#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hze s THR 3 N 0.00 3.52 -0.10 0.00 2.01 -1.26 -1.90 115.64 117.91 3hze s THR 3 Ca 0.00 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3hze s THR 3 Cb 0.00 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3hze s THR 3 CO 0.00 0.49 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.05 3hze s TYR 4 N 0.51 2.94 0.09 4.92 2.02 0.67 -4.52 117.35 123.98 3hze s TYR 4 Ca -0.05 -0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 3hze s TYR 4 Cb -0.15 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3hze s TYR 4 CO 0.03 0.16 -0.09 0.71 -1.57 0.00 0.00 175.55 174.79 3hze s TYR 5 N -0.33 2.78 0.10 2.71 2.02 0.95 -1.29 117.35 124.29 3hze s TYR 5 Ca 0.05 -0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.44 3hze s TYR 5 Cb -0.12 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 3hze s TYR 5 CO 0.02 0.42 0.43 1.52 -1.57 0.00 0.00 175.55 176.38 3hze s TYR 6 N -1.19 -0.27 0.03 2.71 -0.85 -0.03 -1.17 117.35 116.58 3hze s TYR 6 Ca 0.21 0.08 0.08 0.00 -0.52 0.00 0.00 57.07 56.92 3hze s TYR 6 Cb -0.11 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 3hze s TYR 6 CO 0.13 -0.67 -0.21 0.96 -1.52 0.00 0.00 175.55 174.24 3hze s ILE 7 N -3.28 2.56 -0.01 -3.49 -4.36 -0.82 -1.32 121.20 110.46 3hze s ILE 7 Ca -0.00 -1.21 0.03 0.00 -0.26 0.00 0.00 60.65 59.20 3hze s ILE 7 Cb 0.01 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.68 3hze s ILE 7 CO -0.08 0.38 -0.09 -0.22 0.24 0.00 0.00 174.94 175.17 3hze s LEU 8 N -1.27 1.93 0.29 0.37 2.96 0.20 -1.76 118.68 121.39 3hze s LEU 8 Ca 0.13 -0.17 -0.20 0.00 -0.22 0.00 0.00 54.13 53.68 3hze s LEU 8 Cb -0.10 -0.48 0.05 0.00 0.50 0.00 0.00 46.19 46.15 3hze s LEU 8 CO 0.03 0.09 0.81 0.00 -1.32 0.00 0.00 176.35 175.97 3hze s ALA 9 N -0.06 -1.14 0.70 5.97 0.00 -0.93 -0.44 121.76 125.85 3hze s ALA 9 Ca 0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 3hze s ALA 9 Cb -0.05 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.83 3hze s ALA 9 CO -0.00 -1.02 1.12 -1.54 0.00 0.00 0.00 175.76 174.32 3hze s SER 10 N -3.03 4.79 0.15 0.00 1.04 -1.26 -1.04 113.70 114.35 3hze s SER 10 Ca 0.14 2.03 -0.13 0.00 0.48 0.00 0.00 55.95 58.48 3hze s SER 10 Cb -0.05 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.55 3hze s SER 10 CO 0.08 -1.84 1.63 0.50 0.98 0.00 0.00 173.24 174.59 3hze h LYS 11 N -0.26 0.83 -0.52 4.02 3.64 -0.81 -2.71 116.57 120.76 3hze h LYS 11 Ca -0.46 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 3hze h LYS 11 Cb 1.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 3hze h LYS 11 CO 0.52 0.83 0.34 1.57 -2.27 0.00 0.00 179.45 180.45 3hze h LYS 12 N 0.71 0.68 -0.05 1.90 2.10 -1.92 -1.21 116.57 118.78 3hze h LYS 12 Ca 0.15 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 3hze h LYS 12 Cb 0.40 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3hze h LYS 12 CO 0.01 0.46 -0.01 0.35 -2.00 0.00 0.00 179.45 178.26 3hze h PHE 13 N 0.70 0.10 0.00 0.07 3.04 -1.88 0.54 116.94 119.51 3hze h PHE 13 Ca 0.19 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.12 3hze h PHE 13 Cb -0.08 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.41 3hze h PHE 13 CO 0.00 0.42 0.00 1.28 -2.02 0.00 0.00 178.31 177.99 3hze n LEU 14 N -4.85 0.20 -0.07 0.59 4.77 -0.99 -0.07 117.00 116.59 3hze n LEU 14 Ca -0.07 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.33 3hze n LEU 14 Cb 0.21 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3hze n LEU 14 CO 0.34 -0.33 -0.95 0.35 -1.33 0.00 0.00 177.39 175.47 3hze n THR 15 N -1.72 0.74 -0.02 -5.08 -2.24 -0.49 -3.55 114.28 101.92 3hze n THR 15 Ca 0.03 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 3hze