#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hag s PHE 1 N 0.00 3.75 0.00 1.09 -0.12 -1.26 -4.36 117.98 117.08 1hag s PHE 1 Ca 0.00 1.37 0.00 0.00 -0.05 0.00 0.00 56.93 58.25 1hag s PHE 1 Cb 0.00 -2.69 0.00 0.00 -0.63 0.00 0.00 43.02 39.70 1hag s PHE 1 CO 0.00 0.38 0.00 0.41 -0.05 0.00 0.00 175.22 175.96 1hag n GLY 1 N 2.19 -0.10 1.53 1.99 0.00 -1.26 -4.45 105.19 105.09 1hag n GLY 1 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1hag n GLY 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hag n SER 1 N -0.12 5.04 0.00 1.61 3.41 -1.26 -4.85 113.62 117.45 1hag n SER 1 Ca 0.00 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1hag n SER 1 Cb 0.10 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1hag n SER 1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hag n GLY 1 N 0.29 3.56 2.76 5.00 0.00 -1.26 -5.08 105.19 110.46 1hag n GLY 1 Ca 0.25 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 1hag n GLY 1 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hag s GLU 1 N -4.03 0.27 0.18 1.61 2.56 -1.26 -4.67 118.70 113.35 1hag s GLU 1 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 54.97 54.82 1hag s GLU 1 Cb 0.00 -0.89 0.13 0.00 2.00 0.00 0.00 34.13 35.38 1hag s GLU 1 CO 0.00 -0.85 1.34 0.00 -0.56 0.00 0.00 175.26 175.20 1hag n ALA 1 N 5.32 -0.23 1.21 6.30 0.00 -1.26 -1.21 120.51 130.64 1hag n ALA 1 Ca -0.04 0.83 0.14 0.00 0.00 0.00 0.00 53.44 54.37 1hag n ALA 1 Cb 0.48 -0.31 0.54 0.00 0.00 0.00 0.00 19.45 20.15 1hag n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hag n ASP 1 N -5.22 0.34 -4.47 0.00 2.03 -1.26 -5.00 116.55 102.97 1hag n ASP 1 Ca 0.07 -0.21 -0.46 0.00 0.52 0.00 0.00 54.79 54.71 1hag n ASP 1 Cb 0.31 -0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 1hag n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hag n GLY 2 N 1.71 1.12 3.15 0.00 0.00 -0.10 -4.66 105.19 106.41 1hag n GLY 2 Ca 0.14 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1hag n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hag s LEU 3 N -2.55 4.00 -0.10 0.99 1.43 -1.13 -2.48 118.68 118.84 1hag s LEU 3 Ca 0.00 -1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 51.43 1hag s LEU 3 Cb 0.00 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1hag s LEU 3 CO 0.00 -0.28 1.14 -0.13 0.23 0.00 0.00 176.35 177.30 1hag s ARG 4 N 1.22 4.35 0.29 1.70 0.52 -1.26 -4.87 118.95 120.90 1hag s ARG 4 Ca -0.04 1.56 0.02 0.00 -0.52 0.00 0.00 55.73 56.76 1hag s ARG 4 Cb -0.20 -3.58 0.73 0.00 0.52 0.00 0.00 34.95 32.42 1hag s ARG 4 CO -0.02 -0.45 1.62 -1.35 0.02 0.00 0.00 175.30 175.13 1hag h PRO 5 N 7.42 0.14 -0.01 3.54 0.11 -1.88 -1.23 132.00 140.10 1hag h PRO 5 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1hag h PRO 5 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hag h PRO 5 CO 0.89 0.09 -0.35 1.28 -0.21 0.00 0.00 178.00 179.70 1hag n LEU 6 N -5.30 1.09 0.06 2.35 4.32 -1.26 -4.35 117.00 113.91 1hag n LEU 6 Ca 0.22 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1hag n LEU 6 Cb 0.72 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1hag n LEU 6 CO 0.03 0.21 0.00 0.49 -1.22 0.00 0.00 177.39 176.90 1hag n PHE 7 N -0.71 -0.41 -0.03 -1.77 3.01 -0.53 -4.76 117.46 112.24 1hag n PHE 7 Ca 0.10 0.07 -0.15 0.00 1.01 0.00 0.00 57.45 58.49 1hag n PHE 7 Cb 0.36 0.11 -0.09 0.00 -0.01 0.00 0.00 39.48 39.85 1hag n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1hag h GLU 8 N 0.00 0.30 -0.01 -1.08 3.07 -1.42 2.54 114.58 117.99 1hag h GLU 8 Ca 0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1hag h GLU 8 Cb 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1hag h GLU 8 CO 0.00 0.88 0.04 0.87 -1.40 0.00 0.00 179.01 179.39 1hag h LYS 9 N -0.21 0.00 -0.21 2.33 1.57 -1.73 -1.54 116.57 116.78 1hag h LYS 9 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hag h LYS 9 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1hag h LYS 9 CO 0.06 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.57 1hag n LYS 10 N -3.27 2.71 -3.73 3.15 5.02 -1.17 -4.91 118.16 115.97 1hag n LYS 10 Ca -0.03 -2.24 -0.27 0.00 -2.02 0.00 0.00 58.31 53.75 1hag n LYS 10 Cb 0.11 -1.41 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1hag n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hag n SER 11 N -0.22 -5.49 -4.49 4.39 2.88 -0.58 -4.99 113.62 105.12 1hag n SER 11 Ca 0.13 -0.65 -0.33 0.00 -1.33 0.00 0.00 58.87 56.69 1hag n SER 11 Cb 0.56 -4.35 -0.13 0.00 -0.75 0.00 0.00 64.21 59.53 1hag n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1hag s LEU 12 N -7.24 2.86 -0.03 2.46 1.43 0.85 -5.01 118.68 114.00 1hag s LEU 12 Ca 0.61 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1hag s LEU 12 Cb -0.29 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1hag s LEU 12 CO 0.75 0.33 0.15 -1.61 0.23 0.00 0.00 176.35 176.20 1hag s GLU 13 N -0.61 3.35 0.79 1.70 0.41 -1.26 -3.55 118.70 119.53 1hag s GLU 13 Ca 0.09 -0.32 -0.12 0.00 -0.41 0.00 0.00 54.97 54.21 1hag s GLU 13 Cb -0.11 -3.06 0.06 0.00 -1.78 0.00 0.00 34.13 29.24 1hag s GLU 13 CO 0.01 0.69 1.12 0.16 -0.49 0.00 0.00 175.26 176.75 1hag s ASP 14 N -1.73 4.66 0.00 -0.19 1.47 -1.26 -4.93 116.67 114.69 1hag s ASP 14 Ca 0.24 1.09 0.17 0.00 1.18 0.00 0.00 52.55 55.23 1hag s ASP 14 Cb -0.12 -1.78 0.82 0.00 -0.34 0.00 0.00 42.92 41.50 1hag s ASP 14 CO 0.15 -1.84 1.50 0.29 0.68 0.00 0.00 175.17 175.95 1hag n LYS 14 N -3.32 0.19 0.00 2.11 4.76 -1.26 -3.12 118.16 117.52 1hag n LYS 14 Ca 0.07 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1hag n LYS 14 Cb 0.58 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1hag n LYS 14 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1hag n THR 14 N -1.33 0.16 0.48 -0.18 -1.04 -1.26 -4.87 114.28 106.23 1hag n THR 14 Ca 0.07 -0.19 0.13 0.00 -2.04 0.00 0.00 64.05 62.02 1hag n THR 14 Cb 0.15 1.14 0.46 0.00 -1.82 0.00 0.00 70.33 70.26 1hag n THR 14 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1hag h GLU 14 N 0.00 0.00 -0.53 -2.82 4.11 -1.93 -3.08 114.58 110.34 1hag h GLU 14 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1hag h GLU 14 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1hag h GLU 14 CO 0.00 0.00 0.01 0.07 0.07 0.00 0.00 179.01 179.16 1hag h ARG 14 N 0.00 0.88 -0.73 1.06 -0.00 -1.89 -3.18 114.38 110.51 1hag h ARG 14 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 1hag h ARG 14 Cb 0.53 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 1hag h ARG 14 CO 0.00 0.87 0.00 0.39 -0.00 0.00 0.00 179.97 181.23 1hag n GLU 14 N -4.21 0.00 -0.00 0.08 1.02 -1.17 -2.47 120.64 113.89 1hag n GLU 14 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1hag n GLU 14 Cb 0.31 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1hag n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1hag n LEU 14 N 0.41 0.00 0.00 -4.62 7.99 -1.20 -4.79 117.00 114.80 1hag n LEU 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1hag n LEU 14 Cb 0.00 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1hag n LEU 14 CO 0.00 -0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.26 1hag n GLU 14 N 0.02 -0.98 0.00 3.23 1.02 -1.03 -4.97 120.64 117.93 1hag n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1hag n GLU 14 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1hag n GLU 14 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1hag n SER 14 N -2.84 2.34 -4.87 1.62 7.64 -1.26 -5.01 113.62 111.24 1hag n SER 14 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1hag n SER 14 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1hag n SER 14 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1hag s TYR 14 N -1.58 3.61 -0.05 1.43 1.51 -1.26 -4.48 117.35 116.53 1hag s TYR 14 Ca 0.00 1.29 -0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1hag s TYR 14 Cb 0.00 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1hag s TYR 14 CO 0.00 -0.63 -0.05 1.51 -1.11 0.00 0.00 175.55 175.27 1hag n ILE 14 N -2.59 0.28 -1.02 2.71 3.06 -1.24 -4.94 119.36 115.62 1hag n ILE 14 Ca 0.06 -0.10 -0.47 0.00 -2.50 0.00 0.00 62.75 59.73 1hag n ILE 14 Cb 0.54 -0.82 -0.10 0.00 0.54 0.00 0.00 39.64 39.80 1hag n ILE 14 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1hag n ASP 14 N -2.74 0.58 0.00 9.51 8.00 -1.26 -4.27 116.55 126.37 1hag n ASP 14 Ca -0.09 0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1hag n ASP 14 Cb 0.59 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1hag n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hag n GLY 14 N 5.97 0.51 2.49 0.44 0.00 -1.26 -5.06 105.19 108.28 1hag n GLY 14 Ca 0.45 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1hag n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hag n ARG 15 N 0.00 0.00 -3.41 1.61 1.85 -1.26 -4.80 116.66 110.65 1hag n ARG 15 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1hag n ARG 15 Cb 0.00 -1.11 -0.04 0.00 -1.05 0.00 0.00 32.46 30.26 1hag n ARG 15 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1hag n ILE 16 N 5.16 3.74 -1.89 8.89 3.06 -1.26 -5.05 119.36 132.00 1hag n ILE 16 Ca 0.45 -5.37 -0.41 0.00 -2.50 0.00 0.00 62.75 54.92 1hag n ILE 16 Cb -0.00 -2.30 -0.00 0.00 0.54 0.00 0.00 39.64 37.87 1hag n ILE 16 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1hag s VAL 17 N -1.86 2.25 0.00 9.51 0.11 -1.25 -4.21 120.40 124.94 1hag s VAL 17 Ca 0.31 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1hag s VAL 17 Cb -0.02 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1hag s VAL 17 CO -0.05 0.06 0.00 -1.84 -3.33 0.00 0.00 175.10 169.94 1hag n GLU 18 N 0.45 0.25 -3.16 1.54 0.00 -1.26 -3.64 120.64 114.82 1hag n GLU 18 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.90 1hag n GLU 18 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.79 1hag n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1hag n GLY 19 N 0.69 