#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dky s LYS 5 N 0.00 1.65 0.15 5.31 1.02 -1.26 -3.98 119.74 122.62 3dky s LYS 5 Ca 0.00 -1.25 -0.25 0.00 0.02 0.00 0.00 55.97 54.50 3dky s LYS 5 Cb 0.00 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 3dky s LYS 5 CO 0.00 0.47 0.81 0.00 -0.92 0.00 0.00 175.35 175.71 3dky s ALA 6 N -1.13 -1.58 -0.09 5.17 0.00 0.03 -4.88 121.76 119.28 3dky s ALA 6 Ca 0.17 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 3dky s ALA 6 Cb -0.10 0.69 -0.26 0.00 0.00 0.00 0.00 23.12 23.45 3dky s ALA 6 CO 0.09 -0.90 0.49 0.00 0.00 0.00 0.00 175.76 175.44 3dky h ARG 7 N 2.00 0.21 -4.97 0.00 3.08 -1.83 -2.25 114.38 110.61 3dky h ARG 7 Ca -0.25 -0.35 -0.64 0.00 0.07 0.00 0.00 59.98 58.81 3dky h ARG 7 Cb 1.25 0.13 -0.21 0.00 0.08 0.00 0.00 29.97 31.23 3dky h ARG 7 CO 0.29 1.04 -0.60 0.71 -1.07 0.00 0.00 179.97 180.33 3dky s TYR 8 N -2.57 3.12 0.25 3.04 2.02 -1.26 -1.02 117.35 120.93 3dky s TYR 8 Ca -0.17 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.30 3dky s TYR 8 Cb 0.07 -2.25 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 3dky s TYR 8 CO 0.79 -0.28 -0.02 -0.06 -1.57 0.00 0.00 175.55 174.42 3dky s PHE 9 N 1.52 1.73 0.04 2.71 0.40 -0.46 0.62 117.98 124.53 3dky s PHE 9 Ca 0.06 -0.85 -0.02 0.00 -0.60 0.00 0.00 56.93 55.52 3dky s PHE 9 Cb -0.15 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 3dky s PHE 9 CO 0.05 0.08 0.01 -0.08 0.70 0.00 0.00 175.22 175.97 3dky s THR 10 N -3.27 0.16 0.35 0.64 -1.32 -0.67 -0.70 115.64 110.83 3dky s THR 10 Ca 0.29 -1.32 -0.13 0.00 -1.21 0.00 0.00 61.69 59.33 3dky s THR 10 Cb 0.05 -0.95 0.03 0.00 -1.51 0.00 0.00 72.50 70.12 3dky s THR 10 CO 0.10 -0.73 0.67 0.72 -2.21 0.00 0.00 174.62 173.17 3dky s PHE 11 N -2.79 0.35 -0.07 9.09 -0.12 -1.06 -1.61 117.98 121.77 3dky s PHE 11 Ca -0.04 -0.86 0.03 0.00 -0.05 0.00 0.00 56.93 56.02 3dky s PHE 11 Cb -0.00 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 3dky s PHE 11 CO -0.06 -1.37 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.07 3dky s LEU 12 N -3.09 2.59 -0.18 -1.99 1.02 -1.26 -1.31 118.68 114.46 3dky s LEU 12 Ca 0.19 -0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.00 3dky s LEU 12 Cb -0.04 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 3dky s LEU 12 CO 0.13 0.29 0.00 -0.76 0.02 0.00 0.00 176.35 176.03 3dky s LEU 13 N -0.39 3.40 -0.26 1.79 1.43 -0.20 -4.22 118.68 120.23 3dky s LEU 13 Ca 0.04 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 3dky s LEU 13 Cb -0.12 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3dky s LEU 13 CO 0.02 0.13 0.13 -0.31 0.23 0.00 0.00 176.35 176.55 3dky s TYR 14 N 0.63 3.18 0.55 0.29 1.51 -1.19 -0.35 117.35 121.98 3dky s TYR 14 Ca -0.00 -0.08 0.24 0.00 -1.01 0.00 0.00 57.07 56.22 3dky s TYR 14 Cb -0.14 -2.29 1.48 0.00 -0.11 0.00 0.00 41.96 40.90 3dky s TYR 14 CO 0.02 -0.19 2.09 -1.35 -1.11 0.00 0.00 175.55 175.01 3dky h PRO 15 N 8.11 0.00 0.00 -1.71 0.11 -1.91 -1.57 132.00 135.03 3dky h PRO 15 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3dky h PRO 15 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dky h PRO 15 CO 0.58 0.00 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.51 3dky n GLU 16 N -4.19 0.27 -1.37 1.05 -0.00 -1.26 -3.72 120.64 111.43 3dky n GLU 16 Ca 0.03 0.22 -0.02 0.00 -0.00 0.00 0.00 57.16 57.38 3dky n GLU 16 Cb 0.34 -1.81 0.11 0.00 -0.00 0.00 0.00 31.44 30.08 3dky n GLU 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3dky n SER 17 N -2.28 2.32 -3.91 -1.84 3.41 -0.61 -5.01 113.62 105.70 3dky n SER 17 Ca 0.05 -3.28 -0.16 0.00 -0.26 0.00 0.00 58.87 55.23 3dky n SER 17 Cb 0.43 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3dky n SER 17 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3dky s ILE 18 N -2.97 0.32 1.11 -1.33 -4.36 -1.10 -3.89 121.20 108.99 3dky s ILE 18 Ca 0.39 -0.12 -0.18 0.00 -0.26 0.00 0.00 60.65 60.48 3dky s ILE 18 Cb 0.38 -0.31 0.11 0.00 1.25 0.00 0.00 42.46 43.89 3dky