#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 4.02 0.08 1.61 1.01 -1.26 -4.90 116.67 117.23 1sql s ASP 2 Ca 0.00 1.97 -0.21 0.00 0.71 0.00 0.00 52.55 55.02 1sql s ASP 2 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.44 1sql s ASP 2 CO 0.00 -2.36 0.51 -1.59 0.21 0.00 0.00 175.17 171.93 1sql s LYS 3 N -4.75 1.07 -0.14 8.23 -2.85 -1.25 -1.94 119.74 118.12 1sql s LYS 3 Ca 0.64 -0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 55.14 1sql s LYS 3 Cb -0.19 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1sql s LYS 3 CO 0.55 -0.41 0.22 -0.51 0.10 0.00 0.00 175.35 175.31 1sql s LEU 4 N -2.24 4.31 -0.13 2.77 1.43 0.10 -4.91 118.68 120.00 1sql s LEU 4 Ca -0.03 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1sql s LEU 4 Cb -0.00 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1sql s LEU 4 CO -0.05 0.24 -0.13 -0.63 0.23 0.00 0.00 176.35 176.01 1sql s ILE 5 N -0.17 3.10 -0.30 -0.59 1.09 -1.26 -1.31 121.20 121.75 1sql s ILE 5 Ca 0.15 -0.65 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 1sql s ILE 5 Cb -0.13 -2.30 0.09 0.00 -1.06 0.00 0.00 42.46 39.06 1sql s ILE 5 CO 0.04 0.53 0.02 -0.76 -0.10 0.00 0.00 174.94 174.66 1sql s LEU 6 N 0.31 3.68 -0.13 2.97 1.02 -0.50 -5.02 118.68 121.00 1sql s LEU 6 Ca -0.10 -1.77 -0.03 0.00 0.02 0.00 0.00 54.13 52.25 1sql s LEU 6 Cb -0.16 -1.38 -0.03 0.00 0.02 0.00 0.00 46.19 44.64 1sql s LEU 6 CO 0.05 -0.34 -0.03 -0.75 0.02 0.00 0.00 176.35 175.30 1sql s LYS 7 N 1.16 3.44 -1.30 1.70 2.47 -1.26 -0.68 119.74 125.27 1sql s LYS 7 Ca 0.05 -0.50 -0.07 0.00 -1.56 0.00 0.00 55.97 53.89 1sql s LYS 7 Cb -0.19 -2.85 0.01 0.00 -1.46 0.00 0.00 37.83 33.34 1sql s LYS 7 CO -0.11 0.38 1.13 0.41 0.16 0.00 0.00 175.35 177.32 1sql n GLY 8 N 3.12 -0.48 3.70 5.54 0.00 -1.20 -4.95 105.19 110.92 1sql n GLY 8 Ca -0.18 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -7.00 4.35 -0.25 0.99 1.02 -0.27 -4.83 118.68 112.69 1sql s LEU 9 Ca 0.46 2.25 -0.06 0.00 0.02 0.00 0.00 54.13 56.79 1sql s LEU 9 Cb -0.20 -3.57 -0.01 0.00 0.02 0.00 0.00 46.19 42.42 1sql s LEU 9 CO 0.72 -0.71 0.04 -0.75 0.02 0.00 0.00 176.35 175.67 1sql s LYS 10 N 1.87 3.43 0.03 1.70 2.20 -1.26 -1.61 119.74 126.11 1sql s LYS 10 Ca 0.65 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1sql s LYS 10 Cb -0.35 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1sql s LYS 10 CO 0.29 -0.26 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.86 1sql s PHE 11 N 1.55 0.87 -0.06 4.03 0.08 -0.83 -4.98 117.98 118.63 1sql s PHE 11 Ca 0.05 -0.35 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 1sql s PHE 11 Cb -0.15 -0.52 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 1sql s PHE 11 CO 0.01 -0.01 0.42 -0.47 -0.10 0.00 0.00 175.22 175.07 1sql s TYR 12 N -0.87 3.62 0.36 0.36 6.14 -1.26 0.14 117.35 125.83 1sql s TYR 12 Ca -0.02 0.91 -0.01 0.00 0.64 0.00 0.00 57.07 58.59 1sql s TYR 12 Cb -0.07 -2.40 0.01 0.00 0.42 0.00 0.00 41.96 39.91 1sql s TYR 12 CO 0.01 0.42 0.48 0.41 0.64 0.00 0.00 175.55 177.51 1sql n GLY 13 N 2.55 2.14 1.15 8.97 0.00 0.83 -4.28 105.19 116.55 1sql n GLY 13 Ca -0.11 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.31 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 0.11 -2.26 1.61 3.01 -1.26 -0.21 117.46 117.87 1sql n PHE 14 Ca 0.01 -1.04 -0.33 0.00 1.01 0.00 0.00 57.45 57.11 1sql n PHE 14 Cb 0.60 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.86 1sql n PHE 14 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1sql s HIS 15 N -1.65 3.13 0.00 1.38 3.76 -1.26 -4.01 115.29 116.64 1sql s HIS 15 Ca 0.36 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1sql s HIS 15 Cb 0.38 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 31.12 1sql s HIS 15 CO -0.12 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 1sql n GLY 16 N -1.02 3.20 0.02 -2.22 0.00 0.39 -4.70 105.19 100.87 1sql n GLY 16 Ca 0.08 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.91 1sql n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sql n ALA 17 N -1.50 3.56 -2.72 4.61 0.00 -1.22 -4.12 120.51 119.12 1sql n ALA 17 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 1sql n ALA 17 