#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 4.47 -0.14 1.61 1.01 -1.26 -4.96 116.67 117.40 1sql s ASP 2 Ca 0.00 1.34 -0.29 0.00 0.71 0.00 0.00 52.55 54.31 1sql s ASP 2 Cb 0.00 -2.08 0.09 0.00 1.01 0.00 0.00 42.92 41.94 1sql s ASP 2 CO 0.00 -1.99 0.82 -1.59 0.21 0.00 0.00 175.17 172.62 1sql s LYS 3 N -5.13 0.83 -0.09 8.23 -2.85 -1.25 -2.31 119.74 117.17 1sql s LYS 3 Ca 0.61 0.36 -0.17 0.00 -1.00 0.00 0.00 55.97 55.77 1sql s LYS 3 Cb -0.15 0.40 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 1sql s LYS 3 CO 0.54 -0.23 0.43 -0.51 0.10 0.00 0.00 175.35 175.69 1sql s LEU 4 N -0.81 4.33 -0.15 2.77 1.02 -0.00 -4.91 118.68 120.93 1sql s LEU 4 Ca -0.05 0.81 0.00 0.00 0.02 0.00 0.00 54.13 54.91 1sql s LEU 4 Cb -0.01 -2.62 -0.00 0.00 0.02 0.00 0.00 46.19 43.57 1sql s LEU 4 CO 0.05 0.10 -0.15 -0.63 0.02 0.00 0.00 176.35 175.74 1sql s ILE 5 N 0.13 2.73 -0.26 -0.59 -1.09 -1.26 -0.88 121.20 119.97 1sql s ILE 5 Ca 0.24 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1sql s ILE 5 Cb -0.15 -2.15 0.06 0.00 -1.58 0.00 0.00 42.46 38.64 1sql s ILE 5 CO 0.10 0.51 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.49 1sql s LEU 6 N 0.77 3.35 -0.10 2.97 1.02 0.05 -5.01 118.68 121.74 1sql s LEU 6 Ca -0.06 -1.43 0.01 0.00 0.02 0.00 0.00 54.13 52.68 1sql s LEU 6 Cb -0.15 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.58 1sql s LEU 6 CO 0.01 -0.22 -0.14 -0.75 0.02 0.00 0.00 176.35 175.26 1sql s LYS 7 N 1.16 3.02 -1.18 1.70 2.47 -1.26 -0.26 119.74 125.38 1sql s LYS 7 Ca -0.06 -0.69 -0.07 0.00 -1.56 0.00 0.00 55.97 53.59 1sql s LYS 7 Cb -0.20 -2.52 0.01 0.00 -1.46 0.00 0.00 37.83 33.66 1sql s LYS 7 CO -0.06 0.38 0.93 0.41 0.16 0.00 0.00 175.35 177.18 1sql n GLY 8 N 3.02 -0.32 3.67 5.54 0.00 -1.16 -4.96 105.19 110.97 1sql n GLY 8 Ca -0.18 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -6.26 4.25 -0.18 0.99 1.43 -0.28 -4.80 118.68 113.83 1sql s LEU 9 Ca 0.46 1.86 -0.05 0.00 -1.03 0.00 0.00 54.13 55.38 1sql s LEU 9 Cb -0.20 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1sql s LEU 9 CO 0.57 -0.73 -0.00 -0.54 0.23 0.00 0.00 176.35 175.88 1sql s LYS 10 N 3.04 3.71 -0.01 1.70 1.02 -1.26 0.25 119.74 128.20 1sql s LYS 10 Ca 0.59 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.10 1sql s LYS 10 Cb -0.26 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1sql s LYS 10 CO 0.20 0.16 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.72 1sql s PHE 11 N 0.60 0.22 0.14 3.18 0.08 -0.49 -4.97 117.98 116.74 1sql s PHE 11 Ca -0.01 -0.02 -0.28 0.00 0.12 0.00 0.00 56.93 56.74 1sql s PHE 11 Cb -0.14 -0.19 -0.07 0.00 -0.57 0.00 0.00 43.02 42.05 1sql s PHE 11 CO 0.02 -0.03 0.89 -0.47 -0.10 0.00 0.00 175.22 175.53 1sql s TYR 12 N 0.20 3.86 0.32 0.36 6.14 -1.26 -0.84 117.35 126.12 1sql s TYR 12 Ca -0.02 1.74 -0.06 0.00 0.64 0.00 0.00 57.07 59.37 1sql s TYR 12 Cb -0.04 -2.94 0.00 0.00 0.42 0.00 0.00 41.96 39.40 1sql s TYR 12 CO -0.01 0.33 0.49 0.20 0.64 0.00 0.00 175.55 177.21 1sql s GLY 13 N -0.50 1.18 -0.15 8.97 0.00 0.15 -4.45 107.32 112.52 1sql s GLY 13 Ca 0.42 -1.32 0.17 0.00 0.00 0.00 0.00 44.72 43.99 1sql s GLY 13 CO 0.28 -0.87 1.20 0.69 0.00 0.00 0.00 173.10 174.40 1sql n PHE 14 N -0.51 0.11 -2.55 1.90 3.01 -1.26 0.47 117.46 118.62 1sql n PHE 14 Ca -0.00 -1.10 -0.36 0.00 1.01 0.00 0.00 57.45 56.99 1sql n PHE 14 Cb 0.62 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 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 -2.95 3.24 0.00 1.38 3.76 -1.26 -3.86 115.29 115.60 1sql s HIS 15 Ca 0.34 1.64 0.00 0.00 -0.15 0.00 0.00 55.06 56.89 1sql s HIS 15 Cb 0.31 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.88 1sql s HIS 15 CO 0.02 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 1sql n GLY 16 N 0.26 3.39 0.12 -2.22 0.00 -0.08 -4.74 105.19 101.92 1sql n GLY 16 Ca 0.05 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 1sql n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sql h ALA 17 N 0.00 0.05 -2.90 4.61 0.00 -1.78 -3.38 119.26 115.85 1sql h ALA 17 Ca 0.00 -0.52 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 1sql h ALA 17 Cb 