#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au8 s ILE 17 N 0.00 5.39 -0.96 1.39 1.01 0.21 -3.86 121.20 124.37 1au8 s ILE 17 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1au8 s ILE 17 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1au8 s ILE 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1au8 n GLY 18 N 3.23 0.96 0.00 6.18 0.00 -1.24 -2.33 105.19 111.99 1au8 n GLY 18 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1au8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1au8 n GLY 19 N -1.74 2.34 3.22 -0.02 0.00 -1.26 -4.88 105.19 102.85 1au8 n GLY 19 Ca -0.10 -2.10 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 1au8 n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1au8 s ARG 20 N -0.16 0.96 0.17 1.61 1.70 -0.20 -4.92 118.95 118.11 1au8 s ARG 20 Ca 0.00 -1.20 -0.30 0.00 -0.47 0.00 0.00 55.73 53.76 1au8 s ARG 20 Cb 0.00 -0.80 -0.08 0.00 -0.57 0.00 0.00 34.95 33.49 1au8 s ARG 20 CO 0.00 0.15 1.34 -2.00 -1.08 0.00 0.00 175.30 173.71 1au8 s GLU 21 N -2.64 4.36 0.48 3.89 2.12 -1.26 -0.89 118.70 124.75 1au8 s GLU 21 Ca 0.07 2.07 -0.22 0.00 0.36 0.00 0.00 54.97 57.25 1au8 s GLU 21 Cb -0.05 -3.21 -0.07 0.00 0.26 0.00 0.00 34.13 31.06 1au8 s GLU 21 CO 0.02 -0.33 1.18 -1.12 -0.54 0.00 0.00 175.26 174.48 1au8 s SER 22 N 0.62 6.03 0.18 -1.70 0.01 -0.13 -4.85 113.70 113.86 1au8 s SER 22 Ca 0.60 2.33 -0.32 0.00 1.31 0.00 0.00 55.95 59.87 1au8 s SER 22 Cb -0.37 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.14 1au8 s SER 22 CO 0.35 -1.02 1.76 -1.14 0.41 0.00 0.00 173.24 173.60 1au8 n ARG 23 N -0.64 2.78 -1.61 12.44 0.63 -1.26 -4.88 116.66 124.12 1au8 n ARG 23 Ca 0.08 1.01 -0.50 0.00 -0.92 0.00 0.00 57.85 57.51 1au8 n ARG 23 Cb 0.48 -2.87 -0.05 0.00 0.45 0.00 0.00 32.46 30.47 1au8 n ARG 23 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1au8 n PRO 24 N 4.45 1.38 -1.81 -0.14 -0.02 -1.26 -2.43 135.00 135.18 1au8 n PRO 24 Ca 0.17 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.95 1au8 n PRO 24 Cb 0.35 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1au8 n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1au8 n HIS 25 N 2.67 -0.28 1.08 6.00 8.25 -1.26 -4.87 115.22 126.80 1au8 n HIS 25 Ca 0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.76 1au8 n HIS 25 Cb 0.22 -3.38 0.34 0.00 1.12 0.00 0.00 29.99 28.28 1au8 n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1au8 n SER 26 N -1.26 0.56 -3.39 0.41 3.41 -1.02 -4.16 113.62 108.16 1au8 n SER 26 Ca -0.20 -0.33 -0.26 0.00 -0.26 0.00 0.00 58.87 57.81 1au8 n SER 26 Cb 0.64 0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.63 1au8 n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1au8 n ARG 27 N -1.28 1.34 0.00 4.33 1.74 -1.26 -4.98 116.66 116.54 1au8 n ARG 27 Ca 0.08 -3.84 0.02 0.00 -0.77 0.00 0.00 57.85 53.34 1au8 n ARG 27 Cb 0.33 -1.76 0.10 0.00 -1.02 0.00 0.00 32.46 30.12 1au8 n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1au8 n PRO 28 N 1.55 0.08 0.00 5.56 -0.04 -1.26 -2.03 135.00 138.86 1au8 n PRO 28 Ca 0.25 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1au8 n PRO 28 Cb 0.46 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1au8 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1au8 n TYR 29 N -1.19 0.00 -2.30 0.54 0.18 -1.18 -2.41 117.16 110.80 1au8 n TYR 29 Ca 0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.39 1au8 n TYR 29 Cb 0.02 -0.10 -0.03 0.00 -0.38 0.00 0.00 39.34 38.86 1au8 n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1au8 s MET 30 N -2.82 4.46 0.02 -3.48 -1.94 -0.86 -0.85 119.30 113.83 1au8 s MET 30 Ca 0.14 1.98 0.07 0.00 -1.71 0.00 0.00 55.69 56.16 1au8 s MET 30 Cb 0.17 -3.19 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 1au8 s MET 30 CO 0.70 -0.10 -0.21 0.00 -0.01 0.00 0.00 175.02 175.40 1au8 s ALA 31 N -0.37 1.75 -0.17 3.03 0.00 -0.04 -4.31 121.76 121.64 1au8 s ALA 31 Ca 0.52 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1au8 s ALA 31 Cb -0.35 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1au8 s ALA 31 CO 0.41 0.41 -0.08 -0.47 0.00 0.00 0.00 175.76 176.03 1au8 s TYR 32 N -0.68 2.92 -0.20 0.00 5.04 -0.50 -1.92 117.35 122.00 1au8 s TYR 32 Ca 0.08 -0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 53.98 1au8 s TYR 32 Cb -0.08 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.24 1au8 s TYR 32 CO 0.01 -0.30 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.38 1au8 s LEU 33 N 0.78 3.04 -0.46 6.97 1.43 -0.23 -0.64 118.68 129.58 1au8 s LEU 33 Ca -0.03 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1au8 s LEU 33 Cb -0.15 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.37 1au8 s LEU 33 CO 0.01 0.03 0.36 -1.10 0.23 0.00 0.00 176.35 175.89 1au8 s GLN 34 N 1.17 2.91 -0.34 1.70 -0.21 -0.42 -2.21 119.66 122.25 1au8 s GLN 34 Ca 0.02 -1.35 -0.13 0.00 0.02 0.00 0.00 55.36 53.93 1au8 s GLN 34 Cb -0.14 -4.05 -0.01 0.00 1.00 0.00 0.00 33.01 29.80 1au8 s GLN 34 CO -0.00 -0.99 0.24 0.42 -2.12 0.00 0.00 175.29 172.84 1au8 s ILE 35 N 1.60 5.28 0.46 1.08 1.01 -0.16 -0.82 121.20 129.65 1au8 s ILE 35 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1au8 s ILE 35 Cb -0.24 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1au8 s ILE 35 CO 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 174.94 174.97 1au8 n GLN 36 N 5.11 -2.95 -3.29 2.79 6.02 0.11 -2.80 117.38 122.38 1au8 n GLN 36 Ca -0.13 2.33 -0.29 0.00 -0.01 0.00 0.00 57.00 58.90 1au8 n GLN 36 Cb 0.49 -3.02 -0.03 0.00 1.02 0.00 0.00 30.24 28.70 1au8 n GLN 36 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1au8 s SER 36 N -5.34 6.47 1.20 1.08 0.01 -1.26 -3.95 113.70 111.91 1au8 s SER 36 Ca 0.00 0.79 -0.20 0.00 1.31 0.00 0.00 55.95 57.85 1au8 s SER 36 Cb 0.00 -2.17 0.29 0.00 0.21 0.00 0.00 66.02 64.35 1au8 s SER 36 CO 0.00 -0.20 1.15 -2.16 0.41 0.00 0.00 173.24 172.43 1au8 s PRO 36 N -3.50 -1.22 -0.94 12.44 0.04 -1.26 -4.80 135.00 135.76 1au8 s PRO 36 Ca 0.45 -0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.03 1au8 s PRO 36 Cb -0.11 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 32.69 1au8 s PRO 36 CO 0.29 -3.69 2.16 0.00 0.04 0.00 0.00 177.00 175.81 1au8 s ALA 37 N -3.14 1.02 0.00 8.56 0.00 -1.26 -1.83 121.76 125.11 1au8 s ALA 37 Ca 0.72 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1au8 s ALA 37 Cb -0.07 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.43 1au8 s ALA 37 CO 0.55 -5.81 0.00 0.41 0.00 0.00 0.00 175.76 170.92 1au8 n GLY 38 N 6.53 -0.38 0.20 0.00 0.00 -1.26 -5.04 105.19 105.23 1au8 n GLY 38 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 1au8 n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1au8 h GLN 39 N 0.00 0.61 -1.50 1.61 -0.00 -1.48 -3.47 115.11 110.88 1au8 h GLN 39 Ca 0.00 -0.15 0.10 0.00 -0.00 0.00 0.00 58.65 58.60 1au8 h GLN 39 Cb 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 27.48 27.16 1au8 h GLN 39 CO 0.00 0.65 0.58 0.45 0.00 0.00 0.00 178.83 180.50 1au8 s SER 40 N -5.98 -0.34 0.04 -0.69 0.15 -1.12 -5.04 113.70 100.71 1au8 s SER 40 Ca -0.13 0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.99 1au8 s SER 40 Cb 0.10 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.77 1au8 s SER 40 CO 0.76 -0.26 -0.07 0.00 1.20 0.00 0.00 173.24 174.87 1au8 s ARG 41 N -0.78 0.51 0.28 5.44 3.03 -1.26 -0.98 118.95 125.19 1au8 s ARG 41 Ca 0.01 -0.70 -0.06 0.00 2.03 0.00 0.00 55.73 57.01 1au8 s ARG 41 Cb -0.02 -0.29 -0.01 0.00 -1.03 0.00 0.00 34.95 33.61 1au8 s ARG 41 CO -0.02 0.05 0.42 0.00 -1.13 0.00 0.00 175.30 174.63 1au8 n GLY 43 N -0.45 2.84 3.92 0.00 0.00 0.50 -1.06 105.19 110.94 1au8 n GLY 43 Ca 0.00 -2.30 0.03 0.00 0.00 0.00 0.00 46.02 43.75 1au8 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1au8 s GLY 44 N -4.05 -0.19 -0.06 -0.02 0.00 -0.81 -4.03 107.32 98.16 1au8 s GLY 44 Ca 0.27 0.18 -0.07 0.00 0.00 0.00 0.00 44.72 45.10 1au8 s GLY 44 CO 0.17 4.74 0.19 -0.11 0.00 0.00 0.00 173.10 178.09 1au8 s PHE 45 N -2.07 -0.19 0.00 1.90 -0.71 -0.61 -0.86 117.98 115.44 1au8 s PHE 45 Ca 0.27 0.45 -0.30 0.00 -1.04 0.00 0.00 56.93 56.30 1au8 s PHE 45 Cb 0.01 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1au8 s PHE 45 CO -0.02 -0.13 1.30 -1.17 -1.34 0.00 0.00 175.22 173.87 1au8 s LEU 46 N -0.08 4.32 0.00 -1.99 2.96 -0.03 -0.94 118.68 122.91 1au8 s LEU 46 Ca -0.02 2.