#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sql n GLY 1 N 0.00 1.26 3.74 -3.96 0.00 -1.26 -4.64 105.19 100.32 1sql n GLY 1 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1sql n GLY 1 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sql s ASP 2 N -2.64 6.41 0.09 1.61 1.01 -1.26 -5.02 116.67 116.87 1sql s ASP 2 Ca 0.00 2.89 -0.25 0.00 0.71 0.00 0.00 52.55 55.89 1sql s ASP 2 Cb 0.00 -2.62 0.08 0.00 1.01 0.00 0.00 42.92 41.38 1sql s ASP 2 CO 0.00 -0.91 0.66 -1.59 0.21 0.00 0.00 175.17 173.54 1sql s LYS 3 N 0.08 1.16 0.07 8.23 -2.85 -1.26 -2.37 119.74 122.81 1sql s LYS 3 Ca 0.67 -0.29 -0.13 0.00 -1.00 0.00 0.00 55.97 55.21 1sql s LYS 3 Cb -0.48 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 35.77 1sql s LYS 3 CO 0.42 -0.48 0.45 -0.51 0.10 0.00 0.00 175.35 175.33 1sql s LEU 4 N -2.37 4.40 -0.14 2.77 1.43 -0.06 -4.90 118.68 119.81 1sql s LEU 4 Ca -0.01 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1sql s LEU 4 Cb -0.01 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1sql s LEU 4 CO -0.08 0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 175.94 1sql s ILE 5 N -1.30 1.56 -0.31 -0.59 1.09 -1.26 -1.30 121.20 119.09 1sql s ILE 5 Ca 0.31 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 59.23 1sql s ILE 5 Cb -0.15 -1.46 0.07 0.00 -1.06 0.00 0.00 42.46 39.86 1sql s ILE 5 CO 0.17 0.46 0.01 -0.76 -0.10 0.00 0.00 174.94 174.71 1sql s LEU 6 N 1.39 4.12 -0.09 2.97 1.02 -0.36 -5.02 118.68 122.71 1sql s LEU 6 Ca 0.03 -1.56 0.02 0.00 0.02 0.00 0.00 54.13 52.64 1sql s LEU 6 Cb -0.13 -1.67 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 1sql s LEU 6 CO -0.09 -0.30 -0.15 -0.75 0.02 0.00 0.00 176.35 175.08 1sql s LYS 7 N 1.14 2.91 -1.01 1.70 2.20 -1.26 -0.89 119.74 124.53 1sql s LYS 7 Ca -0.02 -0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 54.87 1sql s LYS 7 Cb -0.20 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1sql s LYS 7 CO -0.04 0.41 0.11 0.41 -0.36 0.00 0.00 175.35 175.88 1sql n GLY 8 N 2.93 -0.10 3.65 5.54 0.00 -1.14 -4.96 105.19 111.12 1sql n GLY 8 Ca -0.18 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.70 4.19 -0.23 0.99 1.02 -0.13 -4.78 118.68 116.05 1sql s LEU 9 Ca 0.05 2.20 -0.07 0.00 0.02 0.00 0.00 54.13 56.33 1sql s LEU 9 Cb -0.02 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.62 1sql s LEU 9 CO 0.07 -1.11 0.07 -0.54 0.02 0.00 0.00 176.35 174.85 1sql s LYS 10 N 4.47 3.76 0.03 1.70 1.02 -1.26 -0.14 119.74 129.32 1sql s LYS 10 Ca 0.79 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.37 1sql s LYS 10 Cb -0.34 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1sql s LYS 10 CO 0.33 -0.03 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.59 1sql s PHE 11 N 1.19 0.68 -0.07 3.18 0.08 -0.46 -4.97 117.98 117.61 1sql s PHE 11 Ca 0.04 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 1sql s PHE 11 Cb -0.14 -0.41 -0.05 0.00 -0.57 0.00 0.00 43.02 41.85 1sql s PHE 11 CO 0.03 -0.05 0.32 -0.47 -0.10 0.00 0.00 175.22 174.95 1sql s TYR 12 N -1.04 3.62 0.33 0.36 6.14 -1.26 0.21 117.35 125.71 1sql s TYR 12 Ca -0.06 0.78 -0.06 0.00 0.64 0.00 0.00 57.07 58.37 1sql s TYR 12 Cb -0.08 -2.23 0.02 0.00 0.42 0.00 0.00 41.96 40.09 1sql s TYR 12 CO 0.00 0.54 0.53 0.41 0.64 0.00 0.00 175.55 177.68 1sql n GLY 13 N 2.31 1.80 0.95 8.97 0.00 -0.36 -4.33 105.19 114.53 1sql n GLY 13 Ca -0.15 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.50 0.07 -2.01 1.61 3.01 -1.26 -1.18 117.46 117.20 1sql n PHE 14 Ca -0.02 -1.20 -0.32 0.00 1.01 0.00 0.00 57.45 56.92 1sql n PHE 14 Cb 0.53 -0.22 0.01 0.00 -0.01 0.00 0.00 39.48 39.79 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 -2.20 3.22 0.00 1.38 3.76 -1.26 -4.27 115.29 115.92 1sql s HIS 15 Ca 0.37 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 1sql s HIS 15 Cb 0.38 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 31.18 1sql s HIS 15 CO -0.10 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.31 1sql n GLY 16 N -1.59 4.32 0.10 -2.22 0.00 0.36 -4.70 105.19 101.47 1sql n GLY 16 Ca 0.08 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 0.52 -2.59 4.61 0.00 -1.85 -3.40 