#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 3.57 -0.03 1.61 1.01 -1.26 -4.89 116.67 116.68 1sql s ASP 2 Ca 0.00 2.20 -0.14 0.00 0.71 0.00 0.00 52.55 55.32 1sql s ASP 2 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1sql s ASP 2 CO 0.00 -2.68 0.30 -1.59 0.21 0.00 0.00 175.17 171.42 1sql s LYS 3 N -4.43 0.62 -0.06 8.23 -2.85 -1.26 -2.04 119.74 117.95 1sql s LYS 3 Ca 0.69 -0.11 -0.16 0.00 -1.00 0.00 0.00 55.97 55.39 1sql s LYS 3 Cb -0.24 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 1sql s LYS 3 CO 0.53 -0.16 0.43 -0.51 0.10 0.00 0.00 175.35 175.75 1sql s LEU 4 N -1.11 4.37 -0.10 2.77 1.02 0.56 -4.91 118.68 121.28 1sql s LEU 4 Ca -0.12 0.87 0.03 0.00 0.02 0.00 0.00 54.13 54.94 1sql s LEU 4 Cb -0.05 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.54 1sql s LEU 4 CO 0.04 0.17 -0.21 -0.63 0.02 0.00 0.00 176.35 175.73 1sql s ILE 5 N -0.22 1.83 -0.27 -0.59 1.01 -1.26 -0.72 121.20 120.98 1sql s ILE 5 Ca 0.24 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1sql s ILE 5 Cb -0.16 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.78 1sql s ILE 5 CO 0.11 0.51 -0.01 -0.76 0.00 0.00 0.00 174.94 174.79 1sql s LEU 6 N 0.49 2.99 -0.13 2.97 1.02 -0.34 -5.02 118.68 120.67 1sql s LEU 6 Ca -0.16 -1.45 -0.04 0.00 0.02 0.00 0.00 54.13 52.50 1sql s LEU 6 Cb -0.17 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.77 1sql s LEU 6 CO 0.06 -0.29 0.00 -0.75 0.02 0.00 0.00 176.35 175.40 1sql s LYS 7 N 1.32 3.39 -1.33 1.70 2.47 -1.26 -0.58 119.74 125.45 1sql s LYS 7 Ca -0.00 -0.42 -0.05 0.00 -1.56 0.00 0.00 55.97 53.93 1sql s LYS 7 Cb -0.19 -2.92 -0.00 0.00 -1.46 0.00 0.00 37.83 33.27 1sql s LYS 7 CO -0.09 0.48 0.54 0.41 0.16 0.00 0.00 175.35 176.85 1sql n GLY 8 N 2.82 -0.40 3.72 5.54 0.00 -1.18 -4.93 105.19 110.76 1sql n GLY 8 Ca -0.18 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -6.82 4.39 -0.28 0.99 1.43 0.68 -4.81 118.68 114.26 1sql s LEU 9 Ca 0.11 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.19 1sql s LEU 9 Cb -0.04 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.61 1sql s LEU 9 CO 0.87 -0.42 0.04 -0.54 0.23 0.00 0.00 176.35 176.54 1sql s LYS 10 N 0.73 3.06 0.03 1.70 -0.14 -1.26 -0.96 119.74 122.90 1sql s LYS 10 Ca 0.57 -0.87 0.05 0.00 -1.36 0.00 0.00 55.97 54.35 1sql s LYS 10 Cb -0.29 -3.26 -0.02 0.00 -1.68 0.00 0.00 37.83 32.57 1sql s LYS 10 CO 0.31 -0.42 -0.14 -0.06 -0.76 0.00 0.00 175.35 174.28 1sql s PHE 11 N 1.46 1.20 -0.17 3.18 0.08 -0.87 -4.97 117.98 117.88 1sql s PHE 11 Ca 0.02 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 1sql s PHE 11 Cb -0.17 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1sql s PHE 11 CO 0.01 0.02 0.38 -0.47 -0.10 0.00 0.00 175.22 175.06 1sql s TYR 12 N -0.71 3.43 0.24 0.36 6.14 -1.26 0.42 117.35 125.98 1sql s TYR 12 Ca 0.02 0.67 0.05 0.00 0.64 0.00 0.00 57.07 58.45 1sql s TYR 12 Cb -0.07 -2.47 -0.02 0.00 0.42 0.00 0.00 41.96 39.82 1sql s TYR 12 CO 0.01 0.11 0.22 0.41 0.64 0.00 0.00 175.55 176.94 1sql n GLY 13 N 3.60 3.12 0.93 8.97 0.00 0.09 -4.39 105.19 117.52 1sql n GLY 13 Ca -0.09 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.45 0.00 -2.52 1.61 3.01 -1.26 -0.84 117.46 117.01 1sql n PHE 14 Ca 0.05 -0.91 -0.37 0.00 1.01 0.00 0.00 57.45 57.23 1sql n PHE 14 Cb 0.43 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.57 3.28 0.00 1.38 3.76 -1.26 -3.97 115.29 116.91 1sql s HIS 15 Ca 0.33 1.64 0.00 0.00 -0.15 0.00 0.00 55.06 56.88 1sql s HIS 15 Cb 0.34 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1sql s HIS 15 CO -0.10 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 173.54 1sql n GLY 16 N 0.43 2.38 0.07 -2.22 0.00 0.01 -4.78 105.19 101.09 1sql n GLY 16 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.10 2.05 -2.71 4.61 0.00 -1.22 -4.20 120.51 117.95 1sql n ALA 17 Ca 0.00 -0.77 -0.40 0.00 0.00 0.00 0.00 53.44 52.27 1sql n ALA 17 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.97 4.98 0.44 0.00 -1.09 -1.26 -4.95 121.20 116.36 1sql s ILE 18 Ca -0.06 1.61 0.16 0.00 -2.23 0.00 0.00 60.65 60.12 1sql s ILE 18 Cb 0.09 -4.12 0.35 0.00 -1.58 0.00 0.00 42.46 37.20 1sql s ILE 18 CO 0.84 0.19 1.96 0.00 -1.23 0.00 0.00 174.94 176.70 1sql h ALA 19 N 6.88 2.11 -0.59 9.38 0.00 -2.00 0.33 119.26 135.37 1sql h ALA 19 Ca -0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1sql h ALA 19 Cb 1.