#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 2.74 -0.12 1.61 1.01 -1.26 -4.96 116.67 115.69 1sql s ASP 2 Ca 0.00 1.05 -0.30 0.00 0.71 0.00 0.00 52.55 54.00 1sql s ASP 2 Cb 0.00 -1.65 0.11 0.00 1.01 0.00 0.00 42.92 42.39 1sql s ASP 2 CO 0.00 -3.04 0.91 -1.59 0.21 0.00 0.00 175.17 171.65 1sql s LYS 3 N -5.11 0.73 -0.10 8.23 -2.85 -1.25 -2.81 119.74 116.58 1sql s LYS 3 Ca 0.65 0.15 -0.13 0.00 -1.00 0.00 0.00 55.97 55.65 1sql s LYS 3 Cb -0.17 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 1sql s LYS 3 CO 0.56 -0.23 0.31 -0.51 0.10 0.00 0.00 175.35 175.58 1sql s LEU 4 N -1.20 4.35 -0.13 2.77 1.43 0.36 -4.91 118.68 121.36 1sql s LEU 4 Ca -0.04 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1sql s LEU 4 Cb -0.00 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 1sql s LEU 4 CO 0.03 0.22 -0.19 -0.63 0.23 0.00 0.00 176.35 176.02 1sql s ILE 5 N -0.30 2.44 -0.28 -0.59 1.09 -1.26 -1.06 121.20 121.23 1sql s ILE 5 Ca 0.19 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.90 1sql s ILE 5 Cb -0.14 -1.99 0.07 0.00 -1.06 0.00 0.00 42.46 39.34 1sql s ILE 5 CO 0.07 0.54 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.63 1sql s LEU 6 N 0.54 3.80 -0.11 2.97 1.02 -0.12 -5.01 118.68 121.78 1sql s LEU 6 Ca -0.12 -1.56 -0.03 0.00 0.02 0.00 0.00 54.13 52.45 1sql s LEU 6 Cb -0.16 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 1sql s LEU 6 CO 0.04 -0.24 -0.00 -0.75 0.02 0.00 0.00 176.35 175.42 1sql s LYS 7 N 1.07 3.25 -1.38 1.70 2.47 -1.26 -0.42 119.74 125.17 1sql s LYS 7 Ca -0.04 -0.42 -0.03 0.00 -1.56 0.00 0.00 55.97 53.92 1sql s LYS 7 Cb -0.20 -2.87 0.02 0.00 -1.46 0.00 0.00 37.83 33.32 1sql s LYS 7 CO -0.05 0.55 0.66 0.41 0.16 0.00 0.00 175.35 177.08 1sql n GLY 8 N 2.61 -0.30 3.67 5.54 0.00 -1.10 -4.91 105.19 110.68 1sql n GLY 8 Ca -0.18 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -6.87 4.26 -0.24 0.99 1.43 0.16 -4.74 118.68 113.67 1sql s LEU 9 Ca 0.12 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 1sql s LEU 9 Cb -0.06 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1sql s LEU 9 CO 0.84 -0.79 0.11 -0.75 0.23 0.00 0.00 176.35 176.00 1sql s LYS 10 N 3.33 3.86 0.01 1.70 2.20 -1.26 0.10 119.74 129.68 1sql s LYS 10 Ca 0.62 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.87 1sql s LYS 10 Cb -0.27 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1sql s LYS 10 CO 0.22 -0.06 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.02 1sql s PHE 11 N 1.34 0.55 -0.10 4.03 0.08 -0.59 -4.97 117.98 118.32 1sql s PHE 11 Ca 0.06 -0.26 -0.16 0.00 0.12 0.00 0.00 56.93 56.69 1sql s PHE 11 Cb -0.15 -0.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.91 1sql s PHE 11 CO 0.05 -0.04 0.42 -0.47 -0.10 0.00 0.00 175.22 175.08 1sql s TYR 12 N -0.64 3.56 0.34 0.36 6.14 -1.26 -0.48 117.35 125.37 1sql s TYR 12 Ca -0.03 0.85 0.02 0.00 0.64 0.00 0.00 57.07 58.55 1sql s TYR 12 Cb -0.05 -2.44 -0.01 0.00 0.42 0.00 0.00 41.96 39.88 1sql s TYR 12 CO 0.00 0.30 0.41 0.41 0.64 0.00 0.00 175.55 177.31 1sql n GLY 13 N 2.93 2.42 1.97 8.97 0.00 -0.01 -4.45 105.19 117.01 1sql n GLY 13 Ca -0.10 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.60 2.05 -3.60 1.61 3.01 -1.26 -1.27 117.46 117.40 1sql n PHE 14 Ca 0.03 -2.06 -0.33 0.00 1.01 0.00 0.00 57.45 56.10 1sql n PHE 14 Cb 0.59 -0.30 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 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 -3.47 3.53 0.00 1.38 3.76 -1.26 -4.09 115.29 115.14 1sql s HIS 15 Ca 0.45 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1sql s HIS 15 Cb 0.39 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1sql s HIS 15 CO 0.00 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 1sql n GLY 16 N 0.54 2.96 0.13 -2.22 0.00 -0.63 -4.74 105.19 101.22 1sql n GLY 16 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.66 -2.75 4.61 0.00 -1.74 -3.37 119.26 116.67 1sql h ALA 17 Ca 0.00 -0.53 -0.56 0.00 0.00 0.00 0.00 54.91 53.81 1sql h ALA 17 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1sql h ALA 17 CO 0.00 0.67 0.02 0.42 0.00 0.00 0.00 179.25 180.36 1sql s ILE 18 N -2.97 5.04 0.19 0.00 1.01 -1.26 -4.99 121.20 118.22 1sql s ILE 18 Ca 0.02 1.