#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 2.78 0.02 1.61 1.01 -1.26 -4.93 116.67 115.90 1sql s ASP 2 Ca 0.00 1.55 -0.28 0.00 0.71 0.00 0.00 52.55 54.52 1sql s ASP 2 Cb 0.00 -2.21 0.07 0.00 1.01 0.00 0.00 42.92 41.79 1sql s ASP 2 CO 0.00 -3.08 0.68 -1.59 0.21 0.00 0.00 175.17 171.38 1sql s LYS 3 N -4.80 1.10 -0.17 8.23 -2.85 -1.25 -2.60 119.74 117.40 1sql s LYS 3 Ca 0.65 -0.01 -0.12 0.00 -1.00 0.00 0.00 55.97 55.49 1sql s LYS 3 Cb -0.20 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1sql s LYS 3 CO 0.59 -0.40 0.24 -0.51 0.10 0.00 0.00 175.35 175.36 1sql s LEU 4 N -1.74 4.25 -0.15 2.77 1.02 -0.02 -4.93 118.68 119.88 1sql s LEU 4 Ca -0.06 0.43 -0.00 0.00 0.02 0.00 0.00 54.13 54.52 1sql s LEU 4 Cb -0.00 -2.27 -0.01 0.00 0.02 0.00 0.00 46.19 43.92 1sql s LEU 4 CO 0.01 0.15 -0.13 -0.63 0.02 0.00 0.00 176.35 175.77 1sql s ILE 5 N 0.30 2.92 -0.26 -0.59 -1.09 -1.26 -0.96 121.20 120.26 1sql s ILE 5 Ca 0.14 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1sql s ILE 5 Cb -0.12 -2.24 0.07 0.00 -1.58 0.00 0.00 42.46 38.59 1sql s ILE 5 CO 0.02 0.51 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.44 1sql s LEU 6 N 0.65 2.95 -0.05 2.97 1.02 -0.08 -5.01 118.68 121.13 1sql s LEU 6 Ca -0.07 -1.36 0.06 0.00 0.02 0.00 0.00 54.13 52.78 1sql s LEU 6 Cb -0.15 -1.27 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 1sql s LEU 6 CO 0.02 -0.26 -0.24 -0.75 0.02 0.00 0.00 176.35 175.15 1sql s LYS 7 N 1.30 2.35 -0.36 1.70 2.20 -1.26 -0.24 119.74 125.43 1sql s LYS 7 Ca -0.03 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1sql s LYS 7 Cb -0.19 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1sql s LYS 7 CO -0.08 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1sql n GLY 8 N 2.87 0.25 3.69 5.54 0.00 -1.18 -4.99 105.19 111.37 1sql n GLY 8 Ca -0.17 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.16 4.35 -0.21 0.99 1.02 -0.27 -4.79 118.68 118.60 1sql s LEU 9 Ca 0.00 2.36 -0.03 0.00 0.02 0.00 0.00 54.13 56.48 1sql s LEU 9 Cb 0.00 -3.57 -0.00 0.00 0.02 0.00 0.00 46.19 42.64 1sql s LEU 9 CO 0.00 -0.81 -0.08 -0.54 0.02 0.00 0.00 176.35 174.95 1sql s LYS 10 N 2.31 3.30 0.03 1.70 1.02 -1.26 0.26 119.74 127.10 1sql s LYS 10 Ca 0.69 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1sql s LYS 10 Cb -0.37 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1sql s LYS 10 CO 0.30 -0.20 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.40 1sql s PHE 11 N 1.44 0.65 -0.21 3.18 0.08 -0.81 -4.98 117.98 117.34 1sql s PHE 11 Ca 0.06 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.59 1sql s PHE 11 Cb -0.14 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1sql s PHE 11 CO -0.05 -0.06 0.28 -0.47 -0.10 0.00 0.00 175.22 174.82 1sql s TYR 12 N -1.03 3.37 0.21 0.36 6.14 -1.26 -0.15 117.35 124.99 1sql s TYR 12 Ca -0.06 0.46 0.04 0.00 0.64 0.00 0.00 57.07 58.15 1sql s TYR 12 Cb -0.08 -2.38 -0.02 0.00 0.42 0.00 0.00 41.96 39.91 1sql s TYR 12 CO 0.00 0.09 0.15 0.41 0.64 0.00 0.00 175.55 176.84 1sql n GLY 13 N 3.91 3.40 2.14 8.97 0.00 -0.28 -4.37 105.19 118.96 1sql n GLY 13 Ca -0.12 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.42 1.66 -3.09 1.61 3.01 -1.26 -1.25 117.46 117.71 1sql n PHE 14 Ca 0.03 -1.96 -0.27 0.00 1.01 0.00 0.00 57.45 56.25 1sql n PHE 14 Cb 0.37 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 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 -3.32 3.50 0.00 1.38 3.76 -1.26 -4.15 115.29 115.20 1sql s HIS 15 Ca 0.39 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.98 1sql s HIS 15 Cb 0.37 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.90 1sql s HIS 15 CO -0.02 0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 1sql n GLY 16 N -1.53 4.16 0.15 -2.22 0.00 -0.19 -4.60 105.19 100.96 1sql n GLY 16 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 45.01 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 0.73 -2.71 4.61 0.00 -1.76 -3.38 119.26 116.74 1sql h ALA 17 Ca 0.00 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 