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1sql h ALA 19 CO 0.77 -0.27 0.29 0.93 0.00 0.00 0.00 179.25 180.97 1sql h GLU 20 N 0.37 0.82 -0.55 0.00 4.39 -1.99 -1.81 114.58 115.80 1sql h GLU 20 Ca 0.31 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 1sql h GLU 20 Cb 0.72 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1sql h GLU 20 CO -0.09 0.63 -0.01 0.93 -1.16 0.00 0.00 179.01 179.30 1sql h GLU 21 N 0.82 0.98 0.00 2.33 5.08 -1.31 0.13 114.58 122.62 1sql h GLU 21 Ca 0.21 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1sql h GLU 21 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sql h GLU 21 CO -0.03 0.99 -0.25 0.00 -1.00 0.00 0.00 179.01 178.72 1sql h ARG 22 N 0.86 0.00 0.01 2.33 2.47 -1.12 0.12 114.38 119.05 1sql h ARG 22 Ca 0.15 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.80 1sql h ARG 22 Cb 0.56 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1sql h ARG 22 CO 0.03 0.25 -0.39 1.15 0.56 0.00 0.00 179.97 181.57 1sql h THR 23 N 0.00 1.54 0.11 2.04 2.02 -0.97 -3.41 112.91 114.25 1sql h THR 23 Ca -0.00 -2.32 -0.15 0.00 0.77 0.00 0.00 66.41 64.71 1sql h THR 23 Cb 0.46 3.08 0.02 0.00 -1.74 0.00 0.00 68.15 69.96 1sql h THR 23 CO 0.03 0.54 -0.66 -0.07 0.37 0.00 0.00 175.52 175.74 1sql h LEU 24 N -0.95 0.38 0.00 2.58 3.38 -0.75 -3.51 115.31 116.45 1sql h LEU 24 Ca -0.10 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 56.91 1sql h LEU 24 Cb 1.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sql h LEU 24 CO -0.04 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1sql n GLY 25 N 1.65 -2.90 3.69 0.83 0.00 0.43 -5.02 105.19 103.88 1sql n GLY 25 Ca -0.13 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.89 0.62 0.23 1.61 -2.07 -0.02 -4.97 119.66 114.18 1sql s GLN 26 Ca 0.00 -0.35 -0.20 0.00 -1.82 0.00 0.00 55.36 52.98 1sql s GLN 26 Cb 0.00 0.21 -0.08 0.00 -1.09 0.00 0.00 33.01 32.04 1sql s GLN 26 CO 0.00 -0.29 0.74 -1.64 -1.32 0.00 0.00 175.29 172.79 1sql s MET 27 N -2.57 4.29 0.07 9.60 -1.94 -1.26 -0.73 119.30 126.75 1sql s MET 27 Ca 0.15 0.91 0.08 0.00 -1.71 0.00 0.00 55.69 55.13 1sql s MET 27 Cb 0.03 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.95 1sql s MET 27 CO -0.02 0.39 -0.23 -0.06 -0.01 0.00 0.00 175.02 175.10 1sql s PHE 28 N -1.52 1.99 -0.16 -0.03 0.40 0.17 -4.34 117.98 114.49 1sql s PHE 28 Ca 0.43 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1sql s PHE 28 Cb -0.17 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 1sql s PHE 28 CO 0.21 0.15 -0.07 -1.17 0.70 0.00 0.00 175.22 175.04 1sql s LEU 29 N -1.43 3.01 -0.07 -0.37 0.20 -0.01 -2.05 118.68 117.95 1sql s LEU 29 Ca 0.09 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.69 1sql s LEU 29 Cb -0.09 -1.72 0.01 0.00 -0.43 0.00 0.00 46.19 43.96 1sql s LEU 29 CO 0.03 0.14 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.42 1sql s VAL 30 N 0.54 1.12 -0.05 1.68 1.01 -0.13 -0.72 120.40 123.85 1sql s VAL 30 Ca -0.05 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1sql s VAL 30 Cb -0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1sql s VAL 30 CO 0.03 0.35 -0.25 -1.81 0.00 0.00 0.00 175.10 173.43 1sql s ASP 31 N 0.70 2.99 -0.03 3.32 1.01 0.00 -0.23 116.67 124.43 1sql s ASP 31 Ca -0.14 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.64 1sql s ASP 31 Cb -0.16 -0.74 0.02 0.00 1.01 0.00 0.00 42.92 43.06 1sql s ASP 31 CO 0.03 0.25 -0.02 -0.63 0.21 0.00 0.00 175.17 175.01 1sql s ILE 32 N -0.22 0.31 -0.24 0.77 1.01 0.26 -0.50 121.20 122.58 1sql s ILE 32 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1sql s ILE 32 Cb -0.13 -0.35 0.05 0.00 0.01 0.00 0.00 42.46 42.04 1sql s ILE 32 CO 0.03 0.15 -0.12 -1.81 0.00 0.00 0.00 174.94 173.19 1sql s ASP 33 N 0.72 4.15 -0.29 3.58 -0.00 -0.33 -1.20 116.67 123.30 1sql s ASP 33 Ca -0.08 -1.24 -0.11 0.00 -0.00 0.00 0.00 52.55 51.13 1sql s ASP 33 Cb -0.11 -1.51 -0.04 0.00 -0.00 0.00 0.00 42.92 41.26 1sql s ASP 33 CO -0.01 -0.16 0.18 0.00 -0.00 0.00 0.00 175.17 175.19 1sql s ALA 34 N 1.16 3.46 -0.30 5.23 0.00 0.10 -1.03 121.76 130.38 1sql s ALA 34 Ca -0.06 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 1sql s ALA 34 Cb -0.19 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.49 1sql s ALA 34 CO -0.07 -0.65 1.18 -1.58 0.00 0.00 0.00 175.76 174.65 1sql s TRP 35 N 1.72 2.93 -0.23 0.00 0.51 0.68 -0.33 118.94 124.23 1sql s TRP 35 Ca 0.07 1.04 -0.26 0.00 -2.12 0.00 0.00 56.10 54.83 1sql s TRP 35 Cb -0.16 -3.76 0.09 0.00 -0.81 0.00 0.00 33.47 28.82 1sql s TRP 35 CO 0.10 -1.24 0.80 0.54 -0.51 0.00 0.00 176.95 176.64 1sql s VAL 36 N 3.93 0.00 -0.05 4.03 0.11 -0.87 -0.28 120.40 127.28 1sql s VAL 36 Ca 0.51 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 1sql s VAL 36 Cb -0.15 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1sql s VAL 36 CO 0.18 0.00 1.57 -0.55 -3.33 0.00 0.00 175.10 172.97 1sql s SER 37 N 0.01 6.72 0.00 3.54 0.15 -1.26 -4.07 113.70 118.79 1sql s SER 37 Ca -0.01 2.17 0.19 0.00 0.70 0.00 0.00 55.95 59.00 1sql s SER 37 Cb -0.04 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1sql s SER 37 CO 0.01 -0.87 1.07 0.18 1.20 0.00 0.00 173.24 174.83 1sql n LEU 38 N 6.64 2.47 -0.03 3.45 4.77 -1.26 -4.57 117.00 128.47 1sql n LEU 38 Ca 0.16 -0.97 -0.09 0.00 -0.03 0.00 0.00 56.01 55.08 1sql n LEU 38 Cb 0.43 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1sql n LEU 38 CO 0.61 0.43 0.84 0.50 -1.33 0.00 0.00 177.39 178.44 1sql h LYS 39 N 3.48 0.01 -0.12 3.23 3.64 -1.95 0.37 116.57 125.24 1sql h LYS 39 Ca 0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1sql h LYS 39 Cb 0.76 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1sql h LYS 39 CO 0.00 0.01 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.79 1sql h LYS 40 N 0.01 0.19 0.02 1.90 3.64 -1.89 -2.51 116.57 117.93 1sql h LYS 40 Ca 0.08 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 1sql h LYS 40 Cb 0.11 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1sql h LYS 40 CO -0.16 0.37 -0.94 0.00 -2.27 0.00 0.00 179.45 176.45 1sql h ALA 41 N 1.64 0.46 0.00 5.00 0.00 -1.62 -2.50 119.26 122.24 1sql h ALA 41 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1sql h ALA 41 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sql h ALA 41 CO 0.03 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.70 1sql n GLY 42 N 1.04 -1.23 0.09 0.00 0.00 0.09 -0.39 105.19 104.78 1sql n GLY 42 Ca -0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1sql n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sql n GLU 43 N -1.85 1.16 0.02 1.61 1.02 -1.01 -4.56 120.64 117.03 1sql n GLU 43 Ca 0.04 -0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 1sql n GLU 43 Cb 0.24 -1.44 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.65 0.30 -2.43 1.62 3.41 -0.95 -4.96 113.62 107.95 1sql n SER 44 Ca -0.28 -0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.15 1sql n SER 44 Cb 1.06 1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 66.51 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 -2.26 -4.65 -4.30 4.04 2.03 0.48 -4.95 116.55 106.93 1sql n ASP 45 Ca -0.02 0.12 -0.36 0.00 0.52 0.00 0.00 54.79 55.05 1sql n ASP 45 Cb 0.54 -3.91 -0.14 0.00 -0.72 0.00 0.00 41.12 36.89 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 -2.04 4.62 0.38 1.67 3.84 -1.25 -5.00 114.94 117.16 1sql s ASN 46 Ca 0.00 -0.59 0.20 0.00 0.21 0.00 0.00 52.86 52.68 1sql s ASN 46 Cb 0.00 -1.78 1.18 0.00 -0.55 0.00 0.00 41.25 40.10 1sql s ASN 46 CO 0.00 -0.10 1.69 0.25 -2.79 0.00 0.00 177.10 176.15 1sql h LEU 47 N 8.13 0.43 -2.51 3.21 6.46 -1.92 0.14 115.31 129.25 1sql h LEU 47 Ca -0.36 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1sql h LEU 47 Cb 1.14 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1sql h LEU 47 CO 0.59 -0.07 -0.01 -0.33 -0.62 0.00 0.00 178.44 178.00 1sql h GLU 48 N 0.29 0.00 -0.12 1.25 5.08 -2.00 -1.35 114.58 117.73 1sql h GLU 48 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1sql h GLU 48 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1sql h GLU 48 CO -0.46 0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 177.31 