#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 2.08 0.00 -1.39 0.00 -2.04 -0.09 119.26 117.81 1aq8 h ALA 10 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aq8 h ALA 10 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1aq8 h ALA 10 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1aq8 n ALA 11 N -2.54 2.40 -1.77 0.00 0.00 -1.26 -4.84 120.51 112.51 1aq8 n ALA 11 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1aq8 n ALA 11 Cb 0.23 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.78 4.45 0.62 0.00 1.43 -0.05 -5.00 118.68 117.34 1aq8 s LEU 12 Ca 0.21 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.21 1aq8 s LEU 12 Cb 0.20 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1aq8 s LEU 12 CO 0.49 -0.15 1.24 -2.16 0.23 0.00 0.00 176.35 176.00 1aq8 s PRO 13 N -1.72 2.79 0.03 1.29 0.04 -1.26 -4.67 135.00 131.49 1aq8 s PRO 13 Ca 0.48 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.51 1aq8 s PRO 13 Cb -0.26 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1aq8 s PRO 13 CO 0.33 -1.37 -0.26 1.03 0.04 0.00 0.00 177.00 176.77 1aq8 s ARG 14 N -3.38 1.90 -0.09 4.56 0.52 -1.26 -0.67 118.95 120.53 1aq8 s ARG 14 Ca 0.79 -1.06 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1aq8 s ARG 14 Cb -0.33 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.18 1aq8 s ARG 14 CO 0.36 0.53 0.01 1.14 0.02 0.00 0.00 175.30 177.36 1aq8 s GLN 15 N -1.05 0.57 -0.04 3.54 -2.07 -0.60 -4.94 119.66 115.07 1aq8 s GLN 15 Ca 0.11 0.04 -0.30 0.00 -1.82 0.00 0.00 55.36 53.39 1aq8 s GLN 15 Cb -0.10 -1.15 -0.03 0.00 -1.09 0.00 0.00 33.01 30.65 1aq8 s GLN 15 CO 0.01 -0.36 1.02 0.21 -1.32 0.00 0.00 175.29 174.84 1aq8 s LYS 16 N 1.97 4.49 -0.04 9.60 2.47 -1.26 -0.85 119.74 136.12 1aq8 s LYS 16 Ca 0.04 1.45 0.04 0.00 -1.56 0.00 0.00 55.97 55.93 1aq8 s LYS 16 Cb -0.13 -3.49 -0.03 0.00 -1.46 0.00 0.00 37.83 32.72 1aq8 s LYS 16 CO -0.06 -0.18 -0.13 0.08 0.16 0.00 0.00 175.35 175.22 1aq8 s VAL 17 N 1.45 3.20 -0.31 4.02 1.01 -0.47 -4.94 120.40 124.36 1aq8 s VAL 17 Ca 0.51 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1aq8 s VAL 17 Cb -0.21 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1aq8 s VAL 17 CO 0.24 0.54 0.35 -1.61 0.00 0.00 0.00 175.10 174.62 1aq8 s GLU 18 N -0.91 3.79 0.53 2.72 8.01 -1.26 -4.69 118.70 126.89 1aq8 s GLU 18 Ca 0.13 -0.22 -0.17 0.00 0.01 0.00 0.00 54.97 54.72 1aq8 s GLU 18 Cb -0.11 -3.73 -0.07 0.00 -4.31 0.00 0.00 34.13 25.92 1aq8 s GLU 18 CO 0.02 -0.38 1.01 -0.51 0.01 0.00 0.00 175.26 175.41 1aq8 s LEU 19 N 2.01 3.64 0.23 1.80 1.43 -1.26 -4.75 118.68 121.78 1aq8 s LEU 19 Ca 0.13 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 55.03 1aq8 s LEU 19 Cb -0.16 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 1aq8 s LEU 19 CO 0.11 -0.79 -0.19 0.68 0.23 0.00 0.00 176.35 176.40 1aq8 s VAL 20 N -2.45 2.15 0.31 -1.59 -7.23 -1.26 -4.99 120.40 105.33 1aq8 s VAL 20 Ca 0.62 -2.23 -0.27 0.00 -1.81 0.00 0.00 61.98 58.29 1aq8 s VAL 20 Cb -0.13 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.59 1aq8 s VAL 20 CO 0.30 -0.41 0.99 -1.81 -0.31 0.00 0.00 175.10 173.87 1aq8 s ASP 21 N -3.21 7.31 0.89 4.85 -0.00 -1.26 -4.54 116.67 120.70 1aq8 s ASP 21 Ca 0.24 1.99 -0.11 0.00 -0.00 0.00 0.00 52.55 54.67 1aq8 s ASP 21 Cb -0.04 -2.60 0.12 0.00 -0.00 0.00 0.00 42.92 40.40 1aq8 s ASP 21 CO 0.11 -0.09 1.12 -2.65 -0.00 0.00 0.00 175.17 173.65 1aq8 n PRO 22 N 0.83 -0.27 -0.02 8.23 -0.02 -1.26 -2.25 135.00 140.24 1aq8 n PRO 22 Ca 0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1aq8 n PRO 22 Cb 0.48 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1aq8 n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aq8 n PRO 23 N -3.81 1.07 -2.54 0.52 -0.04 -1.26 -5.05 135.00 123.89 1aq8 n PRO 23 Ca 0.12 -0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1aq8 n PRO 23 Cb 0.52 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.77 3.55 0.02 0.54 0.40 -0.96 -0.44 117.98 119.33 1aq8 s PHE 24 Ca 0.02 0.99 0.06 0.00 -0.60 0.00 0.00 56.93 57.40 1aq8 s PHE 24 Cb 0.01 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 1aq8 s PHE 24 CO 0.01 -0.31 -0.19 0.08 0.70 0.00 0.00 175.22 175.51 1aq8 s VAL 25 N -2.72 1.53 0.71 -0.44 1.01 -1.26 -4.61 120.40 114.62 1aq8 s VAL 25 Ca 0.50 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1aq8 s VAL 25 Cb -0.10 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1aq8 s VAL 25 CO 0.42 0.25 1.18 -1.38 0.00 0.00 0.00 175.10 175.57 1aq8 s HIS 26 N -0.69 2.19 0.37 5.22 -3.43 -1.26 -4.93 115.29 112.77 1aq8 s HIS 26 Ca 0.07 1.59 -0.26 0.00 -0.80 0.00 0.00 55.06 55.65 1aq8 s HIS 26 Cb -0.08 -3.40 -0.11 0.00 -1.43 0.00 0.00 32.58 27.55 1aq8 s HIS 26 CO 0.01 -2.38 1.15 0.00 -2.00 0.00 0.00 174.74 171.52 1aq8 n ALA 27 N -2.62 0.70 -3.79 -1.38 0.00 -1.26 -4.98 120.51 107.18 1aq8 n ALA 27 Ca 0.13 0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.84 1aq8 n ALA 27 Cb 0.51 -2.16 -0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.17 -0.04 0.04 0.00 -3.43 -1.26 -5.05 115.29 104.38 1aq8 s HIS 28 Ca 0.60 -0.27 0.06 0.00 -0.80 0.00 0.00 55.06 54.64 1aq8 s HIS 28 Cb -0.57 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.19 1aq8 s HIS 28 CO 0.59 -0.79 -0.13 -1.54 -2.00 0.00 0.00 174.74 170.87 1aq8 s SER 29 N -3.12 4.16 0.01 7.38 1.04 -1.26 -5.03 113.70 116.87 1aq8 s SER 29 Ca 0.16 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 1aq8 s SER 29 Cb -0.01 -0.80 -0.21 0.00 0.10 0.00 0.00 66.02 65.10 1aq8 s SER 29 CO 0.03 0.25 1.15 1.56 0.98 0.00 0.00 173.24 177.21 1aq8 h GLN 30 N 4.40 0.38 -5.84 4.02 4.20 -1.98 -3.42 115.11 116.87 1aq8 h GLN 30 Ca -0.48 -0.34 -0.59 0.00 0.06 0.00 0.00 58.65 57.30 1aq8 h GLN 30 Cb 1.16 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.95 1aq8 h GLN 30 CO 0.50 1.00 -0.16 0.08 -0.67 0.00 0.00 178.83 179.58 1aq8 s VAL 31 N -3.47 5.11 0.27 -0.54 1.01 -1.26 -3.11 120.40 118.41 1aq8 s VAL 31 Ca -0.14 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.45 1aq8 s VAL 31 Cb 0.04 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1aq8 s VAL 31 CO 0.80 0.42 1.51 0.00 0.00 0.00 0.00 175.10 177.83 1aq8 n ALA 32 N 2.96 1.91 -2.65 5.51 0.00 0.33 -4.92 120.51 123.65 1aq8 n ALA 32 Ca -0.10 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1aq8 n ALA 32 Cb 0.52 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 1aq8 n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aq8 s GLU 33 N -0.46 3.62 3.05 0.00 0.41 -1.26 -4.89 118.70 119.17 1aq8 s GLU 33 Ca 0.66 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 1aq8 s GLU 33 Cb -0.56 -5.26 0.00 0.00 -1.78 0.00 0.00 34.13 26.53 1aq8 s GLU 33 CO 0.49 -2.10 0.00 0.41 -0.49 0.00 0.00 175.26 173.57 1aq8 n GLY 34 N 6.46 -0.36 3.26 -1.39 0.00 -1.26 -4.93 105.19 106.97 1aq8 n GLY 34 Ca 0.32 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 0.05 3.68 -0.02 0.00 -1.26 -5.03 105.19 102.60 1aq8 n GLY 35 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.79 2.02 -4.10 1.61 -0.02 -1.26 -5.02 135.00 125.44 1aq8 n PRO 36 Ca 0.14 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.25 1aq8 n PRO 36 Cb 0.49 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.98 0.81 -0.54 -0.52 0.00 -1.26 -4.39 119.74 112.87 1aq8 s LYS 37 Ca 0.63 -1.31 -0.20 0.00 0.00 0.00 0.00 55.97 55.10 1aq8 s LYS 37 Cb -0.63 0.24 0.07 0.00 0.00 0.00 0.00 37.83 37.52 1aq8 s LYS 37 CO 0.55 -0.21 0.68 0.08 0.00 0.00 0.00 175.35 176.45 1aq8 s VAL 38 N -3.98 4.80 -0.30 1.79 1.01 0.16 -1.29 120.40 122.59 1aq8 s VAL 38 Ca 0.16 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1aq8 s VAL 38 Cb 0.07 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1aq8 s VAL 38 CO -0.04 -0.95 0.86 -0.69 0.00 0.00 0.00 175.10 174.28 1aq8 s VAL 39 N 2.80 4.73 -0.07 2.92 1.01 0.16 -1.56 120.40 130.38 1aq8 s VAL 39 Ca 0.15 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.35 1aq8 s VAL 39 Cb -0.20 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1aq8 s VAL 39 CO 0.11 -0.29 0.32 -1.61 0.00 0.00 0.00 175.10 173.62 1aq8 s GLU 40 N 3.11 3.91 0.09 2.72 2.02 -0.03 -0.90 118.70 129.62 1aq8 s GLU 40 Ca 0.36 0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.57 1aq8 s GLU 40 Cb -0.14 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1aq8 s GLU 40 CO 0.13 0.57 -0.07 -0.06 0.02 0.00 0.00 175.26 175.85 1aq8 s PHE 41 N -0.59 0.84 -0.04 1.61 0.40 -0.46 -1.37 117.98 118.36 1aq8 s PHE 41 Ca 0.20 -0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 55.69 1aq8 s PHE 41 Cb -0.15 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 42.92 1aq8 s PHE 41 CO 0.09 -0.14 0.09 0.99 0.70 0.00 0.00 175.22 176.95 1aq8 s THR 42 N -3.11 -0.04 -0.02 0.64 2.01 -1.26 -0.90 115.64 112.96 1aq8 s THR 42 Ca 0.07 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 1aq8 s THR 42 Cb 0.02 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1aq8 s THR 42 CO -0.04 0.05 0.03 -0.04 -0.69 0.00 0.00 174.62 173.94 1aq8 s MET 43 N 0.77 -0.01 -0.19 4.92 -1.94 -0.42 -4.93 119.30 117.50 1aq8 s MET 43 Ca -0.06 0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 54.01 1aq8 s MET 43 Cb -0.08 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.56 1aq8 s MET 43 CO -0.03 -0.12 0.03 0.08 -0.01 0.00 0.00 175.02 174.98 1aq8 s VAL 44 N 0.75 4.41 0.09 -6.03 1.01 -1.26 -1.14 120.40 118.24 1aq8 s VAL 44 Ca -0.06 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1aq8 s VAL 44 Cb -0.09 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1aq8 s VAL 44 CO -0.02 0.44 1.03 -0.63 0.00 0.00 0.00 175.10 175.92 1aq8 s ILE 45 N 0.64 4.36 -0.13 2.22 1.01 0.07 -1.64 121.20 127.73 1aq8 s ILE 45 Ca 0.02 1.87 -0.01 0.00 0.00 0.00 0.00 60.65 62.53 1aq8 s ILE 45 Cb -0.14 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.17 1aq8 s ILE 45 CO 0.02 0.24 -0.05 -1.61 0.00 0.00 0.00 174.94 173.55 1aq8 s GLU 46 N 0.29 1.26 -0.43 2.79 0.41 -0.36 -4.31 118.70 118.34 1aq8 s GLU 46 Ca 0.50 -0.28 -0.24 0.00 -0.41 0.00 0.00 54.97 54.55 1aq8 s GLU 46 Cb -0.25 -1.64 0.02 0.00 -1.78 0.00 0.00 34.13 30.48 1aq8 s GLU 46 CO 0.31 -0.35 0.81 -1.21 -0.49 0.00 0.00 175.26 174.33 1aq8 s GLU 47 N 1.75 3.51 0.03 1.61 2.02 -1.26 -1.28 118.70 125.08 1aq8 s GLU 47 Ca 0.03 0.05 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 1aq8 s GLU 47 Cb -0.14 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 1aq8 s GLU 47 CO -0.07 -1.08 -0.03 -1.59 0.02 0.00 0.00 175.26 172.51 1aq8 s LYS 48 N 3.34 0.42 -0.10 1.61 -2.85 -0.40 -4.99 119.74 116.77 1aq8 s LYS 48 Ca 0.32 -0.81 -0.25 0.00 -1.00 0.00 0.00 55.97 54.23 1aq8 s LYS 48 Cb -0.12 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 1aq8 s LYS 48 CO 0.22 -0.06 0.78 0.15 0.10 0.00 0.00 175.35 176.53 1aq8 s LYS 49 N -2.25 4.39 0.09 1.78 1.02 -1.26 -0.01 119.74 123.50 1aq8 s LYS 49 Ca -0.08 0.98 0.07 0.00 0.02 0.00 0.00 55.97 56.96 1aq8 s LYS 49 Cb -0.04 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1aq8 s LYS 49 CO -0.04 -0.10 -0.18 0.96 -0.92 0.00 0.00 175.35 175.07 1aq8 s ILE 50 N 1.34 1.50 -0.20 2.17 -4.36 0.27 -4.93 121.20 116.99 1aq8 s ILE 