#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 4.40 0.02 1.61 1.01 -1.26 -4.96 116.67 117.48 1sql s ASP 2 Ca 0.00 2.08 -0.28 0.00 0.71 0.00 0.00 52.55 55.06 1sql s ASP 2 Cb 0.00 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.45 1sql s ASP 2 CO 0.00 -2.11 0.68 -1.59 0.21 0.00 0.00 175.17 172.36 1sql s LYS 3 N -4.32 1.10 -0.07 8.23 -2.85 -1.26 -2.38 119.74 118.18 1sql s LYS 3 Ca 0.67 -0.03 -0.12 0.00 -1.00 0.00 0.00 55.97 55.50 1sql s LYS 3 Cb -0.22 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1sql s LYS 3 CO 0.48 -0.40 0.29 -0.51 0.10 0.00 0.00 175.35 175.31 1sql s LEU 4 N -1.80 4.41 -0.09 2.77 1.43 0.94 -4.88 118.68 121.46 1sql s LEU 4 Ca -0.05 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1sql s LEU 4 Cb -0.00 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1sql s LEU 4 CO 0.00 0.32 -0.22 -0.63 0.23 0.00 0.00 176.35 176.06 1sql s ILE 5 N -0.82 2.30 -0.25 -0.59 1.09 -1.26 -0.70 121.20 120.96 1sql s ILE 5 Ca 0.19 -0.96 0.02 0.00 -1.10 0.00 0.00 60.65 58.80 1sql s ILE 5 Cb -0.14 -1.88 0.06 0.00 -1.06 0.00 0.00 42.46 39.44 1sql s ILE 5 CO 0.08 0.56 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.67 1sql s LEU 6 N 0.07 2.98 -0.07 2.97 1.02 0.20 -5.01 118.68 120.84 1sql s LEU 6 Ca -0.10 -1.33 0.00 0.00 0.02 0.00 0.00 54.13 52.73 1sql s LEU 6 Cb -0.15 -1.31 -0.03 0.00 0.02 0.00 0.00 46.19 44.71 1sql s LEU 6 CO 0.06 -0.24 -0.06 -0.54 0.02 0.00 0.00 176.35 175.59 1sql s LYS 7 N 1.28 2.79 -1.44 1.70 -0.14 -1.26 -0.45 119.74 122.21 1sql s LYS 7 Ca -0.05 -0.53 -0.07 0.00 -1.36 0.00 0.00 55.97 53.96 1sql s LYS 7 Cb -0.19 -2.62 0.05 0.00 -1.68 0.00 0.00 37.83 33.38 1sql s LYS 7 CO -0.07 0.67 0.81 0.41 -0.76 0.00 0.00 175.35 176.41 1sql n GLY 8 N 2.22 -0.38 3.71 -3.33 0.00 -1.21 -4.94 105.19 101.25 1sql n GLY 8 Ca -0.18 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -7.01 4.35 -0.24 0.99 1.43 -0.19 -4.80 118.68 113.20 1sql s LEU 9 Ca 0.34 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.35 1sql s LEU 9 Cb -0.17 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 1sql s LEU 9 CO 0.83 -0.50 0.02 -0.54 0.23 0.00 0.00 176.35 176.40 1sql s LYS 10 N 1.36 3.43 0.05 1.70 1.02 -1.26 -0.00 119.74 126.04 1sql s LYS 10 Ca 0.58 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 56.02 1sql s LYS 10 Cb -0.28 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1sql s LYS 10 CO 0.27 -0.24 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.24 1sql s PHE 11 N 1.53 1.43 -0.17 3.18 0.08 -0.40 -4.94 117.98 118.70 1sql s PHE 11 Ca 0.05 -0.37 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 1sql s PHE 11 Cb -0.15 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1sql s PHE 11 CO 0.00 0.07 0.35 -0.47 -0.10 0.00 0.00 175.22 175.07 1sql s TYR 12 N -0.90 3.44 0.32 0.36 6.14 -1.26 -0.02 117.35 125.42 1sql s TYR 12 Ca 0.03 0.63 0.02 0.00 0.64 0.00 0.00 57.07 58.40 1sql s TYR 12 Cb -0.08 -2.43 -0.02 0.00 0.42 0.00 0.00 41.96 39.85 1sql s TYR 12 CO 0.02 0.14 0.34 0.20 0.64 0.00 0.00 175.55 176.89 1sql s GLY 13 N 0.70 1.85 -0.22 8.97 0.00 -0.11 -4.39 107.32 114.11 1sql s GLY 13 Ca 0.18 -1.78 0.13 0.00 0.00 0.00 0.00 44.72 43.26 1sql s GLY 13 CO 0.06 -1.26 1.19 0.69 0.00 0.00 0.00 173.10 173.78 1sql n PHE 14 N -0.55 1.24 -2.98 1.90 3.01 -1.26 -0.83 117.46 117.98 1sql n PHE 14 Ca 0.04 -1.74 -0.32 0.00 1.01 0.00 0.00 57.45 56.44 1sql n PHE 14 Cb 0.62 -0.27 -0.06 0.00 -0.01 0.00 0.00 39.48 39.77 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 -3.05 3.37 0.00 1.38 3.76 -1.26 -4.23 115.29 115.26 1sql s HIS 15 Ca 0.41 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.65 1sql s HIS 15 Cb 0.38 -2.64 0.00 0.00 1.11 0.00 0.00 32.58 31.44 1sql s HIS 15 CO -0.04 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.25 1sql n GLY 16 N -0.59 3.35 0.12 -2.22 0.00 -0.55 -4.75 105.19 100.54 1sql n GLY 16 Ca 0.05 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 0.37 -2.61 4.61 0.00 -1.85 -3.40 119.26 116.37 1sql h ALA 17 Ca 0.00 -1.