16 0.99 0.00 0.00 0.00 175.76 176.87 1aq8 s THR 103 N -2.66 1.65 0.00 0.00 2.01 -1.26 -4.67 115.64 110.71 1aq8 s THR 103 Ca 0.47 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1aq8 s THR 103 Cb -0.10 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.88 1aq8 s THR 103 CO 0.42 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.43 1aq8 n GLY 104 N 4.61 2.72 4.26 4.40 0.00 -1.26 -4.91 105.19 115.01 1aq8 n GLY 104 Ca -0.18 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1aq8 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 n ALA 105 N 0.24 -1.68 -3.74 4.61 0.00 -1.26 0.07 120.51 118.76 1aq8 n ALA 105 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 1aq8 n ALA 105 Cb 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.21 1aq8 n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aq8 n LEU 106 N -4.20 -3.05 0.00 0.00 4.77 -1.26 -0.63 117.00 112.63 1aq8 n LEU 106 Ca -0.17 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1aq8 n LEU 106 Cb 0.58 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.93 1aq8 n LEU 106 CO 0.84 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1aq8 n GLY 107 N -1.65 0.50 0.00 -0.72 0.00 0.11 -2.58 105.19 100.85 1aq8 n GLY 107 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1aq8 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 108 N -2.08 1.03 0.35 -0.02 0.00 0.19 -1.24 105.19 103.43 1aq8 n GLY 108 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1aq8 n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aq8 h GLY 109 N 0.00 0.89 2.00 -0.02 0.00 -0.29 -0.83 103.07 104.83 1aq8 h GLY 109 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1aq8 h GLY 109 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1aq8 n GLY 110 N -1.46 -1.37 0.31 4.60 0.00 -0.72 -3.32 105.19 103.23 1aq8 n GLY 110 Ca 0.11 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1aq8 n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aq8 n LEU 111 N -1.70 1.49 -0.37 0.99 4.77 -0.37 -4.65 117.00 117.16 1aq8 n LEU 111 Ca 0.05 -0.84 0.07 0.00 -0.03 0.00 0.00 56.01 55.26 1aq8 n LEU 111 Cb 0.29 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1aq8 n LEU 111 CO 0.23 0.29 0.44 0.35 -1.33 0.00 0.00 177.39 177.37 1aq8 n THR 112 N 0.05 1.73 -2.21 -5.08 -2.24 -0.90 -4.95 114.28 100.69 1aq8 n THR 112 Ca 0.05 -2.34 -0.40 0.00 -2.27 0.00 0.00 64.05 59.10 1aq8 n THR 112 Cb 0.24 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1aq8 n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aq8 s GLU 113 N -2.60 2.86 -0.12 -0.78 2.02 -1.25 -4.04 118.70 114.80 1aq8 s GLU 113 Ca 0.31 0.37 0.01 0.00 0.02 0.00 0.00 54.97 55.69 1aq8 s GLU 113 Cb 0.29 -4.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.21 1aq8 s GLU 113 CO -0.02 -2.48 -0.15 0.96 0.02 0.00 0.00 175.26 173.59 1aq8 s ILE 114 N 7.81 2.87 0.68 -1.63 -4.36 0.29 -4.95 121.20 121.91 1aq8 s ILE 114 Ca 0.57 -0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 60.16 1aq8 s ILE 114 Cb -0.11 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.45 1aq8 s ILE 114 CO 0.20 0.53 1.00 0.20 0.24 0.00 0.00 174.94 177.11 1aq8 s ASN 115 N 0.30 5.10 0.17 4.36 -0.87 -1.26 -1.69 114.94 121.04 1aq8 s ASN 115 Ca -0.11 0.64 -0.33 0.00 -1.57 0.00 0.00 52.86 51.49 1aq8 s ASN 115 Cb -0.16 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.25 39.54 1aq8 s ASN 115 CO 0.06 -1.43 1.65 -2.65 -2.57 0.00 0.00 177.10 172.17 1aq8 n PRO 116 N -2.86 2.40 -0.12 -0.60 -0.02 -1.26 -1.33 135.00 131.21 1aq8 n PRO 116 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1aq8 n PRO 116 Cb 0.59 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1aq8 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aq8 n GLY 117 N 3.69 0.88 3.35 -1.23 0.00 0.19 -4.64 105.19 107.43 1aq8 n GLY 117 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1aq8 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aq8 s GLU 118 N -0.88 1.34 0.20 1.61 2.02 -0.44 -4.87 118.70 117.67 1aq8 s GLU 118 Ca 0.00 -1.50 0.01 0.00 0.02 0.00 0.00 54.97 53.50 1aq8 s GLU 118 Cb 0.00 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 1aq8 s GLU 118 CO 0.00 0.26 0.06 -1.59 0.02 0.00 0.00 175.26 174.01 1aq8 s LYS 119 N -3.09 1.21 0.03 1.61 -2.85 -1.26 -0.73 119.74 114.65 1aq8 s LYS 119 Ca 0.19 -1.62 -0.24 0.00 -1.00 0.00 0.00 55.97 53.30 1aq8 s LYS 119 Cb -0.04 -0.14 0.06 0.00 -2.06 0.00 0.00 37.83 35.64 1aq8 s LYS 119 CO 0.08 -0.24 0.55 -0.08 0.10 0.00 0.00 175.35 175.76 1aq8 s THR 120 N -3.80 0.02 -0.18 3.79 -1.32 -0.10 -4.99 115.64 109.07 1aq8 s THR 120 Ca 0.31 -0.19 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1aq8 s THR 120 Cb 0.07 -0.96 0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1aq8 s THR 120 CO 0.08 -0.10 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.63 1aq8 s ILE 121 N -2.13 1.67 -0.03 5.08 1.01 -1.26 -0.69 121.20 124.85 1aq8 s ILE 121 Ca -0.07 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1aq8 s ILE 121 Cb -0.01 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1aq8 s ILE 121 CO 0.01 0.34 -0.14 -0.22 0.00 0.00 0.00 174.94 174.93 1aq8 s LEU 122 N 1.42 2.75 -0.01 2.97 2.96 -0.16 -4.97 118.68 123.63 1aq8 s LEU 122 Ca 0.02 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1aq8 s LEU 122 Cb -0.14 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1aq8 s LEU 122 CO -0.10 0.32 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.53 1aq8 s ARG 123 N -0.93 1.06 -0.05 1.98 3.52 -1.26 -0.44 118.95 122.82 1aq8 s ARG 123 Ca 0.13 -0.46 -0.16 0.00 -0.13 0.00 0.00 55.73 55.11 1aq8 s ARG 123 Cb -0.11 -1.02 0.03 0.00 -1.56 0.00 0.00 34.95 32.30 1aq8 s ARG 123 CO 0.02 0.27 0.36 -0.59 -0.81 0.00 0.00 175.30 174.55 1aq8 s PHE 124 N -0.26 -0.29 -0.21 5.12 -0.12 -0.85 -4.98 117.98 116.39 1aq8 s PHE 124 Ca 0.04 0.56 -0.24 0.00 -0.05 0.00 0.00 56.93 57.24 1aq8 s PHE 124 Cb -0.05 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1aq8 s PHE 124 CO -0.00 -0.35 0.77 0.21 -0.05 0.00 0.00 175.22 175.79 1aq8 s LYS 125 N -0.87 4.21 -1.29 1.99 2.20 -1.26 -1.02 119.74 123.70 1aq8 s LYS 125 Ca -0.09 0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 56.20 1aq8 s LYS 125 Cb -0.04 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1aq8 s LYS 125 CO 0.04 -0.40 1.93 0.00 -0.36 0.00 0.00 175.35 176.56 1aq8 n ALA 126 N 5.56 3.89 0.28 3.13 0.00 -0.23 -4.76 120.51 128.37 1aq8 n ALA 126 Ca 0.03 -3.70 0.17 0.00 0.00 0.00 0.00 53.44 49.94 1aq8 n ALA 126 Cb 0.48 -3.57 0.64 0.00 0.00 0.00 0.00 19.45 17.00 1aq8 n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aq8 h THR 127 N 5.09 0.00 -4.05 0.00 1.35 -1.85 0.11 112.91 113.56 1aq8 h THR 127 Ca 0.45 -0.55 -0.69 0.00 -0.55 0.00 0.00 66.41 65.08 1aq8 h THR 127 Cb 0.79 1.54 -0.31 0.00 -1.73 0.00 0.00 68.15 68.44 1aq8 h THR 127 CO 1.60 0.00 -0.88 -0.54 -0.25 0.00 0.00 175.52 175.45 1aq8 s LYS 128 N -3.62 2.49 0.06 4.72 1.02 -1.26 -4.75 119.74 118.40 1aq8 s LYS 128 Ca 0.02 -0.90 -0.23 0.00 0.02 0.00 0.00 55.97 54.88 1aq8 s LYS 128 Cb 0.09 -2.13 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1aq8 s LYS 128 CO 0.55 0.39 0.70 -1.25 -0.92 0.00 0.00 175.35 174.82 1aq8 s PRO 129 N -0.19 4.43 0.00 -1.68 0.04 -1.26 -4.79 135.00 131.55 1aq8 s PRO 129 Ca -0.03 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1aq8 s PRO 129 Cb -0.13 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1aq8 s PRO 129 CO 0.03 0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1aq8 n GLY 130 N 2.18 0.16 3.69 0.56 0.00 0.09 -2.01 105.19 109.86 1aq8 n GLY 130 Ca -0.05 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 1aq8 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aq8 s VAL 131 N -1.57 5.25 0.08 1.61 -7.23 0.32 -0.43 120.40 118.42 1aq8 s VAL 131 Ca 0.00 0.63 0.08 0.00 -1.81 0.00 0.00 61.98 60.88 1aq8 s VAL 131 Cb 0.00 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 1aq8 s VAL 131 CO 0.00 0.31 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.53 1aq8 s PHE 132 N 0.95 1.81 0.32 2.82 0.08 0.41 -4.35 117.98 120.03 1aq8 s PHE 132 Ca 0.18 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.67 1aq8 s PHE 132 Cb -0.14 -1.03 -0.09 0.00 -0.57 0.00 0.00 43.02 41.19 1aq8 s PHE 132 CO 0.06 0.16 0.75 0.08 -0.10 