119.26 116.55 1sql h ALA 17 Ca 0.00 -1.31 -0.53 0.00 0.00 0.00 0.00 54.91 53.08 1sql h ALA 17 Cb 0.00 0.43 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sql h ALA 17 CO 0.00 1.37 0.64 0.42 0.00 0.00 0.00 179.25 181.68 1sql s ILE 18 N -2.60 3.48 0.16 0.00 1.09 -1.26 -4.94 121.20 117.13 1sql s ILE 18 Ca -0.10 1.14 -0.21 0.00 -1.10 0.00 0.00 60.65 60.38 1sql s ILE 18 Cb 0.07 -3.73 0.07 0.00 -1.06 0.00 0.00 42.46 37.82 1sql s ILE 18 CO 0.82 0.13 1.62 0.00 -0.10 0.00 0.00 174.94 177.41 1sql h ALA 19 N 6.10 -0.04 -0.55 9.38 0.00 -2.01 -0.22 119.26 131.93 1sql h ALA 19 Ca -0.43 0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.72 1sql h ALA 19 Cb 1.21 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1sql h ALA 19 CO 0.80 -0.64 0.38 0.93 0.00 0.00 0.00 179.25 180.73 1sql h GLU 20 N -0.19 0.16 -0.41 0.00 3.07 -1.99 -1.05 114.58 114.16 1sql h GLU 20 Ca 0.18 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1sql h GLU 20 Cb 0.47 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1sql h GLU 20 CO -0.48 0.11 -0.03 0.93 -1.40 0.00 0.00 179.01 178.14 1sql h GLU 21 N 0.17 0.75 -0.50 2.33 5.08 -1.42 0.25 114.58 121.24 1sql h GLU 21 Ca 0.26 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1sql h GLU 21 Cb 0.81 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1sql h GLU 21 CO -0.04 0.84 0.09 0.00 -1.00 0.00 0.00 179.01 178.90 1sql h ARG 22 N 0.57 0.78 0.04 2.33 2.47 -0.80 0.17 114.38 119.94 1sql h ARG 22 Ca 0.11 -0.17 -0.10 0.00 -1.26 0.00 0.00 59.98 58.57 1sql h ARG 22 Cb 0.52 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1sql h ARG 22 CO 0.03 0.73 -0.40 1.15 0.56 0.00 0.00 179.97 182.03 1sql h THR 23 N 0.75 1.58 0.19 2.04 2.02 -1.20 -3.38 112.91 114.90 1sql h THR 23 Ca 0.16 -2.22 -0.33 0.00 0.77 0.00 0.00 66.41 64.80 1sql h THR 23 Cb 0.32 3.01 0.02 0.00 -1.74 0.00 0.00 68.15 69.76 1sql h THR 23 CO 0.00 0.61 -1.52 -0.07 0.37 0.00 0.00 175.52 174.92 1sql h LEU 24 N -0.52 0.64 0.00 2.58 3.38 -0.50 -3.51 115.31 117.38 1sql h LEU 24 Ca -0.06 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1sql h LEU 24 Cb 1.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sql h LEU 24 CO 0.08 1.62 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1sql n GLY 25 N 1.71 -1.18 3.80 0.83 0.00 0.58 -5.03 105.19 105.90 1sql n GLY 25 Ca -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.71 0.16 1.61 -2.07 -0.33 -4.95 119.66 113.79 1sql s GLN 26 Ca 0.00 -0.43 -0.27 0.00 -1.82 0.00 0.00 55.36 52.84 1sql s GLN 26 Cb 0.00 0.22 -0.08 0.00 -1.09 0.00 0.00 33.01 32.06 1sql s GLN 26 CO 0.00 -0.33 0.84 -1.64 -1.32 0.00 0.00 175.29 172.84 1sql s MET 27 N -2.37 4.65 0.04 9.60 -1.94 -1.26 -1.22 119.30 126.80 1sql s MET 27 Ca 0.20 1.27 0.09 0.00 -1.71 0.00 0.00 55.69 55.54 1sql s MET 27 Cb 0.01 -3.30 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 1sql s MET 27 CO -0.00 0.47 -0.26 -0.06 -0.01 0.00 0.00 175.02 175.16 1sql s PHE 28 N -0.86 2.33 -0.13 -0.03 0.40 0.13 -4.15 117.98 115.68 1sql s PHE 28 Ca 0.39 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1sql s PHE 28 Cb -0.24 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 1sql s PHE 28 CO 0.28 0.11 -0.12 -1.17 0.70 0.00 0.00 175.22 175.02 1sql s LEU 29 N -1.19 2.77 -0.03 -0.37 2.96 0.31 -1.35 118.68 121.78 1sql s LEU 29 Ca 0.12 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1sql s LEU 29 Cb -0.10 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 1sql s LEU 29 CO 0.02 0.16 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.40 1sql s VAL 30 N 0.37 1.04 -0.06 1.68 1.01 0.81 -0.33 120.40 124.92 1sql s VAL 30 Ca -0.10 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1sql s VAL 30 Cb -0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1sql s VAL 30 CO 0.05 0.31 -0.19 -1.81 0.00 0.00 0.00 175.10 173.46 1sql s ASP 31 N 0.09 2.45 -0.04 3.32 1.01 0.49 -0.96 116.67 123.04 1sql s ASP 31 Ca -0.03 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.83 1sql s ASP 31 Cb -0.09 -0.77 0.03 0.00 1.01 0.00 0.00 42.92 43.09 1sql s ASP 31 CO 0.01 0.16 -0.01 -0.63 0.21 0.00 0.00 175.17 174.91 1sql s ILE 32 N 0.08 0.30 -0.18 0.77 