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.15 1sql h ALA 17 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sql h ALA 17 CO 0.00 1.23 0.52 0.42 0.00 0.00 0.00 179.25 181.42 1sql s ILE 18 N -2.59 3.81 0.20 0.00 1.09 -1.26 -4.94 121.20 117.51 1sql s ILE 18 Ca -0.13 1.48 -0.11 0.00 -1.10 0.00 0.00 60.65 60.79 1sql s ILE 18 Cb 0.07 -3.94 0.13 0.00 -1.06 0.00 0.00 42.46 37.66 1sql s ILE 18 CO 0.83 0.21 1.73 0.00 -0.10 0.00 0.00 174.94 177.61 1sql h ALA 19 N 5.60 0.70 -0.08 9.38 0.00 -2.01 -0.70 119.26 132.15 1sql h ALA 19 Ca -0.44 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1sql h ALA 19 Cb 1.21 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sql h ALA 19 CO 0.75 -0.25 0.06 0.93 0.00 0.00 0.00 179.25 180.75 1sql h GLU 20 N 0.33 0.00 -0.29 0.00 3.07 -1.99 -1.17 114.58 114.53 1sql h GLU 20 Ca 0.29 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.05 1sql h GLU 20 Cb 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1sql h GLU 20 CO -0.32 0.00 -0.25 0.93 -1.40 0.00 0.00 179.01 177.97 1sql h GLU 21 N 0.00 0.57 0.00 2.33 5.08 -1.50 -0.72 114.58 120.33 1sql h GLU 21 Ca 0.04 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1sql h GLU 21 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1sql h GLU 21 CO -0.00 0.77 -0.52 0.00 -1.00 0.00 0.00 179.01 178.26 1sql h ARG 22 N 0.50 0.00 0.08 2.33 3.08 -1.10 0.92 114.38 120.19 1sql h ARG 22 Ca 0.07 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.81 1sql h ARG 22 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1sql h ARG 22 CO 0.05 0.52 -1.70 1.79 -1.07 0.00 0.00 179.97 179.56 1sql h THR 23 N 0.00 0.93 0.14 2.04 1.35 -1.32 -3.40 112.91 112.66 1sql h THR 23 Ca -0.01 -2.65 -0.26 0.00 -0.55 0.00 0.00 66.41 62.94 1sql h THR 23 Cb 1.04 2.59 0.01 0.00 -1.73 0.00 0.00 68.15 70.06 1sql h THR 23 CO 0.07 0.75 -1.27 0.25 -0.25 0.00 0.00 175.52 175.06 1sql h LEU 24 N 0.05 0.47 0.00 3.87 5.85 -1.15 -3.51 115.31 120.89 1sql h LEU 24 Ca -0.30 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.52 1sql h LEU 24 Cb 2.01 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1sql h LEU 24 CO 0.12 1.58 0.00 0.61 -0.34 0.00 0.00 178.44 180.40 1sql n GLY 25 N 1.73 -1.45 3.80 3.75 0.00 0.32 -5.03 105.19 108.31 1sql n GLY 25 Ca -0.21 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.55 1.34 0.27 1.61 -2.07 -0.01 -4.99 119.66 114.25 1sql s GLN 26 Ca 0.00 -0.80 -0.17 0.00 -1.82 0.00 0.00 55.36 52.57 1sql s GLN 26 Cb 0.00 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.25 1sql s GLN 26 CO 0.00 -0.62 0.72 -1.64 -1.32 0.00 0.00 175.29 172.43 1sql s MET 27 N -2.84 4.12 0.02 9.60 -1.94 -1.26 -0.94 119.30 126.06 1sql s MET 27 Ca 0.16 0.75 0.05 0.00 -1.71 0.00 0.00 55.69 54.94 1sql s MET 27 Cb -0.02 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 1sql s MET 27 CO 0.04 0.29 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.13 1sql s PHE 28 N -1.74 1.31 -0.17 -0.03 0.40 0.97 -4.36 117.98 114.36 1sql s PHE 28 Ca 0.48 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1sql s PHE 28 Cb -0.13 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1sql s PHE 28 CO 0.19 0.02 -0.06 -1.17 0.70 0.00 0.00 175.22 174.90 1sql s LEU 29 N -0.88 2.97 -0.08 -0.37 2.96 -0.26 -1.27 118.68 121.75 1sql s LEU 29 Ca 0.04 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1sql s LEU 29 Cb -0.07 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1sql s LEU 29 CO 0.01 0.10 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.27 1sql s VAL 30 N 0.78 1.52 -0.06 1.68 1.01 0.99 -0.85 120.40 125.48 1sql s VAL 30 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1sql s VAL 30 Cb -0.15 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1sql s VAL 30 CO 0.02 0.44 -0.17 -1.81 0.00 0.00 0.00 175.10 173.57 1sql s ASP 31 N 0.47 3.74 -0.04 3.32 1.01 0.27 -1.02 116.67 124.42 1sql s ASP 31 Ca -0.15 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.81 1sql s ASP 31 Cb -0.16 -0.91 0.03 0.00 1.01 0.00 0.00 42.92 42.89 1sql s ASP 31 CO 0.06 0.30 -0.00 -0.63 0.21 0.00 0.00 175.17 175.10 1sql s ILE 32 N -0.44 0.22 -0.22 0.77 1.01 0.40 -1.07 121.20 