0.00 0.00 175.22 176.17 1aq8 s VAL 133 N -0.99 4.65 0.01 -0.44 1.01 -1.26 0.05 120.40 123.43 1aq8 s VAL 133 Ca 0.07 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1aq8 s VAL 133 Cb -0.09 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1aq8 s VAL 133 CO 0.03 -0.17 -0.05 -0.72 0.00 0.00 0.00 175.10 174.19 1aq8 s TYR 134 N -1.97 0.44 0.19 5.22 -0.85 -0.74 -1.00 117.35 118.64 1aq8 s TYR 134 Ca 0.54 -0.26 -0.22 0.00 -0.52 0.00 0.00 57.07 56.61 1aq8 s TYR 134 Cb -0.11 -0.28 0.06 0.00 0.38 0.00 0.00 41.96 42.01 1aq8 s TYR 134 CO 0.17 -0.05 0.62 -3.38 -1.52 0.00 0.00 175.55 171.39 1aq8 s HIS 135 N -0.65 -0.43 0.31 -3.49 -3.43 -0.14 -0.87 115.29 106.58 1aq8 s HIS 135 Ca -0.04 0.16 -0.28 0.00 -0.80 0.00 0.00 55.06 54.10 1aq8 s HIS 135 Cb -0.05 0.58 -0.09 0.00 -1.43 0.00 0.00 32.58 31.59 1aq8 s HIS 135 CO -0.00 -0.94 1.03 0.00 -2.00 0.00 0.00 174.74 172.83 1aq8 n ALA 137 N 0.82 0.99 -2.25 0.00 0.00 -1.26 -4.40 120.51 114.41 1aq8 n ALA 137 Ca 0.01 -2.67 -0.42 0.00 0.00 0.00 0.00 53.44 50.35 1aq8 n ALA 137 Cb 0.47 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1aq8 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1aq8 s PRO 138 N -0.94 4.27 -0.24 0.00 0.02 -1.26 -4.87 135.00 131.98 1aq8 s PRO 138 Ca 0.34 1.92 -0.39 0.00 0.02 0.00 0.00 61.00 62.88 1aq8 s PRO 138 Cb 0.26 -3.64 -0.15 0.00 0.02 0.00 0.00 34.50 30.98 1aq8 s PRO 138 CO -0.12 -0.61 1.74 -2.30 -0.33 0.00 0.00 177.00 175.38 1aq8 n PRO 139 N 5.71 1.25 0.00 5.54 -0.02 -1.26 -1.79 135.00 144.44 1aq8 n PRO 139 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1aq8 n PRO 139 Cb 0.44 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1aq8 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aq8 n GLY 140 N 4.13 2.30 2.77 -1.23 0.00 -1.26 -4.86 105.19 107.02 1aq8 n GLY 140 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1aq8 n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1aq8 n MET 141 N -0.49 1.85 0.46 1.61 0.00 -0.74 -4.99 117.12 114.83 1aq8 n MET 141 Ca 0.00 -3.55 -0.19 0.00 0.00 0.00 0.00 57.70 53.96 1aq8 n MET 141 Cb 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 33.22 31.48 1aq8 n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1aq8 h VAL 142 N 5.19 0.07 -0.47 3.17 2.07 -1.86 -3.01 116.25 121.41 1aq8 h VAL 142 Ca -0.10 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.43 1aq8 h VAL 142 Cb 1.28 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1aq8 h VAL 142 CO 0.25 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 177.19 1aq8 h PRO 143 N -1.26 0.11 -0.09 1.57 0.11 -1.92 -2.57 132.00 127.95 1aq8 h PRO 143 Ca -0.12 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.02 1aq8 h PRO 143 Cb 0.91 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 1aq8 h PRO 143 CO 0.20 0.07 -0.24 2.35 -0.21 0.00 0.00 178.00 180.17 1aq8 h TRP 144 N 0.12 -0.65 -0.54 0.65 7.01 -1.95 0.12 115.95 120.70 1aq8 h TRP 144 Ca 0.23 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 1aq8 h TRP 144 Cb 0.34 0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 1aq8 h TRP 144 CO -0.30 -0.33 0.30 0.45 -2.79 0.00 0.00 178.44 175.77 1aq8 h HIS 145 N -0.33 0.74 0.02 2.65 3.86 -1.38 -1.95 115.15 118.76 1aq8 h HIS 145 Ca 0.09 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1aq8 h HIS 145 Cb 0.46 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1aq8 h HIS 145 CO -0.33 0.54 -0.01 0.28 0.86 0.00 0.00 177.93 179.28 1aq8 h VAL 146 N 0.72 1.08 0.00 2.45 2.07 -1.05 -2.31 116.25 119.22 1aq8 h VAL 146 Ca 0.19 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1aq8 h VAL 146 Cb 0.05 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1aq8 h VAL 146 CO -0.03 0.07 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1aq8 n VAL 147 N -5.04 0.08 -0.29 2.57 0.24 0.36 -1.79 118.33 114.46 1aq8 n VAL 147 Ca -0.07 0.02 0.08 0.00 -2.04 0.00 0.00 64.34 62.33 1aq8 n VAL 147 Cb 0.09 -0.69 0.31 0.00 -1.47 0.00 0.00 33.84 32.08 1aq8 n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1aq8 n SER 148 N -1.06 4.14 0.00 -1.34 7.64 -0.74 -4.64 113.62 117.62 1aq8 n SER 148 Ca 0.15 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1aq8 n SER 148 Cb 0.09 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1aq8 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aq8 n GLY 149 N 1.08 0.75 2.75 0.23 0.00 -0.74 -1.90 105.19 107.36 1aq8 n GLY 149 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1aq8 n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1aq8 n MET 150 N -2.16 3.26 -3.63 1.61 0.00 -0.77 -4.58 117.12 110.85 1aq8 n MET 150 Ca 0.00 -2.97 -0.09 0.00 0.00 0.00 0.00 57.70 54.64 1aq8 n MET 150 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 33.22 30.10 1aq8 n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1aq8 s ASN 151 N 2.11 -0.39 0.00 6.12 2.20 -1.26 -1.92 114.94 121.80 1aq8 s ASN 151 Ca 0.45 -0.28 0.00 0.00 -0.94 0.00 0.00 52.86 52.10 1aq8 s ASN 151 Cb 0.13 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 40.00 1aq8 s ASN 151 CO -0.05 -1.08 0.00 0.61 -2.94 0.00 0.00 177.10 173.64 1aq8 n GLY 152 N -0.41 2.25 3.59 0.45 0.00 -0.05 -0.21 105.19 110.81 1aq8 n GLY 152 Ca -0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1aq8 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 s ALA 153 N -1.00 -1.46 0.12 4.61 0.00 -1.26 -1.79 121.76 120.98 1aq8 s ALA 153 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1aq8 s ALA 153 Cb 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1aq8 s ALA 153 CO 0.00 -0.87 -0.10 0.96 0.00 0.00 0.00 175.76 175.74 1aq8 s ILE 154 N -3.79 1.04 -0.18 0.00 -4.36 0.11 -3.06 121.20 110.95 1aq8 s ILE 154 Ca 0.05 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1aq8 s ILE 154 Cb -0.03 -1.55 0.03 0.00 1.25 0.00 0.00 42.46 42.16 1aq8 s ILE 154 CO -0.05 -0.62 -0.17 -0.32 0.24 0.00 0.00 174.94 174.02 1aq8 s MET 155 N -3.14 2.72 -0.73 0.37 -2.45 0.91 -0.44 119.30 116.54 1aq8 s MET 155 Ca 0.10 -0.82 -0.13 0.00 -1.25 0.00 0.00 55.69 53.58 1aq8 s MET 155 Cb -0.01 -2.50 0.19 0.00 1.25 0.00 0.00 34.83 33.76 1aq8 s MET 155 CO 0.00 -0.26 0.66 0.08 1.05 0.00 0.00 175.02 176.55 1aq8 s VAL 156 N 1.32 5.27 0.39 10.11 1.01 0.42 -1.12 120.40 137.81 1aq8 s VAL 156 Ca 0.03 -2.29 -0.25 0.00 0.00 0.00 0.00 61.98 59.48 1aq8 s VAL 156 Cb -0.14 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1aq8 s VAL 156 CO -0.11 -0.97 1.12 -0.76 0.00 0.00 0.00 175.10 174.38 1aq8 s LEU 157 N 0.50 4.20 0.58 3.92 1.43 0.65 -0.74 118.68 129.22 1aq8 s LEU 157 Ca 0.14 2.23 -0.19 0.00 -1.03 0.00 0.00 54.13 55.28 1aq8 s LEU 157 Cb -0.16 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 1aq8 s LEU 157 CO -0.06 -0.57 1.19 -2.84 0.23 0.00 0.00 176.35 174.30 1aq8 s PRO 158 N -2.30 3.06 0.38 1.29 0.02 -1.26 -0.00 135.00 136.19 1aq8 s PRO 158 Ca 0.56 1.77 0.14 0.00 0.02 0.00 0.00 61.00 63.50 1aq8 s PRO 158 Cb -0.28 -1.95 0.98 0.00 0.02 0.00 0.00 34.50 33.28 1aq8 s PRO 158 CO 0.35 -1.12 1.83 0.00 -0.33 0.00 0.00 177.00 177.72 1aq8 h ARG 159 N 0.95 0.50 -0.74 5.54 2.47 -1.89 -0.29 114.38 120.92 1aq8 h ARG 159 Ca -0.50 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.07 1aq8 h ARG 159 Cb 1.29 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 29.43 1aq8 h ARG 159 CO 0.55 0.33 0.15 -0.85 0.56 0.00 0.00 179.97 180.71 1aq8 n GLU 160 N -4.58 3.68 -0.26 0.04 0.00 -1.26 0.00 120.64 118.27 1aq8 n GLU 160 Ca 0.21 -2.61 0.03 0.00 0.00 0.00 0.00 57.16 54.79 1aq8 n GLU 160 Cb 0.67 -2.10 -0.01 0.00 0.00 0.00 0.00 31.44 29.99 1aq8 n GLU 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aq8 n GLY 161 N 0.15 -1.73 3.84 -1.84 0.00 -0.12 -4.82 105.19 100.66 1aq8 n GLY 161 Ca 0.30 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1aq8 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aq8 s LEU 162 N 0.00 3.68 0.06 0.99 1.43 -1.26 -4.48 118.68 119.11 1aq8 s LEU 162 Ca 0.00 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1aq8 s LEU 162 Cb 0.00 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.71 1aq8 s LEU 162 CO 0.00 -0.56 0.24 -1.00 0.23 0.00 0.00 176.35 175.26 1aq8 s HIS 163 N -2.53 0.02 0.00 0.29 3.76 -1.26 -1.50 115.29 114.07 1aq8 s HIS 163 Ca 0.60 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 