1sql n ASP 49 N -3.17 0.89 -1.64 1.42 8.00 0.48 -4.85 116.55 117.68 1sql n ASP 49 Ca -0.02 -1.75 -0.05 0.00 0.71 0.00 0.00 54.79 53.68 1sql n ASP 49 Cb 0.14 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.12 0.00 -4.73 -3.53 5.66 -0.51 -4.10 114.28 106.95 1sql n THR 50 Ca 0.11 -0.66 -0.33 0.00 -3.05 0.00 0.00 64.05 60.12 1sql n THR 50 Cb 0.18 0.35 -0.15 0.00 -1.55 0.00 0.00 70.33 69.15 1sql n THR 50 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1sql s ILE 51 N -2.44 2.66 0.08 1.09 1.10 -1.26 -4.99 121.20 117.44 1sql s ILE 51 Ca 0.11 -0.79 -0.31 0.00 -0.51 0.00 0.00 60.65 59.15 1sql s ILE 51 Cb 0.00 -2.10 -0.08 0.00 0.15 0.00 0.00 42.46 40.43 1sql s ILE 51 CO 0.08 0.53 1.61 -0.55 -2.11 0.00 0.00 174.94 174.50 1sql s SER 52 N 0.59 6.63 0.32 4.50 0.15 -1.26 -4.87 113.70 119.75 1sql s SER 52 Ca -0.09 2.47 0.25 0.00 0.70 0.00 0.00 55.95 59.28 1sql s SER 52 Cb -0.16 -2.57 1.09 0.00 -1.71 0.00 0.00 66.02 62.68 1sql s SER 52 CO 0.03 -0.86 1.76 0.10 1.20 0.00 0.00 173.24 175.47 1sql h TYR 53 N 8.03 0.00 -0.37 3.44 -0.00 -1.99 -1.47 116.97 124.61 1sql h TYR 53 Ca -0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.16 1sql h TYR 53 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.92 1sql h TYR 53 CO 0.75 0.00 -0.37 0.28 -0.00 0.00 0.00 178.16 178.83 1sql h VAL 54 N 0.00 1.28 -0.47 -0.90 2.07 -1.98 0.21 116.25 116.45 1sql h VAL 54 Ca 0.00 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.86 1sql h VAL 54 Cb 0.33 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1sql h VAL 54 CO 0.00 0.51 -0.18 0.44 0.02 0.00 0.00 177.57 178.36 1sql h ASP 55 N 0.71 0.94 -0.26 0.57 3.32 -1.66 -0.29 116.42 119.75 1sql h ASP 55 Ca 0.06 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 1sql h ASP 55 Cb 0.94 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1sql h ASP 55 CO 0.09 1.10 -0.07 0.40 -1.72 0.00 0.00 179.24 179.04 1sql h ILE 56 N 0.81 1.28 -0.46 0.35 2.04 -1.32 -2.31 117.51 117.90 1sql h ILE 56 Ca 0.12 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 64.95 1sql h ILE 56 Cb 0.73 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1sql h ILE 56 CO 0.06 0.34 0.15 0.15 0.00 0.00 0.00 178.15 178.85 1sql h PHE 57 N 0.25 0.26 0.00 1.37 3.57 -0.34 -2.02 116.94 120.04 1sql h PHE 57 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1sql h PHE 57 Cb 0.54 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1sql h PHE 57 CO 0.05 0.08 -0.26 0.66 -2.23 0.00 0.00 178.31 176.61 1sql h SER 58 N 0.31 0.00 -0.03 0.41 4.64 -0.95 -0.87 113.55 117.07 1sql h SER 58 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1sql h SER 58 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1sql h SER 58 CO -0.24 0.26 -0.05 0.25 -0.87 0.00 0.00 176.83 176.18 1sql h LEU 59 N 0.00 0.09 -0.34 5.97 5.85 -0.83 -1.64 115.31 124.40 1sql h LEU 59 Ca -0.00 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1sql h LEU 59 Cb 0.66 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1sql h LEU 59 CO 0.03 0.65 0.20 0.00 -0.34 0.00 0.00 178.44 178.98 1sql h ALA 60 N 0.44 0.44 -0.34 1.25 0.00 -1.27 -1.48 119.26 118.31 1sql h ALA 60 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sql h ALA 60 Cb 0.64 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1sql h ALA 60 CO 0.01 -0.04 0.04 -0.22 0.00 0.00 0.00 179.25 179.05 1sql h LYS 61 N 0.44 0.15 -0.30 0.00 3.64 -1.19 -0.32 116.57 118.99 1sql h LYS 61 Ca 0.12 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1sql h LYS 61 Cb 0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1sql h LYS 61 CO -0.02 0.10 0.04 1.05 -2.27 0.00 0.00 179.45 178.34 1sql h GLU 62 N 0.15 0.45 -0.02 1.90 4.11 -0.92 -1.86 114.58 118.40 1sql h GLU 62 Ca 0.16 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 1sql h GLU 62 Cb 0.