1sql h ALA 17 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1sql h ALA 17 CO 0.00 0.64 0.06 0.42 0.00 0.00 0.00 179.25 180.37 1sql s ILE 18 N -3.12 4.88 0.26 0.00 -1.09 -1.26 -4.97 121.20 115.90 1sql s ILE 18 Ca 0.03 1.40 -0.02 0.00 -2.23 0.00 0.00 60.65 59.83 1sql s ILE 18 Cb 0.09 -4.01 0.25 0.00 -1.58 0.00 0.00 42.46 37.20 1sql s ILE 18 CO 0.73 0.37 1.70 0.00 -1.23 0.00 0.00 174.94 176.51 1sql h ALA 19 N 5.89 1.14 -0.18 9.38 0.00 -2.01 -0.87 119.26 132.62 1sql h ALA 19 Ca -0.44 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1sql h ALA 19 Cb 1.20 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1sql h ALA 19 CO 0.71 -0.29 -0.09 0.93 0.00 0.00 0.00 179.25 180.51 1sql h GLU 20 N 0.37 0.27 -0.45 0.00 3.07 -1.97 -2.41 114.58 113.46 1sql h GLU 20 Ca 0.46 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 59.20 1sql h GLU 20 Cb 0.79 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 1sql h GLU 20 CO -0.48 0.37 0.00 0.93 -1.40 0.00 0.00 179.01 178.44 1sql h GLU 21 N 0.26 0.74 0.00 2.33 5.08 -1.52 -1.96 114.58 119.51 1sql h GLU 21 Ca 0.06 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1sql h GLU 21 Cb 0.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1sql h GLU 21 CO 0.02 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 1sql h ARG 22 N 0.70 0.00 0.00 2.33 3.08 -1.27 0.17 114.38 119.39 1sql h ARG 22 Ca 0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1sql h ARG 22 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1sql h ARG 22 CO 0.02 0.00 -1.91 0.25 -1.07 0.00 0.00 179.97 177.25 1sql n THR 23 N -2.75 0.16 -0.08 2.04 -2.24 -1.03 -4.55 114.28 105.83 1sql n THR 23 Ca 0.02 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 61.17 1sql n THR 23 Cb 0.30 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.22 1.69 -0.28 3.22 7.94 -0.76 -5.10 117.00 121.48 1sql n LEU 24 Ca -0.07 0.05 0.04 0.00 -1.11 0.00 0.00 56.01 54.92 1sql n LEU 24 Cb 0.57 -0.36 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 1sql n LEU 24 CO 0.40 0.71 -0.06 0.61 -1.11 0.00 0.00 177.39 177.93 1sql n GLY 25 N 1.95 -1.62 3.83 -3.96 0.00 0.04 -5.02 105.19 100.41 1sql n GLY 25 Ca -0.35 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.58 0.55 0.17 1.61 -2.07 -0.38 -4.98 119.66 112.97 1sql s GLN 26 Ca 0.00 -0.34 -0.19 0.00 -1.82 0.00 0.00 55.36 53.01 1sql s GLN 26 Cb 0.00 0.16 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 1sql s GLN 26 CO 0.00 -0.26 0.66 -1.64 -1.32 0.00 0.00 175.29 172.73 1sql s MET 27 N -2.23 4.23 0.10 9.60 -1.94 -1.26 -1.13 119.30 126.66 1sql s MET 27 Ca 0.22 0.80 0.08 0.00 -1.71 0.00 0.00 55.69 55.08 1sql s MET 27 Cb 0.01 -3.02 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 1sql s MET 27 CO -0.01 0.49 -0.21 -0.06 -0.01 0.00 0.00 175.02 175.22 1sql s PHE 28 N -1.37 1.82 -0.12 -0.03 0.40 0.78 -4.34 117.98 115.13 1sql s PHE 28 Ca 0.38 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1sql s PHE 28 Cb -0.18 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.33 1sql s PHE 28 CO 0.21 0.20 -0.14 -1.17 0.70 0.00 0.00 175.22 175.02 1sql s LEU 29 N -1.84 2.66 -0.08 -0.37 0.20 -0.08 -1.92 118.68 117.25 1sql s LEU 29 Ca 0.07 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1sql s LEU 29 Cb -0.10 -1.59 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1sql s LEU 29 CO 0.04 0.18 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.43 1sql s VAL 30 N 0.26 1.46 -0.08 1.68 1.01 0.14 -1.23 120.40 123.64 1sql s VAL 30 Ca -0.10 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1sql s VAL 30 Cb -0.16 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1sql s VAL 30 CO 0.06 0.43 -0.22 -1.81 0.00 0.00 0.00 175.10 173.55 1sql s ASP 31 N 0.56 3.29 -0.06 3.32 1.01 -0.29 -1.12 116.67 123.39 1sql s ASP 31 Ca -0.16 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.63 1sql s ASP 31 Cb -0.17 -1.14 0.02 0.00 1.01 0.00 0.00 42.92 42.65 1sql s ASP 31 CO 0.05 0.21 -0.05 -0.63 0.21 0.00 0.00 175.17 174.97 1sql s ILE 32 N 0.03 0.60 -0.19 0.77 -1.09 0.67 -0.74 121.20 121.25 1sql s ILE 32 Ca -0.08 -0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1sql s ILE 32 Cb -0.15 -0.64 0.01 0.00 -1.58 0.00 0.00 42.46 40.10 1sql s ILE 32 CO 0.05 0.25 -0.16 -1.81 -1.23 0.00 0.00 174.94 172.05 1sql s ASP 33 N 1.12 3.45 -0.27 3.58 -0.00 -0.39 -0.90 116.67 123.26 1sql s ASP 33 Ca -0.08 -0.58 -0.03 0.00 -0.00 0.00 0.00 52.55 51.86 1sql s ASP 33 Cb -0.14 -1.55 0.02 0.00 -0.00 0.00 0.00 42.92 41.25 1sql s ASP 33 CO -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 175.17 175.15 1sql s ALA 34 N 1.33 2.83 -0.43 5.23 0.00 -0.13 -0.39 121.76 130.19 1sql s ALA 34 Ca 0.05 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 1sql s ALA 34 Cb -0.13 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1sql s ALA 34 CO -0.10 -0.91 1.20 -1.58 0.00 0.00 0.00 175.76 174.37 1sql s TRP 35 N 1.37 2.77 -0.22 0.00 0.51 0.13 -0.84 118.94 122.67 1sql s TRP 35 Ca 0.00 0.79 -0.19 0.00 -2.12 0.00 0.00 56.10 54.58 1sql s TRP 35 Cb -0.17 -4.27 0.06 0.00 -0.81 0.00 0.00 33.47 28.28 1sql s TRP 35 CO -0.02 -1.37 0.57 0.54 -0.51 0.00 0.00 176.95 176.16 1sql s VAL 36 N 4.53 -0.00 0.17 4.03 0.11 -1.07 0.71 120.40 128.88 1sql s VAL 36 Ca 0.51 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 59.26 1sql s VAL 36 Cb -0.10 -0.80 -0.09 0.00 -1.53 0.00 0.00 36.38 33.86 1sql s VAL 36 CO 0.29 0.00 1.42 -0.55 -3.33 0.00 0.00 175.10 172.93 1sql s SER 37 N 0.45 6.76 0.00 3.54 0.15 -1.26 -3.92 113.70 119.41 1sql s SER 37 Ca -0.01 2.48 0.07 0.00 0.70 0.00 0.00 55.95 59.19 1sql s SER 37 Cb -0.04 -2.60 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 3.29 1.58 -0.13 3.45 4.77 -1.26 -4.70 117.00 124.00 1sql n LEU 38 Ca 0.10 -1.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.00 1sql n LEU 38 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1sql n LEU 38 CO 0.59 0.32 0.98 0.50 -1.33 0.00 0.00 177.39 178.46 1sql h LYS 39 N 1.38 0.57 -0.12 3.23 3.64 -1.94 0.17 116.57 123.49 1sql h LYS 39 Ca 0.00 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1sql h LYS 39 Cb 0.29 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1sql h LYS 39 CO 0.00 0.46 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.29 1sql h LYS 40 N 0.53 -0.15 -0.20 1.90 3.64 -1.89 -1.25 116.57 119.15 1sql h LYS 40 Ca 0.14 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1sql h LYS 40 Cb 0.06 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1sql h LYS 40 CO -0.02 -0.10 -0.13 0.00 -2.27 0.00 0.00 179.45 176.92 1sql h ALA 41 N 0.91 1.42 -0.07 5.00 0.00 -1.66 -1.56 119.26 123.29 1sql h ALA 41 Ca 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1sql h ALA 41 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sql h ALA 41 CO -0.22 0.40 -0.21 0.78 0.00 0.00 0.00 179.25 180.01 1sql h GLY 42 N 0.82 0.13 0.36 0.00 0.00 0.46 0.23 103.07 105.06 1sql h GLY 42 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1sql h GLY 42 CO 0.02 0.08 -1.78 1.18 0.00 0.00 0.00 176.54 176.04 1sql n GLU 43 N -4.24 0.65 -0.02 4.80 1.02 -0.69 -4.48 120.64 117.68 1sql n GLU 43 Ca -0.02 -0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.93 1sql n GLU 43 Cb 0.30 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.53 1.64 -1.28 1.62 3.41 -0.62 -4.97 113.62 110.89 1sql n SER 44 Ca -0.09 0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 1sql n SER 44 Cb 0.72 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.30 -4.49 -4.65 4.04 2.03 0.06 -5.01 116.55 105.23 1sql n ASP 45 Ca -0.28 0.19 -0.34 0.00 0.52 0.00 0.00 54.79 54.88 1sql n ASP 45 Cb 1.05 -3.40 -0.10 0.00 -0.72 0.00 0.00 41.12 37.95 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 -2.65 5.06 0.32 1.67 0.01 -1.26 -5.03 114.94 113.06 1sql s ASN 46 Ca 0.00 0.09 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 1sql s ASN 46 Cb 0.00 -1.38 0.56 0.00 0.41 0.00 0.00 41.25 40.84 1sql s ASN 46 CO 0.00 0.37 1.94 -0.07 -1.51 0.00 0.00 177.10 177.83 1sql h LEU 47 N 5.12 0.85 -2.18 0.60 -0.00 -1.94 -2.67 115.31 115.09 1sql h LEU 47 Ca -0.50 