1aq8 s HIS 163 Cb -0.10 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.61 1aq8 s HIS 163 CO 0.28 -0.50 0.00 -0.40 -0.85 0.00 0.00 174.74 173.27 1aq8 n ASP 164 N 0.39 0.00 -0.09 1.40 3.85 0.72 -4.82 116.55 118.00 1aq8 n ASP 164 Ca -0.17 -0.69 0.12 0.00 -0.71 0.00 0.00 54.79 53.34 1aq8 n ASP 164 Cb 0.60 0.00 0.51 0.00 -1.35 0.00 0.00 41.12 40.88 1aq8 n ASP 164 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1aq8 h GLY 165 N 0.00 0.57 -4.74 6.12 0.00 -1.88 -2.91 103.07 100.23 1aq8 h GLY 165 Ca 0.00 -0.16 -0.66 0.00 0.00 0.00 0.00 47.33 46.51 1aq8 h GLY 165 CO 0.00 0.10 -0.05 1.17 0.00 0.00 0.00 176.54 177.76 1aq8 n LYS 166 N -4.47 3.21 -0.27 4.80 4.81 -1.26 -4.94 118.16 120.04 1aq8 n LYS 166 Ca 0.10 -4.16 0.00 0.00 -0.87 0.00 0.00 58.31 53.38 1aq8 n LYS 166 Cb 0.39 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1aq8 n LYS 166 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aq8 n GLY 167 N -0.49 0.05 3.73 3.14 0.00 -1.10 -4.94 105.19 105.58 1aq8 n GLY 167 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1aq8 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq8 s LYS 168 N -0.52 4.34 0.27 1.61 1.02 -1.26 -4.70 119.74 120.49 1aq8 s LYS 168 Ca 0.00 2.10 -0.30 0.00 0.02 0.00 0.00 55.97 57.80 1aq8 s LYS 168 Cb 0.00 -3.21 -0.10 0.00 -0.52 0.00 0.00 37.83 34.00 1aq8 s LYS 168 CO 0.00 -0.37 1.40 0.00 -0.92 0.00 0.00 175.35 175.46 1aq8 s ALA 169 N 0.62 3.59 -0.23 5.17 0.00 -1.26 -0.20 121.76 129.45 1aq8 s ALA 169 Ca 0.61 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.90 1aq8 s ALA 169 Cb -0.37 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.25 1aq8 s ALA 169 CO 0.35 -0.72 -0.13 -0.51 0.00 0.00 0.00 175.76 174.74 1aq8 s LEU 170 N -0.78 2.95 -0.17 0.00 1.43 -0.56 -4.84 118.68 116.71 1aq8 s LEU 170 Ca 0.56 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1aq8 s LEU 170 Cb -0.41 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1aq8 s LEU 170 CO 0.46 -0.11 -0.19 -0.89 0.23 0.00 0.00 176.35 175.85 1aq8 s THR 171 N 1.21 2.21 0.21 5.49 2.01 -1.26 -4.03 115.64 121.48 1aq8 s THR 171 Ca -0.02 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 1aq8 s THR 171 Cb -0.17 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.35 1aq8 s THR 171 CO -0.08 0.53 0.53 -0.72 -0.69 0.00 0.00 174.62 174.20 1aq8 s TYR 172 N 1.13 3.44 -0.02 4.92 -0.85 -1.26 -4.87 117.35 119.84 1aq8 s TYR 172 Ca 0.01 0.85 0.11 0.00 -0.52 0.00 0.00 57.07 57.52 1aq8 s TYR 172 Cb -0.14 -2.24 -0.23 0.00 0.38 0.00 0.00 41.96 39.73 1aq8 s TYR 172 CO -0.08 0.30 0.74 -0.44 -1.52 0.00 0.00 175.55 174.55 1aq8 h ASP 173 N 2.65 0.01 -4.93 -0.18 3.32 -0.63 -3.48 116.42 113.19 1aq8 h ASP 173 Ca -0.47 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 1aq8 h ASP 173 Cb 1.17 -0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 1aq8 h ASP 173 CO 0.69 1.02 -0.70 -0.54 -1.72 0.00 0.00 179.24 178.00 1aq8 s LYS 174 N -2.61 0.64 -0.06 3.56 1.02 -0.93 -5.03 119.74 116.32 1aq8 s LYS 174 Ca -0.04 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.80 1aq8 s LYS 174 Cb 0.08 -0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1aq8 s LYS 174 CO 0.82 -0.05 0.12 -1.50 -0.92 0.00 0.00 175.35 173.83 1aq8 s ILE 175 N -3.16 -0.05 0.00 2.17 2.07 -1.26 -0.73 121.20 120.24 1aq8 s ILE 175 Ca 0.03 0.18 0.06 0.00 -1.41 0.00 0.00 60.65 59.51 1aq8 s ILE 175 Cb 0.02 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 1aq8 s ILE 175 CO -0.06 0.07 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.54 1aq8 s TYR 176 N 1.09 1.77 -0.31 3.50 2.02 -0.07 -4.43 117.35 120.93 1aq8 s TYR 176 Ca -0.09 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 1aq8 s TYR 176 Cb -0.11 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 1aq8 s TYR 176 CO -0.05 0.00 0.05 -0.47 -1.57 0.00 0.00 175.55 173.52 1aq8 s TYR 177 N -0.56 3.20 -0.38 2.71 5.04 0.48 -0.51 117.35 127.33 1aq8 s TYR 177 Ca 0.07 -1.42 -0.10 0.00 -2.44 0.00 0.00 57.07 53.19 1aq8 s TYR 177 Cb -0.08 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 40.07 1aq8 s TYR 177 CO -0.00 -0.71 0.20 0.08 -1.34 0.00 0.00 175.55 173.79 1aq8 s VAL 178 N 1.39 4.32 -0.24 3.14 1.01 0.85 -4.09 120.40 126.77 1aq8 s VAL 178 Ca -0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1aq8 s VAL 178 Cb -0.19 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1aq8 s VAL 178 CO 0.01 -0.31 0.31 -0.83 0.00 0.00 0.00 175.10 174.28 1aq8 s GLY 179 N 1.69 1.99 -0.16 4.51 0.00 -1.26 -1.92 107.32 112.17 1aq8 s GLY 179 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 1aq8 s GLY 179 CO 0.05 0.72 0.20 1.85 0.00 0.00 0.00 173.10 175.92 1aq8 s GLU 180 N 1.47 4.05 -0.08 2.90 2.12 0.03 -2.05 118.70 127.14 1aq8 s GLU 180 Ca 0.14 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.44 1aq8 s GLU 180 Cb -0.15 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1aq8 s GLU 180 CO 0.08 0.40 -0.18 -1.14 -0.54 0.00 0.00 175.26 173.87 1aq8 s GLN 181 N 0.04 2.34 -0.32 4.30 2.00 0.67 -4.48 119.66 124.21 1aq8 s GLN 181 Ca 0.13 -0.65 -0.12 0.00 -2.00 0.00 0.00 55.36 52.72 1aq8 s GLN 181 Cb -0.12 -1.84 -0.03 0.00 0.80 0.00 0.00 33.01 31.82 1aq8 s GLN 181 CO 0.02 0.12 0.21 0.16 -0.50 0.00 0.00 175.29 175.30 1aq8 s ASP 182 N 0.46 5.97 0.02 6.67 3.84 -1.26 -0.72 116.67 131.64 1aq8 s ASP 182 Ca -0.16 -0.31 0.00 0.00 -0.00 0.00 0.00 52.55 52.08 1aq8 s ASP 182 Cb -0.16 -2.11 -0.04 0.00 -1.38 0.00 0.00 42.92 39.22 1aq8 s ASP 182 CO 0.06 -0.17 0.10 -0.36 -0.00 0.00 0.00 175.17 174.80 1aq8 s PHE 183 N 1.72 3.31 -0.58 2.11 0.08 0.67 -4.77 117.98 120.52 1aq8 s PHE 183 Ca 0.06 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.35 1aq8 s PHE 183 Cb -0.17 -1.72 0.17 0.00 -0.57 0.00 0.00 43.02 40.73 1aq8 s PHE 183 CO 0.10 0.56 0.42 0.71 -0.10 0.00 0.00 175.22 176.90 1aq8 s TYR 184 N -1.28 2.59 -0.22 0.36 1.51 -1.26 -0.21 117.35 118.84 1aq8 s TYR 184 Ca 0.26 -2.92 -0.19 0.00 -1.01 0.00 0.00 57.07 53.21 1aq8 s TYR 184 Cb -0.12 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1aq8 s TYR 184 CO 0.18 -0.66 0.56 0.08 -1.11 0.00 0.00 175.55 174.59 1aq8 s VAL 185 N -0.78 5.06 0.68 0.71 1.01 -1.26 -4.77 120.40 121.06 1aq8 s VAL 185 Ca 0.27 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 1aq8 s VAL 185 Cb -0.04 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1aq8 s VAL 185 CO -0.16 0.12 1.18 -2.84 0.00 0.00 0.00 175.10 173.40 1aq8 s PRO 186 N 1.94 2.50 0.07 2.72 0.02 -1.26 -4.89 135.00 136.09 1aq8 s PRO 186 Ca 0.25 1.67 0.05 0.00 0.02 0.00 0.00 61.00 62.98 1aq8 s PRO 186 Cb -0.16 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1aq8 s PRO 186 CO 0.09 -1.54 -0.13 1.03 -0.33 0.00 0.00 177.00 176.12 1aq8 s ARG 187 N -3.84 0.78 0.95 5.54 0.52 -1.26 -0.84 118.95 120.79 1aq8 s ARG 187 Ca 0.73 -0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 1aq8 s ARG 187 Cb -0.27 -0.75 0.21 0.00 0.52 0.00 0.00 34.95 34.66 1aq8 s ARG 187 CO 0.42 0.17 1.29 0.16 0.02 0.00 0.00 175.30 177.35 1aq8 s ASP 188 N -1.70 3.10 0.53 0.23 1.47 0.47 -4.86 116.67 115.91 1aq8 s ASP 188 Ca -0.03 0.04 0.29 0.00 1.18 0.00 0.00 52.55 54.04 1aq8 s ASP 188 Cb -0.10 -0.06 1.45 0.00 -0.34 0.00 0.00 42.92 43.87 1aq8 s ASP 188 CO 0.02 -2.72 1.93 1.05 0.68 0.00 0.00 175.17 176.12 1aq8 h GLU 189 N -1.54 0.00 -0.00 2.11 4.11 -2.02 0.13 114.58 117.37 1aq8 h GLU 189 Ca -0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1aq8 h GLU 189 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1aq8 h GLU 189 CO 0.33 0.00 -0.01 0.09 0.07 0.00 0.00 179.01 179.50 1aq8 n ASN 190 N -4.31 0.29 0.00 3.06 3.02 -1.26 -4.90 115.26 111.17 1aq8 n ASN 190 Ca 0.15 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1aq8 n ASN 190 Cb 0.83 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1aq8 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aq8 n GLY 191 N 1.07 0.70 3.80 7.41 0.00 0.46 -5.04 105.19 113.59 1aq8 n GLY 191 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1aq8 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq8 s LYS 192 N -0.23 4.08 0.35 1.61 3.01 -1.26 -4.80 119.74 122.52 1aq8 s LYS 192 Ca 0.00 0.47 -0.28 0.00 -1.01 0.00 0.00 55.97 55.14 1aq8 s LYS 192 Cb 0.00 -3.28 -0.11 0.00 -1.01 0.00 0.00 37.83 33.43 1aq8 s LYS 192 CO 0.00 0.53 1.48 0.71 