121.86 1sql s ILE 32 Ca 0.05 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.80 1sql s ILE 32 Cb -0.12 -0.32 0.04 0.00 0.01 0.00 0.00 42.46 42.07 1sql s ILE 32 CO 0.02 0.17 -0.16 -1.81 0.00 0.00 0.00 174.94 173.16 1sql s ASP 33 N 1.15 3.73 -0.25 3.58 -0.00 -0.76 -0.63 116.67 123.50 1sql s ASP 33 Ca -0.08 -0.99 -0.04 0.00 -0.00 0.00 0.00 52.55 51.43 1sql s ASP 33 Cb -0.13 -1.50 0.00 0.00 -0.00 0.00 0.00 42.92 41.29 1sql s ASP 33 CO -0.02 -0.09 -0.00 0.00 -0.00 0.00 0.00 175.17 175.06 1sql s ALA 34 N 1.21 2.89 -0.07 5.23 0.00 0.12 -1.67 121.76 129.47 1sql s ALA 34 Ca -0.01 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 1sql s ALA 34 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1sql s ALA 34 CO -0.09 -0.65 1.14 -1.58 0.00 0.00 0.00 175.76 174.57 1sql s TRP 35 N 1.46 3.31 -0.29 0.00 0.51 0.08 -0.04 118.94 123.97 1sql s TRP 35 Ca 0.04 1.34 -0.17 0.00 -2.12 0.00 0.00 56.10 55.19 1sql s TRP 35 Cb -0.16 -3.34 0.14 0.00 -0.81 0.00 0.00 33.47 29.30 1sql s TRP 35 CO -0.01 -0.95 0.98 0.54 -0.51 0.00 0.00 176.95 177.00 1sql s VAL 36 N 2.10 0.00 0.08 4.03 0.11 -1.00 -0.71 120.40 125.01 1sql s VAL 36 Ca 0.54 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.28 1sql s VAL 36 Cb -0.23 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.52 1sql s VAL 36 CO 0.21 0.00 1.92 -0.24 -3.33 0.00 0.00 175.10 173.66 1sql n SER 37 N 3.51 4.14 -0.90 3.54 2.88 -1.26 -4.24 113.62 121.28 1sql n SER 37 Ca -0.18 0.94 0.08 0.00 -1.33 0.00 0.00 58.87 58.38 1sql n SER 37 Cb 0.57 -1.54 0.21 0.00 -0.75 0.00 0.00 64.21 62.70 1sql n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sql n LEU 38 N 6.66 3.24 -0.05 2.46 4.77 -1.26 -4.61 117.00 128.21 1sql n LEU 38 Ca 0.19 -1.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.18 1sql n LEU 38 Cb 0.39 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1sql n LEU 38 CO 0.67 0.79 0.90 0.50 -1.33 0.00 0.00 177.39 178.92 1sql h LYS 39 N 2.98 0.29 0.81 3.23 3.64 -1.95 0.24 116.57 125.80 1sql h LYS 39 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1sql h LYS 39 Cb 0.82 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1sql h LYS 39 CO 0.00 0.28 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.86 1sql h LYS 40 N 0.22 -1.04 -0.49 1.90 3.64 -1.90 -2.21 116.57 116.68 1sql h LYS 40 Ca 0.07 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1sql h LYS 40 Cb 0.08 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1sql h LYS 40 CO -0.01 -0.70 0.33 0.00 -2.27 0.00 0.00 179.45 176.81 1sql h ALA 41 N -0.88 1.96 0.00 5.00 0.00 -1.72 0.26 119.26 123.89 1sql h ALA 41 Ca -0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1sql h ALA 41 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sql h ALA 41 CO 0.18 -0.05 -0.23 0.78 0.00 0.00 0.00 179.25 179.92 1sql h GLY 42 N 0.39 0.00 0.39 0.00 0.00 -0.62 0.10 103.07 103.33 1sql h GLY 42 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 1sql h GLY 42 CO -0.05 0.00 -1.73 1.18 0.00 0.00 0.00 176.54 175.94 1sql n GLU 43 N -3.85 0.64 -0.03 4.80 1.02 -0.08 -4.43 120.64 118.71 1sql n GLU 43 Ca -0.02 -0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 1sql n GLU 43 Cb 0.33 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.52 0.26 -2.36 1.62 3.41 -0.25 -4.98 113.62 108.79 1sql n SER 44 Ca -0.08 0.11 -0.20 0.00 -0.26 0.00 0.00 58.87 58.45 1sql n SER 44 Cb 0.69 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 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 -2.64 -5.62 -4.31 4.04 4.64 0.34 -4.99 116.55 108.02 1sql n ASP 45 Ca -0.17 -0.09 -0.34 0.00 -1.38 0.00 0.00 54.79 52.81 1sql n ASP 45 Cb 0.88 -4.60 -0.14 0.00 -1.04 0.00 0.00 41.12 36.22 1sql n ASP 45 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1sql s ASN 46 N -2.29 4.14 0.39 1.67 3.84 -1.26 -5.00 114.94 116.42 1sql s ASN 46 Ca 0.08 -0.40 0.13 0.00 0.21 0.00 0.00 52.86 52.88 1sql s ASN 46 Cb -0.03 -1.69 0.96 0.00 -0.55 0.00 0.00 41.25 39.94 1sql s ASN 46 CO 0.10 0.03 1.87 0.25 -2.79 0.00 0.00 177.10 176.55 1sql h LEU 47 N 7.77 0.51 -2.63 3.21 6.46 -1.94 -0.55 