#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 4.03 -0.16 0.00 2.01 -1.26 -1.40 115.64 118.86 3hze s THR 3 Ca 0.00 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 3hze s THR 3 Cb 0.00 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 3hze s THR 3 CO 0.00 0.47 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.04 3hze s TYR 4 N 0.56 2.98 0.06 4.92 2.02 0.11 -4.49 117.35 123.51 3hze s TYR 4 Ca -0.01 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 3hze s TYR 4 Cb -0.14 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 3hze s TYR 4 CO 0.02 -0.11 0.03 0.71 -1.57 0.00 0.00 175.55 174.63 3hze s TYR 5 N 0.48 3.08 0.17 2.71 2.02 -0.17 -0.95 117.35 124.69 3hze s TYR 5 Ca -0.04 0.04 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 3hze s TYR 5 Cb -0.15 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 3hze s TYR 5 CO 0.03 0.49 0.47 1.52 -1.57 0.00 0.00 175.55 176.49 3hze s TYR 6 N -1.27 -0.10 0.03 2.71 -0.85 0.06 -1.38 117.35 116.55 3hze s TYR 6 Ca 0.25 -0.24 0.08 0.00 -0.52 0.00 0.00 57.07 56.65 3hze s TYR 6 Cb -0.12 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 3hze s TYR 6 CO 0.17 -0.84 -0.25 0.96 -1.52 0.00 0.00 175.55 174.08 3hze s ILE 7 N -3.86 2.00 -0.03 -3.49 -4.36 -0.87 -1.58 121.20 109.01 3hze s ILE 7 Ca 0.08 -1.26 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 3hze s ILE 7 Cb 0.00 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 42.01 3hze s ILE 7 CO -0.05 0.39 -0.10 -0.22 0.24 0.00 0.00 174.94 175.19 3hze s LEU 8 N -1.05 1.82 0.28 0.37 2.96 0.11 -1.99 118.68 121.18 3hze s LEU 8 Ca 0.10 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.61 3hze s LEU 8 Cb -0.10 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.01 3hze s LEU 8 CO 0.01 0.08 0.69 0.00 -1.32 0.00 0.00 176.35 175.81 3hze s ALA 9 N 0.15 -1.07 0.61 5.97 0.00 -0.65 -0.83 121.76 125.93 3hze s ALA 9 Ca -0.03 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 3hze s ALA 9 Cb -0.09 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3hze s ALA 9 CO 0.01 -1.01 1.22 -1.54 0.00 0.00 0.00 175.76 174.43 3hze s SER 10 N -2.94 5.04 0.33 0.00 1.04 -1.26 -0.51 113.70 115.40 3hze s SER 10 Ca 0.13 2.42 0.01 0.00 0.48 0.00 0.00 55.95 58.99 3hze s SER 10 Cb -0.05 -2.60 0.58 0.00 0.10 0.00 0.00 66.02 64.04 3hze s SER 10 CO 0.07 -1.70 1.97 0.50 0.98 0.00 0.00 173.24 175.07 3hze h LYS 11 N 0.76 0.92 -0.08 4.02 3.64 -1.06 -2.31 116.57 122.46 3hze h LYS 11 Ca -0.50 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3hze h LYS 11 Cb 1.30 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3hze h LYS 11 CO 0.54 0.61 0.05 -0.22 -2.27 0.00 0.00 179.45 178.17 3hze h LYS 12 N 0.95 0.11 -0.94 1.90 3.64 -1.90 -1.62 116.57 118.70 3hze h LYS 12 Ca 0.30 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 3hze h LYS 12 Cb 0.02 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3hze h LYS 12 CO -0.08 0.10 0.62 0.35 -2.27 0.00 0.00 179.45 178.16 3hze h PHE 13 N 0.09 1.16 -0.00 1.91 3.04 -1.79 -0.67 116.94 120.68 3hze h PHE 13 Ca 0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3hze h PHE 13 Cb 0.01 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.13 3hze h PHE 13 CO -0.07 0.69 -0.06 1.28 -2.02 0.00 0.00 178.31 178.14 3hze n LEU 14 N -4.42 0.30 -0.01 0.59 4.77 -0.96 -0.41 117.00 116.86 3hze n LEU 14 Ca 0.12 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 3hze n LEU 14 Cb 0.07 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3hze n LEU 14 CO 0.35 0.05 -0.38 0.35 -1.33 0.00 0.00 177.39 176.44 3hze n THR 15 N -1.04 1.20 -0.00 -5.08 -2.24 -0.63 -4.13 114.28 102.36 3hze n THR 15 Ca 0.16 