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1sql n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sql s ILE 18 N -3.27 5.18 0.39 0.00 -1.09 -1.26 -4.98 121.20 116.17 1sql s ILE 18 Ca 0.00 0.98 0.11 0.00 -2.23 0.00 0.00 60.65 59.52 1sql s ILE 18 Cb 0.15 -3.83 0.33 0.00 -1.58 0.00 0.00 42.46 37.52 1sql s ILE 18 CO 0.86 0.32 1.93 0.00 -1.23 0.00 0.00 174.94 176.82 1sql h ALA 19 N 6.75 1.92 0.00 9.38 0.00 -2.00 0.23 119.26 135.53 1sql h ALA 19 Ca -0.41 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1sql h ALA 19 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1sql h ALA 19 CO 0.76 -0.10 -0.30 0.93 0.00 0.00 0.00 179.25 180.53 1sql h GLU 20 N 0.57 0.00 -0.33 0.00 3.07 -1.99 -1.81 114.58 114.09 1sql h GLU 20 Ca 0.36 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.10 1sql h GLU 20 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1sql h GLU 20 CO -0.13 0.30 -0.30 0.93 -1.40 0.00 0.00 179.01 178.42 1sql h GLU 21 N 0.00 0.70 0.00 2.33 5.08 -1.32 -0.08 114.58 121.30 1sql h GLU 21 Ca -0.00 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1sql h GLU 21 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1sql h GLU 21 CO 0.04 0.91 -0.22 0.00 -1.00 0.00 0.00 179.01 178.74 1sql h ARG 22 N 0.60 0.00 0.00 2.33 2.47 -1.20 0.27 114.38 118.85 1sql h ARG 22 Ca 0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1sql h ARG 22 Cb 0.81 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1sql h ARG 22 CO 0.07 0.22 -0.03 1.15 0.56 0.00 0.00 179.97 181.93 1sql h THR 23 N 0.00 0.44 -0.09 2.04 2.02 -1.13 -3.40 112.91 112.79 1sql h THR 23 Ca -0.00 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.77 1sql h THR 23 Cb 0.94 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1sql h THR 23 CO 0.03 0.15 -0.21 -0.07 0.37 0.00 0.00 175.52 175.79 1sql h LEU 24 N -1.00 0.34 0.00 2.58 3.38 -1.08 -3.50 115.31 116.03 1sql h LEU 24 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1sql h LEU 24 Cb 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sql h LEU 24 CO -0.00 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1sql n GLY 25 N 0.48 -2.40 3.75 0.83 0.00 0.95 -5.01 105.19 103.80 1sql n GLY 25 Ca -0.07 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.73 0.52 0.17 1.61 -2.07 0.71 -4.97 119.66 114.90 1sql s GLN 26 Ca 0.00 -0.31 -0.19 0.00 -1.82 0.00 0.00 55.36 53.04 1sql s GLN 26 Cb 0.00 0.16 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 1sql s GLN 26 CO 0.00 -0.24 0.65 -1.64 -1.32 0.00 0.00 175.29 172.74 1sql s MET 27 N -2.34 4.20 0.09 9.60 -1.94 -1.26 -0.12 119.30 127.53 1sql s MET 27 Ca 0.19 0.77 0.08 0.00 -1.71 0.00 0.00 55.69 55.02 1sql s MET 27 Cb 0.02 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.83 1sql s MET 27 CO -0.02 0.49 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.20 1sql s PHE 28 N -1.38 1.86 -0.01 -0.03 0.40 0.12 -4.30 117.98 114.64 1sql s PHE 28 Ca 0.38 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1sql s PHE 28 Cb -0.17 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 1sql s PHE 28 CO 0.21 0.19 -0.18 -0.51 0.70 0.00 0.00 175.22 175.62 1sql s LEU 29 N -1.73 2.53 -0.06 -0.37 1.43 -0.08 -1.97 118.68 118.43 1sql s LEU 29 Ca 0.08 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1sql s LEU 29 Cb -0.10 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1sql s LEU 29 CO 0.04 0.31 0.15 0.54 0.23 0.00 0.00 176.35 177.62 1sql s VAL 30 N -0.77 -0.02 -0.08 -1.59 0.11 -0.63 -0.80 120.40 116.63 1sql s VAL 30 Ca 0.12 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1sql s VAL 30 Cb -0.10 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1sql s VAL 30 CO 0.02 0.02 -0.22 -1.81 -3.33 0.00 0.00 175.10 169.79 1sql s ASP 31 N 0.46 2.77 -0.04 3.54 1.01 -0.25 -1.11 116.67 123.05 1sql s ASP 31 Ca -0.03 -0.48 0.04 0.00 0.71 0.00 0.00 52.55 52.78 1sql s ASP 31 Cb -0.05 -1.06 0.00 0.00 1.01 0.00 0.00 42.92 42.83 1sql s ASP 31 CO -0.02 0.17 -0.14 -0.63 0.21 0.00 0.00 175.17 174.75 1sql s ILE 32 N 0.20 1.22 -0.23 0.77 1.01 0.14 -0.20 121.20 124.11 1sql s ILE 32 Ca -0.12 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1sql s ILE 32 Cb -0.16 -1.06 