1.01 -0.07 -0.35 121.20 122.76 1sql s ILE 32 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1sql s ILE 32 Cb -0.13 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1sql s ILE 32 CO 0.03 0.18 -0.14 -1.81 0.00 0.00 0.00 174.94 173.21 1sql s ASP 33 N 1.15 3.62 -0.34 3.58 -0.00 -0.48 -1.22 116.67 122.98 1sql s ASP 33 Ca -0.08 -0.52 -0.02 0.00 -0.00 0.00 0.00 52.55 51.93 1sql s ASP 33 Cb -0.14 -1.58 0.07 0.00 -0.00 0.00 0.00 42.92 41.28 1sql s ASP 33 CO -0.02 0.02 0.08 0.00 -0.00 0.00 0.00 175.17 175.25 1sql s ALA 34 N 1.21 2.95 -0.06 5.23 0.00 -0.42 -1.35 121.76 129.32 1sql s ALA 34 Ca 0.02 -2.10 -0.30 0.00 0.00 0.00 0.00 51.96 49.58 1sql s ALA 34 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1sql s ALA 34 CO -0.06 -1.50 1.35 -1.58 0.00 0.00 0.00 175.76 173.96 1sql s TRP 35 N 1.19 2.84 -0.20 0.00 0.51 -0.28 -0.88 118.94 122.12 1sql s TRP 35 Ca 0.01 0.90 -0.28 0.00 -2.12 0.00 0.00 56.10 54.61 1sql s TRP 35 Cb -0.21 -3.59 0.11 0.00 -0.81 0.00 0.00 33.47 28.97 1sql s TRP 35 CO -0.03 -2.14 0.95 0.54 -0.51 0.00 0.00 176.95 175.76 1sql s VAL 36 N 2.78 0.00 -0.01 4.03 0.11 -1.00 -0.35 120.40 125.96 1sql s VAL 36 Ca 0.61 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 1sql s VAL 36 Cb -0.28 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1sql s VAL 36 CO 0.23 0.00 1.36 -0.55 -3.33 0.00 0.00 175.10 172.81 1sql s SER 37 N -0.46 6.89 0.00 3.54 0.15 -1.26 -4.13 113.70 118.43 1sql s SER 37 Ca -0.01 2.05 0.13 0.00 0.70 0.00 0.00 55.95 58.82 1sql s SER 37 Cb -0.03 -2.56 0.19 0.00 -1.71 0.00 0.00 66.02 61.92 1sql s SER 37 CO -0.00 -0.70 1.05 0.18 1.20 0.00 0.00 173.24 174.96 1sql n LEU 38 N 5.37 2.43 -0.19 3.45 4.77 -1.26 -4.64 117.00 126.94 1sql n LEU 38 Ca 0.13 -1.34 -0.05 0.00 -0.03 0.00 0.00 56.01 54.71 1sql n LEU 38 Cb 0.44 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1sql n LEU 38 CO 0.58 0.52 1.09 0.50 -1.33 0.00 0.00 177.39 178.74 1sql h LYS 39 N 2.51 0.67 0.20 3.23 3.64 -1.95 0.21 116.57 125.07 1sql h LYS 39 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1sql h LYS 39 Cb 0.62 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1sql h LYS 39 CO 0.00 0.44 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.27 1sql h LYS 40 N 0.69 -0.31 -0.76 1.90 3.64 -1.91 -1.41 116.57 118.40 1sql h LYS 40 Ca 0.22 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1sql h LYS 40 Cb -0.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1sql h LYS 40 CO -0.08 -0.21 0.32 0.00 -2.27 0.00 0.00 179.45 177.21 1sql h ALA 41 N 0.46 0.99 0.00 5.00 0.00 -1.71 0.52 119.26 124.51 1sql h ALA 41 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sql h ALA 41 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sql h ALA 41 CO 0.02 0.59 -0.02 0.78 0.00 0.00 0.00 179.25 180.62 1sql h GLY 42 N 1.09 0.00 0.38 0.00 0.00 -0.24 0.46 103.07 104.76 1sql h GLY 42 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 1sql h GLY 42 CO -0.02 0.00 -1.74 1.18 0.00 0.00 0.00 176.54 175.95 1sql n GLU 43 N -4.28 0.65 -0.08 4.80 1.02 -0.56 -4.45 120.64 117.73 1sql n GLU 43 Ca -0.03 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1sql n GLU 43 Cb 0.10 -1.63 -0.15 0.00 -0.02 0.00 0.00 31.44 29.74 1sql n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1sql n SER 44 N -2.53 0.45 -1.80 1.62 3.41 0.11 -4.98 113.62 109.90 1sql n SER 44 Ca -0.08 0.09 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1sql n SER 44 Cb 0.70 0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 65.21 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 -2.89 -4.65 -4.29 4.04 2.03 0.16 -4.99 116.55 105.96 1sql n ASP 45 Ca -0.30 -0.03 -0.35 0.00 0.52 0.00 0.00 54.79 54.62 1sql n ASP 45 Cb 1.12 -3.75 -0.14 0.00 -0.72 0.00 0.00 41.12 37.62 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 -2.35 4.43 0.50 1.67 2.47 -1.26 -4.99 114.94 115.40 1sql s ASN 46 Ca 0.02 -0.53 0.26 0.00 0.42 0.00 0.00 52.86 53.03 1sql s ASN 46 Cb -0.01 -1.75 1.33 0.00 -1.45 0.00 0.00 41.25 39.38 1sql s ASN 46 CO 0.03 -0.07 1.90 0.25 -3.72 0.00 0.00 177.10 175.49 1sql h LEU 47 N 8.11 0.14 -2.14 3.21 7.12 -1.94 0.21 115.31 130.02 1sql h LEU 47 