#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sql s ASP 2 N 0.00 4.26 0.02 1.61 1.01 -1.26 -4.97 116.67 117.34 1sql s ASP 2 Ca 0.00 1.55 -0.28 0.00 0.71 0.00 0.00 52.55 54.53 1sql s ASP 2 Cb 0.00 -2.27 0.08 0.00 1.01 0.00 0.00 42.92 41.74 1sql s ASP 2 CO 0.00 -2.15 0.74 -1.59 0.21 0.00 0.00 175.17 172.38 1sql s LYS 3 N -5.00 1.02 -0.09 8.23 -2.85 -1.25 -2.57 119.74 117.24 1sql s LYS 3 Ca 0.61 -0.13 -0.11 0.00 -1.00 0.00 0.00 55.97 55.34 1sql s LYS 3 Cb -0.16 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1sql s LYS 3 CO 0.56 -0.40 0.27 -0.51 0.10 0.00 0.00 175.35 175.37 1sql s LEU 4 N -2.00 4.38 -0.11 2.77 1.43 -0.12 -4.91 118.68 120.12 1sql s LEU 4 Ca -0.02 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1sql s LEU 4 Cb -0.01 -2.33 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 1sql s LEU 4 CO -0.03 0.30 -0.21 -0.63 0.23 0.00 0.00 176.35 176.01 1sql s ILE 5 N -0.68 2.33 -0.27 -0.59 1.09 -1.26 -0.98 121.20 120.84 1sql s ILE 5 Ca 0.18 -0.92 0.03 0.00 -1.10 0.00 0.00 60.65 58.84 1sql s ILE 5 Cb -0.14 -1.92 0.07 0.00 -1.06 0.00 0.00 42.46 39.41 1sql s ILE 5 CO 0.07 0.55 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.65 1sql s LEU 6 N 0.42 3.50 -0.11 2.97 1.02 0.01 -5.02 118.68 121.48 1sql s LEU 6 Ca -0.15 -1.53 0.01 0.00 0.02 0.00 0.00 54.13 52.48 1sql s LEU 6 Cb -0.17 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.57 1sql s LEU 6 CO 0.07 -0.25 -0.15 -0.75 0.02 0.00 0.00 176.35 175.28 1sql s LYS 7 N 1.14 3.12 -0.82 1.70 2.47 -1.26 -0.52 119.74 125.57 1sql s LYS 7 Ca -0.03 -0.72 -0.03 0.00 -1.56 0.00 0.00 55.97 53.62 1sql s LYS 7 Cb -0.19 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.67 1sql s LYS 7 CO -0.07 0.30 0.46 0.41 0.16 0.00 0.00 175.35 176.61 1sql n GLY 8 N 3.25 0.06 3.72 5.54 0.00 -1.12 -4.99 105.19 111.65 1sql n GLY 8 Ca -0.18 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1sql n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sql s LEU 9 N -4.14 4.38 -0.18 0.99 1.43 0.14 -4.79 118.68 116.50 1sql s LEU 9 Ca 0.23 2.23 -0.01 0.00 -1.03 0.00 0.00 54.13 55.55 1sql s LEU 9 Cb -0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1sql s LEU 9 CO 0.28 -0.57 -0.13 -0.54 0.23 0.00 0.00 176.35 175.62 1sql s LYS 10 N 0.96 3.20 0.03 1.70 1.02 -1.26 0.07 119.74 125.46 1sql s LYS 10 Ca 0.62 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.90 1sql s LYS 10 Cb -0.34 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1sql s LYS 10 CO 0.31 -0.12 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.47 1sql s PHE 11 N 1.17 0.75 -0.18 3.18 0.08 -0.97 -4.98 117.98 117.04 1sql s PHE 11 Ca 0.02 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 1sql s PHE 11 Cb -0.14 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1sql s PHE 11 CO -0.05 -0.03 0.37 -0.47 -0.10 0.00 0.00 175.22 174.94 1sql s TYR 12 N -0.83 3.42 0.05 0.36 6.14 -1.26 -0.60 117.35 124.63 1sql s TYR 12 Ca -0.03 0.64 0.01 0.00 0.64 0.00 0.00 57.07 58.33 1sql s TYR 12 Cb -0.07 -2.46 -0.00 0.00 0.42 0.00 0.00 41.96 39.85 1sql s TYR 12 CO 0.00 0.10 0.03 0.41 0.64 0.00 0.00 175.55 176.73 1sql n GLY 13 N 3.66 3.96 1.54 8.97 0.00 0.88 -4.46 105.19 119.74 1sql n GLY 13 Ca -0.09 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.09 1sql n GLY 13 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sql n PHE 14 N -0.11 0.36 -3.17 1.61 3.01 -1.26 -0.54 117.46 117.36 1sql n PHE 14 Ca -0.00 -1.08 -0.31 0.00 1.01 0.00 0.00 57.45 57.07 1sql n PHE 14 Cb 0.08 -0.20 -0.05 0.00 -0.01 0.00 0.00 39.48 39.31 1sql n PHE 14 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1sql s HIS 15 N -1.52 3.42 0.00 1.38 3.76 -1.26 -4.05 115.29 117.02 1sql s HIS 15 Ca 0.35 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1sql s HIS 15 Cb 0.38 -2.39 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1sql s HIS 15 CO -0.12 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 1sql n GLY 16 N -0.58 3.58 0.07 -2.22 0.00 0.25 -4.64 105.19 101.64 1sql n GLY 16 Ca 0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 1sql n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sql h ALA 17 N 0.00 0.39 -2.60 4.61 0.00 -1.74 -3.37 119.26 116.56 1sql h ALA 17 Ca 0.00 -0.88 -0.54 0.00 0.00 0.00 0.00 54.91 53.49 1sql h ALA 17 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1sql h ALA 17 CO 0.00 1.20 0.21 0.42 0.00 0.00 0.00 179.25 181.08 1sql s ILE 18 N -2.77 4.83 0.20 0.00 1.01 -1.26 -4.97 121.20 118.24 1sql s ILE 18 Ca 0.01 1.73 -0.14 0.00 0.00 0.00 0.00 60.65 62.25 1sql s ILE 18 Cb 0.10 -4.17 0.20 0.00 0.01 0.00 0.00 42.46 38.60 1sql s ILE 18 CO 0.81 0.28 1.64 0.00 0.00 0.00 0.00 174.94 177.67 1sql h ALA 19 N 6.23 0.39 0.00 9.38 0.00 -2.02 -1.56 119.26 131.68 1sql h ALA 19 Ca -0.42 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sql h ALA 19 Cb 1.21 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1sql h ALA 19 CO 0.73 -0.43 -0.05 0.93 0.00 0.00 0.00 179.25 180.43 1sql h GLU 20 N 0.01 0.00 -0.65 0.00 3.07 -1.97 -1.68 114.58 113.37 1sql h GLU 20 Ca 0.28 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.09 1sql h GLU 20 Cb 0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1sql h GLU 20 CO -0.59 0.05 0.20 0.93 -1.40 0.00 0.00 179.01 178.20 1sql h GLU 21 N 0.00 0.99 0.00 2.33 5.08 -1.65 -1.37 114.58 119.96 1sql h GLU 21 Ca -0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1sql h GLU 21 Cb 0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sql h GLU 21 CO 0.01 0.85 -0.15 0.00 -1.00 0.00 0.00 179.01 178.72 1sql h ARG 22 N 0.95 0.00 0.00 2.33 3.08 -1.25 0.39 114.38 119.89 1sql h ARG 22 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1sql h ARG 22 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1sql h ARG 22 CO -0.01 0.15 -1.43 0.25 -1.07 0.00 0.00 179.97 177.86 1sql n THR 23 N -3.43 0.00 -0.11 2.04 -2.24 -1.04 -4.45 114.28 105.05 1sql n THR 23 Ca -0.01 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1sql n THR 23 Cb 0.33 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.96 1sql n THR 23 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1sql n LEU 24 N -1.83 2.08 -0.40 3.22 7.94 -0.54 -5.11 117.00 122.36 1sql n LEU 24 Ca 0.00 -0.09 0.05 0.00 -1.11 0.00 0.00 56.01 54.86 1sql n LEU 24 Cb 0.42 -0.44 -0.01 0.00 0.53 0.00 0.00 43.42 43.91 1sql n LEU 24 CO 0.42 0.77 -0.08 0.61 -1.11 0.00 0.00 177.39 178.00 1sql n GLY 25 N 2.21 -1.52 3.87 -3.96 0.00 0.14 -5.00 105.19 100.91 1sql n GLY 25 Ca -0.39 -1.43 0.01 0.00 0.00 0.00 0.00 46.02 44.21 1sql n GLY 25 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sql s GLN 26 N -1.45 0.60 0.24 1.61 -2.07 0.30 -4.96 119.66 113.92 1sql s GLN 26 Ca 0.00 -0.37 -0.23 0.00 -1.82 0.00 0.00 55.36 52.93 1sql s GLN 26 Cb 0.00 0.17 -0.09 0.00 -1.09 0.00 0.00 33.01 32.01 1sql s GLN 26 CO 0.00 -0.28 0.81 -1.64 -1.32 0.00 0.00 175.29 172.86 1sql s MET 27 N -2.20 4.45 0.05 9.60 -1.94 -1.26 -0.08 119.30 127.92 1sql s MET 27 Ca 0.23 1.10 0.06 0.00 -1.71 0.00 0.00 55.69 55.38 1sql s MET 27 Cb 0.00 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.85 1sql s MET 27 CO -0.00 0.41 -0.18 -0.06 -0.01 0.00 0.00 175.02 175.18 1sql s PHE 28 N -1.44 1.55 -0.16 -0.03 0.40 0.23 -4.36 117.98 114.17 1sql s PHE 28 Ca 0.43 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1sql s PHE 28 Cb -0.19 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1sql s PHE 28 CO 0.24 0.08 -0.04 -1.17 0.70 0.00 0.00 175.22 175.03 1sql s LEU 29 N -1.28 3.19 -0.09 -0.37 2.96 -0.00 -2.29 118.68 120.80 1sql s LEU 29 Ca 0.05 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1sql s LEU 29 Cb -0.09 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1sql s LEU 29 CO 0.02 0.15 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.31 1sql s VAL 30 N 0.50 1.70 -0.06 1.68 1.01 0.11 -1.24 120.40 124.10 1sql s VAL 30 Ca -0.03 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1sql s VAL 30 Cb -0.14 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1sql s VAL 30 CO 0.03 0.48 -0.22 -1.81 0.00 0.00 0.00 175.10 173.58 1sql s ASP 31 N 0.51 2.71 -0.04 3.32 1.01 -0.60 -0.68 116.67 122.90 1sql s ASP 31 Ca -0.16 -0.46 -0.00 0.00 0.71 0.00 0.00 52.55 52.64 1sql s ASP 31 Cb -0.17 -0.90 0.03 0.00 1.01 0.00 0.00 42.92 42.89 1sql s ASP 31 CO 0.06 0.18 0.01 -0.63 0.21 0.00 0.00 175.17 175.00 1sql s ILE 32 N 