115.31 128.15 1sql h LEU 47 Ca -0.39 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1sql h LEU 47 Cb 1.17 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1sql h LEU 47 CO 0.60 0.23 -0.00 1.05 -0.62 0.00 0.00 178.44 179.70 1sql h GLU 48 N 0.53 0.00 -0.00 1.25 4.11 -2.01 -0.67 114.58 117.79 1sql h GLU 48 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1sql h GLU 48 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1sql h GLU 48 CO -0.19 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.64 1sql n ASP 49 N -3.61 0.23 -1.36 3.06 8.00 -0.21 -4.86 116.55 117.79 1sql n ASP 49 Ca -0.03 -1.09 -0.02 0.00 0.71 0.00 0.00 54.79 54.36 1sql n ASP 49 Cb 0.08 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.81 0.00 -4.82 -3.53 5.66 -0.26 -4.20 114.28 106.32 1sql n THR 50 Ca 0.23 -0.22 -0.33 0.00 -3.05 0.00 0.00 64.05 60.68 1sql n THR 50 Cb 0.15 0.10 -0.14 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 -1.98 3.08 -0.01 1.09 1.09 -1.26 -4.99 121.20 118.22 1sql s ILE 51 Ca 0.03 -0.68 -0.30 0.00 -1.10 0.00 0.00 60.65 58.60 1sql s ILE 51 Cb 0.00 -2.26 -0.05 0.00 -1.06 0.00 0.00 42.46 39.10 1sql s ILE 51 CO 0.02 0.55 1.27 -0.55 -0.10 0.00 0.00 174.94 176.14 1sql s SER 52 N -0.13 6.98 0.25 3.58 0.15 -1.26 -4.87 113.70 118.40 1sql s SER 52 Ca -0.01 1.96 0.22 0.00 0.70 0.00 0.00 55.95 58.83 1sql s SER 52 Cb -0.14 -2.56 0.98 0.00 -1.71 0.00 0.00 66.02 62.59 1sql s SER 52 CO 0.03 -0.61 1.68 0.00 1.20 0.00 0.00 173.24 175.54 1sql n TYR 53 N 5.01 0.75 0.03 3.44 -0.00 -1.26 -1.68 117.16 123.44 1sql n TYR 53 Ca 0.11 0.31 -0.08 0.00 -0.00 0.00 0.00 57.90 58.24 1sql n TYR 53 Cb 0.45 -1.00 0.08 0.00 -0.00 0.00 0.00 39.34 38.87 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 1.33 -0.23 -3.48 2.07 -1.99 -0.41 116.25 113.55 1sql h VAL 54 Ca 0.00 -1.82 -0.11 0.00 0.82 0.00 0.00 66.70 65.59 1sql h VAL 54 Cb 0.29 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1sql h VAL 54 CO 0.00 0.56 -0.29 0.44 0.02 0.00 0.00 177.57 178.30 1sql h ASP 55 N 0.36 0.65 -0.34 0.57 3.32 -1.71 -0.25 116.42 119.02 1sql h ASP 55 Ca 0.01 -0.50 0.04 0.00 0.02 0.00 0.00 57.03 56.60 1sql h ASP 55 Cb 1.08 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 1sql h ASP 55 CO 0.10 1.02 0.10 0.40 -1.72 0.00 0.00 179.24 179.13 1sql h ILE 56 N 0.29 0.87 -0.54 0.35 2.04 -1.41 0.15 117.51 119.26 1sql h ILE 56 Ca 0.03 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1sql h ILE 56 Cb 0.86 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1sql h ILE 56 CO 0.07 0.04 0.19 0.15 0.00 0.00 0.00 178.15 178.60 1sql h PHE 57 N 0.23 0.34 -0.63 1.37 3.57 -0.91 -1.67 116.94 119.24 1sql h PHE 57 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1sql h PHE 57 Cb 0.15 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1sql h PHE 57 CO -0.16 0.10 0.40 0.77 -2.23 0.00 0.00 178.31 177.19 1sql h SER 58 N 0.37 0.73 0.58 0.41 0.02 0.02 -0.74 113.55 114.95 1sql h SER 58 Ca 0.27 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1sql h SER 58 Cb 0.30 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.66 1sql h SER 58 CO -0.27 0.55 -0.28 0.25 -1.14 0.00 0.00 176.83 175.94 1sql h LEU 59 N 0.85 -0.66 -0.72 5.07 6.46 -0.57 -1.22 115.31 124.52 1sql h LEU 59 Ca 0.23 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.12 1sql h LEU 59 Cb -0.07 0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 39.95 1sql h LEU 59 CO -0.05 -0.47 0.32 0.00 -0.62 0.00 0.00 178.44 177.62 1sql h ALA 60 N -0.35 0.99 -0.22 1.25 0.00 -1.19 -1.20 119.26 118.54 1sql h ALA 60 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sql h ALA 60 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sql h ALA 60 CO 0.13 -0.12 0.14 -0.22 0.00 0.00 0.00 179.25 179.18 1sql h LYS 61 N 0.53 0.28 -0.55 0.00 3.64 -0.93 -0.18 116.57 119.36 1sql h LYS 61 Ca 0.37 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.81 1sql h LYS 61 Cb 0.46 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1sql h LYS 61 CO -0.32 0.19 0.20 0.93 -2.27 0.00 0.00 179.45 178.19 1sql h GLU 62 N 0.29 0.37 -0.11 1.90 4.39 -0.28 -1.66 114.58 119.48 1sql h GLU 62 Ca 0.08 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1sql h GLU 62 Cb -0.03 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1sql h GLU 62 CO -0.02 0.24 -0.05 0.82 -1.16 0.00 0.00 179.01 178.85 1sql h ILE 63 N 0.38 1.32 -0.06 3.13 2.04 -0.88 -1.93 117.51 121.51 1sql h ILE 63 Ca 0.27 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 1sql h ILE 63 Cb 0.31 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1sql h ILE 63 CO -0.27 0.31 -0.23 0.58 0.00 0.00 0.00 178.15 178.53 1sql h VAL 64 N -0.12 1.20 -0.09 1.67 2.07 -0.86 -2.64 116.25 117.48 1sql h VAL 64 Ca 0.02 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sql h VAL 64 Cb 0.51 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1sql h VAL 64 CO 0.02 0.27 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 1sql n GLU 65 N -4.22 2.09 -0.09 1.57 1.02 -0.64 -4.38 120.64 115.99 1sql n GLU 65 Ca -0.02 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1sql n GLU 65 Cb 0.31 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.30 -0.53 3.57 0.62 0.00 -0.73 -4.89 105.19 104.52 1sql n GLY 66 Ca 0.16 -1.72 -0.56 0.00 0.00 0.00 0.00 46.02 43.90 1sql n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sql n SER 67 N -1.74 0.94 -4.72 1.61 3.41 -1.26 -4.73 113.62 107.13 1sql n SER 67 Ca 0.00 1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 59.34 1sql n SER 67 Cb 0.00 -1.05 0.02 0.00 -0.26 0.00 0.00 64.21 62.91 1sql n SER 67 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1sql n PRO 68 N 2.30 1.99 -4.43 4.33 -0.04 -1.26 -4.99 135.00 132.91 1sql n PRO 68 Ca 0.20 0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 64.11 1sql n PRO 68 Cb 0.13 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.02 1sql n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sql s ARG 69 N -2.30 1.60 0.01 0.54 3.00 -1.26 -5.00 118.95 115.53 1sql s ARG 69 Ca 0.62 -1.57 -0.23 0.00 0.00 0.00 0.00 55.73 54.54 1sql s ARG 69 Cb -0.49 -1.85 -0.18 0.00 0.00 0.00 0.00 34.95 32.44 1sql s ARG 69 CO 0.57 0.38 1.28 -0.91 0.00 0.00 0.00 175.30 176.63 1sql h ASN 70 N 2.93 0.21 -3.16 0.23 2.35 -1.96 -1.46 115.58 114.72 1sql h ASN 70 Ca -0.45 -0.51 -0.64 0.00 -0.55 0.00 0.00 56.30 54.16 1sql h ASN 70 Cb 1.22 -0.06 -0.15 0.00 0.05 0.00 0.00 38.32 39.38 1sql h ASN 70 CO 0.51 0.68 -0.73 -0.76 -1.65 0.00 0.00 177.43 175.48 1sql s LEU 71 N -9.10 2.96 0.27 1.61 1.43 -1.26 -3.30 118.68 111.29 1sql s LEU 71 Ca -0.15 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1sql s LEU 71 Cb 0.03 -1.68 0.37 0.00 0.03 0.00 0.00 46.19 44.94 1sql s LEU 71 CO 0.72 0.12 1.84 -0.07 0.23 0.00 0.00 176.35 179.19 1sql h LEU 72 N 3.10 0.86 -0.83 1.79 3.38 -1.96 -2.38 115.31 119.27 1sql h LEU 72 Ca -0.47 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.51 1sql h LEU 72 Cb 1.19 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 1sql h LEU 72 CO 0.53 0.79 0.43 -0.33 0.09 0.00 0.00 178.44 179.94 1sql h GLU 73 N 0.91 0.61 -0.45 1.13 3.07 -1.95 -0.06 114.58 117.85 1sql h GLU 73 Ca 0.21 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 1sql h GLU 73 Cb 0.21 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1sql h GLU 73 CO -0.01 0.40 0.03 1.15 -1.40 0.00 0.00 179.01 179.18 1sql h THR 74 N 0.63 1.26 -0.37 1.13 2.02 -1.85 0.09 112.91 115.81 1sql h THR 74 Ca 0.45 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1sql h THR 74 Cb 0.61 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1sql h THR 74 CO -0.35 0.34 0.05 0.58 0.37 0.00 0.00 175.52 176.52 1sql h VAL 75 N 0.63 1.24 -0.20 3.16 2.07 -1.19 -1.45 116.25 120.50 1sql h VAL 75 Ca 0.13 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1sql h VAL 75 Cb 0.45 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1sql h VAL 75 CO 0.02 0.29 -0.19 0.00 0.02 0.00 0.00 177.57 177.71 1sql h ALA 76 N 0.90 1.31 -0.38 1.67 0.00 -0.95 -0.54 119.26 121.26 1sql h ALA 76 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sql h ALA 76 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sql h ALA 76 CO 0.01 0.46 0.06 