5.25 3.23 -1.84 0.00 -1.26 -4.63 105.19 106.63 1hag n GLY 19 Ca 0.00 -2.78 -0.33 0.00 0.00 0.00 0.00 46.02 42.91 1hag n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hag n SER 20 N 0.30 -2.48 -4.79 1.61 3.41 -1.15 -4.40 113.62 106.12 1hag n SER 20 Ca 0.31 -0.12 -0.36 0.00 -0.26 0.00 0.00 58.87 58.43 1hag n SER 20 Cb 0.39 -0.88 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1hag n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hag s ASP 21 N -1.72 6.86 0.64 4.04 1.11 -1.26 -1.68 116.67 124.66 1hag s ASP 21 Ca 0.53 1.95 -0.13 0.00 0.18 0.00 0.00 52.55 55.07 1hag s ASP 21 Cb -0.08 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1hag s ASP 21 CO 0.65 -0.42 1.06 0.00 1.18 0.00 0.00 175.17 177.64 1hag s ALA 22 N -1.74 2.73 0.42 5.23 0.00 0.44 -4.76 121.76 124.08 1hag s ALA 22 Ca 0.58 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 1hag s ALA 22 Cb -0.19 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1hag s ALA 22 CO 0.24 -0.98 0.80 -1.83 0.00 0.00 0.00 175.76 173.99 1hag s GLU 23 N -4.53 3.79 0.32 0.00 -1.05 -1.26 -4.94 118.70 111.03 1hag s GLU 23 Ca 0.61 0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 55.66 1hag s GLU 23 Cb -0.15 -2.36 -0.10 0.00 -0.44 0.00 0.00 34.13 31.08 1hag s GLU 23 CO 0.45 -0.07 1.38 0.42 0.95 0.00 0.00 175.26 178.39 1hag s ILE 24 N -2.41 2.55 0.00 1.83 -1.09 -1.26 -2.04 121.20 118.78 1hag s ILE 24 Ca 0.52 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1hag s ILE 24 Cb -0.10 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1hag s ILE 24 CO 0.32 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1hag n GLY 25 N 1.08 0.16 0.29 6.18 0.00 -1.26 -4.91 105.19 106.73 1hag n GLY 25 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 1hag n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hag h MET 26 N 0.41 0.00 -1.68 1.61 -1.53 -1.79 -3.36 114.93 108.58 1hag h MET 26 Ca 0.00 0.00 -0.40 0.00 -3.44 0.00 0.00 59.70 55.86 1hag h MET 26 Cb 0.47 0.00 -0.28 0.00 -0.55 0.00 0.00 31.60 31.24 1hag h MET 26 CO 0.00 0.04 -0.77 0.45 0.14 0.00 0.00 176.91 176.77 1hag n SER 27 N -3.57 -1.75 0.24 1.39 2.88 -1.26 -5.02 113.62 106.53 1hag n SER 27 Ca -0.02 -2.65 0.11 0.00 -1.33 0.00 0.00 58.87 54.97 1hag n SER 27 Cb 0.14 0.47 0.61 0.00 -0.75 0.00 0.00 64.21 64.68 1hag n SER 27 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1hag h PRO 28 N 5.20 0.00 0.00 -1.46 0.13 -1.76 -2.39 132.00 131.72 1hag h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1hag h PRO 28 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1hag h PRO 28 CO 0.23 0.18 -0.21 -2.67 -0.23 0.00 0.00 178.00 175.30 1hag n TRP 29 N -3.56 0.23 -1.69 1.56 2.14 -0.89 -2.36 117.44 112.86 1hag n TRP 29 Ca -0.01 0.07 -0.44 0.00 2.07 0.00 0.00 57.50 59.18 1hag n TRP 29 Cb 0.32 -0.53 -0.04 0.00 -0.81 0.00 0.00 31.31 30.25 1hag n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1hag n GLN 30 N -1.71 2.50 -4.26 -2.67 -0.06 -0.90 -0.04 117.38 110.25 1hag n GLN 30 Ca 0.06 0.91 -0.24 0.00 -2.00 0.00 0.00 57.00 55.72 1hag n GLN 30 Cb 0.37 -2.74 -0.07 0.00 -4.06 0.00 0.00 30.24 23.73 1hag n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1hag s VAL 31 N 1.83 3.53 -0.08 1.69 1.01 0.08 -4.17 120.40 124.29 1hag s VAL 31 Ca 0.80 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1hag s VAL 31 Cb -0.58 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1hag s VAL 31 CO 0.38 -0.27 -0.06 -0.32 0.00 0.00 0.00 175.10 174.83 1hag s MET 32 N -3.37 1.23 -0.12 2.72 1.75 -0.86 -3.40 119.30 117.25 1hag s MET 32 Ca 0.29 -0.17 -0.16 0.00 -1.25 0.00 0.00 55.69 54.41 1hag s MET 32 Cb -0.08 -1.29 -0.05 0.00 2.84 0.00 0.00 34.83 36.25 1hag s MET 32 CO 0.19 -0.20 0.38 -0.51 -0.65 0.00 0.00 175.02 174.24 1hag s LEU 33 N 1.46 4.30 -0.07 4.11 1.43 -0.19 -1.42 118.68 128.30 1hag s LEU 33 Ca -0.01 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1hag s LEU 33 Cb -0.13 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1hag s LEU 33 CO -0.04 0.10 -0.12 0.12 0.23 0.00 0.00 176.35 176.65 1hag s PHE 34 N 0.25 1.43 -0.23 0.29 5.36 -0.32 -1.40 117.98 123.36 1hag s PHE 34 Ca 0.21 -0.54 -0.20 0.00 -0.96 0.00 0.00 56.93 55.44 1hag s PHE 34 Cb -0.14 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.45 1hag s PHE 34 CO 0.08 -0.29 0.62 0.50 -1.46 0.00 0.00 175.22 174.67 1hag s ARG 35 N 0.75 4.15 0.20 10.12 3.00 0.31 -1.59 118.95 135.88 1hag s ARG 35 Ca -0.13 0.56 -0.10 0.00 -1.00 0.00 0.00 55.73 55.06 1hag s ARG 35 Cb -0.16 -3.62 0.25 0.00 0.00 0.00 0.00 34.95 31.43 1hag s ARG 35 CO 0.03 -0.35 1.74 0.87 0.00 0.00 0.00 175.30 177.59 1hag h LYS 36 N 7.75 0.35 -1.81 5.12 1.57 -1.74 -1.94 116.57 125.87 1hag h LYS 36 Ca -0.29 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1hag h LYS 36 Cb 1.13 -0.08 -0.23 0.00 0.08 0.00 0.00 32.23 33.13 1hag h LYS 36 CO 0.77 0.23 0.13 0.45 -0.57 0.00 0.00 179.45 180.46 1hag s SER 36 N -5.37 -0.81 0.34 0.86 0.15 -1.26 -3.92 113.70 103.69 1hag s SER 36 Ca -0.13 1.27 -0.28 0.00 0.70 0.00 0.00 55.95 57.50 1hag s SER 36 Cb 0.17 1.42 -0.10 0.00 -1.71 0.00 0.00 66.02 65.79 1hag s SER 36 CO 0.74 -0.20 1.33 -2.16 1.20 0.00 0.00 173.24 174.15 1hag s PRO 37 N 1.69 4.31 -0.37 5.44 0.04 -1.26 -5.01 135.00 139.83 1hag s PRO 37 Ca -0.09 2.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 1hag s PRO 37 Cb -0.05 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 1hag s PRO 37 CO -0.18 -0.24 2.18 -0.65 0.04 0.00 0.00 177.00 178.15 1hag s GLN 38 N -1.85 2.75 0.05 4.56 -0.21 -1.23 -4.66 119.66 119.06 1hag s GLN 38 Ca 0.50 1.56 -0.01 0.00 0.02 0.00 0.00 55.36 57.43 1hag s GLN 38 Cb -0.40 -4.42 -0.03 0.00 1.00 0.00 0.00 33.01 29.15 1hag s GLN 38 CO 0.54 -2.54 -0.02 -1.83 -2.12 0.00 0.00 175.29 169.32 1hag s GLU 39 N 6.98 0.56 -0.64 2.91 -1.05 -0.73 -4.93 118.70 121.80 1hag s GLU 39 Ca 0.93 -1.08 -0.27 0.00 -0.15 0.00 0.00 54.97 54.40 1hag s GLU 39 Cb -0.24 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.69 1hag s GLU 39 CO 0.30 -0.11 1.17 -1.17 0.95 0.00 0.00 175.26 176.41 1hag s LEU 40 N -2.61 3.50 0.00 1.83 2.96 -1.26 0.11 118.68 123.22 1hag s LEU 40 Ca 0.02 -0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1hag s LEU 40 Cb 0.04 -2.84 -0.21 0.00 0.50 0.00 0.00 46.19 43.68 1hag s LEU 40 CO -0.08 -1.58 1.14 -0.07 -1.32 0.00 0.00 176.35 174.43 1hag h LEU 41 N 12.17 0.45 0.00 -0.68 4.07 -1.59 -3.48 115.31 126.25 1hag h LEU 41 Ca -0.27 -0.71 0.18 0.00 0.08 0.00 0.00 57.88 57.17 1hag h LEU 41 Cb 1.06 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 1hag h LEU 41 CO 1.21 1.09 0.61 0.00 -1.08 0.00 0.00 178.44 180.27 1hag s GLY 43 N -3.44 1.59 0.03 0.00 0.00 0.33 -1.02 107.32 104.81 1hag s GLY 43 Ca 0.23 -1.02 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 1hag s GLY 43 CO 0.04 -0.82 1.02 0.00 0.00 0.00 0.00 173.10 173.34 1hag s ALA 44 N -2.63 -1.86 0.02 3.20 0.00 -1.22 -3.80 121.76 115.47 1hag s ALA 44 Ca 0.50 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1hag s ALA 44 Cb -0.10 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1hag s ALA 44 CO 0.39 -0.86 -0.05 -1.54 0.00 0.00 0.00 175.76 173.70 1hag s SER 45 N -2.68 0.51 -0.20 0.00 1.04 -0.30 -0.74 113.70 111.32 1hag s SER 45 Ca 0.10 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.95 1hag s SER 45 Cb -0.00 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1hag s SER 45 CO -0.04 -0.16 0.60 -0.22 0.98 0.00 0.00 173.24 174.41 1hag s LEU 46 N -1.06 4.14 0.00 2.42 0.20 0.95 -1.65 118.68 123.68 1hag s LEU 46 Ca -0.08 0.79 0.00 0.00 0.69 0.00 0.00 54.13 55.52 1hag s LEU 46 Cb -0.07 -2.84 0.00 0.00 -0.43 0.00 0.00 46.19 42.85 1hag s LEU 46 CO -0.00 -0.25 0.00 2.30 -0.29 0.00 0.00 176.35 178.11 1hag n ILE 47 N 4.67 0.00 -2.77 6.68 -5.35 -1.06 -0.67 119.36 120.87 1hag n ILE 47 Ca -0.02 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1hag n ILE 47 Cb 0.50 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 1hag n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1hag n SER 48 N -0.93 0.00 -0.17 7.28 2.88 -1.20 -4.62 113.62 116.86 1hag n SER 48 Ca 0.00 -0.25 0.06 0.00 -1.33 0.00 0.00 58.87 57.35 1hag n SER 48 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1hag n SER 48 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1hag n ASP 49 N -0.52 1.08 0.00 -3.46 5.75 -1.26 -4.48 116.55 113.66 1hag n ASP 49 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1hag n ASP 49 Cb 0.00 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1hag n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1hag n ARG 50 N -0.68 3.09 -4.82 0.11 0.63 -1.26 0.18 116.66 113.92 1hag n ARG 50 Ca 0.04 -0.12 -0.26 0.00 -0.92 0.00 0.00 57.85 56.60 1hag n ARG 50 Cb 0.25 -0.52 -0.16 0.00 0.45 0.00 0.00 32.46 32.48 1hag n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1hag s TRP 51 N -0.47 1.70 -0.01 -0.14 0.52 -1.26 0.85 118.94 120.13 1hag s TRP 51 Ca 0.00 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.67 1hag s TRP 51 Cb 0.00 -1.16 -0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1hag s TRP 51 CO 0.00 -0.19 -0.18 0.08 0.02 0.00 0.00 176.95 176.68 1hag s VAL 52 N 0.11 1.44 -0.20 4.03 1.01 0.14 -2.56 120.40 124.37 1hag s VAL 52 Ca -0.05 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1hag s VAL 52 Cb -0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1hag s VAL 52 CO 0.03 0.37 0.04 -0.22 0.00 0.00 0.00 175.10 175.31 1hag s LEU 53 N -0.53 3.56 0.00 3.92 2.96 -0.66 0.84 118.68 128.77 1hag s LEU 53 Ca 0.07 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1hag s LEU 53 Cb -0.07 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1hag s LEU 53 CO -0.00 0.11 0.21 1.07 -1.32 0.00 0.00 176.35 176.41 1hag n THR 54 N 3.95 0.00 -3.11 3.68 5.66 -0.77 -1.15 114.28 122.54 1hag n THR 54 Ca -0.17 -1.44 -0.39 0.00 -3.05 0.00 0.00 64.05 59.00 1hag n THR 54 Cb 0.52 0.75 -0.05 0.00 -1.55 0.00 0.00 70.33 70.00 1hag n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hag s ALA 55 N -2.74 3.38 0.54 1.79 0.00 -1.26 -1.45 121.76 122.02 1hag s ALA 55 Ca 0.24 0.04 0.28 0.00 0.00 0.00 0.00 51.96 52.52 1hag s ALA 55 Cb 0.01 -2.88 1.44 0.00 0.00 0.00 0.00 23.12 21.69 1hag s ALA 55 CO 0.17 -0.10 1.94 0.00 0.00 0.00 0.00 175.76 177.77 1hag h ALA 56 N 6.79 2.62 0.00 0.00 0.00 -1.72 -2.41 119.26 124.54 1hag h ALA 56 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hag h ALA 56 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1hag h ALA 56 CO 0.76 -0.85 0.00 1.12 0.00 0.00 0.00 179.25 180.28 1hag h HIS 57 N 0.00 0.00 0.00 0.00 2.07 -1.91 -2.06 115.15 113.25 1hag h HIS 57 Ca 0.32 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.75 1hag h HIS 57 Cb 1.