Ca -0.38 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.64 1sql h LEU 47 Cb 1.15 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1sql h LEU 47 CO 0.60 0.06 0.00 -0.33 -0.13 0.00 0.00 178.44 178.63 1sql h GLU 48 N 0.14 0.00 -0.01 1.25 5.08 -2.01 -1.94 114.58 117.08 1sql h GLU 48 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1sql h GLU 48 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1sql h GLU 48 CO -0.06 0.00 -0.08 -0.25 -1.00 0.00 0.00 179.01 177.61 1sql n ASP 49 N -2.90 0.91 -0.63 1.42 8.00 0.74 -4.90 116.55 119.19 1sql n ASP 49 Ca -0.01 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1sql n ASP 49 Cb 0.15 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.47 0.00 -5.10 -3.53 5.66 -0.73 -4.32 114.28 105.79 1sql n THR 50 Ca 0.17 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.87 1sql n THR 50 Cb 0.30 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.91 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 -1.03 1.85 0.05 1.09 1.09 -1.26 -4.99 121.20 117.99 1sql s ILE 51 Ca 0.00 -0.92 -0.31 0.00 -1.10 0.00 0.00 60.65 58.32 1sql s ILE 51 Cb 0.00 -1.59 -0.06 0.00 -1.06 0.00 0.00 42.46 39.75 1sql s ILE 51 CO 0.00 0.52 1.32 -0.55 -0.10 0.00 0.00 174.94 176.12 1sql s SER 52 N 0.16 6.93 0.28 3.58 0.15 -1.26 -4.89 113.70 118.65 1sql s SER 52 Ca -0.11 2.12 0.24 0.00 0.70 0.00 0.00 55.95 58.90 1sql s SER 52 Cb -0.15 -2.57 1.02 0.00 -1.71 0.00 0.00 66.02 62.60 1sql s SER 52 CO 0.05 -0.61 1.73 0.00 1.20 0.00 0.00 173.24 175.61 1sql n TYR 53 N 4.49 0.86 0.03 3.44 -0.00 -1.26 -2.13 117.16 122.60 1sql n TYR 53 Ca 0.11 0.35 -0.17 0.00 -0.00 0.00 0.00 57.90 58.19 1sql n TYR 53 Cb 0.44 -1.06 -0.07 0.00 -0.00 0.00 0.00 39.34 38.65 1sql n TYR 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1sql h VAL 54 N 0.00 1.31 -0.14 -3.48 2.07 -1.98 -0.58 116.25 113.44 1sql h VAL 54 Ca 0.00 -2.21 -0.10 0.00 0.82 0.00 0.00 66.70 65.21 1sql h VAL 54 Cb 0.35 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1sql h VAL 54 CO 0.00 0.68 -0.37 0.44 0.02 0.00 0.00 177.57 178.34 1sql h ASP 55 N 0.39 0.31 0.11 0.57 3.45 -1.82 0.21 116.42 119.64 1sql h ASP 55 Ca -0.09 -0.12 -0.19 0.00 0.43 0.00 0.00 57.03 57.06 1sql h ASP 55 Cb 1.57 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 40.25 1sql h ASP 55 CO 0.18 0.67 -0.70 0.40 -1.57 0.00 0.00 179.24 178.22 1sql h ILE 56 N 0.26 1.34 0.04 0.35 2.04 -1.39 -2.58 117.51 117.57 1sql h ILE 56 Ca 0.03 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 63.87 1sql h ILE 56 Cb 0.78 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1sql h ILE 56 CO 0.06 0.62 -0.02 0.15 0.00 0.00 0.00 178.15 178.96 1sql h PHE 57 N 0.37 -0.05 -0.61 1.37 3.57 -0.80 -2.56 116.94 118.23 1sql h PHE 57 Ca -0.03 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.55 1sql h PHE 57 Cb 1.28 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 1sql h PHE 57 CO 0.05 0.17 0.28 0.77 -2.23 0.00 0.00 178.31 177.36 1sql h SER 58 N -0.27 0.35 -0.37 0.41 0.02 -0.97 0.76 113.55 113.48 1sql h SER 58 Ca -0.01 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1sql h SER 58 Cb 0.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1sql h SER 58 CO 0.01 0.22 0.14 0.25 -1.14 0.00 0.00 176.83 176.31 1sql h LEU 59 N 0.51 0.17 -0.34 5.07 6.46 -1.41 -1.39 115.31 124.38 1sql h LEU 59 Ca 0.30 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 1sql h LEU 59 Cb 0.29 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1sql h LEU 59 CO -0.25 0.14 0.02 0.00 -0.62 0.00 0.00 178.44 177.73 1sql h ALA 60 N 1.23 0.45 -0.59 1.25 0.00 -0.91 -2.69 119.26 118.00 1sql h ALA 60 Ca 0.17 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1sql h ALA 60 Cb 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1sql h ALA 60 CO -0.16 0.19 0.29 -0.22 0.00 0.00 0.00 179.25 179.35 1sql h LYS 61 N 0.40 0.52 -0.87 0.00 3.64 -0.64 -0.40 116.57 119.21 1sql h LYS 61 Ca 0.10 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1sql h LYS 61 Cb 0.42 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1sql h LYS 61 CO 0.01 0.34 0.58 1.49 -2.27 0.00 0.00 179.45 179.60 1sql h GLU 62 N 0.53 1.14 -0.08 