1.49 0.00 0.00 0.00 179.25 181.28 1sql h GLU 77 N 0.32 0.63 -0.40 0.00 4.57 -0.70 -1.62 114.58 117.38 1sql h GLU 77 Ca 0.06 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1sql h GLU 77 Cb 0.52 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1sql h GLU 77 CO 0.03 0.68 0.02 -0.07 -1.18 0.00 0.00 179.01 178.50 1sql h LEU 78 N 0.47 0.68 -0.35 1.64 4.07 -0.89 0.13 115.31 121.06 1sql h LEU 78 Ca 0.12 -0.29 0.06 0.00 0.08 0.00 0.00 57.88 57.84 1sql h LEU 78 Cb 0.36 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.86 1sql h LEU 78 CO 0.01 0.81 0.01 0.40 -1.08 0.00 0.00 178.44 178.58 1sql h ILE 79 N 0.53 0.75 0.18 1.22 2.04 -0.96 0.37 117.51 121.63 1sql h ILE 79 Ca 0.12 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1sql h ILE 79 Cb 0.45 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1sql h ILE 79 CO 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 178.15 178.10 1sql h ALA 80 N 1.30 -0.24 -0.83 1.87 0.00 -1.13 -1.73 119.26 118.51 1sql h ALA 80 Ca 0.17 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1sql h ALA 80 Cb 0.23 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1sql h ALA 80 CO -0.28 -0.48 0.50 1.03 0.00 0.00 0.00 179.25 180.02 1sql h SER 81 N -0.54 0.77 0.28 0.00 0.87 -0.50 -0.97 113.55 113.46 1sql h SER 81 Ca -0.02 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1sql h SER 81 Cb 0.41 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1sql h SER 81 CO 0.04 0.49 -0.73 0.11 -0.53 0.00 0.00 176.83 176.21 1sql h LYS 82 N 0.90 0.38 -0.42 2.24 1.79 -0.28 -2.36 116.57 118.83 1sql h LYS 82 Ca 0.37 -0.32 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1sql h LYS 82 Cb 0.20 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1sql h LYS 82 CO -0.18 0.96 -0.07 1.15 -1.08 0.00 0.00 179.45 180.22 1sql h THR 83 N 0.26 1.27 -0.41 -0.16 2.02 -0.86 0.06 112.91 115.09 1sql h THR 83 Ca -0.03 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 65.92 1sql h THR 83 Cb 1.30 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1sql h THR 83 CO 0.12 0.39 -0.06 -0.07 0.37 0.00 0.00 175.52 176.28 1sql h LEU 84 N 0.62 0.67 -0.32 2.58 3.38 -1.20 -1.40 115.31 119.64 1sql h LEU 84 Ca 0.11 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 1sql h LEU 84 Cb 0.59 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1sql h LEU 84 CO 0.04 0.78 -0.80 -0.08 0.09 0.00 0.00 178.44 178.47 1sql h GLU 85 N 0.65 0.41 0.00 1.13 4.81 -1.20 -3.32 114.58 117.05 1sql h GLU 85 Ca 0.12 -0.36 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 1sql h GLU 85 Cb 0.49 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1sql h GLU 85 CO 0.03 1.02 -1.07 0.87 -0.73 0.00 0.00 179.01 179.12 1sql h LYS 86 N 0.26 0.00 -4.13 1.92 1.79 -0.87 -3.42 116.57 112.13 1sql h LYS 86 Ca -0.05 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.77 1sql h LYS 86 Cb 1.40 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.64 1sql h LYS 86 CO 0.14 0.51 -0.69 -0.06 -1.08 0.00 0.00 179.45 178.27 1sql s PHE 87 N -2.86 3.46 0.55 -1.35 0.08 -0.54 -4.97 117.98 112.36 1sql s PHE 87 Ca -0.00 -3.03 0.39 0.00 0.12 0.00 0.00 56.93 54.41 1sql s PHE 87 Cb 0.08 -2.84 2.09 0.00 -0.57 0.00 0.00 43.02 41.79 1sql s PHE 87 CO 0.79 -0.86 2.27 1.12 -0.10 0.00 0.00 175.22 178.44 1sql h HIS 88 N 7.17 0.00 0.00 0.36 2.07 -1.82 -2.45 115.15 120.47 1sql h HIS 88 Ca -0.06 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.36 1sql h HIS 88 Cb 0.97 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.93 1sql h HIS 88 CO 0.48 0.01 -0.51 1.96 -3.07 0.00 0.00 177.93 176.81 1sql h GLN 89 N 0.00 0.00 -6.55 5.12 4.20 -1.93 -3.43 115.11 112.52 1sql h GLN 89 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1sql h GLN 89 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 1sql h GLN 89 CO 0.00 0.51 0.74 0.42 -0.67 0.00 0.00 178.83 179.83 1sql s ILE 90 N -3.69 3.26 -0.12 2.54 -1.09 -0.93 -4.69 121.20 116.48 1sql s ILE 90 Ca -0.01 0.90 0.19 0.00 -2.23 0.00 0.00 60.65 59.50 1sql s ILE 90 Cb 0.12 -3.58 -0.24 0.00 -1.58 0.00 0.00 42.46 37.19 1sql s ILE 90 CO 