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.29 1hag h HIS 57 CO 0.00 0.00 -0.42 0.00 -3.07 0.00 0.00 177.93 174.44 1hag n LEU 59 N -3.83 0.64 -3.73 0.00 4.77 -0.94 -4.92 117.00 108.99 1hag n LEU 59 Ca -0.01 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 1hag n LEU 59 Cb 0.48 0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.51 1hag n LEU 59 CO 0.38 0.39 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.25 1hag s LEU 60 N -5.08 0.78 0.18 2.23 2.96 -0.82 0.52 118.68 119.44 1hag s LEU 60 Ca -0.09 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.20 1hag s LEU 60 Cb 0.04 -0.47 0.04 0.00 0.50 0.00 0.00 46.19 46.30 1hag s LEU 60 CO 0.45 -0.26 0.52 -0.47 -1.32 0.00 0.00 176.35 175.28 1hag s TYR 60 N 1.95 -0.23 0.00 5.38 5.04 0.11 -4.32 117.35 125.28 1hag s TYR 60 Ca 0.02 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 1hag s TYR 60 Cb -0.15 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.58 1hag s TYR 60 CO -0.07 -0.87 0.00 -2.30 -1.34 0.00 0.00 175.55 170.97 1hag n PRO 60 N -0.33 0.00 -0.13 4.97 -0.02 -1.26 -2.56 135.00 135.67 1hag n PRO 60 Ca -0.13 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.40 1hag n PRO 60 Cb 0.63 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.22 1hag n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1hag n TRP 60 N 0.00 0.29 -0.98 6.00 8.01 -1.26 -4.98 117.44 124.53 1hag n TRP 60 Ca 0.00 -0.60 0.00 0.00 -1.31 0.00 0.00 57.50 55.59 1hag n TRP 60 Cb 0.00 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.22 1hag n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1hag n ASP 60 N -0.20 -4.73 -4.62 -0.99 8.00 -1.06 -4.94 116.55 108.02 1hag n ASP 60 Ca 0.09 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.16 1hag n ASP 60 Cb 0.44 -2.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.01 1hag n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1hag s LYS 60 N -1.32 3.61 -0.51 -1.24 2.20 -1.14 -4.96 119.74 116.38 1hag s LYS 60 Ca 0.00 1.56 0.07 0.00 -0.36 0.00 0.00 55.97 57.23 1hag s LYS 60 Cb 0.00 -4.10 0.20 0.00 -1.51 0.00 0.00 37.83 32.42 1hag s LYS 60 CO 0.00 -1.52 0.75 -1.71 -0.36 0.00 0.00 175.35 172.51 1hag n ASN 60 N 9.17 -3.36 -4.80 1.43 2.85 -1.18 0.08 115.26 119.45 1hag n ASN 60 Ca 0.20 -2.98 -0.35 0.00 -0.11 0.00 0.00 54.58 51.34 1hag n ASN 60 Cb 0.46 1.76 -0.07 0.00 1.24 0.00 0.00 39.78 43.17 1hag n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hag s PHE 60 N 0.84 3.54 0.29 1.20 0.08 0.18 -5.01 117.98 119.09 1hag s PHE 60 Ca 0.30 1.71 0.10 0.00 0.12 0.00 0.00 56.93 59.17 1hag s PHE 60 Cb 0.04 -2.90 -0.05 0.00 -0.57 0.00 0.00 43.02 39.54 1hag s PHE 60 CO -0.08 0.07 -0.16 0.99 -0.10 0.00 0.00 175.22 175.95 1hag s THR 60 N -1.84 2.27 0.07 0.64 2.01 -1.26 -4.89 115.64 112.64 1hag s THR 60 Ca 0.55 -2.31 -0.14 0.00 0.31 0.00 0.00 61.69 60.09 1hag s THR 60 Cb -0.15 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1hag s THR 60 CO 0.20 -0.36 0.99 -0.62 -0.69 0.00 0.00 174.62 174.13 1hag n GLU 61 N -0.63 -0.20 0.00 4.92 -0.58 -1.26 0.70 120.64 123.58 1hag n GLU 61 Ca -0.05 0.98 0.03 0.00 -0.42 0.00 0.00 57.16 57.69 1hag n GLU 61 Cb 0.61 -1.44 0.17 0.00 -0.57 0.00 0.00 31.44 30.21 1hag n GLU 61 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1hag n ASN 62 N -4.11 0.00 0.05 1.62 4.13 -1.26 -2.99 115.26 112.70 1hag n ASN 62 Ca 0.01 -0.02 0.11 0.00 1.68 0.00 0.00 54.58 56.36 1hag n ASN 62 Cb 0.12 -0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.19 1hag n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1hag n ASP 63 N -1.13 0.54 -4.51 6.41 8.00 0.22 -4.94 116.55 121.14 1hag n ASP 63 Ca 0.04 0.05 -0.25 0.00 0.71 0.00 0.00 54.79 55.34 1hag n ASP 63 Cb 0.03 0.99 -0.10 0.00 -0.02 0.00 0.00 41.12 42.02 1hag n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hag s LEU 64 N -4.63 2.43 0.04 0.64 1.43 -1.16 -2.19 118.68 115.24 1hag s LEU 64 Ca -0.01 -1.43 0.01 0.00 -1.03 0.00 0.00 54.13 51.67 1hag s LEU 64 Cb 0.12 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1hag s LEU 64 CO 0.83 -0.61 -0.06 -0.76 0.23 0.00 0.00 176.35 175.98 1hag s LEU 65 N -3.62 2.30 0.14 1.79 1.02 -0.62 -4.44 118.68 115.25 1hag s LEU 65 Ca 0.32 -0.63 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1hag s LEU 65 Cb 0.08 -0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.21 1hag s LEU 65 CO 0.15 -0.30 0.14 0.68 0.02 0.00 0.00 176.35 177.04 1hag s VAL 66 N -1.89 4.57 -0.26 -1.59 -7.23 -0.39 -1.17 120.40 112.43 1hag s VAL 66 Ca -0.08 -0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 59.09 1hag s VAL 66 Cb -0.07 -3.31 0.08 0.00 0.56 0.00 0.00 36.38 33.65 1hag s VAL 66 CO -0.02 -0.06 0.08 -0.13 -0.31 0.00 0.00 175.10 174.67 1hag s ARG 67 N -2.96 0.61 -0.02 4.82 0.52 -0.51 -1.24 118.95 120.17 1hag s ARG 67 Ca 0.31 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 1hag s ARG 67 Cb -0.11 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 1hag s ARG 67 CO 0.24 -0.85 0.10 0.42 0.02 0.00 0.00 175.30 175.22 1hag s ILE 68 N 1.79 4.88 0.00 1.52 -1.09 -0.36 -2.03 121.20 125.91 1hag s ILE 68 Ca 0.05 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1hag s ILE 68 Cb -0.17 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1hag s ILE 68 CO -0.20 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 1hag n GLY 69 N 1.29 0.77 3.86 6.18 0.00 -1.26 -0.70 105.19 115.33 1hag n GLY 69 Ca -0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1hag n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hag s LYS 70 N -0.66 3.89 0.02 1.61 1.02 -1.26 -4.22 119.74 120.13 1hag s LYS 70 Ca 0.00 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.39 1hag s LYS 70 Cb 0.00 -2.67 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1hag s LYS 70 CO 0.00 0.32 -0.00 1.58 -0.92 0.00 0.00 175.35 176.33 1hag n HIS 71 N 0.04 0.00 -1.88 3.18 -0.00 -1.26 -4.93 115.22 110.38 1hag n HIS 71 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.32 1hag n HIS 71 Cb 0.52 -0.01 0.01 0.00 -0.00 0.00 0.00 29.99 30.52 1hag n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1hag s SER 72 N -5.17 5.91 0.10 0.26 0.15 -1.26 -1.49 113.70 112.20 1hag s SER 72 Ca -0.00 2.81 -0.08 0.00 0.70 0.00 0.00 55.95 59.37 1hag s SER 72 Cb 0.00 -2.65 -0.18 0.00 -1.71 0.00 0.00 66.02 61.49 1hag s SER 72 CO 0.00 -1.14 1.23 -0.09 1.20 0.00 0.00 173.24 174.45 1hag h ARG 73 N 2.29 0.50 0.00 5.44 2.43 0.98 -3.41 114.38 122.60 1hag h ARG 73 Ca -0.50 -0.58 -0.00 0.00 -0.81 0.00 0.00 59.98 58.08 1hag h ARG 73 Cb 1.26 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1hag h ARG 73 CO 0.61 1.22 -1.41 0.25 -1.51 0.00 0.00 179.97 179.12 1hag n THR 74 N -3.76 0.00 -2.42 0.20 -2.24 -1.26 -5.01 114.28 99.80 1hag n THR 74 Ca -0.09 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1hag n THR 74 Cb 0.89 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1hag n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hag s ARG 75 N -2.62 4.58 0.27 -0.78 1.81 -1.26 -4.99 118.95 115.95 1hag s ARG 75 Ca -0.03 1.86 -0.29 0.00 -1.72 0.00 0.00 55.73 55.54 1hag s ARG 75 Cb 0.06 -3.19 -0.09 0.00 -0.45 0.00 0.00 34.95 31.27 1hag s ARG 75 CO 0.37 0.10 1.24 -0.47 -0.68 0.00 0.00 175.30 175.87 1hag s TYR 76 N -0.89 3.29 -0.92 -0.53 5.04 -1.26 -4.92 117.35 117.16 1hag s TYR 76 Ca 0.47 1.44 -0.07 0.00 -2.44 0.00 0.00 57.07 56.47 1hag s TYR 76 Cb -0.33 -3.53 0.23 0.00 0.35 0.00 0.00 41.96 38.69 1hag s TYR 76 CO 0.41 -1.44 0.85 -1.21 -1.34 0.00 0.00 175.55 172.82 1hag s GLU 77 N -1.08 3.59 -0.00 4.97 2.02 -1.26 -5.04 118.70 121.89 1hag s GLU 77 Ca 0.50 -2.99 -0.38 0.00 0.02 0.00 0.00 54.97 52.12 1hag s GLU 77 Cb -0.36 -4.25 -0.17 0.00 0.10 0.00 0.00 34.13 29.45 1hag s GLU 77 CO 0.44 -1.25 1.35 -2.13 0.02 0.00 0.00 175.26 173.68 1hag n ARG 77 N 2.97 0.85 -0.96 1.61 0.63 -1.26 -1.82 116.66 118.67 1hag n ARG 77 Ca 0.19 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1hag n ARG 77 Cb 0.40 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1hag n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1hag n ASN 78 N 2.73 -2.14 0.04 6.15 5.03 -1.26 -4.79 115.26 121.02 1hag n ASN 78 Ca 0.20 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1hag n ASN 78 Cb 0.15 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 1hag n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1hag n ILE 79 N -2.49 0.61 -1.46 2.41 5.41 -0.76 -5.08 119.36 118.00 1hag n ILE 79 Ca 0.00 0.20 -0.31 0.00 1.00 0.00 0.00 62.75 63.64 1hag n ILE 79 Cb 0.06 -1.15 0.06 0.00 -0.71 0.00 0.00 39.64 37.90 1hag n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1hag s GLU 80 N -1.62 2.69 -0.04 0.38 -1.05 -0.87 -4.75 118.70 113.44 1hag s GLU 80 Ca 0.00 1.03 0.01 0.00 -0.15 0.00 0.00 54.97 55.85 1hag s GLU 80 Cb 0.00 -1.96 0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1hag s GLU 80 CO 0.00 -1.29 -0.02 0.15 0.95 0.00 0.00 175.26 175.04 1hag s LYS 81 N -5.00 0.60 -0.26 -4.83 3.01 0.12 -4.90 119.74 108.49 1hag s LYS 81 Ca 0.59 -0.02 -0.07 0.00 -1.01 