n THR 15 Cb 0.19 -1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 66.90 3hze n THR 15 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hze n GLU 16 N -3.31 0.71 0.00 -0.78 1.02 0.19 -4.45 120.64 114.01 3hze n GLU 16 Ca -0.25 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hze n GLU 16 Cb 0.71 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3hze n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hze n GLU 17 N -3.31 0.00 -3.81 3.49 -0.58 -0.43 -4.82 120.64 111.18 3hze n GLU 17 Ca -0.29 0.25 -0.31 0.00 -0.42 0.00 0.00 57.16 56.39 3hze n GLU 17 Cb 1.05 -0.71 -0.10 0.00 -0.57 0.00 0.00 31.44 31.11 3hze n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hze s GLU 18 N -0.67 2.69 0.23 3.49 0.41 0.91 -5.02 118.70 120.73 3hze s GLU 18 Ca 0.00 -3.23 -0.30 0.00 -0.41 0.00 0.00 54.97 51.03 3hze s GLU 18 Cb 0.00 -3.60 -0.09 0.00 -1.78 0.00 0.00 34.13 28.66 3hze s GLU 18 CO 0.00 -1.26 1.33 -1.25 -0.49 0.00 0.00 175.26 173.59 3hze s PRO 19 N -1.27 4.37 -0.11 0.39 0.04 -1.23 -4.55 135.00 132.64 3hze s PRO 19 Ca 0.25 2.12 0.15 0.00 0.04 0.00 0.00 61.00 63.55 3hze s PRO 19 Cb -0.08 -3.16 0.48 0.00 0.04 0.00 0.00 34.50 31.79 3hze s PRO 19 CO -0.13 -0.27 1.40 1.28 0.04 0.00 0.00 177.00 179.32 3hze n LEU 20 N 2.31 3.72 -0.02 -3.56 4.77 -1.26 -4.73 117.00 118.23 3hze n LEU 20 Ca 0.05 -2.57 -0.09 0.00 -0.03 0.00 0.00 56.01 53.38 3hze n LEU 20 Cb 0.42 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3hze n LEU 20 CO 0.58 0.71 0.76 -0.08 -1.33 0.00 0.00 177.39 178.04 3hze h GLU 21 N 2.27 -0.16 -0.63 3.23 4.81 -1.92 -0.33 114.58 121.86 3hze h GLU 21 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3hze h GLU 21 Cb 1.21 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3hze h GLU 21 CO 0.15 -0.11 0.33 1.49 -0.73 0.00 0.00 179.01 180.15 3hze h GLU 22 N -0.16 0.87 -0.13 1.92 4.81 -1.99 -1.07 114.58 118.82 3hze h GLU 22 Ca 0.11 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3hze h GLU 22 Cb 0.32 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3hze h GLU 22 CO -0.27 0.65 0.04 0.28 -0.73 0.00 0.00 179.01 178.98 3hze h VAL 23 N 0.87 1.18 -0.11 0.32 2.07 -1.68 -0.50 116.25 118.40 3hze h VAL 23 Ca 0.22 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3hze h VAL 23 Cb 0.04 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3hze h VAL 23 CO -0.03 0.17 0.05 -0.26 0.02 0.00 0.00 177.57 177.51 3hze h PHE 24 N 0.02 0.17 -0.88 1.57 -1.00 -0.78 -1.16 116.94 114.89 3hze h PHE 24 Ca 0.04 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 3hze h PHE 24 Cb 0.23 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.70 3hze h PHE 24 CO 0.00 0.25 0.52 0.00 -1.61 0.00 0.00 178.31 177.48 3hze h ARG 25 N 0.04 1.19 -0.28 1.51 3.08 -1.18 0.13 114.38 118.87 3hze h ARG 25 Ca 0.04 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 3hze h ARG 25 Cb 0.15 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3hze h ARG 25 CO -0.00 0.84 -0.55 0.93 -1.07 0.00 0.00 179.97 180.11 3hze h GLU 26 N 1.21 0.85 -0.14 0.04 5.08 -0.99 -2.15 114.58 118.48 3hze h GLU 26 Ca 0.31 -0.54 -0.17 0.00 -1.00 0.00 0.00 59.36 57.96 3hze h GLU 26 Cb -0.05 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3hze h GLU 26 CO -0.06 1.17 -0.64 -0.09 -1.00 0.00 0.00 179.01 178.40 3hze h ARG 27 N 0.65 0.50 -0.38 2.33 2.43 -0.90 -1.69 114.38 117.32 3hze h ARG 27 Ca 0.01 -0.36 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 3hze h ARG 27 Cb 1.15 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3hze h ARG 27 CO 0.12 0.98 -0.18 1.96 -1.51 0.00 0.00 179.97 181.33 3hze h GLN 28 N 0.37 0.73 0.11 0.20 4.20 -0.75 -1.40 115.11 118.56 3hze h GLN 28 Ca -0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3hze