50 Ca 0.39 -1.44 -0.13 0.00 -0.26 0.00 0.00 60.65 59.21 1aq8 s ILE 50 Cb -0.18 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 1aq8 s ILE 50 CO 0.17 -0.10 0.26 -0.69 0.24 0.00 0.00 174.94 174.81 1aq8 s VAL 51 N -1.18 5.31 -2.59 8.37 1.01 -1.26 0.12 120.40 130.19 1aq8 s VAL 51 Ca 0.03 0.43 0.21 0.00 0.00 0.00 0.00 61.98 62.66 1aq8 s VAL 51 Cb -0.10 -3.59 0.19 0.00 0.00 0.00 0.00 36.38 32.88 1aq8 s VAL 51 CO 0.03 0.36 1.19 2.30 0.00 0.00 0.00 175.10 178.98 1aq8 n ILE 52 N 3.92 0.06 -3.84 2.22 -5.35 0.98 -4.78 119.36 112.58 1aq8 n ILE 52 Ca -0.13 -0.53 -0.09 0.00 -0.27 0.00 0.00 62.75 61.74 1aq8 n ILE 52 Cb 0.52 1.38 0.01 0.00 -1.74 0.00 0.00 39.64 39.81 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 -1.71 -0.02 0.46 7.28 3.84 -1.26 -1.22 116.67 124.04 1aq8 s ASP 53 Ca 0.26 -1.03 0.24 0.00 -0.00 0.00 0.00 52.55 52.03 1aq8 s ASP 53 Cb 0.18 0.81 1.10 0.00 -1.38 0.00 0.00 42.92 43.63 1aq8 s ASP 53 CO 0.27 -1.58 1.91 0.44 -0.00 0.00 0.00 175.17 176.21 1aq8 h ASP 54 N 2.01 0.00 0.86 2.11 3.32 -1.96 -2.27 116.42 120.49 1aq8 h ASP 54 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1aq8 h ASP 54 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1aq8 h ASP 54 CO 0.36 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1aq8 n ALA 55 N -2.26 1.89 -0.17 3.45 0.00 -1.26 -4.89 120.51 117.27 1aq8 n ALA 55 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1aq8 n ALA 55 Cb 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.49 0.76 3.68 0.00 0.00 -0.85 -5.03 105.19 104.24 1aq8 n GLY 56 Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.51 1aq8 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aq8 n THR 57 N -2.09 0.29 -4.07 2.61 -1.04 -1.26 -4.77 114.28 103.95 1aq8 n THR 57 Ca 0.00 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1aq8 n THR 57 Cb 0.00 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.16 1aq8 n THR 57 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1aq8 s GLU 58 N 3.02 2.88 -0.02 -2.82 -1.05 -1.26 -0.01 118.70 119.44 1aq8 s GLU 58 Ca 0.94 -0.80 0.01 0.00 -0.15 0.00 0.00 54.97 54.98 1aq8 s GLU 58 Cb -0.97 -2.67 0.01 0.00 -0.44 0.00 0.00 34.13 30.06 1aq8 s GLU 58 CO 0.59 0.52 -0.04 0.08 0.95 0.00 0.00 175.26 177.36 1aq8 s VAL 59 N -1.59 0.39 -1.13 1.83 1.01 0.12 -4.92 120.40 116.12 1aq8 s VAL 59 Ca 0.30 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 1aq8 s VAL 59 Cb -0.11 -0.38 0.10 0.00 0.00 0.00 0.00 36.38 35.99 1aq8 s VAL 59 CO 0.23 0.14 1.47 -1.00 0.00 0.00 0.00 175.10 175.94 1aq8 s HIS 60 N 0.31 2.93 0.64 5.22 3.76 -1.26 -0.57 115.29 126.33 1aq8 s HIS 60 Ca -0.03 -1.47 -0.14 0.00 -0.15 0.00 0.00 55.06 53.26 1aq8 s HIS 60 Cb -0.07 -4.55 -0.01 0.00 1.11 0.00 0.00 32.58 29.06 1aq8 s HIS 60 CO -0.00 -1.69 1.08 0.00 -0.85 0.00 0.00 174.74 173.27 1aq8 s ALA 61 N 3.56 2.59 -0.34 -1.40 0.00 0.98 -4.85 121.76 122.30 1aq8 s ALA 61 Ca 0.45 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1aq8 s ALA 61 Cb -0.00 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.96 1aq8 s ALA 61 CO -0.02 -1.11 0.08 -1.64 0.00 0.00 0.00 175.76 173.07 1aq8 s MET 62 N -4.25 1.20 -0.10 0.00 -1.94 -0.55 -1.27 119.30 112.39 1aq8 s MET 62 Ca 0.64 -1.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.04 1aq8 s MET 62 Cb -0.18 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 1aq8 s MET 62 CO 0.42 -0.97 -0.17 0.00 -0.01 0.00 0.00 175.02 174.29 1aq8 s ALA 63 N 1.12 2.48 0.11 3.03 0.00 -0.41 -1.74 121.76 126.35 1aq8 s ALA 63 Ca 0.11 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1aq8 s ALA 63 Cb -0.19 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 1aq8 s ALA 63 CO -0.14 0.32 1.20 -0.06 0.00 0.00 0.00 175.76 177.08 1aq8 s PHE 64 N 0.12 3.44 -1.80 0.00 0.08 -1.25 -1.23 117.98 117.34 1aq8 s PHE 64 Ca -0.08 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1aq8 s PHE 64 Cb -0.15 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 1aq8 s PHE 64 CO 0.05 -1.25 0.00 -1.71 -0.10 0.00 0.00 175.22 172.21 1aq8 n ASN 65 N 3.38 -4.88 0.00 1.36 5.15 -0.65 -1.87 115.26 117.74 1aq8 n ASN 65 Ca 0.07 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1aq8 n ASN 65 Cb 0.46 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.42 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 -0.51 0.23 3.32 8.20 0.00 -1.04 -4.96 105.19 110.43 1aq8 n GLY 66 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.47 1.75 -0.23 2.61 -4.23 -0.78 -4.93 115.64 108.36 1aq8 s THR 67 Ca 0.00 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1aq8 s THR 67 Cb 0.00 -1.77 0.06 0.00 1.34 0.00 0.00 72.50 72.12 1aq8 s THR 67 CO 0.00 -0.30 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.02 1aq8 s VAL 68 N -1.95 1.64 0.94 2.29 1.01 -1.26 -2.98 120.40 120.09 1aq8 s VAL 68 Ca 0.14 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 1aq8 s VAL 68 Cb -0.06 -1.85 0.16 0.00 0.00 0.00 0.00 36.38 34.63 1aq8 s VAL 68 CO 0.06 -0.04 1.21 -2.16 0.00 0.00 0.00 175.10 174.17 1aq8 s PRO 69 N 1.35 0.88 0.96 2.72 0.04 -1.26 -1.23 135.00 138.46 1aq8 s PRO 69 Ca -0.05 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 60.84 1aq8 s PRO 69 Cb -0.18 -1.84 0.17 0.00 0.04 0.00 0.00 34.50 32.68 1aq8 s PRO 69 CO -0.06 -2.31 1.09 0.20 0.04 0.00 0.00 177.00 175.96 1aq8 s GLY 70 N -4.43 1.62 0.71 0.56 0.00 0.17 -4.71 107.32 101.24 1aq8 s GLY 70 Ca 0.68 0.10 -0.14 0.00 0.00 0.00 0.00 44.72 45.36 1aq8 s GLY 70 CO 0.52 0.62 1.13 2.56 0.00 0.00 0.00 173.10 177.94 1aq8 s PRO 71 N -4.75 2.42 -0.25 2.90 0.04 -1.26 -4.50 135.00 129.60 1aq8 s PRO 71 Ca 0.65 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1aq8 s PRO 71 Cb -0.21 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1aq8 s PRO 71 CO 0.59 -1.55 0.73 -1.17 0.04 0.00 0.00 177.00 175.64 1aq8 s LEU 72 N -5.25 4.07 -0.12 -3.56 2.96 -1.26 -4.36 118.68 111.18 1aq8 s LEU 72 Ca 0.67 0.85 -0.16 0.00 -0.22 0.00 0.00 54.13 55.27 1aq8 s LEU 72 Cb -0.22 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 1aq8 s LEU 72 CO 0.46 -0.46 0.40 -0.04 -1.32 0.00 0.00 176.35 175.40 1aq8 s MET 73 N 2.70 4.25 -0.14 1.98 -1.94 -1.17 -4.56 119.30 120.43 1aq8 s MET 73 Ca 0.31 0.32 0.03 0.00 -1.71 0.00 0.00 55.69 54.63 1aq8 s MET 73 Cb -0.15 -3.40 0.01 0.00 2.01 0.00 0.00 34.83 33.30 1aq8 s MET 73 CO 0.08 0.26 -0.22 0.08 -0.01 0.00 0.00 175.02 175.22 1aq8 s VAL 74 N 0.33 2.02 0.33 -6.03 1.01 -1.26 -0.27 120.40 116.53 1aq8 s VAL 74 Ca 0.22 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1aq8 s VAL 74 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1aq8 s VAL 74 CO 0.08 0.54 0.30 0.68 0.00 0.00 0.00 175.10 176.71 1aq8 s VAL 75 N 0.81 0.00 0.27 2.92 -7.23 -0.47 -4.98 120.40 111.71 1aq8 s VAL 75 Ca -0.07 -1.95 0.10 0.00 -1.81 0.00 0.00 61.98 58.25 1aq8 s VAL 75 Cb -0.16 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1aq8 s VAL 75 CO -0.01 0.00 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.72 1aq8 s HIS 76 N -3.42 2.59 0.21 2.82 3.76 -1.26 -0.86 115.29 119.13 1aq8 s HIS 76 Ca 0.39 -0.25 -0.32 0.00 -0.15 0.00 0.00 55.06 54.73 1aq8 s HIS 76 Cb 0.02 -1.14 -0.14 0.00 1.11 0.00 0.00 32.58 32.43 1aq8 s HIS 76 CO 0.26 0.65 1.45 0.94 -0.85 0.00 0.00 174.74 177.19 1aq8 n GLN 77 N -0.81 2.05 -0.99 1.40 7.27 0.10 -1.33 117.38 125.07 1aq8 n GLN 77 Ca -0.06 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1aq8 n GLN 77 Cb 0.59 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.82 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 2.51 -1.70 -4.91 1.69 10.43 0.57 -4.72 116.55 120.41 1aq8 n ASP 78 Ca 0.13 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.22 1aq8 n ASP 78 Cb 0.30 -0.40 0.06 0.00 1.84 0.00 0.00 41.12 42.92 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 -2.44 4.98 -0.20 -2.24 -0.00 -0.44 -4.68 116.67 111.65 1aq8 s ASP 79 Ca 0.00 0.68 -0.02 0.00 -0.00 0.00 0.00 52.55 53.21 1aq8 s ASP 79 Cb 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 42.92 41.54 1aq8 s ASP 79 CO 0.00 -1.54 -0.11 -0.31 -0.00 0.00 0.00 175.17 173.22 1aq8 s TYR 80 N -3.30 2.88 -0.36 4.23 1.51 -0.41 -1.28 117.35 120.62 1aq8 s TYR 80 Ca 0.59 -1.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.31 1aq8 s TYR 80 Cb -0.11 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1aq8 s TYR 80 CO 0.47 -0.61 0.50 -1.17 -1.11 0.00 0.00 175.55 173.63 1aq8 s LEU 81 N 1.31 4.42 -0.35 -1.29 0.20 -0.63 0.40 118.68 122.75 1aq8 s LEU 81 Ca 0.04 -0.14 -0.05 0.00 0.69 0.00 0.00 54.13 54.67 1aq8 s LEU 81 Cb -0.14 -2.55 0.06 0.00 -0.43 0.00 0.00 46.19 43.12 1aq8 s LEU 81 CO -0.06 -0.50 0.10 -0.70 -0.29 0.00 0.00 176.35 174.90 1aq8 s GLU 82 N 2.37 2.47 -0.18 1.98 2.12 -0.07 -2.37 118.70 125.02 1aq8 s GLU 82 Ca 0.18 -1.33 -0.06 0.00 0.36 0.00 0.00 54.97 54.12 1aq8 s GLU 82 Cb -0.16 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1aq8 s GLU 82 CO 0.14 -0.74 0.02 -1.17 -0.54 0.00 0.00 175.26 172.96 1aq8 s LEU 83 N 1.32 3.46 -0.44 2.70 1.98 -0.04 -1.35 118.68 126.31 1aq8 s LEU 83 Ca -0.01 -0.08 -0.17 0.00 -2.89 0.00 0.00 54.13 50.98 1aq8 s LEU 83 Cb -0.20 -1.87 0.04 0.00 0.66 0.00 0.00 46.19 44.82 1aq8 s LEU 83 CO 0.01 0.13 0.44 -0.89 -1.89 0.00 0.00 176.35 174.14 1aq8 s THR 84 N 0.63 5.11 -0.24 3.68 2.01 -0.08 -1.33 115.64 125.42 1aq8 s THR 84 Ca 0.00 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1aq8 s THR 84 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1aq8 s THR 84 CO 0.02 -0.50 0.13 -0.22 -0.69 0.00 0.00 174.62 173.36 1aq8 s LEU 85 N 2.05 3.90 -0.11 4.42 2.96 0.15 -1.30 118.68 130.75 1aq8 s LEU 85 Ca 0.10 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1aq8 s LEU 85 Cb -0.19 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1aq8 s LEU 85 CO 0.11 0.03 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.40 1aq8 s ILE 86 N 1.24 2.91 -0.38 6.68 1.01 -0.29 -1.33 121.20 131.04 1aq8 s ILE 86 Ca 0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1aq8 s ILE 86 Cb -0.14 -2.19 0.11 0.00 0.01 0.00 0.00 42.46 40.24 1aq8 s ILE 86 CO 0.05 0.54 0.14 0.21 0.00 0.00 0.00 174.94 175.89 1aq8 s ASN 87 N 0.14 5.07 0.66 3.58 2.47 0.15 -0.75 114.94 126.27 1aq8 s ASN 87 Ca -0.08 -2.06 -0.17 0.00 0.42 0.00 0.00 52.86 50.97 1aq8 s ASN 87 Cb -0.15 -1.75 -0.05 0.00 -1.45 0.00 0.00 41.25 37.84 1aq8 s ASN 87 CO 0.05 -0.48 0.60 -2.65 -3.72 0.00 0.00 177.10 170.90 1aq8 n PRO 88 N 4.47 0.44 0.16 0.43 -0.02 -1.26 0.60 135.00 139.82 1aq8 n PRO 88 Ca -0.00 0.19 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1aq8 n PRO 88 Cb 0.42 -1.85 0.42 0.00 -0.02 0.00 0.00 33.50 32.47 1aq8 n PRO 88 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1aq8 h GLU 89 N -0.08 0.13 0.00 -0.52 5.08 -1.90 -2.01 114.58 115.28 1aq8 h GLU 89 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1aq8 h GLU 89 Cb 1.37 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1aq8 h GLU 89 CO 0.45 0.31 0.00 1.79 -1.00 0.00 0.00 179.01 180.56 1aq8 h THR 90 N 0.13 0.00 -4.33 1.13 1.35 -1.95 -3.44 112.91 105.80 1aq8 h THR 90 Ca 0.02 -0.21 -0.51 0.00 -0.55 0.00 0.00 66.41 65.17 1aq8 h THR 90 Cb 0.39 1.04 0.07 0.00 -1.73 0.00 0.00 68.15 67.92 1aq8 h THR 90 CO 0.03 0.00 0.39 0.20 -0.25 0.00 0.00 175.52 175.89 1aq8 s ASN 91 N -4.87 5.87 0.00 5.36 0.01 -0.77 -5.00 114.94 115.54 1aq8 s ASN 91 Ca -0.00 1.54 0.06 0.00 -0.71 0.00 0.00 52.86 53.74 1aq8 s ASN 91 Cb 0.09 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.21 1aq8 s ASN 91 CO 0.40 -1.11 0.26 0.35 -1.51 0.00 0.00 177.10 175.50 1aq8 n THR 92 N -2.78 0.00 -4.47 1.60 -2.24 -1.26 -4.72 114.28 100.40 1aq8 n THR 92 Ca 0.07 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 1aq8 n THR 92 Cb 0.54 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 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 -2.23 2.60 0.11 3.22 1.43 -1.26 -4.92 118.68 117.64 1aq8 s LEU 93 Ca 0.02 -1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 51.86 1aq8 s LEU 93 Cb 0.04 -1.07 -0.07 0.00 0.03 0.00 0.00 46.19 45.12 1aq8 s LEU 93 CO 0.24 0.01 0.66 -0.32 0.23 0.00 0.00 176.35 177.16 1aq8 s MET 94 N -3.53 4.35 0.10 1.70 -2.45 -1.26 -4.03 119.30 114.18 1aq8 s MET 94 Ca 0.30 0.91 0.02 0.00 -1.25 0.00 0.00 55.69 55.67 1aq8 s MET 94 Cb -0.04 -3.24 -0.04 0.00 1.25 0.00 0.00 34.83 32.76 1aq8 s MET 94 CO 0.15 0.61 -0.07 -1.01 1.05 0.00 0.00 175.02 175.75 1aq8 s HIS 95 N -1.13 0.90 0.16 4.11 0.09 -0.33 -4.84 115.29 114.24 1aq8 s HIS 95 Ca 0.32 -0.85 -0.01 0.00 -0.00 0.00 0.00 55.06 54.52 1aq8 s HIS 95 Cb -0.21 -0.52 0.01 0.00 -0.00 0.00 0.00 32.58 31.86 1aq8 s HIS 95 CO 0.22 -0.12 0.23 0.27 -0.00 0.00 0.00 174.74 175.34 1aq8 n ASN 96 N 0.13 -0.63 -3.81 1.40 6.94 -1.26 -0.91 115.26 117.12 1aq8 n ASN 96 Ca -0.13 -1.83 -0.13 0.00 -0.02 0.00 0.00 54.58 52.47 1aq8 n ASN 96 Cb 0.60 1.17 -0.13 0.00 -2.36 0.00 0.00 39.78 39.06 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 -2.60 -0.01 -0.29 1.53 2.07 -1.26 -4.04 121.20 116.61 1aq8 s ILE 97 Ca 0.12 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 1aq8 s ILE 97 Cb -0.01 -0.24 0.06 0.00 0.13 0.00 0.00 42.46 42.40 1aq8 s ILE 97 CO 0.09 0.01 -0.04 -0.62 -1.91 0.00 0.00 174.94 172.47 1aq8 s ASP 98 N 0.22 4.68 -0.36 4.50 3.68 0.85 -0.83 116.67 129.40 1aq8 s ASP 98 Ca -0.01 -1.45 -0.21 0.00 2.13 0.00 0.00 52.55 53.01 1aq8 s ASP 98 Cb -0.02 -1.63 0.00 0.00 -1.45 0.00 0.00 42.92 39.82 1aq8 s ASP 98 CO -0.01 -0.25 0.65 -0.36 0.13 0.00 0.00 175.17 175.33 1aq8 s PHE 99 N 1.14 3.14 0.42 -5.34 0.40 0.65 -1.66 117.98 116.73 1aq8 s PHE 99 Ca -0.05 0.35 0.38 0.00 -0.60 0.00 0.00 56.93 57.00 1aq8 s PHE 99 Cb -0.20 -3.18 1.88 0.00 0.51 0.00 0.00 43.02 42.04 1aq8 s PHE 99 CO -0.04 -0.65 2.18 0.45 0.70 0.00 0.00 175.22 177.87 1aq8 h HIS 100 N 8.49 0.00 0.00 0.36 3.86 -1.44 -1.33 115.15 125.09 1aq8 h HIS 100 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1aq8 h HIS 100 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1aq8 h HIS 100 CO 0.75 0.02 0.00 0.00 0.86 0.00 0.00 177.93 179.56 1aq8 h ALA 101 N 1.98 1.00 -2.32 2.45 0.00 -1.91 -3.46 119.26 117.00 1aq8 h ALA 101 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1aq8 h ALA 101 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1aq8 h ALA 101 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.37 1aq8 s ALA 102 N -3.25 3.36 -0.25 0.00 0.00 -0.50 -4.63 121.76 116.49 1aq8 s ALA 102 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1aq8 s ALA 102 Cb 0.07 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.55 1aq8 s ALA 102 CO 0.63 -0.07 -0.10 0.99 0.00 0.00 0.00 175.76 177.20 1aq8 s THR 103 N -2.44 2.44 0.00 0.00 2.01 -1.26 -4.65 115.64 111.73 1aq8 s THR 103 Ca 0.51 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1aq8 s THR 103 Cb -0.10 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1aq8 s THR 103 CO 0.34 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1aq8 n GLY 104 N 4.55 3.00 4.02 4.40 0.00 -1.26 -4.96 105.19 114.95 1aq8 n GLY 104 Ca -0.16 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.79 -2.06 -3.91 4.61 0.00 -1.26 -0.05 120.51 117.06 1aq8 n ALA 105 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1aq8 n ALA 105 Cb 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 -4.16 -2.55 -0.13 0.00 4.77 -1.26 -0.44 117.00 113.23 1aq8 n LEU 106 Ca -0.19 -0.83 -0.02 0.00 -0.03 0.00 0.00 56.01 54.95 1aq8 n LEU 106 Cb 0.53 -2.51 -0.01 0.00 -2.33 0.00 0.00 43.42 39.10 1aq8 n LEU 106 CO 0.66 0.44 -0.02 0.61 -1.33 0.00 0.00 177.39 177.76 1aq8 n GLY 107 N -1.66 0.49 0.00 -0.72 0.00 0.93 -2.60 105.19 101.63 1aq8 n GLY 107 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.92 2.52 0.29 -0.02 0.00 0.41 -0.25 105.19 106.22 1aq8 n GLY 108 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 1.20 1.94 -0.02 0.00 -0.36 -1.20 103.07 104.63 1aq8 h GLY 109 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1aq8 h GLY 109 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1aq8 n GLY 110 N -1.32 -0.96 0.22 4.60 0.00 -0.82 -2.72 105.19 104.20 1aq8 n GLY 110 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.47 1.30 -0.14 0.99 4.77 -0.49 -4.65 117.00 117.30 1aq8 n LEU 111 Ca 0.04 -0.88 0.09 0.00 -0.03 0.00 0.00 56.01 55.23 1aq8 n LEU 111 Cb 0.16 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1aq8 n LEU 111 CO 0.13 0.27 0.58 0.35 -1.33 0.00 0.00 177.39 177.39 1aq8 n THR 112 N 0.05 1.89 -2.09 -5.08 -2.24 -0.99 -4.95 114.28 100.86 1aq8 n THR 112 Ca 0.04 -2.18 -0.41 0.00 -2.27 0.00 0.00 64.05 59.23 1aq8 n THR 112 Cb 0.16 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.79 3.06 -0.05 -0.78 2.02 -1.24 -4.09 118.70 114.82 1aq8 s GLU 113 Ca 0.32 0.94 0.06 0.00 0.02 0.00 0.00 54.97 56.31 1aq8 s GLU 113 Cb 0.27 -4.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.24 1aq8 s GLU 113 CO 0.03 -2.21 -0.24 0.96 0.02 0.00 0.00 175.26 173.83 1aq8 s ILE 114 N 7.59 1.98 0.54 -1.63 -4.36 -0.08 -4.98 121.20 120.26 1aq8 s ILE 114 Ca 0.70 -1.03 -0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1aq8 s ILE 114 Cb -0.16 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 41.90 1aq8 s ILE 114 CO 0.27 0.55 0.78 0.20 0.24 0.00 0.00 174.94 176.98 1aq8 s ASN 115 N -0.21 5.47 0.21 4.36 -0.87 -1.26 -1.19 114.94 121.44 1aq8 s ASN 115 Ca -0.02 0.23 -0.32 0.00 -1.57 0.00 0.00 52.86 51.19 1aq8 s ASN 115 Cb -0.13 -1.24 -0.14 0.00 -0.02 0.00 0.00 41.25 39.73 1aq8 s ASN 115 CO 0.03 -1.02 1.46 -2.65 -2.57 0.00 0.00 177.10 172.35 1aq8 n PRO 116 N -2.34 2.04 -0.17 -0.60 -0.02 -1.26 -0.81 135.00 131.85 1aq8 n PRO 116 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1aq8 n PRO 116 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.58 0.63 3.66 -1.23 0.00 0.20 -4.74 105.19 106.30 1aq8 n GLY 117 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.77 2.29 0.18 1.61 2.02 0.01 -4.90 118.70 119.14 1aq8 s GLU 118 Ca 0.00 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.46 1aq8 s GLU 118 Cb 0.00 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 1aq8 s GLU 118 CO 0.00 0.28 0.19 -1.59 0.02 0.00 0.00 175.26 174.16 1aq8 s LYS 119 N -3.72 1.17 0.12 1.61 -2.85 -1.26 -0.67 119.74 114.14 1aq8 s LYS 119 Ca 0.33 -1.44 -0.24 0.00 -1.00 0.00 0.00 55.97 53.62 1aq8 s LYS 119 Cb -0.05 0.31 0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1aq8 s LYS 119 CO 0.20 -0.40 0.62 -0.08 0.10 0.00 0.00 175.35 175.79 1aq8 s THR 120 N -4.07 0.00 -0.12 3.79 -1.32 -0.45 -5.00 115.64 108.47 1aq8 s THR 120 Ca 0.29 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1aq8 s THR 120 Cb 0.05 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1aq8 s THR 120 CO 0.07 0.00 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.78 1aq8 s ILE 121 N -3.33 1.03 -0.05 5.08 1.01 -1.26 -0.67 121.20 123.00 1aq8 s ILE 121 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1aq8 s ILE 121 Cb -0.01 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1aq8 s ILE 121 CO -0.09 0.31 -0.13 -0.22 0.00 0.00 0.00 174.94 174.81 1aq8 s LEU 122 N 1.70 2.80 -0.05 2.97 2.96 -0.44 -4.96 118.68 123.66 1aq8 s LEU 122 Ca 0.04 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1aq8 s LEU 122 Cb -0.13 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1aq8 s LEU 122 CO -0.08 0.34 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.60 1aq8 s ARG 123 N -0.71 1.34 0.03 1.98 3.52 -1.26 -0.86 118.95 122.99 1aq8 s ARG 123 Ca 0.11 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.39 1aq8 s ARG 123 Cb -0.11 -1.16 -0.03 0.00 -1.56 0.00 0.00 34.95 32.09 1aq8 s ARG 123 CO 0.01 0.02 -0.03 -0.59 -0.81 0.00 0.00 175.30 173.90 1aq8 s PHE 124 N 0.63 0.38 -0.16 5.12 -0.12 -1.00 -5.00 117.98 117.84 1aq8 s PHE 124 Ca -0.12 -0.78 -0.21 0.00 -0.05 0.00 0.00 56.93 55.77 1aq8 s PHE 124 Cb -0.14 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 1aq8 s PHE 124 CO 0.02 -0.28 0.63 0.21 -0.05 0.00 0.00 175.22 175.75 1aq8 s LYS 125 N -2.63 4.28 -1.38 1.99 2.20 -1.26 -1.61 119.74 121.33 1aq8 s LYS 125 Ca -0.05 0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 56.08 1aq8 s LYS 125 Cb -0.01 -3.53 0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1aq8 s LYS 125 CO -0.05 -0.14 2.01 0.00 -0.36 0.00 0.00 175.35 176.81 1aq8 n ALA 126 N 4.64 4.89 0.27 3.13 0.00 -0.40 -4.76 120.51 128.28 1aq8 n ALA 126 Ca -0.02 -3.95 0.16 0.00 0.00 0.00 0.00 53.44 49.63 1aq8 n ALA 126 Cb 0.50 -3.46 0.63 0.00 0.00 0.00 0.00 19.45 17.12 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 4.42 0.09 -3.49 0.00 1.35 -1.85 0.16 112.91 113.59 1aq8 h THR 127 Ca 0.50 -0.62 -0.68 0.00 -0.55 0.00 0.00 66.41 65.06 1aq8 h THR 127 Cb 0.71 1.57 -0.33 0.00 -1.73 0.00 0.00 68.15 68.37 1aq8 h THR 127 CO 1.70 0.03 -0.88 -0.54 -0.25 0.00 0.00 175.52 175.59 1aq8 s LYS 128 N -3.65 2.93 0.25 4.72 1.02 -1.26 -4.75 119.74 118.99 1aq8 s LYS 128 Ca 0.01 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 54.83 1aq8 s LYS 128 Cb 0.09 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 1aq8 s LYS 128 CO 0.56 0.22 0.93 -1.25 -0.92 0.00 0.00 175.35 174.90 1aq8 s PRO 129 N 0.23 4.82 0.00 -1.68 0.04 -1.26 -4.77 135.00 132.38 1aq8 s PRO 129 Ca -0.16 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1aq8 s PRO 129 Cb -0.17 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1aq8 s PRO 129 CO 0.08 0.50 0.00 0.41 0.04 0.00 0.00 177.00 178.03 1aq8 n GLY 130 N 1.40 1.22 3.81 0.56 0.00 0.90 -2.69 105.19 110.38 1aq8 n GLY 130 Ca -0.02 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.35 5.18 0.06 1.61 -7.23 0.09 -0.46 120.40 118.30 1aq8 s VAL 131 Ca 0.00 0.69 0.04 0.00 -1.81 0.00 0.00 61.98 60.90 1aq8 s VAL 131 Cb 0.00 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1aq8 s VAL 131 CO 0.00 0.52 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.83 1aq8 s PHE 132 N -0.56 1.03 0.22 2.82 0.08 0.07 -4.51 117.98 117.12 1aq8 s PHE 132 Ca 0.21 -0.46 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 1aq8 s PHE 132 Cb -0.15 -0.59 -0.08 0.00 -0.57 0.00 0.00 43.02 41.64 1aq8 s PHE 132 CO 0.10 0.01 0.62 0.08 -0.10 0.00 0.00 175.22 175.93 1aq8 s VAL 133 N -1.28 4.78 -0.00 -0.44 1.01 -1.26 0.05 120.40 123.26 1aq8 s VAL 133 Ca -0.04 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1aq8 s