0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.94 3hze n THR 15 Cb 0.25 -1.84 -0.14 0.00 -2.10 0.00 0.00 70.33 66.50 3hze n THR 15 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hze h GLU 16 N -0.39 0.21 0.00 -0.78 5.08 -1.35 -3.38 114.58 113.97 3hze h GLU 16 Ca -0.05 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3hze h GLU 16 Cb 0.55 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hze h GLU 16 CO -0.03 1.17 0.00 -1.91 -1.00 0.00 0.00 179.01 177.24 3hze n GLU 17 N -4.05 0.00 -3.58 2.33 4.07 -1.19 -4.67 120.64 113.55 3hze n GLU 17 Ca -0.23 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.47 3hze n GLU 17 Cb 0.84 -0.66 -0.07 0.00 -0.06 0.00 0.00 31.44 31.49 3hze n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3hze s GLU 18 N -0.43 2.97 0.08 5.31 0.41 0.45 -5.02 118.70 122.47 3hze s GLU 18 Ca 0.00 -2.57 -0.30 0.00 -0.41 0.00 0.00 54.97 51.68 3hze s GLU 18 Cb 0.00 -3.98 -0.06 0.00 -1.78 0.00 0.00 34.13 28.31 3hze s GLU 18 CO 0.00 -1.22 1.17 -1.25 -0.49 0.00 0.00 175.26 173.47 3hze s PRO 19 N -0.10 4.47 -0.21 0.39 0.04 -1.26 -4.42 135.00 133.91 3hze s PRO 19 Ca 0.18 1.74 0.15 0.00 0.04 0.00 0.00 61.00 63.11 3hze s PRO 19 Cb -0.16 -3.34 0.74 0.00 0.04 0.00 0.00 34.50 31.78 3hze s PRO 19 CO -0.06 -0.19 1.66 1.28 0.04 0.00 0.00 177.00 179.74 3hze n LEU 20 N 3.65 5.21 0.01 -3.56 4.77 -1.26 -4.65 117.00 121.18 3hze n LEU 20 Ca 0.08 -2.89 -0.10 0.00 -0.03 0.00 0.00 56.01 53.06 3hze n LEU 20 Cb 0.47 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 3hze n LEU 20 CO 0.55 0.66 0.81 -0.08 -1.33 0.00 0.00 177.39 178.00 3hze h GLU 21 N 3.50 -0.10 -0.26 3.23 4.81 -1.91 -1.48 114.58 122.36 3hze h GLU 21 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3hze h GLU 21 Cb 1.80 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 3hze h GLU 21 CO 0.40 -0.07 -0.34 0.93 -0.73 0.00 0.00 179.01 179.21 3hze h GLU 22 N -0.11 0.57 -0.17 1.92 4.39 -1.99 -1.48 114.58 117.71 3hze h GLU 22 Ca 0.06 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.52 3hze h GLU 22 Cb 0.19 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3hze h GLU 22 CO -0.14 0.83 0.05 0.28 -1.16 0.00 0.00 179.01 178.86 3hze h VAL 23 N 0.48 0.94 -0.04 3.13 2.07 -1.82 -0.15 116.25 120.87 3hze h VAL 23 Ca 0.05 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3hze h VAL 23 Cb 0.82 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3hze h VAL 23 CO 0.07 0.02 0.02 -0.26 0.02 0.00 0.00 177.57 177.44 3hze h PHE 24 N 0.12 0.06 -0.81 1.57 -1.00 -1.12 -1.30 116.94 114.46 3hze h PHE 24 Ca 0.08 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 3hze h PHE 24 Cb 0.06 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 3hze h PHE 24 CO -0.12 0.16 0.35 0.00 -1.61 0.00 0.00 178.31 177.09 3hze h ARG 25 N -0.06 1.20 -0.55 1.51 3.08 -1.13 0.82 114.38 119.24 3hze h ARG 25 Ca 0.01 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3hze h ARG 25 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3hze h ARG 25 CO -0.00 0.95 0.04 0.93 -1.07 0.00 0.00 179.97 180.81 3hze h GLU 26 N 1.17 0.95 -0.44 0.04 5.08 -0.96 -1.67 114.58 118.76 3hze h GLU 26 Ca 0.27 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3hze h GLU 26 Cb 0.