0.08 0.20 -0.26 0.77 1.01 0.32 -1.02 121.20 122.31 1sql s ILE 32 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1sql s ILE 32 Cb -0.14 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.04 1sql s ILE 32 CO 0.04 0.17 -0.06 -1.81 0.00 0.00 0.00 174.94 173.29 1sql s ASP 33 N 1.32 4.38 -0.32 3.58 -0.00 -0.59 -0.81 116.67 124.23 1sql s ASP 33 Ca -0.05 -0.96 -0.10 0.00 -0.00 0.00 0.00 52.55 51.43 1sql s ASP 33 Cb -0.13 -1.66 -0.01 0.00 -0.00 0.00 0.00 42.92 41.12 1sql s ASP 33 CO -0.02 -0.15 0.18 0.00 -0.00 0.00 0.00 175.17 175.17 1sql s ALA 34 N 1.30 3.33 -0.49 5.23 0.00 -0.15 -1.01 121.76 129.97 1sql s ALA 34 Ca -0.01 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 1sql s ALA 34 Cb -0.17 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1sql s ALA 34 CO -0.04 -0.95 1.21 -1.58 0.00 0.00 0.00 175.76 174.39 1sql s TRP 35 N 1.63 2.69 -0.18 0.00 0.51 0.16 -0.94 118.94 122.81 1sql s TRP 35 Ca 0.05 0.65 -0.15 0.00 -2.12 0.00 0.00 56.10 54.53 1sql s TRP 35 Cb -0.17 -4.43 0.05 0.00 -0.81 0.00 0.00 33.47 28.10 1sql s TRP 35 CO 0.07 -1.47 0.46 0.54 -0.51 0.00 0.00 176.95 176.05 1sql s VAL 36 N 4.77 -0.00 0.19 4.03 0.11 -1.06 0.70 120.40 129.14 1sql s VAL 36 Ca 0.50 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 59.25 1sql s VAL 36 Cb -0.08 -0.65 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 1sql s VAL 36 CO 0.31 0.00 1.42 -0.55 -3.33 0.00 0.00 175.10 172.95 1sql s SER 37 N 0.41 6.74 0.00 3.54 0.15 -1.26 -3.85 113.70 119.43 1sql s SER 37 Ca -0.01 2.51 0.05 0.00 0.70 0.00 0.00 55.95 59.20 1sql s SER 37 Cb -0.04 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1sql s SER 37 CO -0.01 -0.67 0.72 0.18 1.20 0.00 0.00 173.24 174.66 1sql n LEU 38 N 3.05 1.55 -0.10 3.45 4.77 -1.26 -4.75 117.00 123.72 1sql n LEU 38 Ca 0.09 -1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 54.82 1sql n LEU 38 Cb 0.41 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1sql n LEU 38 CO 0.60 0.35 0.96 0.50 -1.33 0.00 0.00 177.39 178.46 1sql h LYS 39 N 0.93 0.44 -0.13 3.23 3.64 -1.94 -0.29 116.57 122.44 1sql h LYS 39 Ca 0.00 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1sql h LYS 39 Cb 0.26 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1sql h LYS 39 CO 0.00 0.36 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.93 1sql h LYS 40 N 0.40 -0.45 -0.31 1.90 3.64 -1.88 -1.02 116.57 118.85 1sql h LYS 40 Ca 0.11 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1sql h LYS 40 Cb 0.04 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1sql h LYS 40 CO -0.02 -0.30 0.07 0.00 -2.27 0.00 0.00 179.45 176.94 1sql h ALA 41 N 0.21 1.54 0.00 5.00 0.00 -1.65 -1.07 119.26 123.29 1sql h ALA 41 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sql h ALA 41 Cb 0.61 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sql h ALA 41 CO -0.39 0.34 -0.06 0.78 0.00 0.00 0.00 179.25 179.92 1sql h GLY 42 N 0.68 0.00 0.00 0.00 0.00 0.18 -0.27 103.07 103.67 1sql h GLY 42 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.18 1sql h GLY 42 CO -0.00 0.00 -2.19 1.18 0.00 0.00 0.00 176.54 175.53 1sql n GLU 43 N -3.31 0.89 -0.03 4.80 1.02 -0.58 -4.60 120.64 118.82 1sql n GLU 43 Ca -0.01 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.95 1sql n GLU 43 Cb 0.24 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 1sql n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1sql n SER 44 N -2.57 1.16 -1.32 1.62 3.41 -0.51 -4.98 113.62 110.42 1sql n SER 44 Ca -0.24 0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1sql n SER 44 Cb 0.97 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 1sql n SER 44 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sql n ASP 45 N -3.13 -4.18 -4.56 4.04 2.03 -0.12 -5.01 116.55 105.62 1sql n ASP 45 Ca -0.25 0.08 -0.33 0.00 0.52 0.00 0.00 54.79 54.82 1sql n ASP 45 Cb 1.06 -3.21 -0.11 0.00 -0.72 0.00 0.00 41.12 38.14 1sql n ASP 45 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1sql s ASN 46 N -2.55 4.48 0.46 1.67 0.02 -1.26 -5.03 114.94 112.72 1sql s ASN 46 Ca 0.00 -0.11 0.12 0.00 -1.02 0.00 0.00 52.86 51.85 1sql s ASN 46 Cb 0.00 -1.05 1.05 0.00 0.02 0.00 0.00 41.25 41.27 1sql