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 1au8 s LEU 46 Cb -0.02 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1au8 s LEU 46 CO 0.00 -0.63 0.23 1.33 -1.32 0.00 0.00 176.35 175.96 1au8 n VAL 47 N 4.48 0.00 -3.54 1.68 0.24 -0.73 -1.14 118.33 119.31 1au8 n VAL 47 Ca 0.12 -0.47 -0.07 0.00 -2.04 0.00 0.00 64.34 61.88 1au8 n VAL 47 Cb 0.45 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 1au8 n VAL 47 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1au8 s ARG 48 N -0.84 0.68 0.39 7.34 3.52 -1.17 -4.79 118.95 124.08 1au8 s ARG 48 Ca 0.01 -0.26 0.27 0.00 -0.13 0.00 0.00 55.73 55.62 1au8 s ARG 48 Cb 0.01 0.31 1.38 0.00 -1.56 0.00 0.00 34.95 35.09 1au8 s ARG 48 CO 0.06 -0.30 1.83 0.93 -0.81 0.00 0.00 175.30 177.01 1au8 h GLU 49 N 2.00 0.00 0.00 5.12 3.07 -1.96 -2.65 114.58 120.16 1au8 h GLU 49 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1au8 h GLU 49 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1au8 h GLU 49 CO 0.28 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.49 1au8 n ASP 50 N -2.47 1.46 -3.94 1.42 5.75 -1.26 -0.96 116.55 116.56 1au8 n ASP 50 Ca -0.01 -1.62 -0.17 0.00 -0.01 0.00 0.00 54.79 52.98 1au8 n ASP 50 Cb 0.11 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.05 1au8 n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1au8 s PHE 51 N -0.62 0.56 -0.07 2.11 0.08 -1.00 -0.76 117.98 118.28 1au8 s PHE 51 Ca 0.00 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1au8 s PHE 51 Cb 0.00 -0.42 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 1au8 s PHE 51 CO 0.00 -0.06 -0.23 0.08 -0.10 0.00 0.00 175.22 174.91 1au8 s VAL 52 N 0.23 1.91 -0.15 -0.44 1.01 -0.17 -1.78 120.40 121.02 1au8 s VAL 52 Ca -0.03 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1au8 s VAL 52 Cb -0.06 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1au8 s VAL 52 CO -0.00 0.53 0.10 -0.22 0.00 0.00 0.00 175.10 175.51 1au8 s LEU 53 N 0.05 4.12 0.00 3.92 2.96 -0.12 -0.08 118.68 129.53 1au8 s LEU 53 Ca -0.08 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1au8 s LEU 53 Cb -0.15 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1au8 s LEU 53 CO 0.05 0.31 0.00 1.07 -1.32 0.00 0.00 176.35 176.46 1au8 n THR 54 N 2.65 0.00 -3.24 3.68 5.66 -0.23 -1.57 114.28 121.23 1au8 n THR 54 Ca -0.18 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.43 1au8 n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1au8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1au8 s ALA 55 N -1.23 3.57 0.43 1.79 0.00 -1.26 -1.05 121.76 124.00 1au8 s ALA 55 Ca 0.00 0.07 0.21 0.00 0.00 0.00 0.00 51.96 52.25 1au8 s ALA 55 Cb 0.00 -2.67 1.22 0.00 0.00 0.00 0.00 23.12 21.67 1au8 s ALA 55 CO 0.00 0.39 2.02 0.00 0.00 0.00 0.00 175.76 178.17 1au8 h ALA 56 N 4.48 1.45 0.00 0.00 0.00 -1.70 -1.78 119.26 121.70 1au8 h ALA 56 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1au8 h ALA 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1au8 h ALA 56 CO 0.64 0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.70 1au8 n HIS 57 N -3.94 0.22 1.21 0.00 1.44 -1.26 -1.63 115.22 111.26 1au8 n HIS 57 Ca -0.02 0.08 0.08 0.00 -2.01 0.00 0.00 57.72 55.85 1au8 n HIS 57 Cb 0.25 -0.63 0.28 0.00 0.12 0.00 0.00 29.99 30.01 1au8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1au8 n TRP 59 N 0.26 1.98 -3.60 0.00 -0.00 -0.64 -4.96 117.44 110.47 1au8 n TRP 59 Ca 0.13 0.48 -0.11 0.00 -0.00 0.00 0.00 57.50 58.00 1au8 n TRP 59 Cb 0.27 -2.34 -0.04 0.00 -0.00 0.00 0.00 31.31 29.21 1au8 n TRP 59 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1au8 s GLY 60 N -0.72 -0.32 0.31 5.87 0.00 -1.26 -5.04 107.32 106.17 1au8 s GLY 60 Ca 0.65 0.04 0.08 0.00 0.00 0.00 0.00 44.72 45.50 1au8 s GLY 60 CO 0.54 -0.19 1.73 1.48 0.00 0.00 0.00 173.10 176.67 1au8 h SER 61 N 2.24 0.18 -3.41 1.64 4.64 -1.96 -3.42 113.55 113.47 1au8 h SER 61 Ca -0.33 -0.07 -0.34 0.00 -0.47 0.00 0.00 61.79 60.58 1au8 h SER 61 Cb 1.27 -0.05 -0.36 0.00 -0.31 0.00 0.00 62.40 62.95 1au8 h SER 61 CO 0.43 0.57 -0.74 0.21 -0.87 0.00 0.00 176.83 176.43 1au8 s ASN 63 N -6.89 0.66 -0.09 4.97 3.84 -1.26 -5.03 114.94 111.14 1au8 s ASN 63 Ca -0.04 0.04 0.01 0.00 0.21 0.00 0.00 52.86 53.08 1au8 s ASN 63 Cb 0.14 -0.14 0.02 0.00 -0.55 0.00 0.00 41.25 40.71 1au8 s ASN 63 CO 0.76 -0.18 -0.10 -0.63 -2.79 0.00 0.00 177.10 174.15 1au8 s ILE 64 N 1.59 1.14 -0.32 -5.21 1.01 -1.26 0.10 121.20 118.25 1au8 s ILE 64 Ca -0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1au8 s ILE 64 Cb -0.13 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 1au8 s ILE 64 CO -0.03 0.37 0.18 0.21 0.00 0.00 0.00 174.94 175.68 1au8 s ASN 65 N 1.20 5.74 -0.15 3.58 2.47 0.00 -1.33 114.94 126.46 1au8 s ASN 65 Ca -0.04 -0.45 -0.14 0.00 0.42 0.00 0.00 52.86 52.65 1au8 s ASN 65 Cb -0.14 -2.05 -0.05 0.00 -1.45 0.00 0.00 41.25 37.56 1au8 s ASN 65 CO -0.03 -0.20 0.32 -0.69 -3.72 0.00 0.00 177.10 172.78 1au8 s VAL 66 N 1.66 5.28 -0.20 -5.21 1.01 0.38 -1.31 120.40 122.02 1au8 s VAL 66 Ca 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1au8 s VAL 66 Cb -0.17 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1au8 s VAL 66 CO 0.08 0.39 -0.10 -0.89 0.00 0.00 0.00 175.10 174.59 1au8 s THR 67 N 0.38 2.98 0.26 3.92 2.01 0.19 -1.14 115.64 124.24 1au8 s THR 67 Ca 0.18 -0.64 0.10 0.00 0.31 0.00 0.00 61.69 61.64 1au8 s THR 67 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1au8 s THR 67 CO 0.05 0.47 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.67 1au8 s LEU 68 N 1.25 3.15 -0.91 4.42 2.01 0.10 -1.41 118.68 127.30 1au8 s LEU 68 Ca 0.03 -0.66 0.00 0.00 0.01 0.00 0.00 54.13 53.51 1au8 s LEU 68 Cb -0.14 -1.68 0.00 0.00 0.01 0.00 0.00 46.19 44.38 1au8 s LEU 68 CO -0.04 0.01 0.00 0.61 1.01 0.00 0.00 176.35 177.94 1au8 n GLY 69 N -0.83 1.03 3.93 -3.19 0.00 -1.26 -0.77 105.19 104.10 1au8 n GLY 69 Ca -0.07 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1au8 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1au8 s ALA 70 N -2.28 3.76 0.11 4.61 0.00 -1.26 -3.86 121.76 122.85 1au8 s ALA 70 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1au8 s ALA 70 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1au8 s ALA 70 CO 0.00 0.26 0.00 1.58 0.00 0.00 0.00 175.76 177.60 1au8 n HIS 71 N -1.07 -0.39 -3.43 0.00 -0.00 -1.26 -4.69 115.22 104.38 1au8 n HIS 71 Ca -0.04 0.07 -0.44 0.00 0.46 0.00 0.00 57.72 57.77 1au8 n HIS 71 Cb 0.55 0.10 -0.09 0.00 -0.12 0.00 0.00 29.99 30.43 1au8 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1au8 s ASN 72 N -5.65 6.10 0.00 0.26 3.84 -1.26 -1.71 114.94 116.52 1au8 s ASN 72 Ca 0.00 -1.13 0.19 0.00 0.21 0.00 0.00 52.86 52.13 1au8 s ASN 72 Cb 0.00 -2.16 0.96 0.00 -0.55 0.00 0.00 41.25 39.49 1au8 s ASN 72 CO 0.00 -0.54 1.59 2.30 -2.79 0.00 0.00 177.10 177.66 1au8 