s ILE 18 CO -0.06 0.12 0.13 -2.65 0.24 0.00 0.00 174.94 172.72 3dky n PRO 19 N 3.31 -1.52 0.16 0.37 -0.02 -1.26 -4.89 135.00 131.15 3dky n PRO 19 Ca -0.17 -0.42 0.03 0.00 -2.02 0.00 0.00 63.50 60.92 3dky n PRO 19 Cb 0.56 -1.76 0.15 0.00 -0.02 0.00 0.00 33.50 32.43 3dky n PRO 19 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dky h SER 20 N -2.06 0.00 -0.40 2.55 4.64 -2.00 -3.00 113.55 113.28 3dky h SER 20 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3dky h SER 20 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3dky h SER 20 CO 0.39 0.47 0.00 -0.90 -0.87 0.00 0.00 176.83 175.92 3dky n ASP 21 N -3.35 3.40 -0.26 4.97 5.75 -1.26 -4.58 116.55 121.23 3dky n ASP 21 Ca 0.01 -2.36 0.06 0.00 -0.01 0.00 0.00 54.79 52.49 3dky n ASP 21 Cb 0.65 -0.50 0.18 0.00 -1.03 0.00 0.00 41.12 40.42 3dky n ASP 21 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3dky h TRP 22 N 2.56 0.12 -0.52 2.11 5.08 -1.87 -0.25 115.95 123.19 3dky h TRP 22 Ca 0.00 0.05 -0.00 0.00 1.08 0.00 0.00 58.89 60.02 3dky h TRP 22 Cb 1.12 0.06 -0.03 0.00 -3.00 0.00 0.00 29.16 27.32 3dky h TRP 22 CO 0.54 -0.18 0.31 1.49 -1.28 0.00 0.00 178.44 179.33 3dky h GLU 23 N 0.18 0.70 0.00 0.12 4.81 -1.87 0.50 114.58 119.01 3dky h GLU 23 Ca 0.43 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 3dky h GLU 23 Cb 0.76 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3dky h GLU 23 CO -0.60 0.50 -0.87 1.25 -0.73 0.00 0.00 179.01 178.55 3dky h LEU 24 N 0.72 0.04 -0.34 1.64 5.85 -1.50 -3.26 115.31 118.45 3dky h LEU 24 Ca 0.19 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.68 3dky h LEU 24 Cb -0.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3dky h LEU 24 CO -0.04 0.89 -0.66 0.11 -0.34 0.00 0.00 178.44 178.41 3dky h LYS 25 N 0.01 0.65 -0.27 1.25 1.57 0.67 -2.81 116.57 117.65 3dky h LYS 25 Ca -0.02 -0.47 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 3dky h LYS 25 Cb 1.54 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 3dky h LYS 25 CO 0.12 1.09 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.00 3dky h LEU 26 N 0.47 0.37 -1.64 2.94 3.38 -1.28 -2.60 115.31 116.96 3dky h LEU 26 Ca -0.02 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3dky h LEU 26 Cb 1.25 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3dky h LEU 26 CO 0.13 0.46 0.41 -0.08 0.09 0.00 0.00 178.44 179.44 3dky h GLU 27 N 0.39 0.39 -0.13 1.13 4.81 -1.53 -2.40 114.58 117.24 3dky h GLU 27 Ca 0.09 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 3dky h GLU 27 Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3dky h GLU 27 CO 0.01 0.26 -0.52 1.79 -0.73 0.00 0.00 179.01 179.81 3dky h THR 28 N 0.40 1.34 0.00 0.32 1.35 -1.47 -3.14 112.91 111.72 3dky h THR 28 Ca 0.28 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3dky h THR 28 Cb 0.57 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3dky h THR 28 CO -0.08 0.54 0.51 -0.07 -0.25 0.00 0.00 175.52 176.17 3dky h LEU 29 N 0.28 0.00 0.00 3.87 3.38 -1.52 -3.43 115.31 117.89 3dky h LEU 29 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dky h LEU 29 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3dky h LEU 29 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3dky n GLY 30 N -1.30 2.74 3.78 0.83 0.00 -1.19 -4.99 105.19 105.07 3dky n GLY 30 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3dky n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dky s VAL 31 N -2.49 4.50 0.08 1.61 1.01 -1.26 -5.01 120.40 118.85 3dky s VAL 31 Ca 0.00 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.24 3dky s VAL 31 Cb 0.00 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 3dky s VAL 31 CO 0.00 0.52 1.20 -2.84 0.00 0.00 0.00 175.10 173.98 3dky s PRO 32 N -1.02 4.44 0.09 2.72 0.02 -1.26 -4.68 135.00 135.31 3dky s PRO 32 Ca 0.34 1.79 0.04 0.00 0.02 0.00 0.00 61.00 63.18 3dky s PRO 32 Cb -0.22 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 3dky s PRO 32 CO 0.24 -0.23 -0.10 -1.64 -0.33 0.00 0.00 