0.05 0.00 0.01 0.00 0.00 42.46 41.30 1sql s ILE 32 CO 0.06 0.36 -0.11 -1.81 0.00 0.00 0.00 174.94 173.44 1sql s ASP 33 N 0.16 3.93 -0.32 3.58 1.11 -0.44 -1.42 116.67 123.28 1sql s ASP 33 Ca -0.05 -1.15 -0.12 0.00 0.18 0.00 0.00 52.55 51.41 1sql s ASP 33 Cb -0.11 -1.39 -0.02 0.00 1.07 0.00 0.00 42.92 42.46 1sql s ASP 33 CO 0.02 -0.17 0.21 0.00 1.18 0.00 0.00 175.17 176.41 1sql s ALA 34 N 1.25 3.46 -0.35 5.23 0.00 -0.42 -1.38 121.76 129.55 1sql s ALA 34 Ca -0.05 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1sql s ALA 34 Cb -0.18 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1sql s ALA 34 CO -0.07 -0.84 1.14 -1.58 0.00 0.00 0.00 175.76 174.42 1sql s TRP 35 N 1.71 2.97 -0.27 0.00 0.51 0.10 -0.72 118.94 123.23 1sql s TRP 35 Ca 0.06 1.02 -0.24 0.00 -2.12 0.00 0.00 56.10 54.81 1sql s TRP 35 Cb -0.17 -3.91 0.08 0.00 -0.81 0.00 0.00 33.47 28.66 1sql s TRP 35 CO 0.10 -1.10 0.75 0.54 -0.51 0.00 0.00 176.95 176.72 1sql s VAL 36 N 4.01 0.00 0.13 4.03 0.11 -0.82 0.17 120.40 128.04 1sql s VAL 36 Ca 0.49 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.22 1sql s VAL 36 Cb -0.12 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.64 1sql s VAL 36 CO 0.21 0.00 1.45 -0.55 -3.33 0.00 0.00 175.10 172.88 1sql s SER 37 N 0.47 6.74 0.00 3.54 0.15 -1.26 -3.90 113.70 119.44 1sql s SER 37 Ca -0.01 2.43 0.07 0.00 0.70 0.00 0.00 55.95 59.14 1sql s SER 37 Cb -0.05 -2.59 0.13 0.00 -1.71 0.00 0.00 66.02 61.80 1sql s SER 37 CO -0.01 -0.71 0.96 0.18 1.20 0.00 0.00 173.24 174.85 1sql n LEU 38 N 3.93 2.13 -0.12 3.45 4.77 -1.26 -4.68 117.00 125.21 1sql n LEU 38 Ca 0.12 -1.53 -0.08 0.00 -0.03 0.00 0.00 56.01 54.49 1sql n LEU 38 Cb 0.41 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1sql n LEU 38 CO 0.60 0.50 1.00 0.50 -1.33 0.00 0.00 177.39 178.66 1sql h LYS 39 N 1.35 0.52 -0.05 3.23 1.63 -1.95 0.38 116.57 121.68 1sql h LYS 39 Ca 0.00 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1sql h LYS 39 Cb 0.48 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1sql h LYS 39 CO 0.00 0.39 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.16 1sql h LYS 40 N 0.50 0.00 -0.10 1.90 3.64 -1.89 -2.14 116.57 118.49 1sql h LYS 40 Ca 0.14 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1sql h LYS 40 Cb -0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sql h LYS 40 CO -0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 179.45 176.82 1sql h ALA 41 N 1.05 1.25 0.00 5.00 0.00 -1.68 -1.22 119.26 123.66 1sql h ALA 41 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1sql h ALA 41 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sql h ALA 41 CO -0.05 0.51 -0.07 0.78 0.00 0.00 0.00 179.25 180.43 1sql h GLY 42 N 1.10 0.00 0.38 0.00 0.00 -0.47 0.21 103.07 104.30 1sql h GLY 42 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.01 1sql h GLY 42 CO 0.05 0.00 -2.13 1.18 0.00 0.00 0.00 176.54 175.64 1sql n GLU 43 N -3.36 0.67 -0.02 4.80 1.02 -0.79 -4.49 120.64 118.47 1sql n GLU 43 Ca -0.01 0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1sql n GLU 43 Cb 0.22 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.90 0.80 -2.35 1.62 3.41 -0.53 -4.96 113.62 108.72 1sql n SER 44 Ca -0.28 0.38 -0.21 0.00 -0.26 0.00 0.00 58.87 58.50 1sql n SER 44 Cb 1.11 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 65.12 1sql n SER 44 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sql n ASP 45 N -2.99 -5.92 -4.31 4.04 2.03 0.73 -4.97 116.55 105.16 1sql n ASP 45 Ca -0.16 0.01 -0.35 0.00 0.52 0.00 0.00 54.79 54.81 1sql n ASP 45 Cb 1.01 -4.94 -0.14 0.00 -0.72 0.00 0.00 41.12 36.33 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 -2.10 4.31 0.64 1.67 3.84 -1.26 -5.00 114.94 117.05 1sql s ASN 46 Ca 0.00 -0.39 0.28 0.00 0.21 0.00 0.00 52.86 52.97 1sql s ASN 46 Cb 0.00 -1.74 1.51 0.00 -0.55 0.00 0.00 41.25 40.47 1sql s ASN 46 CO 0.00 -0.02 1.88 0.25 -2.79 0.00 0.00 177.10 176.42 1sql h LEU 47 N 8.10 0.00 -0.94 3.21 5.85 -1.93 -0.93 115.31 128.67 1sql h LEU 47 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1sql h LEU 47 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 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 -0.08 1.25 5.08 -2.00 -2.91 114.58 115.92 1sql h GLU 48 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sql h GLU 48 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 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 -3.08 0.59 -0.99 1.42 10.43 -0.35 -4.85 116.55 119.71 1sql n ASP 49 Ca 0.02 -1.70 0.00 0.00 2.57 0.00 0.00 54.79 55.68 1sql n ASP 49 Cb 0.38 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.29 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 -0.31 0.00 -4.34 -3.53 5.66 -1.10 -4.11 114.28 106.54 1sql n THR 50 Ca 0.11 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.77 1sql n THR 50 Cb 0.13 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.76 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 -2.10 2.41 0.06 1.09 1.01 -1.26 -5.02 121.20 117.40 1sql s ILE 51 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1sql s ILE 51 Cb 0.00 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.36 1sql s ILE 51 CO 0.00 0.52 1.90 -0.55 0.00 0.00 0.00 174.94 176.81 1sql s SER 52 N 1.06 6.45 0.44 3.58 0.15 -1.26 -4.84 113.70 119.29 1sql s SER 52 Ca -0.01 2.68 0.30 0.00 0.70 0.00 0.00 55.95 59.62 1sql s SER 52 Cb -0.14 -2.54 1.52 0.00 -1.71 0.00 0.00 66.02 63.14 1sql s SER 52 CO -0.05 -1.03 1.92 0.10 1.20 0.00 0.00 173.24 175.38 1sql h TYR 53 N 9.82 0.00 -0.44 3.44 -0.00 -1.99 -1.32 116.97 126.47 1sql h TYR 53 Ca -0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.14 1sql h TYR 53 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.94 1sql h TYR 53 CO 0.89 0.00 -0.16 0.28 -0.00 0.00 0.00 178.16 179.17 1sql h VAL 54 N 0.00 1.27 -0.54 -0.90 2.07 -1.99 -0.52 116.25 115.64 1sql h VAL 54 Ca 0.00 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1sql h VAL 54 Cb 0.16 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1sql h VAL 54 CO 0.00 0.44 0.15 0.44 0.02 0.00 0.00 177.57 178.62 1sql h ASP 55 N 0.72 0.81 -0.35 0.57 3.45 -1.62 -0.96 116.42 119.05 1sql h ASP 55 Ca 0.11 -0.22 -0.04 0.00 0.43 0.00 0.00 57.03 57.30 1sql h ASP 55 Cb 0.72 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1sql h ASP 55 CO 0.05 0.82 0.06 0.40 -1.57 0.00 0.00 179.24 179.00 1sql h ILE 56 N 0.76 1.24 -0.41 0.35 2.04 -1.42 -1.51 117.51 118.56 1sql h ILE 56 Ca 0.17 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.27 1sql h ILE 56 Cb 0.32 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1sql h ILE 56 CO -0.00 0.28 0.01 0.15 0.00 0.00 0.00 178.15 178.59 1sql h PHE 57 N 0.41 -0.01 0.00 1.37 3.57 -0.85 -0.50 116.94 120.93 1sql h PHE 57 Ca 0.11 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1sql h PHE 57 Cb 0.35 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1sql h PHE 57 CO 0.02 -0.07 -0.27 0.66 -2.23 0.00 0.00 178.31 176.42 1sql h SER 58 N 0.12 0.00 -0.08 0.41 4.64 -0.97 0.48 113.55 118.15 1sql h SER 58 Ca 0.20 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 1sql h SER 58 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1sql h SER 58 CO -0.33 0.27 -0.61 0.25 -0.87 0.00 0.00 176.83 175.55 1sql h LEU 59 N 0.00 0.67 -0.44 5.97 5.85 -0.52 -2.41 115.31 124.43 1sql h LEU 59 Ca -0.00 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1sql h LEU 59 Cb 0.66 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1sql h LEU 59 CO 0.04 1.25 0.22 0.00 -0.34 0.00 0.00 178.44 179.60 1sql h ALA 60 N 0.44 0.57 -0.45 1.25 0.00 -0.72 -1.90 119.26 118.45 1sql h ALA 60 Ca -0.05 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1sql h ALA 60 Cb 1.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1sql h ALA 60 CO 0.12 0.12 0.21 -0.22 0.00 0.00 0.00 179.25 179.48 1sql h LYS 61 N 0.57 0.40 -0.94 0.00 3.64 -0.94 -1.39 116.57 117.91 1sql h LYS 61 Ca 0.15 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1sql h LYS 61 Cb 0.10 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1sql h LYS 61 CO -0.02 0.27 0.61 0.93 -2.27 0.00 0.00 179.45 178.97 1sql h GLU 62 N 0.42 1.16 0.41 1.90 5.08 -1.07 -0.79 114.58 121.68 1sql h GLU 62 Ca 0.20 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1sql h GLU 62 Cb 0.14 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1sql h GLU 