#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hej n THR 2 N 0.00 0.00 -1.67 0.00 -2.24 -1.26 -5.02 114.28 104.09 3hej n THR 2 Ca 0.00 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3hej n THR 2 Cb 0.00 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 3hej n THR 2 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hej n SER 3 N -0.38 2.51 -0.36 3.42 2.88 -1.26 -4.86 113.62 115.58 3hej n SER 3 Ca 0.00 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.86 3hej n SER 3 Cb 0.00 -1.44 0.48 0.00 -0.75 0.00 0.00 64.21 62.51 3hej n SER 3 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3hej n THR 4 N 0.71 0.00 0.87 2.46 -2.24 -1.26 -3.24 114.28 111.58 3hej n THR 4 Ca 0.07 -0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 3hej n THR 4 Cb 0.34 0.40 0.11 0.00 -2.10 0.00 0.00 70.33 69.08 3hej n THR 4 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hej n LYS 5 N -0.24 0.09 -4.13 -0.78 5.02 -1.26 -4.96 118.16 111.89 3hej n LYS 5 Ca 0.16 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 3hej n LYS 5 Cb 0.34 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3hej n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hej n LYS 6 N -1.65 0.86 -1.65 1.97 5.02 -1.20 -5.13 118.16 116.38 3hej n LYS 6 Ca 0.04 -3.23 -0.31 0.00 -2.02 0.00 0.00 58.31 52.80 3hej n LYS 6 Cb 0.37 0.71 0.05 0.00 -0.02 0.00 0.00 35.03 36.13 3hej n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hej s LEU 7 N 0.00 3.06 -0.06 -0.35 1.43 -1.26 -4.94 118.68 116.57 3hej s LEU 7 Ca 0.09 1.51 0.04 0.00 -1.03 0.00 0.00 54.13 54.74 3hej s LEU 7 Cb -0.01 -4.38 -0.00 0.00 0.03 0.00 0.00 46.19 41.83 3hej s LEU 7 CO 0.06 -1.39 -0.19 -1.00 0.23 0.00 0.00 176.35 174.05 3hej s HIS 8 N -3.11 1.95 0.08 0.29 3.76 -1.26 -4.95 115.29 112.05 3hej s HIS 8 Ca 0.58 -0.62 -0.20 0.00 -0.15 0.00 0.00 55.06 54.67 3hej s HIS 8 Cb -0.13 -1.31 -0.07 0.00 1.11 0.00 0.00 32.58 32.18 3hej s HIS 8 CO 0.54 -0.22 0.60 0.15 -0.85 0.00 0.00 174.74 174.96 3hej s LYS 9 N 0.11 4.26 0.05 1.40 1.02 -1.26 -5.08 119.74 120.23 3hej s LYS 9 Ca -0.07 0.79 0.07 0.00 0.02 0.00 0.00 55.97 56.78 3hej s LYS 9 Cb -0.13 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3hej s LYS 9 CO 0.04 0.61 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.67 3hej s GLU 10 N -1.06 1.34 0.59 1.68 2.02 -1.26 -5.13 118.70 116.89 3hej s GLU 10 Ca 0.30 -0.94 -0.18 0.00 0.02 0.00 0.00 54.97 54.18 3hej s GLU 10 Cb -0.20 -1.46 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 3hej s GLU 10 CO 0.20 0.37 1.12 -1.25 0.02 0.00 0.00 175.26 175.72 3hej s PRO 11 N -1.21 3.15 0.15 0.39 0.04 -1.26 -5.06 135.00 131.20 3hej s PRO 11 Ca 0.07 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 62.53 3hej s PRO 11 Cb -0.09 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3hej s PRO 11 CO 0.02 -0.99 0.26 0.00 0.04 0.00 0.00 177.00 176.33 3hej s ALA 12 N -2.02 0.01 0.29 8.56 0.00 -1.26 -5.19 121.76 122.14 3hej s ALA 12 Ca 0.70 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3hej s ALA 12 Cb -0.22 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 3hej s ALA 12 CO 0.33 -0.62 0.16 0.95 0.00 0.00 0.00 175.76 176.58 3hej s THR 13 N -3.95 0.26 0.43 0.00 -4.23 -1.26 -5.15 115.64 101.74 3hej s THR 13 Ca 0.16 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 3hej s THR 13 Cb 0.04 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 3hej s THR 13 CO -0.02 0.00 1.01 -0.76 -0.54 0.00 0.00 174.62 174.31 3hej s LEU 14 N -3.34 3.99 0.18 4.79 1.43 -1.26 -5.04 118.68 119.44 3hej s LEU 14 Ca 0.37 1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 3hej s LEU 14 Cb 0.05 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 3hej s LEU 14 CO 0.17 -0.52 1.12 -0.63 0.23 0.00 0.00 176.35 176.73 3hej s ILE 15 N -1.92 3.78 0.25 -0.59 1.01 -1.26 -4.98 121.20 117.49 3hej s ILE 15 Ca 0.62 1.54 -0.31 0.00 0.00 0.00 0.00 60.65 62.50 3hej s ILE 15 Cb -0.16 -3.98 -0.14 0.00 0.01 0.00 0.00 42.46 38.19 3hej s ILE 15 CO 0.20 0.27 1.35 1.17 0.00 0.00 0.00 174.94 177.93 3hej n LYS 16 N 2.34 1.93 -1.54 2.79 4.81 -1.26 -4.95 118.16 122.27 3hej n LYS 16 Ca 0.03 0.68 -0.36 0.00 -0.87 0.00 0.00 58.31 57.79 3hej n LYS 16 Cb 0.46 -2.30 0.08 0.00 0.02 0.00 0.00 35.03 33.29 3hej n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hej n ALA 17 N 1.61 0.62 -1.79 3.14 0.00 -1.26 -4.98 120.51 117.85 3hej n ALA 17 Ca 0.11 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 3hej n ALA 17 Cb 0.31 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 3hej n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hej s ILE 18 N -1.60 4.01 0.70 0.00 -1.09 -1.26 -4.85 121.20 117.11 3hej s ILE 18 Ca 0.79 1.54 -0.11 0.00 -2.23 