s ASN 46 CO 0.00 0.33 2.09 -0.07 0.02 0.00 0.00 177.10 179.47 1sql h LEU 47 N 5.03 0.26 -2.73 0.60 -0.00 -1.95 -2.64 115.31 113.89 1sql h LEU 47 Ca -0.48 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1sql h LEU 47 Cb 1.17 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1sql h LEU 47 CO 0.52 0.19 -0.00 1.05 -0.00 0.00 0.00 178.44 180.19 1sql h GLU 48 N 0.31 0.00 -0.25 1.13 4.11 -2.02 -2.63 114.58 115.23 1sql h GLU 48 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1sql h GLU 48 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sql h GLU 48 CO -0.02 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.81 1sql n ASP 49 N -3.14 1.64 -2.97 3.06 8.00 -0.99 -4.91 116.55 117.23 1sql n ASP 49 Ca -0.02 -1.86 -0.14 0.00 0.71 0.00 0.00 54.79 53.47 1sql n ASP 49 Cb 0.11 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1sql n ASP 49 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1sql n THR 50 N 0.35 0.00 -4.56 -3.53 5.66 -0.99 -3.92 114.28 107.30 1sql n THR 50 Ca 0.13 -1.72 -0.31 0.00 -3.05 0.00 0.00 64.05 59.11 1sql n THR 50 Cb 0.29 1.08 -0.12 0.00 -1.55 0.00 0.00 70.33 70.03 1sql n THR 50 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1sql s ILE 51 N -2.77 2.95 0.01 1.09 -0.00 -1.26 -4.99 121.20 116.23 1sql s ILE 51 Ca 0.28 -1.18 -0.30 0.00 -0.00 0.00 0.00 60.65 59.45 1sql s ILE 51 Cb -0.01 -2.27 -0.05 0.00 -0.00 0.00 0.00 42.46 40.13 1sql s ILE 51 CO 0.20 0.30 1.26 -0.55 -0.00 0.00 0.00 174.94 176.15 1sql s SER 52 N -1.57 7.00 0.46 4.36 0.15 -1.26 -4.89 113.70 117.95 1sql s SER 52 Ca 0.16 1.99 0.31 0.00 0.70 0.00 0.00 55.95 59.11 1sql s SER 52 Cb -0.11 -2.57 1.25 0.00 -1.71 0.00 0.00 66.02 62.89 1sql s SER 52 CO 0.07 -0.58 1.90 0.10 1.20 0.00 0.00 173.24 175.94 1sql h TYR 53 N 7.25 0.00 0.00 3.44 -0.00 -1.99 -1.10 116.97 124.57 1sql h TYR 53 Ca -0.38 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.25 1sql h TYR 53 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.91 1sql h TYR 53 CO 0.71 0.00 -0.44 0.28 -0.00 0.00 0.00 178.16 178.71 1sql h VAL 54 N 0.00 1.26 -0.18 -0.90 2.07 -1.99 0.20 116.25 116.70 1sql h VAL 54 Ca 0.00 -1.52 -0.19 0.00 0.82 0.00 0.00 66.70 65.81 1sql h VAL 54 Cb 0.47 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1sql h VAL 54 CO 0.00 0.43 -0.65 0.44 0.02 0.00 0.00 177.57 177.81 1sql h ASP 55 N 0.00 0.78 -0.27 0.57 3.45 -1.59 -1.68 116.42 117.67 1sql h ASP 55 Ca -0.00 -0.46 -0.13 0.00 0.43 0.00 0.00 57.03 56.86 1sql h ASP 55 Cb 0.80 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 1sql h ASP 55 CO 0.06 1.22 -0.31 0.40 -1.57 0.00 0.00 179.24 179.04 1sql h ILE 56 N 0.50 1.28 -0.14 0.35 2.04 -1.24 -2.39 117.51 117.91 1sql h ILE 56 Ca -0.01 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1sql h ILE 56 Cb 1.24 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1sql h ILE 56 CO 0.13 0.48 0.09 0.15 0.00 0.00 0.00 178.15 179.00 1sql h PHE 57 N 0.66 0.16 -0.82 1.37 3.57 -0.50 -2.61 116.94 118.78 1sql h PHE 57 Ca 0.07 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1sql h PHE 57 Cb 0.85 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1sql h PHE 57 CO 0.05 0.10 0.35 0.77 -2.23 0.00 0.00 178.31 177.35 1sql h SER 58 N 0.18 1.11 -0.30 0.41 0.02 -1.25 -1.61 113.55 112.11 1sql h SER 58 Ca 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1sql h SER 58 Cb -0.02 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 1sql h SER 58 CO -0.02 0.97 0.16 0.25 -1.14 0.00 0.00 176.83 177.05 1sql h LEU 59 N 1.18 0.38 -0.28 5.07 5.85 -1.29 -1.58 115.31 124.65 1sql h LEU 59 Ca 0.28 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1sql h LEU 59 Cb 0.