h GLN 28 Cb 1.20 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3hze h GLN 28 CO 0.12 0.86 -0.05 -0.09 -0.67 0.00 0.00 178.83 179.00 3hze h ARG 29 N 0.65 -0.14 -0.49 1.46 2.43 -1.27 -3.06 114.38 113.96 3hze h ARG 29 Ca 0.10 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3hze h ARG 29 Cb 0.67 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 3hze h ARG 29 CO 0.05 0.09 0.14 1.25 -1.51 0.00 0.00 179.97 179.98 3hze h HIS 30 N -0.35 0.23 -0.51 2.20 2.76 -1.14 -2.79 115.15 115.56 3hze h HIS 30 Ca -0.01 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 3hze h HIS 30 Cb 0.29 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 3hze h HIS 30 CO -0.01 0.05 0.15 1.88 -1.30 0.00 0.00 177.93 178.70 3hze h TYR 31 N 0.29 0.25 -0.57 5.26 -1.99 -1.22 -2.02 116.97 116.98 3hze h TYR 31 Ca 0.24 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.96 3hze h TYR 31 Cb 0.29 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 3hze h TYR 31 CO -0.19 0.05 0.19 0.00 -0.00 0.00 0.00 178.16 178.20 3hze h ARG 32 N 0.30 0.84 0.00 4.88 3.08 -1.40 0.14 114.38 122.23 3hze h ARG 32 Ca 0.25 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hze h ARG 32 Cb 0.31 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3hze h ARG 32 CO -0.29 0.72 -0.11 0.93 -1.07 0.00 0.00 179.97 180.15 3hze h GLU 33 N 0.82 0.00 -0.32 0.04 5.08 -1.14 -1.73 114.58 117.34 3hze h GLU 33 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3hze h GLU 33 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hze h GLU 33 CO -0.01 0.11 0.00 1.04 -1.00 0.00 0.00 179.01 179.15 3hze n GLN 34 N -3.75 2.21 -2.65 2.33 3.00 -0.61 -4.97 117.38 112.94 3hze n GLN 34 Ca -0.02 -2.02 -0.18 0.00 -0.01 0.00 0.00 57.00 54.77 3hze n GLN 34 Cb 0.21 -1.39 0.01 0.00 0.00 0.00 0.00 30.24 29.07 3hze n GLN 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hze n GLY 35 N 1.09 -0.30 3.81 1.08 0.00 -0.26 -5.00 105.19 105.61 3hze n GLY 35 Ca 0.15 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3hze n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hze s LYS 36 N -5.22 3.27 0.10 1.61 1.02 0.34 -5.00 119.74 115.85 3hze s LYS 36 Ca 0.15 -0.26 -0.28 0.00 0.02 0.00 0.00 55.97 55.60 3hze s LYS 36 Cb -0.07 -3.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.15 3hze s LYS 36 CO 0.18 0.74 0.87 -2.00 -0.92 0.00 0.00 175.35 174.22 3hze s GLU 37 N -1.12 4.62 -0.00 1.68 2.12 -1.26 -4.25 118.70 120.49 3hze s GLU 37 Ca 0.16 1.28 -0.34 0.00 0.36 0.00 0.00 54.97 56.43 3hze s GLU 37 Cb -0.12 -3.36 -0.12 0.00 0.26 0.00 0.00 34.13 30.79 3hze s GLU 37 CO 0.05 0.29 1.80 -0.89 -0.54 0.00 0.00 175.26 175.97 3hze n ILE 38 N 2.62 0.41 -1.51 -3.70 5.41 -1.26 -4.86 119.36 116.48 3hze n ILE 38 Ca -0.00 -0.07 0.07 0.00 1.00 0.00 0.00 62.75 63.74 3hze n ILE 38 Cb 0.49 -1.81 0.13 0.00 -0.71 0.00 0.00 39.64 37.75 3hze n ILE 38 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3hze n ASP 39 N 5.71 1.68 -3.98 4.38 5.75 -1.26 -5.00 116.55 123.82 3hze n ASP 39 Ca 0.21 -3.07 -0.18 0.00 -0.01 0.00 0.00 54.79 51.73 3hze n ASP 39 Cb 0.30 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 39.83 3hze n ASP 39 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3hze s PHE 40 N -2.29 0.73 -0.02 2.11 -0.71 -1.26 -2.25 117.98 114.29 3hze s PHE 40 Ca 0.29 -0.16 -0.07 0.00 -1.04 0.00 0.00 56.93 55.96 3hze s PHE 40 Cb 0.28 -0.51 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 3hze s PHE 40 CO -0.02 -0.06 0.14 -1.58 -1.34 0.00 0.00 175.22 172.36 3hze s TRP 41 N 0.07 -0.02 -0.10 3.49 0.51 0.19 -4.99 118.94 118.10 3hze s TRP 41 Ca -0.01 0.02 -0.21 0.00 -2.12 0.00 0.00 56.10 53.79 3hze s TRP 41 Cb -0.06 -0.02 -0.04 