0.00 0.00 60.65 60.63 3hej s ILE 18 Cb -0.36 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3hej s ILE 18 CO 0.44 0.00 1.07 -1.81 -1.23 0.00 0.00 174.94 173.41 3hej s ASP 19 N -1.69 5.25 0.44 3.58 1.01 -1.26 -4.78 116.67 119.22 3hej s ASP 19 Ca 0.56 1.67 0.19 0.00 0.71 0.00 0.00 52.55 55.67 3hej s ASP 19 Cb -0.19 -2.50 1.04 0.00 1.01 0.00 0.00 42.92 42.29 3hej s ASP 19 CO 0.24 -1.53 1.95 1.23 0.21 0.00 0.00 175.17 177.26 3hej h GLY 20 N -0.71 0.00 -2.08 0.21 0.00 -1.81 -2.44 103.07 96.25 3hej h GLY 20 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3hej h GLY 20 CO 0.56 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.19 3hej n ASP 21 N -3.95 3.08 -4.57 0.19 5.68 -1.26 -4.73 116.55 110.99 3hej n ASP 21 Ca -0.02 -1.97 -0.35 0.00 -0.50 0.00 0.00 54.79 51.95 3hej n ASP 21 Cb 0.31 -0.34 -0.11 0.00 -1.14 0.00 0.00 41.12 39.85 3hej n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hej s THR 22 N -1.32 4.66 -0.17 2.12 2.01 -0.92 -1.21 115.64 120.81 3hej s THR 22 Ca 0.39 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 3hej s THR 22 Cb 0.21 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3hej s THR 22 CO 0.28 0.41 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.86 3hej s VAL 23 N 0.82 1.23 -0.21 3.82 1.01 0.02 -4.75 120.40 122.34 3hej s VAL 23 Ca 0.04 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 3hej s VAL 23 Cb -0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3hej s VAL 23 CO 0.02 0.17 0.26 -0.54 0.00 0.00 0.00 175.10 175.01 3hej s LYS 24 N 1.59 4.16 0.20 2.72 1.02 -1.26 -0.33 119.74 127.83 3hej s LYS 24 Ca 0.01 -0.04 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 3hej s LYS 24 Cb -0.15 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 3hej s LYS 24 CO -0.08 0.10 0.09 -0.51 -0.92 0.00 0.00 175.35 174.04 3hej s LEU 25 N 0.90 1.52 -0.33 3.17 1.43 -0.45 -4.98 118.68 119.94 3hej s LEU 25 Ca 0.13 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.71 3hej s LEU 25 Cb -0.13 0.21 -0.00 0.00 0.03 0.00 0.00 46.19 46.30 3hej s LEU 25 CO 0.04 -0.76 0.60 -0.32 0.23 0.00 0.00 176.35 176.15 3hej s MET 26 N -4.07 3.77 -0.06 1.70 -2.45 -1.26 0.02 119.30 116.94 3hej s MET 26 Ca 0.34 0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.90 3hej s MET 26 Cb 0.07 -3.77 0.02 0.00 1.25 0.00 0.00 34.83 32.40 3hej s MET 26 CO 0.10 -0.64 -0.05 -0.47 1.05 0.00 0.00 175.02 175.01 3hej s TYR 27 N 2.59 0.92 -1.43 4.11 5.04 0.13 -4.83 117.35 123.89 3hej s TYR 27 Ca 0.23 -0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 3hej s TYR 27 Cb -0.15 -0.82 0.00 0.00 0.35 0.00 0.00 41.96 41.34 3hej s TYR 27 CO 0.13 -0.27 0.34 1.63 -1.34 0.00 0.00 175.55 176.04 3hej n LYS 28 N 4.34 -2.70 -0.99 4.97 5.02 -1.26 -2.27 118.16 125.26 3hej n LYS 28 Ca -0.20 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3hej n LYS 28 Cb 0.51 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 3hej n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hej n GLY 29 N -2.11 0.81 2.95 0.72 0.00 -1.26 -5.01 105.19 101.30 3hej n GLY 29 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3hej n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hej s GLN 30 N -0.03 0.23 0.31 1.61 2.00 -0.96 -5.13 119.66 117.68 3hej s GLN 30 Ca 0.00 -0.40 -0.29 0.00 -2.00 0.00 0.00 55.36 52.67 3hej s GLN 30 Cb 0.00 0.01 -0.11 0.00 0.80 0.00 0.00 33.01 33.72 3hej s GLN 30 CO 0.00 -0.02 1.46 -2.14 -0.50 0.00 0.00 175.29 174.09 3hej s PRO 31 N -0.92 4.21 -0.05 1.67 0.02 -1.26 0.20 135.00 138.87 3hej s PRO 31 Ca -0.09 2.41 -0.04 0.00 0.02 0.00 0.00 61.00 63.30 3hej s PRO 31 Cb -0.06 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.43 3hej s PRO 31 CO -0.01 -0.45 0.13 1.41 -0.33 0.00 0.00 177.00 177.76 3hej s MET 32 N -1.10 0.14 -0.20 5.54 1.75 0.10 -4.86 119.30 120.68 3hej s MET 32 Ca 0.57 0.22 -0.17 0.00 -1.25 0.00 0.00 55.69 55.06 3hej s MET 32 Cb -0.44 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.22 3hej s MET 32 CO 0.51 -0.05 0.44 0.99 -0.65 0.00 0.00 175.02 176.26 3hej s THR 33 N 0.28 5.17 0.01 10.11 2.01 -1.26 -1.34 115.64 130.61 3hej s THR 33 Ca -0.02 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.78 3hej s THR 33 Cb -0.03 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3hej s THR 33 CO -0.01 0.23 0.00 -0.36 -0.69 0.00 0.00 174.62 173.79 3hej s PHE 34 N 1.42 3.07 -0.22 4.92 0.40 0.55 -0.89 117.98 127.23 3hej s PHE 34 Ca 0.21 0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.57 3hej s PHE 34 Cb -0.15 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 3hej s PHE 34 CO 0.09 0.46 -0.04 0.50 0.70 0.00 0.00 175.22 176.93 3hej s ARG 35 N -1.63 3.41 0.18 0.44 6.06 0.12 -0.80 118.95 126.73 3hej