#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 1.11 -0.13 1.61 1.01 -1.26 -4.94 116.67 114.08 1sql s ASP 2 Ca 0.00 0.94 -0.30 0.00 0.71 0.00 0.00 52.55 53.90 1sql s ASP 2 Cb 0.00 -1.41 0.12 0.00 1.01 0.00 0.00 42.92 42.64 1sql s ASP 2 CO 0.00 -4.04 0.98 -1.59 0.21 0.00 0.00 175.17 170.73 1sql s LYS 3 N -5.09 0.63 -0.10 8.23 -2.85 -1.25 -2.90 119.74 116.41 1sql s LYS 3 Ca 0.69 0.04 -0.14 0.00 -1.00 0.00 0.00 55.97 55.55 1sql s LYS 3 Cb -0.15 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.86 1sql s LYS 3 CO 0.58 -0.22 0.35 -0.51 0.10 0.00 0.00 175.35 175.65 1sql s LEU 4 N -1.46 4.34 -0.13 2.77 1.43 0.13 -4.91 118.68 120.85 1sql s LEU 4 Ca 0.00 0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1sql s LEU 4 Cb -0.01 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1sql s LEU 4 CO -0.01 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 176.00 1sql s ILE 5 N -0.12 3.16 -0.24 -0.59 -1.09 -1.26 -1.29 121.20 119.77 1sql s ILE 5 Ca 0.20 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1sql s ILE 5 Cb -0.14 -2.33 0.07 0.00 -1.58 0.00 0.00 42.46 38.48 1sql s ILE 5 CO 0.08 0.53 0.01 -0.76 -1.23 0.00 0.00 174.94 173.56 1sql s LEU 6 N 0.24 2.15 -0.09 2.97 1.02 -0.55 -5.01 118.68 119.42 1sql s LEU 6 Ca -0.08 -1.18 0.00 0.00 0.02 0.00 0.00 54.13 52.89 1sql s LEU 6 Cb -0.15 -0.95 -0.02 0.00 0.02 0.00 0.00 46.19 45.08 1sql s LEU 6 CO 0.05 -0.29 -0.09 -0.75 0.02 0.00 0.00 176.35 175.28 1sql s LYS 7 N 1.56 3.01 -1.30 1.70 2.47 -1.26 -0.24 119.74 125.67 1sql s LYS 7 Ca -0.01 -0.61 -0.02 0.00 -1.56 0.00 0.00 55.97 53.77 1sql s LYS 7 Cb -0.18 -2.61 0.01 0.00 -1.46 0.00 0.00 37.83 33.59 1sql s LYS 7 CO -0.10 0.48 0.87 0.41 0.16 0.00 0.00 175.35 177.16 1sql n GLY 8 N 2.77 -0.35 3.65 5.54 0.00 -1.18 -4.94 105.19 110.69 1sql n GLY 8 Ca -0.18 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -6.69 4.11 -0.23 0.99 1.43 0.71 -4.79 118.68 114.20 1sql s LEU 9 Ca 0.12 1.52 -0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1sql s LEU 9 Cb -0.06 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 1sql s LEU 9 CO 0.78 -0.80 0.13 -0.54 0.23 0.00 0.00 176.35 176.15 1sql s LYS 10 N 3.55 3.99 -0.01 1.70 1.02 -1.26 -0.05 119.74 128.69 1sql s LYS 10 Ca 0.52 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.22 1sql s LYS 10 Cb -0.19 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1sql s LYS 10 CO 0.14 0.06 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.49 1sql s PHE 11 N 1.03 0.67 -0.03 3.18 0.08 -0.56 -4.97 117.98 117.38 1sql s PHE 11 Ca 0.06 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.80 1sql s PHE 11 Cb -0.14 -0.44 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 1sql s PHE 11 CO 0.04 -0.02 0.53 -0.47 -0.10 0.00 0.00 175.22 175.20 1sql s TYR 12 N -0.13 3.65 0.08 0.36 6.14 -1.26 -0.03 117.35 126.16 1sql s TYR 12 Ca 0.02 1.08 -0.00 0.00 0.64 0.00 0.00 57.07 58.81 1sql s TYR 12 Cb -0.03 -2.54 0.00 0.00 0.42 0.00 0.00 41.96 39.81 1sql s TYR 12 CO -0.00 0.36 0.11 0.41 0.64 0.00 0.00 175.55 177.07 1sql n GLY 13 N 2.54 2.94 0.52 8.97 0.00 0.15 -4.31 105.19 116.00 1sql n GLY 13 Ca -0.08 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.13 0.00 -1.56 1.61 3.01 -1.26 -1.05 117.46 118.07 1sql n PHE 14 Ca 0.00 -0.72 -0.32 0.00 1.01 0.00 0.00 57.45 57.43 1sql n PHE 14 Cb 0.13 -0.14 0.06 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.64 2.77 0.00 1.38 3.76 -1.26 -3.80 115.29 116.49 1sql s HIS 15 Ca 0.24 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 1sql s HIS 15 Cb 0.23 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.89 1sql s HIS 15 CO -0.03 -1.55 0.00 0.41 -0.85 0.00 0.00 174.74 172.73 1sql n GLY 16 N -1.19 4.13 0.01 -2.22 0.00 0.52 -4.63 105.19 101.81 1sql n GLY 16 Ca 0.09 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.77 4.01 -2.69 4.61 0.00 -1.09 -4.22 120.51 119.35 1sql n ALA 17 Ca 0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 1sql n ALA 17 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.06 5.12 0.26 0.00 1.01 -1.26 -4.98 121.20 118.28 1sql s ILE 18 Ca 0.07 