1.90 4.81 -1.15 0.08 114.58 121.82 1sql h GLU 62 Ca 0.28 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 1sql h GLU 62 Cb 0.24 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1sql h GLU 62 CO -0.21 0.76 -0.69 0.82 -0.73 0.00 0.00 179.01 178.95 1sql h ILE 63 N 1.18 1.34 -0.35 2.32 2.04 -1.06 -1.41 117.51 121.57 1sql h ILE 63 Ca 0.32 -1.99 -0.14 0.00 1.00 0.00 0.00 64.86 64.05 1sql h ILE 63 Cb -0.13 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1sql h ILE 63 CO -0.07 0.61 -0.36 0.58 0.00 0.00 0.00 178.15 178.91 1sql h VAL 64 N 0.23 1.28 -0.00 1.67 2.07 -0.93 -2.80 116.25 117.77 1sql h VAL 64 Ca -0.06 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1sql h VAL 64 Cb 1.35 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1sql h VAL 64 CO 0.14 0.50 -0.18 -0.62 0.02 0.00 0.00 177.57 177.43 1sql n GLU 65 N -4.06 0.33 0.00 1.57 1.02 0.00 -4.47 120.64 115.04 1sql n GLU 65 Ca -0.02 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1sql n GLU 65 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.40 1.01 3.62 0.62 0.00 -0.53 -4.87 105.19 106.44 1sql n GLY 66 Ca 0.10 -1.56 -0.59 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 0.00 1.22 -4.77 1.61 2.88 -1.26 -4.75 113.62 108.55 1sql n SER 67 Ca 0.00 1.14 -0.39 0.00 -1.33 0.00 0.00 58.87 58.28 1sql n SER 67 Cb 0.00 -1.03 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 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 1.54 4.36 0.29 -1.46 0.04 -1.26 -4.97 135.00 133.55 1sql s PRO 68 Ca 0.94 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.92 1sql s PRO 68 Cb -1.19 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1sql s PRO 68 CO 0.62 -0.06 -0.05 1.03 0.04 0.00 0.00 177.00 178.57 1sql s ARG 69 N -1.87 1.60 0.03 4.56 1.81 -1.26 -4.98 118.95 118.83 1sql s ARG 69 Ca 0.50 -1.82 -0.16 0.00 -1.72 0.00 0.00 55.73 52.53 1sql s ARG 69 Cb -0.32 -1.20 -0.33 0.00 -0.45 0.00 0.00 34.95 32.65 1sql s ARG 69 CO 0.42 0.02 1.02 -0.91 -0.68 0.00 0.00 175.30 175.17 1sql h ASN 70 N 2.22 0.82 -3.53 0.23 2.35 -1.94 0.10 115.58 115.83 1sql h ASN 70 Ca -0.40 -0.89 -0.66 0.00 -0.55 0.00 0.00 56.30 53.79 1sql h ASN 70 Cb 1.24 -0.26 -0.15 0.00 0.05 0.00 0.00 38.32 39.19 1sql h ASN 70 CO 0.68 1.65 -0.71 -0.76 -1.65 0.00 0.00 177.43 176.63 1sql s LEU 71 N -7.73 3.16 0.32 1.61 1.43 -1.26 -2.84 118.68 113.37 1sql s LEU 71 Ca -0.10 -0.28 0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1sql s LEU 71 Cb 0.04 -1.91 0.53 0.00 0.03 0.00 0.00 46.19 44.89 1sql s LEU 71 CO 0.93 0.20 1.72 -0.07 0.23 0.00 0.00 176.35 179.36 1sql h LEU 72 N 3.81 0.01 -0.78 1.79 3.38 -1.96 -2.52 115.31 119.04 1sql h LEU 72 Ca -0.48 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1sql h LEU 72 Cb 1.17 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1sql h LEU 72 CO 0.54 0.50 0.44 -0.33 0.09 0.00 0.00 178.44 179.68 1sql h GLU 73 N 0.01 0.73 -0.10 1.13 3.07 -1.94 -0.08 114.58 117.39 1sql h GLU 73 Ca -0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1sql h GLU 73 Cb 0.87 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1sql h GLU 73 CO 0.06 0.48 -0.04 1.15 -1.40 0.00 0.00 179.01 179.27 1sql h THR 74 N 0.75 1.31 -0.52 1.13 2.02 -1.87 -0.95 112.91 114.77 1sql h THR 74 Ca 0.37 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1sql h THR 74 Cb 0.33 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1sql h THR 74 CO -0.24 0.29 0.32 0.58 0.37 0.00 0.00 175.52 176.84 1sql h VAL 75 N -0.13 1.15 -0.67 3.16 2.07 -1.24 -0.43 116.25 120.16 1sql h VAL 75 Ca 0.02 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1sql h VAL 75 Cb 0.47 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1sql h VAL 75 CO 0.01 0.15 0.22 0.00 0.02 0.00 0.00 177.57 177.97 1sql h ALA 76 N 1.16 0.88 -0.51 1.67 0.00 -1.02 -1.28 119.26 120.16 1sql h ALA 76 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sql h ALA 76 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1sql h ALA 76 CO -0.04 0.55 0.15 1.49 0.00 0.00 0.00 179.25 181.40 1sql h GLU 77 N 0.98 0.76 -0.30 0.00 4.57 -0.76 -0.85 114.58 118.98 1sql h GLU 77 Ca 0.22 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1sql