s ARG 35 Ca 0.20 -0.61 -0.32 0.00 -2.50 0.00 0.00 55.73 52.50 3hej s ARG 35 Cb -0.12 -3.01 -0.12 0.00 0.06 0.00 0.00 34.95 31.76 3hej s ARG 35 CO 0.11 -0.17 1.73 1.28 -2.50 0.00 0.00 175.30 175.76 3hej n LEU 36 N 4.71 3.88 -4.77 -0.88 4.77 -0.35 -2.83 117.00 121.52 3hej n LEU 36 Ca -0.18 1.04 -0.40 0.00 -0.03 0.00 0.00 56.01 56.45 3hej n LEU 36 Cb 0.51 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3hej n LEU 36 CO 0.29 0.11 1.02 -0.76 -1.33 0.00 0.00 177.39 176.73 3hej s LEU 37 N 1.55 4.20 -0.54 2.23 1.43 -0.45 -3.91 118.68 123.19 3hej s LEU 37 Ca 0.78 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 56.67 3hej s LEU 37 Cb -0.53 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 41.82 3hej s LEU 37 CO 0.34 -0.95 0.00 0.18 0.23 0.00 0.00 176.35 176.15 3hej n LEU 38 N 0.08 -0.16 -4.14 1.79 4.77 -1.26 -4.93 117.00 113.16 3hej n LEU 38 Ca 0.04 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 3hej n LEU 38 Cb 0.42 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.92 3hej n LEU 38 CO 0.58 -0.47 -0.38 0.68 -1.33 0.00 0.00 177.39 176.47 3hej s VAL 39 N -1.98 0.53 -0.27 4.08 -7.23 -1.23 -1.89 120.40 112.39 3hej s VAL 39 Ca 0.00 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 3hej s VAL 39 Cb 0.00 -1.61 0.12 0.00 0.56 0.00 0.00 36.38 35.45 3hej s VAL 39 CO 0.00 -0.91 0.24 -0.62 -0.31 0.00 0.00 175.10 173.50 3hej s ASP 40 N -2.98 2.06 0.57 4.85 2.15 0.31 -4.72 116.67 118.90 3hej s ASP 40 Ca 0.10 -0.77 -0.09 0.00 0.43 0.00 0.00 52.55 52.22 3hej s ASP 40 Cb 0.06 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.91 3hej s ASP 40 CO -0.07 -0.39 0.94 0.42 -0.17 0.00 0.00 175.17 175.91 3hej s THR 41 N 2.29 4.77 0.82 1.71 -4.23 -1.26 -1.11 115.64 118.63 3hej s THR 41 Ca 0.09 0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 61.14 3hej s THR 41 Cb -0.15 -3.86 0.09 0.00 1.34 0.00 0.00 72.50 69.92 3hej s THR 41 CO -0.29 -1.02 1.14 -2.84 -0.54 0.00 0.00 174.62 171.07 3hej s PRO 42 N -4.97 1.71 0.67 3.99 0.02 -1.26 -4.97 135.00 130.20 3hej s PRO 42 Ca 0.52 1.48 -0.11 0.00 0.02 0.00 0.00 61.00 62.92 3hej s PRO 42 Cb -0.11 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3hej s PRO 42 CO 0.50 -2.10 1.06 -1.83 -0.33 0.00 0.00 177.00 174.29 3hej s GLU 43 N -4.52 3.14 0.39 5.54 -1.05 -1.26 -4.54 118.70 116.40 3hej s GLU 43 Ca 0.67 0.70 0.11 0.00 -0.15 0.00 0.00 54.97 56.30 3hej s GLU 43 Cb -0.22 -2.03 0.91 0.00 -0.44 0.00 0.00 34.13 32.35 3hej s GLU 43 CO 0.54 -0.89 1.93 0.35 0.95 0.00 0.00 175.26 178.14 3hej h PHE 50 N -0.55 0.63 -0.00 4.83 3.57 -1.89 -0.77 116.94 122.75 3hej h PHE 50 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3hej h PHE 50 Cb 1.22 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3hej h PHE 50 CO 0.59 0.27 -0.02 0.09 -2.23 0.00 0.00 178.31 177.01 3hej n ASN 51 N -4.50 0.35 -4.85 0.41 3.02 -1.26 -3.47 115.26 104.96 3hej n ASN 51 Ca 0.13 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.59 3hej n ASN 51 Cb 0.41 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 3hej n ASN 51 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hej s GLU 52 N -2.17 2.74 0.45 3.52 0.41 -0.29 -5.03 118.70 118.32 3hej s GLU 52 Ca 0.40 -1.28 -0.25 0.00 -0.41 0.00 0.00 54.97 53.43 3hej s GLU 52 Cb 0.21 -2.49 -0.09 0.00 -1.78 0.00 0.00 34.13 29.99 3hej s GLU 52 CO 0.40 0.11 1.33 1.17 -0.49 0.00 0.00 175.26 177.77 3hej n LYS 53 N -1.37 2.00 -0.17 1.61 4.81 -1.26 -1.13 118.16 122.65 3hej n LYS 53 Ca -0.02 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3hej n LYS 53 Cb 0.60 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.17 3hej n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hej n TYR 54 N -0.31 0.00 -0.03 5.64 4.01 -1.26 -4.80 117.16 120.42 3hej n TYR 54 Ca 0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.70 3hej n TYR 54 Cb 0.41 -0.63 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 3hej n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3hej h GLY 55 N 0.00 0.22 1.73 2.72 0.00 -1.24 -0.05 103.07 106.44 3hej h GLY 55 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 3hej h GLY 55 CO 0.00 0.09 -0.26 -2.55 0.00 0.00 0.00 176.54 173.81 3hej h PRO 56 N 0.19 0.32 -0.57 4.80 0.11 -1.74 -1.56 132.00 133.55 3hej h PRO 56 Ca 0.06 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 3hej h PRO 56 Cb 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3hej h PRO 56 CO -0.01 0.57 -0.02 0.93 -0.21 0.00 0.00 178.00 179.25 3hej h GLU 57 N 0.29 1.02 -0.44 1.05 3.07 -1.89 -0.31 114.58 117.37 3hej h GLU 57 Ca 0.04 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 3hej h GLU 57 Cb 0.62 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3hej h GLU 57 CO 0.04 