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1sql h LEU 59 CO -0.03 0.37 0.11 0.00 -0.34 0.00 0.00 178.44 178.56 1sql h ALA 60 N 1.02 0.36 -0.34 1.25 0.00 -1.33 -2.32 119.26 117.91 1sql h ALA 60 Ca 0.10 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1sql h ALA 60 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1sql h ALA 60 CO -0.02 -0.04 0.00 -0.22 0.00 0.00 0.00 179.25 178.97 1sql h LYS 61 N 0.30 0.10 -0.85 0.00 3.64 -1.19 0.16 116.57 118.72 1sql h LYS 61 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1sql h LYS 61 Cb 0.18 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1sql h LYS 61 CO -0.01 0.06 0.50 1.49 -2.27 0.00 0.00 179.45 179.23 1sql h GLU 62 N 0.10 1.16 0.18 1.90 4.81 -1.14 0.12 114.58 121.71 1sql h GLU 62 Ca 0.16 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1sql h GLU 62 Cb 0.22 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1sql h GLU 62 CO -0.27 0.82 -0.09 0.82 -0.73 0.00 0.00 179.01 179.56 1sql h ILE 63 N 1.18 0.90 -0.63 2.32 2.04 -0.80 -0.98 117.51 121.54 1sql h ILE 63 Ca 0.30 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1sql h ILE 63 Cb -0.04 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1sql h ILE 63 CO -0.06 0.20 0.41 0.58 0.00 0.00 0.00 178.15 179.29 1sql h VAL 64 N -0.74 1.05 -0.01 1.67 2.07 -0.57 0.14 116.25 119.84 1sql h VAL 64 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1sql h VAL 64 Cb 0.51 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1sql h VAL 64 CO 0.04 0.12 -0.02 -0.62 0.02 0.00 0.00 177.57 177.12 1sql n GLU 65 N -4.47 1.50 0.00 1.57 1.02 0.02 -4.39 120.64 115.88 1sql n GLU 65 Ca 0.08 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 1sql n GLU 65 Cb 0.18 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1sql n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sql n GLY 66 N 1.17 -0.59 3.65 0.62 0.00 0.48 -4.91 105.19 105.60 1sql n GLY 66 Ca 0.19 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 1sql n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sql n SER 67 N 0.00 2.13 -4.74 1.61 7.64 -1.26 -4.74 113.62 114.25 1sql n SER 67 Ca 0.00 1.19 -0.41 0.00 1.01 0.00 0.00 58.87 60.65 1sql n SER 67 Cb 0.00 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 61.78 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sql s PRO 68 N -1.57 4.28 0.13 1.43 0.04 -1.26 -4.92 135.00 133.13 1sql s PRO 68 Ca 0.58 2.27 0.10 0.00 0.04 0.00 0.00 61.00 63.99 1sql s PRO 68 Cb -0.64 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1sql s PRO 68 CO 0.60 -0.41 -0.25 1.03 0.04 0.00 0.00 177.00 178.01 1sql s ARG 69 N -0.23 1.35 0.12 4.56 1.81 -1.26 -4.97 118.95 120.33 1sql s ARG 69 Ca 0.60 -1.33 -0.12 0.00 -1.72 0.00 0.00 55.73 53.16 1sql s ARG 69 Cb -0.41 -1.77 -0.11 0.00 -0.45 0.00 0.00 34.95 32.22 1sql s ARG 69 CO 0.42 0.41 1.38 -0.91 -0.68 0.00 0.00 175.30 175.91 1sql h ASN 70 N 3.83 0.98 -3.19 0.23 2.35 -1.94 0.73 115.58 118.57 1sql h ASN 70 Ca -0.49 -0.56 -0.63 0.00 -0.55 0.00 0.00 56.30 54.07 1sql h ASN 70 Cb 1.18 -0.28 -0.13 0.00 0.05 0.00 0.00 38.32 39.13 1sql h ASN 70 CO 0.40 1.36 -0.69 -0.76 -1.65 0.00 0.00 177.43 176.09 1sql s LEU 71 N -8.62 3.21 0.22 1.61 1.43 -1.26 -2.22 118.68 113.06 1sql s LEU 71 Ca -0.11 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1sql s LEU 71 Cb 0.10 -1.93 0.22 0.00 0.03 0.00 0.00 46.19 44.61 1sql s LEU 71 CO 0.90 0.13 1.65 -0.07 0.23 0.00 0.00 176.35 179.19 1sql h LEU 72 N 3.13 0.75 -0.73 1.79 3.38 -1.96 -2.90 115.31 118.77 1sql h LEU 72 Ca -0.48 -0.26 0.15 0.00 0.09 0.00 0.00 57.88 57.38 1sql h LEU 72 Cb 1.18 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 1sql h LEU 72 CO 0.56 0.95 0.24 -0.33 0.09 0.00 0.00 178.44 179.95 1sql h GLU 73 N 0.65 0.34 -0.58 1.13 3.07 -1.95 0.51 114.58 117.77 1sql h GLU 73 Ca 0.09 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1sql h GLU 73 Cb 0.71 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1sql h GLU 73 CO 0.05 0.23 0.20 1.15 -1.40 0.00 0.00 179.01 179.24 1sql h THR 74 N 0.35 1.23 -0.05 1.13 2.02 -1.94 -0.03 112.91 115.63 1sql h THR 74 Ca 0.41 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1sql h THR 74 Cb 0.66 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1sql h THR 74 CO -0.45 0.29 0.00 0.58 0.37 0.00 0.00 175.52 176.31 1sql h VAL 75 N 0.80 1.24 -0.31 3.16 2.07 -1.22 -1.16 116.25 120.84 1sql h VAL 75 Ca 0.19 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1sql h VAL 75 Cb 0.25 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1sql h VAL 75 CO -0.01 0.20 0.20 0.00 0.02 0.00 0.00 177.57 177.99 1sql h ALA 76 N 0.73 0.39 -0.58 1.67 0.00 -0.89 -0.60 119.26 119.98 1sql h ALA 76 