0.00 -0.81 0.00 0.00 33.47 32.54 3hze s TRP 41 CO -0.00 -0.23 0.59 -1.17 -0.51 0.00 0.00 176.95 175.64 3hze s LEU 42 N -0.95 4.29 -0.36 2.99 2.96 -1.26 -0.71 118.68 125.64 3hze s LEU 42 Ca -0.10 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 3hze s LEU 42 Cb -0.06 -2.89 0.12 0.00 0.50 0.00 0.00 46.19 43.85 3hze s LEU 42 CO 0.01 -0.07 0.16 -0.69 -1.32 0.00 0.00 176.35 174.43 3hze s VAL 43 N 0.79 1.00 0.38 1.68 1.01 0.55 -4.97 120.40 120.84 3hze s VAL 43 Ca 0.32 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.20 3hze s VAL 43 Cb -0.16 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 3hze s VAL 43 CO 0.14 -0.78 1.13 -2.16 0.00 0.00 0.00 175.10 173.43 3hze s PRO 44 N 1.12 4.20 -1.07 2.72 0.04 -1.26 -1.13 135.00 139.61 3hze s PRO 44 Ca 0.13 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 3hze s PRO 44 Cb -0.20 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.61 3hze s PRO 44 CO -0.14 -0.17 0.71 0.39 0.04 0.00 0.00 177.00 177.83 3hze n GLU 45 N 0.26 -0.94 -1.76 4.56 1.02 0.14 -3.94 120.64 119.97 3hze n GLU 45 Ca 0.03 0.46 -0.42 0.00 -0.02 0.00 0.00 57.16 57.21 3hze n GLU 45 Cb 0.47 -3.28 -0.03 0.00 -0.02 0.00 0.00 31.44 28.58 3hze n GLU 45 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hze s PRO 46 N -6.06 4.14 0.30 3.49 0.04 -1.25 -0.42 135.00 135.25 3hze s PRO 46 Ca 0.35 2.57 0.02 0.00 0.04 0.00 0.00 61.00 63.98 3hze s PRO 46 Cb -0.16 -3.13 0.48 0.00 0.04 0.00 0.00 34.50 31.73 3hze s PRO 46 CO 0.90 -0.74 1.82 0.00 0.04 0.00 0.00 177.00 179.02 3hze h ALA 47 N 6.96 1.24 -0.12 8.56 0.00 -1.61 -2.91 119.26 131.39 3hze h ALA 47 Ca -0.43 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.27 3hze h ALA 47 Cb 1.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hze h ALA 47 CO 0.95 0.50 0.09 0.27 0.00 0.00 0.00 179.25 181.06 3hze h PHE 48 N 0.59 0.00 0.00 0.00 -5.15 -1.86 -0.66 116.94 109.86 3hze h PHE 48 Ca 0.12 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.89 3hze h PHE 48 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.57 3hze h PHE 48 CO 0.02 0.00 -0.02 1.25 -2.00 0.00 0.00 178.31 177.55 3hze h LEU 49 N 0.00 0.00 -0.15 2.10 5.85 -1.88 -1.43 115.31 119.80 3hze h LEU 49 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hze h LEU 49 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3hze h LEU 49 CO -0.00 0.02 -0.13 -0.62 -0.34 0.00 0.00 178.44 177.37 3hze n GLU 50 N -3.30 0.49 -2.49 1.25 -0.58 -0.26 -4.58 120.64 111.17 3hze n GLU 50 Ca -0.02 -0.15 -0.34 0.00 -0.42 0.00 0.00 57.16 56.23 3hze n GLU 50 Cb 0.14 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 3hze n GLU 50 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hze s GLN 51 N -2.62 3.79 0.20 3.49 -0.21 -0.54 -4.97 119.66 118.80 3hze s GLN 51 Ca 0.25 1.28 -0.16 0.00 0.02 0.00 0.00 55.36 56.75 3hze s GLN 51 Cb 0.20 -2.10 0.18 0.00 1.00 0.00 0.00 33.01 32.29 3hze s GLN 51 CO 0.51 -0.43 1.63 -1.35 -2.12 0.00 0.00 175.29 173.53 3hze h PRO 52 N 1.39 -0.04 0.00 2.91 0.11 -1.90 -1.30 132.00 133.16 3hze h PRO 52 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hze h PRO 52 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hze h PRO 52 CO 0.59 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 3hze n GLN 53 N -5.41 0.06 -0.10 1.05 0.00 -1.26 -1.69 117.38 110.03 3hze n GLN 53 Ca 0.06 0.24 0.06 0.00 0.00 0.00 0.00 57.00 57.36 3hze n GLN 53 Cb 0.31 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.16 3hze n GLN 53 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3hze n PHE 54 N -1.28 0.16 -0.33 2.61 3.72 -0.50 -4.74 117.46 117.11 3hze n PHE 54 Ca 0.02 -0.75 0.03 0.00 -0.05 0.00 0.00 57.45 56.70 3hze n PHE 54 Cb 0.03 -0.12 0.18 0.00 -0.94 0.00 0.00 39.48 38.63 3hze n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hze h ALA 55 N 0.43 1.29 -0.52 4.37 0.00 -1.32 0.80 119.26 124.31 3hze h ALA 55 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hze h ALA 55 Cb 0.85 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hze h ALA 55 CO 0.03 0.24 0.31 1.49 0.00 0.00 0.00 179.25 181.32 3hze h GLU 56 N 0.96 0.70 -0.41 0.00 4.22 -1.85 -1.65 114.58 116.56 3hze h GLU 56 Ca 0.42 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.71 3hze h GLU 56 Cb 0.