1.02 0.19 0.00 -1.40 0.00 0.00 179.01 178.86 3hej h ALA 58 N 0.96 0.57 -0.38 3.43 0.00 -0.72 -0.86 119.26 122.25 3hej h ALA 58 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hej h ALA 58 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hej h ALA 58 CO 0.03 0.17 0.25 0.77 0.00 0.00 0.00 179.25 180.47 3hej h SER 59 N 0.57 0.45 -0.35 0.00 0.02 -1.13 -1.48 113.55 111.63 3hej h SER 59 Ca 0.15 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3hej h SER 59 Cb 0.17 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3hej h SER 59 CO -0.01 0.34 -0.16 0.00 -1.14 0.00 0.00 176.83 175.85 3hej h ALA 60 N 1.13 0.90 -0.25 3.77 0.00 -0.96 -0.86 119.26 122.98 3hej h ALA 60 Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hej h ALA 60 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hej h ALA 60 CO -0.03 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.24 3hej h PHE 61 N 0.73 0.44 -0.59 0.00 3.04 -0.94 0.44 116.94 120.05 3hej h PHE 61 Ca 0.11 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 3hej h PHE 61 Cb 0.67 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.04 3hej h PHE 61 CO 0.04 0.52 0.36 -0.09 -2.02 0.00 0.00 178.31 177.12 3hej h ARG 62 N 0.22 0.80 -0.71 1.11 1.12 -1.19 -1.54 114.38 114.19 3hej h ARG 62 Ca 0.08 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 3hej h ARG 62 Cb 0.32 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 30.08 3hej h ARG 62 CO 0.00 0.57 0.37 -0.22 -3.11 0.00 0.00 179.97 177.58 3hej h LYS 63 N 0.80 1.01 -0.01 0.20 3.64 -0.85 -0.46 116.57 120.89 3hej h LYS 63 Ca 0.21 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hej h LYS 63 Cb -0.03 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3hej h LYS 63 CO -0.04 0.77 0.00 -0.22 -2.27 0.00 0.00 179.45 177.69 3hej h LYS 64 N 0.99 0.02 -0.01 1.90 3.64 -0.69 0.59 116.57 123.02 3hej h LYS 64 Ca 0.25 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3hej h LYS 64 Cb 0.07 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3hej h LYS 64 CO -0.04 0.26 -0.14 0.52 -2.27 0.00 0.00 179.45 177.79 3hej h MET 65 N -0.22 -0.23 -0.12 1.90 2.86 -1.03 -2.00 114.93 116.09 3hej h MET 65 Ca 0.00 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3hej h MET 65 Cb 0.25 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3hej h MET 65 CO 0.00 -0.15 -0.08 0.28 1.06 0.00 0.00 176.91 178.02 3hej h VAL 66 N -0.23 1.33 0.00 -2.22 2.07 -0.98 -2.93 116.25 113.29 3hej h VAL 66 Ca 0.05 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3hej h VAL 66 Cb 0.30 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3hej h VAL 66 CO -0.14 0.33 -0.09 -0.33 0.02 0.00 0.00 177.57 177.35 3hej h GLU 67 N -0.10 0.00 -0.00 1.57 5.08 -0.88 -2.92 114.58 117.33 3hej h GLU 67 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hej h GLU 67 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3hej h GLU 67 CO 0.02 0.09 -0.33 0.09 -1.00 0.00 0.00 179.01 177.88 3hej n ASN 68 N -3.18 0.74 -4.76 1.42 4.13 -0.75 -4.96 115.26 107.90 3hej n ASN 68 Ca 0.01 -0.57 -0.41 0.00 1.68 0.00 0.00 54.58 55.29 3hej n ASN 68 Cb 0.42 0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.78 3hej n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hej s ALA 69 N -2.71 3.51 0.09 5.41 0.00 -1.10 -4.93 121.76 122.02 3hej s ALA 69 Ca 0.19 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 3hej s ALA 69 Cb 0.19 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 3hej s ALA 69 CO 0.59 -0.57 1.31 0.87 0.00 0.00 0.00 175.76 177.96 3hej h LYS 70 N 4.00 0.71 -3.83 0.00 1.57 -1.92 -3.45 116.57 113.65 3hej h LYS 70 Ca -0.48 -0.52 -0.46 0.00 -1.87 0.00 0.00 60.65 57.32 3hej h LYS 70 Cb 1.22 0.09 -0.38 0.00 0.08 0.00 0.00 32.23 33.24 3hej h LYS 70 CO 0.69 1.14 -0.78 0.21 -0.57 0.00 0.00 179.45 180.15 3hej s LYS 71 N -3.88 0.83 -0.11 3.15 2.20 -1.26 -5.02 119.74 115.65 3hej s LYS 71 Ca -0.11 0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.47 3hej s LYS 71 Cb 0.08 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.23 3hej s LYS 71 CO 0.87 -0.30 0.07 0.42 -0.36 0.00 0.00 175.35 176.05 3hej s ILE 72 N 1.91 4.87 0.11 5.43 1.01 -1.26 -0.95 121.20 132.31 3hej s ILE 72 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3hej s ILE 72 Cb -0.12 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3hej s ILE 72 CO -0.06 0.59 -0.10 -1.61 0.00 0.00 0.00 174.94 173.76 3hej s GLU 73 N -0.77 0.90 -0.03 2.79 2.02 -0.59 -4.98 118.70 118.03 3hej s GLU 73 Ca 0.13 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 53.95 3hej s GLU 73 Cb -0.12 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 3hej s GLU 73 CO 0.03 0.08 -0.22 0.08 0.02 0.00 0.00 175.26 175.24 3hej s VAL 