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.42 1sql h LEU 47 Cb 1.19 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 1sql h LEU 47 CO 0.54 0.57 0.28 1.05 -0.00 0.00 0.00 178.44 180.88 1sql h GLU 48 N 0.98 0.00 -0.03 1.13 4.11 -2.02 -1.85 114.58 116.90 1sql h GLU 48 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1sql h GLU 48 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1sql h GLU 48 CO -0.11 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.72 1sql n ASP 49 N -3.44 1.11 -1.42 3.06 8.00 -1.01 -4.91 116.55 117.94 1sql n ASP 49 Ca 0.01 -1.41 -0.04 0.00 0.71 0.00 0.00 54.79 54.06 1sql n ASP 49 Cb 0.39 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.12 0.00 -4.84 -3.53 5.66 -0.70 -4.06 114.28 106.70 1sql n THR 50 Ca 0.19 -0.46 -0.25 0.00 -3.05 0.00 0.00 64.05 60.49 1sql n THR 50 Cb 0.28 0.23 -0.15 0.00 -1.55 0.00 0.00 70.33 69.14 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 -2.28 1.38 0.00 1.09 -4.36 -1.26 -4.99 121.20 110.77 1sql s ILE 51 Ca 0.07 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.42 1sql s ILE 51 Cb 0.00 -1.14 -0.06 0.00 1.25 0.00 0.00 42.46 42.51 1sql s ILE 51 CO 0.05 0.39 1.47 -0.55 0.24 0.00 0.00 174.94 176.54 1sql s SER 52 N -0.40 6.79 0.11 4.36 0.15 -1.26 -4.88 113.70 118.57 1sql s SER 52 Ca 0.07 2.18 0.17 0.00 0.70 0.00 0.00 55.95 59.07 1sql s SER 52 Cb -0.07 -2.56 0.72 0.00 -1.71 0.00 0.00 66.02 62.40 1sql s SER 52 CO -0.01 -0.77 1.51 0.00 1.20 0.00 0.00 173.24 175.17 1sql n TYR 53 N 5.60 0.34 0.10 3.44 -0.00 -1.26 -1.03 117.16 124.35 1sql n TYR 53 Ca 0.14 0.14 -0.03 0.00 -0.00 0.00 0.00 57.90 58.15 1sql n TYR 53 Cb 0.43 -0.73 0.02 0.00 -0.00 0.00 0.00 39.34 39.06 1sql n TYR 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1sql h VAL 54 N 0.00 1.46 -0.04 -3.48 2.07 -1.98 0.39 116.25 114.66 1sql h VAL 54 Ca 0.00 -2.76 -0.18 0.00 0.82 0.00 0.00 66.70 64.59 1sql h VAL 54 Cb 0.24 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1sql h VAL 54 CO 0.00 0.76 -0.74 0.44 0.02 0.00 0.00 177.57 178.05 1sql h ASP 55 N 0.00 0.34 -0.33 0.57 3.32 -1.47 -1.22 116.42 117.62 1sql h ASP 55 Ca -0.01 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 1sql h ASP 55 Cb 1.47 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 1sql h ASP 55 CO 0.10 0.96 -0.35 0.40 -1.72 0.00 0.00 179.24 178.63 1sql h ILE 56 N 0.18 1.29 -0.17 0.35 1.08 -1.31 -2.44 117.51 116.49 1sql h ILE 56 Ca -0.03 -1.52 0.02 0.00 -0.39 0.00 0.00 64.86 62.94 1sql h ILE 56 Cb 1.31 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 36.53 1sql h ILE 56 CO 0.12 0.50 0.03 0.15 -0.69 0.00 0.00 178.15 178.25 1sql h PHE 57 N 0.61 0.05 -0.76 1.37 3.57 -0.80 -2.22 116.94 118.76 1sql h PHE 57 Ca 0.05 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1sql h PHE 57 Cb 0.93 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 1sql h PHE 57 CO 0.07 0.01 0.47 0.77 -2.23 0.00 0.00 178.31 177.40 1sql h SER 58 N 0.09 0.90 -0.41 0.41 0.02 -1.17 -0.67 113.55 112.73 1sql h SER 58 Ca 0.07 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1sql h SER 58 Cb 0.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1sql h SER 58 CO -0.10 0.69 0.19 0.25 -1.14 0.00 0.00 176.83 176.72 1sql h LEU 59 N 1.04 0.54 -0.56 5.07 5.85 -1.23 -1.59 115.31 124.43 1sql h LEU 59 Ca 0.27 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1sql h LEU 59 Cb -0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1sql h LEU 59 CO -0.05 0.53 -0.07 0.00 -0.34 0.00 0.00 178.44 178.50 1sql h ALA 60 N 1.04 0.77 -0.06 1.25 0.00 -1.13 -2.31 119.26 118.81 1sql h ALA 60 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1sql h ALA 60 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sql h ALA 60 CO -0.02 0.66 -0.07 -0.22 0.00 0.00 0.00 179.25 179.61 1sql h LYS 61 N 0.93 -0.09 -0.72 0.00 3.64 -0.98 0.40 116.57 119.76 1sql h LYS 61 Ca 0.15 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1sql h LYS 61 Cb 0.64 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1sql h LYS 61 CO 0.04 -0.06 0.48 1.49 -2.27 0.00 0.00 179.45 179.13 1sql h GLU 62 N -0.09 0.85 0.14 1.90 4.81 -1.17 0.14 114.58 121.15 1sql h GLU 62 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1sql h GLU 62 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1sql h GLU 62 CO -0.11 0.56 -0.07 0.82 -0.73 0.00 0.00 179.01 179.49 1sql h ILE 63 N 0.88 0.98 -0.63 2.32 1.08 -0.93 -0.99 117.51 120.23 1sql h ILE 63 Ca 0.29 -1.14 0.04 0.00 -0.39 0.00 0.00 64.86 63.66 1sql h ILE 63 Cb 0.05 1.