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.74 1sql s ILE 18 Cb 0.08 -3.97 0.09 0.00 0.01 0.00 0.00 42.46 38.67 1sql s ILE 18 CO 0.76 0.31 1.56 0.00 0.00 0.00 0.00 174.94 177.57 1sql h ALA 19 N 6.48 -0.19 -0.71 9.38 0.00 -2.02 0.41 119.26 132.61 1sql h ALA 19 Ca -0.42 0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.84 1sql h ALA 19 Cb 1.19 1.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 1sql h ALA 19 CO 0.74 -0.77 0.50 0.93 0.00 0.00 0.00 179.25 180.64 1sql h GLU 20 N -0.11 0.12 -0.59 0.00 3.07 -1.97 -0.79 114.58 114.31 1sql h GLU 20 Ca 0.23 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1sql h GLU 20 Cb 0.55 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1sql h GLU 20 CO -0.82 0.08 0.35 0.93 -1.40 0.00 0.00 179.01 178.15 1sql h GLU 21 N 0.13 0.79 0.00 2.33 5.08 -1.27 0.07 114.58 121.71 1sql h GLU 21 Ca 0.34 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1sql h GLU 21 Cb 1.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1sql h GLU 21 CO -0.05 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1sql h ARG 22 N 0.81 0.00 0.00 2.33 3.08 -1.16 -0.03 114.38 119.41 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 -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1sql h ARG 22 CO -0.04 0.00 -1.43 0.25 -1.07 0.00 0.00 179.97 177.68 1sql n THR 23 N -2.71 0.00 -0.07 2.04 -2.24 -0.98 -4.65 114.28 105.67 1sql n THR 23 Ca 0.03 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 1sql n THR 23 Cb 0.39 0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.84 2.80 0.00 3.22 7.94 -0.02 -5.12 117.00 123.97 1sql n LEU 24 Ca -0.02 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1sql n LEU 24 Cb 0.30 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.25 1sql n LEU 24 CO 0.26 0.89 0.00 0.61 -1.11 0.00 0.00 177.39 178.03 1sql n GLY 25 N 2.11 -1.23 3.80 -3.96 0.00 -0.03 -5.04 105.19 100.85 1sql n GLY 25 Ca -0.40 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.53 0.72 0.22 1.61 -2.07 -0.40 -5.00 119.66 113.22 1sql s GLN 26 Ca 0.00 -0.44 -0.16 0.00 -1.82 0.00 0.00 55.36 52.94 1sql s GLN 26 Cb 0.00 0.22 -0.08 0.00 -1.09 0.00 0.00 33.01 32.06 1sql s GLN 26 CO 0.00 -0.34 0.66 -1.64 -1.32 0.00 0.00 175.29 172.65 1sql s MET 27 N -2.38 4.08 0.07 9.60 -1.94 -1.26 -0.83 119.30 126.64 1sql s MET 27 Ca 0.20 0.67 0.06 0.00 -1.71 0.00 0.00 55.69 54.91 1sql s MET 27 Cb 0.01 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1sql s MET 27 CO 0.00 0.37 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.14 1sql s PHE 28 N -1.62 1.48 -0.09 -0.03 0.40 0.37 -4.25 117.98 114.24 1sql s PHE 28 Ca 0.44 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1sql s PHE 28 Cb -0.14 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1sql s PHE 28 CO 0.20 0.10 -0.10 -0.51 0.70 0.00 0.00 175.22 175.61 1sql s LEU 29 N -1.57 2.93 -0.05 -0.37 1.02 0.78 -1.54 118.68 119.87 1sql s LEU 29 Ca 0.03 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.02 1sql s LEU 29 Cb -0.09 -1.64 0.02 0.00 0.02 0.00 0.00 46.19 44.50 1sql s LEU 29 CO 0.03 0.29 -0.04 -0.69 0.02 0.00 0.00 176.35 175.95 1sql s VAL 30 N -0.36 0.55 -0.12 -1.59 1.01 0.11 -0.80 120.40 119.20 1sql s VAL 30 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1sql s VAL 30 Cb -0.12 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1sql s VAL 30 CO 0.02 0.24 -0.19 -1.81 0.00 0.00 0.00 175.10 173.36 1sql s ASP 31 N 1.11 3.47 -0.08 3.32 1.01 -0.34 0.40 116.67 125.55 1sql s ASP 31 Ca -0.08 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.71 1sql s ASP 31 Cb -0.14 -1.50 0.02 0.00 1.01 0.00 0.00 42.92 42.31 1sql s ASP 31 CO -0.01 0.14 -0.09 -0.63 0.21 0.00 0.00 175.17 174.79 1sql s ILE 32 N 0.47 0.97 -0.22 0.77 1.01 0.44 -1.06 121.20 123.59 1sql s ILE 32 Ca -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1sql s ILE 32 Cb -0.17 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1sql s ILE 32 CO 0.05 0.33 -0.12 -1.81 0.00 0.00 0.00 174.94 173.40 1sql s ASP 33 N 1.07 