74 N -2.66 1.79 -0.25 2.63 1.01 -1.26 -0.40 120.40 121.25 3hej s VAL 74 Ca 0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3hej s VAL 74 Cb -0.01 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.97 3hej s VAL 74 CO 0.00 0.50 0.18 -0.70 0.00 0.00 0.00 175.10 175.09 3hej s GLU 75 N -0.37 0.20 0.64 2.72 2.12 0.08 -4.99 118.70 119.10 3hej s GLU 75 Ca 0.04 -0.20 -0.14 0.00 0.36 0.00 0.00 54.97 55.03 3hej s GLU 75 Cb -0.10 -1.17 -0.01 0.00 0.26 0.00 0.00 34.13 33.10 3hej s GLU 75 CO 0.01 -0.88 1.07 -0.06 -0.54 0.00 0.00 175.26 174.85 3hej s PHE 76 N 2.22 2.92 0.00 5.30 0.08 -1.26 -0.33 117.98 126.91 3hej s PHE 76 Ca 0.07 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.62 3hej s PHE 76 Cb -0.15 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 3hej s PHE 76 CO -0.26 -1.29 0.00 -3.47 -0.10 0.00 0.00 175.22 170.10 3hej n ASP 77 N -2.47 0.00 0.05 1.36 -0.08 -1.26 -4.89 116.55 109.26 3hej n ASP 77 Ca 0.09 -0.61 0.13 0.00 -1.51 0.00 0.00 54.79 52.88 3hej n ASP 77 Cb 0.53 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.38 3hej n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3hej n LYS 78 N -0.61 0.15 0.00 -0.67 4.76 -1.01 -4.89 118.16 115.89 3hej n LYS 78 Ca 0.00 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3hej n LYS 78 Cb 0.00 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 3hej n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hej n GLY 79 N 1.40 2.50 3.62 0.72 0.00 -0.72 -4.94 105.19 107.77 3hej n GLY 79 Ca 0.05 -1.80 -0.49 0.00 0.00 0.00 0.00 46.02 43.79 3hej n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hej n GLN 80 N 0.00 1.55 0.01 1.61 7.27 -1.26 -4.90 117.38 121.66 3hej n GLN 80 Ca 0.00 0.56 -0.12 0.00 0.07 0.00 0.00 57.00 57.50 3hej n GLN 80 Cb 0.00 -2.21 -0.14 0.00 2.41 0.00 0.00 30.24 30.30 3hej n GLN 80 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3hej h ARG 81 N 4.68 0.10 -4.61 3.69 2.43 -1.92 -3.44 114.38 115.30 3hej h ARG 81 Ca -0.46 -0.17 -0.32 0.00 -0.81 0.00 0.00 59.98 58.22 3hej h ARG 81 Cb 1.31 0.06 -0.24 0.00 -0.42 0.00 0.00 29.97 30.67 3hej h ARG 81 CO 0.79 0.81 -0.75 0.95 -1.51 0.00 0.00 179.97 180.26 3hej s THR 82 N -2.61 0.60 0.62 0.20 -4.23 -1.26 -1.11 115.64 107.85 3hej s THR 82 Ca -0.08 -0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 3hej s THR 82 Cb 0.08 -0.59 0.14 0.00 1.34 0.00 0.00 72.50 73.47 3hej s THR 82 CO 0.82 -0.13 0.84 -0.90 -0.54 0.00 0.00 174.62 174.71 3hej n ASP 83 N 2.08 0.43 0.13 3.99 5.68 -0.42 -4.88 116.55 123.55 3hej n ASP 83 Ca -0.18 -1.53 0.18 0.00 -0.50 0.00 0.00 54.79 52.77 3hej n ASP 83 Cb 0.56 -0.61 0.77 0.00 -1.14 0.00 0.00 41.12 40.70 3hej n ASP 83 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3hej h LYS 84 N 0.00 0.00 -0.35 0.11 1.57 -2.02 -0.70 116.57 115.18 3hej h LYS 84 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3hej h LYS 84 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3hej h LYS 84 CO 0.23 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.77 3hej n TYR 85 N -3.90 0.46 -1.13 -1.35 4.01 -1.26 -4.94 117.16 109.04 3hej n TYR 85 Ca 0.05 -0.23 -0.05 0.00 -0.16 0.00 0.00 57.90 57.51 3hej n TYR 85 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 3hej n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hej n GLY 86 N 1.32 0.73 3.77 2.72 0.00 -0.27 -5.03 105.19 108.44 3hej n GLY 86 Ca 0.18 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 3hej n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hej s ARG 87 N -2.14 4.35 0.10 1.61 0.52 -1.26 -4.80 118.95 117.33 3hej s ARG 87 Ca 0.00 0.85 -0.31 0.00 -0.52 0.00 0.00 55.73 55.75 3hej s ARG 87 Cb 0.00 -3.31 -0.08 0.00 0.52 0.00 0.00 34.95 32.08 3hej s ARG 87 CO 0.00 0.44 1.42 0.20 0.02 0.00 0.00 175.30 177.39 3hej s GLY 88 N -0.50 1.89 -0.48 -3.53 0.00 -0.07 -1.31 107.32 103.33 3hej s GLY 88 Ca 0.32 1.12 -0.16 0.00 0.00 0.00 0.00 44.72 46.00 3hej s GLY 88 CO 0.20 2.42 0.44 1.08 0.00 0.00 0.00 173.10 177.24 3hej s LEU 89 N 1.34 5.44 0.09 0.66 1.43 -0.27 0.16 118.68 127.55 3hej s LEU 89 Ca 0.66 -1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3hej s LEU 89 Cb -0.37 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 3hej s LEU 89 CO 0.30 -0.69 0.12 0.00 0.23 0.00 0.00 176.35 176.31 3hej s ALA 90 N 1.87 0.19 -0.05 4.21 0.00 -1.13 -4.34 121.76 122.51 3hej s ALA 90 Ca 0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 3hej s ALA 90 Cb -0.23 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 3hej s ALA 90 CO 0.08 -0.49 0.39 0.71 0.00 0.00 0.00 175.76 176.46 3hej s TYR 91 N -3.92 3.65 -0.05 0.00 2.02 0.55 -1.34 117.35 118.25 3hej s TYR 91 Ca 0.10 0.90 0.05 0.00 -0.37 0.00 0.00 57.07 57.76 3hej s TYR 91 