n ILE 73 N 5.17 0.44 -0.41 -5.21 -6.64 0.13 -2.92 119.36 109.92 1au8 n ILE 73 Ca -0.12 0.11 0.10 0.00 -1.77 0.00 0.00 62.75 61.07 1au8 n ILE 73 Cb 0.45 -0.79 0.33 0.00 -1.44 0.00 0.00 39.64 38.19 1au8 n ILE 73 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1au8 n GLN 74 N -1.30 3.25 -4.14 6.28 1.13 -1.26 -4.92 117.38 116.42 1au8 n GLN 74 Ca 0.09 -2.67 -0.13 0.00 -1.94 0.00 0.00 57.00 52.35 1au8 n GLN 74 Cb 0.16 -1.75 -0.11 0.00 0.11 0.00 0.00 30.24 28.65 1au8 n GLN 74 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1au8 s ARG 75 N -1.54 0.74 -1.01 -1.09 0.52 -1.15 -5.08 118.95 110.35 1au8 s ARG 75 Ca 0.48 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 1au8 s ARG 75 Cb 0.29 -0.41 0.10 0.00 0.52 0.00 0.00 34.95 35.45 1au8 s ARG 75 CO 0.27 0.06 1.31 1.03 0.02 0.00 0.00 175.30 177.98 1au8 s ARG 76 N -2.54 3.66 0.10 3.54 0.52 -1.26 -4.94 118.95 118.03 1au8 s ARG 76 Ca 0.01 -1.60 -0.17 0.00 -0.52 0.00 0.00 55.73 53.46 1au8 s ARG 76 Cb -0.04 -5.13 -0.07 0.00 0.52 0.00 0.00 34.95 30.23 1au8 s ARG 76 CO -0.01 -1.96 0.54 -1.21 0.02 0.00 0.00 175.30 172.68 1au8 s GLU 77 N 3.54 4.07 0.31 3.54 2.02 -1.26 -4.98 118.70 125.94 1au8 s GLU 77 Ca 0.40 0.59 0.25 0.00 0.02 0.00 0.00 54.97 56.23 1au8 s GLU 77 Cb -0.02 -3.10 1.07 0.00 0.10 0.00 0.00 34.13 32.18 1au8 s GLU 77 CO -0.08 0.57 1.76 -2.95 0.02 0.00 0.00 175.26 174.58 1au8 h ASN 78 N 4.12 0.00 0.55 -0.19 -1.07 -1.95 -2.38 115.58 114.66 1au8 h ASN 78 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1au8 h ASN 78 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1au8 h ASN 78 CO 0.64 0.00 -0.16 0.35 0.07 0.00 0.00 177.43 178.33 1au8 n THR 79 N -2.37 0.00 -3.04 6.14 -2.24 -1.26 -4.91 114.28 106.60 1au8 n THR 79 Ca 0.02 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1au8 n THR 79 Cb 0.22 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 1au8 n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1au8 s GLN 80 N -2.71 4.21 -0.10 -0.78 -0.21 -0.90 -4.32 119.66 114.85 1au8 s GLN 80 Ca 0.22 0.90 -0.02 0.00 0.02 0.00 0.00 55.36 56.47 1au8 s GLN 80 Cb 0.19 -2.64 0.04 0.00 1.00 0.00 0.00 33.01 31.60 1au8 s GLN 80 CO 0.53 0.25 0.01 -0.65 -2.12 0.00 0.00 175.29 173.31 1au8 s GLN 81 N -2.45 0.64 -0.21 2.91 -0.21 0.05 -4.98 119.66 115.40 1au8 s GLN 81 Ca 0.50 -0.02 -0.08 0.00 0.02 0.00 0.00 55.36 55.78 1au8 s GLN 81 Cb -0.14 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.58 1au8 s GLN 81 CO 0.19 -0.38 0.08 -1.01 -2.12 0.00 0.00 175.29 172.05 1au8 s HIS 82 N 1.94 3.19 -0.07 0.91 3.76 -1.26 -0.72 115.29 123.04 1au8 s HIS 82 Ca 0.04 -0.07 -0.04 0.00 -0.15 0.00 0.00 55.06 54.83 1au8 s HIS 82 Cb -0.13 -2.16 0.03 0.00 1.11 0.00 0.00 32.58 31.43 1au8 s HIS 82 CO -0.06 -0.04 0.17 0.42 -0.85 0.00 0.00 174.74 174.38 1au8 s ILE 83 N 0.93 -0.04 0.29 0.60 1.01 -0.30 -5.00 121.20 118.69 1au8 s ILE 83 Ca 0.04 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1au8 s ILE 83 Cb -0.14 -0.27 -0.09 0.00 0.01 0.00 0.00 42.46 41.97 1au8 s ILE 83 CO 0.03 0.05 0.81 0.42 0.00 0.00 0.00 174.94 176.25 1au8 s THR 84 N 0.94 4.48 -0.01 2.92 -4.23 -1.26 -0.47 115.64 118.01 1au8 s THR 84 Ca -0.07 1.39 -0.30 0.00 -1.18 0.00 0.00 61.69 61.52 1au8 s THR 84 Cb -0.09 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1au8 s THR 84 CO -0.05 0.07 1.20 0.00 -0.54 0.00 0.00 174.62 175.30 1au8 s ALA 85 N -1.69 3.45 0.10 3.99 0.00 -0.44 -1.47 121.76 125.70 1au8 s ALA 85 Ca 0.49 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 1au8 s ALA 85 Cb -0.15 -3.49 -0.20 0.00 0.00 0.00 0.00 23.12 19.28 1au8 s ALA 85 CO 0.20 -0.63 1.21 -0.09 0.00 0.00 0.00 175.76 176.45 1au8 h ARG 86 N 7.22 0.35 -3.16 0.00 2.43 0.42 -3.44 114.38 118.19 1au8 h ARG 86 Ca -0.37 -0.48 -0.16 0.00 -0.81 0.00 0.00 59.98 58.16 1au8 h ARG 86 Cb 1.18 0.16 -0.25 0.00 -0.42 0.00 0.00 29.97 30.65 1au8 h ARG 86 CO 0.85 1.18 -0.42 1.03 -1.51 0.00 0.00 179.97 181.10 1au8 s ARG 87 N -2.94 0.34 -0.38 0.20 0.52 -0.92 -5.00 118.95 110.77 1au8 s ARG 87 Ca -0.05 0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.42 1au8 s ARG 87 Cb 0.08 0.16 0.11 0.00 0.52 0.00 0.00 34.95 35.82 1au8 s ARG 87 CO 0.88 -0.06 0.11 0.00 0.02 0.00 0.00 175.30 176.26 1au8 s ALA 88 N -0.14 2.78 -0.51 2.13 0.00 -1.26 -0.67 121.76 124.08 1au8 s ALA 88 Ca -0.03 -2.60 -0.17 0.00 0.00 0.00 0.00 51.96 49.16 1au8 s ALA 88 Cb -0.03 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.21 1au8 s ALA 88 CO 0.01 -1.78 0.53 0.42 0.00 0.00 0.00 175.76 174.94 1au8 s ILE 89 N 0.69 5.06 0.46 0.00 1.01 0.44 -4.97 121.20 123.91 1au8 s ILE 89 Ca 0.13 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1au8 s ILE 89 Cb -0.21 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.89 1au8 s ILE 89 CO -0.08 -0.78 0.97 -0.13 0.00 0.00 0.00 174.94 174.92 1au8 s ARG 90 N 2.08 4.09 0.30 2.79 0.52 -1.26 -0.72 118.95 126.75 1au8 s ARG 90 Ca 0.08 1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 56.08 1au8 s ARG 90 Cb -0.24 -2.16 -0.11 0.00 0.52 0.00 0.00 34.95 32.96 1au8 s ARG 90 CO 0.07 -0.15 1.60 -1.58 0.02 0.00 0.00 175.30 175.26 1au8 s HIS 91 N -2.32 2.73 0.62 -0.53 5.65 -0.75 -4.85 115.29 115.84 1au8 s HIS 91 Ca 0.61 0.77 0.35 0.00 0.25 0.00 0.00 55.06 57.05 1au8 s HIS 91 Cb -0.10 -4.09 2.01 0.00 -1.18 0.00 0.00 32.58 29.23 1au8 s HIS 91 CO 0.20 -3.64 2.25 -1.35 -0.65 0.00 0.00 174.74 171.55 1au8 h PRO 92 N 4.78 0.00 -0.44 2.88 0.11 -1.93 -2.03 132.00 135.36 1au8 h PRO 92 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1au8 h PRO 92 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1au8 h PRO 92 CO 0.79 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.62 1au8 n GLN 93 N -3.49 3.91 -1.83 1.05 1.13 -1.26 -4.99 117.38 111.90 1au8 n GLN 93 Ca -0.02 -2.97 -0.42 0.00 -1.94 0.00 0.00 57.00 51.64 1au8 n GLN 93 Cb 0.14 -2.03 -0.03 0.00 0.11 0.00 0.00 30.24 28.43 1au8 n GLN 93 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1au8 s TYR 94 N -2.65 2.02 -0.35 1.08 5.04 -0.77 -4.68 117.35 117.04 1au8 s TYR 94 Ca 0.48 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 55.11 1au8 s TYR 94 Cb 0.37 -4.07 0.06 0.00 0.35 0.00 0.00 41.96 38.67 1au8 s TYR 94 CO 0.14 -4.50 0.10 1.21 -1.34 0.00 0.00 175.55 171.16 1au8 s ASN 95 N 3.11 5.16 0.47 4.32 3.84 -0.71 -4.98 114.94 126.15 1au8 s ASN 95 Ca 0.79 -1.45 0.22 0.00 0.21 0.00 0.00 52.86 52.63 1au8 s ASN 95 Cb -0.41 -1.81 1.17 0.00 -0.55 0.00 0.00 41.25 39.65 1au8 s ASN 95 CO 0.35 -0.37 1.97 -0.61 -2.79 0.00 0.00 177.10 175.65 1au8 h GLN 96 N 8.10 0.00 0.02 0.43 4.15 -1.93 0.47 115.11 126.35 1au8 h GLN 96 Ca -0.20 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.09 1au8 h GLN 96 Cb 1.06 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.77 1au8 h GLN 96 CO 0.61 0.20 -0.55 -0.09 -1.93 0.00 0.00 178.83 177.07 1au8 h ARG 97 N 0.00 0.34 -0.00 1.69 2.43 -1.97 -3.33 114.38 113.54 1au8 h ARG 97 Ca -0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1au8 h ARG 97 Cb 0.47 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1au8 h ARG 97 CO 0.03 1.08 -0.82 0.25 -1.51 0.00 0.00 179.97 179.00 1au8 n THR 98 N -4.27 0.00 -3.60 0.20 -2.24 -1.20 -4.97 114.28 98.20 1au8 n THR 98 Ca -0.11 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 1au8 n THR 98 Cb 0.66 0.95 0.08 0.00 -2.10 0.00 0.00 70.33 69.91 1au8 n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1au8 n ILE 99 N -1.19 -3.61 -3.73 2.28 5.41 0.16 -4.88 119.36 113.80 1au8 n ILE 99 Ca 0.05 -0.13 -0.31 0.00 1.00 0.00 0.00 62.75 63.36 1au8 n ILE 99 Cb 0.36 -4.10 -0.05 0.00 -0.71 0.00 0.00 39.64 