177.00 174.94 3dky s MET 33 N 0.86 0.83 -0.08 5.54 -1.94 -0.82 -2.84 119.30 120.86 3dky s MET 33 Ca 0.58 -1.15 0.04 0.00 -1.71 0.00 0.00 55.69 53.45 3dky s MET 33 Cb -0.30 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.03 3dky s MET 33 CO 0.30 0.08 -0.21 0.00 -0.01 0.00 0.00 175.02 175.18 3dky s ALA 34 N -2.43 1.87 -0.09 3.03 0.00 -0.27 -0.50 121.76 123.36 3dky s ALA 34 Ca 0.05 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3dky s ALA 34 Cb -0.03 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 3dky s ALA 34 CO -0.00 0.27 -0.23 0.42 0.00 0.00 0.00 175.76 176.21 3dky s ILE 35 N 0.28 2.00 0.98 0.00 1.01 0.10 -0.17 121.20 125.39 3dky s ILE 35 Ca -0.13 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 3dky s ILE 35 Cb -0.16 -1.72 0.18 0.00 0.01 0.00 0.00 42.46 40.77 3dky s ILE 35 CO 0.06 0.55 1.08 -0.94 0.00 0.00 0.00 174.94 175.69 3dky s SER 36 N 0.25 2.66 0.84 3.58 1.04 0.17 -0.44 113.70 121.81 3dky s SER 36 Ca -0.15 1.60 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 3dky s SER 36 Cb -0.17 -2.26 0.10 0.00 0.10 0.00 0.00 66.02 63.79 3dky s SER 36 CO 0.08 -3.17 1.12 -2.84 0.98 0.00 0.00 173.24 169.41 3dky s PRO 37 N -4.76 1.64 -0.27 4.02 0.02 -1.26 -4.67 135.00 129.71 3dky s PRO 37 Ca 0.65 1.35 -0.28 0.00 0.02 0.00 0.00 61.00 62.75 3dky s PRO 37 Cb -0.21 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 3dky s PRO 37 CO 0.59 -2.14 2.23 -1.17 -0.33 0.00 0.00 177.00 176.19 3dky s LEU 38 N -6.26 3.43 -1.22 -5.54 0.20 -1.26 -4.73 118.68 103.30 3dky s LEU 38 Ca 0.64 1.71 -0.19 0.00 0.69 0.00 0.00 54.13 56.98 3dky s LEU 38 Cb -0.20 -3.34 -0.01 0.00 -0.43 0.00 0.00 46.19 42.21 3dky s LEU 38 CO 0.57 -2.12 1.93 1.41 -0.29 0.00 0.00 176.35 177.85 3dky n HIS 39 N 12.39 3.48 -0.05 5.38 8.25 -0.26 -4.65 115.22 139.77 3dky n HIS 39 Ca 0.31 -2.36 0.02 0.00 -0.26 0.00 0.00 57.72 55.43 3dky n HIS 39 Cb 0.47 -2.46 -0.16 0.00 1.12 0.00 0.00 29.99 28.95 3dky n HIS 39 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3dky n ASP 40 N 9.24 0.09 -2.28 0.41 3.85 -1.26 -2.46 116.55 124.15 3dky n ASP 40 Ca 0.49 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 54.25 3dky n ASP 40 Cb 0.44 1.55 0.11 0.00 -1.35 0.00 0.00 41.12 41.86 3dky n ASP 40 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3dky n LYS 41 N -2.46 2.58 0.06 0.11 5.02 -1.26 -4.81 118.16 117.40 3dky n LYS 41 Ca -0.16 -3.23 -0.03 0.00 -2.02 0.00 0.00 58.31 52.86 3dky n LYS 41 Cb 0.82 -2.25 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 3dky n LYS 41 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3dky h ASP 42 N 1.72 -0.17 -3.28 4.39 3.45 -1.95 -3.43 116.42 117.14 3dky h ASP 42 Ca 0.61 0.01 -0.67 0.00 0.43 0.00 0.00 57.03 57.40 3dky h ASP 42 Cb 1.40 0.04 -0.32 0.00 -0.56 0.00 0.00 39.33 39.90 3dky h ASP 42 CO 1.43 0.08 -0.85 0.00 -1.57 0.00 0.00 179.24 178.33 3dky s ALA 54 N -3.25 2.30 0.24 3.45 0.00 -1.26 -5.13 121.76 118.11 3dky s ALA 54 Ca -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3dky s ALA 54 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3dky s ALA 54 CO 0.09 0.13 0.27 -3.38 0.00 0.00 0.00 175.76 172.86 3dky s HIS 55 N 0.57 1.02 0.05 0.00 -3.43 -1.03 -4.25 115.29 108.23 3dky s HIS 55 Ca -0.12 -1.24 0.09 0.00 -0.80 0.00 0.00 55.06 52.99 3dky s HIS 55 Cb -0.17 -0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 30.61 3dky s HIS 55 CO 0.04 -0.80 -0.26 0.71 -2.00 0.00 0.00 174.74 172.42 3dky s TYR 56 N -3.93 2.26 -0.16 0.38 2.02 0.53 -1.11 117.35 117.35 3dky s TYR 56 Ca 0.34 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 3dky s TYR 56 Cb 0.04 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3dky s TYR 56 CO 0.14 0.14 0.05 -1.01 -1.57 0.00 0.00 175.55 173.30 3dky s HIS 57 N -0.83 3.25 -0.07 2.71 3.76 -1.26 -1.04 115.29 121.81 3dky s HIS 57 Ca 0.11 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 3dky s HIS 57 Cb -0.10 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 3dky s HIS 57 CO 0.02 0.23 -0.20 0.08 -0.85 0.00 0.00 174.74 174.03 3dky s VAL 58 N 0.07 2.51 -0.33 -0.90 1.01 -0.43 -0.65 120.40 121.68 3dky s VAL 58 Ca 0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3dky s VAL 58 Cb -0.12 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.33 3dky s VAL 58 CO 0.01 0.56 0.09 -0.22 0.00 0.00 0.00 175.10 175.54 3dky s LEU 59 N -0.16 4.24 -0.22 3.92 0.20 0.76 -2.56 118.68 124.86 3dky s LEU 59 Ca -0.02 -1.16 0.02 0.00 0.69 0.00 0.00 54.13 53.66 3dky s LEU 59 Cb -0.14 -1.84 0.05 0.00 -0.43 0.00 0.00 46.19 43.83 3dky s LEU 59 CO 0.04 -0.31 -0.12 -0.47 -0.29 0.00 0.00 176.35 175.19 3dky s TYR 60 N 1.38 2.83 -0.38 5.38 6.14 0.12 -1.12 117.35 131.70 3dky s TYR 60 Ca -0.02 -1.91 -0.07 0.00 0.64 0.00 0.00 57.07 55.71 3dky s TYR 60 Cb -0.19 -1.81 0.06 0.00 0.42 0.00 0.00 41.96 40.44 3dky s TYR 60 CO 0.02 -0.81 0.18 0.96 0.64 0.00 0.00 175.55 176.54 3dky s ILE 61 N 1.26 3.94 0.67 3.14 -4.36 -1.13 -1.36 121.20 123.36 3dky s ILE 61 Ca -0.03 -1.32 -0.17 0.00 -0.26 0.00 0.00 60.65 58.87 3dky s ILE 61 Cb -0.17 -3.35 0.01 0.00 1.25 0.00 0.00 42.46 40.20 3dky s ILE 61 CO -0.08 -0.36 1.22 0.00 0.24 0.00 0.00 174.94 175.96 3dky s ALA 62 N 1.39 2.30 0.10 2.27 0.00 -0.19 -4.19 121.76 123.44 3dky s ALA 62 Ca 0.01 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 3dky s ALA 62 Cb -0.21 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 3dky s ALA 62 CO 0.02 -1.59 1.73 -0.22 0.00 0.00 0.00 175.76 175.70 3dky h LYS 63 N 0.21 0.00 -5.93 0.00 3.64 -1.96 -3.45 116.57 109.07 3dky h LYS 63 Ca -0.49 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 3dky h LYS 63 Cb 1.30 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 3dky h LYS 63 CO 0.52 0.00 -0.72 -0.80 -2.27 0.00 0.00 179.45 176.18 3dky s ASN 64 N -5.19 3.33 -0.41 4.20 0.01 -1.26 -5.08 114.94 110.54 3dky s ASN 64 Ca -0.13 -1.09 -0.29 0.00 -0.71 0.00 0.00 52.86 50.64 3dky s ASN 64 Cb 0.07 -0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.38 3dky s ASN 64 CO 0.67 -0.11 2.33 -2.65 -1.51 0.00 0.00 177.10 175.83 3dky n PRO 65 N -0.61 1.27 -4.61 -0.60 -0.02 -1.26 -4.69 135.00 124.47 3dky n PRO 65 Ca -0.06 0.24 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 3dky n PRO 65 Cb 0.61 -3.01 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 3dky n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dky s VAL 66 N 9.61 1.55 0.52 -1.45 -7.23 -0.85 -4.69 120.40 117.87 3dky s VAL 66 Ca 1.05 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.18 3dky s VAL 66 Cb -0.47 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 3dky s VAL 66 CO 0.36 0.00 0.80 0.42 -0.31 0.00 0.00 175.10 176.37 3dky s THR 67 N -2.89 4.14 0.21 5.32 -4.23 -1.26 -0.79 115.64 116.13 3dky s THR 67 Ca 0.28 -0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 3dky s THR 67 Cb 0.07 -3.59 0.16 0.00 1.34 0.00 0.00 72.50 70.48 3dky s THR 67 CO 0.14 -0.55 1.73 0.00 -0.54 0.00 0.00 174.62 175.40 3dky h ALA 68 N 0.10 0.77 0.00 3.99 0.00 -1.94 -3.08 119.26 119.10 3dky h ALA 68 Ca -0.46 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3dky h ALA 68 Cb 1.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3dky h ALA 68 CO 0.60 -0.25 -0.40 -0.44 0.00 0.00 0.00 179.25 178.76 3dky h ASP 69 N 0.34 0.00 0.60 0.00 5.19 -1.94 -2.59 116.42 118.03 3dky h ASP 69 Ca 0.32 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.66 3dky h ASP 69 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3dky h ASP 69 CO -0.36 0.40 -0.31 0.77 -3.12 0.00 0.00 179.24 176.63 3dky h SER 70 N 0.00 0.00 0.07 6.45 4.64 -1.93 -2.35 113.55 120.43 3dky h SER 70 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dky h SER 70 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dky h SER 70 CO 0.05 0.31 -0.03 0.58 -0.87 0.00 0.00 176.83 176.86 3dky h VAL 71 N 0.00 0.70 -1.01 0.95 2.07 -1.56 -2.87 116.25 114.53 3dky h VAL 71 Ca -0.00 -1.37 0.25 0.00 0.82 0.00 0.00 66.70 66.40 3dky h VAL 71 Cb 0.69 1.27 -0.12 0.00 -1.52 0.00 0.00 