0.51 0.00 0.00 175.35 178.59 1aq8 s TYR 193 N -0.60 2.67 0.36 3.18 1.51 -1.26 -0.39 117.35 122.81 1aq8 s TYR 193 Ca 0.25 1.13 -0.08 0.00 -1.01 0.00 0.00 57.07 57.36 1aq8 s TYR 193 Cb -0.17 -3.99 -0.06 0.00 -0.11 0.00 0.00 41.96 37.64 1aq8 s TYR 193 CO 0.13 -2.96 0.68 0.15 -1.11 0.00 0.00 175.55 172.44 1aq8 s LYS 194 N -1.76 3.71 -0.03 -0.62 1.02 -0.02 -4.82 119.74 117.23 1aq8 s LYS 194 Ca 0.54 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.85 1aq8 s LYS 194 Cb -0.46 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.34 1aq8 s LYS 194 CO 0.59 0.07 -0.21 0.15 -0.92 0.00 0.00 175.35 175.03 1aq8 s LYS 195 N -3.73 1.93 0.21 1.68 1.02 -1.26 -4.80 119.74 114.78 1aq8 s LYS 195 Ca 0.48 -0.76 0.10 0.00 0.02 0.00 0.00 55.97 55.81 1aq8 s LYS 195 Cb -0.10 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1aq8 s LYS 195 CO 0.31 0.39 -0.20 0.71 -0.92 0.00 0.00 175.35 175.64 1aq8 s TYR 196 N -0.30 2.09 -0.00 3.18 2.02 -1.26 -5.08 117.35 118.00 1aq8 s TYR 196 Ca 0.03 -0.41 -0.23 0.00 -0.37 0.00 0.00 57.07 56.09 1aq8 s TYR 196 Cb -0.10 -0.99 -0.13 0.00 -0.40 0.00 0.00 41.96 40.33 1aq8 s TYR 196 CO 0.01 0.50 0.98 1.49 -1.57 0.00 0.00 175.55 176.96 1aq8 h GLU 197 N 2.89 -0.70 -6.06 -0.62 4.22 -2.01 -3.47 114.58 108.83 1aq8 h GLU 197 Ca -0.42 0.05 -0.60 0.00 0.08 0.00 0.00 59.36 58.46 1aq8 h GLU 197 Cb 1.22 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.51 1aq8 h GLU 197 CO 0.54 -0.43 -0.68 0.00 -2.18 0.00 0.00 179.01 176.26 1aq8 s ALA 198 N -4.60 2.98 0.17 2.92 0.00 -1.26 -5.05 121.76 116.91 1aq8 s ALA 198 Ca -0.12 -1.96 -0.15 0.00 0.00 0.00 0.00 51.96 49.73 1aq8 s ALA 198 Cb 0.01 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.98 1aq8 s ALA 198 CO 0.39 0.15 1.74 -1.35 0.00 0.00 0.00 175.76 176.69 1aq8 h PRO 199 N 2.02 0.24 -0.46 0.00 0.11 -1.94 -2.47 132.00 129.51 1aq8 h PRO 199 Ca -0.42 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.79 1aq8 h PRO 199 Cb 1.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1aq8 h PRO 199 CO 0.66 0.16 0.33 0.78 -0.21 0.00 0.00 178.00 179.71 1aq8 h GLY 200 N 0.25 0.13 2.00 -0.55 0.00 -1.99 -1.98 103.07 100.93 1aq8 h GLY 200 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1aq8 h GLY 200 CO -0.23 0.02 -0.07 -0.55 0.00 0.00 0.00 176.54 175.71 1aq8 h ASP 201 N 0.09 0.00 1.06 0.19 3.45 -1.85 -2.61 116.42 116.74 1aq8 h ASP 201 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1aq8 h ASP 201 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1aq8 h ASP 201 CO -0.02 0.07 -0.57 0.00 -1.57 0.00 0.00 179.24 177.15 1aq8 h ALA 202 N 1.93 0.65 -0.63 3.45 0.00 -1.48 -3.42 119.26 119.76 1aq8 h ALA 202 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1aq8 h ALA 202 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1aq8 h ALA 202 CO 0.01 0.00 -0.38 -0.92 0.00 0.00 0.00 179.25 177.96 1aq8 h TYR 203 N 0.00 -1.22 -0.14 0.00 5.03 -1.50 0.64 116.97 119.78 1aq8 h TYR 203 Ca 0.00 0.08 0.05 0.00 2.58 0.00 0.00 58.73 61.44 1aq8 h TYR 203 Cb 0.81 0.62 -0.05 0.00 1.55 0.00 0.00 36.73 39.65 1aq8 h TYR 203 CO 0.00 -0.24 -0.19 1.49 -1.32 0.00 0.00 178.16 177.90 1aq8 h GLU 204 N -0.01 -0.23 -0.50 1.82 4.81 -1.80 -0.60 114.58 118.07 1aq8 h GLU 204 Ca 0.10 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1aq8 h GLU 204 Cb 0.27 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1aq8 h GLU 204 CO -0.60 -0.15 0.09 -0.44 -0.73 0.00 0.00 179.01 177.18 1aq8 h ASP 205 N -0.24 0.72 -0.43 1.04 3.45 -1.77 -2.71 116.42 116.48 1aq8 h ASP 205 Ca 0.10 -0.13 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 1aq8 h ASP 205 Cb 0.39 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1aq8 h ASP 205 CO -0.28 0.73 0.04 0.74 -1.57 0.00 0.00 179.24 178.90 1aq8 h THR 206 N 0.74 1.25 -0.84 0.35 2.02 -0.39 -2.77 112.91 113.28 1aq8 h THR 206 Ca 0.16 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1aq8 h THR 206 Cb 0.32 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1aq8 h THR 206 CO 0.00 0.33 0.47 0.58 0.37 0.00 0.00 175.52 177.27 1aq8 h VAL 207 N 0.58 1.24 -0.76 3.16 2.07 -0.89 0.13 116.25 121.78 1aq8 h VAL 207 Ca 0.13 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1aq8 h VAL 207 Cb 0.43 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1aq8 h VAL 207 CO 0.01 0.27 0.41 0.11 0.02 0.00 0.00 177.57 178.39 1aq8 h LYS 208 N 1.17 1.06 -0.19 1.57 1.57 -1.34 -0.64 116.57 119.77 1aq8 h LYS 208 Ca 0.30 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 1aq8 h LYS 208 Cb 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1aq8 h LYS 208 CO -0.05 0.78 -0.64 0.28 -0.57 0.00 0.00 179.45 179.25 1aq8 h VAL 209 N 1.06 1.31 -0.76 0.50 2.07 -1.07 -3.20 116.25 116.16 1aq8 h VAL 209 Ca 0.27 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1aq8 h VAL 209 Cb 0.04 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1aq8 h VAL 209 CO -0.04 0.59 0.44 0.24 0.02 0.00 0.00 177.57 178.82 1aq8 h MET 210 N 0.50 1.04 0.00 1.57 2.86 -0.02 -2.56 114.93 118.32 1aq8 h MET 210 Ca -0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1aq8 h MET 210 Cb 1.23 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1aq8 h MET 210 CO 0.13 0.75 0.00 0.00 1.06 0.00 0.00 176.91 178.85 1aq8 h ARG 211 N 1.04 0.00 0.00 1.72 3.08 -1.14 0.38 114.38 119.47 1aq8 h ARG 211 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1aq8 h ARG 211 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1aq8 h ARG 211 CO -0.05 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.64 1aq8 h THR 212 N 0.00 0.00 -1.00 2.04 1.35 -1.52 -3.46 112.91 110.32 1aq8 h THR 212 Ca 0.00 -0.43 -0.38 0.00 -0.55 0.00 0.00 66.41 65.05 1aq8 h THR 212 Cb 0.13 1.31 -0.14 0.00 -1.73 0.00 0.00 68.15 67.72 1aq8 h THR 212 CO 0.00 0.00 -0.36 0.18 -0.25 0.00 0.00 175.52 175.09 1aq8 n LEU 213 N -2.48 -1.40 -3.99 3.87 4.77 0.12 -4.95 117.00 112.95 1aq8 n LEU 213 Ca 0.03 0.43 -0.31 0.00 -0.03 0.00 0.00 56.01 56.14 1aq8 n LEU 213 Cb 0.33 -2.63 -0.15 0.00 -2.33 0.00 0.00 43.42 38.64 1aq8 n LEU 213 CO 0.25 -0.93 -0.29 -0.89 -1.33 0.00 0.00 177.39 174.20 1aq8 s THR 214 N -2.71 2.32 0.55 -5.08 2.01 -1.26 -5.10 115.64 106.36 1aq8 s THR 214 Ca 0.00 -2.60 -0.21 0.00 0.31 0.00 0.00 61.69 59.19 1aq8 s THR 214 Cb 0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1aq8 s THR 214 CO 0.00 -0.66 1.25 -2.16 -0.69 0.00 0.00 174.62 172.36 1aq8 s PRO 215 N 0.58 3.20 0.20 4.92 0.04 -1.26 -4.92 135.00 137.76 1aq8 s PRO 215 Ca 0.13 1.97 0.17 0.00 0.04 0.00 0.00 61.00 63.30 1aq8 s PRO 215 Cb -0.21 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1aq8 s PRO 215 CO -0.06 -1.06 1.19 1.79 0.04 0.00 0.00 177.00 178.90 1aq8 h THR 216 N 1.30 0.61 -3.62 1.26 1.35 -0.94 -3.46 112.91 109.40 1aq8 h THR 216 Ca -0.50 -1.96 -0.20 0.00 -0.55 0.00 0.00 66.41 63.19 1aq8 h THR 216 Cb 1.29 2.18 -0.26 0.00 -1.73 0.00 0.00 68.15 69.62 1aq8 h THR 216 CO 0.57 0.35 -0.64 -1.00 -0.25 0.00 0.00 175.52 174.54 1aq8 s HIS 217 N -3.00 -0.02 -0.28 4.73 3.76 -1.08 -4.89 115.29 114.52 1aq8 s HIS 217 Ca 0.01 0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1aq8 s HIS 217 Cb 0.08 -0.01 0.09 0.00 1.11 0.00 0.00 32.58 33.85 1aq8 s HIS 217 CO 0.77 -0.07 0.09 0.08 -0.85 0.00 0.00 174.74 174.76 1aq8 s VAL 218 N -0.24 0.59 0.33 -0.90 1.01 -0.74 -0.24 120.40 120.21 1aq8 s VAL 218 Ca -0.03 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1aq8 s VAL 218 Cb -0.02 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1aq8 s VAL 218 CO 0.00 -0.59 -0.10 0.68 0.00 0.00 0.00 175.10 175.09 1aq8 s VAL 219 N 1.78 2.18 -0.14 2.92 -7.23 0.10 -0.19 120.40 119.82 1aq8 s VAL 219 Ca 0.07 -2.21 -0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1aq8 s VAL 219 Cb -0.17 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1aq8 s VAL 219 CO -0.24 -0.23 -0.05 -0.36 -0.31 0.00 0.00 175.10 173.91 1aq8 s PHE 220 N -2.65 3.00 -1.45 2.82 0.08 -1.26 -0.24 117.98 118.29 1aq8 s PHE 220 Ca 0.32 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 57.01 1aq8 s PHE 220 Cb 0.02 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1aq8 s PHE 220 CO 0.16 0.02 0.96 -1.71 -0.10 0.00 0.00 175.22 174.54 1aq8 n ASN 221 N 3.31 -5.78 0.00 1.36 4.05 -0.87 -3.22 115.26 114.11 1aq8 n ASN 221 Ca -0.18 -0.53 0.00 0.00 