62 CO -0.16 0.77 -0.20 0.82 -1.00 0.00 0.00 179.01 179.24 1sql h ILE 63 N 1.19 0.45 -0.42 3.13 1.08 -0.76 -1.90 117.51 120.28 1sql h ILE 63 Ca 0.37 -0.56 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1sql h ILE 63 Cb -0.00 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 1sql h ILE 63 CO -0.12 0.08 0.21 0.58 -0.69 0.00 0.00 178.15 178.21 1sql h VAL 64 N -0.94 1.14 -0.04 1.67 2.07 -1.20 -0.44 116.25 118.51 1sql h VAL 64 Ca -0.06 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1sql h VAL 64 Cb 0.56 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1sql h VAL 64 CO 0.09 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1sql n GLU 65 N -4.41 1.51 0.00 1.57 1.02 -0.31 -4.42 120.64 115.59 1sql n GLU 65 Ca 0.03 -0.74 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 1sql n GLU 65 Cb 0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.11 0.72 3.69 0.62 0.00 -0.18 -4.92 105.19 106.24 1sql n GLY 66 Ca 0.19 -1.66 -0.53 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 2.71 -4.76 1.61 2.88 -1.26 -4.77 113.62 110.03 1sql n SER 67 Ca 0.00 1.05 -0.41 0.00 -1.33 0.00 0.00 58.87 58.17 1sql n SER 67 Cb 0.00 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 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 3.19 4.21 0.39 -1.46 0.04 -1.26 -4.97 135.00 135.13 1sql s PRO 68 Ca 0.94 2.42 0.07 0.00 0.04 0.00 0.00 61.00 64.46 1sql s PRO 68 Cb -0.91 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 30.51 1sql s PRO 68 CO 0.57 -0.47 0.00 1.03 0.04 0.00 0.00 177.00 178.17 1sql s ARG 69 N -0.92 1.89 -0.04 4.56 1.81 -1.26 -4.97 118.95 120.01 1sql s ARG 69 Ca 0.58 -2.05 -0.25 0.00 -1.72 0.00 0.00 55.73 52.29 1sql s ARG 69 Cb -0.44 -1.53 -0.22 0.00 -0.45 0.00 0.00 34.95 32.31 1sql s ARG 69 CO 0.50 -0.04 1.09 -0.91 -0.68 0.00 0.00 175.30 175.25 1sql h ASN 70 N 1.86 0.16 -3.29 0.23 2.35 -1.96 0.11 115.58 115.05 1sql h ASN 70 Ca -0.43 -0.70 -0.64 0.00 -0.55 0.00 0.00 56.30 53.98 1sql h ASN 70 Cb 1.24 -0.05 -0.15 0.00 0.05 0.00 0.00 38.32 39.42 1sql h ASN 70 CO 0.78 0.84 -0.72 -0.76 -1.65 0.00 0.00 177.43 175.91 1sql s LEU 71 N -8.72 3.05 0.30 1.61 1.43 -1.26 -3.07 118.68 112.03 1sql s LEU 71 Ca -0.16 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1sql s LEU 71 Cb 0.01 -1.79 0.49 0.00 0.03 0.00 0.00 46.19 44.92 1sql s LEU 71 CO 0.72 0.14 1.86 -0.07 0.23 0.00 0.00 176.35 179.24 1sql h LEU 72 N 3.26 0.69 -0.83 1.79 3.38 -1.97 -2.13 115.31 119.50 1sql h LEU 72 Ca -0.48 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 57.51 1sql h LEU 72 Cb 1.18 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1sql h LEU 72 CO 0.53 0.67 0.43 -0.33 0.09 0.00 0.00 178.44 179.84 1sql h GLU 73 N 0.73 0.63 -0.28 1.13 3.07 -1.95 0.31 114.58 118.21 1sql h GLU 73 Ca 0.17 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1sql h GLU 73 Cb 0.25 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1sql h GLU 73 CO -0.00 0.42 -0.18 1.15 -1.40 0.00 0.00 179.01 179.00 1sql h THR 74 N 0.65 1.30 -0.46 1.13 2.02 -1.81 -1.02 112.91 114.71 1sql h THR 74 Ca 0.44 -1.30 -0.14 0.00 0.77 0.00 0.00 66.41 66.18 1sql h THR 74 Cb 0.56 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1sql h THR 74 CO -0.33 0.41 -0.25 0.58 0.37 0.00 0.00 175.52 176.30 1sql h VAL 75 N 0.35 1.27 -0.69 3.16 2.07 -1.09 -1.13 116.25 120.20 1sql h VAL 75 Ca 0.06 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1sql h VAL 75 Cb 0.71 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1sql h VAL 75 CO 0.05 0.49 0.27 0.00 0.02 0.00 0.00 177.57 178.40 1sql h ALA 76 N 0.85 1.18 -0.61 1.67 0.00 -0.39 -1.43 119.26 120.52 1sql h ALA 76 Ca 0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1sql h ALA 76 Cb 0.84 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1sql h ALA 76 CO 0.07 0.59 0.06 1.49 0.00 0.00 0.00 179.25 181.47 1sql h GLU 77 N 0.99 1.03 -0.42 0.00 4.57 -0.87 -1.90 114.58 117.97 1sql h GLU 77 Ca 0.23 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1sql h GLU 77 Cb 0.20 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1sql h GLU 77 CO -0.02 0.98 0.15 -0.07 -1.18 0.00 0.00 179.01 178.87 1sql h LEU 78 N 0.93 0.59 -0.19 1.64 