31.29 31.61 3dky h VAL 71 CO 0.04 0.22 0.60 -0.09 0.02 0.00 0.00 177.57 178.36 3dky h ARG 72 N -0.98 0.54 0.00 1.57 2.43 -1.38 -0.67 114.38 115.89 3dky h ARG 72 Ca -0.01 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 3dky h ARG 72 Cb 0.43 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3dky h ARG 72 CO 0.02 0.36 -1.09 0.87 -1.51 0.00 0.00 179.97 178.61 3dky h LYS 73 N 0.56 0.00 -0.40 0.20 1.57 -1.58 -2.44 116.57 114.47 3dky h LYS 73 Ca 0.64 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.35 3dky h LYS 73 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3dky h LYS 73 CO -0.46 0.48 -0.05 -0.22 -0.57 0.00 0.00 179.45 178.63 3dky h LYS 74 N 0.00 0.67 0.14 3.15 3.64 -0.99 -1.92 116.57 121.26 3dky h LYS 74 Ca -0.10 -0.18 -0.28 0.00 -1.27 0.00 0.00 60.65 58.81 3dky h LYS 74 Cb 1.59 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.34 3dky h LYS 74 CO 0.07 0.72 -1.30 0.82 -2.27 0.00 0.00 179.45 177.49 3dky h ILE 75 N 0.63 1.43 0.83 2.00 1.08 -1.25 -3.29 117.51 118.94 3dky h ILE 75 Ca 0.12 -3.00 -0.04 0.00 -0.39 0.00 0.00 64.86 61.55 3dky h ILE 75 Cb 0.46 2.93 0.01 0.00 -3.07 0.00 0.00 36.82 37.15 3dky h ILE 75 CO 0.02 0.88 -0.40 0.11 -0.69 0.00 0.00 178.15 178.07 3dky h LYS 76 N 0.08 -1.07 -0.14 2.37 1.57 -1.39 -1.16 116.57 116.82 3dky h LYS 76 Ca -0.16 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dky h LYS 76 Cb 1.99 0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.55 3dky h LYS 76 CO 0.20 -0.72 0.00 1.28 -0.57 0.00 0.00 179.45 179.65 3dky n LEU 77 N -5.57 0.14 0.00 2.94 4.32 -0.73 -0.48 117.00 117.62 3dky n LEU 77 Ca -0.15 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 3dky n LEU 77 Cb 0.45 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3dky n LEU 77 CO 0.39 0.03 -0.05 -0.11 -1.22 0.00 0.00 177.39 176.44 3dky n LEU 78 N 0.18 0.00 0.00 2.23 -0.00 -0.88 -4.90 117.00 113.63 3dky n LEU 78 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3dky n LEU 78 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 3dky n LEU 78 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.57 3dky n LEU 79 N -0.18 0.00 0.00 -1.96 4.77 -0.49 -4.94 117.00 114.20 3dky n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dky n LEU 79 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dky n LEU 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3dky n GLY 80 N 0.00 3.44 0.00 -0.72 0.00 0.37 -4.35 105.19 103.93 3dky n GLY 80 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.40 3dky n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dky n GLU 81 N -0.44 0.01 -0.23 1.61 2.13 -1.25 -2.64 120.64 119.83 3dky n GLU 81 Ca 0.00 0.42 0.06 0.00 0.66 0.00 0.00 57.16 58.30 3dky n GLU 81 Cb 0.00 -1.50 0.17 0.00 0.27 0.00 0.00 31.44 30.38 3dky n GLU 81 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3dky n LYS 82 N -1.48 2.86 0.05 5.31 4.81 -1.26 -4.72 118.16 123.74 3dky n LYS 82 Ca 0.01 -2.22 -0.18 0.00 -0.87 0.00 0.00 58.31 55.05 3dky n LYS 82 Cb 0.04 -1.40 -0.14 0.00 0.02 0.00 0.00 35.03 33.55 3dky n LYS 82 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dky h SER 83 N 1.77 0.41 -3.40 3.14 4.64 -1.62 -3.45 113.55 115.05 3dky h SER 83 Ca 0.00 -0.64 -0.23 0.00 -0.47 0.00 0.00 61.79 60.45 3dky h SER 83 Cb 0.90 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 3dky h SER 83 CO 0.06 1.54 -0.22 0.00 -0.87 0.00 0.00 176.83 177.34 3dky n LEU 84 N -3.45 0.00 0.00 5.97 -0.00 -1.26 -3.15 117.00 115.11 3dky n LEU 84 Ca -0.20 -1.49 0.00 0.00 -0.00 0.00 0.00 56.01 54.31 3dky n LEU 84 Cb 1.05 0.73 0.00 0.00 -0.00 0.00 0.00 43.42 45.20 3dky n LEU 84 CO 0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 177.39 177.64 3dky n ALA 85 N -1.95 0.00 -3.73 1.47 0.00 -1.26 -5.03 120.51 110.00 3dky n ALA 85 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 3dky n ALA 85 Cb 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 3dky n ALA 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3dky s MET 86 N 