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 1sql h ILE 63 CO -0.08 0.24 0.41 0.58 -0.69 0.00 0.00 178.15 178.62 1sql h VAL 64 N -0.79 1.06 -0.13 1.67 2.07 -0.69 0.33 116.25 119.77 1sql h VAL 64 Ca -0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1sql h VAL 64 Cb 0.54 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1sql h VAL 64 CO 0.03 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 177.13 1sql n GLU 65 N -4.47 1.91 0.00 1.57 1.02 0.02 -4.27 120.64 116.42 1sql n GLU 65 Ca 0.08 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 1sql n GLU 65 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.23 -1.14 3.64 0.62 0.00 0.10 -4.92 105.19 104.73 1sql n GLY 66 Ca 0.17 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 1.89 -4.76 1.61 7.64 -1.26 -4.72 113.62 114.02 1sql n SER 67 Ca 0.00 1.17 -0.41 0.00 1.01 0.00 0.00 58.87 60.64 1sql n SER 67 Cb 0.00 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 61.80 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 -1.77 4.23 0.11 1.43 0.04 -1.26 -4.93 135.00 132.85 1sql s PRO 68 Ca 0.58 2.38 0.07 0.00 0.04 0.00 0.00 61.00 64.08 1sql s PRO 68 Cb -0.62 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1sql s PRO 68 CO 0.60 -0.42 -0.19 1.03 0.04 0.00 0.00 177.00 178.07 1sql s ARG 69 N -1.10 1.08 0.05 4.56 1.81 -1.26 -4.98 118.95 119.10 1sql s ARG 69 Ca 0.56 -1.17 -0.20 0.00 -1.72 0.00 0.00 55.73 53.20 1sql s ARG 69 Cb -0.43 -1.22 -0.13 0.00 -0.45 0.00 0.00 34.95 32.72 1sql s ARG 69 CO 0.51 0.27 1.40 -0.91 -0.68 0.00 0.00 175.30 175.89 1sql h ASN 70 N 3.94 0.38 -3.29 0.23 2.35 -1.94 -0.47 115.58 116.78 1sql h ASN 70 Ca -0.44 -0.42 -0.64 0.00 -0.55 0.00 0.00 56.30 54.25 1sql h ASN 70 Cb 1.19 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 39.33 1sql h ASN 70 CO 0.42 0.72 -0.67 -0.76 -1.65 0.00 0.00 177.43 175.49 1sql s LEU 71 N -9.24 3.38 0.30 1.61 1.43 -1.26 -2.38 118.68 112.53 1sql s LEU 71 Ca -0.14 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1sql s LEU 71 Cb 0.06 -2.11 0.49 0.00 0.03 0.00 0.00 46.19 44.66 1sql s LEU 71 CO 0.75 0.16 1.78 -0.07 0.23 0.00 0.00 176.35 179.20 1sql h LEU 72 N 3.31 0.47 -0.63 1.79 3.38 -1.96 -2.45 115.31 119.22 1sql h LEU 72 Ca -0.48 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 57.48 1sql h LEU 72 Cb 1.17 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 1sql h LEU 72 CO 0.58 0.66 0.17 -0.33 0.09 0.00 0.00 178.44 179.61 1sql h GLU 73 N 0.44 0.30 -0.46 1.13 3.07 -1.95 0.11 114.58 117.21 1sql h GLU 73 Ca 0.08 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1sql h GLU 73 Cb 0.54 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1sql h GLU 73 CO 0.03 0.20 0.23 1.15 -1.40 0.00 0.00 179.01 179.22 1sql h THR 74 N 0.31 1.18 -0.21 1.13 2.02 -1.86 -0.07 112.91 115.40 1sql h THR 74 Ca 0.33 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1sql h THR 74 Cb 0.49 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1sql h THR 74 CO -0.40 0.20 -0.02 0.58 0.37 0.00 0.00 175.52 176.26 1sql h VAL 75 N 0.61 1.27 -0.86 3.16 2.07 -1.21 -0.90 116.25 120.38 1sql h VAL 75 Ca 0.16 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1sql h VAL 75 Cb 0.11 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1sql h VAL 75 CO -0.02 0.29 0.50 0.00 0.02 0.00 0.00 177.57 178.36 1sql h ALA 76 N 0.77 1.10 -0.49 1.67 0.00 -0.72 -0.92 119.26 120.67 1sql h ALA 76 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1sql h ALA 76 Cb 0.44 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sql h ALA 76 CO 0.01 0.59 0.04 1.49 0.00 0.00 0.00 179.25 