h GLU 77 Cb 0.28 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1sql h GLU 77 CO -0.01 0.67 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.32 1sql h LEU 78 N 0.74 0.60 -0.10 1.64 3.38 -0.55 -1.20 115.31 119.83 1sql h LEU 78 Ca 0.17 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sql h LEU 78 Cb 0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1sql h LEU 78 CO -0.01 0.85 0.06 0.40 0.09 0.00 0.00 178.44 179.84 1sql h ILE 79 N 0.35 1.03 -0.01 1.22 2.04 -0.88 0.15 117.51 121.41 1sql h ILE 79 Ca 0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1sql h ILE 79 Cb 0.60 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1sql h ILE 79 CO 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.20 1sql h ALA 80 N 1.03 -0.00 -0.26 1.87 0.00 -1.11 0.20 119.26 120.99 1sql h ALA 80 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1sql h ALA 80 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sql h ALA 80 CO -0.01 -0.51 -0.47 0.66 0.00 0.00 0.00 179.25 178.92 1sql h SER 81 N -0.01 0.74 -0.19 0.00 4.64 -1.17 -2.32 113.55 115.24 1sql h SER 81 Ca 0.01 -0.37 -0.13 0.00 -0.47 0.00 0.00 61.79 60.83 1sql h SER 81 Cb 0.03 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1sql h SER 81 CO -0.02 1.10 -0.32 0.11 -0.87 0.00 0.00 176.83 176.83 1sql h LYS 82 N 0.54 0.69 -0.01 4.77 1.79 -0.87 -0.46 116.57 123.02 1sql h LYS 82 Ca 0.03 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1sql h LYS 82 Cb 1.03 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1sql h LYS 82 CO 0.10 0.92 -0.00 1.15 -1.08 0.00 0.00 179.45 180.53 1sql h THR 83 N 0.59 1.27 -0.45 -0.16 2.02 -0.88 -1.19 112.91 114.10 1sql h THR 83 Ca 0.07 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 1sql h THR 83 Cb 0.83 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 1sql h THR 83 CO 0.07 0.21 0.08 -0.07 0.37 0.00 0.00 175.52 176.18 1sql h LEU 84 N -0.30 0.64 -0.25 2.58 3.38 -1.40 -0.37 115.31 119.58 1sql h LEU 84 Ca 0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1sql h LEU 84 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sql h LEU 84 CO 0.00 0.65 0.04 -0.08 0.09 0.00 0.00 178.44 179.14 1sql h GLU 85 N 0.66 0.42 0.00 1.13 4.81 -0.97 -3.28 114.58 117.36 1sql h GLU 85 Ca 0.15 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1sql h GLU 85 Cb 0.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1sql h GLU 85 CO 0.00 0.55 -0.73 -0.22 -0.73 0.00 0.00 179.01 177.89 1sql h LYS 86 N 0.22 0.00 -3.51 1.92 3.64 -0.99 -3.41 116.57 114.45 1sql h LYS 86 Ca 0.08 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.82 1sql h LYS 86 Cb 0.34 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.75 1sql h LYS 86 CO 0.01 0.61 -0.66 -0.06 -2.27 0.00 0.00 179.45 177.08 1sql s PHE 87 N -2.89 3.08 0.37 1.91 0.08 -0.17 -4.97 117.98 115.39 1sql s PHE 87 Ca 0.02 -3.04 0.07 0.00 0.12 0.00 0.00 56.93 54.10 1sql s PHE 87 Cb 0.08 -2.70 0.77 0.00 -0.57 0.00 0.00 43.02 40.60 1sql s PHE 87 CO 0.77 -0.78 1.96 0.45 -0.10 0.00 0.00 175.22 177.53 1sql h HIS 88 N 6.70 0.73 0.00 0.36 3.86 -1.81 -1.56 115.15 123.42 1sql h HIS 88 Ca -0.07 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1sql h HIS 88 Cb 0.91 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.14 1sql h HIS 88 CO 0.50 0.38 -0.02 1.96 0.86 0.00 0.00 177.93 181.62 1sql h GLN 89 N 0.72 0.00 -6.36 2.45 4.20 -1.93 -3.42 115.11 110.78 1sql h GLN 89 Ca 0.31 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.47 1sql h GLN 89 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1sql h GLN 89 CO -0.10 0.02 0.89 0.42 -0.67 0.00 0.00 178.83 179.38 1sql s ILE 90 N -4.19 3.65 -0.16 2.54 -1.09 -0.59 -4.71 121.20 116.65 1sql s ILE 90 Ca -0.04 1.00 0.18 0.00 -2.23 0.00 0.00 60.65 59.56 1sql s ILE 90 Cb 0.13 -3.64 -0.08 0.00 -1.58 0.00 0.00 42.46 37.28 1sql s ILE 90 CO 0.48 -0.02 0.93 0.78 -1.23 0.00 0.00 174.94 175.88 1sql h ASN 91 N 8.12 0.00 -3.84 3.58 2.35 -0.95 -3.44 115.58 121.40 1sql h ASN 91 Ca -0.38 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.53 1sql h ASN 91 Cb 1.18 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.31 1sql h ASN 91 