0.00 0.02 0.11 0.00 0.00 0.00 0.00 17.79 17.92 1sql h ALA 17 CO 0.00 0.22 0.58 0.42 0.00 0.00 0.00 179.25 180.47 1sql s ILE 18 N -3.15 2.45 0.06 0.00 1.01 -1.26 -4.95 121.20 115.37 1sql s ILE 18 Ca -0.14 0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 1sql s ILE 18 Cb 0.02 -3.18 -0.13 0.00 0.01 0.00 0.00 42.46 39.18 1sql s ILE 18 CO 0.78 0.01 1.56 0.00 0.00 0.00 0.00 174.94 177.29 1sql h ALA 19 N 1.84 0.15 0.00 9.38 0.00 -2.01 -2.93 119.26 125.70 1sql h ALA 19 Ca -0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1sql h ALA 19 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sql h ALA 19 CO 0.59 -0.22 -0.08 1.05 0.00 0.00 0.00 179.25 180.59 1sql h GLU 20 N -0.01 0.00 -0.47 0.00 9.09 -1.98 -2.20 114.58 119.01 1sql h GLU 20 Ca 0.04 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.35 1sql h GLU 20 Cb 0.24 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 1sql h GLU 20 CO -0.00 0.08 -0.06 0.93 0.05 0.00 0.00 179.01 180.00 1sql h GLU 21 N 0.00 0.88 0.00 1.06 5.08 -1.89 -0.64 114.58 119.07 1sql h GLU 21 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1sql h GLU 21 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1sql h GLU 21 CO 0.01 0.95 0.00 0.00 -1.00 0.00 0.00 179.01 178.97 1sql h ARG 22 N 0.73 0.00 0.00 2.33 3.08 -1.35 -0.25 114.38 118.91 1sql h ARG 22 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1sql h ARG 22 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1sql h ARG 22 CO 0.04 0.00 -0.31 1.15 -1.07 0.00 0.00 179.97 179.78 1sql h THR 23 N 0.00 0.00 -0.17 2.04 2.02 -1.26 -3.42 112.91 112.12 1sql h THR 23 Ca 0.00 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1sql h THR 23 Cb 0.37 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1sql h THR 23 CO 0.00 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.12 1sql h LEU 24 N -0.84 0.32 0.00 2.58 5.85 -1.15 -3.50 115.31 118.57 1sql h LEU 24 Ca 0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1sql h LEU 24 Cb 0.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1sql h LEU 24 CO 0.00 0.59 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 1sql n GLY 25 N -0.20 -3.19 3.77 3.75 0.00 -0.11 -4.99 105.19 104.23 1sql n GLY 25 Ca -0.05 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.00 0.46 0.12 1.61 -2.07 0.17 -4.96 119.66 114.01 1sql s GLN 26 Ca 0.00 -0.28 -0.24 0.00 -1.82 0.00 0.00 55.36 53.02 1sql s GLN 26 Cb 0.00 0.14 -0.07 0.00 -1.09 0.00 0.00 33.01 31.99 1sql s GLN 26 CO 0.00 -0.21 0.73 -1.64 -1.32 0.00 0.00 175.29 172.84 1sql s MET 27 N -2.28 4.48 0.01 9.60 -1.94 -1.26 0.34 119.30 128.25 1sql s MET 27 Ca 0.20 1.05 0.07 0.00 -1.71 0.00 0.00 55.69 55.30 1sql s MET 27 Cb 0.02 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.57 1sql s MET 27 CO -0.02 0.54 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.25 1sql s PHE 28 N -0.96 1.97 -0.17 -0.03 0.40 -0.02 -4.33 117.98 114.84 1sql s PHE 28 Ca 0.35 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1sql s PHE 28 Cb -0.22 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1sql s PHE 28 CO 0.24 0.02 -0.00 -0.51 0.70 0.00 0.00 175.22 175.67 1sql s LEU 29 N -0.79 3.41 -0.04 -0.37 1.43 -0.34 -1.39 118.68 120.59 1sql s LEU 29 Ca 0.09 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1sql s LEU 29 Cb -0.09 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1sql s LEU 29 CO 0.00 0.15 -0.22 -0.69 0.23 0.00 0.00 176.35 175.82 1sql s VAL 30 N 0.46 1.80 -0.11 -1.59 1.01 0.14 -1.44 120.40 120.67 1sql s VAL 30 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1sql s VAL 30 Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1sql s VAL 30 CO 0.02 0.51 -0.20 -1.81 0.00 0.00 0.00 175.10 173.62 1sql s ASP 31 N -0.26 2.82 -0.08 3.32 1.01 -0.14 -1.13 116.67 122.21 1sql s ASP 31 Ca 0.01 -0.52 0.01 0.00 0.71 0.00 0.00 52.55 52.77 1sql s ASP 31 Cb -0.11 -1.29 0.02 0.00 1.01 0.00 0.00 42.92 42.55 1sql s ASP 31 CO 0.02 0.09 -0.10 -0.63 0.21 0.00 0.00 175.17 174.76 1sql s ILE 32 N 0.66 1.04 -0.26 0.77 -1.09 0.64 -1.17 121.20 121.79 1sql s ILE 32 Ca -0.12 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1sql