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.76 1sql s ILE 18 Cb 0.16 -3.88 0.27 0.00 0.01 0.00 0.00 42.46 39.02 1sql s ILE 18 CO 0.80 0.24 1.66 0.00 0.00 0.00 0.00 174.94 177.64 1sql h ALA 19 N 7.05 1.00 0.00 9.38 0.00 -2.02 0.10 119.26 134.77 1sql h ALA 19 Ca -0.37 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1sql h ALA 19 Cb 1.17 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1sql h ALA 19 CO 0.75 -0.40 -0.16 0.93 0.00 0.00 0.00 179.25 180.37 1sql h GLU 20 N 0.21 0.00 -0.52 0.00 3.07 -1.99 -2.95 114.58 112.39 1sql h GLU 20 Ca 0.45 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.19 1sql h GLU 20 Cb 0.82 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1sql h GLU 20 CO -0.59 0.16 -0.16 0.93 -1.40 0.00 0.00 179.01 177.95 1sql h GLU 21 N 0.00 1.03 -0.05 2.33 5.08 -1.16 -1.35 114.58 120.46 1sql h GLU 21 Ca -0.00 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 1sql h GLU 21 Cb 0.56 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1sql h GLU 21 CO 0.02 1.10 -0.34 0.00 -1.00 0.00 0.00 179.01 178.79 1sql h ARG 22 N 0.90 0.09 0.04 2.33 3.08 -1.39 0.20 114.38 119.63 1sql h ARG 22 Ca 0.13 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1sql h ARG 22 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1sql h ARG 22 CO 0.06 0.42 -0.02 1.15 -1.07 0.00 0.00 179.97 180.51 1sql h THR 23 N 0.08 1.37 0.21 2.04 2.02 -1.48 -3.39 112.91 113.76 1sql h THR 23 Ca 0.01 -1.59 -0.31 0.00 0.77 0.00 0.00 66.41 65.29 1sql h THR 23 Cb 0.64 2.39 0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1sql h THR 23 CO 0.05 0.39 -1.39 -0.07 0.37 0.00 0.00 175.52 174.86 1sql h LEU 24 N -0.79 0.70 0.00 2.58 4.07 -1.26 -3.51 115.31 117.11 1sql h LEU 24 Ca -0.01 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.03 1sql h LEU 24 Cb 0.67 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1sql h LEU 24 CO 0.01 1.66 0.00 0.61 -1.08 0.00 0.00 178.44 179.64 1sql n GLY 25 N 1.74 -1.21 3.59 0.83 0.00 0.71 -5.01 105.19 105.84 1sql n GLY 25 Ca -0.18 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 1sql n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sql n GLN 26 N -1.05 0.54 -3.42 1.61 10.64 -0.22 -4.98 117.38 120.50 1sql n GLN 26 Ca 0.00 -1.29 -0.34 0.00 -1.83 0.00 0.00 57.00 53.54 1sql n GLN 26 Cb 0.00 1.77 -0.06 0.00 -0.86 0.00 0.00 30.24 31.10 1sql n GLN 26 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1sql s MET 27 N -2.04 3.88 0.08 2.61 -1.94 -1.26 -0.68 119.30 119.94 1sql s MET 27 Ca 0.22 0.36 0.06 0.00 -1.71 0.00 0.00 55.69 54.62 1sql s MET 27 Cb -0.02 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 1sql s MET 27 CO 0.04 0.44 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.27 1sql s PHE 28 N -1.57 1.42 -0.11 -0.03 0.40 0.96 -4.42 117.98 114.62 1sql s PHE 28 Ca 0.40 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 1sql s PHE 28 Cb -0.14 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.59 1sql s PHE 28 CO 0.20 0.10 -0.17 -1.17 0.70 0.00 0.00 175.22 174.88 1sql s LEU 29 N -1.70 2.50 -0.06 -0.37 2.96 -0.57 -1.50 118.68 119.95 1sql s LEU 29 Ca 0.01 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1sql s LEU 29 Cb -0.10 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1sql s LEU 29 CO 0.03 0.18 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.41 1sql s VAL 30 N 0.25 1.19 -0.09 1.68 1.01 0.93 -0.85 120.40 124.54 1sql s VAL 30 Ca -0.12 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1sql s VAL 30 Cb -0.16 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1sql s VAL 30 CO 0.06 0.36 -0.20 -1.81 0.00 0.00 0.00 175.10 173.51 1sql s ASP 31 N 0.45 3.45 -0.10 3.32 1.01 0.30 -0.21 116.67 124.90 1sql s ASP 31 Ca -0.11 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.73 1sql s ASP 31 Cb -0.14 -1.18 0.02 0.00 1.01 0.00 0.00 42.92 42.63 1sql s ASP 31 CO 0.03 0.22 -0.11 -0.63 0.21 0.00 0.00 175.17 174.89 1sql s ILE 32 N 0.02 1.16 -0.22 0.77 -1.09 0.66 -0.99 121.20 121.51 1sql s ILE 32 Ca -0.07 -0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1sql s ILE 32 Cb -0.15 -1.11 0.02 0.00 -1.58 0.00 0.00 42.46 39.64 1sql s ILE 32 CO 0.05 0.38 -0.12 -1.81 -1.23 0.00 0.00 174.94 172.21 1sql s ASP 33 N 1.20 3.82 -0.21 3.58 -0.00 -0.13 -1.48 116.67 123.46 1sql s ASP 33 Ca -0.04 -0.73 -0.00 0.00 -0.00 0.00 0.00 52.55 51.77 1sql s ASP 33 Cb -0.14 -1.59 0.02 0.00 -0.00 0.00 0.00 42.92 41.21 1sql s ASP 33 CO -0.03 -0.06 -0.14 0.00 -0.00 0.00 0.00 175.17 174.94 1sql s ALA 34 N 1.32 2.51 -0.30 5.23 0.00 -0.41 -0.37 121.76 129.74 1sql s ALA 34 Ca 0.02 -1.30 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 1sql s ALA 34 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1sql s ALA 34 CO -0.08 -0.52 0.88 -1.58 0.00 0.00 0.00 175.76 174.47 1sql s TRP 35 N 1.32 3.20 -0.16 0.00 0.51 0.10 0.17 118.94 124.08 1sql s TRP 35 Ca 0.03 0.96 -0.23 0.00 -2.12 0.00 0.00 56.10 54.74 1sql s TRP 35 Cb -0.14 -3.35 0.06 0.00 -0.81 0.00 0.00 33.47 29.22 1sql s TRP 35 CO -0.09 -0.61 0.59 0.54 -0.51 0.00 0.00 176.95 176.87 1sql s VAL 36 N 3.16 0.01 0.12 4.03 0.11 -1.14 -0.73 120.40 125.95 1sql s VAL 36 Ca 0.37 -0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 59.05 1sql s VAL 36 Cb -0.14 -0.86 -0.09 0.00 -1.53 0.00 0.00 36.38 33.77 1sql s VAL 36 CO 0.13 -0.03 1.50 -0.55 -3.33 0.00 0.00 175.10 172.82 1sql s SER 37 N -0.24 6.70 0.00 3.54 0.15 -1.26 -3.86 113.70 118.72 1sql s SER 37 Ca -0.04 2.45 0.08 0.00 0.70 0.00 0.00 55.95 59.13 1sql s SER 37 Cb -0.03 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.77 1sql s SER 37 CO 0.04 -0.76 0.80 0.18 1.20 0.00 0.00 173.24 174.70 1sql n LEU 38 N 4.29 1.77 0.01 3.45 4.77 -1.26 -4.70 117.00 125.34 1sql n LEU 38 Ca 0.13 -1.12 -0.11 0.00 -0.03 0.00 0.00 56.01 54.88 1sql n LEU 38 Cb 0.41 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1sql n LEU 38 CO 0.60 0.37 0.89 0.50 -1.33 0.00 0.00 177.39 178.42 1sql h LYS 39 N 1.54 0.09 0.02 3.23 3.64 -1.95 0.61 116.57 123.74 1sql h LYS 39 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1sql h LYS 39 Cb 0.37 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1sql h LYS 39 CO 0.00 0.09 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.84 1sql h LYS 40 N 0.07 -0.33 -0.46 1.90 3.64 -1.90 -1.41 116.57 118.08 1sql h LYS 40 Ca 0.02 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1sql h LYS 40 Cb 0.02 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1sql h LYS 40 CO -0.00 -0.22 0.10 0.00 -2.27 0.00 0.00 179.45 177.05 1sql h ALA 41 N 0.53 1.30 0.00 5.00 0.00 -1.69 -0.37 119.26 124.03 1sql h ALA 41 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sql h ALA 41 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sql h ALA 41 CO -0.18 0.49 0.00 0.78 0.00 0.00 0.00 179.25 180.34 1sql h GLY 42 N 0.90 0.00 0.00 0.00 0.00 0.02 0.19 103.07 104.18 1sql h GLY 42 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 1sql h GLY 42 CO -0.00 0.00 -1.95 1.18 0.00 0.00 0.00 176.54 175.77 1sql n GLU 43 N -2.88 1.17 -0.03 4.80 1.02 -0.62 -4.58 120.64 119.52 1sql n GLU 43 Ca -0.01 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 1sql n GLU 43 Cb 0.15 -1.39 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.40 0.83 -1.51 1.62 3.41 -0.24 -4.98 113.62 110.35 1sql n SER 44 Ca -0.18 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1sql n SER 44 Cb 0.81 0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 -3.03 -4.08 -4.35 4.04 2.03 0.66 -5.01 116.55 106.81 1sql n ASP 45 Ca -0.20 -0.02 -0.35 0.00 0.52 0.00 0.00 54.79 54.73 1sql n ASP 45 Cb 1.07 -3.25 -0.14 0.00 -0.72 0.00 0.00 41.12 38.08 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 -2.44 4.53 0.62 1.67 3.04 -1.26 -4.97 114.94 116.13 1sql s ASN 46 Ca 0.01 -0.34 0.30 0.00 0.04 0.00 0.00 52.86 52.88 1sql s ASN 46 Cb -0.01 -1.79 1.63 0.00 -1.54 0.00 0.00 41.25 39.55 1sql s ASN 46 CO 0.02 -0.02 1.98 0.25 -3.04 0.00 0.00 177.10 176.29 1sql h LEU 47 N 8.12 0.00 -1.43 3.21 6.46 -1.94 0.21 115.31 129.93 1sql h LEU 47 Ca -0.40 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.30 1sql h LEU 47 Cb 1.16 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1sql h LEU 47 CO 0.60 0.00 -0.26 -0.33 -0.62 