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hze h GLU 26 CO -0.03 0.94 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.59 3hze h ARG 27 N 0.84 0.94 -0.76 2.33 2.43 -0.91 -1.61 114.38 117.63 3hze h ARG 27 Ca 0.16 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3hze h ARG 27 Cb 0.49 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3hze h ARG 27 CO 0.02 1.09 0.30 1.96 -1.51 0.00 0.00 179.97 181.83 3hze h GLN 28 N 0.77 1.15 -0.64 0.20 4.20 -0.75 -0.49 115.11 119.55 3hze h GLN 28 Ca 0.09 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3hze h GLN 28 Cb 0.82 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3hze h GLN 28 CO 0.07 0.94 0.27 0.00 -0.67 0.00 0.00 178.83 179.44 3hze h ARG 29 N 1.11 0.94 -0.23 1.46 3.08 -1.15 -1.59 114.38 118.00 3hze h ARG 29 Ca 0.25 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3hze h ARG 29 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3hze h ARG 29 CO -0.02 0.78 0.14 1.25 -1.07 0.00 0.00 179.97 181.06 3hze h HIS 30 N 0.89 0.31 -0.61 3.04 2.76 -0.79 -1.25 115.15 119.49 3hze h HIS 30 Ca 0.21 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 3hze h HIS 30 Cb 0.18 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 3hze h HIS 30 CO 0.01 0.23 0.39 1.88 -1.30 0.00 0.00 177.93 179.14 3hze h TYR 31 N 0.29 0.73 -0.62 5.26 -1.99 -0.83 -1.93 116.97 117.90 3hze h TYR 31 Ca 0.08 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.76 3hze h TYR 31 Cb 0.01 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.47 3hze h TYR 31 CO -0.05 0.44 0.08 0.00 -0.00 0.00 0.00 178.16 178.63 3hze h ARG 32 N 0.78 1.03 -0.02 4.88 3.08 -1.07 0.30 114.38 123.36 3hze h ARG 32 Ca 0.24 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3hze h ARG 32 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hze h ARG 32 CO -0.08 0.98 -0.15 0.93 -1.07 0.00 0.00 179.97 180.58 3hze h GLU 33 N 0.94 0.03 -0.03 0.04 5.08 -0.94 -2.12 114.58 117.57 3hze h GLU 33 Ca 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hze h GLU 33 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hze h GLU 33 CO 0.02 0.18 0.00 1.04 -1.00 0.00 0.00 179.01 179.25 3hze n GLN 34 N -4.34 2.21 -2.46 2.33 1.13 -0.75 -4.96 117.38 110.53 3hze n GLN 34 Ca -0.02 -1.75 -0.14 0.00 -1.94 0.00 0.00 57.00 53.14 3hze n GLN 34 Cb 0.23 -1.46 0.01 0.00 0.11 0.00 0.00 30.24 29.12 3hze n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hze n GLY 35 N 1.32 -0.17 3.87 1.08 0.00 0.12 -5.01 105.19 106.41 3hze n GLY 35 Ca 0.15 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.92 3.61 0.05 1.61 1.02 0.81 -5.01 119.74 116.91 3hze s LYS 36 Ca 0.08 0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 3hze s LYS 36 Cb -0.03 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 3hze s LYS 36 CO 0.10 0.70 1.01 -2.00 -0.92 0.00 0.00 175.35 174.23 3hze s GLU 37 N -1.38 4.58 0.18 1.68 2.12 -1.26 -4.40 118.70 120.23 3hze s GLU 37 Ca 0.23 1.48 -0.33 0.00 0.36 0.00 0.00 54.97 56.71 3hze s GLU 37 Cb -0.14 -3.42 -0.13 0.00 0.26 0.00 0.00 34.13 30.71 3hze s GLU 37 CO 0.12 0.00 1.63 -0.89 -0.54 0.00 0.00 175.26 175.58 3hze n ILE 38 N 3.53 0.03 -1.81 -3.70 5.41 -1.26 -4.89 119.36 116.67 3hze n ILE 38 Ca 0.05 -0.01 0.05 0.00 1.00 0.00 0.00 62.75 63.85 3hze n ILE 38 Cb 0.50 -1.72 0.10 0.00 -0.71 0.00 0.00 39.64 37.81 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 3.59 1.31 -3.97 4.38 5.68 -1.26 -5.02 116.55 121.25 3hze n ASP 39 Ca 0.16 -2.81 -0.17 0.00 -0.50 0.00 0.00 54.79 51.47 3hze n ASP 39 Cb 0.31 -0.38 -0.15 0.00 -1.14 0.00 0.00 41.12 39.77 3hze n ASP 39 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3hze s PHE 40 N -1.61 0.59 -0.00 2.11 -0.71 -1.26 -2.17 117.98 114.93 3hze s PHE 40 Ca 0.28 -0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 55.97 3hze s PHE 40 Cb 0.28 -0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.71 3hze s PHE 40 CO -0.06 -0.02 0.17 -1.58 -1.34 0.00 0.00 175.22 172.39 3hze s TRP 41 N -0.09 -0.01 -0.08 3.49 0.51 0.19 -4.98 118.94 117.97 3hze s TRP 41 Ca 0.02 -0.03 -0.20 0.00 -2.12 0.00 0.00 56.10 53.76 3hze s TRP 41 Cb -0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 33.47 32.57 3hze s TRP 41 CO -0.00 -0.29 0.58 -1.17 -0.51 0.00 0.00 176.95 175.56 3hze s LEU 42 N -1.29 4.32 -0.40 2.99 2.96 -1.26 -0.86 118.68 125.13 3hze s LEU 42 Ca -0.14 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3hze s LEU 42 Cb -0.07 -2.88 0.13 0.00 0.50 0.00 0.00 46.19 43.87 3hze s LEU 42 CO 0.02 -0.02 0.21 -0.69 -1.32 0.00 0.00 176.35 174.54 3hze s VAL 43 N 0.54 1.07 0.41 1.68 1.01 0.80 -4.97 120.40 120.93 3hze s VAL 43 Ca 0.31 -2.19 -0.25 0.00 0.00 0.00 0.00 61.98 59.85 3hze s VAL 43 Cb -0.17 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 3hze s VAL 43 CO 0.14 -0.88 1.21 -2.16 0.00 0.00 0.00 175.10 173.42 3hze s PRO 44 N 0.71 3.99 -1.20 2.72 0.04 -1.26 -1.57 135.00 138.42 3hze s PRO 44 Ca 0.16 1.94 -0.32 0.00 0.04 0.00 0.00 61.00 62.82 3hze s PRO 44 Cb -0.23 -2.68 0.04 0.00 0.04 0.00 0.00 34.50 31.67 3hze s PRO 44 CO -0.04 -0.40 0.70 0.39 0.04 0.00 0.00 177.00 177.69 3hze n GLU 45 N 0.04 -0.44 -1.70 4.56 1.02 0.87 -3.90 120.64 121.10 3hze n GLU 45 Ca 0.04 0.15 -0.44 0.00 -0.02 0.00 0.00 57.16 56.89 3hze n GLU 45 Cb 0.46 -2.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.00 3hze n GLU 45 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3hze n PRO 46 N -4.89 2.47 0.04 3.49 -0.04 -1.24 -0.93 135.00 133.90 3hze n PRO 46 Ca -0.11 0.89 -0.03 0.00 -0.04 0.00 0.00 63.50 64.21 3hze n PRO 46 Cb 0.57 -2.67 0.20 0.00 -0.04 0.00 0.00 33.50 31.56 3hze n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hze h ALA 47 N 5.85 1.09 -0.51 0.55 0.00 -1.64 -3.02 119.26 121.57 3hze h ALA 47 Ca -0.45 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 54.21 3hze h ALA 47 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3hze h ALA 47 CO 0.88 0.57 0.36 0.27 0.00 0.00 0.00 179.25 181.33 3hze h PHE 48 N 0.36 0.20 0.00 0.00 -5.15 -1.86 -0.46 116.94 110.03 3hze h PHE 48 Ca 0.05 0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.82 3hze h PHE 48 Cb 0.73 -0.06 -0.00 0.00 0.22 0.00 0.00 35.95 36.84 3hze h PHE 48 CO 0.02 0.09 -0.00 1.25 -2.00 0.00 0.00 178.31 177.67 3hze h LEU 49 N 0.18 0.00 -0.12 2.10 5.85 -1.91 -0.99 115.31 120.42 3hze h LEU 49 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hze h LEU 49 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3hze h LEU 49 CO -0.04 0.00 -0.10 -0.62 -0.34 0.00 0.00 178.44 177.34 3hze n GLU 50 N -3.13 0.47 -2.76 1.25 -0.58 -0.18 -4.63 120.64 111.08 3hze n GLU 50 Ca -0.03 -0.12 -0.37 0.00 -0.42 0.00 0.00 57.16 56.23 3hze n GLU 50 Cb 0.07 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 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 -2.61 4.52 0.60 3.49 -0.21 -0.38 -4.94 119.66 120.13 3hze s GLN 51 Ca 0.25 1.33 0.30 0.00 0.02 0.00 0.00 55.36 57.26 3hze s GLN 51 Cb 0.20 -2.72 1.68 0.00 1.00 0.00 0.00 33.01 33.16 3hze s GLN 51 CO 0.50 0.21 2.06 -1.00 -2.12 0.00 0.00 175.29 174.94 3hze h PRO 52 N 3.00 0.00 0.00 2.91 0.13 -1.89 0.62 132.00 136.77 3hze h PRO 52 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3hze h PRO 52 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hze h PRO 52 CO 0.64 0.00 -0.05 0.37 -0.23 0.00 0.00 178.00 178.73 3hze h GLN 53 N 0.00 0.00 -0.18 0.86 4.15 -1.92 -2.58 115.11 115.45 3hze h GLN 53 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hze h GLN 53 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3hze h GLN 53 CO -0.00 0.05 0.00 1.19 -1.93 0.00 0.00 178.83 178.14 3hze n PHE 54 N -3.39 0.56 -0.25 3.99 3.72 0.21 -4.73 117.46 117.55 3hze n PHE 54 Ca -0.02 -0.85 0.04 0.00 -0.05 0.00 0.00 57.45 56.57 3hze n PHE 54 Cb 0.18 -0.22 0.17 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.18 1.01 0.40 4.37 0.00 -1.43 -0.50 119.26 124.30 3hze h ALA 55 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hze h ALA 55 Cb 1.