3.83 -0.26 3.58 -0.00 -0.41 -0.94 116.67 123.54 1sql s ASP 33 Ca -0.07 -0.72 -0.05 0.00 -0.00 0.00 0.00 52.55 51.70 1sql s ASP 33 Cb -0.14 -1.59 0.00 0.00 -0.00 0.00 0.00 42.92 41.18 1sql s ASP 33 CO -0.01 -0.06 0.01 0.00 -0.00 0.00 0.00 175.17 175.12 1sql s ALA 34 N 1.32 2.93 -0.26 5.23 0.00 -0.22 -0.43 121.76 130.32 1sql s ALA 34 Ca 0.03 -1.32 -0.26 0.00 0.00 0.00 0.00 51.96 50.41 1sql s ALA 34 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1sql s ALA 34 CO -0.08 -0.68 0.91 -1.58 0.00 0.00 0.00 175.76 174.33 1sql s TRP 35 N 1.47 3.28 -0.00 0.00 0.51 0.28 -0.49 118.94 123.99 1sql s TRP 35 Ca 0.04 1.18 -0.27 0.00 -2.12 0.00 0.00 56.10 54.93 1sql s TRP 35 Cb -0.16 -3.23 0.06 0.00 -0.81 0.00 0.00 33.47 29.33 1sql s TRP 35 CO -0.01 -0.50 0.60 0.54 -0.51 0.00 0.00 176.95 177.07 1sql s VAL 36 N 3.07 0.01 0.15 4.03 0.11 -1.12 0.29 120.40 126.94 1sql s VAL 36 Ca 0.38 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 1sql s VAL 36 Cb -0.15 -0.96 -0.07 0.00 -1.53 0.00 0.00 36.38 33.68 1sql s VAL 36 CO 0.09 -0.06 1.02 -0.55 -3.33 0.00 0.00 175.10 172.27 1sql s SER 37 N -1.55 7.41 0.00 3.54 0.15 -1.26 -3.79 113.70 118.20 1sql s SER 37 Ca -0.09 1.93 0.06 0.00 0.70 0.00 0.00 55.95 58.56 1sql s SER 37 Cb -0.01 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.77 1sql s SER 37 CO 0.04 -0.11 0.76 0.18 1.20 0.00 0.00 173.24 175.31 1sql n LEU 38 N 2.51 1.66 0.16 3.45 4.77 -1.26 -4.75 117.00 123.54 1sql n LEU 38 Ca 0.02 -1.15 -0.14 0.00 -0.03 0.00 0.00 56.01 54.72 1sql n LEU 38 Cb 0.48 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1sql n LEU 38 CO 0.52 0.36 0.77 0.50 -1.33 0.00 0.00 177.39 178.21 1sql h LYS 39 N 1.20 -0.35 -0.28 3.23 1.63 -1.95 0.09 116.57 120.14 1sql h LYS 39 Ca 0.00 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1sql h LYS 39 Cb 0.31 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1sql h LYS 39 CO 0.00 -0.23 -0.06 -0.22 -3.45 0.00 0.00 179.45 175.49 1sql h LYS 40 N -0.36 0.01 -0.55 1.90 3.64 -1.90 -1.18 116.57 118.13 1sql h LYS 40 Ca -0.02 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1sql h LYS 40 Cb 0.30 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1sql h LYS 40 CO 0.02 0.01 0.09 0.00 -2.27 0.00 0.00 179.45 177.30 1sql h ALA 41 N 1.27 1.12 0.00 5.00 0.00 -1.71 -0.95 119.26 124.00 1sql h ALA 41 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sql h ALA 41 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sql h ALA 41 CO -0.28 0.58 -0.05 0.78 0.00 0.00 0.00 179.25 180.28 1sql h GLY 42 N 0.99 0.00 0.26 0.00 0.00 0.05 0.28 103.07 104.65 1sql h GLY 42 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 1sql h GLY 42 CO 0.01 0.00 -2.01 1.18 0.00 0.00 0.00 176.54 175.71 1sql n GLU 43 N -3.36 0.66 -0.05 4.80 1.02 -0.55 -4.53 120.64 118.64 1sql n GLU 43 Ca -0.02 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.02 1sql n GLU 43 Cb 0.20 -1.59 -0.15 0.00 -0.02 0.00 0.00 31.44 29.88 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 -2.63 0.53 -1.37 1.62 3.41 -0.41 -4.98 113.62 109.79 1sql n SER 44 Ca -0.18 0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 1sql n SER 44 Cb 0.89 0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 65.17 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 -2.93 -4.59 -4.43 4.04 2.03 0.95 -4.99 116.55 106.63 1sql n ASP 45 Ca -0.23 0.18 -0.38 0.00 0.52 0.00 0.00 54.79 54.88 1sql n ASP 45 Cb 1.09 -3.54 -0.12 0.00 -0.72 0.00 0.00 41.12 37.83 1sql n ASP 45 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1sql s ASN 46 N -2.61 5.33 0.54 1.67 2.47 -1.26 -5.00 114.94 116.09 1sql s ASN 46 Ca 0.00 -0.43 0.24 0.00 0.42 0.00 0.00 52.86 53.09 1sql s ASN 46 Cb 0.00 -1.95 1.43 0.00 -1.45 0.00 0.00 41.25 39.28 1sql s ASN 46 CO 0.00 -0.13 2.07 0.25 -3.72 0.00 0.00 177.10 175.57 1sql h LEU 47 N 8.29 0.00 -1.79 3.21 5.85 -1.94 0.14 115.31 129.07 1sql h LEU 47 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1sql h LEU 47 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1sql h LEU 47 CO 0.60 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 178.37 1sql