VAL 133 Cb -0.10 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1aq8 s VAL 133 CO 0.02 0.08 -0.10 -0.72 0.00 0.00 0.00 175.10 174.38 1aq8 s TYR 134 N -1.66 0.89 0.16 5.22 -0.85 -0.73 -1.20 117.35 119.19 1aq8 s TYR 134 Ca 0.44 -0.20 -0.19 0.00 -0.52 0.00 0.00 57.07 56.61 1aq8 s TYR 134 Cb -0.13 -0.57 0.04 0.00 0.38 0.00 0.00 41.96 41.68 1aq8 s TYR 134 CO 0.20 -0.01 0.51 -3.38 -1.52 0.00 0.00 175.55 171.35 1aq8 s HIS 135 N -0.33 -0.28 0.47 -3.49 -3.43 -0.66 -0.30 115.29 107.26 1aq8 s HIS 135 Ca 0.03 -0.02 -0.21 0.00 -0.80 0.00 0.00 55.06 54.06 1aq8 s HIS 135 Cb -0.04 0.41 -0.09 0.00 -1.43 0.00 0.00 32.58 31.43 1aq8 s HIS 135 CO -0.00 -0.84 1.02 0.00 -2.00 0.00 0.00 174.74 172.92 1aq8 n ALA 137 N -0.85 0.41 -2.24 0.00 0.00 -1.26 -4.52 120.51 112.05 1aq8 n ALA 137 Ca 0.09 -2.34 -0.42 0.00 0.00 0.00 0.00 53.44 50.77 1aq8 n ALA 137 Cb 0.53 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.43 4.25 -0.13 0.00 0.02 -1.26 -4.82 135.00 132.62 1aq8 s PRO 138 Ca 0.32 1.92 -0.38 0.00 0.02 0.00 0.00 61.00 62.88 1aq8 s PRO 138 Cb 0.24 -3.72 -0.16 0.00 0.02 0.00 0.00 34.50 30.88 1aq8 s PRO 138 CO -0.15 -0.67 1.60 -2.30 -0.33 0.00 0.00 177.00 175.16 1aq8 n PRO 139 N 6.09 1.23 0.00 5.54 -0.02 -1.26 -0.48 135.00 146.11 1aq8 n PRO 139 Ca 0.14 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1aq8 n PRO 139 Cb 0.44 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.59 2.18 0.44 -1.23 0.00 -1.26 -4.78 105.19 104.12 1aq8 n GLY 140 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1aq8 n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aq8 n MET 141 N -2.00 0.47 0.07 1.61 2.81 0.37 -4.95 117.12 115.50 1aq8 n MET 141 Ca 0.00 -1.67 -0.07 0.00 -1.81 0.00 0.00 57.70 54.15 1aq8 n MET 141 Cb 0.00 -0.83 -0.04 0.00 -0.71 0.00 0.00 33.22 31.64 1aq8 n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1aq8 h VAL 142 N 4.54 0.00 -0.63 2.03 2.07 -1.62 -2.67 116.25 119.98 1aq8 h VAL 142 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1aq8 h VAL 142 Cb 1.29 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1aq8 h VAL 142 CO 0.01 0.00 0.41 1.55 0.02 0.00 0.00 177.57 179.56 1aq8 h PRO 143 N -0.36 0.61 -0.84 1.57 0.13 -1.91 -2.51 132.00 128.69 1aq8 h PRO 143 Ca -0.01 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1aq8 h PRO 143 Cb 0.34 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.29 1aq8 h PRO 143 CO -0.09 0.41 0.43 2.35 -0.23 0.00 0.00 178.00 180.87 1aq8 h TRP 144 N 0.63 1.18 -0.36 1.56 7.01 -1.92 -0.80 115.95 123.25 1aq8 h TRP 144 Ca 0.27 -0.04 -0.14 0.00 2.11 0.00 0.00 58.89 61.09 1aq8 h TRP 144 Cb 0.25 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1aq8 h TRP 144 CO -0.00 0.84 -0.32 0.45 -2.79 0.00 0.00 178.44 176.62 1aq8 h HIS 145 N 1.18 1.01 -0.11 2.65 3.86 -1.11 -2.94 115.15 119.68 1aq8 h HIS 145 Ca 0.29 -0.29 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1aq8 h HIS 145 Cb 0.07 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 1aq8 h HIS 145 CO 0.01 1.09 0.03 0.28 0.86 0.00 0.00 177.93 180.19 1aq8 h VAL 146 N 0.64 1.20 0.00 2.45 2.07 -1.19 -2.25 116.25 119.17 1aq8 h VAL 146 Ca 0.06 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1aq8 h VAL 146 Cb 0.90 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1aq8 h VAL 146 CO 0.08 0.18 0.00 1.33 0.02 0.00 0.00 177.57 179.18 1aq8 n VAL 147 N -4.87 0.00 -0.41 2.57 0.24 -0.33 -1.62 118.33 113.91 1aq8 n VAL 147 Ca -0.06 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.34 1aq8 n VAL 147 Cb 0.15 -0.48 0.30 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.86 3.94 0.00 -1.34 7.64 -0.98 -4.61 113.62 117.41 1aq8 n SER 148 Ca 0.13 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1aq8 n SER 148 Cb 0.06 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 1.28 0.69 2.78 0.23 0.00 -0.64 -1.48 105.19 108.05 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 -2.06 3.16 -3.44 1.61 0.00 -0.71 -4.57 117.12 111.12 1aq8 n MET 150 Ca 0.00 -2.97 -0.12 0.00 0.00 0.00 0.00 57.70 54.61 1aq8 n MET 150 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 33.22 30.06 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 2.25 -0.55 0.00 6.12 2.20 -1.26 -1.44 114.94 122.26 1aq8 s ASN 151 Ca 0.44 -0.02 0.00 0.00 -0.94 0.00 0.00 52.86 52.34 1aq8 s ASN 151 Cb 0.12 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 39.97 1aq8 s ASN 151 CO -0.05 -0.97 0.00 0.61 -2.94 0.00 0.00 177.10 173.74 1aq8 n GLY 152 N -0.38 2.87 3.46 0.45 0.00 0.58 -0.66 105.19 111.52 1aq8 n GLY 152 Ca -0.16 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.33 0.19 4.61 0.00 -1.26 -1.77 121.76 121.19 1aq8 s ALA 153 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1aq8 s ALA 153 Cb 0.00 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1aq8 s ALA 153 CO 0.00 -0.78 -0.09 0.96 0.00 0.00 0.00 175.76 175.85 1aq8 s ILE 154 N -3.80 1.30 -0.15 0.00 -4.36 0.11 -3.02 121.20 111.29 1aq8 s ILE 154 Ca 0.04 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.33 1aq8 s ILE 154 Cb -0.01 -2.04 0.03 0.00 1.25 0.00 0.00 42.46 41.70 1aq8 s ILE 154 CO -0.09 -0.59 -0.06 -0.32 0.24 0.00 0.00 174.94 174.11 1aq8 s MET 155 N -3.75 1.49 -0.70 0.37 -2.45 0.63 -0.75 119.30 114.15 1aq8 s MET 155 Ca 0.21 -0.42 -0.13 0.00 -1.25 0.00 0.00 55.69 54.10 1aq8 s MET 155 Cb 0.03 -1.86 0.18 0.00 1.25 0.00 0.00 34.83 34.43 1aq8 s MET 155 CO 0.04 -0.37 0.63 0.08 1.05 0.00 0.00 175.02 176.46 1aq8 s VAL 156 N 1.66 5.23 0.38 10.11 1.01 0.39 -1.37 120.40 137.80 1aq8 s VAL 156 Ca 0.02 -2.17 -0.25 0.00 0.00 0.00 0.00 61.98 59.58 1aq8 s VAL 156 Cb -0.14 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 1aq8 s VAL 156 CO -0.08 -0.95 1.07 -0.76 0.00 0.00 0.00 175.10 174.38 1aq8 s LEU 157 N 0.66 4.22 0.62 3.92 1.43 -0.04 -0.07 118.68 129.41 1aq8 s LEU 157 Ca 0.13 2.11 -0.18 0.00 -1.03 0.00 0.00 54.13 55.15 1aq8 s LEU 157 Cb -0.18 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 1aq8 s LEU 157 CO -0.04 -0.45 1.24 -2.84 0.23 0.00 0.00 176.35 174.49 1aq8 s PRO 158 N -2.28 2.79 0.54 1.29 0.02 -1.26 -0.72 135.00 135.38 1aq8 s PRO 158 Ca 0.55 1.91 0.36 0.00 0.02 0.00 0.00 61.00 63.84 1aq8 s PRO 158 Cb -0.25 -1.90 1.92 0.00 0.02 0.00 0.00 34.50 34.30 1aq8 s PRO 158 CO 0.31 -1.37 2.11 0.00 -0.33 0.00 0.00 177.00 177.72 1aq8 h ARG 159 N 0.72 0.00 -0.38 5.54 3.08 -1.87 -1.01 114.38 120.45 1aq8 h ARG 159 Ca -0.51 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1aq8 h ARG 159 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1aq8 h ARG 159 CO 0.54 0.00 0.02 -0.85 -1.07 0.00 0.00 179.97 178.61 1aq8 n GLU 160 N -2.80 3.44 -0.07 0.04 0.00 -1.26 -0.51 120.64 119.47 1aq8 n GLU 160 Ca -0.02 -2.97 0.01 0.00 0.00 0.00 0.00 57.16 54.18 1aq8 n GLU 160 Cb 0.08 -1.98 -0.00 0.00 0.00 0.00 0.00 31.44 29.54 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 -0.23 -1.89 3.87 -1.84 0.00 -0.39 -4.79 105.19 99.92 1aq8 n GLY 161 Ca 0.25 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 3.77 0.01 0.99 1.43 -1.26 -4.32 118.68 119.30 1aq8 s LEU 162 Ca 0.00 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1aq8 s LEU 162 Cb 0.00 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.14 1aq8 s LEU 162 CO 0.00 -0.45 0.32 -1.00 0.23 0.00 0.00 176.35 175.45 1aq8 s HIS 163 N -2.45 -0.17 0.28 0.29 3.76 -1.26 -1.26 115.29 114.47 1aq8 s HIS 163 Ca 0.52 0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 55.58 1aq8 s HIS 163 Cb -0.10 0.11 0.07 0.00 1.11 0.00 0.00 32.58 33.76 1aq8 s HIS 163 CO 0.33 -0.44 0.35 -0.40 -0.85 0.00 0.00 174.74 173.72 1aq8 n ASP 164 N 1.00 -0.28 0.00 1.40 5.68 0.57 -4.82 116.55 120.10 1aq8 n ASP 164 Ca -0.20 -1.03 0.06 0.00 -0.50 0.00 0.00 54.79 53.11 1aq8 n ASP 164 Cb 0.57 -0.28 0.26 0.00 -1.14 0.00 0.00 41.12 40.54 1aq8 n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aq8 n GLY 165 N 2.13 -0.81 0.67 6.12 0.00 -1.26 -2.31 105.19 109.73 1aq8 n GLY 165 Ca 0.04 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1aq8 n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aq8 n LYS 166 N -1.42 2.85 0.00 1.61 4.76 -1.26 -4.98 118.16 119.72 1aq8 n LYS 166 Ca 0.04 -2.31 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 1aq8 n LYS 166 Cb 0.12 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1aq8 n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aq8 n GLY 167 N 0.02 2.35 3.72 0.72 0.00 -0.98 -5.01 105.19 106.01 1aq8 n GLY 167 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1aq8 n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aq8 s LYS 168 N -0.28 4.28 0.42 1.61 2.20 -1.26 -4.69 119.74 122.02 1aq8 s LYS 168 Ca 0.00 2.20 -0.26 0.00 -0.36 0.00 0.00 55.97 57.55 1aq8 s LYS 168 Cb 0.00 -3.19 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1aq8 s LYS 168 CO 0.00 -0.48 1.42 0.00 -0.36 0.00 0.00 175.35 175.93 1aq8 s ALA 169 N 0.86 3.33 -0.37 3.13 0.00 -1.26 -0.31 121.76 127.13 1aq8 s ALA 169 Ca 0.65 1.45 0.02 0.00 0.00 0.00 0.00 51.96 54.08 1aq8 s ALA 169 Cb -0.40 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.26 1aq8 s ALA 169 CO 0.33 -1.08 0.13 -0.51 0.00 0.00 0.00 175.76 174.63 1aq8 s LEU 170 N -2.50 3.42 -0.33 0.00 1.43 -0.39 -4.77 118.68 115.53 1aq8 s LEU 170 Ca 0.58 -2.18 -0.10 0.00 -1.03 0.00 0.00 54.13 51.40 1aq8 s LEU 170 Cb -0.43 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1aq8 s LEU 170 CO 0.57 -0.35 0.17 -0.89 0.23 0.00 0.00 176.35 176.07 1aq8 s THR 171 N 0.89 4.59 0.33 5.49 2.01 -1.26 -4.10 115.64 123.59 1aq8 s THR 171 Ca 0.13 -0.56 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 1aq8 s THR 171 Cb -0.20 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1aq8 s THR 171 CO -0.11 -0.03 0.80 -0.72 -0.69 0.00 0.00 174.62 173.87 1aq8 s TYR 172 N 1.59 3.42 -0.03 4.92 -0.85 -1.26 -4.91 117.35 120.24 1aq8 s TYR 172 Ca 0.04 1.38 -0.08 0.00 -0.52 0.00 0.00 57.07 57.88 1aq8 s TYR 172 Cb -0.18 -2.65 -0.30 0.00 0.38 0.00 0.00 41.96 39.22 1aq8 s TYR 172 CO 0.06 0.09 0.75 -0.44 -1.52 0.00 0.00 175.55 174.49 1aq8 h ASP 173 N 2.40 0.53 -4.32 -0.18 3.32 -0.51 -3.48 116.42 114.18 1aq8 h ASP 173 Ca -0.48 -0.77 -0.29 0.00 0.02 0.00 0.00 57.03 55.51 1aq8 h ASP 173 Cb 1.18 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 1aq8 h ASP 173 CO 0.64 1.65 -0.69 -0.54 -1.72 0.00 0.00 179.24 178.58 1aq8 s LYS 174 N -2.59 1.03 -0.10 3.56 1.02 -0.84 -5.03 119.74 116.79 1aq8 s LYS 174 Ca -0.13 -1.46 -0.07 0.00 0.02 0.00 0.00 55.97 54.32 1aq8 s LYS 174 Cb 0.06 -0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1aq8 s LYS 174 CO 0.86 -0.03 0.26 -1.50 -0.92 0.00 0.00 175.35 174.01 1aq8 s ILE 175 N -3.53 -0.02 0.08 2.17 2.07 -1.26 -1.07 121.20 119.64 1aq8 s ILE 175 Ca 0.19 0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.56 1aq8 s ILE 175 Cb 0.05 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 1aq8 s ILE 175 CO 0.01 0.03 -0.16 -0.31 -1.91 0.00 0.00 174.94 172.59 1aq8 s TYR 176 N 0.73 1.40 -0.28 3.50 2.02 -0.37 -4.52 117.35 119.84 1aq8 s TYR 176 Ca -0.05 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1aq8 s TYR 176 Cb -0.06 -0.78 0.06 