Cb 0.06 -2.33 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 3hej s TYR 91 CO -0.07 0.51 -0.21 0.42 -1.57 0.00 0.00 175.55 174.63 3hej s ILE 92 N -0.57 2.45 -0.00 2.71 -1.09 -1.26 -0.74 121.20 122.69 3hej s ILE 92 Ca 0.23 -0.93 0.07 0.00 -2.23 0.00 0.00 60.65 57.79 3hej s ILE 92 Cb -0.16 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3hej s ILE 92 CO 0.11 0.57 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.86 3hej s TYR 93 N -0.37 2.43 -0.20 3.97 1.51 0.46 -0.27 117.35 124.88 3hej s TYR 93 Ca 0.03 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3hej s TYR 93 Cb -0.12 -1.49 0.04 0.00 -0.11 0.00 0.00 41.96 40.27 3hej s TYR 93 CO 0.02 0.08 -0.14 0.00 -1.11 0.00 0.00 175.55 174.41 3hej s ALA 94 N -0.73 2.17 -1.44 3.71 0.00 0.68 -1.55 121.76 124.60 3hej s ALA 94 Ca 0.11 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 3hej s ALA 94 Cb -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.76 3hej s ALA 94 CO 0.01 -0.68 0.15 -0.25 0.00 0.00 0.00 175.76 174.99 3hej n ASP 95 N 4.64 -0.21 0.00 0.00 8.00 -0.12 -1.17 116.55 127.69 3hej n ASP 95 Ca -0.17 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.07 3hej n ASP 95 Cb 0.47 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 3hej n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hej n GLY 96 N -2.45 0.96 3.59 0.44 0.00 -1.26 -5.00 105.19 101.47 3hej n GLY 96 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3hej n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hej s LYS 97 N -0.14 3.90 -0.17 1.61 -0.14 -0.32 -5.06 119.74 119.41 3hej s LYS 97 Ca 0.00 -0.38 -0.28 0.00 -1.36 0.00 0.00 55.97 53.95 3hej s LYS 97 Cb 0.00 -3.22 -0.00 0.00 -1.68 0.00 0.00 37.83 32.93 3hej s LYS 97 CO 0.00 0.18 0.97 1.41 -0.76 0.00 0.00 175.35 177.15 3hej s MET 98 N 0.62 4.33 0.23 1.68 1.75 -1.26 -0.23 119.30 126.42 3hej s MET 98 Ca 0.03 1.28 -0.06 0.00 -1.25 0.00 0.00 55.69 55.69 3hej s MET 98 Cb -0.13 -3.59 0.22 0.00 2.84 0.00 0.00 34.83 34.17 3hej s MET 98 CO 0.02 -0.44 1.83 0.28 -0.65 0.00 0.00 175.02 176.06 3hej h VAL 99 N 5.26 1.26 -0.01 10.11 2.07 -1.00 -1.47 116.25 132.47 3hej h VAL 99 Ca -0.26 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3hej h VAL 99 Cb 1.11 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3hej h VAL 99 CO 0.90 0.31 -0.00 0.78 0.02 0.00 0.00 177.57 179.57 3hej h ASN 100 N 1.20 -0.01 -0.47 0.57 -0.26 -1.92 -0.40 115.58 114.29 3hej h ASN 100 Ca 0.29 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.01 3hej h ASN 100 Cb 0.10 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 3hej h ASN 100 CO -0.04 -0.00 0.18 -0.08 -1.06 0.00 0.00 177.43 176.43 3hej h GLU 101 N 0.00 0.70 -0.64 0.81 4.81 -1.89 -2.83 114.58 115.54 3hej h GLU 101 Ca 0.01 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 3hej h GLU 101 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3hej h GLU 101 CO -0.01 0.64 0.18 0.00 -0.73 0.00 0.00 179.01 179.08 3hej h ALA 102 N 1.03 0.84 -0.92 2.92 0.00 -0.93 0.87 119.26 123.07 3hej h ALA 102 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hej h ALA 102 Cb 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3hej h ALA 102 CO -0.01 0.53 0.61 -0.07 0.00 0.00 0.00 179.25 180.31 3hej h LEU 103 N 0.93 1.05 -0.28 0.00 3.38 -0.98 -1.06 115.31 118.35 3hej h LEU 103 Ca 0.20 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3hej h LEU 103 Cb 0.33 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hej h LEU 103 CO -0.00 0.76 -0.30 0.58 0.09 0.00 0.00 178.44 179.57 3hej h VAL 104 N 1.24 1.30 -0.26 1.22 2.07 -1.22 -0.23 116.25 120.38 3hej h VAL 104 Ca 0.34 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3hej h VAL 104 Cb -0.13 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3hej h VAL 104 CO -0.08 0.47 0.16 -0.09 0.02 0.00 0.00 177.57 178.05 3hej h ARG 105 N 0.43 0.34 -0.00 1.57 9.65 -0.49 -0.35 114.38 125.54 3hej h ARG 105 Ca 0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3hej h ARG 105 Cb 0.87 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 3hej h ARG 105 CO 0.07 0.24 -0.05 1.04 2.80 0.00 0.00 179.97 184.07 3hej n GLN 106 N -4.49 0.53 -2.24 0.20 1.13 -0.43 -4.27 117.38 107.80 3hej n GLN 106 Ca 0.01 -0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 54.89 3hej n GLN 106 Cb 0.08 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.93 3hej n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hej n GLY 107 N 1.28 0.02 0.50 1.08 0.00 -0.14 -4.44 105.19 103.49 3hej n GLY 107 Ca 0.14 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3hej n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hej n LEU 108 N -1.41 1.96 -3.70 0.99 4.77 -0.11 -1.50 117.00 118.00 3hej n