0.00 2.47 -0.40 0.00 -2.45 -1.26 -5.04 119.30 112.62 3dky s MET 86 Ca 0.00 -2.44 -0.09 0.00 -1.25 0.00 0.00 55.69 51.91 3dky s MET 86 Cb 0.00 -3.70 0.06 0.00 1.25 0.00 0.00 34.83 32.44 3dky s MET 86 CO 0.00 -1.16 0.23 0.08 1.05 0.00 0.00 175.02 175.22 3dky s VAL 87 N 0.08 4.24 0.24 10.11 1.01 -1.26 -4.07 120.40 130.75 3dky s VAL 87 Ca 0.16 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 3dky s VAL 87 Cb -0.21 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3dky s VAL 87 CO -0.03 -0.40 0.50 -1.10 0.00 0.00 0.00 175.10 174.06 3dky s GLN 88 N 1.45 3.65 -0.15 2.72 1.11 -0.64 -4.96 119.66 122.84 3dky s GLN 88 Ca 0.02 -0.00 -0.15 0.00 0.01 0.00 0.00 55.36 55.24 3dky s GLN 88 Cb -0.22 -2.71 -0.04 0.00 -1.01 0.00 0.00 33.01 29.03 3dky s GLN 88 CO 0.03 0.31 0.35 0.54 0.01 0.00 0.00 175.29 176.53 3dky s VAL 89 N -1.92 5.27 0.03 1.09 0.11 -1.26 -1.67 120.40 122.04 3dky s VAL 89 Ca 0.43 0.67 -0.26 0.00 -2.93 0.00 0.00 61.98 59.89 3dky s VAL 89 Cb -0.11 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 3dky s VAL 89 CO 0.27 0.36 0.83 -0.69 -3.33 0.00 0.00 175.10 172.54 3dky s VAL 90 N 0.57 4.75 -0.21 2.04 1.01 0.20 -4.91 120.40 123.85 3dky s VAL 90 Ca 0.19 1.76 0.14 0.00 0.00 0.00 0.00 61.98 64.07 3dky s VAL 90 Cb -0.14 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 3dky s VAL 90 CO 0.06 0.31 0.03 0.18 0.00 0.00 0.00 175.10 175.67 3dky n LEU 91 N 3.12 0.77 -3.81 3.92 4.32 -1.26 -4.62 117.00 119.44 3dky n LEU 91 Ca -0.00 -0.01 -0.30 0.00 -0.02 0.00 0.00 56.01 55.68 3dky n LEU 91 Cb 0.50 0.13 -0.15 0.00 -1.62 0.00 0.00 43.42 42.28 3dky n LEU 91 CO 0.49 0.60 -0.35 0.21 -1.22 0.00 0.00 177.39 177.12 3dky s ASN 92 N -5.78 4.00 0.27 -1.43 2.47 -1.26 -5.00 114.94 108.21 3dky s ASN 92 Ca -0.16 -1.56 -0.03 0.00 0.42 0.00 0.00 52.86 51.53 3dky s ASN 92 Cb 0.07 -1.00 0.36 0.00 -1.45 0.00 0.00 41.25 39.23 3dky s ASN 92 CO 0.77 -0.37 1.89 0.58 -3.72 0.00 0.00 177.10 176.25 3dky h VAL 93 N 6.54 1.23 -0.70 -5.21 2.07 -1.91 -0.61 116.25 117.65 3dky h VAL 93 Ca -0.13 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3dky h VAL 93 Cb 1.03 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3dky h VAL 93 CO 0.46 0.26 0.28 -0.08 0.02 0.00 0.00 177.57 178.51 3dky h GLU 94 N 1.05 1.03 -0.25 1.57 4.81 -1.94 -2.11 114.58 118.75 3dky h GLU 94 Ca 0.26 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 3dky h GLU 94 Cb 0.06 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3dky h GLU 94 CO -0.04 0.84 -0.48 -0.97 -0.73 0.00 0.00 179.01 177.63 3dky h ASN 95 N 1.01 0.74 0.48 1.04 -1.24 -1.58 -1.68 115.58 114.35 3dky h ASN 95 Ca 0.24 -0.37 -0.09 0.00 0.71 0.00 0.00 56.30 56.79 3dky h ASN 95 Cb 0.19 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 3dky h ASN 95 CO -0.02 1.10 -0.43 -0.03 -1.29 0.00 0.00 177.43 176.76 3dky h MET 96 N 0.54 0.00 -0.03 6.67 4.05 -1.11 -1.57 114.93 123.48 3dky h MET 96 Ca 0.03 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.27 3dky h MET 96 Cb 1.03 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 3dky h MET 96 CO 0.10 0.43 -0.75 -0.92 0.23 0.00 0.00 176.91 175.99 3dky h TYR 97 N 0.00 0.29 0.00 1.39 3.20 -1.10 -2.43 116.97 118.32 3dky h TYR 97 Ca -0.00 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.63 3dky h TYR 97 Cb 0.78 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3dky h TYR 97 CO 0.00 0.88 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.85 3dky h LEU 98 N 0.13 0.00 -0.76 2.82 3.38 -1.20 -3.16 115.31 116.52 3dky h LEU 98 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3dky h LEU 98 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3dky h LEU 98 CO 0.11 0.48 -0.42 0.22 0.09 0.00 0.00 178.44 178.93 3dky h TYR 99 N 0.00 0.00 -0.56 1.13 5.03 -0.83 -1.09 116.97 120.66 3dky h TYR 99 Ca -0.00 0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.47 3dky h TYR 99 Cb 1.05 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.31 3dky h TYR 99 CO 0.00 0.42 0.47 -0.07 -1.32 0.00 0.00 178.16 177.66 3dky h LEU 100 N 0.00 0.00 -3.04 2.82 3.38 -1.42 -0.31 115.31 116.74 3dky h LEU 100 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dky h LEU 100 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3dky h LEU 100 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3dky n THR 101 N -4.02 1.61 -2.11 0.22 -2.24 -1.00 -4.22 114.28 102.52 3dky n THR 101 Ca 0.11 -1.