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3hze h ALA 55 CO 0.12 -0.17 -0.38 1.49 0.00 0.00 0.00 179.25 180.31 3hze h GLU 56 N 0.48 -0.77 -1.00 0.00 4.57 -1.85 -1.00 114.58 115.02 3hze h GLU 56 Ca 0.39 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.63 3hze h GLU 56 Cb 0.54 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 3hze h GLU 56 CO -0.36 -0.51 0.66 1.96 -1.18 0.00 0.00 179.01 179.58 3hze h GLN 57 N -0.79 1.31 -0.75 1.92 4.20 -1.81 -1.65 115.11 117.53 3hze h GLN 57 Ca -0.03 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3hze h GLN 57 Cb 0.70 -0.30 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3hze h GLN 57 CO -0.05 0.87 0.34 -0.22 -0.67 0.00 0.00 178.83 179.09 3hze h LYS 58 N 1.35 1.09 -0.63 1.46 3.64 -0.87 0.98 116.57 123.59 3hze h LYS 58 Ca 0.37 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3hze h LYS 58 Cb -0.15 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.45 3hze h LYS 58 CO -0.08 0.86 0.19 0.00 -2.27 0.00 0.00 179.45 178.15 3hze h ALA 59 N 1.29 0.82 0.00 5.00 0.00 -0.47 -3.06 119.26 122.84 3hze h ALA 59 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hze h ALA 59 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hze h ALA 59 CO -0.03 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.55 3hze h ARG 60 N 0.90 0.00 -5.45 0.00 3.08 -0.76 -3.45 114.38 108.70 3hze h ARG 60 Ca 0.20 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.66 3hze h ARG 60 Cb 0.30 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.24 3hze h ARG 60 CO -0.01 0.16 -0.30 0.00 -1.07 0.00 0.00 179.97 178.76 3hze s PRO 62 N 0.74 4.03 0.04 0.00 0.02 -1.26 -4.88 135.00 133.68 3hze s PRO 62 Ca 0.17 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.40 3hze s PRO 62 Cb -0.14 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 3hze s PRO 62 CO 0.05 -0.45 0.05 -0.65 -0.33 0.00 0.00 177.00 175.67 3hze s GLN 63 N -2.17 2.85 0.46 5.54 -1.52 -1.26 -3.67 119.66 119.89 3hze s GLN 63 Ca 0.55 -0.64 -0.23 0.00 -1.95 0.00 0.00 55.36 53.09 3hze s GLN 63 Cb -0.39 -2.72 -0.08 0.00 -0.22 0.00 0.00 33.01 29.61 3hze s GLN 63 CO 0.50 0.60 1.15 -1.25 -0.25 0.00 0.00 175.29 176.04 3hze s PRO 64 N -2.02 3.79 0.48 2.91 0.04 -1.26 -4.98 135.00 133.96 3hze s PRO 64 Ca 0.25 1.74 0.08 0.00 0.04 0.00 0.00 61.00 63.11 3hze s PRO 64 Cb -0.12 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3hze s PRO 64 CO 0.17 -0.52 0.50 0.00 0.04 0.00 0.00 177.00 177.19 3hze s ALA 65 N -1.57 4.35 -0.07 8.56 0.00 -1.24 -0.58 121.76 131.21 3hze s ALA 65 Ca 0.63 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 3hze s ALA 65 Cb -0.28 -1.14 0.04 0.00 0.00 0.00 0.00 23.12 21.74 3hze s ALA 65 CO 0.34 -0.42 0.39 0.00 0.00 0.00 0.00 175.76 176.07 3hze s ALA 66 N -2.56 -0.99 0.08 0.00 0.00 0.34 -0.09 121.76 118.54 3hze s ALA 66 Ca 0.49 0.77 0.04 0.00 0.00 0.00 0.00 51.96 53.27 3hze s ALA 66 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3hze s ALA 66 CO 0.29 -0.25 -0.12 0.00 0.00 0.00 0.00 175.76 175.69 3hze s ALA 67 N -0.69 1.11 -0.21 0.00 0.00 -0.61 -1.63 121.76 119.72 3hze s ALA 67 Ca -0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 3hze s ALA 67 Cb -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3hze s ALA 67 CO 0.03 0.05 -0.11 0.42 0.00 0.00 0.00 175.76 176.15 3hze s ILE 68 N -1.88 2.67 0.02 0.00 1.09 -0.84 -0.14 121.20 122.11 3hze s ILE 68 Ca 0.01 -0.86 