s ILE 32 Cb -0.16 -1.00 0.04 0.00 -1.58 0.00 0.00 42.46 39.76 1sql s ILE 32 CO 0.03 0.35 -0.08 -1.81 -1.23 0.00 0.00 174.94 172.20 1sql s ASP 33 N 1.11 4.35 -0.34 3.58 1.11 -0.64 -0.77 116.67 125.07 1sql s ASP 33 Ca -0.06 -1.10 -0.11 0.00 0.18 0.00 0.00 52.55 51.46 1sql s ASP 33 Cb -0.14 -1.62 0.00 0.00 1.07 0.00 0.00 42.92 42.23 1sql s ASP 33 CO -0.01 -0.16 0.19 0.00 1.18 0.00 0.00 175.17 176.36 1sql s ALA 34 N 1.23 3.32 -0.15 5.23 0.00 -0.06 -1.29 121.76 130.05 1sql s ALA 34 Ca -0.03 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 1sql s ALA 34 Cb -0.18 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1sql s ALA 34 CO -0.05 -1.07 1.08 -1.58 0.00 0.00 0.00 175.76 174.14 1sql s TRP 35 N 1.62 3.32 -0.28 0.00 0.51 0.90 -0.82 118.94 124.18 1sql s TRP 35 Ca 0.04 1.42 -0.23 0.00 -2.12 0.00 0.00 56.10 55.21 1sql s TRP 35 Cb -0.18 -3.29 0.13 0.00 -0.81 0.00 0.00 33.47 29.32 1sql s TRP 35 CO 0.07 -0.68 1.06 0.54 -0.51 0.00 0.00 176.95 177.43 1sql s VAL 36 N 2.62 0.00 0.06 4.03 0.11 -0.98 -0.50 120.40 125.74 1sql s VAL 36 Ca 0.49 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.23 1sql s VAL 36 Cb -0.19 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.59 1sql s VAL 36 CO 0.14 0.00 1.58 -0.55 -3.33 0.00 0.00 175.10 172.94 1sql s SER 37 N 0.45 6.67 0.00 3.54 0.15 -1.26 -3.95 113.70 119.30 1sql s SER 37 Ca 0.01 2.39 0.17 0.00 0.70 0.00 0.00 55.95 59.22 1sql s SER 37 Cb -0.05 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.80 1sql s SER 37 CO -0.09 -0.84 0.99 0.18 1.20 0.00 0.00 173.24 174.68 1sql n LEU 38 N 5.42 2.21 -0.15 3.45 4.77 -1.26 -4.61 117.00 126.81 1sql n LEU 38 Ca 0.15 -0.94 -0.03 0.00 -0.03 0.00 0.00 56.01 55.16 1sql n LEU 38 Cb 0.41 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1sql n LEU 38 CO 0.61 0.40 0.94 0.50 -1.33 0.00 0.00 177.39 178.52 1sql h LYS 39 N 2.92 0.30 0.24 3.23 3.64 -1.96 0.39 116.57 125.34 1sql h LYS 39 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sql h LYS 39 Cb 0.66 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1sql h LYS 39 CO 0.00 0.20 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.65 1sql h LYS 40 N 0.31 -0.79 -0.84 1.90 3.64 -1.90 -1.15 116.57 117.74 1sql h LYS 40 Ca 0.23 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 1sql h LYS 40 Cb 0.27 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1sql h LYS 40 CO -0.26 -0.53 0.54 0.00 -2.27 0.00 0.00 179.45 176.93 1sql h ALA 41 N -0.59 1.13 0.00 5.00 0.00 -1.65 -1.11 119.26 122.03 1sql h ALA 41 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sql h ALA 41 Cb 0.79 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sql h ALA 41 CO -0.21 0.34 0.00 0.78 0.00 0.00 0.00 179.25 180.16 1sql h GLY 42 N 1.02 0.00 -0.76 0.00 0.00 -0.51 0.40 103.07 103.22 1sql h GLY 42 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1sql h GLY 42 CO -0.13 0.00 -0.27 1.18 0.00 0.00 0.00 176.54 177.32 1sql n GLU 43 N -2.69 1.67 -0.01 4.80 1.02 -0.47 -4.52 120.64 120.44 1sql n GLU 43 Ca -0.00 -0.86 0.01 0.00 -0.02 0.00 0.00 57.16 56.28 1sql n GLU 43 Cb 0.19 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.01 4.17 -2.58 1.62 3.41 -0.53 -5.01 113.62 114.69 1sql n SER 44 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.50 1sql n SER 44 Cb 0.33 0.95 -0.00 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.81 -5.00 -4.43 4.04 2.03 0.13 -4.96 116.55 106.55 1sql n ASP 45 Ca -0.02 -0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.94 1sql n ASP 45 Cb 0.29 -4.17 -0.13 0.00 -0.72 0.00 0.00 41.12 36.39 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 -2.19 4.65 0.42 1.67 3.84 -1.26 -5.00 114.94 117.08 1sql s ASN 46 Ca 0.07 -0.22 0.10 0.00 0.21 0.00 0.00 52.86 53.02 1sql s ASN 46 Cb -0.04 -1.77 0.93 0.00 -0.55 0.00 0.00 41.25 39.82 1sql s ASN 46 CO 0.09 0.10 2.04 0.25 -2.79 0.00 0.00 177.10 176.79 1sql h LEU 47 N 7.24 0.42 -0.78 3.21 7.12 -1.93 -1.88 115.31 128.71 1sql h LEU 47 Ca -0.34 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.67 1sql h LEU 47 Cb 1.18 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1sql h LEU 