CO 0.92 0.43 0.71 0.00 -1.65 0.00 0.00 177.43 177.83 1sql s ALA 92 N -3.04 -2.01 0.02 -0.83 0.00 -1.22 -2.37 121.76 112.33 1sql s ALA 92 Ca -0.02 1.66 0.02 0.00 0.00 0.00 0.00 51.96 53.63 1sql s ALA 92 Cb 0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1sql s ALA 92 CO 0.80 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 176.22 1sql s VAL 93 N -1.35 0.60 -0.18 0.00 1.01 0.25 -1.13 120.40 119.60 1sql s VAL 93 Ca 0.03 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1sql s VAL 93 Cb -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1sql s VAL 93 CO -0.03 -0.10 -0.20 -0.60 0.00 0.00 0.00 175.10 174.17 1sql s ARG 94 N -0.89 2.99 -0.18 2.72 3.52 -0.46 0.27 118.95 126.93 1sql s ARG 94 Ca -0.03 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1sql s ARG 94 Cb -0.06 -2.57 -0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1sql s ARG 94 CO 0.00 -0.20 -0.11 0.08 -0.81 0.00 0.00 175.30 174.26 1sql s VAL 95 N 1.27 2.96 -0.35 7.11 1.01 -0.12 -1.38 120.40 130.90 1sql s VAL 95 Ca 0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1sql s VAL 95 Cb -0.13 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.04 1sql s VAL 95 CO -0.12 0.49 0.09 -0.54 0.00 0.00 0.00 175.10 175.01 1sql s LYS 96 N 1.00 2.09 -0.18 2.72 1.02 0.53 -1.52 119.74 125.40 1sql s LYS 96 Ca -0.01 -1.60 -0.03 0.00 0.02 0.00 0.00 55.97 54.35 1sql s LYS 96 Cb -0.15 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1sql s LYS 96 CO -0.02 -0.86 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.33 1sql s LEU 97 N 1.14 3.00 0.06 3.17 0.20 -1.01 -0.38 118.68 124.86 1sql s LEU 97 Ca 0.03 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 1sql s LEU 97 Cb -0.21 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1sql s LEU 97 CO -0.04 0.08 0.08 -0.44 -0.29 0.00 0.00 176.35 175.74 1sql s SER 98 N 0.90 0.28 -0.30 3.68 0.01 0.55 -1.05 113.70 117.76 1sql s SER 98 Ca -0.01 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.39 1sql s SER 98 Cb -0.15 0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 1sql s SER 98 CO 0.01 -0.62 0.18 -0.54 0.41 0.00 0.00 173.24 172.68 1sql s LYS 99 N -3.55 3.65 0.30 12.44 1.02 0.01 -0.53 119.74 133.09 1sql s LYS 99 Ca 0.03 -0.51 0.16 0.00 0.02 0.00 0.00 55.97 55.67 1sql s LYS 99 Cb 0.04 -3.63 0.23 0.00 -0.52 0.00 0.00 37.83 33.96 1sql s LYS 99 CO -0.09 -0.30 1.52 -1.35 -0.92 0.00 0.00 175.35 174.21 1sql h PRO 100 N 8.38 0.00 -3.13 -1.68 0.11 -1.80 -2.60 132.00 131.28 1sql h PRO 100 Ca -0.34 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.15 1sql h PRO 100 Cb 1.17 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 1sql h PRO 100 CO 0.59 0.48 -0.70 -0.80 -0.21 0.00 0.00 178.00 177.36 1sql s ASN 101 N -6.45 3.89 -0.03 -2.05 0.01 -1.26 -4.61 114.94 104.45 1sql s ASN 101 Ca 0.03 -2.78 -0.28 0.00 -0.71 0.00 0.00 52.86 49.11 1sql s ASN 101 Cb 0.08 -1.26 -0.03 0.00 0.41 0.00 0.00 41.25 40.46 1sql s ASN 101 CO 0.73 -0.25 0.92 -0.69 -1.51 0.00 0.00 177.10 176.30 1sql s VAL 102 N 0.10 4.90 0.40 1.60 1.01 -1.26 -4.97 120.40 122.18 1sql s VAL 102 Ca 0.18 1.91 -0.27 0.00 0.00 0.00 0.00 61.98 63.80 1sql s VAL 102 Cb -0.24 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1sql s VAL 102 CO -0.00 0.16 1.37 0.00 0.00 0.00 0.00 175.10 176.63 1sql s ALA 103 N 1.10 3.34 -1.07 5.51 0.00 -1.26 -3.29 121.76 126.09 1sql s ALA 103 Ca 0.48 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1sql s ALA 103 Cb -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1sql s ALA 103 CO 0.24 -0.94 0.00 1.28 0.00 0.00 0.00 175.76 176.34 1sql n LEU 104 N 0.18 -0.48 -4.37 0.00 4.77 -1.26 -4.97 117.00 110.87 1sql n LEU 104 Ca 0.03 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.88 1sql n LEU 104 Cb 0.42 -2.14 -0.12 0.00 -2.33 0.00 0.00 43.42 39.25 1sql n LEU 104 CO 0.58 -0.78 -0.23 -0.63 -1.33 0.00 0.00 177.39 175.01 1sql s ILE 105 N -2.12 4.24 0.18 -0.08 1.01 -1.21 -4.99 121.20 118.23 1sql s ILE 105 Ca 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1sql s ILE 105 Cb 0.00 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.10 1sql s ILE 105 CO 0.00 -0.02 1.43 0.11 0.00 0.00 0.00 