35.14 1au8 n ILE 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1au8 s GLN 100 N -6.13 3.58 -1.39 0.38 2.00 -0.78 -4.38 119.66 112.95 1au8 s GLN 100 Ca 0.45 -0.17 -0.06 0.00 -2.00 0.00 0.00 55.36 53.58 1au8 s GLN 100 Cb -0.20 -2.90 0.03 0.00 0.80 0.00 0.00 33.01 30.74 1au8 s GLN 100 CO 0.74 0.51 0.90 0.09 -0.50 0.00 0.00 175.29 177.02 1au8 n ASN 101 N 0.17 -3.24 -4.26 6.67 3.02 -1.26 -1.73 115.26 114.62 1au8 n ASN 101 Ca -0.03 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 1au8 n ASN 101 Cb 0.52 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 1au8 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1au8 n ASP 102 N -2.98 4.56 -3.79 6.41 2.03 -1.26 -4.35 116.55 117.18 1au8 n ASP 102 Ca -0.14 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1au8 n ASP 102 Cb 0.61 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 1au8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1au8 s ILE 103 N 3.78 0.03 -0.15 5.18 2.07 -1.26 -4.01 121.20 126.84 1au8 s ILE 103 Ca 0.51 -0.22 -0.17 0.00 -1.41 0.00 0.00 60.65 59.36 1au8 s ILE 103 Cb 0.08 -0.46 0.04 0.00 0.13 0.00 0.00 42.46 42.25 1au8 s ILE 103 CO 0.02 -0.12 0.46 -0.32 -1.91 0.00 0.00 174.94 173.06 1au8 s MET 104 N -0.45 0.58 -0.13 3.50 -2.45 -0.22 -1.81 119.30 118.31 1au8 s MET 104 Ca -0.06 0.55 -0.04 0.00 -1.25 0.00 0.00 55.69 54.89 1au8 s MET 104 Cb -0.04 0.28 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 1au8 s MET 104 CO 0.02 -0.09 0.01 -0.51 1.05 0.00 0.00 175.02 175.50 1au8 s LEU 105 N 0.04 3.59 -0.30 4.11 1.43 0.10 -1.07 118.68 126.58 1au8 s LEU 105 Ca -0.02 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1au8 s LEU 105 Cb -0.03 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.36 1au8 s LEU 105 CO 0.01 0.26 0.02 -0.76 0.23 0.00 0.00 176.35 176.12 1au8 s LEU 106 N -0.18 3.82 -0.33 1.79 1.43 0.88 -0.42 118.68 125.67 1au8 s LEU 106 Ca 0.05 -1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 51.86 1au8 s LEU 106 Cb -0.12 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1au8 s LEU 106 CO 0.02 -0.23 0.77 -1.58 0.23 0.00 0.00 176.35 175.56 1au8 s GLN 107 N 1.34 3.86 0.46 1.70 0.74 0.15 -1.00 119.66 126.91 1au8 s GLN 107 Ca -0.02 0.43 -0.23 0.00 0.05 0.00 0.00 55.36 55.59 1au8 s GLN 107 Cb -0.19 -3.77 -0.08 0.00 1.10 0.00 0.00 33.01 30.08 1au8 s GLN 107 CO -0.00 -0.75 1.13 -0.51 -0.55 0.00 0.00 175.29 174.60 1au8 s LEU 108 N 2.99 4.00 0.55 3.68 1.43 0.06 0.10 118.68 131.48 1au8 s LEU 108 Ca 0.31 2.21 0.29 0.00 -1.03 0.00 0.00 54.13 55.91 1au8 s LEU 108 Cb -0.14 -4.29 1.59 0.00 0.03 0.00 0.00 46.19 43.38 1au8 s LEU 108 CO 0.14 -0.85 2.13 0.77 0.23 0.00 0.00 176.35 178.77 1au8 h SER 109 N 2.01 0.00 -5.00 2.29 4.64 -1.56 -3.41 113.55 112.51 1au8 h SER 109 Ca -0.49 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 1au8 h SER 109 Cb 1.24 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.14 1au8 h SER 109 CO 0.60 0.08 -0.07 0.00 -0.87 0.00 0.00 176.83 176.57 1au8 s ARG 110 N -4.30 0.87 0.57 4.77 1.70 -1.26 -5.00 118.95 116.30 1au8 s ARG 110 Ca -0.03 -0.09 -0.19 0.00 -0.47 0.00 0.00 55.73 54.95 1au8 s ARG 110 Cb 0.14 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 1au8 s ARG 110 CO 0.57 -0.27 1.16 1.03 -1.08 0.00 0.00 175.30 176.71 1au8 s ARG 111 N -1.59 3.15 0.47 3.89 0.52 -1.26 -4.84 118.95 119.28 1au8 s ARG 111 Ca -0.11 1.70 -0.20 0.00 -0.52 0.00 0.00 55.73 56.60 1au8 s ARG 111 Cb -0.02 -1.97 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 1au8 s ARG 111 CO 0.04 -1.03 1.00 0.14 0.02 0.00 0.00 175.30 175.47 1au8 s VAL 112 N -1.72 4.08 -0.57 3.52 -7.23 -0.13 -4.98 120.40 113.37 1au8 s VAL 112 Ca 0.75 1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 61.98 1au8 s VAL 112 Cb -0.27 -3.52 0.09 0.00 0.56 0.00 0.00 36.38 33.23 1au8 s VAL 112 CO 0.30 -0.32 0.71 0.00 -0.31 0.00 0.00 175.10 175.48 1au8 s ARG 113 N -3.31 3.08 0.20 4.82 1.70 -1.26 -4.97 118.95 119.21 1au8 s ARG 113 Ca 0.64 -1.13 -0.32 0.00 -0.47 0.00 0.00 55.73 54.46 1au8 s ARG 113 Cb -0.13 -4.21 -0.11 0.00 -0.57 0.00 0.00 34.95 29.93 1au8 s ARG 113 CO 0.19 -1.46 1.68 0.50 -1.08 0.00 0.00 175.30 175.12 1au8 s ARG 114 N 2.81 4.15 0.31 3.89 3.52 -1.26 -4.85 118.95 127.52 1au8 s ARG 114 Ca 0.14 2.55 -0.18 0.00 -0.13 0.00 0.00 55.73 58.10 1au8 s ARG 114 Cb -0.22 -3.09 0.06 0.00 -1.56 0.00 0.00 34.95 30.14 1au8 s ARG 114 CO 0.09 -0.71 0.87 0.54 -0.81 0.00 0.00 175.30 175.28 1au8 s ASN 115 N 1.13 -0.01 0.50 -2.12 2.20 -0.73 -5.00 114.94 110.92 1au8 s ASN 115 Ca 0.73 -0.96 0.28 0.00 -0.94 0.00 0.00 52.86 51.97 1au8 s ASN 115 Cb -0.48 0.73 1.37 0.00 -2.00 0.00 0.00 41.25 40.87 1au8 s ASN 115 CO 0.33 -1.44 1.87 0.08 -2.94 0.00 0.00 177.10 175.00 1au8 h ARG 116 N 2.00 0.11 0.00 3.55 -0.00 -2.00 -0.36 114.38 117.69 1au8 h ARG 116 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 1au8 h ARG 116 Cb 1.24 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 1au8 h ARG 116 CO 0.38 0.08 -0.86 0.09 -0.00 0.00 0.00 179.97 179.66 1au8 n ASN 117 N -4.34 0.66 -3.60 0.08 5.03 -1.26 -4.75 115.26 107.07 1au8 n ASN 117 Ca 0.20 -0.02 -0.27 0.00 0.87 0.00 0.00 54.58 55.36 1au8 n ASN 117 Cb 0.92 0.50 -0.16 0.00 -1.02 0.00 0.00 39.78 40.02 1au8 n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1au8 s VAL 118 N -3.20 0.01 0.01 2.41 1.01 -0.14 -4.19 120.40 116.32 1au8 s VAL 118 Ca 0.04 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1au8 s VAL 118 Cb 0.14 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.76 1au8 s VAL 118 CO 0.77 -0.47 0.61 0.54 0.00 0.00 0.00 175.10 176.55 1au8 s ASN 119 N 2.08 -0.57 0.69 3.32 2.20 -1.01 -1.77 114.94 119.86 1au8 s ASN 119 Ca 0.05 0.43 -0.16 0.00 -0.94 0.00 0.00 52.86 52.23 1au8 s ASN 119 Cb -0.16 0.53 0.01 0.00 -2.00 0.00 0.00 41.25 39.63 1au8 s ASN 119 CO -0.21 -0.70 1.23 -2.84 -2.94 0.00 0.00 177.10 171.65 1au8 s PRO 120 N -1.98 2.38 0.07 3.55 0.02 -1.26 -3.09 135.00 134.69 1au8 s PRO 120 Ca -0.07 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1au8 s PRO 120 Cb -0.01 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1au8 s PRO 120 CO 0.03 -1.67 0.23 0.54 -0.33 0.00 0.00 177.00 175.79 1au8 s VAL 121 N -1.77 5.37 0.26 3.83 0.11 -0.29 -4.89 120.40 123.02 1au8 s VAL 121 Ca 0.77 -0.40 -0.29 0.00 -2.93 0.00 0.00 61.98 59.13 1au8 s VAL 121 Cb -0.31 -3.64 -0.09 0.00 -1.53 0.00 0.00 36.38 30.80 1au8 s VAL 121 CO 0.42 0.11 1.14 0.00 -3.33 0.00 0.00 175.10 173.44 1au8 s ALA 122 N -1.54 3.42 0.22 1.54 0.00 -1.26 -4.74 121.76 119.40 1au8 s ALA 122 Ca 0.35 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1au8 s ALA 122 Cb -0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1au8 s ALA 122 CO 0.28 -0.26 0.37 -0.51 0.00 0.00 0.00 175.76 175.63 1au8 s LEU 123 N -1.20 4.28 0.79 0.00 1.43 -1.26 -1.28 118.68 121.44 1au8 s LEU 123 Ca 0.47 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.63 1au8 s LEU 123 Cb -0.33 -2.97 0.06 0.00 0.03 0.00 0.00 46.19 42.99 1au8 s LEU 123 CO 0.41 -0.06 1.14 -2.16 0.23 0.00 0.00 176.35 175.91 1au8 s PRO 124 N -3.74 2.16 0.68 1.29 0.04 -1.26 -4.84 135.00 129.33 1au8 s PRO 124 Ca 0.35 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.56 1au8 s PRO 124 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1au8 s PRO 124 CO 0.30 -1.49 1.07 1.03 0.04 0.00 0.00 177.00 177.95 1au8 s ARG 125 N -5.44 2.92 0.43 4.56 1.81 -1.26 -4.91 118.95 117.05 1au8 s ARG 125 Ca 0.61 1.10 -0.25 0.00 -1.72 0.00 0.00 55.73 55.47 1au8 s ARG 125 Cb -0.12 -1.98 -0.08 0.00 -0.45 0.00 0.00 34.95 32.32 1au8 s ARG 125 CO 0.51 -1.12 1.24 0.00 -0.68 0.00 