0.00 0.00 55.97 55.46 1hag s LYS 81 Cb -0.15 -0.70 -0.02 0.00 -1.01 0.00 0.00 37.83 35.95 1hag s LYS 81 CO 0.55 -0.11 0.08 0.42 0.51 0.00 0.00 175.35 176.80 1hag s ILE 82 N 1.02 4.29 0.27 2.17 1.01 -1.26 -1.22 121.20 127.48 1hag s ILE 82 Ca -0.10 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.36 1hag s ILE 82 Cb -0.14 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1hag s ILE 82 CO -0.01 0.27 -0.12 -0.94 0.00 0.00 0.00 174.94 174.14 1hag s SER 83 N 1.60 3.04 0.24 3.58 1.04 -0.37 -4.96 113.70 117.87 1hag s SER 83 Ca 0.06 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 1hag s SER 83 Cb -0.16 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 1hag s SER 83 CO 0.04 -0.18 0.49 -0.04 0.98 0.00 0.00 173.24 174.53 1hag s MET 84 N -3.63 3.61 -0.09 4.02 -1.94 -1.26 -1.27 119.30 118.74 1hag s MET 84 Ca 0.28 -0.08 -0.08 0.00 -1.71 0.00 0.00 55.69 54.10 1hag s MET 84 Cb 0.00 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 1hag s MET 84 CO 0.12 0.30 0.18 -0.51 -0.01 0.00 0.00 175.02 175.11 1hag s LEU 85 N -3.32 4.40 -0.15 -0.03 1.02 -1.26 0.78 118.68 120.12 1hag s LEU 85 Ca 0.42 0.53 0.10 0.00 0.02 0.00 0.00 54.13 55.20 1hag s LEU 85 Cb -0.11 -2.20 -0.23 0.00 0.02 0.00 0.00 46.19 43.67 1hag s LEU 85 CO 0.28 0.38 0.26 1.21 0.02 0.00 0.00 176.35 178.51 1hag n GLU 86 N 1.86 0.68 -3.60 1.70 2.13 -0.72 -4.69 120.64 117.99 1hag n GLU 86 Ca -0.18 0.16 -0.10 0.00 0.66 0.00 0.00 57.16 57.70 1hag n GLU 86 Cb 0.54 -1.64 -0.06 0.00 0.27 0.00 0.00 31.44 30.55 1hag n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1hag s LYS 87 N -2.54 0.57 -0.07 5.31 -0.14 -1.24 -4.92 119.74 116.71 1hag s LYS 87 Ca -0.14 0.31 0.05 0.00 -1.36 0.00 0.00 55.97 54.82 1hag s LYS 87 Cb 0.07 0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 36.48 1hag s LYS 87 CO 0.78 -0.14 -0.22 0.42 -0.76 0.00 0.00 175.35 175.43 1hag s ILE 88 N -0.62 2.35 -0.23 2.17 1.01 -1.26 -1.89 121.20 122.73 1hag s ILE 88 Ca -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1hag s ILE 88 Cb -0.02 -1.89 0.06 0.00 0.01 0.00 0.00 42.46 40.62 1hag s ILE 88 CO -0.01 0.57 -0.05 -0.31 0.00 0.00 0.00 174.94 175.14 1hag s TYR 89 N -0.11 2.31 0.08 3.97 2.02 0.16 -4.99 117.35 120.79 1hag s TYR 89 Ca -0.04 -1.70 -0.05 0.00 -0.37 0.00 0.00 57.07 54.90 1hag s TYR 89 Cb -0.14 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1hag s TYR 89 CO 0.04 -0.76 0.33 0.42 -1.57 0.00 0.00 175.55 174.00 1hag s ILE 90 N 1.42 5.22 0.38 2.71 -1.09 -1.26 -0.66 121.20 127.93 1hag s ILE 90 Ca -0.06 0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.18 1hag s ILE 90 Cb -0.19 -3.61 -0.10 0.00 -1.58 0.00 0.00 42.46 36.99 1hag s ILE 90 CO -0.06 0.19 1.38 -2.28 -1.23 0.00 0.00 174.94 172.93 1hag s HIS 91 N -1.49 2.76 0.45 3.97 5.65 -1.02 -4.86 115.29 120.74 1hag s HIS 91 Ca 0.35 1.32 0.11 0.00 0.25 0.00 0.00 55.06 57.09 1hag s HIS 91 Cb -0.13 -3.81 1.01 0.00 -1.18 0.00 0.00 32.58 28.46 1hag s HIS 91 CO 0.21 -2.42 2.07 -1.00 -0.65 0.00 0.00 174.74 172.96 1hag h PRO 92 N 2.90 0.29 -0.85 2.88 0.13 -1.94 -2.94 132.00 132.47 1hag h PRO 92 Ca -0.50 -0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.14 1hag h PRO 92 Cb 1.24 -0.06 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 1hag h PRO 92 CO 0.64 0.22 0.48 0.54 -0.23 0.00 0.00 178.00 179.65 1hag n ARG 93 N -4.47 2.26 -2.58 0.86 1.74 -1.26 -4.96 116.66 108.25 1hag n ARG 93 Ca 0.00 -3.13 -0.41 0.00 -0.77 0.00 0.00 57.85 53.54 1hag n ARG 93 Cb 0.10 -2.12 -0.04 0.00 -1.02 0.00 0.00 32.46 29.38 1hag n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1hag s TYR 94 N -3.38 3.63 -0.89 -1.55 5.04 -1.12 -4.64 117.35 114.45 1hag s TYR 94 Ca 0.55 1.61 -0.11 0.00 -2.44 0.00 0.00 57.07 56.68 1hag s TYR 94 Cb 0.47 -3.22 0.23 0.00 0.35 0.00 0.00 41.96 39.79 1hag s TYR 94 CO 0.06 -0.43 0.83 1.21 -1.34 0.00 0.00 175.55 175.89 1hag s ASN 95 N 0.36 6.73 0.06 4.32 3.84 0.04 -4.87 114.94 125.41 1hag s ASN 95 Ca 0.51 -3.02 -0.09 0.00 0.21 0.00 0.00 52.86 50.47 1hag s ASN 95 Cb -0.26 -2.16 -0.31 0.00 -0.55 0.00 0.00 41.25 37.97 1hag s ASN 95 CO 0.31 -0.45 1.09 4.11 -2.79 0.00 0.00 177.10 179.37 1hag h TRP 96 N 7.29 0.68 -0.56 0.43 5.08 -1.94 1.54 115.95 128.46 1hag h TRP 96 Ca 0.12 -0.49 0.11 0.00 1.08 0.00 0.00 58.89 59.71 1hag h TRP 96 Cb 0.97 -0.03 -0.11 0.00 -3.00 0.00 0.00 29.16 26.99 1hag h TRP 96 CO 0.91 1.39 -0.23 0.00 -1.28 0.00 0.00 178.44 179.23 1hag h ARG 97 N 0.10 -0.09 0.00 0.12 3.08 -2.00 -3.39 114.38 112.20 1hag h ARG 97 Ca -0.18 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1hag h ARG 97 Cb 2.05 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1hag h ARG 97 CO 0.23 -0.06 0.00 -1.91 -1.07 0.00 0.00 179.97 177.16 1hag n GLU 97 N -5.43 0.00 -0.12 0.04 2.13 -1.25 -4.94 120.64 111.07 1hag n GLU 97 Ca 0.05 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.90 1hag n GLU 97 Cb 0.33 -0.37 0.04 0.00 0.27 0.00 0.00 31.44 31.71 1hag n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1hag n ASN 98 N -2.42 1.24 -2.14 4.31 6.94 -1.23 -4.98 115.26 116.98 1hag n ASN 98 Ca 0.00 -2.08 -0.15 0.00 -0.02 0.00 0.00 54.58 52.33 1hag n ASN 98 Cb 0.00 -0.16 0.03 0.00 -2.36 0.00 0.00 39.78 37.29 1hag n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1hag n LEU 99 N -0.54 -2.37 -4.75 -4.53 4.77 0.52 -4.97 117.00 105.13 1hag n LEU 99 Ca 0.04 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.41 1hag n LEU 99 Cb 0.51 -2.16 -0.04 0.00 -2.33 0.00 0.00 43.42 39.40 1hag n LEU 99 CO 0.00 0.19 0.83 -0.62 -1.33 0.00 0.00 177.39 176.46 1hag s ASP 100 N -2.85 7.18 -1.00 -1.43 2.15 -1.21 -3.60 116.67 115.91 1hag s ASP 100 Ca 0.22 2.24 -0.01 0.00 0.43 0.00 0.00 52.55 55.43 1hag s ASP 100 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1hag s ASP 100 CO 0.28 -0.25 0.84 0.54 -0.17 0.00 0.00 175.17 176.40 1hag n ARG 101 N 1.85 -5.58 -2.86 4.34 1.74 -1.26 -0.78 116.66 114.12 1hag n ARG 101 Ca 0.02 0.68 -0.44 0.00 -0.77 0.00 0.00 57.85 57.34 1hag n ARG 101 Cb 0.45 -5.23 -0.01 0.00 -1.02 0.00 0.00 32.46 26.66 1hag n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1hag s ASP 102 N -3.94 6.94 -0.15 0.55 2.15 -1.24 -4.09 116.67 116.89 1hag s ASP 102 Ca 0.09 -2.69 -0.12 0.00 0.43 0.00 0.00 52.55 50.26 1hag s ASP 102 Cb -0.04 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.18 1hag s ASP 102 CO 0.59 -0.90 0.39 -0.51 -0.17 0.00 0.00 175.17 174.57 1hag s ILE 103 N 2.37 -0.01 0.02 4.11 2.07 -1.26 -4.12 121.20 124.39 1hag s ILE 103 Ca 0.43 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.68 1hag s ILE 103 Cb -0.02 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 1hag s ILE 103 CO -0.00 0.01 0.02 0.00 -1.91 0.00 0.00 174.94 173.06 1hag s ALA 104 N 0.55 0.05 -0.05 1.50 0.00 -0.53 -2.43 121.76 120.85 1hag s ALA 104 Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1hag s ALA 104 Cb -0.04 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1hag s ALA 104 CO -0.03 -0.21 -0.15 -0.51 0.00 0.00 0.00 175.76 174.86 1hag s LEU 105 N -1.67 1.83 -0.05 0.00 1.43 0.17 -1.85 118.68 118.54 1hag s LEU 105 Ca -0.12 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1hag s LEU 105 Cb -0.07 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 1hag s LEU 105 CO -0.02 0.11 -0.20 -0.04 0.23 0.00 0.00 176.35 176.43 1hag s MET 106 N 0.24 2.12 -0.18 1.70 -1.94 0.25 -0.67 119.30 120.82 1hag s MET 106 Ca -0.07 -0.73 -0.06 0.00 -1.71 0.00 0.00 55.69 53.12 1hag s MET 106 Cb -0.12 -1.81 -0.03 0.00 2.01 0.00 0.00 34.83 34.87 1hag s MET 106 CO 0.03 0.29 0.02 -1.59 -0.01 0.00 0.00 175.02 173.76 1hag s LYS 107 N -0.03 3.79 0.64 2.03 -2.85 -0.79 0.25 119.74 122.79 1hag s LYS 107 Ca -0.04 -0.44 -0.15 0.00 -1.00 0.00 0.00 55.97 54.33 1hag s LYS 107 Cb -0.13 -3.09 -0.01 0.00 -2.06 0.00 0.00 37.83 32.54 1hag s LYS 107 CO 0.03 0.19 1.10 -0.51 0.10 0.00 0.00 175.35 176.26 1hag s LEU 108 N 0.55 3.41 0.42 2.77 1.43 0.25 -1.75 118.68 125.75 1hag s LEU 108 Ca 0.00 1.94 0.29 0.00 -1.03 0.00 0.00 54.13 55.34 1hag s LEU 108 Cb -0.14 -4.55 1.12 0.00 0.03 0.00 0.00 46.19 42.66 1hag s LEU 108 CO 0.02 -1.52 1.85 0.11 0.23 0.00 0.00 176.35 177.04 1hag h LYS 109 N 0.10 0.00 -1.62 1.70 1.79 0.10 -3.41 116.57 115.23 1hag h LYS 109 Ca -0.47 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.06 1hag h LYS 109 Cb 1.24 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.63 1hag h LYS 109 CO 0.55 0.00 0.44 0.21 -1.08 0.00 0.00 179.45 179.57 1hag s LYS 110 N -3.48 0.53 0.93 3.15 2.20 -1.26 -4.95 119.74 116.86 1hag s LYS 110 Ca 0.03 0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 56.10 1hag s LYS 110 Cb 0.09 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 1hag s LYS 110 CO 0.50 -0.07 0.14 -2.30 -0.36 0.00 0.00 175.35 173.26 1hag n PRO 111 N 2.18 -0.15 -5.00 4.03 -0.02 -1.26 -4.88 135.00 129.90 1hag n PRO 111 Ca -0.12 -0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 1hag n PRO 111 Cb 0.56 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.24 1hag n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hag s VAL 112 N -2.24 2.05 -0.11 -1.45 0.11 0.49 -4.97 120.40 114.28 1hag s VAL 112 Ca 0.54 -1.27 -0.19 0.00 -2.93 0.00 0.00 61.98 58.12 1hag s VAL 112 Cb -0.23 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1hag s VAL 112 CO 0.70 0.42 0.53 0.00 -3.33 0.00 0.00 175.10 173.42 1hag s ALA 113 N -0.73 3.44 0.66 1.54 0.00 -1.26 -4.74 121.76 120.67 1hag s ALA 113 Ca 0.11 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 1hag s ALA 113 Cb -0.10 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 1hag s ALA 113 CO 0.01 -0.04 1.10 -0.06 0.00 0.00 0.00 175.76 176.77 1hag s PHE 114 N 0.72 2.65 0.00 0.00 0.08 -1.26 -4.94 117.98 115.22 1hag s PHE 114 Ca 0.29 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.88 1hag s PHE 114 Cb -0.16 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 