0.73 0.07 0.46 0.59 -1.23 0.00 0.00 174.94 175.56 1sql n ASN 91 N 3.96 0.29 -3.50 3.58 5.03 0.12 -4.83 115.26 119.91 1sql n ASN 91 Ca 0.12 0.13 -0.16 0.00 0.87 0.00 0.00 54.58 55.54 1sql n ASN 91 Cb 0.42 1.04 -0.05 0.00 -1.02 0.00 0.00 39.78 40.18 1sql n ASN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sql s ALA 92 N -2.98 -1.74 -0.01 5.41 0.00 -1.24 0.25 121.76 121.45 1sql s ALA 92 Ca -0.07 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1sql s ALA 92 Cb 0.09 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1sql s ALA 92 CO 0.85 -0.48 -0.01 0.08 0.00 0.00 0.00 175.76 176.19 1sql s VAL 93 N -1.93 0.16 -0.17 0.00 1.01 0.11 -0.74 120.40 118.84 1sql s VAL 93 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1sql s VAL 93 Cb -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 1sql s VAL 93 CO 0.03 0.08 -0.13 -0.60 0.00 0.00 0.00 175.10 174.48 1sql s ARG 94 N 0.34 3.24 -0.12 2.72 3.52 -0.67 0.15 118.95 128.13 1sql s ARG 94 Ca -0.03 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1sql s ARG 94 Cb -0.05 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1sql s ARG 94 CO -0.01 -0.04 -0.22 0.08 -0.81 0.00 0.00 175.30 174.30 1sql s VAL 95 N 0.99 2.13 -0.21 7.11 1.01 -0.08 -1.82 120.40 129.52 1sql s VAL 95 Ca -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1sql s VAL 95 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1sql s VAL 95 CO -0.02 0.55 -0.13 -0.54 0.00 0.00 0.00 175.10 174.96 1sql s LYS 96 N 0.59 2.99 -0.12 2.72 1.02 -0.24 -1.37 119.74 125.33 1sql s LYS 96 Ca -0.12 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.03 1sql s LYS 96 Cb -0.17 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1sql s LYS 96 CO 0.03 -0.28 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.85 1sql s LEU 97 N 1.33 1.79 0.11 3.17 0.20 -0.90 -0.57 118.68 123.81 1sql s LEU 97 Ca 0.03 -0.46 -0.02 0.00 0.69 0.00 0.00 54.13 54.37 1sql s LEU 97 Cb -0.15 -1.15 -0.03 0.00 -0.43 0.00 0.00 46.19 44.43 1sql s LEU 97 CO -0.08 0.02 0.07 -0.44 -0.29 0.00 0.00 176.35 175.63 1sql s SER 98 N 0.97 0.31 -0.31 3.68 0.01 -0.03 -0.60 113.70 117.74 1sql s SER 98 Ca -0.06 -1.09 -0.03 0.00 1.31 0.00 0.00 55.95 56.08 1sql s SER 98 Cb -0.15 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.42 1sql s SER 98 CO -0.02 -0.72 0.03 -0.54 0.41 0.00 0.00 173.24 172.40 1sql s LYS 99 N -4.00 2.44 0.34 12.44 1.02 0.72 -1.10 119.74 131.60 1sql s LYS 99 Ca 0.18 -1.28 0.26 0.00 0.02 0.00 0.00 55.97 55.16 1sql s LYS 99 Cb 0.07 -3.25 0.88 0.00 -0.52 0.00 0.00 37.83 35.01 1sql s LYS 99 CO -0.02 -0.65 1.77 -1.00 -0.92 0.00 0.00 175.35 174.53 1sql h PRO 100 N 8.04 0.00 -3.62 -1.68 0.13 -1.80 -2.78 132.00 130.29 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 -0.40 0.00 0.13 0.00 0.00 31.00 31.79 1sql h PRO 100 CO 0.55 0.00 -0.71 -0.80 -0.23 0.00 0.00 178.00 176.82 1sql s ASN 101 N -5.04 4.19 -0.22 1.44 0.01 -1.26 -4.65 114.94 109.40 1sql s ASN 101 Ca 0.06 -2.44 -0.20 0.00 -0.71 0.00 0.00 52.86 49.57 1sql s ASN 101 Cb 0.09 -1.32 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 1sql s ASN 101 CO 0.54 -0.31 0.58 -0.69 -1.51 0.00 0.00 177.10 175.71 1sql s VAL 102 N 0.53 5.04 0.25 1.60 1.01 -1.26 -4.96 120.40 122.62 1sql s VAL 102 Ca 0.14 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1sql s VAL 102 Cb -0.22 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 1sql s VAL 102 CO -0.06 0.10 1.42 0.00 0.00 0.00 0.00 175.10 176.56 1sql n ALA 103 N 5.24 1.27 -0.75 5.51 0.00 -1.26 -2.42 120.51 128.10 1sql n ALA 103 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1sql n ALA 103 Cb 0.50 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 2.08 0.21 -4.59 0.00 4.77 -1.26 -4.99 117.00 113.22 1sql n LEU 104 Ca 0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 1sql n LEU 104 Cb 0.32 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1sql n LEU 104 CO 0.63 -0.10 0.16 -0.63 -1.33 0.00 0.00 177.39 176.11 1sql s ILE 105 N -3.15 5.09 -0.27 -0.08 1.09 -1.01 -4.95 121.20 117.91 1sql s ILE 105 Ca 0.00 0.51 0.10 0.00 -1.10 0.00 0.00 