181.38 1sql h GLU 77 N 1.20 0.80 -0.38 0.00 4.57 -0.81 -0.29 114.58 119.66 1sql h GLU 77 Ca 0.31 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1sql h GLU 77 Cb -0.01 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1sql h GLU 77 CO -0.05 0.78 -0.27 1.25 -1.18 0.00 0.00 179.01 179.53 1sql h LEU 78 N 0.75 0.89 -0.19 1.64 5.85 -0.59 -0.50 115.31 123.16 1sql h LEU 78 Ca 0.15 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1sql h LEU 78 Cb 0.40 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1sql h LEU 78 CO 0.01 1.14 0.08 0.40 -0.34 0.00 0.00 178.44 179.73 1sql h ILE 79 N 0.65 1.15 0.12 4.05 2.04 -0.81 0.67 117.51 125.39 1sql h ILE 79 Ca 0.07 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1sql h ILE 79 Cb 0.85 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1sql h ILE 79 CO 0.07 0.15 -0.08 0.00 0.00 0.00 0.00 178.15 178.29 1sql h ALA 80 N 0.93 -0.19 -0.31 1.87 0.00 -0.98 -0.37 119.26 120.20 1sql h ALA 80 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sql h ALA 80 Cb 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sql h ALA 80 CO -0.01 -0.61 0.11 0.66 0.00 0.00 0.00 179.25 179.40 1sql h SER 81 N -0.20 0.44 0.03 0.00 4.64 -1.00 -2.46 113.55 115.01 1sql h SER 81 Ca -0.01 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 1sql h SER 81 Cb 0.18 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1sql h SER 81 CO 0.00 0.51 -0.31 0.11 -0.87 0.00 0.00 176.83 176.27 1sql h LYS 82 N 0.35 0.41 0.04 4.77 1.57 -0.81 -1.43 116.57 121.47 1sql h LYS 82 Ca 0.10 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1sql h LYS 82 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1sql h LYS 82 CO -0.01 0.68 -0.02 1.15 -0.57 0.00 0.00 179.45 180.68 1sql h THR 83 N 0.36 1.09 -0.40 -0.16 2.02 -0.95 0.65 112.91 115.52 1sql h THR 83 Ca 0.05 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1sql h THR 83 Cb 0.73 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1sql h THR 83 CO 0.06 0.11 0.12 -0.07 0.37 0.00 0.00 175.52 176.11 1sql h LEU 84 N -0.25 0.53 -0.22 2.58 3.38 -1.38 -0.65 115.31 119.31 1sql h LEU 84 Ca -0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1sql h LEU 84 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1sql h LEU 84 CO 0.01 0.51 -0.11 -0.08 0.09 0.00 0.00 178.44 178.86 1sql h GLU 85 N 0.57 0.46 -0.22 1.13 4.81 -0.99 -3.28 114.58 117.06 1sql h GLU 85 Ca 0.14 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 1sql h GLU 85 Cb 0.18 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1sql h GLU 85 CO -0.01 0.74 -0.55 -0.22 -0.73 0.00 0.00 179.01 178.24 1sql h LYS 86 N 0.16 0.65 -4.44 1.92 1.63 -0.61 -3.41 116.57 112.48 1sql h LYS 86 Ca 0.05 -0.41 -0.66 0.00 -0.85 0.00 0.00 60.65 58.77 1sql h LYS 86 Cb 0.61 0.05 -0.39 0.00 -0.60 0.00 0.00 32.23 31.90 1sql h LYS 86 CO 0.03 1.03 -0.67 -0.06 -3.45 0.00 0.00 179.45 176.33 1sql s PHE 87 N -4.03 3.65 0.37 1.91 0.08 -0.27 -4.97 117.98 114.71 1sql s PHE 87 Ca -0.08 -2.95 0.07 0.00 0.12 0.00 0.00 56.93 54.09 1sql s PHE 87 Cb 0.11 -2.96 0.79 0.00 -0.57 0.00 0.00 43.02 40.38 1sql s PHE 87 CO 0.86 -0.92 1.94 0.45 -0.10 0.00 0.00 175.22 177.44 1sql h HIS 88 N 7.48 0.75 -0.03 0.36 3.86 -1.80 -2.48 115.15 123.30 1sql h HIS 88 Ca -0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1sql h HIS 88 Cb 1.00 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1sql h HIS 88 CO 0.49 0.36 -0.02 1.96 0.86 0.00 0.00 177.93 181.58 1sql h GLN 89 N 0.71 0.04 -6.71 2.45 7.50 -1.93 -3.43 115.11 113.75 1sql h GLN 89 Ca 0.35 -0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.97 1sql h GLN 89 Cb 0.41 -0.01 0.04 0.00 0.05 0.00 0.00 27.48 27.98 1sql h GLN 89 CO -0.13 0.07 0.70 0.42 -1.50 0.00 0.00 178.83 178.39 1sql s ILE 90 N -5.00 2.96 -0.15 2.54 1.01 -0.93 -4.66 121.20 116.97 1sql s ILE 90 Ca -0.05 0.80 0.18 0.00 0.00 0.00 0.00 60.65 61.57 1sql s ILE 90 Cb 0.17 -3.51 -0.25 0.00 0.01 0.00 0.00 42.46 38.88 1sql s ILE 90 CO 0.68 0.12 0.27 0.59 0.00 0.00 0.00 174.94 176.60 1sql n ASN 91 N 2.53 0.20 -3.52 3.58 