0.00 175.30 175.25 1au8 s ALA 126 N -2.79 3.14 -0.90 2.13 0.00 -1.26 -2.50 121.76 119.58 1au8 s ALA 126 Ca 0.61 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1au8 s ALA 126 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1au8 s ALA 126 CO 0.49 -0.76 0.00 0.94 0.00 0.00 0.00 175.76 176.43 1au8 n GLN 127 N -0.10 -1.11 -2.53 0.00 -0.06 -1.11 -4.96 117.38 107.50 1au8 n GLN 127 Ca 0.05 0.73 -0.43 0.00 -2.00 0.00 0.00 57.00 55.35 1au8 n GLN 127 Cb 0.45 -4.78 -0.02 0.00 -4.06 0.00 0.00 30.24 21.83 1au8 n GLN 127 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1au8 s GLU 128 N -2.45 4.10 0.31 3.69 2.56 -1.04 -5.02 118.70 120.84 1au8 s GLU 128 Ca 0.00 1.31 -0.03 0.00 0.00 0.00 0.00 54.97 56.26 1au8 s GLU 128 Cb 0.00 -3.76 0.07 0.00 2.00 0.00 0.00 34.13 32.43 1au8 s GLU 128 CO 0.00 -0.86 0.42 0.41 -0.56 0.00 0.00 175.26 174.67 1au8 n GLY 129 N 3.83 -0.15 3.06 -1.50 0.00 -1.26 -4.79 105.19 104.38 1au8 n GLY 129 Ca 0.13 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1au8 n GLY 129 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1au8 s LEU 130 N 0.00 0.48 0.15 0.99 2.96 -1.26 -5.14 118.68 116.86 1au8 s LEU 130 Ca 0.26 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 1au8 s LEU 130 Cb -0.01 0.74 -0.07 0.00 0.50 0.00 0.00 46.19 47.35 1au8 s LEU 130 CO 0.18 -0.16 0.90 -0.13 -1.32 0.00 0.00 176.35 175.82 1au8 s ARG 131 N 1.15 4.70 0.47 1.98 3.00 -1.26 -5.01 118.95 123.99 1au8 s ARG 131 Ca -0.08 1.37 -0.24 0.00 0.00 0.00 0.00 55.73 56.77 1au8 s ARG 131 Cb -0.10 -3.33 -0.07 0.00 0.00 0.00 0.00 34.95 31.45 1au8 s ARG 131 CO -0.08 0.37 1.38 -2.14 0.00 0.00 0.00 175.30 174.84 1au8 s PRO 132 N -0.55 3.60 0.00 3.54 0.02 -1.26 -2.62 135.00 137.72 1au8 s PRO 132 Ca 0.42 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1au8 s PRO 132 Cb -0.24 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1au8 s PRO 132 CO 0.29 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1au8 n GLY 133 N 0.62 0.57 3.74 0.52 0.00 0.10 -4.97 105.19 105.77 1au8 n GLY 133 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1au8 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1au8 s THR 134 N -2.16 3.13 -0.06 2.61 2.01 -1.08 -4.67 115.64 115.41 1au8 s THR 134 Ca 0.00 0.93 -0.25 0.00 0.31 0.00 0.00 61.69 62.69 1au8 s THR 134 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1au8 s THR 134 CO 0.00 0.14 0.76 -0.76 -0.69 0.00 0.00 174.62 174.07 1au8 s LEU 135 N -0.18 4.31 0.14 4.42 2.01 -1.26 -1.86 118.68 126.27 1au8 s LEU 135 Ca 0.57 1.26 0.05 0.00 0.01 0.00 0.00 54.13 56.02 1au8 s LEU 135 Cb -0.37 -3.18 -0.04 0.00 0.01 0.00 0.00 46.19 42.61 1au8 s LEU 135 CO 0.39 -0.16 -0.12 0.00 1.01 0.00 0.00 176.35 177.47 1au8 s THR 137 N -2.91 3.17 0.06 0.00 2.01 0.24 -0.75 115.64 117.46 1au8 s THR 137 Ca 0.15 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1au8 s THR 137 Cb -0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1au8 s THR 137 CO 0.02 0.58 -0.23 0.54 -0.69 0.00 0.00 174.62 174.84 1au8 s VAL 138 N -0.56 1.83 0.05 3.82 0.11 -0.60 0.12 120.40 125.16 1au8 s VAL 138 Ca 0.08 -1.32 -0.04 0.00 -2.93 0.00 0.00 61.98 57.77 1au8 s VAL 138 Cb -0.12 -1.59 -0.02 0.00 -1.53 0.00 0.00 36.38 33.12 1au8 s VAL 138 CO 0.01 0.21 0.05 0.00 -3.33 0.00 0.00 175.10 172.05 1au8 s ALA 139 N -0.85 0.13 0.00 1.54 0.00 -1.25 -1.55 121.76 119.78 1au8 s ALA 139 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1au8 s ALA 139 Cb -0.09 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1au8 s ALA 139 CO 0.02 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1au8 n GLY 140 N 0.49 -0.74 1.29 0.00 0.00 -0.61 -4.56 105.19 101.06 1au8 n GLY 140 Ca -0.17 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 44.84 1au8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1au8 n TRP 141 N -0.26 1.42 -1.23 1.61 8.01 -1.26 -2.53 117.44 123.20 1au8 n TRP 141 Ca 0.00 -0.96 -0.29 0.00 -1.31 0.00 0.00 57.50 54.94 1au8 n TRP 141 Cb 0.00 -0.43 0.23 0.00 -2.01 0.00 0.00 31.31 29.10 1au8 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1au8 n GLY 142 N -0.28 -2.48 3.79 6.99 0.00 -1.26 -4.51 105.19 107.45 1au8 n GLY 142 Ca 0.27 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1au8 n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1au8 s ARG 143 N -5.51 3.18 -0.00 1.61 0.52 0.11 -3.08 118.95 115.79 1au8 s ARG 143 Ca 0.70 1.25 0.21 0.00 -0.52 0.00 0.00 55.73 57.37 1au8 s ARG 143 Cb -0.06 -2.01 -0.23 0.00 0.52 0.00 0.00 34.95 33.17 1au8 s ARG 143 CO 0.53 -0.93 0.86 1.33 0.02 0.00 0.00 175.30 177.11 1au8 n VAL 144 N -2.13 0.00 -3.83 3.52 0.24 -0.85 -0.13 118.33 115.13 1au8 n VAL 144 Ca 0.09 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.34 62.34 1au8 n VAL 144 Cb 0.53 0.95 0.02 0.00 -1.47 0.00 0.00 33.84 33.87 1au8 n VAL 144 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1au8 n SER 145 N -1.53 -1.40 0.20 -1.34 3.41 -1.17 -4.46 113.62 107.34 1au8 n SER 145 Ca 0.04 -1.71 0.08 0.00 -0.26 0.00 0.00 58.87 57.02 1au8 n SER 145 Cb 0.34 2.27 0.38 0.00 -0.26 0.00 0.00 64.21 66.94 1au8 n SER 145 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1au8 h MET 146 N 0.00 0.00 0.01 4.33 1.85 -1.97 -3.31 114.93 115.85 1au8 h MET 146 Ca -0.22 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.53 1au8 h MET 146 Cb 0.99 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.97 1au8 h MET 146 CO 0.30 0.30 -2.06 -2.13 -0.40 0.00 0.00 176.91 172.92 1au8 n ARG 147 N -3.46 0.67 -4.03 0.39 0.63 -1.26 -5.02 116.66 104.58 1au8 n ARG 147 Ca 0.00 0.16 -0.08 0.00 -0.92 0.00 0.00 57.85 57.01 1au8 n ARG 147 Cb 0.48 -1.66 -0.10 0.00 0.45 0.00 0.00 32.46 31.63 1au8 n ARG 147 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1au8 s ARG 148 N -2.55 0.58 0.00 -0.14 1.70 -1.25 -5.11 118.95 112.19 1au8 s ARG 148 Ca -0.11 -1.03 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 1au8 s ARG 148 Cb 0.07 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1au8 s ARG 148 CO 0.81 -0.12 0.00 0.41 -1.08 0.00 0.00 175.30 175.31 1au8 n GLY 151 N 0.42 4.89 3.19 3.88 0.00 -1.26 -2.02 105.19 114.30 1au8 n GLY 151 Ca -0.16 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1au8 n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1au8 s THR 152 N 1.76 0.03 -0.17 2.61 -1.32 -1.26 -4.63 115.64 112.66 1au8 s THR 152 Ca 0.00 -0.25 0.20 0.00 -1.21 0.00 0.00 61.69 60.43 1au8 s THR 152 Cb 0.00 -0.48 -0.09 0.00 -1.51 0.00 0.00 72.50 70.42 1au8 s THR 152 CO 0.00 -0.14 0.88 0.47 -2.21 0.00 0.00 174.62 173.63 1au8 n ASP 153 N 2.18 0.78 -4.66 8.08 8.00 -1.26 -4.88 116.55 124.78 1au8 n ASP 153 Ca -0.17 0.32 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 1au8 n ASP 153 Cb 0.57 0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 42.03 1au8 n ASP 153 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1au8 s THR 154 N -3.15 3.47 0.21 -3.53 -4.23 -1.26 -0.69 115.64 106.46 1au8 s THR 154 Ca -0.02 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 1au8 s THR 154 Cb 0.09 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.95 1au8 s THR 154 CO 0.81 -0.36 1.43 -0.22 -0.54 0.00 0.00 174.62 175.74 1au8 s LEU 155 N -3.70 4.39 0.38 4.79 2.96 -0.69 -4.77 118.68 122.04 1au8 s LEU 155 Ca 0.32 2.58 0.05 0.00 -0.22 0.00 0.00 54.13 56.85 1au8 s LEU 155 Cb -0.06 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 1au8 s LEU 155 CO 0.20 -0.69 0.04 -0.13 -1.32 0.00 0.00 176.35 174.46 1au8 s ARG 156 N 0.09 1.83 0.21 1.98 0.52 -1.05 -0.96 118.95 121.57 1au8 s ARG 156 Ca 0.61 -2.05 -0.18 0.00 -0.52 0.00 0.00 55.73 53.60 