0.00 0.00 178.44 177.82 1sql h GLU 48 N 0.00 0.00 -0.07 1.25 5.08 -2.00 -2.86 114.58 115.98 1sql h GLU 48 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sql h GLU 48 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sql h GLU 48 CO -0.00 0.26 0.00 -0.25 -1.00 0.00 0.00 179.01 178.02 1sql n ASP 49 N -3.78 0.70 -0.68 1.42 8.00 0.73 -4.88 116.55 118.06 1sql n ASP 49 Ca -0.01 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1sql n ASP 49 Cb 0.36 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.32 0.00 -4.60 -3.53 5.66 -1.08 -4.12 114.28 106.29 1sql n THR 50 Ca 0.15 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.82 1sql n THR 50 Cb 0.18 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.80 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 -1.41 2.29 0.13 1.09 1.01 -1.26 -5.00 121.20 118.04 1sql s ILE 51 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.44 1sql s ILE 51 Cb 0.00 -1.94 -0.10 0.00 0.01 0.00 0.00 42.46 40.44 1sql s ILE 51 CO 0.00 0.54 1.69 -0.55 0.00 0.00 0.00 174.94 176.61 1sql s SER 52 N 0.83 6.51 0.09 3.58 0.15 -1.26 -4.84 113.70 118.76 1sql s SER 52 Ca -0.06 2.66 0.14 0.00 0.70 0.00 0.00 55.95 59.39 1sql s SER 52 Cb -0.15 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.21 1sql s SER 52 CO -0.01 -0.92 1.45 0.00 1.20 0.00 0.00 173.24 174.96 1sql n TYR 53 N 4.90 0.26 0.08 3.44 -0.00 -1.26 -1.77 117.16 122.81 1sql n TYR 53 Ca 0.16 0.11 -0.10 0.00 -0.00 0.00 0.00 57.90 58.07 1sql n TYR 53 Cb 0.38 -0.68 -0.03 0.00 -0.00 0.00 0.00 39.34 39.02 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 1.49 -0.38 -3.48 2.07 -1.99 -1.16 116.25 112.81 1sql h VAL 54 Ca 0.00 -2.67 -0.09 0.00 0.82 0.00 0.00 66.70 64.76 1sql h VAL 54 Cb 0.20 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1sql h VAL 54 CO 0.00 0.78 -0.13 0.44 0.02 0.00 0.00 177.57 178.68 1sql h ASP 55 N 0.11 0.77 -0.37 0.57 3.45 -1.73 -0.08 116.42 119.14 1sql h ASP 55 Ca -0.05 -0.38 -0.05 0.00 0.43 0.00 0.00 57.03 56.97 1sql h ASP 55 Cb 1.56 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 40.11 1sql h ASP 55 CO 0.14 0.97 0.03 0.40 -1.57 0.00 0.00 179.24 179.21 1sql h ILE 56 N 0.55 1.25 -0.21 0.35 2.04 -1.53 -1.15 117.51 118.80 1sql h ILE 56 Ca 0.09 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1sql h ILE 56 Cb 0.66 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1sql h ILE 56 CO 0.04 0.31 -0.04 0.15 0.00 0.00 0.00 178.15 178.61 1sql h PHE 57 N 0.46 -0.10 -0.95 1.37 3.57 -1.06 -2.28 116.94 117.95 1sql h PHE 57 Ca 0.11 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1sql h PHE 57 Cb 0.42 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1sql h PHE 57 CO 0.03 -0.08 0.62 0.77 -2.23 0.00 0.00 178.31 177.42 1sql h SER 58 N 0.01 1.04 0.08 0.41 0.02 -0.79 0.43 113.55 114.74 1sql h SER 58 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1sql h SER 58 Cb 0.15 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1sql h SER 58 CO -0.21 0.71 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.05 1sql h LEU 59 N 1.20 -0.19 -0.30 5.07 3.38 -0.67 -1.20 115.31 122.61 1sql h LEU 59 Ca 0.38 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1sql h LEU 59 Cb 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1sql h LEU 59 CO -0.11 -0.11 0.09 0.00 0.09 0.00 0.00 178.44 178.39 1sql h ALA 60 N 0.75 0.39 -0.41 1.53 0.00 -1.08 -2.39 119.26 118.05 1sql h ALA 60 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1sql h ALA 60 Cb 0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1sql h ALA 60 CO -0.02 0.02 -0.07 -0.22 0.00 0.00 0.00 179.25 178.96 1sql h LYS 61 N 0.32 0.03 -0.96 0.00 3.64 -0.80 -0.58 116.57 118.23 1sql h LYS 61 Ca 0.10 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1sql h LYS 61 Cb 0.24 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1sql h LYS 61 CO -0.00 0.02 0.62 0.93 -2.27 0.00 0.00 179.45 178.75 1sql h GLU 62 N 0.03 1.06 0.47 1.90 4.39 -1.02 -2.30 114.58 119.11 1sql h GLU 62 Ca 0.20 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1sql h GLU 62 Cb 0.30 