3.38 -0.78 -0.56 115.31 120.33 1sql h LEU 78 Ca 0.18 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1sql h LEU 78 Cb 0.47 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1sql h LEU 78 CO 0.02 0.62 -0.03 0.40 0.09 0.00 0.00 178.44 179.54 1sql h ILE 79 N 0.53 0.84 0.09 1.22 2.04 -1.11 -0.45 117.51 120.67 1sql h ILE 79 Ca 0.14 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1sql h ILE 79 Cb 0.22 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1sql h ILE 79 CO -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.11 1sql h ALA 80 N 1.17 -0.11 0.41 1.87 0.00 -1.18 -1.63 119.26 119.79 1sql h ALA 80 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sql h ALA 80 Cb 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sql h ALA 80 CO -0.17 -0.55 -0.29 0.77 0.00 0.00 0.00 179.25 179.01 1sql h SER 81 N -0.15 -0.75 -0.71 0.00 0.02 -0.93 -1.02 113.55 110.02 1sql h SER 81 Ca -0.01 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sql h SER 81 Cb 0.12 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1sql h SER 81 CO 0.02 -0.44 0.44 0.11 -1.14 0.00 0.00 176.83 175.81 1sql h LYS 82 N -0.69 0.97 0.05 3.45 1.79 -1.13 0.38 116.57 121.39 1sql h LYS 82 Ca -0.04 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1sql h LYS 82 Cb 0.58 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1sql h LYS 82 CO 0.01 0.67 -0.02 1.15 -1.08 0.00 0.00 179.45 180.19 1sql h THR 83 N 0.99 1.07 -0.61 -0.16 2.02 -1.06 0.35 112.91 115.50 1sql h THR 83 Ca 0.26 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1sql h THR 83 Cb -0.05 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1sql h THR 83 CO -0.05 0.10 0.36 -0.07 0.37 0.00 0.00 175.52 176.23 1sql h LEU 84 N -0.23 0.74 -0.82 2.58 3.38 -0.76 0.41 115.31 120.61 1sql h LEU 84 Ca -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1sql h LEU 84 Cb 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1sql h LEU 84 CO 0.01 0.59 0.44 -0.08 0.09 0.00 0.00 178.44 179.50 1sql h GLU 85 N 0.83 1.14 0.00 1.13 4.81 -0.00 -3.15 114.58 119.34 1sql h GLU 85 Ca 0.22 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1sql h GLU 85 Cb -0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1sql h GLU 85 CO -0.04 0.85 -0.78 -0.22 -0.73 0.00 0.00 179.01 178.09 1sql h LYS 86 N 1.14 0.00 -3.12 1.92 3.64 0.02 -3.42 116.57 116.75 1sql h LYS 86 Ca 0.29 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 59.04 1sql h LYS 86 Cb 0.04 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.45 1sql h LYS 86 CO -0.04 0.23 -0.68 -0.06 -2.27 0.00 0.00 179.45 176.63 1sql s PHE 87 N -3.09 2.67 0.23 1.91 0.08 0.10 -4.98 117.98 114.90 1sql s PHE 87 Ca 0.02 -2.87 -0.09 0.00 0.12 0.00 0.00 56.93 54.11 1sql s PHE 87 Cb 0.08 -2.33 0.37 0.00 -0.57 0.00 0.00 43.02 40.56 1sql s PHE 87 CO 0.76 -0.73 1.65 1.12 -0.10 0.00 0.00 175.22 177.93 1sql h HIS 88 N 6.35 -0.01 -1.01 0.36 -0.00 -1.82 -1.80 115.15 117.22 1sql h HIS 88 Ca 0.00 0.05 0.24 0.00 -0.00 0.00 0.00 60.37 60.67 1sql h HIS 88 Cb 0.88 0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 28.30 1sql h HIS 88 CO 0.52 -0.18 0.64 1.96 -0.00 0.00 0.00 177.93 180.86 1sql h GLN 89 N 0.13 0.49 -6.50 5.12 4.20 -1.93 -3.41 115.11 113.21 1sql h GLN 89 Ca 0.37 -0.03 -0.53 0.00 0.06 0.00 0.00 58.65 58.52 1sql h GLN 89 Cb 0.62 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 28.32 1sql h GLN 89 CO -0.58 0.32 0.95 0.42 -0.67 0.00 0.00 178.83 179.27 1sql s ILE 90 N -5.61 2.96 0.01 2.54 1.01 -0.68 -4.75 121.20 116.69 1sql s ILE 90 Ca -0.10 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.11 1sql s ILE 90 Cb 0.25 -3.33 -0.25 0.00 0.01 0.00 0.00 42.46 39.14 1sql s ILE 90 CO 0.80 0.01 0.87 0.78 0.00 0.00 0.00 174.94 177.40 1sql h ASN 91 N 7.80 0.18 -5.01 3.58 2.35 -0.52 -3.49 115.58 120.48 1sql h ASN 91 Ca -0.42 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.08 1sql h ASN 91 Cb 1.20 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.43 1sql h ASN 91 CO 0.92 1.23 0.21 0.00 -1.65 0.00 0.00 177.43 178.14 1sql s ALA 92 N -2.63 -1.38 -0.14 -0.83 0.00 -1.23 -4.31 121.76 111.25 1sql s ALA 92 Ca -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1sql