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hze h GLU 56 CO -0.22 0.51 -0.07 1.96 -2.18 0.00 0.00 179.01 179.01 3hze h GLN 57 N 0.70 0.77 -0.37 1.92 1.08 -1.70 -2.42 115.11 115.07 3hze h GLN 57 Ca 0.19 -0.28 0.08 0.00 -1.45 0.00 0.00 58.65 57.18 3hze h GLN 57 Cb -0.02 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.29 3hze h GLN 57 CO -0.04 0.88 -0.10 -0.22 -0.95 0.00 0.00 178.83 178.41 3hze h LYS 58 N 0.59 -0.01 -0.20 1.46 1.63 -0.51 -0.89 116.57 118.64 3hze h LYS 58 Ca 0.11 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.80 3hze h LYS 58 Cb 0.59 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3hze h LYS 58 CO 0.03 -0.00 -0.35 0.00 -3.45 0.00 0.00 179.45 175.68 3hze h ALA 59 N 1.36 1.02 0.00 5.00 0.00 -1.25 -3.11 119.26 122.29 3hze h ALA 59 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hze h ALA 59 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hze h ALA 59 CO -0.39 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3hze h ARG 60 N 0.36 0.00 -5.09 0.00 3.08 -0.90 -3.44 114.38 108.40 3hze h ARG 60 Ca 0.04 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.46 3hze h ARG 60 Cb 0.79 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.68 3hze h ARG 60 CO 0.06 0.00 -0.54 0.00 -1.07 0.00 0.00 179.97 178.42 3hze s PRO 62 N 1.06 3.84 0.08 0.00 0.04 -1.26 -4.90 135.00 133.86 3hze s PRO 62 Ca 0.06 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.18 3hze s PRO 62 Cb -0.14 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3hze s PRO 62 CO 0.04 -0.57 0.19 -0.65 0.04 0.00 0.00 177.00 176.05 3hze s GLN 63 N -2.41 3.30 0.41 4.56 -1.52 -1.26 -3.88 119.66 118.86 3hze s GLN 63 Ca 0.60 -0.53 -0.24 0.00 -1.95 0.00 0.00 55.36 53.23 3hze s GLN 63 Cb -0.36 -2.95 -0.08 0.00 -0.22 0.00 0.00 33.01 29.40 3hze s GLN 63 CO 0.45 0.58 1.11 -1.25 -0.25 0.00 0.00 175.29 175.93 3hze s PRO 64 N -2.61 4.05 0.43 2.91 0.04 -1.26 -4.96 135.00 133.60 3hze s PRO 64 Ca 0.34 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.11 3hze s PRO 64 Cb -0.12 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3hze s PRO 64 CO 0.27 -0.27 0.31 0.00 0.04 0.00 0.00 177.00 177.35 3hze s ALA 65 N -1.56 3.93 -0.07 8.56 0.00 -1.25 -0.16 121.76 131.21 3hze s ALA 65 Ca 0.59 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 3hze s ALA 65 Cb -0.26 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.12 3hze s ALA 65 CO 0.32 -0.22 0.39 0.00 0.00 0.00 0.00 175.76 176.25 3hze s ALA 66 N -2.54 -0.99 0.15 0.00 0.00 -0.21 0.28 121.76 118.46 3hze s ALA 66 Ca 0.45 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.23 3hze s ALA 66 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3hze s ALA 66 CO 0.26 -0.25 -0.17 0.00 0.00 0.00 0.00 175.76 175.59 3hze s ALA 67 N -0.77 1.88 -0.24 0.00 0.00 -0.29 -2.20 121.76 120.15 3hze s ALA 67 Ca -0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 3hze s ALA 67 Cb -0.04 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3hze s ALA 67 CO 0.04 0.20 -0.09 0.42 0.00 0.00 0.00 175.76 176.32 3hze s ILE 68 N -2.09 2.65 -0.02 0.00 1.09 -0.73 -0.33 121.20 121.79 3hze s ILE 68 Ca 0.14 -1.08 0.04 0.00 -1.10 0.00 0.00 