0.45 0.00 0.00 54.58 54.32 1aq8 n ASN 221 Cb 0.53 -4.60 0.00 0.00 1.23 0.00 0.00 39.78 36.94 1aq8 n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1aq8 n GLY 222 N -1.77 2.42 3.45 8.20 0.00 -0.79 -4.77 105.19 111.94 1aq8 n GLY 222 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1aq8 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 s ALA 223 N -2.79 -1.67 0.13 4.61 0.00 -1.20 -4.65 121.76 116.20 1aq8 s ALA 223 Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 1aq8 s ALA 223 Cb 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 23.12 23.69 1aq8 s ALA 223 CO 0.00 -0.70 1.60 0.08 0.00 0.00 0.00 175.76 176.74 1aq8 s VAL 224 N -3.27 2.75 -0.35 0.00 1.01 -0.24 -1.78 120.40 118.53 1aq8 s VAL 224 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1aq8 s VAL 224 Cb -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1aq8 s VAL 224 CO -0.09 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1aq8 n GLY 225 N 3.84 0.57 0.29 4.51 0.00 -1.26 -4.84 105.19 108.31 1aq8 n GLY 225 Ca 0.15 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1aq8 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 h ALA 226 N 0.00 1.58 -0.50 4.61 0.00 -1.54 -2.22 119.26 121.19 1aq8 h ALA 226 Ca -0.07 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1aq8 h ALA 226 Cb 0.48 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.02 1aq8 h ALA 226 CO 0.10 0.01 -0.46 1.28 0.00 0.00 0.00 179.25 180.17 1aq8 n LEU 227 N -3.94 4.44 -4.63 0.00 4.77 -1.26 -4.79 117.00 111.59 1aq8 n LEU 227 Ca -0.03 -4.32 -0.29 0.00 -0.03 0.00 0.00 56.01 51.34 1aq8 n LEU 227 Cb 0.09 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1aq8 n LEU 227 CO 0.28 1.72 -0.21 0.42 -1.33 0.00 0.00 177.39 178.28 1aq8 s THR 228 N -4.02 0.74 0.00 -5.08 -4.23 -0.84 -1.12 115.64 101.10 1aq8 s THR 228 Ca 0.48 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1aq8 s THR 228 Cb 0.41 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1aq8 s THR 228 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1aq8 n GLY 229 N -1.10 3.60 0.04 3.99 0.00 -1.26 -1.11 105.19 109.34 1aq8 n GLY 229 Ca -0.13 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1aq8 n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aq8 n ASP 230 N 5.03 0.21 -1.63 1.61 10.43 -1.26 -2.32 116.55 128.61 1aq8 n ASP 230 Ca 0.00 0.54 -0.05 0.00 2.57 0.00 0.00 54.79 57.85 1aq8 n ASP 230 Cb 0.00 -0.59 0.26 0.00 1.84 0.00 0.00 41.12 42.63 1aq8 n ASP 230 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1aq8 n LYS 231 N -1.72 2.99 -2.65 -1.24 5.02 -0.27 -4.98 118.16 115.30 1aq8 n LYS 231 Ca 0.04 -3.06 -0.36 0.00 -2.02 0.00 0.00 58.31 52.91 1aq8 n LYS 231 Cb 0.23 -2.06 -0.05 0.00 -0.02 0.00 0.00 35.03 33.13 1aq8 n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aq8 s ALA 232 N -3.06 3.12 0.47 7.82 0.00 -0.98 -3.88 121.76 125.25 1aq8 s ALA 232 Ca 0.51 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 1aq8 s ALA 232 Cb 0.42 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 1aq8 s ALA 232 CO 0.09 -0.04 1.07 -1.64 0.00 0.00 0.00 175.76 175.24 1aq8 s MET 233 N -2.43 3.81 0.30 0.00 -1.94 -0.67 -4.77 119.30 113.60 1aq8 s MET 233 Ca 0.56 1.48 0.10 0.00 -1.71 0.00 0.00 55.69 56.11 1aq8 s MET 233 Cb -0.19 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.38 1aq8 s MET 233 CO 0.25 -0.44 -0.02 0.95 -0.01 0.00 0.00 175.02 175.75 1aq8 s THR 234 N -1.83 3.01 0.16 2.05 -4.23 -1.26 -0.30 115.64 113.23 1aq8 s THR 234 Ca 0.66 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.94 1aq8 s THR 234 Cb -0.20 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.95 1aq8 s THR 234 CO 0.24 -0.31 1.01 0.00 -0.54 0.00 0.00 174.62 175.02 1aq8 s ALA 235 N -2.42 -1.66 0.07 3.99 0.00 -0.80 -4.90 121.76 116.04 1aq8 s ALA 235 Ca 0.33 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1aq8 s ALA 235 Cb -0.04 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1aq8 s ALA 235 CO 0.19 -1.05 -0.07 0.00 0.00 0.00 0.00 175.76 174.83 1aq8 s ALA 236 N -2.82 0.74 0.27 0.00 0.00 -1.26 -1.35 121.76 117.34 1aq8 s ALA 236 Ca 0.16 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.75 1aq8 s ALA 236 Cb -0.01 0.12 -0.12 0.00 0.00 0.00 0.00 23.12 23.10 1aq8 s ALA 236 CO 0.03 -0.15 1.55 0.28 0.00 0.00 0.00 175.76 177.47 1aq8 n VAL 237 N 0.69 0.90 -0.01 0.00 0.31 0.53 -0.99 118.33 119.76 1aq8 n VAL 237 Ca -0.17 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1aq8 n VAL 237 Cb 0.58 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1aq8 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aq8 n GLY 238 N 2.32 1.40 3.76 2.92 0.00 0.95 -4.99 105.19 111.54 1aq8 n GLY 238 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1aq8 n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aq8 s GLU 239 N -0.53 4.59 -0.27 1.61 2.12 -0.16 -4.81 118.70 121.25 1aq8 s GLU 239 Ca 0.00 1.20 -0.13 0.00 0.36 0.00 0.00 54.97 56.41 1aq8 s GLU 239 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1aq8 s GLU 239 CO 0.00 0.41 0.27 0.15 -0.54 0.00 0.00 175.26 175.55 1aq8 s LYS 240 N -0.61 4.00 -0.05 4.30 1.02 -1.26 -1.63 119.74 125.52 1aq8 s LYS 240 Ca 0.39 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.29 1aq8 s LYS 240 Cb -0.23 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.43 1aq8 s LYS 240 CO 0.26 -0.18 -0.24 0.08 -0.92 0.00 0.00 175.35 174.35 1aq8 s VAL 241 N 1.77 1.95 -0.23 3.17 1.01 0.49 0.21 120.40 128.78 1aq8 s VAL 241 Ca 0.11 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1aq8 s VAL 241 Cb -0.16 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1aq8 s VAL 241 CO 0.10 0.55 0.06 -0.22 0.00 0.00 0.00 175.10 175.58 1aq8 s LEU 242 N -0.24 3.52 -0.37 3.92 2.96 0.09 -1.12 118.68 127.44 1aq8 s LEU 242 Ca -0.00 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1aq8 s LEU 242 Cb -0.12 -1.92 0.09 0.00 0.50 0.00 0.00 46.19 44.73 1aq8 s LEU 242 CO 0.02 0.03 0.13 -0.63 -1.32 0.00 0.00 176.35 174.59 1aq8 s ILE 243 N 1.22 3.16 0.02 6.68 1.01 0.53 -0.89 121.20 132.93 1aq8 s ILE 243 Ca 0.04 -1.86 -0.25 0.00 0.00 0.00 0.00 60.65 58.59 1aq8 s ILE 243 Cb -0.14 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 1aq8 s ILE 243 CO 0.03 -0.51 0.77 -0.69 0.00 0.00 0.00 174.94 174.54 1aq8 s VAL 244 N 1.16 4.81 0.02 2.92 1.01 0.33 -1.51 120.40 129.15 1aq8 s VAL 244 Ca 0.04 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1aq8 s VAL 244 Cb -0.22 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1aq8 s VAL 244 CO -0.03 0.33 -0.13 -2.28 0.00 0.00 0.00 175.10 172.98 1aq8 s HIS 245 N 0.20 1.19 0.03 5.22 2.46 0.12 -0.11 115.29 124.40 1aq8 s HIS 245 Ca 0.39 -0.30 -0.05 0.00 0.47 0.00 0.00 55.06 55.57 1aq8 s HIS 245 Cb -0.20 -0.73 -0.01 0.00 -0.13 0.00 0.00 32.58 31.51 1aq8 s HIS 245 CO 0.22 0.01 0.08 -1.54 -2.47 0.00 0.00 174.74 171.05 1aq8 s SER 246 N -0.83 0.18 -0.25 9.88 1.04 -0.81 -0.45 113.70 122.46 1aq8 s SER 246 Ca 0.03 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 1aq8 s SER 246 Cb -0.07 0.21 0.13 0.00 0.10 0.00 0.00 66.02 66.40 1aq8 s SER 246 CO 0.01 -0.48 0.38 -1.58 0.98 0.00 0.00 173.24 172.54 1aq8 s GLN 247 N -2.44 0.35 0.00 4.02 -0.44 -1.05 -0.79 119.66 119.31 1aq8 s GLN 247 Ca -0.06 0.51 0.29 0.00 -2.50 0.00 0.00 55.36 53.59 1aq8 s GLN 247 Cb -0.02 -0.48 1.22 0.00 -1.64 0.00 0.00 33.01 32.09 1aq8 s GLN 247 CO -0.04 -0.66 1.91 0.00 0.50 0.00 0.00 175.29 177.00 1aq8 n ALA 248 N 5.36 2.40 0.00 1.58 0.00 -1.26 0.03 120.51 128.62 1aq8 n ALA 248 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1aq8 n ALA 248 Cb 0.50 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1aq8 n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aq8 n ASN 249 N -1.48 0.26 -4.00 0.00 5.15 -1.26 -3.35 115.26 110.58 1aq8 n ASN 249 Ca 0.07 -0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.96 1aq8 n ASN 249 Cb 0.33 0.06 -0.10 0.00 -0.53 0.00 0.00 39.78 39.54 1aq8 n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1aq8 s ARG 250 N -0.11 0.47 0.76 1.20 3.52 -1.26 -4.67 118.95 118.85 1aq8 s ARG 250 Ca 0.00 -0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 54.66 1aq8 s ARG 250 Cb 0.00 0.17 0.05 0.00 -1.56 0.00 0.00 34.95 33.61 1aq8 s ARG 250 CO 0.00 -0.09 1.15 -0.51 -0.81 0.00 0.00 175.30 