60.65 60.17 1sql s ILE 105 Cb 0.00 -3.83 0.52 0.00 -1.06 0.00 0.00 42.46 38.09 1sql s ILE 105 CO 0.00 -0.02 1.48 2.29 -0.10 0.00 0.00 174.94 178.59 1sql n LYS 106 N 5.53 2.10 0.00 2.79 0.00 -1.26 -4.68 118.16 122.65 1sql n LYS 106 Ca -0.06 -3.09 0.08 0.00 -0.00 0.00 0.00 58.31 55.24 1sql n LYS 106 Cb 0.50 -1.84 -0.07 0.00 -0.00 0.00 0.00 35.03 33.61 1sql n LYS 106 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sql n SER 107 N -0.99 1.04 -0.79 -5.58 7.64 -1.26 -5.09 113.62 108.59 1sql n SER 107 Ca 0.32 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1sql n SER 107 Cb 1.04 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 1sql n SER 107 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1sql n THR 108 N -1.07 -3.55 -4.22 0.44 -1.04 -1.26 -5.12 114.28 98.46 1sql n THR 108 Ca 0.04 0.46 -0.17 0.00 -2.04 0.00 0.00 64.05 62.33 1sql n THR 108 Cb 0.29 -2.63 -0.07 0.00 -1.82 0.00 0.00 70.33 66.11 1sql n THR 108 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sql s ILE 109 N -0.07 0.00 -0.20 12.58 -4.36 -1.26 -5.07 121.20 122.82 1sql s ILE 109 Ca 0.00 -1.87 -0.20 0.00 -0.26 0.00 0.00 60.65 58.32 1sql s ILE 109 Cb 0.00 -2.54 -0.17 0.00 1.25 0.00 0.00 42.46 41.00 1sql s ILE 109 CO 0.00 0.00 0.13 0.47 0.24 0.00 0.00 174.94 175.78 1sql n ASP 110 N -1.42 1.86 -3.62 4.36 8.00 -1.26 -5.06 116.55 119.41 1sql n ASP 110 Ca 0.05 0.45 -0.01 0.00 0.71 0.00 0.00 54.79 55.99 1sql n ASP 110 Cb 0.62 -0.95 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 1sql n ASP 110 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1sql s TYR 111 N -2.36 -0.03 0.02 1.24 -0.85 -1.26 -4.53 117.35 109.59 1sql s TYR 111 Ca -0.27 0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.36 1sql s TYR 111 Cb 0.06 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.88 1sql s TYR 111 CO 0.53 -0.07 -0.21 -0.51 -1.52 0.00 0.00 175.55 173.77 1sql s LEU 112 N -2.33 2.12 0.00 -3.49 1.02 -1.05 -4.95 118.68 110.01 1sql s LEU 112 Ca 0.12 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.79 1sql s LEU 112 Cb 0.01 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 45.18 1sql s LEU 112 CO -0.04 0.20 0.00 0.61 0.02 0.00 0.00 176.35 177.15 1sql n GLY 113 N 2.09 0.79 3.58 -3.19 0.00 -1.26 -0.20 105.19 107.00 1sql n GLY 113 Ca -0.16 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.18 2.13 -0.27 1.61 -7.23 0.23 -4.98 120.40 109.72 1sql s VAL 114 Ca 0.00 -2.11 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1sql s VAL 114 Cb 0.00 -2.82 0.15 0.00 0.56 0.00 0.00 36.38 34.27 1sql s VAL 114 CO 0.00 -0.11 0.41 -0.62 -0.31 0.00 0.00 175.10 174.47 1sql s ASP 115 N -3.66 0.24 0.24 4.85 3.68 -1.26 -2.11 116.67 118.65 1sql s ASP 115 Ca 0.34 -0.07 0.11 0.00 2.13 0.00 0.00 52.55 55.07 1sql s ASP 115 Cb 0.06 1.16 -0.05 0.00 -1.45 0.00 0.00 42.92 42.64 1sql s ASP 115 CO 0.17 -0.33 -0.21 0.27 0.13 0.00 0.00 175.17 175.20 1sql s ILE 116 N 2.56 2.37 -0.11 4.11 -4.36 -0.47 -4.99 121.20 120.31 1sql s ILE 116 Ca 0.11 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1sql s ILE 116 Cb -0.14 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.39 1sql s ILE 116 CO -0.24 -0.30 -0.11 0.12 0.24 0.00 0.00 174.94 174.65 1sql s PHE 117 N -2.21 1.69 -0.13 1.37 5.36 -1.26 -0.91 117.98 121.90 1sql s PHE 117 Ca 0.26 -0.81 0.01 0.00 -0.96 0.00 0.00 56.93 55.43 1sql s PHE 117 Cb -0.06 -1.29 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1sql s PHE 117 CO 0.12 -0.47 -0.13 1.03 -1.46 0.00 0.00 175.22 174.31 1sql s ARG 118 N 1.26 2.15 0.12 10.12 1.81 0.12 -4.98 118.95 129.55 1sql s ARG 118 Ca -0.02 -0.51 0.02 0.00 -1.72 0.00 0.00 55.73 53.50 1sql s ARG 118 Cb -0.14 -1.95 -0.04 0.00 -0.45 0.00 0.00 34.95 32.37 1sql s ARG 118 CO -0.04 -0.18 0.23 -1.14 -0.68 0.00 0.00 175.30 173.48 1sql s GLN 119 N 1.35 3.33 0.00 3.54 0.74 -1.26 0.09 119.66 127.46 1sql s GLN 119 Ca 0.01 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1sql s GLN 119 Cb -0.13 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.04 1sql s GLN 119 CO -0.07 0.55 0.39 -2.13 -0.55 0.00 0.00 175.29 173.47