60.65 58.65 3hze s ILE 68 Cb -0.05 -2.33 -0.03 0.00 -1.06 0.00 0.00 42.46 38.98 3hze s ILE 68 CO 0.06 0.23 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.37 3hze s ILE 69 N 1.29 3.18 0.08 2.92 1.01 0.12 -1.95 121.20 127.84 3hze s ILE 69 Ca -0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 3hze s ILE 69 Cb -0.16 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.05 3hze s ILE 69 CO -0.06 0.48 0.48 -0.55 0.00 0.00 0.00 174.94 175.30 3hze s SER 70 N -1.08 -0.38 0.00 3.58 0.15 -0.32 0.56 113.70 116.21 3hze s SER 70 Ca 0.14 0.01 0.24 0.00 0.70 0.00 0.00 55.95 57.03 3hze s SER 70 Cb -0.11 0.49 0.56 0.00 -1.71 0.00 0.00 66.02 65.25 3hze s SER 70 CO 0.03 -0.78 1.46 0.35 1.20 0.00 0.00 173.24 175.51 3hze n THR 71 N 0.16 0.20 -3.44 6.45 -2.24 -0.96 -0.03 114.28 114.42 3hze n THR 71 Ca -0.18 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 3hze n THR 71 Cb 0.62 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 3hze n THR 71 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hze s ASN 72 N -1.75 5.94 0.22 3.42 3.04 -1.26 -4.89 114.94 119.66 3hze s ASN 72 Ca 0.34 -1.81 -0.09 0.00 0.04 0.00 0.00 52.86 51.34 3hze s ASN 72 Cb 0.20 -2.11 0.19 0.00 -1.54 0.00 0.00 41.25 38.00 3hze s ASN 72 CO 0.30 -0.76 1.88 -0.61 -3.04 0.00 0.00 177.10 174.88 3hze h GLN 73 N 8.66 1.01 -0.45 0.43 4.15 -1.95 -2.65 115.11 124.32 3hze h GLN 73 Ca -0.26 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 3hze h GLN 73 Cb 1.09 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 3hze h GLN 73 CO 0.94 0.67 0.13 1.96 -1.93 0.00 0.00 178.83 180.60 3hze h GLN 74 N 1.05 0.66 -0.41 1.69 1.08 -1.99 0.66 115.11 117.85 3hze h GLN 74 Ca 0.30 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 3hze h GLN 74 Cb -0.08 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 3hze h GLN 74 CO -0.08 0.59 0.09 0.35 -0.95 0.00 0.00 178.83 178.83 3hze h PHE 75 N 0.64 0.70 -0.59 2.96 3.57 -1.91 -0.23 116.94 122.08 3hze h PHE 75 Ca 0.15 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3hze h PHE 75 Cb 0.21 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3hze h PHE 75 CO 0.01 0.67 0.11 0.82 -2.23 0.00 0.00 178.31 177.69 3hze h ILE 76 N 0.52 1.26 -0.54 1.41 1.08 -1.16 -0.70 117.51 119.38 3hze h ILE 76 Ca 0.13 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.56 3hze h ILE 76 Cb 0.33 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3hze h ILE 76 CO 0.00 0.36 0.09 1.56 -0.69 0.00 0.00 178.15 179.47 3hze h GLN 77 N 0.88 0.85 -0.49 2.37 4.20 -0.74 0.11 115.11 122.29 3hze h GLN 77 Ca 0.18 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3hze h GLN 77 Cb 0.41 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3hze h GLN 77 CO 0.01 0.79 0.23 2.35 -0.67 0.00 0.00 178.83 181.54 3hze h TRP 78 N 0.81 0.70 -0.42 2.96 7.01 -0.51 0.16 115.95 126.65 3hze h TRP 78 Ca 0.17 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.09 3hze h TRP 78 Cb 0.36 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3hze h TRP 78 CO 0.02 0.56 0.07 -0.07 -2.79 0.00 0.00 178.44 176.23 3hze h LEU 79 N 0.64 0.59 0.10 0.65 3.38 -0.65 -0.15 115.31 119.88 3hze h LEU 79 Ca 0.17 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hze h LEU 79 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hze h LEU 79 CO -0.02 0.62 -0.05 0.50 0.09 0.00 0.00 178.44 179.58 3hze h LYS 80 N 0.62 -0.13 -0.97 1.13 1.63 -0.23 -0.01 116.57 118.61 3hze h LYS 80 Ca 0.14 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.05 3hze h LYS 80 Cb 0.29 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.87 3hze h LYS 80 CO 0.00 0.09 0.60 1.25 -3.45 0.00 0.00 179.45 177.94 3hze h LEU 81 N -0.33 0.89 -0.10 5.20 5.85 -0.34 0.24 