1hag s PHE 114 CO 0.12 -1.65 0.00 -1.13 -0.10 0.00 0.00 175.22 172.46 1hag n SER 115 N -2.45 0.00 0.21 1.36 3.41 0.54 -4.94 113.62 111.76 1hag n SER 115 Ca 0.10 -0.79 0.08 0.00 -0.26 0.00 0.00 58.87 58.00 1hag n SER 115 Cb 0.52 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.94 1hag n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1hag h ASP 116 N 0.00 0.00 0.00 4.04 5.19 -1.98 -3.31 116.42 120.36 1hag h ASP 116 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1hag h ASP 116 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1hag h ASP 116 CO 0.00 0.28 -1.88 -1.22 -3.12 0.00 0.00 179.24 173.30 1hag n TYR 117 N -3.65 0.00 -3.94 4.55 4.01 -1.26 -4.45 117.16 112.42 1hag n TYR 117 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1hag n TYR 117 Cb 0.40 -0.52 -0.14 0.00 -0.31 0.00 0.00 39.34 38.77 1hag n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1hag s ILE 118 N -2.91 2.68 -0.18 -0.72 1.01 -1.25 -4.36 121.20 115.47 1hag s ILE 118 Ca -0.07 -1.97 -0.17 0.00 0.00 0.00 0.00 60.65 58.45 1hag s ILE 118 Cb 0.09 -2.79 0.05 0.00 0.01 0.00 0.00 42.46 39.82 1hag s ILE 118 CO 0.68 -0.44 0.49 -2.28 0.00 0.00 0.00 174.94 173.39 1hag s HIS 119 N 1.07 -0.55 0.59 3.97 2.46 -1.00 -0.34 115.29 121.50 1hag s HIS 119 Ca 0.04 1.32 -0.18 0.00 0.47 0.00 0.00 55.06 56.70 1hag s HIS 119 Cb -0.20 0.19 -0.04 0.00 -0.13 0.00 0.00 32.58 32.40 1hag s HIS 119 CO -0.05 -0.26 1.17 -1.25 -2.47 0.00 0.00 174.74 171.87 1hag s PRO 120 N 0.32 3.05 0.25 2.88 0.04 -1.26 -2.10 135.00 138.17 1hag s PRO 120 Ca -0.00 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.77 1hag s PRO 120 Cb -0.04 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1hag s PRO 120 CO -0.00 -1.11 0.38 0.54 0.04 0.00 0.00 177.00 176.85 1hag s VAL 121 N -1.76 5.24 0.28 -0.36 0.11 0.16 -0.92 120.40 123.14 1hag s VAL 121 Ca 0.74 -0.88 -0.16 0.00 -2.93 0.00 0.00 61.98 58.75 1hag s VAL 121 Cb -0.27 -3.85 -0.09 0.00 -1.53 0.00 0.00 36.38 30.65 1hag s VAL 121 CO 0.32 -0.34 0.72 0.00 -3.33 0.00 0.00 175.10 172.47 1hag s LEU 123 N -2.57 4.43 0.74 0.00 1.43 -1.26 -1.19 118.68 120.25 1hag s LEU 123 Ca 0.49 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1hag s LEU 123 Cb -0.13 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1hag s LEU 123 CO 0.19 0.16 1.08 -2.16 0.23 0.00 0.00 176.35 175.85 1hag s PRO 124 N -0.41 2.60 0.48 1.29 0.04 -1.26 -4.95 135.00 132.79 1hag s PRO 124 Ca 0.29 0.70 0.04 0.00 0.04 0.00 0.00 61.00 62.07 1hag s PRO 124 Cb -0.18 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1hag s PRO 124 CO 0.16 -1.27 0.07 0.16 0.04 0.00 0.00 177.00 176.16 1hag s ASP 125 N -3.99 4.16 0.18 6.66 1.47 -1.26 -4.88 116.67 119.01 1hag s ASP 125 Ca 0.59 -1.46 -0.21 0.00 1.18 0.00 0.00 52.55 52.64 1hag s ASP 125 Cb -0.13 0.14 0.11 0.00 -0.34 0.00 0.00 42.92 42.70 1hag s ASP 125 CO 0.54 -0.74 1.58 -0.09 0.68 0.00 0.00 175.17 177.15 1hag h ARG 126 N 1.40 -0.17 -0.21 2.11 9.65 -1.98 -2.47 114.38 122.71 1hag h ARG 126 Ca -0.43 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.34 1hag h ARG 126 Cb 1.29 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.89 1hag h ARG 126 CO 0.74 -0.11 -0.38 0.93 2.80 0.00 0.00 179.97 183.94 1hag h GLU 127 N -0.17 0.48 -0.50 0.20 3.07 -2.04 -2.10 114.58 113.52 1hag h GLU 127 Ca 0.22 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1hag h GLU 127 Cb 0.55 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1hag h GLU 127 CO -0.67 0.79 0.00 2.41 -1.40 0.00 0.00 179.01 180.14 1hag n THR 128 N -4.04 0.04 0.00 1.13 -1.04 -0.93 -1.03 114.28 108.41 1hag n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1hag n THR 128 Cb 0.49 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1hag n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hag n ALA 129 N 0.36 0.00 0.09 2.41 0.00 -0.79 -1.41 120.51 121.17 1hag n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1hag n ALA 129 Cb 0.10 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.63 1hag n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hag h SER 129 N 0.00 0.22 0.08 0.00 4.64 -1.38 -3.36 113.55 113.75 1hag h SER 129 Ca 0.00 -0.15 -0.26 0.00 -0.47 0.00 0.00 61.79 60.92 1hag h SER 129 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1hag h SER 129 CO 0.00 0.86 -1.34 -0.07 -0.87 0.00 0.00 176.83 175.41 1hag h LEU 129 N 0.12 0.27 -8.20 5.97 3.38 -1.48 -3.42 115.31 111.95 1hag h LEU 129 Ca -0.02 -0.79 -0.19 0.00 0.09 0.00 0.00 57.88 56.96 1hag h LEU 129 Cb 1.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1hag h LEU 129 CO 0.11 1.57 0.53 -0.76 0.09 0.00 0.00 178.44 179.97 1hag s LEU 130 N -7.62 2.98 -0.18 1.67 1.43 -1.26 -4.84 118.68 110.85 1hag s LEU 130 Ca -0.22 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 51.99 1hag s LEU 130 Cb 0.04 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.75 1hag s LEU 130 CO 0.72 -3.33 0.55 -1.10 0.23 0.00 0.00 176.35 173.42 1hag s GLN 131 N 7.58 0.68 0.06 1.70 -0.21 -1.26 -4.93 119.66 123.28 1hag s GLN 131 Ca 0.77 0.67 -0.33 0.00 0.02 0.00 0.00 55.36 56.49 1hag s GLN 131 Cb -0.07 0.33 -0.12 0.00 1.00 0.00 0.00 33.01 34.15 1hag s GLN 131 CO 0.06 -0.10 1.79 0.00 -2.12 0.00 0.00 175.29 174.92 1hag n ALA 132 N 2.54 1.53 0.00 6.09 0.00 -1.26 -1.86 120.51 127.55 1hag n ALA 132 Ca -0.14 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1hag n ALA 132 Cb 0.56 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1hag n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hag n GLY 133 N 4.09 2.79 3.69 0.00 0.00 -1.01 -4.99 105.19 109.76 1hag n GLY 133 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1hag n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hag s TYR 134 N -2.48 3.47 0.20 1.61 1.51 -0.78 -3.71 117.35 117.17 1hag s TYR 134 Ca 0.00 1.15 -0.24 0.00 -1.01 0.00 0.00 57.07 56.97 1hag s TYR 134 Cb 0.00 -2.85 -0.08 0.00 -0.11 0.00 0.00 41.96 38.92 1hag s TYR 134 CO 0.00 -0.07 0.78 0.15 -1.11 0.00 0.00 175.55 175.29 1hag s LYS 135 N 1.48 4.47 0.48 -0.62 1.02 -1.26 -0.56 119.74 124.76 1hag s LYS 135 Ca 0.35 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.44 1hag s LYS 135 Cb -0.17 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1hag s LYS 135 CO 0.14 0.49 0.06 0.20 -0.92 0.00 0.00 175.35 175.31 1hag s GLY 136 N -1.35 2.94 -0.02 -3.33 0.00 -0.37 -4.89 107.32 100.31 1hag s GLY 136 Ca 0.39 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 1hag s GLY 136 CO 0.24 -2.07 0.04 -1.60 0.00 0.00 0.00 173.10 169.71 1hag s ARG 137 N -3.81 -0.00 0.14 2.90 3.52 -0.02 -1.60 118.95 120.09 1hag s ARG 137 Ca 0.10 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.91 1hag s ARG 137 Cb 0.01 -0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 1hag s ARG 137 CO 0.06 -0.10 -0.07 0.08 -0.81 0.00 0.00 175.30 174.46 1hag s VAL 138 N 0.62 3.43 0.03 7.11 1.01 0.79 -1.94 120.40 131.45 1hag s VAL 138 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1hag s VAL 138 Cb -0.07 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1hag s VAL 138 CO -0.02 0.00 -0.04 0.42 0.00 0.00 0.00 175.10 175.47 1hag s THR 139 N -1.46 0.20 0.00 3.92 -4.23 -1.25 -2.40 115.64 110.43 1hag s THR 139 Ca 0.24 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1hag s THR 139 Cb -0.10 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.24 1hag s THR 139 CO 0.15 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1hag n GLY 140 N 1.36 0.01 0.98 3.99 0.00 -0.38 -4.42 105.19 106.74 1hag n GLY 140 Ca -0.22 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.75 1hag n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hag n TRP 141 N -0.62 0.78 -2.40 1.61 8.01 -1.26 -1.02 117.44 122.54 1hag n TRP 141 Ca 0.00 -0.35 -0.09 0.00 -1.31 0.00 0.00 57.50 55.75 1hag n TRP 141 Cb 0.00 -0.08 0.01 0.00 -2.01 0.00 0.00 31.31 29.23 1hag n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1hag n GLY 142 N 1.07 0.12 0.00 6.99 0.00 -1.13 -4.35 105.19 107.89 1hag n GLY 142 Ca 0.16 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1hag n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hag n ASN 143 N 0.16 0.00 0.01 1.61 2.85 -0.98 -1.73 115.26 117.18 1hag n ASN 143 Ca -0.07 0.09 0.14 0.00 -0.11 0.00 0.00 54.58 54.63 1hag n ASN 143 Cb 0.56 -0.26 0.53 0.00 1.24 0.00 0.00 39.78 41.85 1hag n ASN 143 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1hag n LEU 144 N -1.26 0.16 -4.34 1.20 7.94 -0.99 -3.88 117.00 115.84 1hag n LEU 144 Ca 0.05 0.41 -0.46 0.00 -1.11 0.00 0.00 56.01 54.90 1hag n LEU 144 Cb 0.08 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1hag n LEU 144 CO 0.08 0.01 0.53 -0.54 -1.11 0.00 0.00 177.39 176.36 1hag s LYS 145 N -3.01 3.75 -0.41 1.96 1.02 -0.71 -4.86 119.74 117.49 1hag s LYS 145 Ca 0.13 -2.62 0.06 0.00 0.02 0.00 0.00 55.97 53.56 1hag s LYS 145 Cb 0.18 -4.48 0.43 0.00 -0.52 0.00 0.00 37.83 33.44 1hag s LYS 145 CO 0.57 -1.30 1.12 0.39 -0.92 0.00 0.00 175.35 175.21 1hag n GLU 146 N 3.77 3.33 -0.08 1.68 1.02 -1.25 -5.04 120.64 124.07 1hag n GLU 146 Ca 0.17 -4.38 -0.02 0.00 -0.02 0.00 0.00 57.16 52.90 1hag n GLU 146 Cb 0.45 -2.20 0.02 0.00 -0.02 0.00 0.00 31.44 29.69 1hag n GLU 146 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1hag n THR 147 N -0.50 0.00 0.12 2.62 -2.24 -1.26 -5.05 114.28 107.97 1hag n THR 147 Ca 0.38 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1hag n THR 147 Cb 0.72 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1hag n THR 147 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1hag n TRP 148 N -2.68 -2.49 1.08 4.78 -0.00 -1.26 -4.86 117.44 112.01 1hag n TRP 148 Ca 0.01 0.57 0.11 0.00 -0.00 0.00 0.00 57.50 58.19 1hag n TRP 148 Cb 0.05 1.27 0.56 0.00 -0.00 0.00 0.00 31.31 33.19 1hag n TRP 148 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 1hag n THR 149 N -3.20 0.28 -1.58 5.87 5.66 -1.26 -4.80 114.28 115.25 1hag n THR 149 Ca 0.00 0.07 -0.30 0.00 -3.05 0.00 0.00 64.05 60.77 1hag n THR 149 Cb 0.00 -0.72 0.20 0.00 -1.55 0.00 0.00 70.33 68.26 1hag n THR 149 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hag s ALA 149 N -2.47 1.61 -0.29 1.79 0.00 -1.26 -5.00 121.76 116.15 1hag s ALA 149 Ca 0.23 -1.02 0.20 0.00 0.00 0.00 0.00 51.96 51.37 1hag s ALA 149 Cb 0.15 -2.85 0.48 0.00 0.00 0.00 0.00 23.12 20.89 1hag s ALA 149 CO 0.31 -2.81 1.25 0.27 0.00 0.00 0.00 175.76 174.78 1hag n ASN 149 N -4.11 0.61 -1.24 0.00 0.23 -1.26 -5.06 115.26 104.42 1hag n ASN 149 Ca 0.13 -2.09 -0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1hag n ASN 149 Cb 0.59 -0.11 -0.06 0.00 -2.08 0.00 0.00 39.78 38.13 1hag n ASN 149 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1hag n VAL 149 N -0.89 0.00 -3.96 3.53 0.31 -1.26 -4.85 118.33 111.20 1hag n VAL 149 Ca -0.01 -0.12 -0.27 0.00 -0.01 0.00 0.00 64.34 63.93 1hag n VAL 149 Cb 0.83 -0.02 -0.01 0.00 -0.91 0.00 0.00 33.84 33.72 1hag n VAL 149 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1hag s GLY 149 N 0.35 2.43 -0.80 2.92 0.00 -1.26 -4.58 107.32 106.39 1hag s GLY 149 Ca 0.37 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 1hag s GLY 149 CO 0.15 -1.97 0.24 1.17 0.00 0.00 0.00 173.10 172.70 1hag n LYS 149 N -1.73 -2.44 0.00 2.90 4.81 -1.26 -4.68 118.16 115.76 1hag n LYS 149 Ca -0.03 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1hag n LYS 149 Cb 0.65 -4.75 0.00 0.00 0.02 0.00 0.00 35.03 30.95 1hag n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hag n GLY 150 N -0.79 4.90 2.24 3.14 0.00 -1.26 -5.00 105.19 108.42 1hag n GLY 150 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1hag n GLY 150 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hag n GLN 151 N 0.00 -0.62 -1.30 1.61 1.13 -1.26 -4.71 117.38 112.22 1hag n GLN 151 Ca 0.00 0.62 -0.37 0.00 -1.94 0.00 0.00 57.00 55.31 1hag n GLN 151 Cb 0.00 -0.85 0.04 0.00 0.11 0.00 0.00 30.24 29.54 1hag n GLN 151 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1hag n PRO 152 N 0.43 0.26 -0.05 -1.09 -0.01 -1.26 -4.93 135.00 128.35 1hag n PRO 152 Ca -0.03 0.11 -0.20 0.00 -0.01 0.00 0.00 63.50 63.37 1hag n PRO 152 Cb 0.34 -1.51 -0.13 0.00 -0.01 0.00 0.00 33.50 32.19 1hag n PRO 152 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1hag n SER 153 N 0.96 2.06 -4.55 2.55 2.88 -1.26 -4.81 113.62 111.45 1hag n SER 153 Ca 0.09 0.10 -0.26 0.00 -1.33 0.00 0.00 58.87 57.47 1hag n SER 153 Cb 0.49 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 63.14 1hag n SER 153 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1hag s VAL 154 N -2.54 3.04 0.36 2.46 1.01 -1.26 0.14 120.40 123.62 1hag s VAL 154 Ca -0.27 -1.79 -0.28 0.00 0.00 0.00 0.00 61.98 59.64 1hag s VAL 154 Cb 0.08 -2.52 -0.12 0.00 0.00 0.00 0.00 36.38 33.82 1hag s VAL 154 CO 0.70 -0.16 1.33 -0.11 0.00 0.00 0.00 175.10 176.86 1hag n LEU 155 N -0.06 3.91 -4.70 3.92 7.94 -0.56 -4.84 117.00 122.61 1hag n LEU 155 Ca -0.10 1.20 -0.24 0.00 -1.11 0.00 0.00 56.01 55.76 1hag n LEU 155 Cb 0.56 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 1hag n LEU 155 CO 0.35 -0.36 -0.23 -1.10 -1.11 0.00 0.00 177.39 174.94 1hag s GLN 156 N -1.98 2.28 -0.00 1.96 -1.52 -0.19 -0.42 119.66 119.78 1hag s GLN 156 Ca 0.56 -1.62 0.00 0.00 -1.95 0.00 0.00 55.36 52.35 1hag s GLN 156 Cb -0.54 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1hag s GLN 156 CO 0.62 0.11 0.00 0.54 -0.25 0.00 0.00 175.29 176.32 1hag s VAL 157 N -2.46 0.01 -0.11 1.09 0.11 -0.67 -1.25 120.40 117.12 1hag s VAL 157 Ca 0.37 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.30 1hag s VAL 157 Cb -0.02 -0.03 0.03 0.00 -1.53 0.00 0.00 36.38 34.84 1hag s VAL 157 CO 0.22 0.02 0.37 0.54 -3.33 0.00 0.00 175.10 172.91 1hag s VAL 158 N 0.15 0.01 -0.28 2.04 0.11 -1.01 -2.95 120.40 118.47 1hag s VAL 158 Ca -0.01 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 58.84 1hag s VAL 158 Cb -0.02 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1hag s VAL 158 CO -0.00 -0.06 0.13 0.20 -3.33 0.00 0.00 175.10 172.03 1hag s ASN 159 N -0.20 5.47 0.12 3.54 0.01 -1.26 -0.15 114.94 122.48 1hag s ASN 159 Ca -0.03 -0.34 0.10 0.00 -0.71 0.00 0.00 52.86 51.87 1hag s ASN 159 Cb -0.03 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1hag s ASN 159 CO 0.02 -0.12 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.50 1hag s LEU 160 N 1.63 2.48 0.09 0.60 1.43 -0.62 -4.74 118.68 119.55 1hag s LEU 160 Ca 0.06 -0.67 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 1hag s LEU 160 Cb -0.16 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 1hag s LEU 160 CO 0.06 0.18 0.68 -2.16 0.23 0.00 0.00 176.35 175.34 1hag s PRO 161 N -2.09 4.40 0.48 1.29 0.05 -1.26 -1.23 135.00 136.64 1hag s PRO 161 Ca 0.16 0.95 -0.21 0.00 0.05 0.00 0.00 61.00 61.94 1hag s PRO 161 Cb -0.10 -3.29 -0.07 0.00 0.05 0.00 0.00 34.50 31.09 1hag s PRO 161 CO 0.08 0.51 1.11 0.42 0.05 0.00 0.00 177.00 179.17 1hag s ILE 162 N -0.79 3.36 0.09 0.56 1.01 0.28 -1.31 121.20 124.40 1hag s ILE 162 Ca 0.33 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.98 1hag s ILE 162 Cb -0.21 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1hag s ILE 162 CO 0.22 -0.10 -0.07 -0.69 0.00 0.00 0.00 174.94 174.30 1hag s VAL 163 N -1.72 3.58 0.23 2.92 1.01 -0.81 -2.40 120.40 123.21 1hag s VAL 163 Ca 0.66 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1hag s VAL 163 Cb -0.24 -2.67 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 1hag s VAL 163 CO 0.28 0.14 1.47 -1.61 0.00 0.00 0.00 175.10 175.38 1hag s GLU 164 N -2.16 4.25 0.25 2.72 8.01 -1.26 -4.57 118.70 125.95 1hag s GLU 164 Ca 0.22 2.31 -0.12 0.00 0.01 0.00 0.00 54.97 57.39 1hag s GLU 164 Cb -0.11 -3.12 0.36 0.00 -4.31 0.00 0.00 34.13 26.94 1hag s GLU 164 CO 0.14 -0.47 1.56 -0.09 0.01 0.00 0.00 175.26 176.42 1hag h ARG 165 N 5.46 -0.01 -0.12 1.61 2.43 -1.98 -0.97 114.38 120.79 1hag h ARG 165 Ca -0.45 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1hag h ARG 165 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1hag h ARG 165 CO 0.81 -0.01 0.02 -1.00 -1.51 0.00 0.00 179.97 178.28 1hag h PRO 166 N -0.01 0.20 -0.19 0.20 0.13 -2.00 -0.89 132.00 129.44 1hag h PRO 166 Ca 0.41 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.54 1hag h PRO 166 Cb 0.66 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1hag h PRO 166 CO -0.97 0.39 0.14 0.28 -0.23 0.00 0.00 178.00 177.61 1hag h VAL 167 N -0.03 0.92 0.22 1.56 2.07 -1.76 -2.34 116.25 116.88 1hag h VAL 167 Ca 0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1hag h VAL 167 Cb 0.29 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1hag h VAL 167 CO 0.00 0.01 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 1hag h LYS 169 N -0.84 0.43 -0.41 0.00 1.57 -0.75 -2.66 116.57 113.90 1hag h LYS 169 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hag h LYS 169 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1hag h LYS 169 CO 0.05 0.28 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 1hag n ASP 170 N -5.01 0.41 0.00 0.86 9.92 -0.92 -3.48 116.55 118.33 1hag n ASP 170 Ca 0.18 -1.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.02 1hag n ASP 170 Cb 0.51 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 1hag n ASP 170 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1hag n SER 171 N -0.12 0.19 -4.34 -2.24 3.41 -1.00 -5.04 113.62 104.47 1hag n SER 171 Ca 0.00 -0.55 -0.17 0.00 -0.26 0.00 0.00 58.87 57.89 1hag n SER 171 Cb 0.10 0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1hag n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1hag s THR 172 N -0.28 0.80 -0.58 6.66 -1.32 -1.23 -4.96 115.64 114.74 1hag s THR 172 Ca 0.00 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.56 1hag s THR 172 Cb 0.00 -2.57 -0.05 0.00 -1.51 0.00 0.00 72.50 68.37 1hag s THR 172 CO 0.00 -0.10 0.46 0.54 -2.21 0.00 0.00 174.62 173.30 1hag n ARG 173 N -0.48 3.31 -2.54 7.08 1.74 -1.26 -4.93 116.66 119.58 1hag n ARG 173 Ca -0.02 -0.26 -0.40 0.00 -0.77 0.00 0.00 57.85 56.41 1hag n ARG 173 Cb 0.66 -0.96 -0.05 0.00 -1.02 0.00 0.00 32.46 31.09 1hag n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1hag s ILE 174 N -1.53 3.63 -0.54 0.55 -1.09 -1.26 -4.98 121.20 115.98 1hag s ILE 174 Ca 0.05 1.59 -0.28 0.00 -2.23 0.00 0.00 60.65 59.77 1hag s ILE 174 Cb 0.07 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1hag s ILE 174 CO 0.28 0.34 1.16 -0.60 -1.23 0.00 0.00 174.94 174.89 1hag s ARG 175 N -1.54 3.59 -0.09 2.79 3.52 -1.26 -4.98 118.95 120.98 1hag s ARG 175 Ca 0.46 0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 56.12 1hag s ARG 175 Cb -0.29 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.11 1hag s ARG 175 CO 0.37 -1.55 0.95 -1.50 -0.81 0.00 0.00 175.30 172.77 1hag s ILE 176 N 4.70 4.83 0.53 4.11 1.10 -1.26 -4.89 121.20 130.32 1hag s ILE 176 Ca 0.44 1.94 0.07 0.00 -0.51 0.00 0.00 60.65 62.60 1hag s ILE 176 Cb -0.07 -4.27 0.07 0.00 0.15 0.00 0.00 42.46 38.34 1hag s ILE 176 CO 0.28 0.06 0.57 0.35 -2.11 0.00 0.00 174.94 174.09 1hag n THR 177 N 4.39 0.00 0.22 4.00 -2.24 -1.26 -5.03 114.28 114.36 1hag n THR 177 Ca 0.07 -1.94 0.10 0.00 -2.27 0.00 0.00 64.05 60.01 1hag n THR 177 Cb 0.49 -0.30 0.43 0.00 -2.10 0.00 0.00 70.33 68.86 1hag n THR 177 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1hag h ASP 178 N 0.35 0.00 0.00 3.42 3.32 -2.02 -3.14 116.42 118.34 1hag h ASP 178 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1hag h ASP 178 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1hag h ASP 178 CO 0.44 0.24 0.00 0.59 -1.72 0.00 0.00 179.24 178.79 1hag n ASN 179 N -3.38 2.69 -3.72 6.45 3.02 -1.26 -4.89 115.26 114.16 1hag n ASN 179 Ca 0.00 -1.92 -0.12 0.00 -0.03 0.00 0.00 54.58 52.51 1hag n ASN 179 Cb 0.45 