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.14 3dky n THR 101 Cb 0.70 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3dky n THR 101 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dky n HIS 102 N -0.61 -1.13 -1.02 4.78 8.25 -0.13 -2.39 115.22 122.96 3dky n HIS 102 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3dky n HIS 102 Cb 0.57 -2.60 0.32 0.00 1.12 0.00 0.00 29.99 29.40 3dky n HIS 102 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dky n GLU 103 N -2.48 3.83 -3.13 -0.41 1.02 -0.45 -4.03 120.64 114.99 3dky n GLU 103 Ca -0.13 -3.08 -0.19 0.00 -0.02 0.00 0.00 57.16 53.74 3dky n GLU 103 Cb 0.54 -2.15 0.01 0.00 -0.02 0.00 0.00 31.44 29.82 3dky n GLU 103 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3dky s SER 104 N -1.22 5.74 0.18 1.62 1.04 -1.21 -4.88 113.70 114.97 3dky s SER 104 Ca 0.52 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 3dky s SER 104 Cb 0.42 -0.96 0.16 0.00 0.10 0.00 0.00 66.02 65.73 3dky s SER 104 CO 0.13 -0.68 1.77 0.11 0.98 0.00 0.00 173.24 175.54 3dky h LYS 105 N 0.64 0.43 0.08 4.02 1.57 -1.94 -0.11 116.57 121.27 3dky h LYS 105 Ca -0.43 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.34 3dky h LYS 105 Cb 1.27 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3dky h LYS 105 CO 0.50 0.28 -0.18 0.38 -0.57 0.00 0.00 179.45 179.86 3dky h ASP 106 N 0.44 -0.51 0.27 0.86 2.03 -1.96 -3.15 116.42 114.41 3dky h ASP 106 Ca 0.23 0.06 -0.18 0.00 -0.73 0.00 0.00 57.03 56.42 3dky h ASP 106 Cb 0.19 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 3dky h ASP 106 CO -0.19 -0.26 -0.70 0.00 -1.03 0.00 0.00 179.24 177.07 3dky h ALA 107 N 0.51 0.65 -0.49 4.15 0.00 -1.81 -2.92 119.26 119.34 3dky h ALA 107 Ca 0.03 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 3dky h ALA 107 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dky h ALA 107 CO -0.11 0.76 0.05 0.82 0.00 0.00 0.00 179.25 180.76 3dky h ILE 108 N 0.26 1.23 0.00 0.00 2.04 -1.06 -1.93 117.51 118.06 3dky h ILE 108 Ca -0.02 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3dky h ILE 108 Cb 1.26 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3dky h ILE 108 CO 0.12 0.33 -0.06 0.00 0.00 0.00 0.00 178.15 178.54 3dky h ALA 109 N 1.30 0.97 -0.17 1.87 0.00 -1.58 -2.53 119.26 119.12 3dky h ALA 109 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dky h ALA 109 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dky h ALA 109 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 3dky n LYS 110 N -2.87 1.78 -2.94 0.00 5.02 -1.02 -4.97 118.16 113.17 3dky n LYS 110 Ca 0.04 -1.18 -0.21 0.00 -2.02 0.00 0.00 58.31 54.95 3dky n LYS 110 Cb 0.51 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3dky n LYS 110 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dky n LYS 111 N 0.40 -3.65 -2.15 1.97 5.02 -0.77 -4.95 118.16 114.04 3dky n LYS 111 Ca 0.16 0.76 -0.33 0.00 -2.02 0.00 0.00 58.31 56.88 3dky n LYS 111 Cb 0.35 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 3dky n LYS 111 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dky s LYS 112 N -5.59 3.38 -0.48 1.97 1.02 -0.93 -4.90 119.74 114.20 3dky s LYS 112 Ca 0.24 1.29 -0.27 0.00 0.02 0.00 0.00 55.97 57.26 3dky s LYS 112 Cb -0.12 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 3dky s LYS 112 CO 0.30 -0.77 2.16 -1.58 -0.92 0.00 0.00 175.35 174.53 3dky s HIS 113 N -2.28 1.34 0.23 3.18 5.65 -1.26 -4.91 115.29 117.23 3dky s HIS 113 Ca 0.66 1.12 -0.32 0.00 0.25 0.00 0.00 55.06 56.77 3dky s HIS 113 Cb -0.17 -3.83 -0.12 0.00 -1.18 0.00 0.00 32.58 27.28 