47 CO 0.61 0.29 0.00 -0.62 -0.13 0.00 0.00 178.44 178.59 1sql n GLU 48 N -4.48 0.12 -0.16 1.25 1.02 -1.26 -1.75 120.64 115.38 1sql n GLU 48 Ca 0.05 0.50 0.08 0.00 -0.02 0.00 0.00 57.16 57.77 1sql n GLU 48 Cb 0.16 -1.80 0.24 0.00 -0.02 0.00 0.00 31.44 30.03 1sql n GLU 48 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sql n ASP 49 N -2.03 2.02 -2.60 1.62 10.43 -0.70 -4.91 116.55 120.38 1sql n ASP 49 Ca 0.01 -1.90 -0.12 0.00 2.57 0.00 0.00 54.79 55.34 1sql n ASP 49 Cb 0.11 -0.21 -0.03 0.00 1.84 0.00 0.00 41.12 42.82 1sql n ASP 49 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 1sql n THR 50 N 0.58 0.00 -4.05 -3.53 5.66 -0.72 -4.08 114.28 108.14 1sql n THR 50 Ca 0.14 -1.53 -0.35 0.00 -3.05 0.00 0.00 64.05 59.27 1sql n THR 50 Cb 0.34 0.88 -0.09 0.00 -1.55 0.00 0.00 70.33 69.91 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 -2.82 4.76 0.10 1.09 1.09 -1.26 -4.99 121.20 119.17 1sql s ILE 51 Ca 0.25 -0.05 -0.31 0.00 -1.10 0.00 0.00 60.65 59.44 1sql s ILE 51 Cb -0.00 -3.12 -0.07 0.00 -1.06 0.00 0.00 42.46 38.21 1sql s ILE 51 CO 0.18 0.50 1.24 -0.55 -0.10 0.00 0.00 174.94 176.20 1sql s SER 52 N 0.07 7.03 0.36 3.58 0.15 -1.26 -4.89 113.70 118.73 1sql s SER 52 Ca 0.05 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.10 1sql s SER 52 Cb -0.12 -2.59 1.14 0.00 -1.71 0.00 0.00 66.02 62.74 1sql s SER 52 CO 0.01 -0.48 1.81 0.10 1.20 0.00 0.00 173.24 175.87 1sql h TYR 53 N 6.42 0.00 -0.25 3.44 -0.00 -1.99 -2.26 116.97 122.33 1sql h TYR 53 Ca -0.42 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.26 1sql h TYR 53 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 1sql h TYR 53 CO 0.65 0.00 -0.04 0.28 -0.00 0.00 0.00 178.16 179.06 1sql h VAL 54 N 0.00 1.27 -0.65 -0.90 2.07 -1.98 0.27 116.25 116.34 1sql h VAL 54 Ca 0.00 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1sql h VAL 54 Cb 0.38 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1sql h VAL 54 CO 0.00 0.31 0.17 0.44 0.02 0.00 0.00 177.57 178.51 1sql h ASP 55 N 0.21 0.95 -0.41 0.57 3.45 -1.81 0.48 116.42 119.87 1sql h ASP 55 Ca 0.07 -0.19 -0.16 0.00 0.43 0.00 0.00 57.03 57.18 1sql h ASP 55 Cb 0.48 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 1sql h ASP 55 CO 0.02 0.91 -0.35 0.40 -1.57 0.00 0.00 179.24 178.65 1sql h ILE 56 N 0.97 1.27 0.31 0.35 2.04 -1.37 -2.04 117.51 119.03 1sql h ILE 56 Ca 0.21 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1sql h ILE 56 Cb 0.33 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1sql h ILE 56 CO -0.00 0.51 -0.21 0.15 0.00 0.00 0.00 178.15 178.61 1sql h PHE 57 N 0.79 -0.54 -0.91 1.37 3.57 0.24 -1.91 116.94 119.56 1sql h PHE 57 Ca 0.07 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1sql h PHE 57 Cb 0.95 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1sql h PHE 57 CO 0.06 -0.32 0.60 0.66 -2.23 0.00 0.00 178.31 177.08 1sql h SER 58 N -0.50 1.00 -0.10 0.41 4.64 -0.89 -0.18 113.55 117.93 1sql h SER 58 Ca -0.03 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1sql h SER 58 Cb 0.42 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1sql h SER 58 CO 0.02 0.70 0.06 0.25 -0.87 0.00 0.00 176.83 176.99 1sql h LEU 59 N 1.17 0.12 -0.68 5.97 6.46 -1.19 -1.10 115.31 126.06 1sql h LEU 59 Ca 0.35 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1sql h LEU 59 Cb -0.04 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 1sql h LEU 59 CO -0.10 0.16 0.41 0.00 -0.62 0.00 0.00 178.44 178.29 1sql h ALA 60 N 0.97 0.86 0.16 1.25 0.00 -0.84 -2.65 119.26 119.02 1sql h ALA 60 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sql h ALA 60 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1sql h ALA 60 CO -0.01 0.34 -0.15 -0.22 0.00 0.00 0.00 179.25 179.21 1sql h LYS 61 N 0.92 -0.32 -0.90 0.00 3.64 -0.84 -1.47 116.57 117.60 1sql h LYS 61 Ca 0.24 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.81 1sql h LYS 61 Cb -0.03 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.76 1sql h LYS 61 CO -0.05 -0.22 0.48 1.49 -2.27 0.00 0.00 179.45 178.89 1sql h GLU 62 N -0.34 0.62 0.54 1.90 4.81 -1.01 -0.37 114.58 120.73 1sql h GLU 62 