LEU 108 Ca -0.10 -0.86 -0.14 0.00 -0.03 0.00 0.00 56.01 54.88 3hej n LEU 108 Cb 0.58 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 3hej n LEU 108 CO 0.14 0.36 0.12 0.00 -1.33 0.00 0.00 177.39 176.68 3hej s ALA 109 N -1.70 -1.01 0.16 -1.18 0.00 -1.17 -4.25 121.76 112.60 3hej s ALA 109 Ca 0.16 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.67 3hej s ALA 109 Cb 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3hej s ALA 109 CO 0.33 -0.31 0.30 0.15 0.00 0.00 0.00 175.76 176.22 3hej s LYS 110 N -1.45 3.45 0.22 0.00 1.02 -0.27 -4.38 119.74 118.33 3hej s LYS 110 Ca -0.12 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 3hej s LYS 110 Cb -0.04 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 3hej s LYS 110 CO 0.05 0.51 1.30 0.08 -0.92 0.00 0.00 175.35 176.36 3hej s VAL 111 N -1.77 3.16 0.14 3.17 1.01 -1.26 -0.53 120.40 124.32 3hej s VAL 111 Ca 0.35 0.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 3hej s VAL 111 Cb -0.11 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.71 3hej s VAL 111 CO 0.29 0.16 0.90 0.00 0.00 0.00 0.00 175.10 176.44 3hej s ALA 112 N -0.09 -1.63 -1.30 5.51 0.00 -0.79 -4.84 121.76 118.62 3hej s ALA 112 Ca 0.55 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 3hej s ALA 112 Cb -0.37 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3hej s ALA 112 CO 0.40 -0.95 0.75 0.66 0.00 0.00 0.00 175.76 176.61 3hej n TYR 113 N -0.42 -1.96 -3.06 0.00 4.01 -1.26 -3.58 117.16 110.89 3hej n TYR 113 Ca -0.07 0.86 -0.44 0.00 -0.16 0.00 0.00 57.90 58.09 3hej n TYR 113 Cb 0.61 -4.48 -0.05 0.00 -0.31 0.00 0.00 39.34 35.11 3hej n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hej s VAL 114 N -3.62 4.71 0.04 -0.72 1.01 -1.26 -4.39 120.40 116.17 3hej s VAL 114 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3hej s VAL 114 Cb -0.01 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3hej s VAL 114 CO 0.80 -1.06 -0.20 -0.31 0.00 0.00 0.00 175.10 174.33 3hej s TYR 115 N 3.03 2.50 -0.09 5.22 2.02 -1.26 -5.06 117.35 123.71 3hej s TYR 115 Ca 0.17 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.28 3hej s TYR 115 Cb -0.20 -1.45 -0.14 0.00 -0.40 0.00 0.00 41.96 39.78 3hej s TYR 115 CO 0.10 0.22 0.83 1.17 -1.57 0.00 0.00 175.55 176.31 3hej n LYS 116 N 1.61 0.00 0.00 -0.62 3.00 -1.26 -1.19 118.16 119.71 3hej n LYS 116 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 3hej n LYS 116 Cb 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.52 3hej n LYS 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hej n GLY 117 N 1.48 2.96 2.22 3.14 0.00 -1.26 -4.79 105.19 108.94 3hej n GLY 117 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3hej n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hej n ASN 118 N 0.09 5.35 -1.40 1.61 3.02 -0.33 -1.76 115.26 121.83 3hej n ASN 118 Ca 0.00 -3.75 0.03 0.00 -0.03 0.00 0.00 54.58 50.83 3hej n ASN 118 Cb 0.00 -0.48 0.08 0.00 -0.61 0.00 0.00 39.78 38.76 3hej n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3hej n ASN 119 N -0.67 1.46 -0.34 6.41 6.94 -1.22 -4.49 115.26 123.35 3hej n ASN 119 Ca 0.46 -2.64 -0.01 0.00 -0.02 0.00 0.00 54.58 52.37 3hej n ASN 119 Cb 0.82 -0.39 0.12 0.00 -2.36 0.00 0.00 39.78 37.97 3hej n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3hej h THR 120 N 4.90 1.16 -0.60 5.53 2.02 -1.93 -2.14 112.91 121.86 3hej h THR 120 Ca -0.12 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 3hej h THR 120 Cb 1.56 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3hej h THR 120 CO 0.11 0.21 0.08 1.41 0.37 0.00 0.00 175.52 177.71 3hej n HIS 121 N -4.49 2.11 0.02 3.16 8.25 -1.26 -4.62 115.22 118.38 3hej n HIS 121 Ca 0.12 -0.89 -0.11 0.00 -0.26 0.00 0.00 57.72 56.58 3hej n HIS 121 Cb 0.08 -0.55 -0.04 0.00 1.12 0.00 0.00 29.99 30.60 3hej n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3hej h GLU 122 N 3.41 -0.37 -0.39 -0.41 4.81 -1.76 -2.18 114.58 117.69 3hej h GLU 122 Ca 0.08 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3hej h GLU 122 Cb 2.05 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.50 3hej h GLU 122 CO 0.55 -0.24 -0.05 1.96 -0.73 0.00 0.00 179.01 180.49 3hej h GLN 123 N -0.38 0.65 -0.75 1.92 1.08 -1.83 0.06 115.11 115.86 3hej h GLN 123 Ca 0.09 -0.18 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3hej h GLN 123 Cb 0.51 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 3hej h GLN 123 CO -0.31 0.71 0.44 1.25 -0.95 0.00 0.00 178.83 179.97 3hej h LEU 124 N 0.61 0.68 -0.33 1.46 5.85 -1.87 -0.22 115.31 121.48 3hej h LEU 124 Ca 0.12 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 3hej h LEU 124 Cb 0.46 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3hej h LEU 124 