0.00 -0.40 0.00 0.00 41.96 40.78 1aq8 s TYR 176 CO -0.05 0.10 -0.06 -0.47 -1.57 0.00 0.00 175.55 173.51 1aq8 s TYR 177 N -1.21 3.32 -0.46 2.71 5.04 0.42 -0.45 117.35 126.73 1aq8 s TYR 177 Ca 0.01 -2.28 -0.16 0.00 -2.44 0.00 0.00 57.07 52.20 1aq8 s TYR 177 Cb -0.10 -2.10 0.05 0.00 0.35 0.00 0.00 41.96 40.16 1aq8 s TYR 177 CO 0.03 -0.87 0.41 0.08 -1.34 0.00 0.00 175.55 173.85 1aq8 s VAL 178 N 1.12 5.18 -0.25 3.14 1.01 0.19 -4.18 120.40 126.60 1aq8 s VAL 178 Ca -0.06 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1aq8 s VAL 178 Cb -0.20 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1aq8 s VAL 178 CO -0.04 -0.52 0.37 -0.83 0.00 0.00 0.00 175.10 174.07 1aq8 s GLY 179 N 2.29 1.93 -0.17 4.51 0.00 -1.26 -1.99 107.32 112.63 1aq8 s GLY 179 Ca 0.07 -0.76 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 1aq8 s GLY 179 CO 0.09 0.92 0.25 1.85 0.00 0.00 0.00 173.10 176.21 1aq8 s GLU 180 N 1.87 4.23 -0.13 2.90 2.12 -0.28 -2.10 118.70 127.32 1aq8 s GLU 180 Ca 0.15 0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.53 1aq8 s GLU 180 Cb -0.15 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1aq8 s GLU 180 CO 0.09 0.26 -0.21 -1.14 -0.54 0.00 0.00 175.26 173.72 1aq8 s GLN 181 N 0.42 2.86 -0.32 4.30 2.00 0.76 -4.53 119.66 125.15 1aq8 s GLN 181 Ca 0.14 -0.80 -0.14 0.00 -2.00 0.00 0.00 55.36 52.56 1aq8 s GLN 181 Cb -0.12 -2.29 -0.02 0.00 0.80 0.00 0.00 33.01 31.37 1aq8 s GLN 181 CO 0.02 0.02 0.33 0.16 -0.50 0.00 0.00 175.29 175.32 1aq8 s ASP 182 N 0.74 6.16 -0.01 6.67 3.84 -1.26 -1.09 116.67 131.73 1aq8 s ASP 182 Ca -0.10 -0.14 -0.00 0.00 -0.00 0.00 0.00 52.55 52.31 1aq8 s ASP 182 Cb -0.16 -2.18 -0.04 0.00 -1.38 0.00 0.00 42.92 39.16 1aq8 s ASP 182 CO 0.00 -0.27 0.07 -0.36 -0.00 0.00 0.00 175.17 174.61 1aq8 s PHE 183 N 1.97 3.26 -0.59 2.11 0.08 0.40 -4.73 117.98 120.48 1aq8 s PHE 183 Ca 0.11 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.40 1aq8 s PHE 183 Cb -0.16 -1.73 0.16 0.00 -0.57 0.00 0.00 43.02 40.71 1aq8 s PHE 183 CO 0.11 0.54 0.39 0.71 -0.10 0.00 0.00 175.22 176.87 1aq8 s TYR 184 N -1.17 2.90 -0.25 0.36 1.51 -1.26 -0.34 117.35 119.10 1aq8 s TYR 184 Ca 0.22 -3.02 -0.16 0.00 -1.01 0.00 0.00 57.07 53.09 1aq8 s TYR 184 Cb -0.12 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 1aq8 s TYR 184 CO 0.13 -0.66 0.44 0.08 -1.11 0.00 0.00 175.55 174.43 1aq8 s VAL 185 N -0.73 5.14 0.70 0.71 1.01 -1.26 -4.73 120.40 121.24 1aq8 s VAL 185 Ca 0.23 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 1aq8 s VAL 185 Cb -0.11 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1aq8 s VAL 185 CO -0.11 0.15 1.22 -2.84 0.00 0.00 0.00 175.10 173.52 1aq8 s PRO 186 N 2.00 2.29 0.18 2.72 0.02 -1.26 -4.87 135.00 136.08 1aq8 s PRO 186 Ca 0.18 1.82 0.08 0.00 0.02 0.00 0.00 61.00 63.10 1aq8 s PRO 186 Cb -0.16 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1aq8 s PRO 186 CO 0.09 -1.73 -0.16 1.03 -0.33 0.00 0.00 177.00 175.90 1aq8 s ARG 187 N -3.76 1.27 0.51 5.54 0.52 -1.26 -0.67 118.95 121.10 1aq8 s ARG 187 Ca 0.76 -1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1aq8 s ARG 187 Cb -0.31 -1.19 0.11 0.00 0.52 0.00 0.00 34.95 34.08 1aq8 s ARG 187 CO 0.43 0.22 0.70 -0.40 0.02 0.00 0.00 175.30 176.27 1aq8 n ASP 188 N 0.02 0.71 0.03 0.23 5.68 0.10 -4.81 116.55 118.52 1aq8 n ASP 188 Ca -0.11 -1.66 0.03 0.00 -0.50 0.00 0.00 54.79 52.55 1aq8 n ASP 188 Cb 0.58 -0.48 0.16 0.00 -1.14 0.00 0.00 41.12 40.24 1aq8 n ASP 188 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1aq8 n GLU 189 N -2.35 0.03 -0.27 0.11 -0.58 -1.26 -1.24 120.64 115.08 1aq8 n GLU 189 Ca 0.11 0.48 0.10 0.00 -0.42 0.00 0.00 57.16 57.43 1aq8 n GLU 189 Cb 0.39 -1.59 0.25 0.00 -0.57 0.00 0.00 31.44 29.92 1aq8 n GLU 189 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1aq8 n ASN 190 N -1.65 3.53 0.00 1.62 3.02 -1.26 -4.94 115.26 115.58 1aq8 n ASN 190 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1aq8 n ASN 190 Cb 0.04 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 1.32 1.28 3.74 7.41 0.00 -0.37 -5.01 105.19 113.57 1aq8 n GLY 191 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1aq8 n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aq8 s LYS 192 N -0.00 4.70 0.33 1.61 2.47 -1.26 -4.74 119.74 122.85 1aq8 s LYS 192 Ca 0.00 1.38 -0.29 0.00 -1.56 0.00 0.00 55.97 55.50 1aq8 s LYS 192 Cb 0.00 -3.34 -0.10 0.00 -1.46 0.00 0.00 37.83 32.93 1aq8 s LYS 192 CO 0.00 0.33 1.34 0.71 0.16 0.00 0.00 175.35 177.90 1aq8 s TYR 193 N -0.41 2.97 0.27 4.03 1.51 -1.26 0.03 117.35 124.49 1aq8 s TYR 193 Ca 0.43 1.36 -0.14 0.00 -1.01 0.00 0.00 57.07 57.71 1aq8 s TYR 193 Cb -0.24 -3.74 -0.08 0.00 -0.11 0.00 0.00 41.96 37.79 1aq8 s TYR 193 CO 0.29 -2.08 0.66 0.15 -1.11 0.00 0.00 175.55 173.46 1aq8 s LYS 194 N -1.77 3.96 0.04 -0.62 1.02 0.15 -4.81 119.74 117.70 1aq8 s LYS 194 Ca 0.50 0.55 0.07 0.00 0.02 0.00 0.00 55.97 57.11 1aq8 s LYS 194 Cb -0.41 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1aq8 s LYS 194 CO 0.54 0.25 -0.17 0.15 -0.92 0.00 0.00 175.35 175.20 1aq8 s LYS 195 N -2.78 2.13 0.08 1.68 1.02 -1.26 -4.82 119.74 115.79 1aq8 s LYS 195 Ca 0.50 -0.95 0.07 0.00 0.02 0.00 0.00 55.97 55.61 1aq8 s LYS 195 Cb -0.11 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1aq8 s LYS 195 CO 0.19 0.55 -0.18 0.71 -0.92 0.00 0.00 175.35 175.69 1aq8 s TYR 196 N -0.93 1.57 -0.00 3.18 2.02 -1.26 -5.05 117.35 116.87 1aq8 s TYR 196 Ca 0.15 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 1aq8 s TYR 196 Cb -0.11 -0.89 -0.16 0.00 -0.40 0.00 0.00 41.96 40.41 1aq8 s TYR 196 CO 0.06 0.13 1.14 0.93 -1.57 0.00 0.00 175.55 176.23 1aq8 h GLU 197 N 4.37 -0.39 -6.67 -0.62 5.08 -2.01 -3.45 114.58 110.90 1aq8 h GLU 197 Ca -0.43 0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.29 1aq8 h GLU 197 Cb 1.18 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 1aq8 h GLU 197 CO 0.41 -0.05 -0.79 0.00 -1.00 0.00 0.00 179.01 177.58 1aq8 s ALA 198 N -4.58 2.72 0.48 3.43 0.00 -1.26 -5.02 121.76 117.52 1aq8 s ALA 198 Ca -0.14 -1.39 0.14 0.00 0.00 0.00 0.00 51.96 50.57 1aq8 s ALA 198 Cb 0.02 -0.65 1.13 0.00 0.00 0.00 0.00 23.12 23.62 1aq8 s ALA 198 CO 0.52 0.56 2.08 -1.00 0.00 0.00 0.00 175.76 177.92 1aq8 h PRO 199 N 3.56 0.22 -0.85 0.00 0.13 -1.94 -2.18 132.00 130.93 1aq8 h PRO 199 Ca -0.49 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1aq8 h PRO 199 Cb 1.18 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1aq8 h PRO 199 CO 0.48 0.14 0.56 0.78 -0.23 0.00 0.00 178.00 179.73 1aq8 h GLY 200 N 0.22 1.21 2.00 1.56 0.00 -1.99 -1.24 103.07 104.83 1aq8 h GLY 200 Ca 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1aq8 h GLY 200 CO -0.02 0.39 -0.01 -0.55 0.00 0.00 0.00 176.54 176.35 1aq8 h ASP 201 N 1.10 0.00 0.84 0.19 3.45 -1.81 -2.64 116.42 117.55 1aq8 h ASP 201 Ca 0.33 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.63 1aq8 h ASP 201 Cb -0.03 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 1aq8 h ASP 201 CO -0.09 0.01 -1.25 0.00 -1.57 0.00 0.00 179.24 176.34 1aq8 h ALA 202 N 1.99 0.65 -0.59 3.45 0.00 -1.31 -3.42 119.26 120.04 1aq8 h ALA 202 Ca -0.00 -0.79 0.05 0.00 0.00 0.00 0.00 54.91 54.17 1aq8 h ALA 202 Cb 0.19 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1aq8 h ALA 202 CO 0.00 0.89 -0.36 -0.92 0.00 0.00 0.00 179.25 178.85 1aq8 h TYR 203 N 0.00 -1.16 -0.16 0.00 5.03 -1.36 -0.46 116.97 118.86 1aq8 h TYR 203 Ca -0.13 0.08 0.05 0.00 2.58 0.00 0.00 58.73 61.30 1aq8 h TYR 203 Cb 1.56 0.58 -0.06 0.00 1.55 0.00 0.00 36.73 40.36 1aq8 h TYR 203 CO 0.00 -0.23 -0.25 0.93 -1.32 0.00 0.00 178.16 177.29 1aq8 h GLU 204 N -0.02 -0.29 -0.59 1.82 3.07 -1.81 -0.00 114.58 116.76 1aq8 h GLU 204 Ca 0.09 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1aq8 h GLU 204 Cb 0.26 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1aq8 h GLU 204 CO -0.56 -0.19 0.31 -0.44 -1.40 0.00 0.00 179.01 176.72 1aq8 h ASP 205 N -0.30 0.75 -0.69 1.42 3.45 -1.79 -2.76 116.42 116.50 1aq8 h ASP 205 Ca 0.11 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1aq8 h ASP 205 Cb 0.47 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 1aq8 h ASP 205 CO -0.33 0.64 0.41 0.74 -1.57 0.00 0.00 179.24 179.13 1aq8 h THR 206 N 0.80 1.20 -0.85 0.35 2.02 -0.66 -2.15 112.91 113.63 1aq8 h THR 206 Ca 0.21 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1aq8 h THR 206 Cb 0.07 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1aq8 h THR 206 CO -0.03 0.21 0.56 0.58 0.37 0.00 0.00 175.52 177.21 1aq8 h VAL 207 N 0.95 1.11 -0.35 3.16 2.07 -0.77 0.13 116.25 122.54 1aq8 h VAL 207 Ca 0.25 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1aq8 h VAL 207 Cb -0.02 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1aq8 h VAL 207 CO -0.05 0.19 0.22 0.11 0.02 0.00 0.00 177.57 178.06 1aq8 h LYS 208 N 1.02 0.47 -0.38 1.57 1.57 -1.12 -1.12 116.57 118.58 1aq8 h LYS 208 Ca 0.35 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1aq8 h LYS 208 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1aq8 h LYS 208 CO -0.11 0.34 0.02 0.28 -0.57 0.00 0.00 179.45 179.41 1aq8 h VAL 209 N 0.47 1.25 -1.00 0.50 2.07 -0.99 -2.86 116.25 115.69 1aq8 h VAL 209 Ca 0.13 -0.96 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1aq8 h VAL 209 Cb -0.02 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1aq8 h VAL 209 CO -0.03 0.32 0.63 0.24 0.02 0.00 0.00 177.57 178.76 1aq8 h MET 210 N 0.49 0.97 0.00 1.57 2.86 -0.42 -0.52 114.93 119.88 1aq8 h MET 210 Ca 0.11 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1aq8 h MET 210 Cb 0.44 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1aq8 h MET 210 CO 0.02 0.64 0.00 0.00 1.06 0.00 0.00 176.91 178.63 1aq8 h ARG 211 N 1.00 0.00 0.00 1.72 3.08 -0.97 -0.96 114.38 118.25 1aq8 h ARG 211 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1aq8 h ARG 211 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1aq8 h ARG 211 CO -0.26 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.89 1aq8 n THR 212 N -2.76 0.59 -2.06 2.04 -2.24 -0.20 -4.90 114.28 104.75 1aq8 n THR 212 Ca -0.01 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 1aq8 n THR 212 Cb 0.12 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 1aq8 n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aq8 n LEU 213 N -2.25 -1.76 -3.84 3.22 4.77 -0.37 -4.95 117.00 111.83 1aq8 n LEU 213 Ca 0.06 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.94 1aq8 n LEU 213 Cb 0.43 -2.88 -0.15 0.00 -2.33 0.00 0.00 43.42 38.49 1aq8 n LEU 213 CO 0.30 -0.58 -0.32 -0.89 -1.33 0.00 0.00 177.39 174.57 1aq8 s THR 214 N -2.92 1.46 0.39 -5.08 2.01 -1.26 -5.12 115.64 105.12 1aq8 s THR 214 Ca 0.00 -1.84 -0.26 0.00 0.31 0.00 0.00 61.69 59.90 1aq8 s THR 214 Cb 0.00 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 70.34 1aq8 s THR 214 CO 0.00 -0.66 1.26 -2.16 -0.69 0.00 0.00 174.62 172.37 1aq8 s PRO 215 N 1.27 4.06 0.25 4.92 0.04 -1.26 -4.91 135.00 139.36 1aq8 s PRO 215 Ca 0.11 2.07 0.15 0.00 0.04 0.00 0.00 61.00 63.36 1aq8 s PRO 215 Cb -0.18 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.60 1aq8 