3.02 0.22 -4.84 115.26 116.46 1sql n ASN 91 Ca 0.07 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 1sql n ASN 91 Cb 0.42 0.91 -0.03 0.00 -0.61 0.00 0.00 39.78 40.46 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 -2.68 -1.82 -0.04 5.41 0.00 -1.22 -1.44 121.76 119.96 1sql s ALA 92 Ca -0.08 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1sql s ALA 92 Cb 0.08 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1sql s ALA 92 CO 0.84 -0.56 0.08 0.54 0.00 0.00 0.00 175.76 176.66 1sql s VAL 93 N -2.43 -0.03 -0.18 0.00 0.11 0.51 0.21 120.40 118.59 1sql s VAL 93 Ca 0.01 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1sql s VAL 93 Cb -0.01 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1sql s VAL 93 CO -0.04 0.04 0.02 -0.60 -3.33 0.00 0.00 175.10 171.19 1sql s ARG 94 N 0.59 3.79 -0.19 1.54 3.52 0.47 -1.46 118.95 127.21 1sql s ARG 94 Ca -0.05 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 1sql s ARG 94 Cb -0.06 -3.12 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1sql s ARG 94 CO -0.02 0.17 -0.15 0.08 -0.81 0.00 0.00 175.30 174.57 1sql s VAL 95 N 0.60 1.88 -0.26 7.11 1.01 0.04 -1.26 120.40 129.52 1sql s VAL 95 Ca 0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1sql s VAL 95 Cb -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1sql s VAL 95 CO 0.02 0.35 0.07 -0.54 0.00 0.00 0.00 175.10 175.00 1sql s LYS 96 N 1.33 3.51 -0.13 2.72 1.02 0.08 -1.65 119.74 126.62 1sql s LYS 96 Ca 0.01 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1sql s LYS 96 Cb -0.15 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1sql s LYS 96 CO -0.10 -0.25 -0.18 -1.17 -0.92 0.00 0.00 175.35 172.73 1sql s LEU 97 N 1.58 1.88 0.10 3.17 2.96 0.41 -1.13 118.68 127.64 1sql s LEU 97 Ca 0.06 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1sql s LEU 97 Cb -0.15 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 1sql s LEU 97 CO 0.03 0.03 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.62 1sql s SER 98 N 0.99 0.83 -0.31 3.68 0.01 -0.36 0.36 113.70 118.91 1sql s SER 98 Ca -0.05 -1.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.14 1sql s SER 98 Cb -0.15 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.29 1sql s SER 98 CO -0.03 -0.55 0.01 -0.54 0.41 0.00 0.00 173.24 172.54 1sql s LYS 99 N -3.90 2.42 0.39 12.44 1.02 0.68 -0.90 119.74 131.89 1sql s LYS 99 Ca 0.13 -1.28 0.20 0.00 0.02 0.00 0.00 55.97 55.04 1sql s LYS 99 Cb 0.07 -3.22 0.67 0.00 -0.52 0.00 0.00 37.83 34.83 1sql s LYS 99 CO -0.05 -0.64 1.72 -1.00 -0.92 0.00 0.00 175.35 174.46 1sql h PRO 100 N 8.01 0.00 -3.27 -1.68 0.13 -1.79 -2.70 132.00 130.71 1sql h PRO 100 Ca -0.21 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.29 1sql h PRO 100 Cb 1.06 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.78 1sql h PRO 100 CO 0.54 0.33 -0.62 -0.80 -0.23 0.00 0.00 178.00 177.22 1sql s ASN 101 N -6.34 4.42 -0.19 1.44 0.01 -1.26 -4.59 114.94 108.42 1sql s ASN 101 Ca 0.01 -3.26 -0.24 0.00 -0.71 0.00 0.00 52.86 48.66 1sql s ASN 101 Cb 0.10 -1.60 -0.02 0.00 0.41 0.00 0.00 41.25 40.14 1sql s ASN 101 CO 0.68 -0.19 0.78 -0.69 -1.51 0.00 0.00 177.10 176.17 1sql s VAL 102 N -0.62 4.91 0.39 1.60 1.01 -1.26 -4.96 120.40 121.47 1sql s VAL 102 Ca 0.20 1.50 -0.26 0.00 0.00 0.00 0.00 61.98 63.41 1sql s VAL 102 Cb -0.19 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1sql s VAL 102 CO -0.05 0.03 1.28 0.00 0.00 0.00 0.00 175.10 176.36 1sql n ALA 103 N 5.36 1.32 -0.02 5.51 0.00 -1.26 -2.35 120.51 129.07 1sql n ALA 103 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1sql n ALA 103 Cb 0.49 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 0.39 0.00 -4.59 0.00 7.99 -1.26 -4.98 117.00 114.56 1sql n LEU 104 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.63 1sql n LEU 104 Cb 0.38 -0.08 -0.04 0.00 -0.11 0.00 0.00 43.42 43.57 1sql n LEU 104 CO 0.60 -0.00 0.72 -0.63 -1.51 0.00 0.00 177.39 176.57 1sql s ILE 105 N -2.71 4.58 -1.33 -0.08 -1.09 -0.99 -4.91 121.20 114.67 1sql s ILE 105 Ca 0.00 1.00 0.29 