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1sql h ALA 76 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1sql h ALA 76 CO 0.00 -0.14 0.38 1.49 0.00 0.00 0.00 179.25 180.98 1sql h GLU 77 N 0.42 0.63 -0.19 0.00 4.57 -0.95 0.35 114.58 119.41 1sql h GLU 77 Ca 0.11 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1sql h GLU 77 Cb -0.05 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1sql h GLU 77 CO -0.02 0.42 -0.12 1.25 -1.18 0.00 0.00 179.01 179.35 1sql h LEU 78 N 0.65 0.44 -0.17 1.64 5.85 -0.32 -1.40 115.31 122.00 1sql h LEU 78 Ca 0.23 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1sql h LEU 78 Cb 0.12 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1sql h LEU 78 CO -0.06 0.78 0.06 0.40 -0.34 0.00 0.00 178.44 179.27 1sql h ILE 79 N 0.10 0.95 0.80 4.05 2.04 -0.30 0.17 117.51 125.31 1sql h ILE 79 Ca 0.04 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1sql h ILE 79 Cb 0.63 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1sql h ILE 79 CO 0.03 0.03 -0.48 0.00 0.00 0.00 0.00 178.15 177.73 1sql h ALA 80 N 1.11 -1.28 -0.81 1.87 0.00 -0.93 0.38 119.26 119.61 1sql h ALA 80 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1sql h ALA 80 Cb 0.05 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1sql h ALA 80 CO -0.08 -1.23 0.50 0.66 0.00 0.00 0.00 179.25 179.10 1sql h SER 81 N -1.20 0.80 -0.64 0.00 4.64 -1.18 -1.62 113.55 114.36 1sql h SER 81 Ca -0.11 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 1sql h SER 81 Cb 0.96 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 1sql h SER 81 CO 0.11 0.53 0.19 0.11 -0.87 0.00 0.00 176.83 176.90 1sql h LYS 82 N 0.94 1.02 -0.10 4.77 6.56 -0.56 -1.32 116.57 127.88 1sql h LYS 82 Ca 0.34 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.70 1sql h LYS 82 Cb 0.11 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1sql h LYS 82 CO -0.15 0.89 -0.01 1.15 -2.06 0.00 0.00 179.45 179.27 1sql h THR 83 N 0.98 1.26 -0.88 -0.16 2.02 -0.33 0.77 112.91 116.58 1sql h THR 83 Ca 0.21 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1sql h THR 83 Cb 0.31 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1sql h THR 83 CO -0.00 0.24 0.47 -0.07 0.37 0.00 0.00 175.52 176.52 1sql h LEU 84 N -0.11 1.11 -0.49 2.58 3.38 -1.25 -1.16 115.31 119.37 1sql h LEU 84 Ca 0.03 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1sql h LEU 84 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1sql h LEU 84 CO 0.01 0.91 -0.01 -0.08 0.09 0.00 0.00 178.44 179.35 1sql h GLU 85 N 1.24 0.87 -0.11 1.13 4.81 -1.09 -3.21 114.58 118.22 1sql h GLU 85 Ca 0.31 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1sql h GLU 85 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1sql h GLU 85 CO -0.05 0.91 -0.55 -0.22 -0.73 0.00 0.00 179.01 178.37 1sql h LYS 86 N 0.72 0.34 -4.05 1.92 1.63 -0.51 -3.41 116.57 113.21 1sql h LYS 86 Ca 0.14 -0.21 -0.61 0.00 -0.85 0.00 0.00 60.65 59.12 1sql h LYS 86 Cb 0.52 0.02 -0.40 0.00 -0.60 0.00 0.00 32.23 31.78 1sql h LYS 86 CO 0.03 0.80 -0.75 -0.06 -3.45 0.00 0.00 179.45 176.02 1sql s PHE 87 N -3.90 2.48 0.54 1.91 0.08 -0.47 -4.97 117.98 113.65 1sql s PHE 87 Ca -0.05 -2.14 0.28 0.00 0.12 0.00 0.00 56.93 55.14 1sql s PHE 87 Cb 0.12 -2.08 1.68 0.00 -0.57 0.00 0.00 43.02 42.16 1sql s PHE 87 CO 0.81 -0.88 2.20 1.12 -0.10 0.00 0.00 175.22 178.37 1sql h HIS 88 N 7.91 0.00 0.00 0.36 2.07 -1.81 -1.45 115.15 122.23 1sql h HIS 88 Ca -0.11 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.39 1sql h HIS 88 Cb 1.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.00 1sql h HIS 88 CO 0.41 0.03 -0.10 1.96 -3.07 0.00 0.00 177.93 177.16 1sql h GLN 89 N 0.00 0.00 -6.73 5.12 7.50 -1.93 -3.43 115.11 115.64 1sql h GLN 89 Ca -0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 1sql h GLN 89 Cb 0.09 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.64 1sql h GLN 89 CO 0.00 0.10 0.54 0.42 -1.50 0.00 0.00 178.83 178.39 1sql s ILE 90 N -4.09 3.47 -0.08 2.54 -1.09 -0.55 -4.64 121.20 116.76 1sql s ILE 90 Ca -0.02 1.33 0.14 0.00 -2.23 0.00 0.00 60.65 59.87 1sql s ILE 90 Cb 0.12 -3.85 -0.21 0.00 -1.58 0.00 0.00 42.46 36.95 1sql s ILE 90 CO 0.57 0.26 0.19 