s PRO 215 CO -0.17 -0.38 1.35 1.79 0.04 0.00 0.00 177.00 179.63 1aq8 h THR 216 N 2.52 0.82 -3.66 1.26 1.35 -1.04 -3.45 112.91 110.72 1aq8 h THR 216 Ca -0.49 -2.20 -0.22 0.00 -0.55 0.00 0.00 66.41 62.95 1aq8 h THR 216 Cb 1.24 2.37 -0.27 0.00 -1.73 0.00 0.00 68.15 69.76 1aq8 h THR 216 CO 0.63 0.47 -0.67 -1.00 -0.25 0.00 0.00 175.52 174.69 1aq8 s HIS 217 N -2.95 -0.02 -0.29 4.73 3.76 -1.12 -4.84 115.29 114.55 1aq8 s HIS 217 Ca 0.03 0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.99 1aq8 s HIS 217 Cb 0.08 0.00 0.09 0.00 1.11 0.00 0.00 32.58 33.86 1aq8 s HIS 217 CO 0.76 -0.03 0.08 0.08 -0.85 0.00 0.00 174.74 174.78 1aq8 s VAL 218 N -0.07 0.80 0.25 -0.90 1.01 -0.29 -0.45 120.40 120.75 1aq8 s VAL 218 Ca -0.01 -1.24 0.09 0.00 0.00 0.00 0.00 61.98 60.82 1aq8 s VAL 218 Cb -0.01 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1aq8 s VAL 218 CO 0.00 -0.59 -0.14 0.68 0.00 0.00 0.00 175.10 175.04 1aq8 s VAL 219 N 1.67 2.00 -0.12 2.92 -7.23 -0.25 0.55 120.40 119.93 1aq8 s VAL 219 Ca 0.08 -2.26 -0.04 0.00 -1.81 0.00 0.00 61.98 57.95 1aq8 s VAL 219 Cb -0.17 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1aq8 s VAL 219 CO -0.23 -0.45 0.03 -0.36 -0.31 0.00 0.00 175.10 173.78 1aq8 s PHE 220 N -2.80 3.22 -1.39 2.82 0.08 -1.26 -0.17 117.98 118.48 1aq8 s PHE 220 Ca 0.27 0.14 -0.06 0.00 0.12 0.00 0.00 56.93 57.40 1aq8 s PHE 220 Cb -0.01 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1aq8 s PHE 220 CO 0.11 0.36 0.86 -1.71 -0.10 0.00 0.00 175.22 174.73 1aq8 n ASN 221 N 2.65 -2.94 0.00 1.36 4.05 -0.89 -3.06 115.26 116.44 1aq8 n ASN 221 Ca -0.18 -0.78 0.00 0.00 0.45 0.00 0.00 54.58 54.07 1aq8 n ASN 221 Cb 0.53 -4.11 0.00 0.00 1.23 0.00 0.00 39.78 37.43 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 -1.63 2.95 3.44 8.20 0.00 -0.37 -4.80 105.19 112.98 1aq8 n GLY 222 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.38 -1.64 0.17 4.61 0.00 -1.17 -4.56 121.76 116.78 1aq8 s ALA 223 Ca 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 1aq8 s ALA 223 Cb 0.00 0.79 -0.10 0.00 0.00 0.00 0.00 23.12 23.81 1aq8 s ALA 223 CO 0.00 -0.75 1.65 0.08 0.00 0.00 0.00 175.76 176.73 1aq8 s VAL 224 N -3.62 2.47 -0.25 0.00 1.01 -0.36 -1.70 120.40 117.95 1aq8 s VAL 224 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1aq8 s VAL 224 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1aq8 s VAL 224 CO -0.12 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1aq8 n GLY 225 N 3.89 0.45 0.36 4.51 0.00 -1.26 -4.83 105.19 108.31 1aq8 n GLY 225 Ca 0.15 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 2.27 -1.07 4.61 0.00 -1.52 -2.42 119.26 121.14 1aq8 h ALA 226 Ca -0.05 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.21 1aq8 h ALA 226 Cb 0.58 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.99 1aq8 h ALA 226 CO 0.07 -0.41 0.03 1.28 0.00 0.00 0.00 179.25 180.22 1aq8 n LEU 227 N -4.43 6.12 0.00 0.00 4.77 -1.26 -4.77 117.00 117.44 1aq8 n LEU 227 Ca 0.10 -4.78 -0.26 0.00 -0.03 0.00 0.00 56.01 51.03 1aq8 n LEU 227 Cb 0.49 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1aq8 n LEU 227 CO 0.35 1.91 -0.17 0.35 -1.33 0.00 0.00 177.39 178.51 1aq8 n THR 228 N -0.66 0.00 -1.78 -5.08 -2.24 -0.91 -1.03 114.28 102.58 1aq8 n THR 228 Ca 0.49 -2.49 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 1aq8 n THR 228 Cb 0.65 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1aq8 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aq8 n GLY 229 N -0.94 3.15 0.04 3.38 0.00 -1.26 -0.65 105.19 108.91 1aq8 n GLY 229 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1aq8 n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aq8 n ASP 230 N 2.75 0.20 -1.12 1.61 5.75 -1.26 -1.41 116.55 123.07 1aq8 n ASP 230 Ca 0.00 0.55 0.12 0.00 -0.01 0.00 0.00 54.79 55.45 1aq8 n ASP 230 Cb 0.00 -0.59 0.22 0.00 -1.03 0.00 0.00 41.12 39.72 1aq8 n ASP 230 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aq8 n LYS 231 N -1.72 2.46 -2.03 0.11 5.02 0.18 -4.97 118.16 117.21 1aq8 n LYS 231 Ca 0.03 -2.20 -0.38 0.00 -2.02 0.00 0.00 58.31 53.74 1aq8 n LYS 231 Cb 0.17 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.53 2.88 0.68 7.82 0.00 -0.50 -4.04 121.76 127.08 1aq8 s ALA 232 Ca 0.38 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 1aq8 s ALA 232 Cb 0.22 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1aq8 s ALA 232 CO 0.31 -1.00 1.08 -1.64 0.00 0.00 0.00 175.76 174.51 1aq8 s MET 233 N -2.82 2.83 0.19 0.00 -1.94 -0.59 -4.83 119.30 112.14 1aq8 s MET 233 Ca 0.68 1.15 0.07 0.00 -1.71 0.00 0.00 55.69 55.88 1aq8 s MET 233 Cb -0.34 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.49 1aq8 s MET 233 CO 0.40 -1.20 -0.14 0.95 -0.01 0.00 0.00 175.02 175.03 1aq8 s THR 234 N -2.74 1.63 0.16 2.05 -4.23 -1.26 -0.79 115.64 110.46 1aq8 s THR 234 Ca 0.62 -2.14 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 1aq8 s THR 234 Cb -0.16 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.78 1aq8 s THR 234 CO 0.49 -0.60 1.04 0.00 -0.54 0.00 0.00 174.62 175.01 1aq8 s ALA 235 N -2.93 -1.66 0.06 3.99 0.00 -0.89 -4.92 121.76 115.41 1aq8 s ALA 235 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1aq8 s ALA 235 Cb -0.01 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1aq8 s ALA 235 CO 0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 175.76 174.71 1aq8 s ALA 236 N -2.46 0.61 0.17 0.00 0.00 -1.26 -1.94 121.76 116.88 1aq8 s ALA 236 Ca 0.19 -1.15 -0.33 0.00 0.00 0.00 0.00 51.96 50.68 1aq8 s ALA 236 Cb -0.02 0.21 -0.12 0.00 0.00 0.00 0.00 23.12 23.18 1aq8 s ALA 236 CO 0.04 -0.28 1.70 0.28 0.00 0.00 0.00 175.76 177.50 1aq8 n VAL 237 N 0.34 0.07 -0.15 0.00 0.31 -0.25 -1.16 118.33 117.49 1aq8 n VAL 237 Ca -0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1aq8 n VAL 237 Cb 0.60 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 3.85 0.88 3.73 2.92 0.00 0.14 -4.99 105.19 111.72 1aq8 n GLY 238 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.65 4.41 -0.27 1.61 2.12 -0.31 -4.80 118.70 120.81 1aq8 s GLU 239 Ca 0.00 0.83 -0.20 0.00 0.36 0.00 0.00 54.97 55.96 1aq8 s GLU 239 Cb 0.00 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1aq8 s GLU 239 CO 0.00 0.16 0.60 0.15 -0.54 0.00 0.00 175.26 175.64 1aq8 s LYS 240 N 0.47 4.05 -0.05 4.30 1.02 -1.26 -1.76 119.74 126.52 1aq8 s LYS 240 Ca 0.35 0.44 0.06 0.00 0.02 0.00 0.00 55.97 56.84 1aq8 s LYS 240 Cb -0.18 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.45 1aq8 s LYS 240 CO 0.18 -0.43 -0.24 0.08 -0.92 0.00 0.00 175.35 174.02 1aq8 s VAL 241 N 2.48 1.92 -0.20 3.17 1.01 0.47 0.33 120.40 129.58 1aq8 s VAL 241 Ca 0.25 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1aq8 s VAL 241 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1aq8 s VAL 241 CO 0.09 0.54 0.03 -0.22 0.00 0.00 0.00 175.10 175.54 1aq8 s LEU 242 N -0.19 3.45 -0.31 3.92 2.96 -0.23 -0.98 118.68 127.29 1aq8 s LEU 242 Ca -0.02 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1aq8 s LEU 242 Cb -0.13 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.74 1aq8 s LEU 242 CO 0.03 0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.54 1aq8 s ILE 243 N 0.89 3.13 -0.09 6.68 1.01 0.49 -1.24 121.20 132.06 1aq8 s ILE 243 Ca 0.02 -1.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.05 1aq8 s ILE 243 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1aq8 s ILE 243 CO 0.02 -0.16 0.67 -0.69 0.00 0.00 0.00 174.94 174.78 1aq8 s VAL 244 N 1.27 5.06 -0.03 2.92 1.01 0.41 -1.69 120.40 129.34 1aq8 s VAL 244 Ca -0.04 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.34 1aq8 s VAL 244 Cb -0.20 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1aq8 s VAL 244 CO -0.01 0.24 -0.14 -2.28 0.00 0.00 0.00 175.10 172.92 1aq8 s HIS 245 N 0.91 1.37 0.05 5.22 2.46 0.04 0.55 115.29 125.90 1aq8 s HIS 245 Ca 0.35 -0.35 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1aq8 s HIS 245 Cb -0.17 -0.93 -0.03 0.00 -0.13 0.00 0.00 32.58 31.32 1aq8 s HIS 245 CO 0.16 -0.11 -0.06 -1.54 -2.47 0.00 0.00 174.74 170.73 1aq8 s SER 246 N -0.00 0.71 -0.28 9.88 1.04 -0.84 -0.05 113.70 124.16 1aq8 s SER 246 Ca -0.01 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1aq8 s SER 246 Cb -0.09 0.09 0.15 0.00 0.10 0.00 0.00 66.02 66.28 1aq8 s SER 246 CO 0.01 -0.36 0.41 -1.58 0.98 0.00 0.00 173.24 172.71 1aq8 s GLN 247 N -2.48 0.40 0.01 4.02 -0.44 -0.87 -1.12 119.66 119.19 1aq8 s GLN 247 Ca -0.03 0.30 0.22 0.00 -2.50 0.00 0.00 55.36 53.34 1aq8 s GLN 247 Cb -0.03 -0.31 0.92 0.00 -1.64 0.00 0.00 33.01 31.95 1aq8 s GLN 247 CO -0.03 -0.90 1.69 0.00 0.50 0.00 0.00 175.29 176.55 1aq8 n ALA 248 N 5.36 1.98 0.00 1.58 0.00 -1.26 0.35 120.51 128.53 1aq8 n ALA 248 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1aq8 n ALA 248 Cb 0.50 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.54 0.49 -3.95 0.00 5.15 -1.26 -2.87 115.26 111.28 1aq8 n ASN 249 Ca 0.05 -0.01 -0.09 0.00 -0.60 0.00 0.00 54.58 53.93 1aq8 n ASN 249 Cb 0.26 0.12 -0.10 0.00 -0.53 0.00 0.00 39.78 39.52 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 -0.22 0.45 0.75 1.20 3.52 -1.26 -4.69 118.95 118.71 1aq8 s ARG 250 Ca 0.00 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 54.79 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 -0.10 1.19 -0.51 -0.81 0.00 0.00 175.30 175.07 1aq8 s ASP 251 N -1.77 4.09 0.10 -2.12 -0.00 -1.26 -3.62 116.67 112.09 1aq8 s ASP 251 Ca -0.10 2.29 -0.14 0.00 -0.00 0.00 0.00 52.55 54.60 1aq8 s ASP 251 Cb -0.05 -2.58 0.02 0.00 -0.00 0.00 0.00 42.92 40.31 1aq8 s ASP 251 CO -0.02 -2.33 0.33 0.28 -0.00 0.00 0.00 175.17 173.43 1aq8 s THR 252 N -2.13 0.09 -0.41 -1.27 -1.32 -0.34 -4.87 115.64 105.39 1aq8 s THR 252 Ca 0.72 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 60.48 1aq8 s THR 252 Cb -0.27 -1.17 0.16 0.00 -1.51 0.00 0.00 72.50 69.71 1aq8 s THR 252 CO 0.47 -0.42 0.31 0.00 -2.21 0.00 0.00 174.62 172.78 1aq8 s ARG 253 N -3.56 0.90 0.43 7.08 1.70 -1.26 -1.07 118.95 123.16 1aq8 s ARG 253 Ca 0.02 -1.98 -0.26 0.00 -0.47 0.00 0.00 55.73 53.05 1aq8 s ARG 253 Cb 0.02 -1.52 -0.09 0.00 -0.57 0.00 0.00 34.95 32.79 1aq8 s ARG 253 CO -0.10 -1.33 1.39 -2.30 -1.08 0.00 0.00 175.30 171.88 1aq8 n PRO 254 N 3.12 2.22 -3.68 3.89 -0.02 -1.13 0.06 135.00 139.46 1aq8 n PRO 254 Ca 0.24 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1aq8 n PRO 254 Cb 0.44 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 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 -1.18 -0.75 -0.56 6.00 2.46 0.42 -2.15 115.29 119.53 1aq8 s HIS 255 Ca 0.60 1.53 -0.17 0.00 0.47 0.00 0.00 55.06 57.48 1aq8 s HIS 255 Cb -0.47 0.36 0.11 0.00 -0.13 0.00 0.00 32.58 32.45 1aq8 s HIS 255 CO 0.59 -0.42 0.59 -1.17 -2.47 0.00 0.00 174.74 171.86 1aq8 s LEU 256 N 1.71 5.74 -0.06 8.88 2.96 -1.26 -0.69 118.68 135.96 1aq8 s LEU 256 Ca -0.08 -1.56 -0.29 0.00 -0.22 0.00 0.00 54.13 51.97 1aq8 s LEU 256 Cb -0.09 -2.26 -0.07 0.00 0.50 0.00 0.00 46.19 44.28 1aq8 s LEU 256 CO -0.14 -0.96 1.91 -0.63 -1.32 0.00 0.00 176.35 175.20 1aq8 s ILE 257 N 2.14 3.21 0.00 6.68 1.01 0.99 -1.05 