CO 0.02 0.44 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.75 3hej h LEU 125 N 0.81 0.64 -0.99 2.25 4.07 -0.73 -2.25 115.31 119.10 3hej h LEU 125 Ca 0.33 -0.41 -0.09 0.00 0.08 0.00 0.00 57.88 57.78 3hej h LEU 125 Cb 0.18 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3hej h LEU 125 CO -0.18 1.17 -0.29 0.03 -1.08 0.00 0.00 178.44 178.10 3hej h ARG 126 N 0.37 0.38 -0.60 1.13 3.08 -0.67 -0.91 114.38 117.17 3hej h ARG 126 Ca -0.04 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3hej h ARG 126 Cb 1.33 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3hej h ARG 126 CO 0.14 0.63 0.35 -0.22 -1.07 0.00 0.00 179.97 179.80 3hej h LYS 127 N 0.33 0.81 -0.71 0.04 3.64 -0.90 -1.00 116.57 118.79 3hej h LYS 127 Ca 0.05 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3hej h LYS 127 Cb 0.68 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3hej h LYS 127 CO 0.05 0.59 0.24 0.00 -2.27 0.00 0.00 179.45 178.06 3hej h ALA 128 N 1.17 1.07 -0.40 5.00 0.00 -0.98 -2.34 119.26 122.79 3hej h ALA 128 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hej h ALA 128 Cb -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hej h ALA 128 CO -0.04 0.64 -0.05 1.49 0.00 0.00 0.00 179.25 181.28 3hej h GLU 129 N 1.05 0.74 -0.58 0.00 4.81 -0.80 -0.77 114.58 119.03 3hej h GLU 129 Ca 0.23 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3hej h GLU 129 Cb 0.27 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3hej h GLU 129 CO -0.01 0.86 0.28 0.00 -0.73 0.00 0.00 179.01 179.40 3hej h ALA 130 N 0.86 1.39 -0.13 2.92 0.00 -0.92 -0.03 119.26 123.35 3hej h ALA 130 Ca 0.11 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3hej h ALA 130 Cb 0.56 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hej h ALA 130 CO 0.03 0.48 -0.65 0.37 0.00 0.00 0.00 179.25 179.48 3hej h GLN 131 N 0.82 0.67 -0.97 0.00 5.75 -1.18 0.52 115.11 120.73 3hej h GLN 131 Ca 0.20 -0.55 0.03 0.00 -0.15 0.00 0.00 58.65 58.18 3hej h GLN 131 Cb 0.09 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 3hej h GLN 131 CO -0.03 1.16 0.64 0.00 -2.65 0.00 0.00 178.83 177.95 3hej h ALA 132 N 0.52 1.26 -0.35 3.38 0.00 -0.86 -1.43 119.26 121.78 3hej h ALA 132 Ca -0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3hej h ALA 132 Cb 1.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hej h ALA 132 CO 0.13 0.56 -0.35 -0.22 0.00 0.00 0.00 179.25 179.37 3hej h LYS 133 N 1.26 0.86 -0.42 0.00 3.64 -0.78 -1.12 116.57 119.99 3hej h LYS 133 Ca 0.37 -0.45 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3hej h LYS 133 Cb -0.06 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hej h LYS 133 CO -0.11 1.10 0.28 -0.22 -2.27 0.00 0.00 179.45 178.23 3hej h LYS 134 N 0.65 0.48 -0.39 1.90 3.64 -0.63 -0.50 116.57 121.73 3hej h LYS 134 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hej h LYS 134 Cb 0.94 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hej h LYS 134 CO 0.09 0.32 0.00 0.39 -2.27 0.00 0.00 179.45 177.97 3hej n GLU 135 N -4.48 2.08 -4.15 1.90 1.02 -0.56 -4.93 120.64 111.51 3hej n GLU 135 Ca 0.04 -1.65 -0.34 0.00 -0.02 0.00 0.00 57.16 55.18 3hej n GLU 135 Cb 0.12 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3hej n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hej n LYS 136 N 0.85 -3.52 -2.70 3.49 4.76 -0.20 -4.91 118.16 115.93 3hej n LYS 136 Ca 0.17 0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 55.59 3hej n LYS 136 Cb 0.42 -5.09 -0.03 0.00 -1.84 0.00 0.00 35.03 28.48 3hej n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hej s LEU 137 N -7.24 4.35 0.00 -0.35 1.43 -0.55 -3.13 118.68 113.19 3hej s LEU 137 Ca 0.65 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3hej s LEU 137 Cb -0.35 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.30 3hej s LEU 137 CO 0.91 -0.30 0.00 0.59 0.23 0.00 0.00 176.35 177.78 3hej n ASN 138 N 4.12 0.00 0.32 2.29 3.02 -1.26 -0.51 115.26 123.24 3hej n ASN 138 Ca 0.07 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.83 3hej n ASN 138 Cb 0.50 0.00 1.10 0.00 -0.61 0.00 0.00 39.78 40.77 3hej n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3hej h ILE 139 N 0.00 0.00 -0.21 2.41 3.07 -1.58 -0.65 117.51 120.55 3hej h ILE 139 Ca 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3hej h ILE 139 Cb 0.00 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 3hej h ILE 139 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 3hej n TRP 140 N -3.05 0.26 1.67 0.16 7.02 0.34 -5.14 117.44 118.70 3hej n TRP 140 Ca -0.02 -0.13 0.13 0.00 -1.02 0.00 0.00 57.50 56.46 3hej n TRP 140 Cb 0.11 0.00 0.79 0.00 -2.42 0.00 0.00 31.31 29.80 3hej n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54