s ALA 92 Cb 0.08 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.11 1sql s ALA 92 CO 0.83 -0.90 0.34 0.54 0.00 0.00 0.00 175.76 176.57 1sql s VAL 93 N -3.84 -0.02 -0.19 0.00 0.11 -0.19 -0.72 120.40 115.54 1sql s VAL 93 Ca 0.06 0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 1sql s VAL 93 Cb -0.03 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1sql s VAL 93 CO -0.03 0.03 -0.00 -0.60 -3.33 0.00 0.00 175.10 171.17 1sql s ARG 94 N 0.93 3.63 -0.12 1.54 3.52 -0.48 -1.01 118.95 126.97 1sql s ARG 94 Ca -0.06 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 1sql s ARG 94 Cb -0.07 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1sql s ARG 94 CO -0.07 0.05 -0.18 0.08 -0.81 0.00 0.00 175.30 174.36 1sql s VAL 95 N 0.91 1.75 -0.24 7.11 1.01 -0.32 -1.32 120.40 129.29 1sql s VAL 95 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1sql s VAL 95 Cb -0.14 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1sql s VAL 95 CO 0.02 0.49 -0.06 -0.54 0.00 0.00 0.00 175.10 175.01 1sql s LYS 96 N 0.87 2.95 -0.10 2.72 1.02 0.72 -1.79 119.74 126.12 1sql s LYS 96 Ca -0.08 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1sql s LYS 96 Cb -0.15 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1sql s LYS 96 CO -0.01 -0.36 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.69 1sql s LEU 97 N 1.36 2.31 0.16 3.17 0.20 -0.89 -1.09 118.68 123.89 1sql s LEU 97 Ca 0.02 -0.47 -0.08 0.00 0.69 0.00 0.00 54.13 54.29 1sql s LEU 97 Cb -0.16 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1sql s LEU 97 CO -0.04 0.18 0.25 -0.44 -0.29 0.00 0.00 176.35 176.01 1sql s SER 98 N 0.23 0.08 -0.25 3.68 0.01 0.02 -0.37 113.70 117.10 1sql s SER 98 Ca -0.13 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.21 1sql s SER 98 Cb -0.16 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.50 1sql s SER 98 CO 0.07 -0.87 -0.05 -0.54 0.41 0.00 0.00 173.24 172.26 1sql s LYS 99 N -3.97 2.88 0.29 12.44 1.02 0.07 -0.90 119.74 131.56 1sql s LYS 99 Ca 0.17 -0.95 0.11 0.00 0.02 0.00 0.00 55.97 55.32 1sql s LYS 99 Cb 0.04 -3.01 0.41 0.00 -0.52 0.00 0.00 37.83 34.76 1sql s LYS 99 CO -0.00 -0.39 1.65 -1.35 -0.92 0.00 0.00 175.35 174.33 1sql h PRO 100 N 8.03 0.00 -4.62 -1.68 0.11 -1.78 -2.77 132.00 129.30 1sql h PRO 100 Ca -0.33 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.10 1sql h PRO 100 Cb 1.11 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.85 1sql h PRO 100 CO 0.58 0.58 -0.65 -0.80 -0.21 0.00 0.00 178.00 177.50 1sql s ASN 101 N -6.85 4.97 -0.23 -2.05 0.01 -1.26 -4.59 114.94 104.94 1sql s ASN 101 Ca -0.01 -1.98 -0.15 0.00 -0.71 0.00 0.00 52.86 50.00 1sql s ASN 101 Cb 0.13 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 1sql s ASN 101 CO 0.76 -0.43 0.37 -0.69 -1.51 0.00 0.00 177.10 175.59 1sql s VAL 102 N 1.05 5.21 0.45 1.60 1.01 -1.26 -4.98 120.40 123.46 1sql s VAL 102 Ca 0.07 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 1sql s VAL 102 Cb -0.21 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1sql s VAL 102 CO -0.06 0.23 1.44 0.00 0.00 0.00 0.00 175.10 176.72 1sql s ALA 103 N 1.54 3.27 0.00 5.51 0.00 -1.26 -3.09 121.76 127.73 1sql s ALA 103 Ca 0.17 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1sql s ALA 103 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1sql s ALA 103 CO 0.08 -1.21 0.00 1.28 0.00 0.00 0.00 175.76 175.91 1sql n LEU 104 N -0.15 0.00 -4.67 0.00 7.99 -1.26 -4.98 117.00 113.93 1sql n LEU 104 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.62 1sql n LEU 104 Cb 0.41 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 1sql n LEU 104 CO 0.60 0.00 1.30 -0.63 -1.51 0.00 0.00 177.39 177.14 1sql s ILE 105 N -0.90 3.65 -0.37 -0.08 1.01 -1.18 -4.89 121.20 118.45 1sql s ILE 105 Ca 0.00 0.85 0.22 0.00 0.00 0.00 0.00 60.65 61.72 1sql s ILE 105 Cb 0.00 -3.55 0.25 0.00 0.01 0.00 0.00 42.46 39.17 1sql s ILE 105 CO 0.00 -0.06 1.51 0.11 0.00 0.00 0.00 174.94 176.49 1sql h LYS 106 N 9.06 0.00 -6.59 2.79 6.56 -1.93 -3.47 116.57 122.98 1sql h LYS 106 Ca -0.38 0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 58.77 1sql h LYS 106 Cb 1.17 