121.20 134.18 1aq8 s ILE 257 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1aq8 s ILE 257 Cb -0.27 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1aq8 s ILE 257 CO 0.05 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1aq8 n GLY 258 N 4.71 0.63 0.00 6.18 0.00 -1.26 -3.60 105.19 111.85 1aq8 n GLY 258 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.60 5.79 3.61 -0.02 0.00 -0.21 -4.98 105.19 107.77 1aq8 n GLY 259 Ca 0.00 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1aq8 n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1aq8 n HIS 260 N 0.00 -1.83 -3.78 1.61 -0.00 -1.26 -4.76 115.22 105.20 1aq8 n HIS 260 Ca 0.00 -2.22 -0.35 0.00 -0.00 0.00 0.00 57.72 55.15 1aq8 n HIS 260 Cb 0.00 0.71 -0.11 0.00 -0.00 0.00 0.00 29.99 30.60 1aq8 n HIS 260 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1aq8 s GLY 261 N -3.19 2.46 0.21 -1.41 0.00 0.11 -4.78 107.32 100.72 1aq8 s GLY 261 Ca 0.25 -3.22 -0.12 0.00 0.00 0.00 0.00 44.72 41.63 1aq8 s GLY 261 CO 0.18 1.07 1.66 -0.55 0.00 0.00 0.00 173.10 175.46 1aq8 h ASP 262 N 6.96 -0.32 -3.24 1.64 3.32 -1.59 -1.17 116.42 122.02 1aq8 h ASP 262 Ca -0.04 0.15 -0.48 0.00 0.02 0.00 0.00 57.03 56.69 1aq8 h ASP 262 Cb 0.94 0.28 -0.38 0.00 0.22 0.00 0.00 39.33 40.39 1aq8 h ASP 262 CO 0.70 -0.13 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.01 1aq8 s TYR 263 N -6.17 0.98 -0.15 4.55 1.51 -1.01 -1.93 117.35 115.13 1aq8 s TYR 263 Ca -0.14 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 1aq8 s TYR 263 Cb 0.18 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1aq8 s TYR 263 CO 0.73 -0.43 -0.09 0.08 -1.11 0.00 0.00 175.55 174.72 1aq8 s VAL 264 N 1.87 1.32 -1.22 0.71 1.01 0.64 -0.17 120.40 124.56 1aq8 s VAL 264 Ca 0.04 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1aq8 s VAL 264 Cb -0.13 -1.35 0.17 0.00 0.00 0.00 0.00 36.38 35.07 1aq8 s VAL 264 CO -0.06 0.31 1.49 0.79 0.00 0.00 0.00 175.10 177.62 1aq8 n TRP 265 N 4.83 4.75 -0.14 5.22 8.01 0.62 -0.80 117.44 139.93 1aq8 n TRP 265 Ca -0.14 -3.29 0.15 0.00 -1.31 0.00 0.00 57.50 52.91 1aq8 n TRP 265 Cb 0.49 -2.18 0.51 0.00 -2.01 0.00 0.00 31.31 28.12 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 6.99 2.10 -0.00 6.99 0.00 -1.88 0.32 119.26 133.78 1aq8 h ALA 266 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1aq8 h ALA 266 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1aq8 h ALA 266 CO 1.29 -0.28 -0.29 0.25 0.00 0.00 0.00 179.25 180.22 1aq8 n THR 267 N -4.47 0.00 -0.75 0.00 -2.24 -1.26 -4.58 114.28 100.97 1aq8 n THR 267 Ca 0.13 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1aq8 n THR 267 Cb 0.49 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.44 1.32 3.61 3.38 0.00 0.11 -4.70 105.19 110.35 1aq8 n GLY 268 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.06 4.00 0.54 1.61 -0.14 -1.26 -0.73 119.74 123.70 1aq8 s LYS 269 Ca 0.00 -0.14 0.31 0.00 -1.36 0.00 0.00 55.97 54.77 1aq8 s LYS 269 Cb 0.00 -3.64 1.53 0.00 -1.68 0.00 0.00 37.83 34.04 1aq8 s LYS 269 CO 0.00 -0.18 2.08 0.74 -0.76 0.00 0.00 175.35 177.23 1aq8 h PHE 270 N 8.13 0.00 -0.00 3.18 0.05 -1.88 -1.83 116.94 124.60 1aq8 h PHE 270 Ca -0.34 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.45 1aq8 h PHE 270 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.13 1aq8 h PHE 270 CO 0.74 0.09 -0.03 0.09 -0.18 0.00 0.00 178.31 179.03 1aq8 n ASN 271 N -3.45 0.18 -4.50 2.17 3.02 -1.26 -4.59 115.26 106.83 1aq8 n ASN 271 Ca -0.01 -0.60 -0.37 0.00 -0.03 0.00 0.00 54.58 53.57 1aq8 n ASN 271 Cb 0.24 -0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.33 4.70 0.22 3.41 2.01 -0.69 -5.06 115.64 117.91 1aq8 s THR 272 Ca 0.36 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 1aq8 s THR 272 Cb 0.21 -3.22 -0.14 0.00 0.01 0.00 0.00 72.50 69.35 1aq8 s THR 272 CO 0.43 0.30 1.21 -2.65 -0.69 0.00 0.00 174.62 173.22 1aq8 n PRO 273 N 4.98 1.52 -2.49 4.92 -0.02 -1.26 -4.85 135.00 137.79 1aq8 n PRO 273 Ca -0.15 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1aq8 n PRO 273 Cb 0.52 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.69 3.72 0.48 0.52 0.04 -1.26 -4.94 135.00 132.87 1aq8 s PRO 274 Ca 0.68 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 1aq8 s PRO 274 Cb -0.74 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 1aq8 s PRO 274 CO 0.53 -0.51 0.96 -0.51 0.04 0.00 0.00 177.00 177.52 1aq8 s ASP 275 N -1.93 6.71 0.16 6.66 1.01 0.02 -4.76 116.67 124.54 1aq8 s ASP 275 Ca 0.68 1.58 0.09 0.00 0.71 0.00 0.00 52.55 55.61 1aq8 s ASP 275 Cb -0.18 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1aq8 s ASP 275 CO 0.21 -0.51 -0.20 0.68 0.21 0.00 0.00 175.17 175.56 1aq8 s VAL 276 N -2.48 1.93 -1.70 -1.27 -7.23 -1.26 -0.26 120.40 108.13 1aq8 s VAL 276 Ca 0.59 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1aq8 s VAL 276 Cb -0.10 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1aq8 s VAL 276 CO 0.26 -0.24 0.15 0.47 -0.31 0.00 0.00 175.10 175.43 1aq8 n ASP 277 N 0.37 -5.89 -4.75 4.85 10.43 -0.81 -4.94 116.55 115.80 1aq8 n ASP 277 Ca -0.14 -0.08 -0.41 0.00 2.57 0.00 0.00 54.79 56.73 1aq8 n ASP 277 Cb 0.56 -4.86 -0.02 0.00 1.84 0.00 0.00 41.12 38.65 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 -5.18 4.31 -0.20 -1.24 -1.52 -0.45 -4.79 119.66 110.58 1aq8 s GLN 278 Ca 0.07 2.25 -0.14 0.00 -1.95 0.00 0.00 55.36 55.59 1aq8 s GLN 278 Cb -0.03 -3.10 -0.20 0.00 -0.22 0.00 0.00 33.01 29.46 1aq8 s GLN 278 CO 0.09 -0.33 0.12 -0.85 -0.25 0.00 0.00 175.29 174.07 1aq8 n GLU 279 N 1.78 0.63 -3.68 2.91 0.28 -1.26 -0.71 120.64 120.60 1aq8 n GLU 279 Ca 0.04 0.40 -0.14 0.00 -0.16 0.00 0.00 57.16 57.30 1aq8 n GLU 279 Cb 0.41 -1.67 -0.14 0.00 1.43 0.00 0.00 31.44 31.47 1aq8 n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1aq8 s THR 280 N -2.46 -0.28 0.41 3.84 2.01 -1.26 -4.43 115.64 113.47 1aq8 s THR 280 Ca -0.29 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1aq8 s THR 280 Cb 0.08 -0.37 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1aq8 s THR 280 CO 0.62 0.12 0.49 -1.66 -0.69 0.00 0.00 174.62 173.50 1aq8 s TRP 281 N 2.12 2.80 -0.07 4.92 -2.14 -0.92 -4.99 118.94 120.67 1aq8 s TRP 281 Ca -0.00 -0.42 0.03 0.00 2.66 0.00 0.00 56.10 58.37 1aq8 s TRP 281 Cb -0.12 -2.27 0.01 0.00 -3.10 0.00 0.00 33.47 27.99 1aq8 s TRP 281 CO -0.07 -0.28 -0.17 0.12 -2.66 0.00 0.00 176.95 173.89 1aq8 s PHE 282 N -2.38 1.81 -0.21 1.66 5.36 -1.26 -2.85 117.98 120.10 1aq8 s PHE 282 Ca 0.52 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1aq8 s PHE 282 Cb -0.08 -1.26 0.05 0.00 -0.34 0.00 0.00 43.02 41.40 1aq8 s PHE 282 CO 0.31 -0.28 -0.07 0.42 -1.46 0.00 0.00 175.22 174.14 1aq8 s ILE 283 N 0.40 1.55 0.63 3.12 1.01 -0.24 -4.71 121.20 122.96 1aq8 s ILE 283 Ca -0.13 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.27 1aq8 s ILE 283 Cb -0.15 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1aq8 s ILE 283 CO 0.05 0.02 1.11 -2.16 0.00 0.00 0.00 174.94 173.96 1aq8 s PRO 284 N 1.41 2.95 0.39 2.79 0.04 -1.26 -1.20 135.00 140.11 1aq8 s PRO 284 Ca -0.04 1.43 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 1aq8 s PRO 284 Cb -0.18 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1aq8 s PRO 284 CO -0.07 -1.14 1.38 0.41 0.04 0.00 0.00 177.00 177.62 1aq8 n GLY 285 N -0.40 0.85 1.72 0.56 0.00 -1.24 -2.27 105.19 104.42 1aq8 n GLY 285 Ca 0.11 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1aq8 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq8 n GLY 286 N 0.64 0.50 3.40 -0.02 0.00 0.16 -4.80 105.19 105.07 1aq8 n GLY 286 Ca 0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 0.22 0.12 4.61 0.00 -0.96 -4.79 121.76 118.95 1aq8 s ALA 287 Ca 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1aq8 s ALA 287 Cb 0.00 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 1aq8 s ALA 287 CO 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 175.76 174.92 1aq8 s ALA 288 N -4.04 1.41 0.20 0.00 0.00 -1.26 -2.05 121.76 116.02 1aq8 s ALA 288 Ca 0.25 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1aq8 s ALA 288 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1aq8 s ALA 288 CO 0.07 0.07 0.11 0.20 0.00 0.00 0.00 175.76 176.21 1aq8 s GLY 289 N -2.44 1.41 -0.05 0.00 0.00 0.93 -3.11 107.32 104.07 1aq8 s GLY 289 Ca 0.08 -1.69 -0.03 0.00 0.00 0.00 0.00 44.72 43.08 1aq8 s GLY 289 CO 0.02 -1.43 0.12 0.00 0.00 0.00 0.00 173.10 171.81 1aq8 s ALA 290 N -4.06 -0.24 -0.05 3.20 0.00 -1.02 -0.78 121.76 118.80 1aq8 s ALA 290 Ca 0.36 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.80 1aq8 s ALA 290 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1aq8 s ALA 290 CO 0.10 -0.09 -0.19 0.00 0.00 0.00 0.00 175.76 175.59 1aq8 s ALA 291 N 0.50 1.66 -0.13 0.00 0.00 -0.68 -0.28 121.76 122.83 1aq8 s ALA 291 Ca -0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1aq8 s ALA 291 Cb -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1aq8 s ALA 291 CO -0.02 0.29 -0.05 0.12 0.00 0.00 0.00 175.76 176.10 1aq8 s PHE 292 N 0.06 2.99 -0.14 0.00 2.19 0.77 -0.38 117.98 123.47 1aq8 s PHE 292 Ca -0.05 -0.22 -0.11 0.00 0.33 0.00 0.00 56.93 56.88 1aq8 s PHE 292 Cb -0.13 -1.88 0.04 0.00 -1.31 0.00 0.00 43.02 39.75 1aq8 s PHE 292 CO 0.03 0.07 0.35 -0.47 1.83 0.00 0.00 175.22 177.04 1aq8 s TYR 293 N -0.01 -0.43 -0.37 10.12 5.04 -0.15 -1.63 117.35 129.92 1aq8 s TYR 293 Ca 0.00 1.00 -0.11 0.00 -2.44 0.00 0.00 57.07 55.53 1aq8 s TYR 293 Cb -0.13 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.35 1aq8 s TYR 293 CO 0.03 -0.23 0.20 0.99 -1.34 0.00 0.00 175.55 175.20 1aq8 s THR 294 N 0.58 4.58 0.37 4.34 2.01 -1.26 -0.39 115.64 125.86 1aq8 s THR 294 Ca -0.03 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 1aq8 s THR 294 Cb -0.05 -3.54 -0.11 0.00 0.01 0.00 0.00 72.50 68.82 1aq8 s THR 294 CO -0.04 -0.21 1.47 -0.36 -0.69 0.00 0.00 174.62 174.80 1aq8 s PHE 295 N 1.56 2.64 -0.00 4.92 0.40 -0.72 -4.85 117.98 121.93 1aq8 s PHE 295 Ca 0.02 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.52 1aq8 s PHE 295 Cb -0.19 -3.99 -0.00 0.00 0.51 0.00 0.00 43.02 39.35 1aq8 s PHE 295 CO 0.07 -2.91 0.00 1.04 0.70 0.00 0.00 175.22 174.11 1aq8 n GLN 296 N 0.60 1.93 -4.79 0.44 1.13 -1.26 0.24 117.38 115.66 1aq8 n GLN 296 Ca 0.01 -0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.80 1aq8 n GLN 296 Cb 0.39 -1.01 -0.15 0.00 0.11 0.00 0.00 30.24 29.59 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 -2.01 1.57 0.71 -1.09 -1.52 -1.26 -4.60 119.66 111.46 1aq8 s GLN 297 Ca -0.00 -0.96 -0.07 0.00 -1.95 0.00 0.00 55.36 52.38 1aq8 s GLN 297 Cb 0.00 -1.68 0.06 0.00 -0.22 0.00 0.00 33.01 31.18 1aq8 s GLN 297 CO 0.01 0.44 1.02 -1.25 -0.25 0.00 0.00 175.29 175.25 1aq8 s PRO 298 N -1.09 2.17 0.00 2.91 0.04 -1.26 -4.80 135.00 132.97 1aq8 s PRO 298 Ca 0.09 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1aq8 s PRO 298 Cb -0.09 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1aq8 s PRO 298 CO 0.01 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1aq8 n GLY 299 N -2.93 -0.41 3.83 0.56 0.00 0.27 -4.93 105.19 101.58 1aq8 n GLY 