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1sql h GLU 62 Cb 0.31 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1sql h GLU 62 CO -0.03 0.41 -0.26 0.82 -0.73 0.00 0.00 179.01 179.22 1sql h ILE 63 N 0.64 0.00 -1.00 2.32 1.08 -1.16 -2.17 117.51 117.22 1sql h ILE 63 Ca 0.50 -0.34 0.17 0.00 -0.39 0.00 0.00 64.86 64.81 1sql h ILE 63 Cb 0.76 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.41 1sql h ILE 63 CO -0.39 0.00 0.62 0.58 -0.69 0.00 0.00 178.15 178.27 1sql h VAL 64 N -1.07 0.76 -0.17 1.67 2.07 -1.03 0.46 116.25 118.94 1sql h VAL 64 Ca -0.07 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1sql h VAL 64 Cb 0.55 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1sql h VAL 64 CO 0.12 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 1sql n GLU 65 N -4.72 1.61 -0.03 1.57 1.02 -0.17 -4.51 120.64 115.41 1sql n GLU 65 Ca 0.22 -0.92 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 1sql n GLU 65 Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 1.03 -0.46 3.61 0.62 0.00 0.16 -4.93 105.19 105.23 1sql n GLY 66 Ca 0.14 -1.70 -0.49 0.00 0.00 0.00 0.00 46.02 43.97 1sql n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sql n SER 67 N -0.62 1.87 -4.74 1.61 2.88 -1.26 -4.72 113.62 108.64 1sql n SER 67 Ca 0.00 1.13 -0.41 0.00 -1.33 0.00 0.00 58.87 58.25 1sql n SER 67 Cb 0.00 -1.26 -0.02 0.00 -0.75 0.00 0.00 64.21 62.17 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1sql s PRO 68 N 0.11 4.27 0.34 -1.46 0.04 -1.26 -4.97 135.00 132.07 1sql s PRO 68 Ca 0.77 2.30 0.09 0.00 0.04 0.00 0.00 61.00 64.20 1sql s PRO 68 Cb -0.84 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1sql s PRO 68 CO 0.48 -0.42 0.07 1.03 0.04 0.00 0.00 177.00 178.20 1sql s ARG 69 N -0.37 2.21 -0.02 4.56 1.81 -1.26 -4.98 118.95 120.90 1sql s ARG 69 Ca 0.59 -1.66 -0.21 0.00 -1.72 0.00 0.00 55.73 52.74 1sql s ARG 69 Cb -0.42 -2.04 -0.29 0.00 -0.45 0.00 0.00 34.95 31.76 1sql s ARG 69 CO 0.43 0.13 0.98 -0.91 -0.68 0.00 0.00 175.30 175.25 1sql h ASN 70 N 1.70 0.51 -2.88 0.23 2.35 -1.95 -0.18 115.58 115.36 1sql h ASN 70 Ca -0.43 -0.88 -0.60 0.00 -0.55 0.00 0.00 56.30 53.83 1sql h ASN 70 Cb 1.25 -0.16 -0.11 0.00 0.05 0.00 0.00 38.32 39.35 1sql h ASN 70 CO 0.65 1.34 -0.65 -0.76 -1.65 0.00 0.00 177.43 176.37 1sql s LEU 71 N -8.04 3.37 0.29 1.61 1.43 -1.26 -2.59 118.68 113.49 1sql s LEU 71 Ca -0.13 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1sql s LEU 71 Cb 0.02 -2.02 0.44 0.00 0.03 0.00 0.00 46.19 44.65 1sql s LEU 71 CO 0.83 0.09 1.66 -0.07 0.23 0.00 0.00 176.35 179.10 1sql h LEU 72 N 2.71 0.02 -0.43 1.79 3.38 -1.95 -3.02 115.31 117.82 1sql h LEU 72 Ca -0.47 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1sql h LEU 72 Cb 1.20 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1sql h LEU 72 CO 0.59 0.57 0.17 -0.33 0.09 0.00 0.00 178.44 179.53 1sql h GLU 73 N 0.02 0.34 -0.75 1.13 3.07 -1.94 0.14 114.58 116.57 1sql h GLU 73 Ca -0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1sql h GLU 73 Cb 0.99 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 1sql h GLU 73 CO 0.07 0.22 0.36 1.15 -1.40 0.00 0.00 179.01 179.42 1sql h THR 74 N 0.35 1.24 -0.41 1.13 2.02 -1.95 0.16 112.91 115.44 1sql h THR 74 Ca 0.20 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 1sql h THR 74 Cb 0.17 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1sql h THR 74 CO -0.18 0.29 -0.26 0.58 0.37 0.00 0.00 175.52 176.32 1sql h VAL 75 N 1.06 1.28 -0.18 3.16 2.07 -1.42 -1.77 116.25 120.45 1sql h VAL 75 Ca 0.26 -1.41 -0.17 0.00 0.82 0.00 0.00 66.70 66.20 1sql h VAL 75 Cb 0.12 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1sql h VAL 75 CO -0.03 0.48 -0.59 0.00 0.02 0.00 0.00 177.57 177.45 1sql h ALA 76 N 0.81 0.65 -0.57 1.67 0.00 -0.72 -2.48 119.26 118.61 1sql h ALA 76 Ca 0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1sql h ALA 76 Cb 0.83 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1sql h ALA 76 CO 0.07 0.70 0.29 1.49 0.00 0.00 0.00 179.25 181.80 1sql h GLU 77 N 0.43 0.80 -0.37 0.00 4.57 -0.61 -1.72 114.58 117.68 1sql h GLU 77 Ca -0.00 