h GLU 48 N 0.00 0.00 -0.02 1.25 5.08 -2.01 -1.53 114.58 117.36 1sql h GLU 48 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1sql h GLU 48 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1sql h GLU 48 CO -0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1sql n ASP 49 N -2.83 0.63 -1.23 1.42 8.00 0.04 -4.87 116.55 117.70 1sql n ASP 49 Ca -0.00 -1.26 -0.01 0.00 0.71 0.00 0.00 54.79 54.22 1sql n ASP 49 Cb 0.19 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.49 0.00 -3.99 -3.53 5.66 -0.58 -4.18 114.28 107.17 1sql n THR 50 Ca 0.21 -0.12 -0.34 0.00 -3.05 0.00 0.00 64.05 60.75 1sql n THR 50 Cb 0.20 0.05 -0.15 0.00 -1.55 0.00 0.00 70.33 68.89 1sql n THR 50 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1sql s ILE 51 N -1.94 2.74 0.17 1.09 1.09 -1.26 -4.99 121.20 118.10 1sql s ILE 51 Ca 0.02 -0.95 -0.34 0.00 -1.10 0.00 0.00 60.65 58.28 1sql s ILE 51 Cb 0.00 -2.33 -0.14 0.00 -1.06 0.00 0.00 42.46 38.93 1sql s ILE 51 CO 0.01 0.30 1.54 -0.24 -0.10 0.00 0.00 174.94 176.45 1sql n SER 52 N 4.67 2.95 0.05 3.58 2.88 -1.26 -4.82 113.62 121.66 1sql n SER 52 Ca -0.18 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.56 1sql n SER 52 Cb 0.48 -1.41 0.44 0.00 -0.75 0.00 0.00 64.21 62.97 1sql n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sql n TYR 53 N 3.14 0.33 0.00 0.66 -0.00 -1.26 -2.29 117.16 117.73 1sql n TYR 53 Ca 0.16 0.12 -0.15 0.00 -0.00 0.00 0.00 57.90 58.03 1sql n TYR 53 Cb 0.29 -0.69 -0.03 0.00 -0.00 0.00 0.00 39.34 38.91 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 1.31 -0.14 -3.48 2.07 -1.99 -1.21 116.25 112.82 1sql h VAL 54 Ca 0.00 -2.02 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 1sql h VAL 54 Cb 0.40 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1sql h VAL 54 CO 0.00 0.63 -0.45 0.44 0.02 0.00 0.00 177.57 178.21 1sql h ASP 55 N 0.45 0.35 -0.23 0.57 3.32 -1.83 0.03 116.42 119.09 1sql h ASP 55 Ca -0.04 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.70 1sql h ASP 55 Cb 1.36 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1sql h ASP 55 CO 0.15 0.76 -0.44 0.40 -1.72 0.00 0.00 179.24 178.39 1sql h ILE 56 N 0.27 1.31 -0.22 0.35 2.04 -1.47 -1.73 117.51 118.07 1sql h ILE 56 Ca 0.02 -1.65 0.03 0.00 1.00 0.00 0.00 64.86 64.26 1sql h ILE 56 Cb 0.90 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1sql h ILE 56 CO 0.07 0.52 0.03 0.15 0.00 0.00 0.00 178.15 178.92 1sql h PHE 57 N 0.41 0.05 -0.59 1.37 3.57 -1.04 -0.71 116.94 119.99 1sql h PHE 57 Ca 0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1sql h PHE 57 Cb 1.04 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1sql h PHE 57 CO 0.08 0.00 0.35 1.03 -2.23 0.00 0.00 178.31 177.55 1sql h SER 58 N 0.11 0.56 -0.36 0.41 0.87 -0.94 0.70 113.55 114.90 1sql h SER 58 Ca 0.10 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1sql h SER 58 Cb 0.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1sql h SER 58 CO -0.14 0.39 0.20 0.25 -0.53 0.00 0.00 176.83 177.00 1sql h LEU 59 N 0.69 0.45 -0.61 2.23 6.46 -0.99 -1.13 115.31 122.40 1sql h LEU 59 Ca 0.24 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1sql h LEU 59 Cb 0.05 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 1sql h LEU 59 CO -0.12 0.40 0.37 0.00 -0.62 0.00 0.00 178.44 178.48 1sql h ALA 60 N 1.07 0.79 0.31 1.25 0.00 -0.39 -2.45 119.26 119.84 1sql h ALA 60 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sql h ALA 60 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sql h ALA 60 CO -0.02 0.12 -0.22 -0.22 0.00 0.00 0.00 179.25 178.91 1sql h LYS 61 N 0.74 -0.51 -0.97 0.00 3.64 -0.57 -1.63 116.57 117.28 1sql h LYS 61 Ca 0.24 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.77 1sql h LYS 61 Cb 0.01 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1sql h LYS 61 CO -0.10 -0.34 0.60 0.93 -2.27 0.00 0.00 179.45 178.27 1sql h GLU 62 N -0.53 0.92 0.45 1.90 5.08 -1.04 -0.82 114.58 120.55 1sql h GLU 62 Ca -0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1sql h GLU 62 Cb 0.45 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1sql h GLU 62 CO 0.01 0.61 -0.21 0.82 -1.00 0.00 0.00 179.01 179.24 1sql h ILE 63 N 0.95 0.43 -0.48 3.13 1.08 -1.25 -1.12 117.51 120.25 1sql h ILE 63 Ca 0.48 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1sql h ILE 63 Cb 0.47 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1sql h ILE 63 CO -0.27 0.07 0.27 0.58 -0.69 0.00 0.00 178.15 178.12 1sql h VAL 64 N -0.94 1.14 -0.05 1.67 2.07 -1.11 -0.30 116.25 118.73 1sql h VAL 64 Ca -0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1sql h VAL 64 Cb 0.57 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1sql h VAL 64 CO 0.10 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1sql n GLU 65 N -4.43 1.68 0.00 1.57 1.02 -0.33 -4.40 120.64 115.75 1sql n GLU 65 Ca 0.04 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.19 1sql n GLU 65 Cb 0.09 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 1.16 -1.60 3.62 0.62 0.00 -0.12 -4.91 105.19 103.96 1sql n GLY 66 Ca 0.18 -1.52 -0.46 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.03 2.00 -4.73 1.61 7.64 -1.26 -4.71 113.62 113.13 1sql n SER 67 Ca 0.00 1.15 -0.42 0.00 1.01 0.00 0.00 58.87 60.61 1sql n SER 67 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 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 -0.60 4.21 0.39 1.43 0.04 -1.26 -4.95 135.00 134.25 1sql s PRO 68 Ca 0.68 2.39 0.08 0.00 0.04 0.00 0.00 61.00 64.19 1sql s PRO 68 Cb -0.74 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.62 1sql s PRO 68 CO 0.52 -0.58 0.06 1.03 0.04 0.00 0.00 177.00 178.08 1sql s ARG 69 N 0.67 2.08 -0.09 4.56 1.81 -1.26 -4.98 118.95 121.74 1sql s ARG 69 Ca 0.68 -1.90 -0.23 0.00 -1.72 0.00 0.00 55.73 52.56 1sql s ARG 69 Cb -0.44 -1.85 -0.29 0.00 -0.45 0.00 0.00 34.95 31.92 1sql s ARG 69 CO 0.35 -0.01 0.77 -0.91 -0.68 0.00 0.00 175.30 174.83 1sql h ASN 70 N 1.68 0.30 -3.28 0.23 2.35 -1.93 -1.68 115.58 113.24 1sql h ASN 70 Ca -0.43 -0.93 -0.66 0.00 -0.55 0.00 0.00 56.30 53.73 1sql h ASN 70 Cb 1.25 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 39.40 1sql h ASN 70 CO 0.72 1.32 -0.62 -0.76 -1.65 0.00 0.00 177.43 176.44 1sql s LEU 71 N -7.93 3.63 0.36 1.61 1.43 -1.26 -2.25 118.68 114.27 1sql s LEU 71 Ca -0.17 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1sql s LEU 71 Cb 0.01 -2.12 0.68 0.00 0.03 0.00 0.00 46.19 44.78 1sql s LEU 71 CO 0.77 0.26 1.89 -0.07 0.23 0.00 0.00 176.35 179.43 1sql h LEU 72 N 4.15 0.37 -0.84 1.79 3.38 -1.96 -2.36 115.31 119.84 1sql h LEU 72 Ca -0.49 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 57.53 1sql h LEU 72 Cb 1.18 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1sql h LEU 72 CO 0.59 0.48 0.46 -0.33 0.09 0.00 0.00 178.44 179.74 1sql h GLU 73 N 0.38 0.71 0.02 1.13 3.07 -1.95 0.19 114.58 118.12 1sql h GLU 73 Ca 0.08 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1sql h GLU 73 Cb 0.36 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1sql h GLU 73 CO 0.02 0.47 -0.01 1.15 -1.40 0.00 0.00 179.01 179.24 1sql h THR 74 N 0.73 1.14 -0.70 1.13 2.02 -1.85 -1.26 112.91 114.13 1sql h THR 74 Ca 0.43 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 1sql h THR 74 Cb 0.48 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1sql h THR 74 CO -0.29 0.13 0.19 0.58 0.37 0.00 0.00 175.52 176.50 1sql h VAL 75 N -0.24 1.26 -0.33 3.16 2.07 -1.30 -0.03 116.25 120.84 1sql h VAL 75 Ca -0.00 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1sql h VAL 75 Cb 0.23 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1sql h VAL 75 CO 0.00 0.36 0.08 0.00 0.02 0.00 0.00 177.57 178.03 1sql h ALA 76 N 1.09 0.43 -0.96 1.67 0.00 -0.64 -1.28 119.26 119.57 1sql h ALA 76 Ca 0.22 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1sql h ALA 76 Cb 0.34 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1sql h ALA 76 CO -0.00 0.10 0.62 1.49 0.00 0.00 0.00 179.25 181.46 1sql h GLU 77 N 0.37 1.16 -0.32 0.00 4.57 -0.92 -0.37 114.58 119.06 1sql h GLU 77 Ca 0.10 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1sql h GLU 77 Cb 0.30 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1sql h GLU 77 CO 0.00 0.77 0.16 -0.07 -1.18 0.00 