1au8 s ARG 156 Cb -0.41 -1.16 0.03 0.00 0.52 0.00 0.00 34.95 33.93 1au8 s ARG 156 CO 0.39 -0.19 0.54 -1.83 0.02 0.00 0.00 175.30 174.24 1au8 s GLU 157 N -3.81 1.44 -0.02 3.54 -1.05 -0.07 -1.58 118.70 117.15 1au8 s GLU 157 Ca 0.32 -0.90 -0.26 0.00 -0.15 0.00 0.00 54.97 53.98 1au8 s GLU 157 Cb 0.08 0.53 0.06 0.00 -0.44 0.00 0.00 34.13 34.36 1au8 s GLU 157 CO 0.15 -0.62 0.59 0.54 0.95 0.00 0.00 175.26 176.87 1au8 s VAL 158 N -3.89 0.01 -0.20 1.83 0.11 -0.60 -1.04 120.40 116.64 1au8 s VAL 158 Ca 0.10 -0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1au8 s VAL 158 Cb -0.02 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1au8 s VAL 158 CO -0.01 -0.06 0.35 -1.10 -3.33 0.00 0.00 175.10 170.94 1au8 s GLN 159 N -1.58 4.18 0.16 1.54 -0.21 -1.26 -1.56 119.66 120.93 1au8 s GLN 159 Ca -0.10 0.12 0.11 0.00 0.02 0.00 0.00 55.36 55.51 1au8 s GLN 159 Cb -0.01 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1au8 s GLN 159 CO 0.06 0.03 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.51 1au8 s LEU 160 N 1.10 2.46 -0.15 2.90 1.43 0.07 -4.94 118.68 121.55 1au8 s LEU 160 Ca 0.17 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1au8 s LEU 160 Cb -0.14 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1au8 s LEU 160 CO 0.07 0.15 0.01 -0.60 0.23 0.00 0.00 176.35 176.20 1au8 s ARG 161 N -2.40 3.60 0.18 1.70 3.52 -1.26 -1.51 118.95 122.79 1au8 s ARG 161 Ca 0.18 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 55.05 1au8 s ARG 161 Cb -0.09 -2.99 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 1au8 s ARG 161 CO 0.09 0.38 1.39 0.08 -0.81 0.00 0.00 175.30 176.43 1au8 s VAL 162 N 0.03 3.02 0.31 7.11 1.01 -0.77 0.36 120.40 131.47 1au8 s VAL 162 Ca 0.03 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1au8 s VAL 162 Cb -0.13 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1au8 s VAL 162 CO 0.02 0.10 0.33 -1.10 0.00 0.00 0.00 175.10 174.45 1au8 s GLN 163 N 0.29 2.93 0.30 2.72 -1.52 -0.24 0.02 119.66 124.16 1au8 s GLN 163 Ca 0.61 -1.13 -0.29 0.00 -1.95 0.00 0.00 55.36 52.60 1au8 s GLN 163 Cb -0.39 -2.62 -0.10 0.00 -0.22 0.00 0.00 33.01 29.68 1au8 s GLN 163 CO 0.36 0.17 1.37 1.03 -0.25 0.00 0.00 175.29 177.97 1au8 s ARG 164 N -4.02 4.30 0.25 2.91 0.52 -1.26 -4.60 118.95 117.05 1au8 s ARG 164 Ca 0.40 2.28 -0.03 0.00 -0.52 0.00 0.00 55.73 57.86 1au8 s ARG 164 Cb -0.07 -3.08 0.47 0.00 0.52 0.00 0.00 34.95 32.79 1au8 s ARG 164 CO 0.28 -0.31 1.77 -0.44 0.02 0.00 0.00 175.30 176.62 1au8 h ASP 165 N 3.99 0.51 -1.40 0.23 3.32 -1.99 0.47 116.42 121.56 1au8 h ASP 165 Ca -0.48 0.08 0.43 0.00 0.02 0.00 0.00 57.03 57.08 1au8 h ASP 165 Cb 1.22 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.67 1au8 h ASP 165 CO 0.70 0.24 0.94 -0.09 -1.72 0.00 0.00 179.24 179.31 1au8 h ARG 166 N 0.62 0.09 0.03 3.56 2.43 -1.98 0.37 114.38 119.50 1au8 h ARG 166 Ca 0.43 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1au8 h ARG 166 Cb 0.56 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1au8 h ARG 166 CO -0.33 0.06 -0.02 1.96 -1.51 0.00 0.00 179.97 180.13 1au8 h GLN 167 N 0.09 -0.04 -0.08 0.20 4.20 -1.27 -3.17 115.11 115.04 1au8 h GLN 167 Ca 0.78 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 59.39 1au8 h GLN 167 Cb 2.64 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 30.42 1au8 h GLN 167 CO -0.26 0.55 -0.44 0.00 -0.67 0.00 0.00 178.83 178.00 1au8 h LEU 169 N 0.15 0.00 -1.53 0.00 5.85 -0.98 0.14 115.31 118.93 1au8 h LEU 169 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1au8 h LEU 169 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1au8 h LEU 169 CO 0.07 0.00 -0.09 -2.11 -0.34 0.00 0.00 178.44 175.96 1au8 n ARG 170 N -3.97 1.61 -0.07 1.25 1.85 -1.03 -4.54 116.66 111.77 1au8 n ARG 170 Ca 0.11 -1.44 -0.10 0.00 -1.00 0.00 0.00 57.85 55.42 1au8 n ARG 170 Cb 0.71 -1.36 -0.07 0.00 -1.05 0.00 0.00 32.46 30.70 1au8 n ARG 170 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1au8 n ILE 171 N 0.78 0.84 -4.20 8.89 5.41 0.03 -4.97 119.36 126.14 1au8 n ILE 171 Ca 0.10 -0.35 -0.34 0.00 1.00 0.00 0.00 62.75 63.16 1au8 n ILE 171 Cb 0.45 -0.98 -0.15 0.00 -0.71 0.00 0.00 39.64 38.25 1au8 n ILE 171 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1au8 s PHE 172 N -2.29 2.87 0.28 1.39 0.08 0.28 -5.03 117.98 115.55 1au8 s PHE 172 Ca -0.18 -1.05 -0.04 0.00 0.12 0.00 0.00 56.93 55.79 1au8 s PHE 172 Cb 0.05 -1.99 0.37 0.00 -0.57 0.00 0.00 43.02 40.88 1au8 s PHE 172 CO 0.36 -0.53 1.95 0.78 -0.10 0.00 0.00 175.22 177.68 1au8 h GLY 173 N 7.69 1.28 -3.26 4.36 0.00 -1.87 -3.03 103.07 108.24 1au8 h GLY 173 Ca -0.38 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1au8 h GLY 173 CO 0.60 0.46 0.00 1.44 0.00 0.00 0.00 176.54 179.04 1au8 n SER 174 N -4.40 5.16 -4.74 0.19 7.64 -1.26 -4.98 113.62 111.23 1au8 n SER 174 Ca 0.11 -2.70 -0.41 0.00 1.01 0.00 0.00 58.87 56.87 1au8 n SER 174 Cb 0.02 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1au8 n SER 174 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1au8 s TYR 175 N -2.34 3.08 -0.28 1.43 5.04 -1.15 -4.96 117.35 118.18 1au8 s TYR 175 Ca 0.51 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1au8 s TYR 175 Cb 0.37 -3.77 0.08 0.00 0.35 0.00 0.00 41.96 38.99 1au8 s TYR 175 CO 0.19 -2.48 0.04 0.34 -1.34 0.00 0.00 175.55 172.30 1au8 s ASP 176 N 0.37 4.00 0.66 4.32 -1.08 -1.26 -4.95 116.67 118.73 1au8 s ASP 176 Ca 0.59 -1.52 0.30 0.00 -0.52 0.00 0.00 52.55 51.40 1au8 s ASP 176 Cb -0.41 -1.07 1.65 0.00 -1.46 0.00 0.00 42.92 41.64 1au8 s ASP 176 CO 0.42 -0.35 1.94 1.55 0.52 0.00 0.00 175.17 179.25 1au8 h PRO 177 N 7.98 0.00 0.00 4.34 0.13 -1.95 0.86 132.00 143.35 1au8 h PRO 177 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1au8 h PRO 177 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1au8 h PRO 177 CO 0.45 0.00 -0.52 0.00 -0.23 0.00 0.00 178.00 177.70 1au8 h ARG 178 N 0.00 0.00 0.00 0.86 3.08 -2.02 -3.35 114.38 112.95 1au8 h ARG 178 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1au8 h ARG 178 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1au8 h ARG 178 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 1au8 n ARG 179 N -2.61 5.87 -4.40 0.04 1.74 -0.07 -4.73 116.66 112.51 1au8 n ARG 179 Ca 0.03 -0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1au8 n ARG 179 Cb 0.50 -0.49 -0.10 0.00 -1.02 0.00 0.00 32.46 31.35 1au8 n ARG 179 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1au8 s GLN 180 N -0.85 1.55 -0.00 5.56 -0.21 0.10 -0.31 119.66 125.50 1au8 s GLN 180 Ca 0.00 -1.84 0.04 0.00 0.02 0.00 0.00 55.36 53.57 1au8 s GLN 180 Cb 0.00 -0.66 -0.01 0.00 1.00 0.00 0.00 33.01 33.34 1au8 s GLN 180 CO 0.00 -0.21 -0.11 0.42 -2.12 0.00 0.00 175.29 173.27 1au8 s ILE 181 N -3.44 0.90 -0.24 1.08 1.01 0.08 -4.55 121.20 116.04 1au8 s ILE 181 Ca 0.36 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 1au8 s ILE 181 Cb 0.08 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1au8 s ILE 181 CO 0.14 0.20 0.30 0.00 0.00 0.00 0.00 174.94 175.58 1au8 s VAL 183 N 1.48 0.73 0.00 0.00 1.01 -0.33 -1.08 120.40 122.20 1au8 s VAL 183 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1au8 s VAL 183 Cb -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1au8 s VAL 183 CO 0.08 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1au8 n GLY 184 N 2.17 1.28 3.68 4.51 0.00 0.16 -0.19 105.19 116.79 1au8 n GLY 184 Ca -0.17 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1au8 n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1au8 s ASP 184 N -0.01 7.16 0.50 1.61 -1.08 -1.25 -4.02 