175.04 1aq8 s ASP 251 N -2.03 4.21 0.12 -2.12 -0.00 -1.26 -3.50 116.67 112.09 1aq8 s ASP 251 Ca -0.07 2.15 -0.13 0.00 -0.00 0.00 0.00 52.55 54.50 1aq8 s ASP 251 Cb -0.03 -2.56 0.02 0.00 -0.00 0.00 0.00 42.92 40.35 1aq8 s ASP 251 CO -0.04 -2.25 0.33 0.28 -0.00 0.00 0.00 175.17 173.49 1aq8 s THR 252 N -2.35 0.09 -0.42 -1.27 -1.32 -0.22 -4.86 115.64 105.29 1aq8 s THR 252 Ca 0.69 -0.85 0.04 0.00 -1.21 0.00 0.00 61.69 60.36 1aq8 s THR 252 Cb -0.24 -1.30 0.17 0.00 -1.51 0.00 0.00 72.50 69.62 1aq8 s THR 252 CO 0.49 -0.41 0.34 0.00 -2.21 0.00 0.00 174.62 172.82 1aq8 s ARG 253 N -3.84 0.96 0.43 7.08 1.70 -1.26 -0.93 118.95 123.09 1aq8 s ARG 253 Ca 0.05 -2.13 -0.25 0.00 -0.47 0.00 0.00 55.73 52.93 1aq8 s ARG 253 Cb 0.03 -1.50 -0.09 0.00 -0.57 0.00 0.00 34.95 32.81 1aq8 s ARG 253 CO -0.10 -1.37 1.28 -2.30 -1.08 0.00 0.00 175.30 171.72 1aq8 n PRO 254 N 2.87 1.91 -3.69 3.89 -0.02 -1.12 -0.12 135.00 138.73 1aq8 n PRO 254 Ca 0.28 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 62.34 1aq8 n PRO 254 Cb 0.47 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 1aq8 n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1aq8 s HIS 255 N -1.21 -0.67 -0.54 6.00 2.46 0.02 -1.79 115.29 119.55 1aq8 s HIS 255 Ca 0.62 1.47 -0.14 0.00 0.47 0.00 0.00 55.06 57.48 1aq8 s HIS 255 Cb -0.50 0.30 0.13 0.00 -0.13 0.00 0.00 32.58 32.39 1aq8 s HIS 255 CO 0.57 -0.35 0.48 -1.17 -2.47 0.00 0.00 174.74 171.80 1aq8 s LEU 256 N 1.00 6.08 0.06 8.88 2.96 -1.26 -0.62 118.68 135.78 1aq8 s LEU 256 Ca -0.06 -1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 51.63 1aq8 s LEU 256 Cb -0.06 -2.15 -0.09 0.00 0.50 0.00 0.00 46.19 44.39 1aq8 s LEU 256 CO -0.09 -0.78 1.92 -0.63 -1.32 0.00 0.00 176.35 175.45 1aq8 s ILE 257 N 1.39 2.86 0.00 6.68 -1.09 0.14 -0.59 121.20 130.60 1aq8 s ILE 257 Ca 0.05 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1aq8 s ILE 257 Cb -0.27 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1aq8 s ILE 257 CO 0.01 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1aq8 n GLY 258 N 4.43 0.69 0.00 6.18 0.00 -1.26 -3.53 105.19 111.70 1aq8 n GLY 258 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1aq8 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 259 N -2.00 5.78 3.53 -0.02 0.00 0.24 -5.00 105.19 107.73 1aq8 n GLY 259 Ca 0.00 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 1aq8 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aq8 s HIS 260 N -0.55 0.97 -0.59 1.61 0.09 -1.26 -4.69 115.29 110.87 1aq8 s HIS 260 Ca 0.00 -1.26 -0.01 0.00 -0.00 0.00 0.00 55.06 53.79 1aq8 s HIS 260 Cb 0.00 0.04 0.15 0.00 -0.00 0.00 0.00 32.58 32.77 1aq8 s HIS 260 CO 0.00 -1.22 0.39 0.20 -0.00 0.00 0.00 174.74 174.11 1aq8 s GLY 261 N -3.23 2.48 0.27 -2.22 0.00 0.22 -4.75 107.32 100.09 1aq8 s GLY 261 Ca 0.29 -3.24 0.00 0.00 0.00 0.00 0.00 44.72 41.77 1aq8 s GLY 261 CO 0.20 1.08 1.71 -0.55 0.00 0.00 0.00 173.10 175.54 1aq8 h ASP 262 N 6.92 0.32 -3.36 1.64 3.32 -1.50 -0.99 116.42 122.78 1aq8 h ASP 262 Ca -0.03 0.13 -0.37 0.00 0.02 0.00 0.00 57.03 56.78 1aq8 h ASP 262 Cb 0.94 0.11 -0.37 0.00 0.22 0.00 0.00 39.33 40.23 1aq8 h ASP 262 CO 0.70 0.06 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.22 1aq8 s TYR 263 N -5.95 0.26 -0.16 4.55 1.51 -0.99 -2.18 117.35 114.39 1aq8 s TYR 263 Ca -0.12 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1aq8 s TYR 263 Cb 0.23 -0.52 0.04 0.00 -0.11 0.00 0.00 41.96 41.60 1aq8 s TYR 263 CO 0.77 -0.20 -0.04 0.08 -1.11 0.00 0.00 175.55 175.05 1aq8 s VAL 264 N 1.77 0.99 -1.25 0.71 1.01 0.18 0.15 120.40 123.96 1aq8 s VAL 264 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1aq8 s VAL 264 Cb -0.12 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.20 1aq8 s VAL 264 CO -0.03 0.11 1.56 0.79 0.00 0.00 0.00 175.10 177.53 1aq8 n TRP 265 N 4.91 4.73 -0.35 5.22 8.01 0.50 -0.97 117.44 139.48 1aq8 n TRP 265 Ca -0.11 -3.18 0.09 0.00 -1.31 0.00 0.00 57.50 52.98 1aq8 n TRP 265 Cb 0.48 -2.30 0.27 0.00 -2.01 0.00 0.00 31.31 27.74 1aq8 n TRP 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1aq8 h ALA 266 N 7.12 1.57 0.00 6.99 0.00 -1.90 0.31 119.26 133.36 1aq8 h ALA 266 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1aq8 h ALA 266 Cb 0.85 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1aq8 h ALA 266 CO 1.34 0.16 -0.05 0.25 0.00 0.00 0.00 179.25 180.95 1aq8 n THR 267 N -4.63 0.26 -0.04 0.00 -2.24 -1.26 -4.54 114.28 101.83 1aq8 n THR 267 Ca 0.19 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1aq8 n THR 267 Cb 0.40 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1aq8 n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aq8 n GLY 268 N 1.41 2.18 3.61 3.38 0.00 0.06 -4.66 105.19 111.18 1aq8 n GLY 268 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1aq8 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq8 s LYS 269 N -0.25 4.05 0.56 1.61 -0.14 -1.26 -0.52 119.74 123.79 1aq8 s LYS 269 Ca 0.00 0.22 0.31 0.00 -1.36 0.00 0.00 55.97 55.14 1aq8 s LYS 269 Cb 0.00 -3.65 1.65 0.00 -1.68 0.00 0.00 37.83 34.15 1aq8 s LYS 269 CO 0.00 -0.32 2.14 0.74 -0.76 0.00 0.00 175.35 177.15 1aq8 h PHE 270 N 8.06 0.00 0.00 3.18 0.05 -1.77 -1.22 116.94 125.24 1aq8 h PHE 270 Ca -0.30 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.49 1aq8 h PHE 270 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.10 1aq8 h PHE 270 CO 0.75 0.07 0.00 0.09 -0.18 0.00 0.00 178.31 179.05 1aq8 n ASN 271 N -3.55 0.00 -4.53 2.17 3.02 -1.26 -4.57 115.26 106.54 1aq8 n ASN 271 Ca -0.02 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1aq8 n ASN 271 Cb 0.19 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 1aq8 n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aq8 s THR 272 N -2.82 5.26 0.18 3.41 2.01 -0.46 -5.04 115.64 118.18 1aq8 s THR 272 Ca 0.20 -0.20 -0.32 0.00 0.31 0.00 0.00 61.69 61.67 1aq8 s THR 272 Cb 0.19 -3.76 -0.16 0.00 0.01 0.00 0.00 72.50 68.79 1aq8 s THR 272 CO 0.49 -0.05 1.05 -2.65 -0.69 0.00 0.00 174.62 172.77 1aq8 n PRO 273 N 5.17 0.95 -2.54 4.92 -0.02 -1.26 -4.84 135.00 137.37 1aq8 n PRO 273 Ca -0.12 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 1aq8 n PRO 273 Cb 0.49 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 1aq8 n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1aq8 s PRO 274 N -0.60 3.80 0.61 0.52 0.04 -1.26 -4.92 135.00 133.20 1aq8 s PRO 274 Ca 0.71 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1aq8 s PRO 274 Cb -0.87 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1aq8 s PRO 274 CO 0.54 -0.43 1.03 -0.51 0.04 0.00 0.00 177.00 177.67 1aq8 s ASP 275 N -1.96 6.20 0.16 6.66 1.01 -0.15 -4.75 116.67 123.85 1aq8 s ASP 275 Ca 0.67 1.45 0.08 0.00 0.71 0.00 0.00 52.55 55.47 1aq8 s ASP 275 Cb -0.17 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1aq8 s ASP 275 CO 0.20 -0.89 -0.18 0.68 0.21 0.00 0.00 175.17 175.20 1aq8 s VAL 276 N -3.10 1.80 -1.43 -1.27 -7.23 -1.26 -0.64 120.40 107.25 1aq8 s VAL 276 Ca 0.56 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1aq8 s VAL 276 Cb -0.11 -1.83 0.04 0.00 0.56 0.00 0.00 36.38 35.04 1aq8 s VAL 276 CO 0.52 -0.32 0.62 0.47 -0.31 0.00 0.00 175.10 176.08 1aq8 n ASP 277 N 0.31 -5.01 -4.74 4.85 10.43 -0.93 -4.91 116.55 116.55 1aq8 n ASP 277 Ca -0.13 -0.38 -0.41 0.00 2.57 0.00 0.00 54.79 56.43 1aq8 n ASP 277 Cb 0.57 -4.07 -0.03 0.00 1.84 0.00 0.00 41.12 39.43 1aq8 n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1aq8 s GLN 278 N -5.94 4.33 -0.17 -1.24 -1.52 -0.38 -4.79 119.66 109.94 1aq8 s GLN 278 Ca 0.39 2.18 -0.17 0.00 -1.95 0.00 0.00 55.36 55.81 1aq8 s GLN 278 Cb -0.19 -3.15 -0.22 0.00 -0.22 0.00 0.00 33.01 29.22 1aq8 s GLN 278 CO 0.48 -0.34 0.31 1.05 -0.25 0.00 0.00 175.29 176.54 1aq8 h GLU 279 N 5.27 0.10 -2.92 2.91 4.11 -1.91 0.66 114.58 122.80 1aq8 h GLU 279 Ca -0.45 -0.18 -0.20 0.00 0.07 0.00 0.00 59.36 58.60 1aq8 h GLU 279 Cb 1.22 0.07 -0.31 0.00 0.50 0.00 0.00 28.75 30.22 1aq8 h GLU 279 CO 0.78 1.08 -0.50 0.99 0.07 0.00 0.00 179.01 181.43 1aq8 s THR 280 N -2.43 -0.23 0.43 -1.06 2.01 -1.26 -4.34 115.64 108.75 1aq8 s THR 280 Ca -0.26 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1aq8 s THR 280 Cb 0.06 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1aq8 s THR 280 