0.07 0.00 -1.10 0.00 0.00 60.65 58.77 3hze s ILE 68 Cb -0.06 -2.24 -0.03 0.00 -1.06 0.00 0.00 42.46 39.07 3hze s ILE 68 CO 0.01 0.39 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.43 3hze s ILE 69 N 1.35 2.74 -0.02 2.92 1.01 -0.04 -2.04 121.20 127.11 3hze s ILE 69 Ca 0.03 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.32 3hze s ILE 69 Cb -0.15 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.26 3hze s ILE 69 CO -0.07 0.40 0.55 -0.55 0.00 0.00 0.00 174.94 175.26 3hze s SER 70 N -1.25 -0.49 0.00 3.58 0.15 -0.48 0.55 113.70 115.77 3hze s SER 70 Ca 0.14 0.44 0.27 0.00 0.70 0.00 0.00 55.95 57.49 3hze s SER 70 Cb -0.10 0.47 1.07 0.00 -1.71 0.00 0.00 66.02 65.74 3hze s SER 70 CO 0.04 -0.59 1.75 0.35 1.20 0.00 0.00 173.24 175.98 3hze n THR 71 N 0.90 0.05 -3.42 6.45 -2.24 -0.92 -1.00 114.28 114.09 3hze n THR 71 Ca -0.20 -0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 3hze n THR 71 Cb 0.57 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.89 6.00 0.36 3.42 3.84 -1.26 -4.89 114.94 120.51 3hze s ASN 72 Ca 0.37 -1.66 0.03 0.00 0.21 0.00 0.00 52.86 51.81 3hze s ASN 72 Cb 0.20 -2.13 0.66 0.00 -0.55 0.00 0.00 41.25 39.44 3hze s ASN 72 CO 0.32 -0.73 2.00 -0.61 -2.79 0.00 0.00 177.10 175.29 3hze h GLN 73 N 8.70 0.75 -0.79 0.43 4.15 -1.95 -2.75 115.11 123.65 3hze h GLN 73 Ca -0.27 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 3hze h GLN 73 Cb 1.09 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.58 3hze h GLN 73 CO 0.92 0.53 0.41 1.96 -1.93 0.00 0.00 178.83 180.72 3hze h GLN 74 N 0.77 1.10 -0.81 1.69 7.50 -1.98 -0.58 115.11 122.80 3hze h GLN 74 Ca 0.20 -0.13 -0.04 0.00 0.50 0.00 0.00 58.65 59.18 3hze h GLN 74 Cb -0.04 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 27.24 3hze h GLN 74 CO -0.04 0.82 0.36 0.35 -1.50 0.00 0.00 178.83 178.82 3hze h PHE 75 N 1.11 1.20 -0.41 2.96 3.57 -1.92 0.59 116.94 124.04 3hze h PHE 75 Ca 0.28 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3hze h PHE 75 Cb 0.05 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 3hze h PHE 75 CO 0.01 0.89 -0.04 0.82 -2.23 0.00 0.00 178.31 177.76 3hze h ILE 76 N 1.17 1.27 -0.50 1.41 1.08 -1.40 -0.90 117.51 119.64 3hze h ILE 76 Ca 0.27 -1.09 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 3hze h ILE 76 Cb 0.17 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3hze h ILE 76 CO -0.03 0.37 0.22 1.56 -0.69 0.00 0.00 178.15 179.58 3hze h GLN 77 N 0.58 0.71 -0.27 2.37 4.20 -0.73 -0.71 115.11 121.25 3hze h GLN 77 Ca 0.11 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3hze h GLN 77 Cb 0.54 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3hze h GLN 77 CO 0.03 0.57 0.06 2.35 -0.67 0.00 0.00 178.83 181.16 3hze h TRP 78 N 0.71 0.47 -0.70 2.96 7.01 -0.53 -2.15 115.95 123.72 3hze h TRP 78 Ca 0.17 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.11 3hze h TRP 78 Cb 0.11 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 3hze h TRP 78 CO 0.01 0.53 0.44 -0.07 -2.79 0.00 0.00 178.44 176.56 3hze h LEU 79 N 0.27 0.83 -0.65 0.65 3.38 -0.38 -1.22 115.31 118.18 3hze h LEU 79 Ca 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hze h LEU 79 Cb 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3hze h LEU 79 CO 0.00 0.62 0.20 0.50 0.09 0.00 0.00 178.44 179.86 3hze h LYS 80 N 0.96 1.01 -0.52 1.13 1.63 -0.89 0.47 116.57 120.36 3hze h LYS 80 Ca 0.26 -0.22 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 3hze h LYS 80 Cb -0.07 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 3hze h LYS 80 CO -0.05 0.88 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.69 3hze h LEU 81 N 0.94 0.93 -0.08 5.20 3.38 -0.78 0.42 115.31 125.32 3hze h LEU 81 Ca 0.21 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hze h LEU 81 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hze h LEU 81 CO -0.01 1.02 -0.16 -0.09 0.09 0.00 0.00 178.44 179.30 3hze h ARG 82 N 0.85 0.25 0.16 1.13 9.65 -0.98 -3.37 114.38 122.06 3hze h ARG 82 Ca 0.14 -0.16 -0.35 0.00 -1.10 0.00 0.00 59.98 58.51 3hze h ARG 82 Cb 0.60 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3hze h ARG 82 CO 0.04 0.75 -1.85 -0.07 2.80 0.00 0.00 179.97 181.64 3hze h LEU 83 N -0.23 0.52 0.00 3.80 3.38 -0.93 -3.48 115.31 118.37 3hze h LEU 83 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3hze h LEU 83 Cb 0.74 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hze h LEU 83 CO 0.04 1.82 0.00 -0.62 0.09 0.00 0.00 178.44 179.76 3hze n GLU 84 N -3.57 0.00 -1.34 1.13 -0.58 0.15 -4.65 120.64 111.78 3hze n GLU 84 Ca -0.28 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.08 3hze n GLU 84 Cb 1.05 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.90 3hze n GLU 84 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hze n TYR 85 N 0.00 2.56 -3.88 -0.32 4.02 -1.26 -4.80 117.16 113.48 3hze n TYR 85 Ca 0.00 -2.64 -0.09 0.00 -0.01 0.00 0.00 57.90 55.16 3hze n TYR 85 Cb 0.00 -2.24 -0.07 0.00 -0.02 0.00 0.00 39.34 37.00 3hze n TYR 85 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hze s VAL 86 N 3.26 0.13 0.05 -0.72 1.01 -1.26 -4.98 120.40 117.88 3hze s VAL 86 Ca 0.54 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3hze s VAL 86 Cb 0.15 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3hze s VAL 86 CO -0.03 -0.58 0.06 0.18 0.00 0.00 0.00 175.10 174.73 3hze n LEU 87 N -0.09 0.00 0.00 3.92 4.77 -0.01 -4.89 117.00 120.69 3hze n LEU 87 Ca -0.13 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3hze n LEU 87 Cb 0.63 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3hze n LEU 87 CO 0.23 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 3hze n GLY 89 N 4.48 -0.17 3.42 -0.72 0.00 -0.62 0.10 105.19 111.68 3hze n GLY 89 Ca 0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.00 1.25 0.17 1.61 -2.07 -1.26 -0.76 119.66 116.60 3hze s GLN 90 Ca 0.00 -0.60 -0.21 0.00 -1.82 0.00 0.00 55.36 52.74 3hze s GLN 90 Cb 0.00 0.55 0.05 0.00 -1.09 0.00 0.00 33.01 32.52 3hze s GLN 90 CO 0.00 -0.53 0.56 -0.59 -1.32 0.00 0.00 175.29 173.41 3hze s PHE 91 N -3.78 -0.38 0.36 9.60 -0.12 -0.13 -4.99 117.98 118.54 3hze s PHE 91 Ca 0.03 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.09 3hze s PHE 91 Cb -0.00 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 3hze s PHE 91 CO -0.11 -0.87 0.26 0.95 -0.05 0.00 0.00 175.22 175.41 3hze s THR 92 N -3.79 3.11 0.42 -4.49 -4.23 -1.26 0.08 115.64 105.47 3hze s THR 92 Ca 0.03 -1.47 0.12 0.00 -1.18 0.00 0.00 61.69 59.19 3hze s THR 92 Cb -0.01 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 71.08 3hze s THR 92 CO -0.10 -0.12 1.96 0.28 -0.54 0.00 0.00 174.62 176.10 3hze h SER 93 N 1.29 0.44 1.40 3.99 0.02 -1.49 -0.85 113.55 118.35 3hze h SER 93 Ca -0.44 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3hze h SER 93 Cb 1.26 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3hze h SER 93 CO 0.60 0.26 0.00 1.05 -1.14 0.00 0.00 176.83 177.60 3hze h GLU 94 N 0.49 0.00 0.00 3.45 9.09 -1.95 -3.22 114.58 122.43 3hze h GLU 94 Ca 0.31 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.45 3hze h GLU 94 Cb 0.55 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.61 3hze h GLU 94 CO -0.10 0.00 -1.65 0.39 0.05 0.00 0.00 179.01 177.71 3hze n GLU 95 N -2.41 0.63 -3.80 1.06 1.02 -0.36 -4.80 120.64 111.99 