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1sql h GLU 62 CO -0.40 0.70 -0.22 0.82 -1.16 0.00 0.00 179.01 178.74 1sql h ILE 63 N 1.09 0.00 -0.30 3.13 1.08 -0.68 -2.80 117.51 119.03 1sql h ILE 63 Ca 0.42 -0.53 0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1sql h ILE 63 Cb 0.21 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 1sql h ILE 63 CO -0.17 0.00 0.20 0.58 -0.69 0.00 0.00 178.15 178.07 1sql h VAL 64 N -1.16 1.05 -0.01 1.67 2.07 -1.18 -1.23 116.25 117.47 1sql h VAL 64 Ca -0.06 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1sql h VAL 64 Cb 0.48 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1sql h VAL 64 CO 0.10 0.07 -0.15 -0.62 0.02 0.00 0.00 177.57 176.99 1sql n GLU 65 N -4.49 0.98 0.00 1.57 1.02 -0.87 -4.34 120.64 114.51 1sql n GLU 65 Ca 0.02 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1sql n GLU 65 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.27 1.25 3.60 0.62 0.00 -0.46 -4.89 105.19 106.58 1sql n GLY 66 Ca 0.15 -1.58 -0.53 0.00 0.00 0.00 0.00 46.02 44.05 1sql n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sql n SER 67 N 0.00 1.66 -4.70 1.61 7.64 -1.26 -4.70 113.62 113.87 1sql n SER 67 Ca 0.00 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.58 1sql n SER 67 Cb 0.00 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sql s PRO 68 N 0.84 4.15 0.25 1.43 0.04 -1.26 -4.91 135.00 135.54 1sql s PRO 68 Ca 0.87 2.55 0.08 0.00 0.04 0.00 0.00 61.00 64.53 1sql s PRO 68 Cb -0.98 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 1sql s PRO 68 CO 0.50 -0.80 0.09 1.03 0.04 0.00 0.00 177.00 177.85 1sql s ARG 69 N 2.43 2.61 -0.07 4.56 3.00 -1.26 -4.94 118.95 125.27 1sql s ARG 69 Ca 0.78 -1.21 -0.25 0.00 0.00 0.00 0.00 55.73 55.05 1sql s ARG 69 Cb -0.45 -2.37 -0.25 0.00 0.00 0.00 0.00 34.95 31.87 1sql s ARG 69 CO 0.35 0.39 0.97 -0.91 0.00 0.00 0.00 175.30 176.10 1sql h ASN 70 N 1.80 0.18 -2.97 0.23 2.35 -1.95 0.15 115.58 115.37 1sql h ASN 70 Ca -0.46 -0.83 -0.61 0.00 -0.55 0.00 0.00 56.30 53.84 1sql h ASN 70 Cb 1.24 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 39.44 1sql h ASN 70 CO 0.60 0.99 -0.65 -0.76 -1.65 0.00 0.00 177.43 175.97 1sql s LEU 71 N -8.42 3.41 0.28 1.61 1.43 -1.26 -2.59 118.68 113.13 1sql s LEU 71 Ca -0.16 -0.31 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1sql s LEU 71 Cb -0.00 -2.07 0.40 0.00 0.03 0.00 0.00 46.19 44.54 1sql s LEU 71 CO 0.73 0.11 1.64 -0.07 0.23 0.00 0.00 176.35 178.99 1sql h LEU 72 N 2.85 0.10 -0.54 1.79 3.38 -1.96 -2.97 115.31 117.95 1sql h LEU 72 Ca -0.47 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.53 1sql h LEU 72 Cb 1.19 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1sql h LEU 72 CO 0.59 0.63 0.14 -0.33 0.09 0.00 0.00 178.44 179.56 1sql h GLU 73 N 0.07 0.28 0.19 1.13 3.07 -1.95 -0.03 114.58 117.34 1sql h GLU 73 Ca -0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1sql h GLU 73 Cb 1.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1sql h GLU 73 CO 0.08 0.19 -0.09 1.15 -1.40 0.00 0.00 179.01 178.93 1sql h THR 74 N 0.29 0.88 -0.48 1.13 2.02 -1.95 -0.11 112.91 114.70 1sql h THR 74 Ca 0.28 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1sql h THR 74 Cb 0.36 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1sql h THR 74 CO -0.33 0.07 0.19 0.58 0.37 0.00 0.00 175.52 176.40 1sql h VAL 75 N -0.39 0.87 -0.39 3.16 2.07 -1.39 -0.23 116.25 119.95 1sql h VAL 75 Ca -0.03 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1sql h VAL 75 Cb 0.30 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1sql h VAL 75 CO 0.04 0.07 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 1sql h ALA 76 N 1.30 1.16 -0.49 1.67 0.00 -0.91 -2.24 119.26 119.76 1sql h ALA 76 Ca 0.22 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1sql h ALA 76 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sql h ALA 76 CO -0.21 0.53 0.04 1.49 0.00 0.00 0.00 179.25 181.10 1sql h GLU 77 N 0.60 0.83 -0.38 0.00 4.57 -0.08 -1.95 114.58 118.18 1sql h GLU 77 Ca 0.11 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1sql h GLU 77 Cb 0.48 