299 Ca 0.08 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1aq8 n GLY 299 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aq8 s ILE 300 N -0.02 4.80 0.03 -0.61 -4.36 -1.26 -1.11 121.20 118.67 1aq8 s ILE 300 Ca 0.00 0.96 0.05 0.00 -0.26 0.00 0.00 60.65 61.40 1aq8 s ILE 300 Cb 0.00 -3.78 -0.02 0.00 1.25 0.00 0.00 42.46 39.91 1aq8 s ILE 300 CO 0.00 0.29 -0.16 -0.31 0.24 0.00 0.00 174.94 175.00 1aq8 s TYR 301 N -1.42 1.40 -0.25 1.37 1.51 -0.02 -4.95 117.35 115.00 1aq8 s TYR 301 Ca 0.37 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1aq8 s TYR 301 Cb -0.16 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1aq8 s TYR 301 CO 0.19 0.04 -0.01 0.00 -1.11 0.00 0.00 175.55 174.66 1aq8 s ALA 302 N -0.77 2.85 -0.39 3.71 0.00 -1.24 -0.64 121.76 125.29 1aq8 s ALA 302 Ca 0.04 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1aq8 s ALA 302 Cb -0.08 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.23 1aq8 s ALA 302 CO 0.01 -0.67 0.36 -0.47 0.00 0.00 0.00 175.76 174.99 1aq8 s TYR 303 N 1.44 3.20 0.31 0.00 5.04 -0.02 -0.01 117.35 127.32 1aq8 s TYR 303 Ca 0.03 -0.30 0.03 0.00 -2.44 0.00 0.00 57.07 54.39 1aq8 s TYR 303 Cb -0.16 -2.71 -0.05 0.00 0.35 0.00 0.00 41.96 39.39 1aq8 s TYR 303 CO -0.02 -0.56 0.09 0.14 -1.34 0.00 0.00 175.55 173.87 1aq8 s VAL 304 N 1.95 0.80 -0.32 3.14 -7.23 0.13 -0.15 120.40 118.72 1aq8 s VAL 304 Ca 0.10 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 1aq8 s VAL 304 Cb -0.17 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1aq8 s VAL 304 CO 0.12 0.00 0.58 0.21 -0.31 0.00 0.00 175.10 175.69 1aq8 s ASN 305 N -3.43 6.42 0.00 4.85 3.84 -1.03 -0.44 114.94 125.14 1aq8 s ASN 305 Ca 0.35 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.68 1aq8 s ASN 305 Cb 0.07 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.47 1aq8 s ASN 305 CO 0.15 -0.47 0.22 1.57 -2.79 0.00 0.00 177.10 175.78 1aq8 n HIS 306 N 5.81 0.00 -3.30 0.43 -0.00 0.11 -3.90 115.22 114.38 1aq8 n HIS 306 Ca -0.03 0.00 -0.47 0.00 -0.00 0.00 0.00 57.72 57.23 1aq8 n HIS 306 Cb 0.49 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.99 30.43 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 -0.80 6.74 0.60 0.26 3.84 -1.26 -4.90 114.94 119.42 1aq8 s ASN 307 Ca 0.00 -2.62 0.28 0.00 0.21 0.00 0.00 52.86 50.74 1aq8 s ASN 307 Cb 0.00 -2.23 1.16 0.00 -0.55 0.00 0.00 41.25 39.63 1aq8 s ASN 307 CO 0.00 -0.62 1.53 -0.07 -2.79 0.00 0.00 177.10 175.15 1aq8 h LEU 308 N 8.02 0.00 -0.11 3.21 3.38 -1.99 0.40 115.31 128.22 1aq8 h LEU 308 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1aq8 h LEU 308 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1aq8 h LEU 308 CO 0.79 0.00 -0.18 0.40 0.09 0.00 0.00 178.44 179.53 1aq8 h ILE 309 N 0.00 1.38 -0.68 1.22 2.04 -1.90 -0.29 117.51 119.28 1aq8 h ILE 309 Ca 0.41 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1aq8 h ILE 309 Cb 2.34 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 40.44 1aq8 h ILE 309 CO -0.00 0.41 0.12 -0.33 0.00 0.00 0.00 178.15 178.35 1aq8 h GLU 310 N -0.10 1.11 0.63 2.37 5.08 -0.60 0.14 114.58 123.22 1aq8 h GLU 310 Ca 0.01 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1aq8 h GLU 310 Cb 0.75 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1aq8 h GLU 310 CO 0.04 1.01 -0.30 0.00 -1.00 0.00 0.00 179.01 178.76 1aq8 h ALA 311 N 1.07 -0.85 -0.01 3.43 0.00 -1.04 -1.65 119.26 120.21 1aq8 h ALA 311 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aq8 h ALA 311 Cb 0.43 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1aq8 h ALA 311 CO 0.01 -0.88 -0.49 1.19 0.00 0.00 0.00 179.25 179.09 1aq8 n PHE 312 N -5.38 0.00 -0.06 0.00 3.01 -0.13 -2.07 117.46 112.83 1aq8 n PHE 312 Ca -0.12 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.25 1aq8 n PHE 312 Cb 0.36 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.78 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 -0.08 0.26 0.06 -1.08 -0.58 0.41 -4.73 120.64 114.90 1aq8 n GLU 313 Ca 0.09 0.08 0.12 0.00 -0.42 0.00 0.00 57.16 57.03 1aq8 n GLU 313 Cb 0.46 -1.12 0.17 0.00 -0.57 0.00 0.00 31.44 30.38 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 -3.05 0.70 0.00 -4.62 4.32 -0.61 -4.99 117.00 108.75 1aq8 n LEU 314 Ca -0.20 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1aq8 n LEU 314 Cb 0.69 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1aq8 n LEU 314 CO 0.08 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 1aq8 n GLY 315 N 1.34 0.75 2.64 -0.72 0.00 -0.70 -1.14 105.19 107.37 1aq8 n GLY 315 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.98 6.06 -3.72 4.61 0.00 0.19 -4.22 120.51 122.44 1aq8 n ALA 316 Ca 0.00 -3.90 -0.13 0.00 0.00 0.00 0.00 53.44 49.41 1aq8 n ALA 316 Cb 0.00 -3.35 -0.14 0.00 0.00 0.00 0.00 19.45 15.96 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 2.16 -0.41 0.37 0.00 0.00 -1.23 -2.47 121.76 120.17 1aq8 s ALA 317 Ca 0.51 0.84 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1aq8 s ALA 317 Cb 0.14 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 1aq8 s ALA 317 CO -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 175.76 175.43 1aq8 s ALA 318 N 1.43 2.89 0.19 0.00 0.00 0.79 -4.43 121.76 122.64 1aq8 s ALA 318 Ca -0.07 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 49.78 1aq8 s ALA 318 Cb -0.11 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1aq8 s ALA 318 CO -0.07 -0.12 -0.16 -1.01 0.00 0.00 0.00 175.76 174.40 1aq8 s HIS 319 N -2.84 1.75 -0.06 0.00 3.76 -0.19 -0.84 115.29 116.87 1aq8 s HIS 319 Ca 0.34 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1aq8 s HIS 319 Cb 0.08 -0.83 0.02 0.00 1.11 0.00 0.00 32.58 32.96 1aq8 s HIS 319 CO 0.17 0.36 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.32 1aq8 s PHE 320 N -2.68 0.85 -0.28 1.40 0.08 0.19 -1.54 117.98 116.00 1aq8 s PHE 320 Ca 0.21 -0.27 -0.09 0.00 0.12 0.00 0.00 56.93 56.89 1aq8 s PHE 320 Cb -0.02 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 1aq8 s PHE 320 CO 0.07 -0.26 0.13 0.15 -0.10 0.00 0.00 175.22 175.21 1aq8 s LYS 321 N 1.21 3.58 -0.16 0.44 1.02 0.03 -0.84 119.74 125.03 1aq8 s LYS 321 Ca -0.06 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1aq8 s LYS 321 Cb -0.14 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1aq8 s LYS 321 CO -0.02 -0.29 -0.16 0.08 -0.92 0.00 0.00 175.35 174.04 1aq8 s VAL 322 N 1.65 2.54 0.43 3.17 1.01 -0.27 -2.09 120.40 126.84 1aq8 s VAL 322 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1aq8 s VAL 322 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1aq8 s VAL 322 CO 0.06 0.52 0.69 0.42 0.00 0.00 0.00 175.10 176.79 1aq8 s THR 323 N 0.91 4.97 -3.63 3.92 -4.23 -0.82 -0.57 115.64 116.20 1aq8 s THR 323 Ca -0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1aq8 s THR 323 Cb -0.15 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.83 1aq8 s THR 323 CO -0.02 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1aq8 n GLY 324 N -2.07 0.93 3.81 3.99 0.00 -1.26 -1.09 105.19 109.51 1aq8 n GLY 324 Ca -0.02 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.13 3.88 0.38 1.61 0.41 -1.26 -4.69 118.70 117.90 1aq8 s GLU 325 Ca 0.00 0.12 -0.27 0.00 -0.41 0.00 0.00 54.97 54.41 1aq8 s GLU 325 Cb 0.00 -3.28 -0.09 0.00 -1.78 0.00 0.00 34.13 28.97 1aq8 s GLU 325 CO 0.00 0.56 1.31 -0.46 -0.49 0.00 0.00 175.26 176.19 1aq8 s TRP 326 N -0.53 2.89 -0.45 1.61 -0.11 -1.26 -4.44 118.94 116.64 1aq8 s TRP 326 Ca 0.18 1.40 -0.08 0.00 1.22 0.00 0.00 56.10 58.82 1aq8 s TRP 326 Cb -0.14 -3.69 0.12 0.00 -1.50 0.00 0.00 33.47 28.25 1aq8 s TRP 326 CO 0.07 -2.05 0.31 1.21 -4.62 0.00 0.00 176.95 171.87 1aq8 s ASN 327 N -0.61 5.60 0.53 5.86 3.84 -1.26 -4.95 114.94 123.95 1aq8 s ASN 327 Ca 0.54 -1.92 0.33 0.00 0.21 0.00 0.00 52.86 52.02 1aq8 s ASN 327 Cb -0.39 -1.97 1.39 0.00 -0.55 0.00 0.00 41.25 39.73 1aq8 s ASN 327 CO 0.51 -0.65 1.98 0.44 -2.79 0.00 0.00 177.10 176.59 1aq8 h ASP 328 N 8.36 0.00 -0.20 -4.21 5.19 -1.95 -2.34 116.42 121.27 1aq8 h ASP 328 Ca -0.19 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.15 1aq8 h ASP 328 Cb 1.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 1aq8 h ASP 328 CO 0.82 0.00 -0.14 -0.78 -3.12 0.00 0.00 179.24 176.02 1aq8 h ASP 329 N 0.00 0.46 -0.34 6.45 -0.00 -2.02 -3.21 116.42 117.77 1aq8 h ASP 329 Ca 0.00 -0.44 -0.11 0.00 -0.00 0.00 0.00 57.03 56.48 1aq8 h ASP 329 Cb 0.47 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.66 1aq8 h ASP 329 CO 0.00 0.80 -0.22 -0.07 -0.00 0.00 0.00 179.24 179.75 1aq8 h LEU 330 N 0.12 0.78 -7.11 2.28 3.38 -1.94 -3.46 115.31 109.36 1aq8 h LEU 330 Ca 0.04 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1aq8 h LEU 330 Cb 0.65 -0.22 -0.21 0.00 0.09 0.00 0.00 40.66 40.97 1aq8 h LEU 330 CO 0.04 1.05 0.02 -0.32 0.09 0.00 0.00 178.44 179.31 1aq8 s MET 331 N -4.52 0.77 -0.05 1.13 0.00 -0.90 -5.14 119.30 110.59 1aq8 s MET 331 Ca -0.12 0.72 -0.27 0.00 0.00 0.00 0.00 55.69 56.02 1aq8 s MET 331 Cb 0.09 0.37 0.06 0.00 0.00 0.00 0.00 34.83 35.35 1aq8 s MET 331 CO 0.83 -0.13 0.59 -0.08 0.00 0.00 0.00 175.02 176.23 1aq8 s THR 332 N 0.03 0.01 -0.65 10.11 -1.32 -1.25 -3.81 115.64 118.76 1aq8 s THR 332 Ca -0.02 -0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 60.15 1aq8 s THR 332 Cb -0.04 -0.90 0.11 0.00 -1.51 0.00 0.00 72.50 70.16 1aq8 s THR 332 CO 0.02 -0.06 0.78 -0.55 -2.21 0.00 0.00 174.62 172.60 1aq8 s SER 333 N -1.17 6.27 0.27 8.08 0.15 -1.26 -4.89 113.70 121.15 1aq8 s SER 333 Ca -0.11 -1.55 -0.02 0.00 0.70 0.00 0.00 55.95 54.97 1aq8 s SER 333 Cb -0.01 -2.32 0.35 0.00 -1.71 0.00 0.00 66.02 62.33 1aq8 s SER 333 CO 0.08 -1.10 1.81 0.58 1.20 0.00 0.00 173.24 175.81 1aq8 h VAL 334 N 5.84 1.23 -2.68 4.45 2.07 -2.01 -3.39 116.25 121.75 1aq8 h VAL 334 Ca -0.22 -0.84 -0.36 0.00 0.82 0.00 0.00 66.70 66.10 1aq8 h VAL 334 Cb 1.08 0.64 -0.37 0.00 -1.52 0.00 0.00 31.29 31.11 1aq8 h VAL 334 CO 1.09 0.31 -0.66 -0.22 0.02 0.00 0.00 177.57 178.11 1aq8 s LEU 335 N -9.38 0.02 0.80 2.57 2.96 -1.26 -5.14 118.68 109.25 1aq8 s LEU 335 Ca -0.10 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.37 1aq8 s LEU 335 Cb 0.15 0.20 0.08 0.00 0.50 0.00 0.00 46.19 47.13 1aq8 s LEU 335 CO 0.81 -0.33 1.12 0.00 -1.32 0.00 0.00 176.35 176.63 1aq8 s ALA 336 N 2.27 2.02 -0.30 5.97 0.00 -1.26 -4.84 121.76 125.62 1aq8 s ALA 336 Ca 0.05 0.44 -0.39 0.00 0.00 0.00 0.00 51.96 52.07 1aq8 s ALA 336 Cb -0.16 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1aq8 s ALA 336 CO -0.11 -2.04 1.87 -2.30 0.00 0.00 0.00 175.76 173.18 1aq8 n PRO 337 N -3.58 1.11 -4.04 0.00 -0.02 -1.26 -4.92 135.00 122.29 1aq8 n PRO 337 Ca 0.10 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 1aq8 n PRO 337 Cb 0.52 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 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 4.54 0.23 0.00 2.55 1.04 -1.26 -5.30 113.70 115.50 1aq8 s SER 338 Ca 1.02 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1aq8 s SER 338 Cb -1.04 0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1aq8 s SER 338 CO 0.62 -1.18 0.26 0.61 0.98 0.00 0.00 173.24 174.53