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1sql h GLU 77 Cb 1.14 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1sql h GLU 77 CO 0.11 0.63 0.14 -0.07 -1.18 0.00 0.00 179.01 178.65 1sql h LEU 78 N 0.76 0.52 -0.43 1.64 3.38 -1.19 -0.89 115.31 119.10 1sql h LEU 78 Ca 0.20 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1sql h LEU 78 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1sql h LEU 78 CO -0.03 0.56 0.13 0.40 0.09 0.00 0.00 178.44 179.59 1sql h ILE 79 N 0.46 0.83 0.50 1.22 2.04 -1.25 0.16 117.51 121.47 1sql h ILE 79 Ca 0.12 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1sql h ILE 79 Cb 0.20 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1sql h ILE 79 CO -0.01 0.05 -0.24 0.00 0.00 0.00 0.00 178.15 177.96 1sql h ALA 80 N 1.30 -0.67 -0.30 1.87 0.00 -1.04 -0.63 119.26 119.78 1sql h ALA 80 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sql h ALA 80 Cb 0.22 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sql h ALA 80 CO -0.23 -0.81 0.20 0.66 0.00 0.00 0.00 179.25 179.07 1sql h SER 81 N -0.78 0.35 0.01 0.00 4.64 -1.05 -1.00 113.55 115.72 1sql h SER 81 Ca -0.07 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1sql h SER 81 Cb 0.56 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1sql h SER 81 CO 0.11 0.26 -0.16 0.11 -0.87 0.00 0.00 176.83 176.28 1sql h LYS 82 N 0.41 0.30 -0.18 4.77 1.57 -0.70 0.84 116.57 123.58 1sql h LYS 82 Ca 0.11 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1sql h LYS 82 Cb -0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1sql h LYS 82 CO -0.02 0.46 -0.28 1.15 -0.57 0.00 0.00 179.45 180.19 1sql h THR 83 N 0.28 1.34 -0.15 -0.16 2.02 -0.70 -1.55 112.91 113.99 1sql h THR 83 Ca 0.05 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.63 1sql h THR 83 Cb 0.46 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1sql h THR 83 CO 0.03 0.46 -0.32 -0.07 0.37 0.00 0.00 175.52 175.99 1sql h LEU 84 N 0.15 0.30 -0.44 2.58 3.38 -0.99 -1.80 115.31 118.49 1sql h LEU 84 Ca 0.01 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1sql h LEU 84 Cb 0.86 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1sql h LEU 84 CO 0.07 0.61 -0.25 -0.08 0.09 0.00 0.00 178.44 178.87 1sql h GLU 85 N 0.26 0.94 0.00 1.13 4.81 -0.69 -3.31 114.58 117.71 1sql h GLU 85 Ca 0.03 -0.43 -0.21 0.00 -0.13 0.00 0.00 59.36 58.63 1sql h GLU 85 Cb 0.69 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1sql h GLU 85 CO 0.05 1.09 -1.22 -0.22 -0.73 0.00 0.00 179.01 177.98 1sql h LYS 86 N 0.77 0.00 -3.36 1.92 3.64 -1.17 -3.42 116.57 114.96 1sql h LYS 86 Ca 0.09 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.83 1sql h LYS 86 Cb 0.83 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.24 1sql h LYS 86 CO 0.07 0.59 -0.63 -0.06 -2.27 0.00 0.00 179.45 177.15 1sql s PHE 87 N -2.77 3.17 0.54 1.91 0.08 -0.69 -4.94 117.98 115.27 1sql s PHE 87 Ca -0.01 -3.17 0.23 0.00 0.12 0.00 0.00 56.93 54.10 1sql s PHE 87 Cb 0.09 -2.79 1.41 0.00 -0.57 0.00 0.00 43.02 41.15 1sql s PHE 87 CO 0.81 -0.73 2.07 1.12 -0.10 0.00 0.00 175.22 178.39 1sql h HIS 88 N 6.46 0.00 -0.63 0.36 2.07 -1.82 -1.75 115.15 119.85 1sql h HIS 88 Ca -0.07 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.46 1sql h HIS 88 Cb 0.89 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.83 1sql h HIS 88 CO 0.53 0.00 0.41 1.96 -3.07 0.00 0.00 177.93 177.76 1sql h GLN 89 N 0.00 0.81 -6.76 5.12 4.20 -1.92 -3.42 115.11 113.14 1sql h GLN 89 Ca 0.13 -0.05 -0.52 0.00 0.06 0.00 0.00 58.65 58.27 1sql h GLN 89 Cb 0.55 -0.18 0.05 0.00 0.30 0.00 0.00 27.48 28.19 1sql h GLN 89 CO -0.00 0.54 0.70 0.42 -0.67 0.00 0.00 178.83 179.82 1sql s ILE 90 N -5.71 2.82 -0.13 2.54 1.01 -0.66 -4.80 121.20 116.26 1sql s ILE 90 Ca -0.10 0.71 0.17 0.00 0.00 0.00 0.00 60.65 61.44 1sql s ILE 90 Cb 0.18 -3.45 -0.24 0.00 0.01 0.00 0.00 42.46 38.96 1sql s ILE 90 CO 0.76 0.13 0.37 0.59 0.00 0.00 0.00 174.94 176.79 1sql n ASN 91 N 2.04 0.31 -3.57 3.58 3.02 0.35 -4.88 115.26 116.11 1sql n ASN 91 Ca 0.05 0.14 -0.11 0.00 -0.03 0.00 0.00 54.58 54.63 1sql n ASN 91 Cb 0.41 0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 