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1sql h GLU 62 CO -0.23 0.45 -0.08 0.82 0.07 0.00 0.00 179.01 180.04 1sql h ILE 63 N 0.44 1.51 -0.29 -1.06 2.04 -0.49 -2.18 117.51 117.48 1sql h ILE 63 Ca 0.10 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.29 1sql h ILE 63 Cb 0.23 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 1sql h ILE 63 CO 0.00 0.43 -0.05 0.58 0.00 0.00 0.00 178.15 179.12 1sql h VAL 64 N -0.55 1.20 -0.01 1.67 2.07 -0.99 -1.88 116.25 117.75 1sql h VAL 64 Ca -0.01 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1sql h VAL 64 Cb 0.74 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1sql h VAL 64 CO 0.02 0.27 -0.04 -0.62 0.02 0.00 0.00 177.57 177.22 1sql n GLU 65 N -4.27 1.55 0.00 1.57 1.02 -0.71 -4.40 120.64 115.39 1sql n GLU 65 Ca 0.01 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1sql n GLU 65 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.21 0.12 3.68 0.62 0.00 -0.71 -4.88 105.19 105.22 1sql n GLY 66 Ca 0.18 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 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 3.35 -4.74 1.61 2.88 -1.26 -4.76 113.62 110.70 1sql n SER 67 Ca 0.00 1.05 -0.42 0.00 -1.33 0.00 0.00 58.87 58.18 1sql n SER 67 Cb 0.00 -1.45 -0.02 0.00 -0.75 0.00 0.00 64.21 61.99 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 1.62 4.18 0.32 -1.46 0.04 -1.26 -4.96 135.00 133.48 1sql s PRO 68 Ca 0.81 2.47 0.10 0.00 0.04 0.00 0.00 61.00 64.41 1sql s PRO 68 Cb -0.64 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1sql s PRO 68 CO 0.39 -0.60 -0.05 1.03 0.04 0.00 0.00 177.00 177.81 1sql s ARG 69 N 0.26 1.96 -0.04 4.56 1.81 -1.26 -4.98 118.95 121.26 1sql s ARG 69 Ca 0.66 -1.77 -0.25 0.00 -1.72 0.00 0.00 55.73 52.65 1sql s ARG 69 Cb -0.46 -1.87 -0.21 0.00 -0.45 0.00 0.00 34.95 31.96 1sql s ARG 69 CO 0.40 0.19 1.13 -0.91 -0.68 0.00 0.00 175.30 175.43 1sql h ASN 70 N 1.95 0.13 -3.37 0.23 2.35 -1.96 0.06 115.58 114.98 1sql h ASN 70 Ca -0.42 -0.65 -0.65 0.00 -0.55 0.00 0.00 56.30 54.03 1sql h ASN 70 Cb 1.25 -0.04 -0.13 0.00 0.05 0.00 0.00 38.32 39.45 1sql h ASN 70 CO 0.66 0.75 -0.69 -0.76 -1.65 0.00 0.00 177.43 175.74 1sql s LEU 71 N -8.84 3.26 0.34 1.61 1.43 -1.26 -3.15 118.68 112.06 1sql s LEU 71 Ca -0.16 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1sql s LEU 71 Cb 0.01 -2.01 0.60 0.00 0.03 0.00 0.00 46.19 44.83 1sql s LEU 71 CO 0.71 0.16 1.84 -0.07 0.23 0.00 0.00 176.35 179.23 1sql h LEU 72 N 3.39 0.40 -0.97 1.79 3.38 -1.96 -2.12 115.31 119.22 1sql h LEU 72 Ca -0.48 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 57.51 1sql h LEU 72 Cb 1.17 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1sql h LEU 72 CO 0.56 0.55 0.60 -0.33 0.09 0.00 0.00 178.44 179.91 1sql h GLU 73 N 0.39 0.92 -0.31 1.13 3.07 -1.95 0.31 114.58 118.15 1sql h GLU 73 Ca 0.08 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.70 1sql h GLU 73 Cb 0.44 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1sql h GLU 73 CO 0.02 0.61 -0.52 1.15 -1.40 0.00 0.00 179.01 178.88 1sql h THR 74 N 0.95 1.27 -0.17 1.13 2.02 -1.80 -1.47 112.91 114.84 1sql h THR 74 Ca 0.48 -1.70 -0.19 0.00 0.77 0.00 0.00 66.41 65.77 1sql h THR 74 Cb 0.47 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1sql h THR 74 CO -0.27 0.56 -0.66 0.58 0.37 0.00 0.00 175.52 176.10 1sql h VAL 75 N 0.69 1.31 -0.41 3.16 2.07 -1.19 -1.98 116.25 119.91 1sql h VAL 75 Ca 0.02 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.54 1sql h VAL 75 Cb 1.13 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1sql h VAL 75 CO 0.12 0.60 -0.07 0.00 0.02 0.00 0.00 177.57 178.24 1sql h ALA 76 N 0.79 1.10 -0.48 1.67 0.00 -0.95 -0.90 119.26 120.49 1sql h ALA 76 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1sql h ALA 76 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1sql h ALA 76 CO 0.13 0.56 0.03 1.49 0.00 0.00 0.00 179.25 181.46 1sql h GLU 77 N 0.65 0.82 -0.27 0.00 4.57 -1.13 -1.64 114.58 117.59 1sql h GLU 77 Ca 0.12 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1sql h GLU 77 Cb 0.51 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1sql h GLU 77 CO 0.03 0.85 0.10 -0.07 -1.18 0.00 0.00 179.01 178.75 1sql h LEU 78 N 0.69 0.38 -0.24 1.64 3.38 -1.00 0.14 115.31 120.30 1sql h LEU 78 Ca 0.14 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1sql h LEU 78 Cb 0.46 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1sql h LEU 78 CO 0.02 0.45 0.05 0.40 0.09 0.00 0.00 178.44 179.45 1sql h ILE 79 N 0.28 0.90 0.27 1.22 