0.00 179.01 178.69 1sql h LEU 78 N 1.20 0.42 -0.61 1.64 3.38 -0.69 -0.96 115.31 119.68 1sql h LEU 78 Ca 0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1sql h LEU 78 Cb 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1sql h LEU 78 CO -0.13 0.42 0.38 0.40 0.09 0.00 0.00 178.44 179.60 1sql h ILE 79 N 0.39 1.18 0.00 1.22 2.04 -0.60 -0.58 117.51 121.15 1sql h ILE 79 Ca 0.11 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1sql h ILE 79 Cb 0.11 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1sql h ILE 79 CO -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 178.15 178.31 1sql h ALA 80 N 1.20 -0.00 -0.27 1.87 0.00 -0.86 -1.70 119.26 119.49 1sql h ALA 80 Ca 0.22 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1sql h ALA 80 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1sql h ALA 80 CO -0.04 -0.29 -0.42 0.66 0.00 0.00 0.00 179.25 179.16 1sql h SER 81 N -0.42 0.70 0.19 0.00 4.64 -1.19 -1.73 113.55 115.75 1sql h SER 81 Ca -0.00 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1sql h SER 81 Cb 0.42 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1sql h SER 81 CO 0.00 1.03 -0.38 0.50 -0.87 0.00 0.00 176.83 177.11 1sql h LYS 82 N 0.54 0.27 -0.09 4.77 1.63 -1.16 -0.59 116.57 121.94 1sql h LYS 82 Ca 0.04 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1sql h LYS 82 Cb 0.95 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1sql h LYS 82 CO 0.09 0.61 -0.13 1.15 -3.45 0.00 0.00 179.45 177.72 1sql h THR 83 N 0.23 1.39 -0.77 1.00 2.02 -0.97 0.32 112.91 116.12 1sql h THR 83 Ca 0.02 -1.37 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 1sql h THR 83 Cb 0.78 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 1sql h THR 83 CO 0.06 0.39 0.32 -0.07 0.37 0.00 0.00 175.52 176.59 1sql h LEU 84 N -0.21 1.04 -0.26 2.58 3.38 -1.26 -1.25 115.31 119.34 1sql h LEU 84 Ca 0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1sql h LEU 84 Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1sql h LEU 84 CO 0.03 0.92 -0.06 -0.33 0.09 0.00 0.00 178.44 179.09 1sql h GLU 85 N 1.10 0.49 -0.36 1.13 5.08 -1.07 -3.29 114.58 117.66 1sql h GLU 85 Ca 0.26 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1sql h GLU 85 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1sql h GLU 85 CO -0.02 0.71 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.24 1sql h LYS 86 N 0.24 0.80 -4.51 2.33 3.64 -0.75 -3.41 116.57 114.91 1sql h LYS 86 Ca 0.06 -0.38 -0.69 0.00 -1.27 0.00 0.00 60.65 58.37 1sql h LYS 86 Cb 0.53 -0.01 -0.34 0.00 -0.41 0.00 0.00 32.23 32.00 1sql h LYS 86 CO 0.03 1.01 -0.56 -0.06 -2.27 0.00 0.00 179.45 177.59 1sql s PHE 87 N -4.52 3.56 0.35 1.91 0.08 -0.49 -4.98 117.98 113.88 1sql s PHE 87 Ca -0.12 -2.35 0.07 0.00 0.12 0.00 0.00 56.93 54.65 1sql s PHE 87 Cb 0.10 -3.11 0.76 0.00 -0.57 0.00 0.00 43.02 40.20 1sql s PHE 87 CO 0.84 -0.95 1.89 1.12 -0.10 0.00 0.00 175.22 178.01 1sql h HIS 88 N 8.05 0.85 0.00 0.36 2.07 -1.80 -2.37 115.15 122.30 1sql h HIS 88 Ca -0.14 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.40 1sql h HIS 88 Cb 1.05 -0.27 -0.00 0.00 2.57 0.00 0.00 27.41 30.76 1sql h HIS 88 CO 0.56 0.35 -0.01 1.96 -3.07 0.00 0.00 177.93 177.72 1sql h GLN 89 N 0.75 0.00 -6.24 5.12 4.20 -1.94 -3.42 115.11 113.58 1sql h GLN 89 Ca 0.42 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.57 1sql h GLN 89 Cb 0.58 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1sql h GLN 89 CO -0.18 0.01 0.77 0.42 -0.67 0.00 0.00 178.83 179.17 1sql s ILE 90 N -4.23 4.31 0.05 2.54 1.09 -0.90 -4.59 121.20 119.48 1sql s ILE 90 Ca -0.04 1.61 0.03 0.00 -1.10 0.00 0.00 60.65 61.15 1sql s ILE 90 Cb 0.13 -4.04 -0.25 0.00 -1.06 0.00 0.00 42.46 37.25 1sql s ILE 90 CO 0.47 -0.06 1.03 0.78 -0.10 0.00 0.00 174.94 177.06 1sql h ASN 91 N 7.69 0.19 -4.99 3.58 2.35 -0.43 -3.45 115.58 120.52 1sql h ASN 91 Ca -0.31 -0.24 0.08 0.00 -0.55 0.00 0.00 56.30 55.28 1sql h ASN 91 Cb 1.14 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 1sql h ASN 91 CO 0.91 1.19 0.34 0.00 -1.65 0.00 0.00 177.43 178.23 1sql s ALA 92 N -2.66 -1.57 -0.08 -0.83 0.00 -1.22 -1.32 121.76 114.10 1sql s ALA 92 Ca -0.04 0.33 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1sql s ALA 92 Cb 0.08 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1sql s ALA 92 CO 0.84 -0.88 0.24 0.54 0.00 0.00 0.00 175.76 176.50 1sql s VAL 93 N -3.55 0.01 -0.14 0.00 0.11 0.59 -0.56 120.40 116.87 1sql s VAL 93 Ca 0.07 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1sql s VAL 93 Cb -0.02 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1sql s VAL 93 CO -0.04 -0.06 -0.16 -0.60 -3.33 0.00 0.00 175.10 170.91 1sql s ARG 94 N -0.14 3.23 -0.13 1.54 3.52 0.42 -0.61 118.95 126.78 1sql s ARG 94 Ca -0.03 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1sql s ARG 94 Cb -0.03 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 1sql s ARG 94 CO 0.01 0.09 -0.21 0.08 -0.81 0.00 0.00 175.30 174.46 1sql s VAL 95 N 0.61 1.96 -0.24 7.11 1.01 -0.22 -1.28 120.40 129.34 1sql s VAL 95 Ca -0.09 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1sql s VAL 95 Cb -0.16 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1sql s VAL 95 CO 0.03 0.53 -0.09 -0.54 0.00 0.00 0.00 175.10 175.03 1sql s LYS 96 N 0.83 2.69 -0.15 2.72 1.02 -0.22 -1.37 119.74 125.25 1sql s LYS 96 Ca -0.07 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 54.86 1sql s LYS 96 Cb -0.15 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1sql s LYS 96 CO -0.01 -0.42 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.66 1sql s LEU 97 N 1.26 2.41 0.04 3.17 2.96 -0.84 -1.20 118.68 126.48 1sql s LEU 97 Ca -0.02 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1sql s LEU 97 Cb -0.17 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1sql s LEU 97 CO -0.06 0.08 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.58 1sql s SER 98 N 0.83 0.47 -0.28 3.68 0.01 0.02 -0.64 113.70 117.79 1sql s SER 98 Ca -0.05 -0.76 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1sql s SER 98 Cb -0.15 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1sql s SER 98 CO -0.01 -0.44 0.03 -0.54 0.41 0.00 0.00 173.24 172.69 1sql s LYS 99 N -2.72 2.94 0.45 12.44 1.02 -0.21 -0.16 119.74 133.50 1sql s LYS 99 Ca -0.03 -0.94 0.25 0.00 0.02 0.00 0.00 55.97 55.27 1sql s LYS 99 Cb -0.01 -3.23 0.68 0.00 -0.52 0.00 0.00 37.83 34.76 1sql s LYS 99 CO -0.05 -0.45 1.73 -1.00 -0.92 0.00 0.00 175.35 174.66 1sql h PRO 100 N 8.14 0.00 -3.38 -1.68 0.13 -1.79 -2.51 132.00 130.91 1sql h PRO 100 Ca -0.31 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.21 1sql h PRO 100 Cb 1.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 1sql h PRO 100 CO 0.59 0.12 -0.72 -0.80 -0.23 0.00 0.00 178.00 176.96 1sql s ASN 101 N -6.11 3.98 -0.14 1.44 0.01 -1.26 -4.62 114.94 108.24 1sql s ASN 101 Ca 0.04 -2.43 -0.24 0.00 -0.71 0.00 0.00 52.86 49.52 1sql s ASN 101 Cb 0.07 -1.17 -0.02 0.00 0.41 0.00 0.00 41.25 40.54 1sql s ASN 101 CO 0.64 -0.31 0.75 -0.69 -1.51 0.00 0.00 177.10 175.99 1sql s VAL 102 N 0.58 4.96 0.22 1.60 1.01 -1.26 -4.93 120.40 122.57 1sql s VAL 102 Ca 0.15 1.49 -0.32 0.00 0.00 0.00 0.00 61.98 63.31 1sql s VAL 102 Cb -0.23 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 1sql s VAL 102 CO -0.06 0.12 1.55 0.00 0.00 0.00 0.00 175.10 176.71 1sql n ALA 103 N 4.71 1.76 -0.47 5.51 0.00 -1.26 -2.27 120.51 128.49 1sql n ALA 103 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1sql n ALA 103 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 2.81 0.08 -4.54 0.00 7.99 -1.26 -4.98 117.00 117.10 1sql n LEU 104 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.70 1sql n LEU 104 Cb 0.32 -0.16 -0.05 0.00 -0.11 0.00 0.00 43.42 43.42 1sql n LEU 104 CO 0.63 -0.04 0.61 -0.63 -1.51 0.00 0.00 177.39 176.45 1sql s ILE 105 N -3.11 4.60 -0.32 -0.08 1.09 -0.96 -4.92 121.20 117.50 1sql s ILE 105 Ca 0.00 0.49 0.23 0.00 -1.10 0.00 0.00 60.65 60.26 1sql s ILE 105 Cb 0.00 -4.36 0.30 0.00 -1.06 0.00 0.00 42.46 37.34 1sql s ILE 105 CO 0.00 -0.76 1.63 0.11 -0.10 0.00 0.00 174.94 175.82 1sql h LYS 106 N 9.02 0.00 -6.56 2.79 1.57 -1.94 -3.46 116.57 117.99 1sql h LYS 106 Ca -0.25 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.09 