0.59 -1.23 0.00 0.00 174.94 175.32 1sql n ASN 91 N 1.93 1.46 -3.55 3.58 3.02 0.22 -4.86 115.26 117.06 1sql n ASN 91 Ca 0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.42 1sql n ASN 91 Cb 0.44 1.27 -0.06 0.00 -0.61 0.00 0.00 39.78 40.83 1sql n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sql s ALA 92 N -2.70 -1.83 -0.05 5.41 0.00 -1.21 -1.76 121.76 119.61 1sql s ALA 92 Ca -0.06 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1sql s ALA 92 Cb 0.07 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1sql s ALA 92 CO 0.62 -0.34 -0.09 0.08 0.00 0.00 0.00 175.76 176.02 1sql s VAL 93 N -1.04 0.91 -0.22 0.00 1.01 -0.51 0.36 120.40 120.92 1sql s VAL 93 Ca -0.07 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1sql s VAL 93 Cb -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1sql s VAL 93 CO 0.06 0.30 -0.00 -0.60 0.00 0.00 0.00 175.10 174.86 1sql s ARG 94 N 0.69 3.52 -0.13 2.72 3.00 -0.18 -1.56 118.95 127.02 1sql s ARG 94 Ca -0.13 -0.56 0.02 0.00 -1.00 0.00 0.00 55.73 54.06 1sql s ARG 94 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 34.95 31.72 1sql s ARG 94 CO 0.02 -0.11 -0.19 0.08 0.00 0.00 0.00 175.30 175.10 1sql s VAL 95 N 1.32 1.81 -0.25 7.11 1.01 -0.02 -1.54 120.40 129.83 1sql s VAL 95 Ca 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1sql s VAL 95 Cb -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1sql s VAL 95 CO 0.00 0.50 -0.02 -0.54 0.00 0.00 0.00 175.10 175.04 1sql s LYS 96 N 0.97 3.05 -0.14 2.72 1.02 -0.19 -1.17 119.74 126.00 1sql s LYS 96 Ca -0.05 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1sql s LYS 96 Cb -0.15 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1sql s LYS 96 CO -0.03 -0.36 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.66 1sql s LEU 97 N 1.41 2.07 0.16 3.17 1.98 -0.43 -1.56 118.68 125.49 1sql s LEU 97 Ca 0.02 -0.59 0.02 0.00 -2.89 0.00 0.00 54.13 50.69 1sql s LEU 97 Cb -0.16 -1.42 -0.05 0.00 0.66 0.00 0.00 46.19 45.23 1sql s LEU 97 CO -0.02 0.06 -0.02 -0.44 -1.89 0.00 0.00 176.35 174.03 1sql s SER 98 N 0.92 1.27 -0.21 3.68 0.01 -0.37 -0.33 113.70 118.66 1sql s SER 98 Ca -0.05 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1sql s SER 98 Cb -0.15 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.21 1sql s SER 98 CO -0.04 -0.52 -0.14 -0.54 0.41 0.00 0.00 173.24 172.41 1sql s LYS 99 N -3.88 2.85 0.41 12.44 1.02 -0.20 -0.82 119.74 131.55 1sql s LYS 99 Ca 0.21 -0.94 0.22 0.00 0.02 0.00 0.00 55.97 55.48 1sql s LYS 99 Cb 0.06 -2.76 0.40 0.00 -0.52 0.00 0.00 37.83 35.00 1sql s LYS 99 CO 0.02 -0.32 1.61 -1.35 -0.92 0.00 0.00 175.35 174.39 1sql h PRO 100 N 7.94 0.00 -3.60 -1.68 0.11 -1.79 -2.41 132.00 130.57 1sql h PRO 100 Ca -0.38 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.11 1sql h PRO 100 Cb 1.12 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 1sql h PRO 100 CO 0.59 0.15 -0.70 -0.80 -0.21 0.00 0.00 178.00 177.03 1sql s ASN 101 N -6.23 4.19 -0.21 -2.05 0.01 -1.26 -4.68 114.94 104.71 1sql s ASN 101 Ca 0.05 -2.50 -0.19 0.00 -0.71 0.00 0.00 52.86 49.51 1sql s ASN 101 Cb 0.06 -1.35 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 1sql s ASN 101 CO 0.68 -0.30 0.55 -0.69 -1.51 0.00 0.00 177.10 175.83 1sql s VAL 102 N 0.46 5.07 0.46 1.60 1.01 -1.26 -4.97 120.40 122.77 1sql s VAL 102 Ca 0.15 1.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.90 1sql s VAL 102 Cb -0.23 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1sql s VAL 102 CO -0.05 0.15 1.35 0.00 0.00 0.00 0.00 175.10 176.54 1sql n ALA 103 N 4.95 1.65 -0.56 5.51 0.00 -1.26 -2.49 120.51 128.32 1sql n ALA 103 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1sql n ALA 103 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1sql n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sql n LEU 104 N -0.22 0.24 -4.56 0.00 4.77 -1.26 -4.96 117.00 111.00 1sql n LEU 104 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1sql n LEU 104 Cb 0.42 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1sql n LEU 104 CO 0.58 -0.12 0.40 -0.63 -1.33 0.00 0.00 177.39 176.28 1sql s ILE 105 N -2.74 4.87 -1.09 -0.08 1.01 -1.04 -4.92 121.20 117.21 1sql