2.04 -1.07 0.11 117.51 121.26 1sql h ILE 79 Ca 0.09 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1sql h ILE 79 Cb 0.19 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1sql h ILE 79 CO -0.01 0.03 -0.13 0.00 0.00 0.00 0.00 178.15 178.04 1sql h ALA 80 N 1.17 -0.36 -0.23 1.87 0.00 -1.15 -1.15 119.26 119.41 1sql h ALA 80 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sql h ALA 80 Cb 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sql h ALA 80 CO -0.14 -0.65 0.11 0.66 0.00 0.00 0.00 179.25 179.23 1sql h SER 81 N -0.46 0.31 -0.17 0.00 4.64 -0.87 -1.65 113.55 115.35 1sql h SER 81 Ca -0.04 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1sql h SER 81 Cb 0.35 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1sql h SER 81 CO 0.06 0.36 0.02 0.11 -0.87 0.00 0.00 176.83 176.51 1sql h LYS 82 N 0.24 0.40 -0.04 4.77 1.57 -0.80 0.17 116.57 122.87 1sql h LYS 82 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1sql h LYS 82 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1sql h LYS 82 CO -0.01 0.41 -0.01 1.15 -0.57 0.00 0.00 179.45 180.43 1sql h THR 83 N 0.39 1.28 -0.72 -0.16 2.02 -0.88 -0.11 112.91 114.73 1sql h THR 83 Ca 0.09 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1sql h THR 83 Cb 0.23 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1sql h THR 83 CO 0.00 0.23 0.38 -0.07 0.37 0.00 0.00 175.52 176.43 1sql h LEU 84 N -0.26 0.90 -0.59 2.58 3.38 -0.98 -0.22 115.31 120.12 1sql h LEU 84 Ca 0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1sql h LEU 84 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sql h LEU 84 CO 0.00 0.74 0.12 -0.08 0.09 0.00 0.00 178.44 179.31 1sql h GLU 85 N 1.01 0.96 0.04 1.13 4.81 -0.49 -3.25 114.58 118.79 1sql h GLU 85 Ca 0.26 -0.24 -0.25 0.00 -0.13 0.00 0.00 59.36 58.99 1sql h GLU 85 Cb 0.04 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1sql h GLU 85 CO -0.04 0.90 -1.28 -0.22 -0.73 0.00 0.00 179.01 177.64 1sql h LYS 86 N 0.87 0.08 -3.43 1.92 3.64 -0.70 -3.42 116.57 115.52 1sql h LYS 86 Ca 0.18 -0.14 -0.65 0.00 -1.27 0.00 0.00 60.65 58.78 1sql h LYS 86 Cb 0.38 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 31.85 1sql h LYS 86 CO 0.01 0.94 -0.59 -0.06 -2.27 0.00 0.00 179.45 177.48 1sql s PHE 87 N -2.66 3.23 0.27 1.91 0.08 -0.12 -4.96 117.98 115.73 1sql s PHE 87 Ca -0.03 -3.10 0.01 0.00 0.12 0.00 0.00 56.93 53.93 1sql s PHE 87 Cb 0.09 -2.89 0.57 0.00 -0.57 0.00 0.00 43.02 40.22 1sql s PHE 87 CO 0.83 -0.76 1.78 0.45 -0.10 0.00 0.00 175.22 177.43 1sql h HIS 88 N 6.59 0.92 0.00 0.36 3.86 -1.82 -1.35 115.15 123.71 1sql h HIS 88 Ca -0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1sql h HIS 88 Cb 0.90 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1sql h HIS 88 CO 0.55 0.26 0.00 1.96 0.86 0.00 0.00 177.93 181.57 1sql h GLN 89 N 0.75 0.00 -6.25 2.45 7.50 -1.93 -3.41 115.11 114.22 1sql h GLN 89 Ca 0.49 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 59.08 1sql h GLN 89 Cb 0.65 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.14 1sql h GLN 89 CO -0.34 0.00 0.59 0.42 -1.50 0.00 0.00 178.83 178.00 1sql s ILE 90 N -3.93 4.74 -0.06 2.54 1.01 -0.51 -4.65 121.20 120.35 1sql s ILE 90 Ca -0.04 2.01 0.13 0.00 0.00 0.00 0.00 60.65 62.76 1sql s ILE 90 Cb 0.11 -4.29 -0.13 0.00 0.01 0.00 0.00 42.46 38.15 1sql s ILE 90 CO 0.36 -0.01 1.02 0.78 0.00 0.00 0.00 174.94 177.10 1sql h ASN 91 N 7.14 0.00 -4.97 3.58 -0.26 -0.89 -3.48 115.58 116.70 1sql h ASN 91 Ca -0.31 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.53 1sql h ASN 91 Cb 1.14 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 38.29 1sql h ASN 91 CO 0.86 0.76 0.39 0.00 -1.06 0.00 0.00 177.43 178.39 1sql s ALA 92 N -2.80 -1.64 -0.14 -0.83 0.00 -1.24 -4.40 121.76 110.71 1sql s ALA 92 Ca -0.01 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 1sql s ALA 92 Cb 0.09 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.89 1sql s ALA 92 CO 0.80 -0.86 0.37 0.54 0.00 0.00 0.00 175.76 176.61 1sql s VAL 93 N -3.42 -0.01 -0.18 0.00 0.11 -0.45 -0.23 120.40 116.22 1sql s VAL 93 Ca 0.07 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1sql s VAL 93 Cb -0.02 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1sql s VAL 93 CO -0.04 0.02 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.13 1sql s ARG 94 N 0.64 3.61 -0.15 1.54 3.52 -0.20 -1.19 118.95 126.73 1sql s ARG 94 Ca -0.04 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1sql s ARG 94 Cb -0.05 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1sql s ARG 94 CO -0.04 0.08 -0.19 0.08 -0.81 0.00 0.00 175.30 174.42 1sql s VAL 95 N 0.80 1.90 -0.24 7.11 1.01 -0.46 -1.18 120.40 129.33 1sql s VAL 95 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1sql s VAL 95 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1sql s VAL 95 CO 0.02 0.52 -0.05 -0.54 0.00 0.00 0.00 175.10 175.05 1sql s LYS 96 N 1.13 2.98 -0.11 2.72 1.02 0.34 -1.84 119.74 125.98 1sql s LYS 96 Ca -0.00 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.13 1sql s LYS 96 Cb -0.14 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1sql s LYS 96 CO -0.07 -0.35 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.63 1sql s LEU 97 N 1.37 1.98 0.24 3.17 2.96 -0.80 -0.82 118.68 126.79 1sql s LEU 97 Ca 0.02 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1sql s LEU 97 Cb -0.16 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1sql s LEU 97 CO -0.04 0.09 0.24 -0.44 -1.32 0.00 0.00 176.35 174.88 1sql s SER 98 N 0.66 0.41 -0.19 3.68 0.01 0.11 -0.48 113.70 117.90 1sql s SER 98 Ca -0.12 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.76 1sql s SER 98 Cb -0.16 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.55 1sql s SER 98 CO 0.03 -0.96 -0.17 -0.54 0.41 0.00 0.00 173.24 172.01 1sql s LYS 99 N -3.93 3.00 0.25 12.44 1.02 0.18 -0.83 119.74 131.87 1sql s LYS 99 Ca 0.36 -0.84 0.12 0.00 0.02 0.00 0.00 55.97 55.63 1sql s LYS 99 Cb 0.04 -2.67 0.23 0.00 -0.52 0.00 0.00 37.83 34.91 1sql s LYS 99 CO 0.15 -0.24 1.52 -1.35 -0.92 0.00 0.00 175.35 174.51 1sql h PRO 100 N 7.96 0.00 -4.73 -1.68 0.11 -1.76 -2.49 132.00 129.41 1sql h PRO 100 Ca -0.43 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.00 1sql h PRO 100 Cb 1.14 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.88 1sql h PRO 100 CO 0.62 0.67 -0.71 -0.80 -0.21 0.00 0.00 178.00 177.57 1sql s ASN 101 N -6.69 4.78 -0.32 -2.05 0.01 -1.26 -4.58 114.94 104.84 1sql s ASN 101 Ca 0.00 -1.73 -0.12 0.00 -0.71 0.00 0.00 52.86 50.31 1sql s ASN 101 Cb 0.11 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 1sql s ASN 101 CO 0.76 -0.32 0.21 -0.69 -1.51 0.00 0.00 177.10 175.55 1sql s VAL 102 N 1.07 5.17 0.32 1.60 1.01 -1.26 -4.97 120.40 123.34 1sql s VAL 102 Ca 0.01 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.60 1sql s VAL 102 Cb -0.20 -3.59 -0.13 0.00 0.00 0.00 0.00 36.38 32.46 1sql s VAL 102 CO -0.05 0.09 0.91 0.00 0.00 0.00 0.00 175.10 176.05 1sql n ALA 103 N 5.07 -0.51 0.00 5.51 0.00 -1.26 -2.19 120.51 127.13 1sql n ALA 103 Ca -0.13 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1sql n ALA 103 Cb 0.50 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.15 0.00 -4.63 0.00 7.99 -1.26 -4.96 117.00 115.29 1sql n LEU 104 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.68 1sql n LEU 104 Cb 0.34 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.50 1sql n LEU 104 CO 0.58 0.00 1.30 -0.63 -1.51 0.00 0.00 177.39 177.13 1sql s ILE 105 N -1.99 3.82 -2.00 -0.08 -1.09 -0.93 -4.86 121.20 114.07 1sql s ILE 105 Ca 0.00 0.94 0.29 0.00 -2.23 0.00 0.00 60.65 59.65 1sql s ILE 105 Cb 0.00 -3.80 0.57 0.00 -1.58 0.00 0.00 42.46 37.65 1sql s ILE 105 CO 0.00 -0.30 1.88 0.29 -1.23 0.00 0.00 174.94 175.58 1sql n LYS 106 N 7.46 1.08 -3.92 2.79 4.01 -1.26 -4.89 118.16 123.43 1sql n LYS 106 Ca 0.17 -0.44 -0.24 0.00 -0.51 0.00 0.00 58.31 57.29 1sql n LYS 106 Cb 0.45 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.44 1sql n LYS 106 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1sql s SER 107 N -2.22 4.65 0.13 4.39 1.04 -1.26 -5.12 113.70 115.30 1sql s SER 107 Ca 0.35 -1.05 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 1sql s SER 107 Cb 0.21 -0.23 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 1sql s SER 107 CO 0.41 -0.74 0.58 -0.89 0.98 