CO 0.66 0.09 0.47 -1.66 -0.69 0.00 0.00 174.62 173.49 1aq8 s TRP 281 N 1.86 2.69 -0.06 4.92 -2.14 -0.74 -4.99 118.94 120.48 1aq8 s TRP 281 Ca -0.04 -0.47 0.04 0.00 2.66 0.00 0.00 56.10 58.29 1aq8 s TRP 281 Cb -0.11 -2.25 0.00 0.00 -3.10 0.00 0.00 33.47 28.01 1aq8 s TRP 281 CO -0.09 -0.28 -0.18 0.12 -2.66 0.00 0.00 176.95 173.87 1aq8 s PHE 282 N -2.44 1.86 -0.20 1.66 5.36 -1.26 -2.77 117.98 120.19 1aq8 s PHE 282 Ca 0.51 -0.64 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1aq8 s PHE 282 Cb -0.06 -1.27 0.04 0.00 -0.34 0.00 0.00 43.02 41.39 1aq8 s PHE 282 CO 0.30 -0.26 -0.09 0.42 -1.46 0.00 0.00 175.22 174.14 1aq8 s ILE 283 N 0.28 1.51 0.67 3.12 1.01 -0.10 -4.74 121.20 122.94 1aq8 s ILE 283 Ca -0.10 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.46 1aq8 s ILE 283 Cb -0.14 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1aq8 s ILE 283 CO 0.04 0.13 1.09 -2.16 0.00 0.00 0.00 174.94 174.04 1aq8 s PRO 284 N 1.45 2.83 0.28 2.79 0.04 -1.26 -1.06 135.00 140.06 1aq8 s PRO 284 Ca -0.01 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 1aq8 s PRO 284 Cb -0.16 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 1aq8 s PRO 284 CO -0.08 -1.21 1.62 0.20 0.04 0.00 0.00 177.00 177.57 1aq8 s GLY 285 N -2.84 1.94 0.00 0.56 0.00 -1.23 -2.35 107.32 103.40 1aq8 s GLY 285 Ca 0.65 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.94 1aq8 s GLY 285 CO 0.44 2.61 0.00 0.61 0.00 0.00 0.00 173.10 176.76 1aq8 n GLY 286 N 2.51 0.83 3.44 0.20 0.00 0.10 -4.78 105.19 107.50 1aq8 n GLY 286 Ca 0.10 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1aq8 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 s ALA 287 N -2.00 0.08 0.17 4.61 0.00 -0.99 -4.83 121.76 118.80 1aq8 s ALA 287 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1aq8 s ALA 287 Cb 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 1aq8 s ALA 287 CO 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 175.76 174.88 1aq8 s ALA 288 N -4.03 1.78 0.17 0.00 0.00 -1.26 -2.54 121.76 115.88 1aq8 s ALA 288 Ca 0.24 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 1aq8 s ALA 288 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1aq8 s ALA 288 CO 0.07 0.05 0.15 0.20 0.00 0.00 0.00 175.76 176.23 1aq8 s GLY 289 N -3.04 1.08 -0.05 0.00 0.00 0.40 -3.04 107.32 102.68 1aq8 s GLY 289 Ca 0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 1aq8 s GLY 289 CO 0.05 -1.25 0.09 0.00 0.00 0.00 0.00 173.10 171.99 1aq8 s ALA 290 N -4.08 -0.09 -0.08 3.20 0.00 -0.96 -0.70 121.76 119.04 1aq8 s ALA 290 Ca 0.29 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1aq8 s ALA 290 Cb 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1aq8 s ALA 290 CO 0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 175.76 175.45 1aq8 s ALA 291 N 1.23 2.33 -0.15 0.00 0.00 -0.57 -0.37 121.76 124.23 1aq8 s ALA 291 Ca -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1aq8 s ALA 291 Cb -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1aq8 s ALA 291 CO -0.05 0.38 -0.05 0.12 0.00 0.00 0.00 175.76 176.16 1aq8 s PHE 292 N -0.06 2.99 -0.14 0.00 2.19 0.12 -0.34 117.98 122.74 1aq8 s PHE 292 Ca -0.05 -0.33 -0.11 0.00 0.33 0.00 0.00 56.93 56.77 1aq8 s PHE 292 Cb -0.14 -1.92 0.04 0.00 -1.31 0.00 0.00 43.02 39.68 1aq8 s PHE 292 CO 0.04 -0.03 0.35 -0.47 1.83 0.00 0.00 175.22 176.95 1aq8 s TYR 293 N 0.27 -0.42 -0.32 10.12 5.04 -0.27 -1.35 117.35 130.42 1aq8 s TYR 293 Ca -0.04 0.99 -0.09 0.00 -2.44 0.00 0.00 57.07 55.49 1aq8 s TYR 293 Cb -0.14 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.32 1aq8 s TYR 293 CO 0.03 -0.22 0.14 0.99 -1.34 0.00 0.00 175.55 175.16 1aq8 s THR 294 N 0.46 4.38 0.24 4.34 2.01 -1.26 -0.38 115.64 125.43 1aq8 s THR 294 Ca -0.02 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 1aq8 s THR 294 Cb -0.04 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 1aq8 s THR 294 CO -0.02 -0.01 1.42 -0.36 -0.69 0.00 0.00 174.62 174.96 1aq8 s PHE 295 N 1.56 3.06 -0.01 4.92 0.40 -0.64 -4.88 117.98 122.38 1aq8 s PHE 295 Ca 0.03 1.06 0.07 0.00 -0.60 0.00 0.00 56.93 57.49 1aq8 s PHE 295 Cb -0.18 -3.78 -0.11 0.00 0.51 0.00 0.00 43.02 39.46 1aq8 s PHE 295 CO 0.05 -2.54 0.16 1.04 0.70 0.00 0.00 175.22 174.63 1aq8 n GLN 296 N 2.41 0.34 -4.45 0.44 1.13 -1.26 -0.03 117.38 115.95 1aq8 n GLN 296 Ca 0.07 -0.07 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 1aq8 n GLN 296 Cb 0.41 -1.18 -0.14 0.00 0.11 0.00 0.00 30.24 29.44 1aq8 n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1aq8 s GLN 297 N -2.50 1.07 0.92 -1.09 -1.52 -1.26 -4.64 119.66 110.63 1aq8 s GLN 297 Ca -0.03 -0.78 -0.13 0.00 -1.95 0.00 0.00 55.36 52.47 1aq8 s GLN 297 Cb 0.05 -1.10 0.19 0.00 -0.22 0.00 0.00 33.01 31.93 1aq8 s GLN 297 CO 0.31 0.28 1.26 -1.25 -0.25 0.00 0.00 175.29 175.64 1aq8 s PRO 298 N -1.08 0.79 0.00 2.91 0.04 -1.26 -4.80 135.00 131.59 1aq8 s PRO 298 Ca 0.03 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.47 1aq8 s PRO 298 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1aq8 s PRO 298 CO 0.01 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1aq8 n GLY 299 N -3.59 -0.96 3.85 0.56 0.00 0.25 -4.91 105.19 100.39 1aq8 n GLY 299 Ca 0.16 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1aq8 n GLY 299 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aq8 s ILE 300 N 0.00 5.45 0.24 -0.61 2.07 -1.26 -0.72 121.20 126.37 1aq8 s ILE 300 Ca 0.00 0.27 0.12 0.00 -1.41 0.00 0.00 60.65 59.63 1aq8 s ILE 300 Cb 0.00 -3.44 -0.05 0.00 0.13 0.00 0.00 42.46 39.10 1aq8 s ILE 300 CO 0.00 0.59 -0.21 -0.31 -1.91 0.00 0.00 174.94 173.10 1aq8 s TYR 301 N -0.82 2.31 -0.18 3.50 1.51 0.34 -4.95 117.35 119.07 1aq8 s TYR 301 Ca 0.15 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1aq8 s TYR 301 Cb -0.12 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1aq8 s TYR 301 CO 0.04 0.61 -0.20 0.00 -1.11 0.00 0.00 175.55 174.89 1aq8 s ALA 302 N -2.08 2.34 -0.30 3.71 0.00 -1.23 -1.05 121.76 123.14 1aq8 s ALA 302 Ca 0.25 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1aq8 s ALA 302 Cb -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1aq8 s ALA 302 CO 0.13 -0.34 0.18 -0.47 0.00 0.00 0.00 175.76 175.26 1aq8 s TYR 303 N 1.28 3.20 0.30 0.00 5.04 0.41 0.28 117.35 127.87 1aq8 s TYR 303 Ca 0.05 -0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.51 1aq8 s TYR 303 Cb -0.13 -2.39 -0.04 0.00 0.35 0.00 0.00 41.96 39.76 1aq8 s TYR 303 CO -0.13 -0.31 0.16 0.14 -1.34 0.00 0.00 175.55 174.07 1aq8 s VAL 304 N 1.70 0.34 -0.32 3.14 -7.23 0.20 0.17 120.40 118.41 1aq8 s VAL 304 Ca 0.06 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 1aq8 s VAL 304 Cb -0.17 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1aq8 s VAL 304 CO 0.09 0.00 0.53 0.21 -0.31 0.00 0.00 175.10 175.62 1aq8 s ASN 305 N -3.38 6.37 0.00 4.85 3.84 -0.99 -0.80 114.94 124.83 1aq8 s ASN 305 Ca 0.35 0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.62 1aq8 s ASN 305 Cb 0.05 -2.28 0.00 0.00 -0.55 0.00 0.00 41.25 38.47 1aq8 s ASN 305 CO 0.17 -0.42 0.22 1.57 -2.79 0.00 0.00 177.10 175.85 1aq8 n HIS 306 N 5.71 0.00 -3.32 0.43 -0.00 0.83 -4.04 115.22 114.83 1aq8 n HIS 306 Ca -0.04 0.00 -0.47 0.00 -0.00 0.00 0.00 57.72 57.21 1aq8 n HIS 306 Cb 0.49 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 1aq8 n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1aq8 s ASN 307 N -0.66 6.52 0.62 0.26 3.84 -1.26 -4.90 114.94 119.36 1aq8 s ASN 307 Ca 0.00 -2.30 0.24 0.00 0.21 0.00 0.00 52.86 51.01 1aq8 s ASN 307 Cb 0.00 -2.21 1.14 0.00 -0.55 0.00 0.00 41.25 39.63 1aq8 s ASN 307 CO 0.00 -0.70 1.61 -0.07 -2.79 0.00 0.00 177.10 175.15 1aq8 h LEU 308 N 8.26 0.00 -0.05 3.21 3.38 -1.99 0.14 115.31 128.27 1aq8 h LEU 308 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1aq8 h LEU 308 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1aq8 h LEU 308 CO 0.88 0.00 -0.21 0.40 0.09 0.00 0.00 178.44 179.60 1aq8 h ILE 309 N 0.00 1.46 -0.28 1.22 2.04 -1.90 -0.07 117.51 119.97 1aq8 h ILE 309 Ca 0.20 -1.