s ILE 105 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 60.65 61.30 1sql s ILE 105 Cb 0.00 -4.10 0.47 0.00 0.01 0.00 0.00 42.46 38.84 1sql s ILE 105 CO 0.00 -0.36 1.29 0.29 0.00 0.00 0.00 174.94 176.16 1sql n LYS 106 N 6.10 2.89 -4.27 2.79 5.02 -1.26 -4.91 118.16 124.51 1sql n LYS 106 Ca -0.01 -1.82 -0.15 0.00 -2.02 0.00 0.00 58.31 54.31 1sql n LYS 106 Cb 0.48 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1sql n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sql s SER 107 N -0.67 1.39 0.29 4.39 1.04 -1.26 -5.14 113.70 113.74 1sql s SER 107 Ca 0.32 -1.20 -0.29 0.00 0.48 0.00 0.00 55.95 55.26 1sql s SER 107 Cb 0.22 0.09 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1sql s SER 107 CO 0.14 -0.57 1.23 -0.89 0.98 0.00 0.00 173.24 174.13 1sql s THR 108 N -3.60 3.08 0.20 2.02 2.01 -1.26 -5.04 115.64 113.06 1sql s THR 108 Ca 0.26 1.06 -0.14 0.00 0.31 0.00 0.00 61.69 63.18 1sql s THR 108 Cb 0.06 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1sql s THR 108 CO 0.06 0.24 0.46 0.27 -0.69 0.00 0.00 174.62 174.96 1sql s ILE 109 N -0.97 0.03 -0.04 1.82 -0.00 -1.26 -5.07 121.20 115.70 1sql s ILE 109 Ca 0.48 -1.09 -0.01 0.00 -0.00 0.00 0.00 60.65 60.04 1sql s ILE 109 Cb -0.36 -1.81 -0.00 0.00 -0.00 0.00 0.00 42.46 40.28 1sql s ILE 109 CO 0.46 -0.13 0.05 0.44 -0.00 0.00 0.00 174.94 175.77 1sql h ASP 110 N 2.29 -0.02 -5.14 4.36 5.19 -1.95 -3.50 116.42 117.64 1sql h ASP 110 Ca -0.28 0.00 0.28 0.00 -0.62 0.00 0.00 57.03 56.41 1sql h ASP 110 Cb 1.25 0.01 -0.14 0.00 0.18 0.00 0.00 39.33 40.62 1sql h ASP 110 CO 0.39 0.21 0.79 -0.72 -3.12 0.00 0.00 179.24 176.78 1sql s TYR 111 N -1.38 -0.09 -0.06 4.55 -0.85 -1.26 -4.51 117.35 113.73 1sql s TYR 111 Ca -0.00 -0.01 0.04 0.00 -0.52 0.00 0.00 57.07 56.57 1sql s TYR 111 Cb 0.00 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.88 1sql s TYR 111 CO 0.01 -0.30 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.06 1sql s LEU 112 N -2.67 1.87 0.00 -3.49 1.43 -0.91 -4.94 118.68 109.98 1sql s LEU 112 Ca 0.12 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1sql s LEU 112 Cb 0.02 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1sql s LEU 112 CO -0.04 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1sql n GLY 113 N 3.45 2.40 3.46 -3.19 0.00 -1.26 -1.04 105.19 109.01 1sql n GLY 113 Ca -0.20 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1sql n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sql s VAL 114 N -2.95 2.04 -0.29 1.61 -7.23 0.55 -4.97 120.40 109.17 1sql s VAL 114 Ca 0.00 -2.24 -0.01 0.00 -1.81 0.00 0.00 61.98 57.92 1sql s VAL 114 Cb 0.00 -2.40 0.13 0.00 0.56 0.00 0.00 36.38 34.67 1sql s VAL 114 CO 0.00 -0.35 0.27 -0.62 -0.31 0.00 0.00 175.10 174.09 1sql s ASP 115 N -3.49 1.98 0.18 4.85 3.68 -1.26 -1.31 116.67 121.31 1sql s ASP 115 Ca 0.29 -0.83 0.09 0.00 2.13 0.00 0.00 52.55 54.23 1sql s ASP 115 Cb 0.00 0.36 -0.04 0.00 -1.45 0.00 0.00 42.92 41.79 1sql s ASP 115 CO 0.13 -0.40 -0.12 0.27 0.13 0.00 0.00 175.17 175.19 1sql s ILE 116 N 2.32 3.07 -0.10 4.11 -0.00 -0.32 -4.97 121.20 125.31 1sql s ILE 116 Ca 0.09 -1.70 0.01 0.00 -0.00 0.00 0.00 60.65 59.06 1sql s ILE 116 Cb -0.14 -2.51 0.02 0.00 -0.00 0.00 0.00 42.46 39.83 1sql s ILE 116 CO -0.33 -0.10 -0.10 0.12 -0.00 0.00 0.00 174.94 174.53 1sql s PHE 117 N -1.67 1.53 -0.09 1.37 5.36 -1.26 -0.84 117.98 122.38 1sql s PHE 117 Ca 0.24 -0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 55.51 1sql s PHE 117 Cb -0.09 -1.19 0.03 0.00 -0.34 0.00 0.00 43.02 41.42 1sql s PHE 117 CO 0.14 -0.42 -0.05 1.03 -1.46 0.00 0.00 175.22 174.46 1sql s ARG 118 N 1.22 1.13 0.13 10.12 1.81 -0.60 -5.01 118.95 127.75 1sql s ARG 118 Ca -0.04 -0.11 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 1sql s ARG 118 Cb -0.14 -1.29 -0.04 0.00 -0.45 0.00 0.00 34.95 33.03 1sql s ARG 118 CO -0.03 -0.25 0.29 -0.65 -0.68 0.00 0.00 175.30 173.97 1sql s GLN 119 N 1.70 3.48 0.00 3.54 -0.21 -1.26 -1.42 119.66 125.48 1sql s GLN 119 Ca 0.03 -0.43 0.04 0.00 0.02 0.00 0.00 55.36 55.03 1sql s GLN 119 Cb -0.13 -2.95 0.25 0.00 1.00 0.00 0.00 33.01 31.18 1sql s GLN 119 CO -0.06 0.52 0.73 -2.13 -2.12 0.00 0.00 175.29 172.23