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 1hag n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1hag s MET 180 N -0.06 0.87 0.20 3.52 -1.94 -1.19 -2.76 119.30 117.94 1hag s MET 180 Ca 0.00 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.44 1hag s MET 180 Cb 0.00 0.38 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 1hag s MET 180 CO 0.00 -0.29 0.18 -0.59 -0.01 0.00 0.00 175.02 174.31 1hag s PHE 181 N -2.73 1.01 0.06 -0.03 -0.71 -0.49 -4.83 117.98 110.25 1hag s PHE 181 Ca -0.04 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.63 1hag s PHE 181 Cb -0.00 -0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1hag s PHE 181 CO -0.04 -0.69 -0.10 0.00 -1.34 0.00 0.00 175.22 173.05 1hag s ALA 183 N -1.47 -0.27 0.00 0.00 0.00 -1.02 -1.93 121.76 117.09 1hag s ALA 183 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1hag s ALA 183 Cb -0.09 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1hag s ALA 183 CO 0.01 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1hag n GLY 184 N 0.94 3.95 3.86 0.00 0.00 -0.43 -2.40 105.19 111.12 1hag n GLY 184 Ca -0.20 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1hag n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hag s TYR 184 N -2.00 3.56 -0.15 1.61 1.51 -1.26 -4.48 117.35 116.15 1hag s TYR 184 Ca 0.00 1.30 -0.29 0.00 -1.01 0.00 0.00 57.07 57.07 1hag s TYR 184 Cb 0.00 -2.70 -0.05 0.00 -0.11 0.00 0.00 41.96 39.10 1hag s TYR 184 CO 0.00 -0.54 1.89 -1.59 -1.11 0.00 0.00 175.55 174.21 1hag s LYS 185 N -4.75 3.69 -0.23 -0.62 0.00 -1.26 -4.85 119.74 111.73 1hag s LYS 185 Ca 0.56 2.04 -0.39 0.00 0.00 0.00 0.00 55.97 58.17 1hag s LYS 185 Cb -0.11 -4.17 -0.15 0.00 0.00 0.00 0.00 37.83 33.40 1hag s LYS 185 CO 0.45 -1.44 1.72 -2.30 0.00 0.00 0.00 175.35 173.79 1hag n PRO 186 N 7.95 1.24 -1.12 1.78 -0.02 -1.26 -4.75 135.00 138.81 1hag n PRO 186 Ca 0.22 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1hag n PRO 186 Cb 0.44 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1hag n PRO 186 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1hag n ASP 186 N 5.25 0.00 0.00 2.55 -0.08 -1.26 -5.00 116.55 118.01 1hag n ASP 186 Ca 0.26 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.68 1hag n ASP 186 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1hag n ASP 186 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1hag n GLU 186 N 0.00 0.00 -3.50 -0.67 -0.58 -1.26 -4.41 120.64 110.22 1hag n GLU 186 Ca 0.00 0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.74 1hag n GLU 186 Cb 0.00 -1.36 -0.08 0.00 -0.57 0.00 0.00 31.44 29.44 1hag n GLU 186 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1hag s GLY 186 N -0.71 2.05 -0.54 0.62 0.00 -1.26 -4.96 107.32 102.52 1hag s GLY 186 Ca 0.00 -2.51 0.07 0.00 0.00 0.00 0.00 44.72 42.28 1hag s GLY 186 CO 0.00 1.12 0.90 0.28 0.00 0.00 0.00 173.10 175.40 1hag n LYS 186 N 4.99 2.74 -2.12 2.90 4.01 -1.26 -5.04 118.16 124.38 1hag n LYS 186 Ca -0.09 -4.54 -0.43 0.00 -0.51 0.00 0.00 58.31 52.74 1hag n LYS 186 Cb 0.41 -2.12 -0.03 0.00 -0.51 0.00 0.00 35.03 32.78 1hag n LYS 186 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1hag s ARG 187 N -3.22 3.97 0.00 1.97 0.52 -1.26 -4.71 118.95 116.22 1hag s ARG 187 Ca 0.47 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1hag s ARG 187 Cb 0.29 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1hag s ARG 187 CO -0.12 -1.09 0.00 0.41 0.02 0.00 0.00 175.30 174.52 1hag n GLY 188 N 4.37 3.79 3.06 -3.53 0.00 -1.24 -3.88 105.19 107.76 1hag n GLY 188 Ca 0.18 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 1hag n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hag s ASP 189 N 0.00 1.52 0.34 1.61 -1.08 -1.26 -4.70 116.67 113.10 1hag s ASP 189 Ca 0.00 -0.24 0.03 0.00 -0.52 0.00 0.00 52.55 51.82 1hag s ASP 189 Cb 0.00 -0.34 0.63 0.00 -1.46 0.00 0.00 42.92 41.75 1hag s ASP 189 CO 0.00 0.11 1.96 0.00 0.52 0.00 0.00 175.17 177.76 1hag h ALA 190 N 6.20 1.59 0.00 3.66 0.00 -1.94 -0.74 119.26 128.03 1hag h ALA 190 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1hag h ALA 190 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1hag h ALA 190 CO 0.49 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1hag n GLU 192 N -1.39 0.07 -0.44 0.00 -0.58 -0.28 -3.81 120.64 114.21 1hag n GLU 192 Ca 0.03 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1hag n GLU 192 Cb 0.08 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 1hag n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hag n GLY 193 N 0.44 1.69 3.18 0.62 0.00 -0.97 -3.69 105.19 106.46 1hag n GLY 193 Ca 0.04 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 1hag n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hag s ASP 194 N -1.00 2.31 0.34 1.61 1.01 -1.26 -2.31 116.67 117.37 1hag s ASP 194 Ca 0.00 -0.37 -0.29 0.00 0.71 0.00 0.00 52.55 52.61 1hag s ASP 194 Cb 0.00 -0.43 -0.12 0.00 1.01 0.00 0.00 42.92 43.38 1hag s ASP 194 CO 0.00 0.21 1.44 -0.24 0.21 0.00 0.00 175.17 176.78 1hag n SER 195 N 2.83 3.40 0.00 0.27 2.88 -1.26 -0.56 113.62 121.18 1hag n SER 195 Ca -0.16 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1hag n SER 195 Cb 0.53 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1hag n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hag n GLY 196 N 0.94 1.43 2.91 0.46 0.00 -0.75 -0.51 105.19 109.68 1hag n GLY 196 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1hag n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hag n GLY 197 N -2.00 -1.96 3.80 -0.02 0.00 0.27 -3.46 105.19 101.83 1hag n GLY 197 Ca 0.00 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1hag n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hag s PRO 198 N -5.14 4.34 -0.22 1.61 0.04 -1.26 -1.95 135.00 132.42 1hag s PRO 198 Ca 0.58 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1hag s PRO 198 Cb -0.03 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1hag s PRO 198 CO 0.42 0.61 -0.09 0.12 0.04 0.00 0.00 177.00 178.10 1hag s PHE 199 N -1.11 2.94 0.03 0.56 2.19 -0.40 -3.77 117.98 118.42 1hag s PHE 199 Ca 0.32 -1.28 0.02 0.00 0.33 0.00 0.00 56.93 56.31 1hag s PHE 199 Cb -0.21 -2.05 -0.02 0.00 -1.31 0.00 0.00 43.02 39.44 1hag s PHE 199 CO 0.22 -0.66 -0.07 0.14 1.83 0.00 0.00 175.22 176.67 1hag s VAL 200 N 1.39 0.51 0.12 3.12 -7.23 -0.82 0.20 120.40 117.69 1hag s VAL 200 Ca 0.04 -0.89 0.08 0.00 -1.81 0.00 0.00 61.98 59.41 1hag s VAL 200 Cb -0.15 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1hag s VAL 200 CO -0.06 -0.27 -0.20 -0.04 -0.31 0.00 0.00 175.10 174.21 1hag s MET 201 N -1.25 1.16 -0.35 4.82 -1.94 -0.04 -0.84 119.30 120.87 1hag s MET 201 Ca -0.07 -1.22 -0.17 0.00 -1.71 0.00 0.00 55.69 52.52 1hag s MET 201 Cb -0.08 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.36 1hag s MET 201 CO 0.00 0.31 0.44 0.21 -0.01 0.00 0.00 175.02 175.98 1hag s LYS 202 N -2.10 3.59 0.26 2.03 2.20 -1.26 -1.10 119.74 123.35 1hag s LYS 202 Ca 0.09 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 1hag s LYS 202 Cb -0.09 -3.81 -0.11 0.00 -1.51 0.00 0.00 37.83 32.31 1hag s LYS 202 CO 0.05 -0.59 1.58 0.45 -0.36 0.00 0.00 175.35 176.48 1hag s SER 203 N 1.75 6.45 0.06 1.43 0.15 0.91 -4.91 113.70 119.54 1hag s SER 203 Ca 0.15 2.85 0.27 0.00 0.70 0.00 0.00 55.95 59.92 1hag s SER 203 Cb -0.16 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.45 1hag s SER 203 CO 0.12 -0.87 1.75 -0.81 1.20 0.00 0.00 173.24 174.63 1hag n PRO 204 N 2.67 0.09 -0.07 5.44 -0.04 -1.26 -1.45 135.00 140.38 1hag n PRO 204 Ca 0.10 0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1hag n PRO 204 Cb 0.38 -1.60 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 1hag n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1hag h PHE 204 N 0.00 0.00 0.00 0.54 0.04 -1.96 -3.42 116.94 112.14 1hag h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1hag h PHE 204 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1hag h PHE 204 CO 0.00 0.99 0.00 0.27 -0.60 0.00 0.00 178.31 178.97 1hag n ASN 204 N -4.61 1.61 -0.13 2.17 2.04 -1.26 -5.04 115.26 110.04 1hag n ASN 204 Ca -0.10 -1.67 -0.02 0.00 -0.44 0.00 0.00 54.58 52.35 1hag n ASN 204 Cb 0.48 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.72 1hag n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1hag n ASN 205 N -0.34 -5.54 -4.93 0.53 4.13 -0.53 -4.98 115.26 103.61 1hag n ASN 205 Ca 0.00 0.04 -0.25 0.00 1.68 0.00 0.00 54.58 56.05 1hag n ASN 205 Cb 0.20 -3.19 0.00 0.00 -1.54 0.00 0.00 39.78 35.25 1hag n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1hag s ARG 206 N -1.89 3.36 -0.19 3.52 0.52 -1.25 -4.73 118.95 118.29 1hag s ARG 206 Ca 0.00 -0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.02 1hag s ARG 206 Cb 0.00 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1hag s ARG 206 CO 0.00 -0.16 0.04 -1.58 0.02 0.00 0.00 175.30 173.62 1hag s TRP 207 N -2.60 3.15 0.18 -0.53 0.52 -1.03 0.31 118.94 118.94 1hag s TRP 207 Ca 0.46 -0.14 0.10 0.00 0.02 0.00 0.00 56.10 56.53 1hag s TRP 207 Cb -0.10 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1hag s TRP 207 CO 0.41 -0.02 -0.20 0.71 0.02 0.00 0.00 176.95 177.87 1hag s TYR 208 N 0.68 1.99 -0.45 -1.98 1.51 -0.26 -1.13 117.35 117.71 1hag s TYR 208 Ca 0.02 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.44 1hag s TYR 208 Cb -0.14 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1hag s TYR 208 CO 0.02 0.40 0.69 -1.14 -1.11 0.00 0.00 175.55 174.41 1hag s GLN 209 N -2.79 3.30 0.04 -0.62 0.74 -0.33 -0.86 119.66 119.14 1hag s GLN 209 Ca 0.18 -0.35 0.21 0.00 0.05 0.00 0.00 55.36 55.45 1hag s GLN 209 Cb -0.06 -3.97 -0.20 0.00 1.10 0.00 0.00 33.01 29.88 1hag s GLN 209 CO 0.08 -1.08 0.66 -1.33 -0.55 0.00 0.00 175.29 173.07 1hag n MET 210 N 6.43 0.64 -3.90 1.67 2.81 0.13 -4.44 117.12 120.46 1hag n MET 210 Ca -0.01 -0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.75 1hag n MET 210 Cb 0.48 -1.65 -0.08 0.00 -0.71 0.00 0.00 33.22 31.25 1hag n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1hag s GLY 211 N -4.59 0.14 -0.22 3.03 0.00 -0.84 -1.09 107.32 103.75 1hag s GLY 211 Ca -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 1hag s GLY 211 CO 0.86 -0.72 -0.03 -0.42 0.00 0.00 0.00 173.10 172.78 1hag s ILE 212 N -3.12 3.49 -0.43 0.90 1.01 -0.76 -1.27 121.20 121.02 1hag s ILE 212 Ca -0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 60.65 59.78 1hag s ILE 212 Cb 0.02 -2.59 -0.16 0.00 0.01 0.00 0.00 42.46 39.74 1hag s ILE 212 CO -0.07 0.42 2.10 0.52 0.00 0.00 0.00 174.94 177.92 1hag n VAL 213 N 4.69 0.09 -0.07 2.92 0.31 -0.82 -1.26 118.33 124.19 1hag n VAL 213 Ca -0.18 -0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 63.98 1hag n VAL 213 Cb 0.51 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 32.43 1hag n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1hag n SER 214 N 8.07 1.61 -3.68 4.52 2.88 0.17 -1.80 113.62 125.39 1hag n SER 214 Ca 0.46 0.37 -0.10 0.00 -1.33 0.00 0.00 58.87 58.27 1hag n SER 214 Cb 0.07 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 62.75 1hag n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1hag s TRP 215 N -2.46 -0.15 0.16 0.66 1.48 -1.02 -4.87 118.94 112.75 1hag s TRP 215 Ca -0.21 -0.18 0.09 0.00 -1.06 0.00 0.00 56.10 54.74 1hag s TRP 215 Cb 0.03 0.28 -0.04 0.00 -1.16 0.00 0.00 33.47 32.58 1hag s TRP 215 CO 0.31 -0.77 -0.20 0.20 -4.06 0.00 0.00 176.95 172.44 1hag s GLY 216 N -2.83 1.43 0.23 3.67 0.00 -1.26 -0.67 107.32 107.89 1hag s GLY 216 Ca 0.06 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.36 1hag s GLY 216 CO -0.09 -1.52 0.19 -0.54 0.00 0.00 0.00 173.10 171.14 1hag s GLU 217 N -2.66 2.93 -1.11 2.90 0.41 0.35 -4.57 118.70 116.96 1hag s GLU 217 Ca 0.15 -1.00 -0.14 0.00 -0.41 0.00 0.00 54.97 53.57 1hag s GLU 217 Cb -0.07 -2.59 0.14 0.00 -1.78 0.00 0.00 34.13 29.83 1hag s GLU 217 CO 0.07 0.42 0.35 0.41 -0.49 0.00 0.00 175.26 176.02 1hag n GLY 219 N -0.98 -0.26 3.29 -1.39 0.00 -1.25 -4.21 105.19 100.39 1hag n GLY 219 Ca -0.08 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1hag n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hag n ASP 221 N 9.21 -2.13 0.00 0.00 5.68 -1.26 -5.04 116.55 123.00 1hag n ASP 221 Ca 0.48 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 55.28 1hag n ASP 221 Cb 0.42 2.19 0.00 0.00 -1.14 0.00 0.00 41.12 42.59 1hag n ASP 221 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1hag n ARG 221 N -2.95 0.00 -2.48 0.11 3.00 -1.14 -5.09 116.66 108.11 1hag n ARG 221 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 1hag n ARG 221 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 1hag n ARG 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1hag s ASP 222 N -0.89 6.78 -0.46 6.15 1.01 -1.24 -4.89 116.67 123.12 1hag s ASP 222 Ca 0.00 1.24 -0.10 0.00 0.71 0.00 0.00 52.55 54.40 1hag s ASP 222 Cb 0.00 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.27 1hag s ASP 222 CO 0.00 -0.98 1.53 0.61 0.21 0.00 0.00 175.17 176.54 1hag n GLY 223 N 4.10 -0.20 0.74 0.21 0.00 -1.26 -3.96 105.19 104.82 1hag n GLY 223 Ca 0.14 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1hag n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hag n LYS 224 N 5.84 1.30 -3.80 1.61 5.02 -1.26 -4.50 118.16 122.36 1hag n LYS 224 Ca 0.23 -0.76 -0.21 0.00 -2.02 0.00 0.00 58.31 55.55 1hag n LYS 224 Cb 0.44 0.31 -0.05 0.00 -0.02 0.00 0.00 35.03 35.71 1hag n LYS 224 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1hag n TYR 225 N -0.23 0.48 -3.98 2.13 4.01 -1.26 -4.84 117.16 113.46 1hag n TYR 225 Ca -0.03 -1.81 -0.33 0.00 -0.16 0.00 0.00 57.90 55.57 1hag n TYR 225 Cb 0.13 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 1hag n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1hag s GLY 226 N -2.88 2.11 -0.08 2.72 0.00 -1.01 0.13 107.32 108.32 1hag s GLY 226 Ca 0.07 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1hag s GLY 226 CO 0.05 -0.68 -0.19 -1.36 0.00 0.00 0.00 173.10 170.92 1hag s PHE 227 N -1.26 2.62 0.06 1.90 0.40 0.16 -2.42 117.98 119.44 1hag s PHE 227 Ca 0.25 -0.61 0.07 0.00 -0.60 0.00 0.00 56.93 56.04 1hag s PHE 227 Cb -0.12 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1hag s PHE 227 CO 0.16 -0.15 -0.19 0.71 0.70 0.00 0.00 175.22 176.45 1hag s TYR 228 N -0.08 1.64 0.19 0.36 2.02 0.31 0.43 117.35 122.22 1hag s TYR 228 Ca -0.04 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 55.97 1hag s TYR 228 Cb -0.14 -0.95 -0.09 0.00 -0.40 0.00 0.00 41.96 40.38 1hag s TYR 228 CO 0.04 0.10 1.32 0.99 -1.57 0.00 0.00 175.55 176.43 1hag s THR 229 N -0.92 3.22 -0.85 -0.71 2.01 -0.39 -1.40 115.64 116.60 1hag s THR 229 Ca 0.05 0.99 -0.25 0.00 0.31 0.00 0.00 61.69 62.80 1hag s THR 229 Cb -0.09 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.83 1hag s THR 229 CO 0.02 0.14 1.32 -2.28 -0.69 0.00 0.00 174.62 173.13 1hag s HIS 230 N 0.20 2.44 0.13 4.92 2.46 -1.11 -1.83 115.29 122.50 1hag s HIS 230 Ca 0.57 -0.46 -0.20 0.00 0.47 0.00 0.00 55.06 55.45 1hag s HIS 230 Cb -0.36 -4.62 -0.03 0.00 -0.13 0.00 0.00 32.58 27.44 1hag s HIS 230 CO 0.38 -1.97 1.71 0.28 -2.47 0.00 0.00 174.74 172.67 1hag h VAL 231 N 6.32 0.82 -0.56 0.89 2.07 -1.42 -2.93 116.25 121.44 1hag h VAL 231 Ca -0.07 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1hag h VAL 231 Cb 1.03 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1hag h VAL 231 CO 1.33 0.00 0.15 0.15 0.02 0.00 0.00 177.57 179.22 1hag h PHE 232 N 0.03 0.25 0.00 1.57 3.57 -1.88 -1.17 116.94 119.30 1hag h PHE 232 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1hag h PHE 232 Cb 0.14 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1hag h PHE 232 CO -0.20 0.02 0.00 0.00 -2.23 0.00 0.00 178.31 175.90 1hag h ARG 233 N 0.30 0.00 -0.01 1.11 3.08 -1.90 -2.49 114.38 114.47 1hag h ARG 233 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1hag h ARG 233 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1hag h ARG 233 CO -0.34 0.00 -0.44 1.28 -1.07 0.00 0.00 179.97 179.40 1hag n LEU 234 N -2.93 1.89 -0.14 3.04 4.77 -0.51 -4.64 117.00 118.48 1hag n LEU 234 Ca -0.01 -0.76 0.23 0.00 -0.03 0.00 0.00 56.01 55.44 1hag n LEU 234 Cb 0.18 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.92 1hag n LEU 234 CO 0.22 0.36 1.23 0.50 -1.33 0.00 0.00 177.39 178.37 1hag h LYS 235 N 2.21 0.13 0.00 3.23 3.64 -0.91 -0.71 116.57 124.16 1hag h LYS 235 Ca 0.00 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1hag h LYS 235 Cb 0.69 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1hag h LYS 235 CO 0.00 0.08 -0.57 -0.22 -2.27 0.00 0.00 179.45 176.47 1hag h LYS 236 N 0.13 0.00 0.55 1.90 3.11 -1.82 -0.20 116.57 120.24 1hag h LYS 236 Ca 0.38 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.20 1hag h LYS 236 Cb 1.32 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.55 1hag h LYS 236 CO -0.05 0.57 -0.26 2.35 -2.81 0.00 0.00 179.45 179.25 1hag h TRP 237 N 0.00 -0.68 -0.04 1.91 7.01 -1.48 -2.22 115.95 120.44 1hag h TRP 237 Ca -0.01 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.99 1hag h TRP 237 Cb 1.23 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 28.48 1hag h TRP 237 CO 0.00 -0.40 -0.24 0.82 -2.79 0.00 0.00 178.44 175.83 1hag h ILE 238 N -0.78 0.00 -0.58 2.65 2.04 -1.50 0.29 117.51 119.62 1hag h ILE 238 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1hag h ILE 238 Cb 0.58 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.56 1hag h ILE 238 CO 0.12 0.00 -0.17 1.67 0.00 0.00 0.00 178.15 179.77 1hag n GLN 239 N -3.81 -0.08 0.05 2.37 7.27 -0.09 -0.07 117.38 123.02 1hag n GLN 239 Ca -0.03 0.90 0.04 0.00 0.07 0.00 0.00 57.00 57.99 1hag n GLN 239 Cb 0.17 -1.34 -0.06 0.00 2.41 0.00 0.00 30.24 31.42 1hag n GLN 239 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1hag n LYS 240 N -4.92 0.62 -0.28 3.69 2.85 -0.84 -1.95 118.16 117.33 1hag n LYS 240 Ca 0.08 0.16 -0.06 0.00 -1.05 0.00 0.00 58.31 57.45 1hag n LYS 240 Cb 0.27 -1.79 0.06 0.00 -0.65 0.00 0.00 35.03 32.92 1hag n LYS 240 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1hag h VAL 241 N 0.00 1.25 0.00 0.58 3.04 0.32 -3.10 116.25 118.33 1hag h VAL 241 Ca -0.11 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1hag h VAL 241 Cb 1.36 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1hag h VAL 241 CO 0.03 0.31 0.00 -0.38 -1.01 0.00 0.00 177.57 176.51 1hag n ILE 242 N -4.35 0.00 0.25 3.17 5.41 -0.96 0.77 119.36 123.66 1hag n ILE 242 Ca 0.07 1.36 0.03 0.00 1.00 0.00 0.00 62.75 65.21 1hag n ILE 242 Cb 0.15 -2.35 0.16 0.00 -0.71 0.00 0.00 39.64 36.89 1hag n ILE 242 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1hag h ASP 243 N 0.00 0.00 0.00 4.38 5.19 -1.50 -0.09 116.42 124.40 1hag h ASP 243 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hag h ASP 243 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1hag h ASP 243 CO 0.00 0.00 0.00 1.67 -3.12 0.00 0.00 179.24 177.79 1hag n GLN 244 N -2.23 2.46 -4.03 3.56 0.00 -1.17 -5.05 117.38 110.91 1hag n GLN 244 Ca -0.00 -0.01 -0.23 0.00 -0.00 0.00 0.00 57.00 56.75 1hag n GLN 244 Cb 0.74 -0.21 -0.06 0.00 0.00 0.00 0.00 30.24 30.71 1hag n GLN 244 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1hag s PHE 245 N -0.35 2.67 0.00 3.69 0.08 0.23 -5.08 117.98 119.22 1hag s PHE 245 Ca 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1hag s PHE 245 Cb 0.00 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1hag s PHE 245 CO 0.00 0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 1hag n GLY 246 N -1.23 4.26 0.00 4.36 0.00 -1.26 -4.75 105.19 106.57 1hag n GLY 246 Ca -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1hag n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48