40.32 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 -2.73 -1.91 0.01 5.41 0.00 -1.22 -1.61 121.76 119.71 1sql s ALA 92 Ca -0.07 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1sql s ALA 92 Cb 0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1sql s ALA 92 CO 0.84 -0.33 -0.11 0.08 0.00 0.00 0.00 175.76 176.24 1sql s VAL 93 N -1.18 0.88 -0.15 0.00 1.01 -0.34 -0.07 120.40 120.56 1sql s VAL 93 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1sql s VAL 93 Cb -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1sql s VAL 93 CO 0.02 0.10 -0.15 -0.60 0.00 0.00 0.00 175.10 174.47 1sql s ARG 94 N -0.66 3.23 -0.10 2.72 3.52 -0.41 -0.09 118.95 127.16 1sql s ARG 94 Ca 0.02 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1sql s ARG 94 Cb -0.06 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1sql s ARG 94 CO 0.00 0.04 -0.16 0.08 -0.81 0.00 0.00 175.30 174.45 1sql s VAL 95 N 0.77 1.54 -0.24 7.11 1.01 0.13 -1.62 120.40 129.10 1sql s VAL 95 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1sql s VAL 95 Cb -0.15 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1sql s VAL 95 CO 0.01 0.45 -0.11 -0.54 0.00 0.00 0.00 175.10 174.91 1sql s LYS 96 N 0.82 2.69 -0.17 2.72 1.02 -0.32 -0.83 119.74 125.68 1sql s LYS 96 Ca -0.10 -1.06 -0.00 0.00 0.02 0.00 0.00 55.97 54.83 1sql s LYS 96 Cb -0.16 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1sql s LYS 96 CO 0.01 -0.41 -0.14 -1.17 -0.92 0.00 0.00 175.35 172.72 1sql s LEU 97 N 1.25 2.48 0.05 3.17 0.20 -0.62 -0.96 118.68 124.25 1sql s LEU 97 Ca -0.01 -0.49 -0.01 0.00 0.69 0.00 0.00 54.13 54.31 1sql s LEU 97 Cb -0.17 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1sql s LEU 97 CO -0.07 0.05 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.57 1sql s SER 98 N 1.02 0.51 -0.28 3.68 0.01 -0.52 0.07 113.70 118.19 1sql s SER 98 Ca -0.01 -0.90 -0.03 0.00 1.31 0.00 0.00 55.95 56.32 1sql s SER 98 Cb -0.15 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1sql s SER 98 CO -0.03 -0.52 -0.01 -0.54 0.41 0.00 0.00 173.24 172.55 1sql s LYS 99 N -3.40 2.73 0.49 12.44 1.02 0.92 -1.20 119.74 132.74 1sql s LYS 99 Ca 0.03 -1.06 0.28 0.00 0.02 0.00 0.00 55.97 55.24 1sql s LYS 99 Cb 0.04 -3.15 0.94 0.00 -0.52 0.00 0.00 37.83 35.14 1sql s LYS 99 CO -0.08 -0.50 1.83 -1.35 -0.92 0.00 0.00 175.35 174.33 1sql h PRO 100 N 8.06 0.00 -3.28 -1.68 0.11 -1.78 -2.42 132.00 131.01 1sql h PRO 100 Ca -0.28 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.22 1sql h PRO 100 Cb 1.09 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.80 1sql h PRO 100 CO 0.57 0.05 -0.73 -0.80 -0.21 0.00 0.00 178.00 176.88 1sql s ASN 101 N -5.95 3.89 -0.27 -2.05 0.01 -1.26 -4.63 114.94 104.68 1sql s ASN 101 Ca 0.03 -2.44 -0.21 0.00 -0.71 0.00 0.00 52.86 49.54 1sql s ASN 101 Cb 0.08 -1.12 -0.01 0.00 0.41 0.00 0.00 41.25 40.61 1sql s ASN 101 CO 0.60 -0.30 0.65 -0.69 -1.51 0.00 0.00 177.10 175.85 1sql s VAL 102 N 0.57 4.95 0.25 1.60 1.01 -1.26 -4.97 120.40 122.56 1sql s VAL 102 Ca 0.15 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 1sql s VAL 102 Cb -0.23 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 1sql s VAL 102 CO -0.05 -0.04 1.43 0.00 0.00 0.00 0.00 175.10 176.44 1sql n ALA 103 N 5.80 1.31 -0.37 5.51 0.00 -1.26 -2.27 120.51 129.23 1sql n ALA 103 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1sql n ALA 103 Cb 0.49 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 0.00 -4.57 0.00 4.77 -1.26 -5.00 117.00 113.02 1sql n LEU 104 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 1sql n LEU 104 Cb 0.32 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1sql n LEU 104 CO 0.63 0.00 0.79 -0.63 -1.33 0.00 0.00 177.39 176.85 1sql s ILE 105 N -3.21 4.44 -1.65 -0.08 -1.09 -0.96 -4.89 121.20 113.75 1sql s ILE 105 Ca 0.00 0.84 0.29 0.00 -2.23 0.00 0.00 60.65 59.55 1sql s ILE 105 Cb 0.00 -4.46 0.49 0.00 -1.58 0.00 0.00 42.46 36.91 1sql s ILE 105 CO 0.00 -0.85 1.90 0.29 -1.23 0.00 0.00 174.94 175.05 1sql n LYS 106 N 7.25 0.68 -4.24 2.79 5.02 -1.26 -4.86 118.16 123.54 1sql n LYS 106 Ca 0.07 -0.20 