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.86 1sql h LYS 106 CO 0.95 0.07 -0.17 -1.54 -2.06 0.00 0.00 179.45 176.70 1sql s SER 107 N -6.13 5.69 0.10 0.86 1.04 -1.26 -5.09 113.70 108.91 1sql s SER 107 Ca 0.06 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 1sql s SER 107 Cb 0.06 -1.13 -0.07 0.00 0.10 0.00 0.00 66.02 64.98 1sql s SER 107 CO 0.70 -0.76 0.74 -0.89 0.98 0.00 0.00 173.24 174.01 1sql s THR 108 N -2.48 4.57 0.31 2.02 2.01 -1.26 -5.07 115.64 115.74 1sql s THR 108 Ca 0.51 1.61 -0.01 0.00 0.31 0.00 0.00 61.69 64.10 1sql s THR 108 Cb -0.10 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 1sql s THR 108 CO 0.35 0.46 0.39 0.27 -0.69 0.00 0.00 174.62 175.41 1sql s ILE 109 N -0.69 0.00 -0.18 1.82 -0.00 -1.26 -5.08 121.20 115.81 1sql s ILE 109 Ca 0.36 -1.71 -0.15 0.00 -0.00 0.00 0.00 60.65 59.15 1sql s ILE 109 Cb -0.22 -2.55 -0.10 0.00 -0.00 0.00 0.00 42.46 39.59 1sql s ILE 109 CO 0.24 0.00 -0.05 0.47 -0.00 0.00 0.00 174.94 175.60 1sql n ASP 110 N -1.18 1.85 -3.62 4.36 8.00 -1.26 -5.04 116.55 119.66 1sql n ASP 110 Ca 0.02 0.51 -0.03 0.00 0.71 0.00 0.00 54.79 56.00 1sql n ASP 110 Cb 0.62 -0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.35 -0.08 -0.03 1.24 -0.85 -1.26 -4.44 117.35 109.57 1sql s TYR 111 Ca -0.23 0.04 0.06 0.00 -0.52 0.00 0.00 57.07 56.42 1sql s TYR 111 Cb 0.05 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.88 1sql s TYR 111 CO 0.40 -0.13 -0.22 -0.51 -1.52 0.00 0.00 175.55 173.58 1sql s LEU 112 N -2.14 2.02 0.00 -3.49 1.43 -1.04 -4.94 118.68 110.51 1sql s LEU 112 Ca 0.11 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1sql s LEU 112 Cb -0.01 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1sql s LEU 112 CO -0.04 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1sql n GLY 113 N 2.75 1.93 3.47 -3.19 0.00 -1.26 -0.75 105.19 108.14 1sql n GLY 113 Ca -0.16 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.69 2.34 -0.22 1.61 -7.23 0.50 -4.98 120.40 109.73 1sql s VAL 114 Ca 0.00 -2.35 -0.04 0.00 -1.81 0.00 0.00 61.98 57.79 1sql s VAL 114 Cb 0.00 -2.34 0.10 0.00 0.56 0.00 0.00 36.38 34.69 1sql s VAL 114 CO 0.00 -0.38 0.20 -0.62 -0.31 0.00 0.00 175.10 173.99 1sql s ASP 115 N -3.51 1.90 0.24 4.85 3.68 -1.26 -2.10 116.67 120.47 1sql s ASP 115 Ca 0.30 -0.53 0.12 0.00 2.13 0.00 0.00 52.55 54.57 1sql s ASP 115 Cb -0.03 0.19 -0.05 0.00 -1.45 0.00 0.00 42.92 41.58 1sql s ASP 115 CO 0.14 -0.36 -0.21 0.27 0.13 0.00 0.00 175.17 175.15 1sql s ILE 116 N 2.27 2.47 -0.08 4.11 -4.36 -0.74 -4.98 121.20 119.88 1sql s ILE 116 Ca 0.07 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.23 1sql s ILE 116 Cb -0.16 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1sql s ILE 116 CO -0.18 -0.28 -0.06 0.12 0.24 0.00 0.00 174.94 174.79 1sql s PHE 117 N -2.14 1.13 0.04 1.37 5.36 -1.26 -1.18 117.98 121.31 1sql s PHE 117 Ca 0.26 -0.47 0.04 0.00 -0.96 0.00 0.00 56.93 55.81 1sql s PHE 117 Cb -0.06 -1.00 -0.02 0.00 -0.34 0.00 0.00 43.02 41.60 1sql s PHE 117 CO 0.13 -0.38 -0.12 1.03 -1.46 0.00 0.00 175.22 174.42 1sql s ARG 118 N 1.51 0.80 0.21 10.12 1.81 -0.18 -4.98 118.95 128.24 1sql s ARG 118 Ca -0.00 -0.77 -0.00 0.00 -1.72 0.00 0.00 55.73 53.24 1sql s ARG 118 Cb -0.13 -0.77 -0.04 0.00 -0.45 0.00 0.00 34.95 33.56 1sql s ARG 118 CO -0.04 0.18 0.11 -0.65 -0.68 0.00 0.00 175.30 174.22 1sql s GLN 119 N -1.29 1.22 -0.59 3.54 -0.21 -1.26 -1.02 119.66 120.05 1sql s GLN 119 Ca -0.01 -1.64 -0.26 0.00 0.02 0.00 0.00 55.36 53.47 1sql s GLN 119 Cb -0.08 0.12 0.04 0.00 1.00 0.00 0.00 33.01 34.08 1sql s GLN 119 CO 0.01 -0.34 1.09 1.03 -2.12 0.00 0.00 175.29 174.96 1sql s ARG 120 N -4.11 3.39 0.57 2.91 0.52 -1.26 -5.00 118.95 115.96 1sql s ARG 120 Ca 0.37 -0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.61 1sql s ARG 120 Cb 0.07 -4.06 0.10 0.00 0.52 0.00 0.00 34.95 31.58 1sql s ARG 120 CO 0.11 -1.66 0.78 0.09 0.02 0.00 0.00 175.30 174.64 1sql n ASN 121 N 8.12 2.00 0.00 0.23 5.03 -1.26 -5.18 115.26 124.20 1sql n ASN 121 Ca 0.05 -2.47 0.08 0.00 0.87 0.00 0.00 54.58 53.11 1sql n ASN 121 Cb 0.48 -0.42 0.50 0.00 -1.02 0.00 0.00 39.78 39.32 1sql n ASN 121 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84