0.00 0.00 173.24 173.58 1sql s THR 108 N -2.62 4.78 0.32 2.02 2.01 -1.26 -5.07 115.64 115.81 1sql s THR 108 Ca 0.40 1.03 -0.09 0.00 0.31 0.00 0.00 61.69 63.35 1sql s THR 108 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1sql s THR 108 CO 0.23 0.36 0.54 0.27 -0.69 0.00 0.00 174.62 175.33 1sql s ILE 109 N -1.34 0.00 -0.18 1.82 -0.00 -1.26 -5.07 121.20 115.18 1sql s ILE 109 Ca 0.35 -1.42 -0.14 0.00 -0.00 0.00 0.00 60.65 59.44 1sql s ILE 109 Cb -0.17 -2.53 -0.09 0.00 -0.00 0.00 0.00 42.46 39.67 1sql s ILE 109 CO 0.19 0.00 -0.10 0.47 -0.00 0.00 0.00 174.94 175.50 1sql n ASP 110 N -1.05 1.85 -3.61 4.36 8.00 -1.26 -5.04 116.55 119.81 1sql n ASP 110 Ca -0.02 0.51 -0.02 0.00 0.71 0.00 0.00 54.79 55.97 1sql n ASP 110 Cb 0.61 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.39 -0.08 -0.03 1.24 -0.85 -1.26 -4.38 117.35 109.60 1sql s TYR 111 Ca -0.23 0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.43 1sql s TYR 111 Cb 0.05 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.89 1sql s TYR 111 CO 0.38 -0.18 -0.24 -0.51 -1.52 0.00 0.00 175.55 173.48 1sql s LEU 112 N -2.35 2.05 0.00 -3.49 1.43 -0.94 -4.95 118.68 110.43 1sql s LEU 112 Ca 0.11 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1sql s LEU 112 Cb 0.01 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1sql s LEU 112 CO -0.04 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1sql n GLY 113 N 2.57 2.09 3.43 -3.19 0.00 -1.26 -0.64 105.19 108.18 1sql n GLY 113 Ca -0.16 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.80 1.88 -0.19 1.61 -7.23 0.37 -4.97 120.40 109.06 1sql s VAL 114 Ca 0.00 -2.21 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 1sql s VAL 114 Cb 0.00 -2.33 0.09 0.00 0.56 0.00 0.00 36.38 34.70 1sql s VAL 114 CO 0.00 -0.39 0.29 -0.62 -0.31 0.00 0.00 175.10 174.07 1sql s ASP 115 N -3.44 0.61 0.17 4.85 3.68 -1.26 -1.90 116.67 119.39 1sql s ASP 115 Ca 0.28 0.25 0.07 0.00 2.13 0.00 0.00 52.55 55.28 1sql s ASP 115 Cb 0.01 0.76 -0.04 0.00 -1.45 0.00 0.00 42.92 42.20 1sql s ASP 115 CO 0.12 -0.28 -0.14 0.27 0.13 0.00 0.00 175.17 175.26 1sql s ILE 116 N 2.44 1.56 -0.07 4.11 -4.36 -0.77 -4.99 121.20 119.12 1sql s ILE 116 Ca 0.06 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 1sql s ILE 116 Cb -0.14 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.69 1sql s ILE 116 CO -0.12 -0.57 -0.10 0.12 0.24 0.00 0.00 174.94 174.51 1sql s PHE 117 N -2.80 1.32 0.04 1.37 5.36 -1.26 -1.35 117.98 120.65 1sql s PHE 117 Ca 0.18 -0.49 0.03 0.00 -0.96 0.00 0.00 56.93 55.68 1sql s PHE 117 Cb -0.01 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.64 1sql s PHE 117 CO 0.05 -0.29 -0.09 1.03 -1.46 0.00 0.00 175.22 174.46 1sql s ARG 118 N 0.85 0.57 0.14 10.12 1.81 -0.33 -4.98 118.95 127.12 1sql s ARG 118 Ca -0.11 -0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 53.20 1sql s ARG 118 Cb -0.15 -0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 1sql s ARG 118 CO 0.02 0.09 0.06 -0.65 -0.68 0.00 0.00 175.30 174.13 1sql s GLN 119 N -1.34 0.95 -0.57 3.54 -0.21 -1.26 -1.34 119.66 119.43 1sql s GLN 119 Ca -0.07 -1.45 -0.28 0.00 0.02 0.00 0.00 55.36 53.59 1sql s GLN 119 Cb -0.09 0.24 0.03 0.00 1.00 0.00 0.00 33.01 34.20 1sql s GLN 119 CO 0.01 -0.27 1.15 1.03 -2.12 0.00 0.00 175.29 175.08 1sql s ARG 120 N -4.06 3.50 0.45 2.91 0.52 -1.26 -5.00 118.95 116.00 1sql s ARG 120 Ca 0.25 0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.73 1sql s ARG 120 Cb 0.07 -4.01 0.02 0.00 0.52 0.00 0.00 34.95 31.55 1sql s ARG 120 CO 0.03 -1.63 0.57 -0.80 0.02 0.00 0.00 175.30 173.48 1sql s ASN 121 N 2.91 5.43 0.37 0.23 0.02 -1.26 -5.06 114.94 117.58 1sql s ASN 121 Ca 0.41 -0.58 -0.27 0.00 -1.02 0.00 0.00 52.86 51.41 1sql s ASN 121 Cb -0.08 -0.45 -0.11 0.00 0.02 0.00 0.00 41.25 40.62 1sql s ASN 121 CO 0.25 -0.85 1.26 0.41 0.02 0.00 0.00 177.10 178.19 1sql n THR 122 N -1.86 2.22 -0.69 1.60 -1.04 -1.26 -5.29 114.28 107.96 1sql n THR 122 Ca 0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1sql n THR 122 Cb 0.60 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 1sql n THR 122 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19