115.31 126.72 3hze h LEU 81 Ca -0.01 0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.56 3hze h LEU 81 Cb 0.28 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hze h LEU 81 CO 0.02 0.50 -0.66 0.03 -0.34 0.00 0.00 178.44 177.99 3hze h ARG 82 N 0.98 0.63 0.06 1.25 2.47 -0.78 -3.39 114.38 115.59 3hze h ARG 82 Ca 0.47 -0.54 -0.31 0.00 -1.26 0.00 0.00 59.98 58.34 3hze h ARG 82 Cb 0.41 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 3hze h ARG 82 CO -0.25 1.16 -1.68 1.28 0.56 0.00 0.00 179.97 181.04 3hze n LEU 83 N -4.09 2.24 0.00 3.04 4.77 -0.04 -4.95 117.00 117.97 3hze n LEU 83 Ca -0.08 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3hze n LEU 83 Cb 0.69 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3hze n LEU 83 CO 0.50 0.56 0.00 1.21 -1.33 0.00 0.00 177.39 178.33 3hze n GLU 84 N -3.97 0.00 -0.94 3.23 4.07 0.81 -4.65 120.64 119.19 3hze n GLU 84 Ca -0.33 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.65 3hze n GLU 84 Cb 0.86 -0.13 -0.15 0.00 -0.06 0.00 0.00 31.44 31.96 3hze n GLU 84 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3hze n TYR 85 N 0.00 0.06 -3.73 4.31 4.02 -1.26 -4.81 117.16 115.76 3hze n TYR 85 Ca 0.00 -1.44 -0.11 0.00 -0.01 0.00 0.00 57.90 56.35 3hze n TYR 85 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 39.34 37.72 3hze n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3hze s VAL 86 N 1.18 0.09 0.01 -0.72 -7.23 -1.26 -4.92 120.40 107.54 3hze s VAL 86 Ca 0.62 -0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3hze s VAL 86 Cb 0.29 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 36.14 3hze s VAL 86 CO -0.00 -0.40 0.01 0.18 -0.31 0.00 0.00 175.10 174.58 3hze n LEU 87 N 0.18 0.00 0.00 1.32 4.77 0.41 -4.87 117.00 118.81 3hze n LEU 87 Ca -0.17 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3hze n LEU 87 Cb 0.61 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3hze n LEU 87 CO 0.20 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 3hze n GLY 89 N 4.93 -0.39 3.34 -0.72 0.00 -0.44 0.59 105.19 112.50 3hze n GLY 89 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 3hze n GLY 89 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hze s GLN 90 N -1.90 1.11 0.18 1.61 -2.07 -1.26 -0.85 119.66 116.48 3hze s GLN 90 Ca 0.00 -0.61 -0.23 0.00 -1.82 0.00 0.00 55.36 52.71 3hze s GLN 90 Cb 0.00 0.49 0.06 0.00 -1.09 0.00 0.00 33.01 32.47 3hze s GLN 90 CO 0.00 -0.44 0.65 -0.59 -1.32 0.00 0.00 175.29 173.59 3hze s PHE 91 N -3.64 -0.43 0.32 9.60 -0.12 -0.41 -4.99 117.98 118.31 3hze s PHE 91 Ca 0.02 0.16 0.08 0.00 -0.05 0.00 0.00 56.93 57.13 3hze s PHE 91 Cb 0.01 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3hze s PHE 91 CO -0.11 -0.94 0.17 0.95 -0.05 0.00 0.00 175.22 175.25 3hze s THR 92 N -3.75 3.32 0.01 -4.49 -4.23 -1.26 -0.24 115.64 104.99 3hze s THR 92 Ca 0.04 -1.60 0.31 0.00 -1.18 0.00 0.00 61.69 59.25 3hze s THR 92 Cb -0.02 -3.06 0.32 0.00 1.34 0.00 0.00 72.50 71.08 3hze s THR 92 CO -0.07 -0.21 1.93 0.77 -0.54 0.00 0.00 174.62 176.49 3hze h SER 93 N 1.49 0.00 0.59 3.99 4.64 -1.62 -1.33 113.55 121.31 3hze h SER 93 Ca -0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 3hze h SER 93 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3hze h SER 93 CO 0.61 0.00 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.62 3hze h GLU 94 N 0.00 0.04 0.01 4.77 4.39 -1.95 -3.27 114.58 118.58 3hze h GLU 94 Ca 0.00 -0.03 -0.30 0.00 0.34 0.00 0.00 59.36 59.37 3hze h GLU 94 Cb 0.22 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 3hze h GLU 94 CO 0.00 0.66 -1.75 0.39 -1.16 0.00 0.00 179.01 177.15 3hze n GLU 95 N -3.80 0.65 -4.06 2.33 1.02 -0.55 -4.82 120.64 111.41 3hze n GLU 95 Ca -0.01 0.29 -0.32 0.00 -0.02 0.00 0.00 57.16 57.10 3hze n GLU 95 Cb 0.63 -1.78 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 3hze n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hze s VAL 96 N -2.59 1.94 0.14 2.62 1.01 -0.92 -5.03 120.40 117.57 3hze s VAL 96 Ca -0.07 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.46 3hze s VAL 96 Cb 0.08 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3hze s VAL 96 CO 0.82 0.21 1.61 -0.65 0.00 0.00 0.00 175.10 177.09 3hze h PRO 97 N 7.90 -0.36 -3.35 2.72 0.11 -1.88 -3.33 132.00 133.81 3hze h PRO 97 Ca -0.30 0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.20 3hze h PRO 97 Cb 1.09 0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 3hze h PRO 97 CO 0.52 -0.24 -0.64 -0.80 -0.21 0.00 0.00 178.00 176.62 3hze s ASN 98 N -4.95 4.24 0.25 -2.05 -0.87 -1.26 -5.01 114.94 105.29 3hze s ASN 98 Ca -0.15 -2.96 -0.05 0.00 -1.57 0.00 0.00 52.86 48.12 3hze s ASN 98 Cb 0.11 -1.57 0.48 0.00 -0.02 0.00 0.00 41.25 40.25 3hze s ASN 98 CO 0.66 -0.24 1.63 -0.65 -2.57 0.00 0.00 177.10 175.94 3hze h PRO 99 N 6.53 0.11 -0.63 -0.60 0.11 -1.95 -2.49 132.00 133.08 3hze h PRO 99 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3hze h PRO 99 Cb 0.90 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3hze h PRO 99 CO 0.66 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.81 3hze n LEU 100 N -5.34 4.02 -4.74 2.35 4.77 -1.26 -4.78 117.00 112.02 3hze n LEU 100 Ca 0.15 -2.03 -0.42 0.00 -0.03 0.00 0.00 56.01 53.69 3hze n LEU 100 Cb 0.51 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3hze n LEU 100 CO 0.04 0.70 1.25 0.00 -1.33 0.00 0.00 177.39 178.05 3hze s ALA 101 N -1.77 3.77 -0.06 -1.18 0.00 -0.94 -4.96 121.76 116.63 3hze s ALA 101 Ca 0.43 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.94 3hze s ALA 101 Cb 0.27 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 3hze s ALA 101 CO 0.21 -0.91 -0.17 0.45 0.00 0.00 0.00 175.76 175.34 3hze s SER 102 N 0.69 3.79 -0.14 0.00 0.15 -1.26 -1.57 113.70 115.36 3hze s SER 102 Ca 0.66 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 57.19 3hze s SER 102 Cb -0.47 -0.88 0.72 0.00 -1.71 0.00 0.00 66.02 63.68 3hze s SER 102 CO 0.42 0.31 1.62 0.18 1.20 0.00 0.00 173.24 176.96 3hze n LEU 103 N 2.55 4.85 -4.66 3.45 4.77 0.45 -4.87 117.00 123.53 3hze n LEU 103 Ca -0.17 -2.45 -0.45 0.00 -0.03 0.00 0.00 56.01 52.91 3hze n LEU 103 Cb 0.52 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3hze n LEU 103 CO 0.26 0.72 0.99 0.00 -1.33 0.00 0.00 177.39 178.02 3hze n ALA 104 N 0.93 0.96 1.12 -1.18 0.00 -1.26 -4.87 120.51 116.21 3hze n ALA 104 Ca 0.25 0.41 0.12 0.00 0.00 0.00 0.00 53.44 54.23 3hze n ALA 104 Cb 0.95 -2.25 0.18 0.00 0.00 0.00 0.00 19.45 18.32 3hze n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hze n SER 105 N 2.10 1.90 -3.54 0.00 2.88 -1.26 -4.95 113.62 110.75 3hze n SER 105 Ca 0.12 -1.45 -0.17 0.00 -1.33 0.00 0.00 58.87 56.04 3hze n SER 105 Cb 0.31 0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.95 3hze n SER 105 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hze s VAL 106 N -2.34 0.00 0.60 2.46 0.11 -1.26 -5.16 120.40 114.82 3hze s VAL 106 Ca 0.24 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.13 3hze s VAL 106 Cb 0.19 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 3hze s VAL 106 CO 0.48 0.00 1.10 -0.76 -3.33 0.00 0.00 175.10 172.59 3hze s LEU 107 N -0.99 3.53 0.00 2.54 1.43 -1.26 -5.20 118.68 118.73 3hze s LEU 107 Ca -0.09 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3hze s LEU 107 Cb -0.01 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.66 3hze s LEU 107 CO 0.09 -1.38 0.39 -1.84 0.23 0.00 0.00 176.35 173.84