1sql h LYS 106 Cb 1.08 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.42 1sql h LYS 106 CO 0.98 0.08 -0.18 -1.54 -0.57 0.00 0.00 179.45 178.22 1sql s SER 107 N -6.20 5.42 0.20 0.86 1.04 -1.26 -5.08 113.70 108.69 1sql s SER 107 Ca 0.06 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.69 1sql s SER 107 Cb 0.06 -0.39 -0.08 0.00 0.10 0.00 0.00 66.02 65.71 1sql s SER 107 CO 0.67 -0.99 1.06 -0.89 0.98 0.00 0.00 173.24 174.06 1sql s THR 108 N -2.50 3.90 0.26 2.02 2.01 -1.26 -5.05 115.64 115.03 1sql s THR 108 Ca 0.58 1.73 -0.10 0.00 0.31 0.00 0.00 61.69 64.20 1sql s THR 108 Cb -0.09 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 1sql s THR 108 CO 0.36 0.33 0.46 0.27 -0.69 0.00 0.00 174.62 175.35 1sql s ILE 109 N -0.54 0.00 -0.15 1.82 -4.36 -1.26 -5.08 121.20 111.63 1sql s ILE 109 Ca 0.47 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.28 1sql s ILE 109 Cb -0.29 -2.33 -0.07 0.00 1.25 0.00 0.00 42.46 41.03 1sql s ILE 109 CO 0.35 0.00 -0.05 0.44 0.24 0.00 0.00 174.94 175.92 1sql h ASP 110 N 2.25 0.00 -5.09 4.36 3.32 -1.96 -3.50 116.42 115.80 1sql h ASP 110 Ca -0.27 -0.13 0.27 0.00 0.02 0.00 0.00 57.03 56.91 1sql h ASP 110 Cb 1.25 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.66 1sql h ASP 110 CO 0.38 0.87 0.76 -0.72 -1.72 0.00 0.00 179.24 178.81 1sql s TYR 111 N -2.17 -0.11 -0.02 4.55 -0.85 -1.26 -4.50 117.35 112.99 1sql s TYR 111 Ca -0.16 -0.00 0.04 0.00 -0.52 0.00 0.00 57.07 56.43 1sql s TYR 111 Cb 0.02 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.90 1sql s TYR 111 CO 0.28 -0.33 -0.13 -0.51 -1.52 0.00 0.00 175.55 173.34 1sql s LEU 112 N -2.65 1.94 0.00 -3.49 1.43 -0.95 -4.96 118.68 110.01 1sql s LEU 112 Ca 0.12 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1sql s LEU 112 Cb 0.02 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1sql s LEU 112 CO -0.04 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1sql n GLY 113 N 2.96 1.35 3.51 -3.19 0.00 -1.26 -1.04 105.19 107.52 1sql n GLY 113 Ca -0.16 -0.73 -0.24 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 -2.37 2.55 -0.30 1.61 -7.23 0.19 -4.98 120.40 109.87 1sql s VAL 114 Ca 0.00 -2.29 -0.02 0.00 -1.81 0.00 0.00 61.98 57.86 1sql s VAL 114 Cb 0.00 -2.46 0.12 0.00 0.56 0.00 0.00 36.38 34.60 1sql s VAL 114 CO 0.00 -0.35 0.21 -0.62 -0.31 0.00 0.00 175.10 174.04 1sql s ASP 115 N -3.56 2.65 0.10 4.85 3.68 -1.26 -1.99 116.67 121.14 1sql s ASP 115 Ca 0.31 -1.14 0.07 0.00 2.13 0.00 0.00 52.55 53.93 1sql s ASP 115 Cb -0.03 0.03 -0.04 0.00 -1.45 0.00 0.00 42.92 41.43 1sql s ASP 115 CO 0.16 -0.40 -0.12 0.27 0.13 0.00 0.00 175.17 175.21 1sql s ILE 116 N 2.12 3.23 -0.14 4.11 -4.36 -0.47 -4.98 121.20 120.71 1sql s ILE 116 Ca 0.10 -1.30 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 1sql s ILE 116 Cb -0.15 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.08 1sql s ILE 116 CO -0.32 0.13 -0.18 0.12 0.24 0.00 0.00 174.94 174.93 1sql s PHE 117 N -1.18 2.39 -0.07 1.37 5.36 -1.26 -1.06 117.98 123.53 1sql s PHE 117 Ca 0.20 -1.27 0.03 0.00 -0.96 0.00 0.00 56.93 54.93 1sql s PHE 117 Cb -0.11 -1.69 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 1sql s PHE 117 CO 0.12 -0.63 -0.17 1.03 -1.46 0.00 0.00 175.22 174.11 1sql s ARG 118 N 1.12 2.12 0.00 10.12 1.81 0.22 -5.00 118.95 129.34 1sql s ARG 118 Ca -0.01 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 1sql s ARG 118 Cb -0.14 -1.70 -0.04 0.00 -0.45 0.00 0.00 34.95 32.62 1sql s ARG 118 CO -0.06 0.11 0.06 -0.65 -0.68 0.00 0.00 175.30 174.08 1sql s GLN 119 N 0.45 2.98 0.36 3.54 -0.21 -1.26 -0.30 119.66 125.22 1sql s GLN 119 Ca -0.14 -0.53 0.09 0.00 0.02 0.00 0.00 55.36 54.80 1sql s GLN 119 Cb -0.16 -2.80 0.82 0.00 1.00 0.00 0.00 33.01 31.87 1sql s GLN 119 CO 0.05 0.63 1.90 -0.09 -2.12 0.00 0.00 175.29 175.66 1sql h ARG 120 N 4.08 0.66 0.00 2.91 2.43 -1.51 -3.49 114.38 119.47 1sql h ARG 120 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1sql h ARG 120 Cb 1.18 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1sql h ARG 120 CO 0.61 0.44 0.00 -1.71 -1.51 0.00 0.00 179.97 177.80