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 1sql n LYS 106 Cb 0.49 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 1sql n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sql s SER 107 N -2.46 4.77 0.36 4.39 1.04 -1.26 -5.10 113.70 115.44 1sql s SER 107 Ca 0.30 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 1sql s SER 107 Cb 0.20 -0.98 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 1sql s SER 107 CO 0.47 0.02 1.15 -0.89 0.98 0.00 0.00 173.24 174.96 1sql s THR 108 N -2.15 3.26 0.28 2.02 2.01 -1.26 -5.05 115.64 114.75 1sql s THR 108 Ca 0.31 1.11 -0.13 0.00 0.31 0.00 0.00 61.69 63.29 1sql s THR 108 Cb -0.07 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1sql s THR 108 CO 0.20 0.15 0.54 0.27 -0.69 0.00 0.00 174.62 175.09 1sql s ILE 109 N -1.36 0.00 -0.16 1.82 -0.00 -1.26 -5.08 121.20 115.16 1sql s ILE 109 Ca 0.53 -1.34 -0.14 0.00 -0.00 0.00 0.00 60.65 59.70 1sql s ILE 109 Cb -0.31 -2.30 -0.10 0.00 -0.00 0.00 0.00 42.46 39.75 1sql s ILE 109 CO 0.39 0.00 0.06 0.44 -0.00 0.00 0.00 174.94 175.83 1sql h ASP 110 N 2.18 0.00 -5.46 4.36 3.32 -1.96 -3.50 116.42 115.36 1sql h ASP 110 Ca -0.26 -0.26 0.28 0.00 0.02 0.00 0.00 57.03 56.81 1sql h ASP 110 Cb 1.25 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 1sql h ASP 110 CO 0.35 1.01 0.75 -0.72 -1.72 0.00 0.00 179.24 178.90 1sql s TYR 111 N -2.20 -0.08 -0.00 4.55 -0.85 -1.26 -4.46 117.35 113.04 1sql s TYR 111 Ca -0.18 -0.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.36 1sql s TYR 111 Cb 0.03 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.91 1sql s TYR 111 CO 0.37 -0.38 -0.16 -0.51 -1.52 0.00 0.00 175.55 173.34 1sql s LEU 112 N -2.86 2.06 0.00 -3.49 1.43 -0.91 -4.95 118.68 109.96 1sql s LEU 112 Ca 0.13 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1sql s LEU 112 Cb 0.03 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.47 1sql s LEU 112 CO -0.03 0.18 0.40 0.61 0.23 0.00 0.00 176.35 177.73 1sql n GLY 113 N 2.53 0.91 3.54 -3.19 0.00 -1.26 -0.06 105.19 107.67 1sql n GLY 113 Ca -0.15 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.32 2.91 -0.20 1.61 -7.23 0.11 -4.96 120.40 110.32 1sql s VAL 114 Ca 0.09 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1sql s VAL 114 Cb -0.01 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.50 1sql s VAL 114 CO 0.01 -0.31 0.16 -0.62 -0.31 0.00 0.00 175.10 174.03 1sql s ASP 115 N -3.35 2.00 0.19 4.85 3.68 -1.26 -1.59 116.67 121.19 1sql s ASP 115 Ca 0.29 -0.51 0.11 0.00 2.13 0.00 0.00 52.55 54.56 1sql s ASP 115 Cb -0.06 0.05 -0.04 0.00 -1.45 0.00 0.00 42.92 41.41 1sql s ASP 115 CO 0.16 -0.35 -0.24 0.27 0.13 0.00 0.00 175.17 175.14 1sql s ILE 116 N 2.23 2.32 -0.08 4.11 -5.25 -0.01 -4.96 121.20 119.55 1sql s ILE 116 Ca 0.05 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 57.73 1sql s ILE 116 Cb -0.16 -2.10 0.01 0.00 2.95 0.00 0.00 42.46 43.17 1sql s ILE 116 CO -0.14 -0.11 -0.14 0.12 -1.79 0.00 0.00 174.94 172.88 1sql s PHE 117 N -1.64 1.70 -0.12 1.37 5.36 -1.26 0.18 117.98 123.57 1sql s PHE 117 Ca 0.20 -0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 55.45 1sql s PHE 117 Cb -0.08 -1.24 0.03 0.00 -0.34 0.00 0.00 43.02 41.40 1sql s PHE 117 CO 0.09 -0.36 -0.04 1.03 -1.46 0.00 0.00 175.22 174.48 1sql s ARG 118 N 0.81 1.16 0.32 10.12 1.81 0.87 -4.98 118.95 129.07 1sql s ARG 118 Ca -0.11 -0.23 -0.10 0.00 -1.72 0.00 0.00 55.73 53.57 1sql s ARG 118 Cb -0.15 -1.56 -0.07 0.00 -0.45 0.00 0.00 34.95 32.72 1sql s ARG 118 CO 0.02 -0.35 0.66 -1.14 -0.68 0.00 0.00 175.30 173.81 1sql s GLN 119 N 1.78 3.80 0.32 3.54 0.74 -1.26 -1.20 119.66 127.38 1sql s GLN 119 Ca 0.03 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.52 1sql s GLN 119 Cb -0.13 -2.52 -0.10 0.00 1.10 0.00 0.00 33.01 31.36 1sql s GLN 119 CO -0.07 0.14 1.31 0.50 -0.55 0.00 0.00 175.29 176.62 1sql s ARG 120 N -3.36 4.37 0.00 1.67 3.52 -0.64 -4.97 118.95 119.54 1sql s ARG 120 Ca 0.49 2.19 0.02 0.00 -0.13 0.00 0.00 55.73 58.30 1sql s ARG 120 Cb -0.11 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 1sql s ARG 120 CO 0.26 -0.19 0.55 -1.71 -0.81 0.00 0.00 175.30 173.40