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1sql h GLU 77 CO 0.03 0.85 0.22 -0.07 -1.18 0.00 0.00 179.01 178.85 1sql h LEU 78 N 0.70 0.46 -0.38 1.64 3.38 -0.75 -0.27 115.31 120.09 1sql h LEU 78 Ca 0.14 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1sql h LEU 78 Cb 0.45 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1sql h LEU 78 CO 0.02 0.40 0.18 0.40 0.09 0.00 0.00 178.44 179.53 1sql h ILE 79 N 0.49 0.97 0.39 1.22 2.04 -1.28 0.39 117.51 121.73 1sql h ILE 79 Ca 0.13 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1sql h ILE 79 Cb 0.03 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1sql h ILE 79 CO -0.02 0.07 -0.19 0.00 0.00 0.00 0.00 178.15 178.01 1sql h ALA 80 N 1.20 -0.53 -0.71 1.87 0.00 -1.05 0.10 119.26 120.14 1sql h ALA 80 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sql h ALA 80 Cb 0.07 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1sql h ALA 80 CO -0.12 -0.71 0.32 0.66 0.00 0.00 0.00 179.25 179.40 1sql h SER 81 N -0.69 0.93 -0.40 0.00 4.64 -0.95 -0.50 113.55 116.58 1sql h SER 81 Ca -0.05 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 1sql h SER 81 Cb 0.49 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1sql h SER 81 CO 0.09 0.81 0.14 0.50 -0.87 0.00 0.00 176.83 177.50 1sql h LYS 82 N 1.02 0.60 0.18 4.77 1.63 -0.12 0.73 116.57 125.37 1sql h LYS 82 Ca 0.24 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1sql h LYS 82 Cb 0.14 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1sql h LYS 82 CO -0.03 0.59 -0.09 1.15 -3.45 0.00 0.00 179.45 177.62 1sql h THR 83 N 0.50 0.84 -0.97 1.00 2.02 -0.24 -1.84 112.91 114.21 1sql h THR 83 Ca 0.13 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1sql h THR 83 Cb 0.22 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1sql h THR 83 CO -0.01 0.01 0.63 -0.07 0.37 0.00 0.00 175.52 176.46 1sql h LEU 84 N -0.27 1.13 -1.05 2.58 4.07 -1.04 -2.41 115.31 118.33 1sql h LEU 84 Ca -0.02 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1sql h LEU 84 Cb 0.21 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1sql h LEU 84 CO 0.04 0.83 -0.18 -0.08 -1.08 0.00 0.00 178.44 177.96 1sql h GLU 85 N 1.33 0.46 0.00 1.13 4.81 -0.64 -3.16 114.58 118.51 1sql h GLU 85 Ca 0.36 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.29 1sql h GLU 85 Cb -0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1sql h GLU 85 CO -0.07 0.63 -0.76 -0.22 -0.73 0.00 0.00 179.01 177.85 1sql h LYS 86 N 0.42 0.00 -2.80 1.92 3.64 -1.00 -3.42 116.57 115.33 1sql h LYS 86 Ca 0.07 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.85 1sql h LYS 86 Cb 0.56 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.99 1sql h LYS 86 CO 0.04 0.63 -0.79 -0.06 -2.27 0.00 0.00 179.45 177.00 1sql s PHE 87 N -2.87 1.66 0.60 1.91 0.08 -0.94 -4.98 117.98 113.45 1sql s PHE 87 Ca 0.02 -2.29 0.30 0.00 0.12 0.00 0.00 56.93 55.08 1sql s PHE 87 Cb 0.08 -1.56 1.63 0.00 -0.57 0.00 0.00 43.02 42.61 1sql s PHE 87 CO 0.78 -0.78 2.03 0.45 -0.10 0.00 0.00 175.22 177.59 1sql h HIS 88 N 6.51 0.00 0.00 0.36 3.86 -1.82 0.14 115.15 124.20 1sql h HIS 88 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1sql h HIS 88 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1sql h HIS 88 CO 0.45 0.00 0.00 -0.56 0.86 0.00 0.00 177.93 178.68 1sql h GLN 89 N 0.00 0.00 -6.22 2.45 3.07 -1.93 -3.42 115.11 109.06 1sql h GLN 89 Ca 0.11 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.29 1sql h GLN 89 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.22 1sql h GLN 89 CO -0.00 0.00 0.80 0.42 0.09 0.00 0.00 178.83 180.13 1sql s ILE 90 N -3.49 4.32 -0.32 1.86 1.01 0.03 -4.68 121.20 119.93 1sql s ILE 90 Ca 0.02 1.62 0.20 0.00 0.00 0.00 0.00 60.65 62.50 1sql s ILE 90 Cb 0.09 -4.04 0.20 0.00 0.01 0.00 0.00 42.46 38.72 1sql s ILE 90 CO 0.43 -0.08 1.46 0.78 0.00 0.00 0.00 174.94 177.53 1sql h ASN 91 N 7.78 0.00 -4.06 3.58 2.35 -1.18 -3.44 115.58 120.61 1sql h ASN 91 Ca -0.29 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 55.71 1sql h ASN 91 Cb 1.13 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.29 1sql h ASN 91 CO 