116.67 119.58 1au8 s ASP 184 Ca 0.00 1.63 0.34 0.00 -0.52 0.00 0.00 52.55 54.00 1au8 s ASP 184 Cb 0.00 -2.56 1.62 0.00 -1.46 0.00 0.00 42.92 40.52 1au8 s ASP 184 CO 0.00 -0.52 2.01 0.08 0.52 0.00 0.00 175.17 177.26 1au8 h ARG 185 N 7.28 0.00 0.00 4.34 0.11 -1.95 -2.60 114.38 121.56 1au8 h ARG 185 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1au8 h ARG 185 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1au8 h ARG 185 CO 0.88 0.00 0.00 0.54 0.10 0.00 0.00 179.97 181.49 1au8 n ARG 186 N -2.81 0.22 -4.74 0.08 1.74 -1.26 -4.79 116.66 105.10 1au8 n ARG 186 Ca -0.01 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 1au8 n ARG 186 Cb 0.17 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 1au8 n ARG 186 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1au8 s GLU 187 N -2.75 1.62 -1.27 5.56 2.02 -0.98 -5.04 118.70 117.86 1au8 s GLU 187 Ca 0.20 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 53.99 1au8 s GLU 187 Cb 0.18 -1.85 0.18 0.00 0.10 0.00 0.00 34.13 32.74 1au8 s GLU 187 CO 0.45 0.47 1.92 0.54 0.02 0.00 0.00 175.26 178.65 1au8 n ARG 188 N 1.62 3.88 -3.96 1.61 1.74 -1.26 -4.75 116.66 115.54 1au8 n ARG 188 Ca -0.17 -3.63 -0.20 0.00 -0.77 0.00 0.00 57.85 53.08 1au8 n ARG 188 Cb 0.52 -2.83 -0.17 0.00 -1.02 0.00 0.00 32.46 28.96 1au8 n ARG 188 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1au8 s LYS 188 N -0.22 0.63 -0.05 5.56 1.02 -1.26 -3.73 119.74 121.69 1au8 s LYS 188 Ca 0.41 0.02 -0.31 0.00 0.02 0.00 0.00 55.97 56.10 1au8 s LYS 188 Cb 0.11 -0.81 0.12 0.00 -0.52 0.00 0.00 37.83 36.73 1au8 s LYS 188 CO -0.00 -0.18 1.19 0.00 -0.92 0.00 0.00 175.35 175.45 1au8 s ALA 189 N 1.34 -2.08 0.64 5.17 0.00 -0.98 -4.73 121.76 121.11 1au8 s ALA 189 Ca -0.05 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 1au8 s ALA 189 Cb -0.13 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 1au8 s ALA 189 CO -0.02 -0.88 1.00 0.00 0.00 0.00 0.00 175.76 175.86 1au8 s ALA 190 N -2.58 3.09 0.00 0.00 0.00 -1.26 -0.62 121.76 120.39 1au8 s ALA 190 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1au8 s ALA 190 Cb 0.02 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1au8 s ALA 190 CO -0.04 -0.89 0.00 0.34 0.00 0.00 0.00 175.76 175.18 1au8 n PHE 191 N -2.78 -0.08 -2.09 0.00 7.35 -1.26 -4.73 117.46 113.87 1au8 n PHE 191 Ca 0.05 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.32 1au8 n PHE 191 Cb 0.56 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.37 1au8 n PHE 191 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1au8 s LYS 192 N 0.01 3.85 0.00 -4.13 1.02 -1.26 -1.30 119.74 117.94 1au8 s LYS 192 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1au8 s LYS 192 Cb 0.00 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 1au8 s LYS 192 CO 0.00 -1.22 0.00 0.41 -0.92 0.00 0.00 175.35 173.62 1au8 n GLY 193 N 4.57 1.36 0.01 -3.33 0.00 -1.26 -0.71 105.19 105.83 1au8 n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1au8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1au8 n ASP 194 N 0.00 0.54 -4.61 1.61 8.00 -0.42 -3.68 116.55 117.99 1au8 n ASP 194 Ca 0.00 -0.31 -0.47 0.00 0.71 0.00 0.00 54.79 54.72 1au8 n ASP 194 Cb 0.00 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1au8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1au8 n SER 195 N -1.45 1.78 0.00 -2.24 7.64 -1.26 -1.88 113.62 116.20 1au8 n SER 195 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1au8 n SER 195 Cb 0.34 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1au8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1au8 n GLY 196 N 1.97 1.73 3.77 0.23 0.00 -0.52 -0.37 105.19 112.00 1au8 n GLY 196 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1au8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1au8 s GLY 197 N -2.28 2.37 0.52 -0.02 0.00 -0.79 -3.48 107.32 103.65 1au8 s GLY 197 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 44.72 45.21 1au8 s GLY 197 CO 0.00 1.01 1.01 2.56 0.00 0.00 0.00 173.10 177.68 1au8 s PRO 198 N -3.72 3.79 -0.34 2.90 0.05 -1.26 -1.37 135.00 135.05 1au8 s PRO 198 Ca 0.69 1.10 -0.03 0.00 0.05 0.00 0.00 61.00 62.82 1au8 s PRO 198 Cb -0.22 -2.11 0.07 0.00 0.05 0.00 0.00 34.50 32.30 1au8 s PRO 198 CO 0.34 -0.41 0.08 -1.17 0.05 0.00 0.00 177.00 175.89 1au8 s LEU 199 N -3.99 4.41 -0.33 -3.56 2.96 -0.36 -3.77 118.68 114.05 1au8 s LEU 199 Ca 0.62 -1.53 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 1au8 s LEU 199 Cb -0.12 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1au8 s LEU 199 CO 0.29 -0.36 0.22 -0.76 -1.32 0.00 0.00 176.35 174.42 1au8 s LEU 200 N 1.22 4.38 -0.22 -0.68 1.43 0.12 -1.02 118.68 123.91 1au8 s LEU 200 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1au8 s LEU 200 Cb -0.21 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 43.92 1au8 s LEU 200 CO -0.02 -0.19 -0.13 0.00 0.23 0.00 0.00 176.35 176.24 1au8 n ASN 202 N 4.62 -3.60 -0.92 0.00 3.02 -1.26 -2.26 115.26 114.86 1au8 n ASN 202 Ca -0.18 -0.74 -0.12 0.00 -0.03 0.00 0.00 54.58 53.51 1au8 n ASN 202 Cb 0.48 -4.24 -0.05 0.00 -0.61 0.00 0.00 39.78 35.36 1au8 n ASN 202 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1au8 n ASN 203 N -2.96 -4.88 -4.16 6.41 4.13 -1.26 -5.00 115.26 107.53 1au8 n ASN 203 Ca -0.11 0.30 -0.28 0.00 1.68 0.00 0.00 54.58 56.17 1au8 n ASN 203 Cb 0.60 -3.44 -0.16 0.00 -1.54 0.00 0.00 39.78 35.23 1au8 n ASN 203 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1au8 s VAL 204 N -2.30 1.61 -0.88 2.41 1.01 -0.96 -4.50 120.40 116.78 1au8 s VAL 204 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1au8 s VAL 204 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1au8 s VAL 204 CO 0.00 0.46 1.74 0.00 0.00 0.00 0.00 175.10 177.30 1au8 s ALA 209 N 0.07 2.12 -0.08 5.51 0.00 -0.40 -1.67 121.76 127.31 1au8 s ALA 209 Ca -0.06 -1.60 0.14 0.00 0.00 0.00 0.00 51.96 50.44 1au8 s ALA 209 Cb -0.13 -4.49 -0.09 0.00 0.00 0.00 0.00 23.12 18.40 1au8 s ALA 209 CO 0.03 -4.23 1.10 0.45 0.00 0.00 0.00 175.76 173.11 1au8 h HIS 210 N 11.25 0.00 -4.32 0.00 3.86 -1.41 -3.37 115.15 121.17 1au8 h HIS 210 Ca 0.05 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.08 1au8 h HIS 210 Cb 1.03 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.36 1au8 h HIS 210 CO 1.21 0.68 -0.52 0.20 0.86 0.00 0.00 177.93 180.36 1au8 s GLY 211 N -4.70 1.06 -0.08 2.45 0.00 -1.05 -1.45 107.32 103.55 1au8 s GLY 211 Ca -0.00 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1au8 s GLY 211 CO 0.79 -1.21 -0.13 -0.42 0.00 0.00 0.00 173.10 172.14 1au8 s ILE 212 N -4.08 1.22 0.17 0.90 1.01 -0.70 -1.22 121.20 118.49 1au8 s ILE 212 Ca 0.30 -0.51 -0.32 0.00 0.00 0.00 0.00 60.65 60.11 1au8 s ILE 212 Cb 0.06 -1.12 -0.12 0.00 0.01 0.00 0.00 42.46 41.28 1au8 s ILE 212 CO 0.07 0.38 1.73 0.52 0.00 0.00 0.00 174.94 177.64 1au8 n VAL 213 N 3.96 0.11 0.00 2.92 0.31 -0.47 -0.77 118.33 124.39 1au8 n VAL 213 Ca -0.21 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1au8 n VAL 213 Cb 0.52 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1au8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1au8 n SER 214 N 4.34 0.00 -3.69 4.52 2.88 -1.15 -1.44 113.62 119.07 1au8 n SER 214 Ca 0.17 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 1au8 n SER 214 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 1au8 n SER 214 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1au8 s TYR 215 N -0.83 -0.05 0.00 0.66 1.13 -0.99 -4.93 117.35 112.34 1au8 s TYR 215 Ca 0.00 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 1au8 s TYR 215 Cb 0.00 