174.94 176.46 1sql h LYS 106 N 8.30 0.00 -7.33 2.79 6.56 -1.93 -3.47 116.57 121.50 1sql h LYS 106 Ca -0.29 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 58.81 1sql h LYS 106 Cb 1.12 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 32.85 1sql h LYS 106 CO 0.62 0.83 0.31 -1.54 -2.06 0.00 0.00 179.45 177.61 1sql s SER 107 N -6.76 5.41 0.31 0.86 1.04 -1.26 -5.05 113.70 108.24 1sql s SER 107 Ca 0.00 0.90 -0.21 0.00 0.48 0.00 0.00 55.95 57.12 1sql s SER 107 Cb 0.11 -1.75 -0.09 0.00 0.10 0.00 0.00 66.02 64.39 1sql s SER 107 CO 0.79 -1.28 0.84 -0.89 0.98 0.00 0.00 173.24 173.69 1sql s THR 108 N -3.22 4.43 0.24 2.02 2.01 -1.26 -5.08 115.64 114.79 1sql s THR 108 Ca 0.57 1.44 -0.17 0.00 0.31 0.00 0.00 61.69 63.84 1sql s THR 108 Cb -0.11 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1sql s THR 108 CO 0.48 0.01 0.58 0.27 -0.69 0.00 0.00 174.62 175.28 1sql s ILE 109 N -1.76 0.01 -0.12 1.82 -4.36 -1.26 -5.07 121.20 110.45 1sql s ILE 109 Ca 0.51 -1.06 -0.06 0.00 -0.26 0.00 0.00 60.65 59.77 1sql s ILE 109 Cb -0.15 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1sql s ILE 109 CO 0.20 -0.03 0.02 0.44 0.24 0.00 0.00 174.94 175.80 1sql h ASP 110 N 2.14 0.00 -4.74 4.36 3.32 -1.96 -3.50 116.42 116.05 1sql h ASP 110 Ca -0.24 -0.11 0.29 0.00 0.02 0.00 0.00 57.03 56.99 1sql h ASP 110 Cb 1.25 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.64 1sql h ASP 110 CO 0.31 0.67 0.85 -0.72 -1.72 0.00 0.00 179.24 178.63 1sql s TYR 111 N -1.87 -0.08 -0.02 4.55 -0.85 -1.26 -4.55 117.35 113.27 1sql s TYR 111 Ca -0.08 0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.56 1sql s TYR 111 Cb 0.01 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1sql s TYR 111 CO 0.16 -0.19 -0.22 -0.51 -1.52 0.00 0.00 175.55 173.26 1sql s LEU 112 N -2.43 2.04 0.00 -3.49 1.43 -0.98 -4.96 118.68 110.29 1sql s LEU 112 Ca 0.11 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1sql s LEU 112 Cb 0.01 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1sql s LEU 112 CO -0.04 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1sql n GLY 113 N 2.61 1.70 3.59 -3.19 0.00 -1.26 -0.81 105.19 107.82 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 -2.56 2.16 -0.28 1.61 -7.23 -0.22 -4.99 120.40 108.89 1sql s VAL 114 Ca 0.00 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1sql s VAL 114 Cb 0.00 -2.81 0.16 0.00 0.56 0.00 0.00 36.38 34.28 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 0.29 0.12 4.85 3.68 -1.26 -2.41 116.67 118.28 1sql s ASP 115 Ca 0.34 -0.25 0.09 0.00 2.13 0.00 0.00 52.55 54.87 1sql s ASP 115 Cb 0.06 1.14 -0.04 0.00 -1.45 0.00 0.00 42.92 42.63 1sql s ASP 115 CO 0.17 -0.34 -0.20 0.27 0.13 0.00 0.00 175.17 175.21 1sql s ILE 116 N 2.56 2.73 -0.11 4.11 -0.00 -0.58 -4.98 121.20 124.93 1sql s ILE 116 Ca 0.10 -1.57 0.04 0.00 -0.00 0.00 0.00 60.65 59.22 1sql s ILE 116 Cb -0.13 -2.25 0.00 0.00 -0.00 0.00 0.00 42.46 40.08 1sql s ILE 116 CO -0.28 0.08 -0.24 0.12 -0.00 0.00 0.00 174.94 174.63 1sql s PHE 117 N -1.16 2.58 -0.08 1.37 5.36 -1.26 -0.95 117.98 123.84 1sql s PHE 117 Ca 0.18 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.03 1sql s PHE 117 Cb -0.10 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.87 1sql s PHE 117 CO 0.10 -0.46 -0.03 1.03 -1.46 0.00 0.00 175.22 174.39 1sql s ARG 118 N 0.44 0.93 0.08 10.12 1.81 0.14 -4.97 118.95 127.50 1sql s ARG 118 Ca -0.16 -0.04 0.01 0.00 -1.72 0.00 0.00 55.73 53.82 1sql s ARG 118 Cb -0.17 -1.14 -0.04 0.00 -0.45 0.00 0.00 34.95 33.15 1sql s ARG 118 CO 0.07 -0.25 0.18 -1.14 -0.68 0.00 0.00 175.30 173.48 1sql s GLN 119 N 1.70 3.27 0.59 3.54 0.74 -1.26 0.85 119.66 129.09 1sql s GLN 119 Ca 0.02 -0.55 -0.15 0.00 0.05 0.00 0.00 55.36 54.73 1sql s GLN 119 Cb -0.13 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1sql s GLN 119 CO -0.05 0.58 1.05 -0.98 -0.55 0.00 0.00 175.29 175.34 1sql s ARG 120 N -2.61 3.35 0.00 1.67 1.70 -1.00 -4.96 118.95 117.10 1sql s ARG 120 Ca 0.33 1.16 0.18 0.00 -0.47 0.00 0.00 55.73 56.93 1sql s ARG 120 Cb -0.12 -2.04 0.14 0.00 -0.57 0.00 0.00 34.95 32.36 1sql s ARG 120 CO 0.26 -0.78 1.06 0.09 -1.08 0.00 0.00 175.30 174.85