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.34 1aq8 h ILE 309 Cb 1.64 2.40 -0.02 0.00 -0.74 0.00 0.00 36.82 40.10 1aq8 h ILE 309 CO -0.00 0.46 -0.10 -0.33 0.00 0.00 0.00 178.15 178.18 1aq8 h GLU 310 N -0.32 0.47 0.41 2.37 5.08 -1.12 0.20 114.58 121.65 1aq8 h GLU 310 Ca -0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1aq8 h GLU 310 Cb 0.86 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1aq8 h GLU 310 CO 0.04 0.58 -0.20 0.00 -1.00 0.00 0.00 179.01 178.43 1aq8 h ALA 311 N 1.46 -0.55 0.00 3.43 0.00 -1.03 -0.95 119.26 121.61 1aq8 h ALA 311 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1aq8 h ALA 311 Cb 0.45 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1aq8 h ALA 311 CO 0.02 -0.53 -1.09 1.19 0.00 0.00 0.00 179.25 178.85 1aq8 n PHE 312 N -5.14 0.29 -0.11 0.00 3.01 -0.05 -1.74 117.46 113.73 1aq8 n PHE 312 Ca -0.08 0.09 -0.14 0.00 1.01 0.00 0.00 57.45 58.33 1aq8 n PHE 312 Cb 0.24 -0.47 -0.10 0.00 -0.01 0.00 0.00 39.48 39.14 1aq8 n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1aq8 n GLU 313 N -2.03 0.61 0.01 -1.08 -0.58 0.55 -4.63 120.64 113.50 1aq8 n GLU 313 Ca 0.01 0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.98 1aq8 n GLU 313 Cb 0.45 -1.43 0.09 0.00 -0.57 0.00 0.00 31.44 29.98 1aq8 n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1aq8 n LEU 314 N -3.09 0.64 0.00 -4.62 4.32 -0.40 -5.00 117.00 108.86 1aq8 n LEU 314 Ca -0.37 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 1aq8 n LEU 314 Cb 0.92 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1aq8 n LEU 314 CO 0.23 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 1aq8 n GLY 315 N 1.44 0.87 2.58 -0.72 0.00 -0.81 -1.78 105.19 106.77 1aq8 n GLY 315 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1aq8 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq8 n ALA 316 N -1.63 6.40 -3.11 4.61 0.00 0.74 -4.28 120.51 123.24 1aq8 n ALA 316 Ca 0.00 -3.95 -0.13 0.00 0.00 0.00 0.00 53.44 49.36 1aq8 n ALA 316 Cb 0.00 -3.15 -0.14 0.00 0.00 0.00 0.00 19.45 16.16 1aq8 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aq8 s ALA 317 N 1.03 -0.04 0.27 0.00 0.00 -1.24 -2.34 121.76 119.43 1aq8 s ALA 317 Ca 0.53 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1aq8 s ALA 317 Cb 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1aq8 s ALA 317 CO -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 175.76 175.72 1aq8 s ALA 318 N 0.28 1.93 0.18 0.00 0.00 0.13 -4.52 121.76 119.75 1aq8 s ALA 318 Ca -0.02 -1.89 0.08 0.00 0.00 0.00 0.00 51.96 50.13 1aq8 s ALA 318 Cb -0.03 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1aq8 s ALA 318 CO -0.01 -0.35 -0.16 -1.01 0.00 0.00 0.00 175.76 174.24 1aq8 s HIS 319 N -3.52 1.70 -0.08 0.00 3.76 -0.27 -0.44 115.29 116.43 1aq8 s HIS 319 Ca 0.34 -0.54 -0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1aq8 s HIS 319 Cb 0.07 -0.82 0.02 0.00 1.11 0.00 0.00 32.58 32.97 1aq8 s HIS 319 CO 0.12 0.31 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.22 1aq8 s PHE 320 N -2.52 1.04 -0.37 1.40 0.08 -0.21 -1.67 117.98 115.73 1aq8 s PHE 320 Ca 0.18 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.70 1aq8 s PHE 320 Cb -0.03 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1aq8 s PHE 320 CO 0.06 -0.35 0.24 0.15 -0.10 0.00 0.00 175.22 175.22 1aq8 s LYS 321 N 1.50 3.09 -0.15 0.44 1.02 0.59 -0.50 119.74 125.72 1aq8 s LYS 321 Ca -0.01 -0.92 -0.02 0.00 0.02 0.00 0.00 55.97 55.04 1aq8 s LYS 321 Cb -0.13 -3.81 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1aq8 s LYS 321 CO -0.04 -0.62 -0.08 0.08 -0.92 0.00 0.00 175.35 173.77 1aq8 s VAL 322 N 1.64 3.47 0.24 3.17 1.01 0.10 -1.90 120.40 128.13 1aq8 s VAL 322 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1aq8 s VAL 322 Cb -0.18 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1aq8 s VAL 322 CO 0.09 0.50 0.42 0.42 0.00 0.00 0.00 175.10 176.52 1aq8 s THR 323 N 0.47 5.20 -4.53 3.92 -4.23 -0.46 -0.59 115.64 115.43 1aq8 s THR 323 Ca -0.06 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1aq8 s THR 323 Cb -0.15 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1aq8 s THR 323 CO 0.04 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1aq8 n GLY 324 N -1.12 0.93 3.86 3.99 0.00 -1.26 -0.35 105.19 111.23 1aq8 n GLY 324 Ca -0.06 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1aq8 n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aq8 s GLU 325 N -1.81 3.36 0.47 1.61 0.41 -1.26 -4.71 118.70 116.77 1aq8 s GLU 325 Ca 0.00 -0.25 -0.22 0.00 -0.41 0.00 0.00 54.97 54.09 1aq8 s GLU 325 Cb 0.00 -3.09 -0.07 0.00 -1.78 0.00 0.00 34.13 29.18 1aq8 s GLU 325 CO 0.00 0.73 1.15 -0.46 -0.49 0.00 0.00 175.26 176.19 1aq8 s TRP 326 N -1.13 2.87 -0.43 1.61 -0.11 -1.26 -4.40 118.94 116.10 1aq8 s TRP 326 Ca 0.19 1.55 -0.01 0.00 1.22 0.00 0.00 56.10 59.05 1aq8 s TRP 326 Cb -0.12 -3.34 0.12 0.00 -1.50 0.00 0.00 33.47 28.63 1aq8 s TRP 326 CO 0.09 -1.43 0.21 1.21 -4.62 0.00 0.00 176.95 172.41 1aq8 s ASN 327 N -1.46 5.11 0.15 5.86 3.84 -1.26 -4.96 114.94 122.22 1aq8 s ASN 327 Ca 0.65 -2.22 0.18 0.00 0.21 0.00 0.00 52.86 51.67 1aq8 s ASN 327 Cb -0.27 -1.78 0.78 0.00 -0.55 0.00 0.00 41.25 39.43 1aq8 s ASN 327 CO 0.33 -0.47 1.56 0.47 -2.79 0.00 0.00 177.10 176.19 1aq8 n ASP 328 N 4.29 0.35 0.00 -4.21 9.92 -1.25 -2.24 116.55 123.42 1aq8 n ASP 328 Ca 0.01 0.60 -0.17 0.00 -0.53 0.00 0.00 54.79 54.69 1aq8 n ASP 328 Cb 0.40 -0.67 -0.11 0.00 -0.64 0.00 0.00 41.12 40.11 1aq8 n ASP 328 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1aq8 h ASP 329 N 0.00 0.55 -0.45 -2.24 -0.00 -2.01 -3.30 116.42 108.96 1aq8 h ASP 329 Ca 0.00 -0.75 -0.14 0.00 -0.00 0.00 0.00 57.03 56.14 1aq8 h ASP 329 Cb 0.26 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.41 1aq8 h ASP 329 CO 0.00 1.22 -0.27 -0.07 -0.00 0.00 0.00 179.24 180.12 1aq8 h LEU 330 N -0.08 1.02 -7.02 2.28 3.38 -1.90 -3.45 115.31 109.54 1aq8 h LEU 330 Ca -0.07 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 1aq8 h LEU 330 Cb 1.31 -0.28 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 1aq8 h LEU 330 CO 0.12 1.22 0.12 -0.32 0.09 0.00 0.00 178.44 179.67 1aq8 s MET 331 N -4.59 0.86 -0.10 1.13 0.00 -0.95 -5.14 119.30 110.52 1aq8 s MET 331 Ca -0.11 0.84 -0.26 0.00 0.00 0.00 0.00 55.69 56.16 1aq8 s MET 331 Cb 0.12 0.42 0.06 0.00 0.00 0.00 0.00 34.83 35.43 1aq8 s MET 331 CO 0.88 -0.14 0.60 -0.08 0.00 0.00 0.00 175.02 176.28 1aq8 s THR 332 N 0.08 0.01 -0.61 10.11 -1.32 -1.26 -3.79 115.64 118.87 1aq8 s THR 332 Ca -0.02 -0.08 -0.20 0.00 -1.21 0.00 0.00 61.69 60.18 1aq8 s THR 332 Cb -0.04 -0.90 0.09 0.00 -1.51 0.00 0.00 72.50 70.15 1aq8 s THR 332 CO 0.03 -0.05 0.77 -0.55 -2.21 0.00 0.00 174.62 172.61 1aq8 s SER 333 N -0.78 6.18 0.09 8.08 0.15 -1.26 -4.90 113.70 121.26 1aq8 s SER 333 Ca -0.08 -1.31 -0.20 0.00 0.70 0.00 0.00 55.95 55.06 1aq8 s SER 333 Cb -0.02 -2.33 -0.08 0.00 -1.71 0.00 0.00 66.02 61.87 1aq8 s SER 333 CO 0.06 -1.20 1.62 0.58 1.20 0.00 0.00 173.24 175.51 1aq8 h VAL 334 N 5.94 1.18 -3.28 4.45 2.07 -2.01 -3.40 116.25 121.19 1aq8 h VAL 334 Ca -0.29 -0.55 -0.50 0.00 0.82 0.00 0.00 66.70 66.18 1aq8 h VAL 334 Cb 1.08 1.14 -0.39 0.00 -1.52 0.00 0.00 31.29 31.61 1aq8 h VAL 334 CO 1.12 0.18 -0.77 -0.22 0.02 0.00 0.00 177.57 177.89 1aq8 s LEU 335 N -9.79 1.10 0.71 2.57 2.96 -1.26 -5.13 118.68 109.84 1aq8 s LEU 335 Ca -0.14 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.13 1aq8 s LEU 335 Cb 0.07 -0.64 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1aq8 s LEU 335 CO 0.71 -0.23 1.12 0.00 -1.32 0.00 0.00 176.35 176.64 1aq8 s ALA 336 N 1.83 2.32 -0.37 5.97 0.00 -1.26 -4.85 121.76 125.41 1aq8 s ALA 336 Ca 0.02 0.53 -0.37 0.00 0.00 0.00 0.00 51.96 52.13 1aq8 s ALA 336 Cb -0.15 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 1aq8 s ALA 336 CO -0.07 -1.54 2.13 -2.30 0.00 0.00 0.00 175.76 173.98 1aq8 n PRO 337 N -2.80 0.88 -4.08 0.00 -0.02 -1.26 -4.91 135.00 122.81 1aq8 n PRO 337 Ca 0.11 0.25 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 1aq8 n PRO 337 Cb 0.52 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 1aq8 n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1aq8 s SER 338 N 6.66 0.23 0.00 2.55 1.04 -1.26 -5.30 113.70 117.63 1aq8 s SER 338 Ca 1.10 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 56.48 1aq8 s SER 338 Cb -1.00 0.33 0.08 0.00 0.10 0.00 0.00 66.02 65.53 1aq8 s SER 338 CO 0.54 -0.77 0.58 0.61 0.98 0.00 0.00 173.24 175.18