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.53 1au8 s TYR 215 CO 0.00 -1.27 0.00 0.41 -2.51 0.00 0.00 175.55 172.18 1au8 n GLY 216 N -0.47 1.26 3.76 5.49 0.00 -1.26 -0.40 105.19 113.57 1au8 n GLY 216 Ca -0.04 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1au8 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1au8 s LYS 217 N -1.00 3.54 0.52 1.61 1.02 -1.26 -4.90 119.74 119.27 1au8 s LYS 217 Ca 0.00 2.07 0.22 0.00 0.02 0.00 0.00 55.97 58.28 1au8 s LYS 217 Cb 0.00 -2.42 1.34 0.00 -0.52 0.00 0.00 37.83 36.23 1au8 s LYS 217 CO 0.00 -0.82 2.05 0.66 -0.92 0.00 0.00 175.35 176.32 1au8 h SER 218 N 1.93 0.01 0.19 2.83 4.64 -2.01 -0.51 113.55 120.64 1au8 h SER 218 Ca -0.50 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 1au8 h SER 218 Cb 1.27 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1au8 h SER 218 CO 0.59 0.01 -0.23 0.77 -0.87 0.00 0.00 176.83 177.10 1au8 h SER 219 N 0.02 0.08 0.00 4.97 4.64 -2.03 -3.46 113.55 117.76 1au8 h SER 219 Ca 0.16 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1au8 h SER 219 Cb 0.63 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1au8 h SER 219 CO -0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1au8 n GLY 220 N -0.79 0.71 3.64 -0.77 0.00 -0.20 -5.03 105.19 102.75 1au8 n GLY 220 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1au8 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1au8 s VAL 221 N -2.34 4.19 1.09 1.61 1.01 -1.26 -4.73 120.40 119.97 1au8 s VAL 221 Ca 0.00 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.21 1au8 s VAL 221 Cb 0.00 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.43 1au8 s VAL 221 CO 0.00 -0.37 0.54 -0.81 0.00 0.00 0.00 175.10 174.47 1au8 n PRO 224 N 7.09 -1.52 -2.91 2.72 -0.04 -1.26 -4.54 135.00 134.53 1au8 n PRO 224 Ca 0.14 -0.41 -0.31 0.00 -0.04 0.00 0.00 63.50 62.89 1au8 n PRO 224 Cb 0.46 -1.96 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1au8 n PRO 224 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1au8 s PRO 225 N -3.93 3.81 0.52 0.54 0.04 -1.26 -4.64 135.00 130.08 1au8 s PRO 225 Ca 0.62 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.17 1au8 s PRO 225 Cb -0.19 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1au8 s PRO 225 CO 0.65 -0.00 0.17 -1.83 0.04 0.00 0.00 177.00 176.03 1au8 s GLU 226 N -3.71 2.22 -0.12 4.56 -1.05 0.73 -4.67 118.70 116.65 1au8 s GLU 226 Ca 0.51 -2.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.11 1au8 s GLU 226 Cb -0.10 -1.78 -0.01 0.00 -0.44 0.00 0.00 34.13 31.80 1au8 s GLU 226 CO 0.29 -0.47 -0.17 0.08 0.95 0.00 0.00 175.26 175.95 1au8 s VAL 227 N -2.83 2.73 0.14 1.83 1.01 0.46 -1.19 120.40 122.56 1au8 s VAL 227 Ca 0.18 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1au8 s VAL 227 Cb -0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1au8 s VAL 227 CO 0.11 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.18 1au8 s PHE 228 N 0.36 2.45 0.15 5.22 0.40 -0.49 -2.35 117.98 123.73 1au8 s PHE 228 Ca -0.13 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 1au8 s PHE 228 Cb -0.17 -1.28 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 1au8 s PHE 228 CO 0.07 0.40 0.99 0.99 0.70 0.00 0.00 175.22 178.37 1au8 s THR 229 N -1.26 4.26 -0.63 0.64 2.01 0.05 -0.74 115.64 119.97 1au8 s THR 229 Ca 0.18 1.96 -0.24 0.00 0.31 0.00 0.00 61.69 63.90 1au8 s THR 229 Cb -0.10 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.21 1au8 s THR 229 CO 0.10 0.34 1.01 -0.60 -0.69 0.00 0.00 174.62 174.78 1au8 s ARG 230 N -0.33 3.21 0.29 4.92 3.52 0.58 -1.72 118.95 129.42 1au8 s ARG 230 Ca 0.46 -0.51 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 1au8 s ARG 230 Cb -0.25 -4.15 0.66 0.00 -1.56 0.00 0.00 34.95 29.65 1au8 s ARG 230 CO 0.32 -1.75 1.78 0.28 -0.81 0.00 0.00 175.30 175.11 1au8 h VAL 231 N 6.00 0.72 0.00 7.11 2.07 -1.55 -2.66 116.25 127.95 1au8 h VAL 231 Ca -0.28 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1au8 h VAL 231 Cb 1.07 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1au8 h VAL 231 CO 1.16 0.13 0.00 0.77 0.02 0.00 0.00 177.57 179.66 1au8 h SER 232 N 0.74 0.00 1.22 0.57 4.64 -1.87 -1.62 113.55 117.23 1au8 h SER 232 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1au8 h SER 232 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1au8 h SER 232 CO -0.37 0.00 -0.02 -1.20 -0.87 0.00 0.00 176.83 174.37 1au8 n SER 233 N -2.83 0.40 -0.36 4.97 7.64 -1.00 -2.77 113.62 119.67 1au8 n SER 233 Ca -0.02 0.52 0.03 0.00 1.01 0.00 0.00 58.87 60.42 1au8 n SER 233 Cb 0.11 -0.62 0.08 0.00 -1.01 0.00 0.00 64.21 62.77 1au8 n SER 233 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1au8 n PHE 234 N -1.87 0.23 -0.16 1.43 3.72 -0.61 -4.78 117.46 115.42 1au8 n PHE 234 Ca 0.06 -0.41 -0.03 0.00 -0.05 0.00 0.00 57.45 57.02 1au8 n PHE 234 Cb 0.38 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1au8 n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1au8 h LEU 235 N 1.24 -0.52 -1.11 4.37 -0.00 -1.65 0.16 115.31 117.79 1au8 h LEU 235 Ca 0.00 0.16 0.02 0.00 -0.00 0.00 0.00 57.88 58.06 1au8 h LEU 235 Cb 0.58 0.33 -0.05 0.00 -0.00 0.00 0.00 40.66 41.52 1au8 h LEU 235 CO 0.00 -0.18 0.61 -0.65 -0.00 0.00 0.00 178.44 178.21 1au8 h PRO 236 N -0.02 1.16 -0.26 1.13 0.11 -1.89 0.41 132.00 132.63 1au8 h PRO 236 Ca 0.24 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 1au8 h PRO 236 Cb 0.39 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1au8 h PRO 236 CO -0.53 0.77 -0.38 2.35 -0.21 0.00 0.00 178.00 180.01 1au8 h TRP 237 N 1.20 0.71 -0.10 0.65 7.01 -1.71 -1.66 115.95 122.04 1au8 h TRP 237 Ca 0.35 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1au8 h TRP 237 Cb -0.07 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1au8 h TRP 237 CO -0.00 0.89 0.01 0.82 -2.79 0.00 0.00 178.44 177.37 1au8 h ILE 238 N 0.50 1.23 -0.41 2.65 2.04 0.52 -1.69 117.51 122.36 1au8 h ILE 238 Ca 0.05 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1au8 h ILE 238 Cb 0.88 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1au8 h ILE 238 CO 0.08 0.21 -0.06 0.03 0.00 0.00 0.00 178.15 178.41 1au8 h ARG 239 N -0.08 0.69 -0.22 2.37 3.08 -0.21 -2.04 114.38 117.96 1au8 h ARG 239 Ca 0.03 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 1au8 h ARG 239 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1au8 h ARG 239 CO 0.00 0.74 -0.43 1.15 -1.07 0.00 0.00 179.97 180.37 1au8 h THR 240 N 0.64 1.31 -0.48 2.04 2.02 -1.27 -1.41 112.91 115.76 1au8 h THR 240 Ca 0.12 -1.64 -0.07 0.00 0.77 0.00 0.00 66.41 65.58 1au8 h THR 240 Cb 0.48 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1au8 h THR 240 CO 0.02 0.52 -0.01 0.74 0.37 0.00 0.00 175.52 177.17 1au8 h THR 241 N 0.39 1.24 0.17 3.16 2.02 -1.11 -0.95 112.91 117.83 1au8 h THR 241 Ca 0.01 -1.02 -0.32 0.00 0.77 0.00 0.00 66.41 65.85 1au8 h THR 241 Cb 1.03 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1au8 h THR 241 CO 0.10 0.36 -1.52 0.24 0.37 0.00 0.00 175.52 175.06 1au8 h MET 242 N 0.74 0.36 0.59 6.66 2.07 -1.39 -3.33 114.93 120.63 1au8 h MET 242 Ca 0.14 -0.61 -0.03 0.00 -2.07 0.00 0.00 59.70 57.13 1au8 h MET 242 Cb 0.46 0.23 0.01 0.00 -1.87 0.00 0.00 31.60 30.43 1au8 h MET 242 CO 0.02 1.26 -0.29 -0.09 1.07 0.00 0.00 176.91 178.88 1au8 h ARG 243 N 0.10 -0.77 0.00 1.72 2.43 -1.21 -3.52 114.38 113.13 1au8 h ARG 243 Ca -0.25 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1au8 h ARG 243 Cb 2.07 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 1au8 h ARG 243 CO 0.20 -0.46 0.00 -1.13 -1.51 0.00 0.00 179.97 177.07