3hze n GLU 95 Ca 0.05 0.28 -0.28 0.00 -0.02 0.00 0.00 57.16 57.18 3hze n GLU 95 Cb 0.40 -1.80 -0.16 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.67 0.82 0.21 2.62 1.01 -0.96 -5.00 120.40 116.43 3hze s VAL 96 Ca -0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3hze s VAL 96 Cb 0.08 -1.25 0.16 0.00 0.00 0.00 0.00 36.38 35.37 3hze s VAL 96 CO 0.82 -0.17 1.74 1.55 0.00 0.00 0.00 175.10 179.04 3hze h PRO 97 N 8.16 0.38 -2.94 2.72 0.13 -1.87 -3.31 132.00 135.27 3hze h PRO 97 Ca -0.17 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.33 3hze h PRO 97 Cb 1.11 -0.09 -0.41 0.00 0.13 0.00 0.00 31.00 31.74 3hze h PRO 97 CO 0.36 0.25 -0.70 -0.80 -0.23 0.00 0.00 178.00 176.88 3hze s ASN 98 N -5.37 3.78 0.27 1.44 -0.87 -1.26 -5.01 114.94 107.91 3hze s ASN 98 Ca -0.13 -3.33 -0.04 0.00 -1.57 0.00 0.00 52.86 47.79 3hze s ASN 98 Cb 0.18 -1.24 0.54 0.00 -0.02 0.00 0.00 41.25 40.71 3hze s ASN 98 CO 0.75 -0.16 1.62 -0.65 -2.57 0.00 0.00 177.10 176.09 3hze h PRO 99 N 5.85 0.08 -0.62 -0.60 0.11 -1.94 -2.23 132.00 132.65 3hze h PRO 99 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hze h PRO 99 Cb 0.84 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hze h PRO 99 CO 0.59 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.71 3hze n LEU 100 N -5.38 3.52 -4.72 2.35 4.77 -1.26 -4.78 117.00 111.50 3hze n LEU 100 Ca 0.17 -1.76 -0.43 0.00 -0.03 0.00 0.00 56.01 53.96 3hze n LEU 100 Cb 0.57 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3hze n LEU 100 CO 0.01 0.79 1.24 0.00 -1.33 0.00 0.00 177.39 178.10 3hze n ALA 101 N 1.20 2.29 -2.58 -1.18 0.00 -0.84 -4.95 120.51 114.45 3hze n ALA 101 Ca 0.21 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 3hze n ALA 101 Cb 0.59 -2.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.45 3hze n ALA 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hze s SER 102 N 0.71 3.56 -0.06 0.00 0.15 -1.26 -1.69 113.70 115.11 3hze s SER 102 Ca 0.69 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 57.13 3hze s SER 102 Cb -0.54 -0.83 0.50 0.00 -1.71 0.00 0.00 66.02 63.44 3hze s SER 102 CO 0.43 0.29 1.38 0.18 1.20 0.00 0.00 173.24 176.72 3hze n LEU 103 N 2.65 3.31 -4.75 3.45 4.77 -0.10 -4.89 117.00 121.44 3hze n LEU 103 Ca -0.17 -1.67 -0.39 0.00 -0.03 0.00 0.00 56.01 53.75 3hze n LEU 103 Cb 0.52 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3hze n LEU 103 CO 0.25 0.64 1.02 0.00 -1.33 0.00 0.00 177.39 177.97 3hze n ALA 104 N 0.84 1.79 0.00 -1.18 0.00 -1.26 -4.95 120.51 115.75 3hze n ALA 104 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3hze n ALA 104 Cb 0.60 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3hze n ALA 104 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hze n SER 105 N -0.53 1.37 -3.92 0.00 3.41 -1.26 -5.05 113.62 107.63 3hze n SER 105 Ca 0.08 -1.37 -0.10 0.00 -0.26 0.00 0.00 58.87 57.22 3hze n SER 105 Cb 0.43 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 3hze n SER 105 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hze s VAL 106 N -0.37 0.09 -0.20 -3.33 0.11 -1.26 -5.14 120.40 110.30 3hze s VAL 106 Ca 0.00 -0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 3hze s VAL 106 Cb 0.00 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3hze s VAL 106 CO 0.00 -0.40 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.53 3hze s LEU 107 N -1.26 2.75 0.00 2.54 1.43 -1.26 -5.23 118.68 117.66 3hze s LEU 107 Ca -0.14 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3hze s LEU 107 Cb -0.08 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.46 3hze s LEU 107 CO 0.00 0.01 0.00 -0.62 0.23 0.00 0.00 176.35 175.98