0.00 -2.23 0.00 0.00 60.65 59.71 1sql s ILE 105 Cb 0.00 -4.34 0.34 0.00 -1.58 0.00 0.00 42.46 36.88 1sql s ILE 105 CO 0.00 -0.60 1.85 0.29 -1.23 0.00 0.00 174.94 175.24 1sql n LYS 106 N 6.82 0.34 -4.39 2.79 4.01 -1.26 -4.91 118.16 121.56 1sql n LYS 106 Ca 0.06 -0.09 -0.26 0.00 -0.51 0.00 0.00 58.31 57.51 1sql n LYS 106 Cb 0.48 -1.50 -0.09 0.00 -0.51 0.00 0.00 35.03 33.41 1sql n LYS 106 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1sql s SER 107 N -2.72 4.10 0.26 4.39 1.04 -1.26 -5.11 113.70 114.40 1sql s SER 107 Ca 0.22 -1.16 -0.29 0.00 0.48 0.00 0.00 55.95 55.19 1sql s SER 107 Cb 0.19 -0.45 -0.09 0.00 0.10 0.00 0.00 66.02 65.77 1sql s SER 107 CO 0.52 -0.39 1.22 -0.89 0.98 0.00 0.00 173.24 174.68 1sql s THR 108 N -2.61 3.25 0.24 2.02 2.01 -1.26 -5.04 115.64 114.24 1sql s THR 108 Ca 0.36 1.16 -0.13 0.00 0.31 0.00 0.00 61.69 63.39 1sql s THR 108 Cb 0.05 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 1sql s THR 108 CO 0.19 0.24 0.48 0.27 -0.69 0.00 0.00 174.62 175.11 1sql s ILE 109 N -0.67 0.01 -0.07 1.82 -0.00 -1.26 -5.07 121.20 115.96 1sql s ILE 109 Ca 0.50 -1.33 -0.01 0.00 -0.00 0.00 0.00 60.65 59.81 1sql s ILE 109 Cb -0.35 -2.11 -0.00 0.00 -0.00 0.00 0.00 42.46 39.99 1sql s ILE 109 CO 0.43 -0.03 0.03 0.44 -0.00 0.00 0.00 174.94 175.81 1sql h ASP 110 N 2.26 -0.02 -5.75 4.36 5.19 -1.96 -3.50 116.42 117.00 1sql h ASP 110 Ca -0.26 0.00 0.39 0.00 -0.62 0.00 0.00 57.03 56.54 1sql h ASP 110 Cb 1.25 0.01 -0.15 0.00 0.18 0.00 0.00 39.33 40.62 1sql h ASP 110 CO 0.36 0.34 0.99 -0.72 -3.12 0.00 0.00 179.24 177.09 1sql s TYR 111 N -1.49 -0.00 -0.01 4.55 1.13 -1.26 -4.51 117.35 115.75 1sql s TYR 111 Ca -0.00 -0.00 0.06 0.00 -1.41 0.00 0.00 57.07 55.71 1sql s TYR 111 Cb 0.00 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1sql s TYR 111 CO 0.01 -0.01 -0.19 -0.51 -2.51 0.00 0.00 175.55 172.33 1sql s LEU 112 N -2.88 2.04 0.00 -3.49 1.43 -1.02 -4.95 118.68 109.82 1sql s LEU 112 Ca 0.15 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1sql s LEU 112 Cb 0.07 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1sql s LEU 112 CO -0.06 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1sql n GLY 113 N 2.60 1.56 3.32 -3.19 0.00 -1.26 -0.23 105.19 107.99 1sql n GLY 113 Ca -0.15 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.51 1.64 -0.20 1.61 -7.23 0.16 -4.96 120.40 108.90 1sql s VAL 114 Ca 0.00 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1sql s VAL 114 Cb 0.00 -1.89 0.08 0.00 0.56 0.00 0.00 36.38 35.13 1sql s VAL 114 CO 0.00 -0.51 0.14 -0.62 -0.31 0.00 0.00 175.10 173.80 1sql s ASP 115 N -3.00 2.26 0.09 4.85 3.68 -1.26 -0.45 116.67 122.85 1sql s ASP 115 Ca 0.18 -0.63 0.10 0.00 2.13 0.00 0.00 52.55 54.32 1sql s ASP 115 Cb -0.02 -0.07 -0.03 0.00 -1.45 0.00 0.00 42.92 41.34 1sql s ASP 115 CO 0.06 -0.36 -0.25 0.27 0.13 0.00 0.00 175.17 175.02 1sql s ILE 116 N 2.19 2.04 -0.16 4.11 -4.36 -0.66 -4.98 121.20 119.39 1sql s ILE 116 Ca 0.05 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 1sql s ILE 116 Cb -0.16 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.77 1sql s ILE 116 CO -0.15 0.14 -0.20 0.12 0.24 0.00 0.00 174.94 175.08 1sql s PHE 117 N -0.99 2.64 -0.07 1.37 5.36 -1.26 -0.78 117.98 124.25 1sql s PHE 117 Ca 0.11 -1.44 0.01 0.00 -0.96 0.00 0.00 56.93 54.65 1sql s PHE 117 Cb -0.10 -1.82 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1sql s PHE 117 CO 0.04 -0.69 -0.08 1.03 -1.46 0.00 0.00 175.22 174.07 1sql s ARG 118 N 1.07 1.25 0.23 10.12 1.81 -0.54 -5.01 118.95 127.88 1sql s ARG 118 Ca -0.01 -0.23 0.11 0.00 -1.72 0.00 0.00 55.73 53.88 1sql s ARG 118 Cb -0.14 -1.18 -0.05 0.00 -0.45 0.00 0.00 34.95 33.13 1sql s ARG 118 CO -0.07 -0.09 -0.16 1.14 -0.68 0.00 0.00 175.30 175.44 1sql s GLN 119 N 1.03 1.80 0.00 3.54 -2.07 -1.26 -0.37 119.66 122.33 1sql s GLN 119 Ca -0.09 -1.54 0.00 0.00 -1.82 0.00 0.00 55.36 51.91 1sql s GLN 119 Cb -0.14 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 1sql s GLN 119 CO -0.00 0.38 0.21 0.54 -1.32 0.00 0.00 175.29 175.09