0.93 0.17 0.83 0.00 -1.65 0.00 0.00 177.43 177.71 1sql s ALA 92 N -3.14 -2.08 -0.01 -0.83 0.00 -1.23 -3.93 121.76 110.53 1sql s ALA 92 Ca 0.05 1.67 -0.00 0.00 0.00 0.00 0.00 51.96 53.67 1sql s ALA 92 Cb 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1sql s ALA 92 CO 0.71 -0.52 0.02 0.14 0.00 0.00 0.00 175.76 176.10 1sql s VAL 93 N -2.11 -0.00 -0.19 0.00 -7.23 0.02 -0.72 120.40 110.16 1sql s VAL 93 Ca 0.09 0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1sql s VAL 93 Cb -0.01 -0.03 -0.01 0.00 0.56 0.00 0.00 36.38 36.88 1sql s VAL 93 CO -0.04 0.01 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.09 1sql s ARG 94 N 0.08 3.42 -0.18 4.82 3.52 0.51 -0.64 118.95 130.48 1sql s ARG 94 Ca -0.01 -0.62 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1sql s ARG 94 Cb -0.01 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1sql s ARG 94 CO -0.00 -0.05 -0.14 0.08 -0.81 0.00 0.00 175.30 174.38 1sql s VAL 95 N 1.09 2.65 -0.23 7.11 1.01 -0.36 -0.96 120.40 130.71 1sql s VAL 95 Ca 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1sql s VAL 95 Cb -0.15 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1sql s VAL 95 CO -0.01 0.50 -0.07 -0.54 0.00 0.00 0.00 175.10 174.98 1sql s LYS 96 N 1.13 3.01 -0.11 2.72 1.02 -0.16 -1.73 119.74 125.62 1sql s LYS 96 Ca 0.01 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.16 1sql s LYS 96 Cb -0.14 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1sql s LYS 96 CO -0.05 -0.32 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.69 1sql s LEU 97 N 1.37 1.95 0.17 3.17 2.96 -0.75 -0.54 118.68 127.01 1sql s LEU 97 Ca 0.02 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1sql s LEU 97 Cb -0.16 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1sql s LEU 97 CO -0.05 0.09 0.11 -0.44 -1.32 0.00 0.00 176.35 174.74 1sql s SER 98 N 0.67 0.21 -0.25 3.68 0.01 -0.03 -1.19 113.70 116.81 1sql s SER 98 Ca -0.12 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 55.87 1sql s SER 98 Cb -0.16 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.46 1sql s SER 98 CO 0.03 -0.80 -0.11 -0.54 0.41 0.00 0.00 173.24 172.23 1sql s LYS 99 N -4.10 2.54 0.41 12.44 1.02 0.39 -1.51 119.74 130.94 1sql s LYS 99 Ca 0.31 -1.15 0.22 0.00 0.02 0.00 0.00 55.97 55.37 1sql s LYS 99 Cb 0.07 -2.88 0.68 0.00 -0.52 0.00 0.00 37.83 35.18 1sql s LYS 99 CO 0.07 -0.46 1.72 -1.35 -0.92 0.00 0.00 175.35 174.41 1sql h PRO 100 N 7.88 0.00 -4.25 -1.68 0.11 -1.77 -2.48 132.00 129.80 1sql h PRO 100 Ca -0.28 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.21 1sql h PRO 100 Cb 1.08 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.79 1sql h PRO 100 CO 0.53 0.24 -0.75 -0.80 -0.21 0.00 0.00 178.00 177.01 1sql s ASN 101 N -6.22 4.24 -0.27 -2.05 0.01 -1.26 -4.64 114.94 104.75 1sql s ASN 101 Ca 0.02 -1.66 -0.11 0.00 -0.71 0.00 0.00 52.86 50.40 1sql s ASN 101 Cb 0.09 -1.26 -0.05 0.00 0.41 0.00 0.00 41.25 40.44 1sql s ASN 101 CO 0.66 -0.34 0.19 -0.69 -1.51 0.00 0.00 177.10 175.42 1sql s VAL 102 N 1.28 5.31 0.23 1.60 1.01 -1.26 -4.99 120.40 123.58 1sql s VAL 102 Ca 0.05 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1sql s VAL 102 Cb -0.18 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 1sql s VAL 102 CO -0.12 0.27 1.28 0.00 0.00 0.00 0.00 175.10 176.53 1sql n ALA 103 N 4.87 0.42 0.00 5.51 0.00 -1.26 -2.29 120.51 127.76 1sql n ALA 103 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1sql n ALA 103 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 1.89 0.00 -4.62 0.00 4.77 -1.26 -4.99 117.00 112.79 1sql n LEU 104 Ca 0.12 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.66 1sql n LEU 104 Cb 0.30 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1sql n LEU 104 CO 0.62 0.00 1.70 -0.38 -1.33 0.00 0.00 177.39 178.00 1sql n ILE 105 N 0.00 0.53 0.85 -0.08 -0.00 -0.97 -4.85 119.36 114.84 1sql n ILE 105 Ca 0.00 -0.27 0.12 0.00 -0.00 0.00 0.00 62.75 62.60 1sql n ILE 105 Cb 0.00 -2.30 0.29 0.00 -0.00 0.00 0.00 39.64 37.63 1sql n ILE 105 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1sql n LYS 106 N 7.93 0.11 -3.06 0.38 5.02 -1.26 -4.91 118.16 122.36 1sql n LYS 106 Ca 0.26 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.41 1sql n LYS 106 Cb 0.39 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1sql n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sql s SER 107 N -3.46 5.69 0.27 4.39 1.04 -1.26 -5.09 113.70 115.28 1sql s SER 107 Ca 0.10 -0.39 -0.26 0.00 0.48 0.00 0.00 55.95 55.88 1sql s SER 107 Cb 0.16 -0.72 -0.09 0.00 0.10 0.00 0.00 66.02 65.47 1sql s SER 107 CO 0.67 -0.72 0.89 -0.89 0.98 0.00 0.00 173.24 174.17 1sql s THR 108 N -2.33 4.26 0.22 2.02 2.01 -1.26 -5.06 115.64 115.51 1sql s THR 108 Ca 0.54 1.77 -0.13 0.00 0.31 0.00 0.00 61.69 64.17 1sql s THR 108 Cb -0.10 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1sql s THR 108 CO 0.33 0.26 0.46 0.27 -0.69 0.00 0.00 174.62 175.25 1sql s ILE 109 N -1.47 0.02 -0.18 1.82 -4.36 -1.26 -5.06 121.20 110.69 1sql s ILE 109 Ca 0.46 -1.27 -0.19 0.00 -0.26 0.00 0.00 60.65 59.39 1sql s ILE 109 Cb -0.20 -2.01 -0.16 0.00 1.25 0.00 0.00 42.46 41.34 1sql s ILE 109 CO 0.25 -0.07 0.19 0.44 0.24 0.00 0.00 174.94 175.99 1sql h ASP 110 N 2.28 0.00 -4.69 4.36 3.32 -1.95 -3.50 116.42 116.24 1sql h ASP 110 Ca -0.27 -0.44 0.35 0.00 0.02 0.00 0.00 57.03 56.68 1sql h ASP 110 Cb 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 1sql h ASP 110 CO 0.37 1.26 0.97 -0.72 -1.72 0.00 0.00 179.24 179.41 1sql s TYR 111 N -2.29 -0.02 -0.03 4.55 -0.85 -1.26 -4.43 117.35 113.01 1sql s TYR 111 Ca -0.24 0.01 0.06 0.00 -0.52 0.00 0.00 57.07 56.38 1sql s TYR 111 Cb 0.04 0.50 -0.01 0.00 0.38 0.00 0.00 41.96 42.87 1sql s TYR 111 CO 0.51 -0.04 -0.22 -0.51 -1.52 0.00 0.00 175.55 173.76 1sql s LEU 112 N -2.36 2.03 0.00 -3.49 1.02 -0.94 -4.96 118.68 109.99 1sql s LEU 112 Ca 0.13 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1sql s LEU 112 Cb 0.02 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 45.04 1sql s LEU 112 CO -0.04 0.25 0.00 0.61 0.02 0.00 0.00 176.35 177.19 1sql n GLY 113 N 2.71 1.36 3.38 -3.19 0.00 -1.26 -0.46 105.19 107.74 1sql n GLY 113 Ca -0.16 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.35 1.93 -0.27 1.61 -7.23 -0.33 -5.00 120.40 108.75 1sql s VAL 114 Ca 0.00 -2.26 -0.01 0.00 -1.81 0.00 0.00 61.98 57.90 1sql s VAL 114 Cb 0.00 -2.14 0.13 0.00 0.56 0.00 0.00 36.38 34.93 1sql s VAL 114 CO 0.00 -0.52 0.30 -0.62 -0.31 0.00 0.00 175.10 173.95 1sql s ASP 115 N -3.38 1.40 0.14 4.85 3.68 -1.26 -1.81 116.67 120.30 1sql s ASP 115 Ca 0.25 -0.56 0.07 0.00 2.13 0.00 0.00 52.55 54.44 1sql s ASP 115 Cb -0.01 0.59 -0.04 0.00 -1.45 0.00 0.00 42.92 42.01 1sql s ASP 115 CO 0.09 -0.37 -0.04 0.27 0.13 0.00 0.00 175.17 175.25 1sql s ILE 116 N 2.39 3.61 -0.12 4.11 -5.25 -0.71 -4.97 121.20 120.26 1sql s ILE 116 Ca 0.09 -1.33 0.03 0.00 -0.99 0.00 0.00 60.65 58.45 1sql s ILE 116 Cb -0.14 -2.76 0.01 0.00 2.95 0.00 0.00 42.46 42.52 1sql s ILE 116 CO -0.28 -0.00 -0.20 0.12 -1.79 0.00 0.00 174.94 172.79 1sql s PHE 117 N -1.50 2.37 -0.02 1.37 5.36 -1.26 -1.22 117.98 123.08 1sql s PHE 117 Ca 0.25 -1.11 0.04 0.00 -0.96 0.00 0.00 56.93 55.15 1sql s PHE 117 Cb -0.10 -1.63 -0.01 0.00 -0.34 0.00 0.00 43.02 40.94 1sql s PHE 117 CO 0.17 -0.51 -0.14 1.03 -1.46 0.00 0.00 175.22 174.30 1sql s ARG 118 N 0.76 1.24 0.11 10.12 1.81 0.19 -5.00 118.95 128.19 1sql s ARG 118 Ca -0.10 -0.50 0.10 0.00 -1.72 0.00 0.00 55.73 53.51 1sql s ARG 118 Cb -0.16 -1.17 -0.04 0.00 -0.45 0.00 0.00 34.95 33.13 1sql s ARG 118 CO 0.01 0.27 -0.25 -0.65 -0.68 0.00 0.00 175.30 174.00 1sql s GLN 119 N -0.20 1.33 0.14 3.54 -0.21 -1.26 -0.80 119.66 122.21 1sql s GLN 119 Ca 0.03 -1.26 -0.19 0.00 0.02 0.00 0.00 55.36 53.95 1sql s GLN 119 Cb -0.07 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.21 1sql s GLN 119 CO 0.00 0.41 1.69 -0.09 -2.12 0.00 0.00 175.29 175.18 1sql h ARG 120 N 4.03 -0.01 -0.01 2.91 2.43 -1.86 -3.50 114.38 118.36 1sql h ARG 120 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1sql h ARG 120 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1sql h ARG 120 CO 0.40 -0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.94