3dky s HIS 113 CO 0.33 -2.69 1.71 0.08 -0.65 0.00 0.00 174.74 173.52 3dky s VAL 114 N 10.27 2.00 0.43 0.89 1.01 -1.26 -4.77 120.40 128.98 3dky s VAL 114 Ca 0.87 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.93 3dky s VAL 114 Cb -0.18 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3dky s VAL 114 CO 0.26 0.00 0.48 -0.31 0.00 0.00 0.00 175.10 175.53 3dky s TYR 115 N 0.97 2.67 -0.25 5.22 1.51 -1.00 -5.04 117.35 121.42 3dky s TYR 115 Ca 0.73 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 56.03 3dky s TYR 115 Cb -0.50 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 3dky s TYR 115 CO 0.35 -0.30 1.16 0.34 -1.11 0.00 0.00 175.55 175.99 3dky s ASP 116 N -4.25 6.92 0.27 2.29 -1.08 -1.26 -4.91 116.67 114.65 3dky s ASP 116 Ca 0.51 1.33 0.21 0.00 -0.52 0.00 0.00 52.55 54.09 3dky s ASP 116 Cb -0.06 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.87 3dky s ASP 116 CO 0.30 -0.84 1.65 2.29 0.52 0.00 0.00 175.17 179.10 3dky n LYS 117 N 6.76 0.16 0.09 4.34 2.85 -1.26 -1.80 118.16 129.30 3dky n LYS 117 Ca 0.13 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 58.03 3dky n LYS 117 Cb 0.46 -1.88 0.45 0.00 -0.65 0.00 0.00 35.03 33.41 3dky n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dky n ALA 118 N -1.76 2.01 0.65 0.58 0.00 -1.26 -3.21 120.51 117.52 3dky n ALA 118 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3dky n ALA 118 Cb 0.13 -1.42 0.19 0.00 0.00 0.00 0.00 19.45 18.36 3dky n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dky n ASP 119 N -2.09 0.65 -4.65 0.00 8.00 -0.74 -4.90 116.55 112.81 3dky n ASP 119 Ca 0.04 0.07 -0.45 0.00 0.71 0.00 0.00 54.79 55.16 3dky n ASP 119 Cb 0.32 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3dky n ASP 119 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3dky n ILE 120 N -2.00 0.98 -4.64 0.53 5.41 -1.20 -4.21 119.36 114.24 3dky n ILE 120 Ca 0.04 -0.25 -0.33 0.00 1.00 0.00 0.00 62.75 63.21 3dky n ILE 120 Cb 0.42 -1.36 -0.15 0.00 -0.71 0.00 0.00 39.64 37.84 3dky n ILE 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3dky s LYS 121 N -0.46 3.27 -0.39 0.38 1.02 0.42 -4.94 119.74 119.04 3dky s LYS 121 Ca 0.68 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.86 3dky s LYS 121 Cb -0.68 -2.62 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 3dky s LYS 121 CO 0.51 0.09 0.20 -0.51 -0.92 0.00 0.00 175.35 174.72 3dky s LEU 122 N 0.64 4.83 0.14 3.17 1.43 -1.26 0.00 118.68 127.63 3dky s LEU 122 Ca -0.08 -1.34 -0.20 0.00 -1.03 0.00 0.00 54.13 51.48 3dky s LEU 122 Cb -0.16 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 3dky s LEU 122 CO 0.03 -0.45 0.66 -0.63 0.23 0.00 0.00 176.35 176.18 3dky s ILE 123 N 1.42 4.61 -1.43 -0.59 -1.09 0.35 -4.30 121.20 120.16 3dky s ILE 123 Ca 0.02 1.33 -0.10 0.00 -2.23 0.00 0.00 60.65 59.66 3dky s ILE 123 Cb -0.21 -3.94 0.07 0.00 -1.58 0.00 0.00 42.46 36.80 3dky s ILE 123 CO 0.03 0.44 0.68 0.59 -1.23 0.00 0.00 174.94 175.44 3dky n ASN 124 N 1.36 -4.50 -0.76 3.58 3.02 -1.26 -1.95 115.26 114.74 3dky n ASN 124 Ca -0.07 -0.52 -0.07 0.00 -0.03 0.00 0.00 54.58 53.90 3dky n ASN 124 Cb 0.50 -3.66 -0.00 0.00 -0.61 0.00 0.00 39.78 36.01 3dky n ASN 124 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dky n ASN 125 N -2.52 -2.62 -4.60 6.41 4.13 -1.26 -4.58 115.26 110.23 3dky n ASN 125 Ca -0.01 -0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.79 3dky n ASN 125 Cb 0.55 -1.93 -0.02 0.00 -1.54 0.00 0.00 39.78 36.84 3dky n ASN 125 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3dky n PHE 126 N -3.98 1.44 -3.57 3.10 -0.00 -1.19 -4.97 117.46 108.29 3dky n PHE 126 Ca -0.08 0.65 -0.24 0.00 -0.00 0.00 0.00 57.45 57.78 3dky n PHE 126 Cb 0.55 -2.29 -0.16 0.00 -0.00 0.00 0.00 39.48 37.58 3dky n PHE 126 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3dky s ASP 127 N -0.25 2.07 0.56 -2.13 2.15 -1.26 -4.95 116.67 112.86 3dky s ASP 127 Ca 0.65 -0.50 0.27 0.00 0.43 0.00 0.00 52.55 53.39 3dky s ASP 127 Cb -0.74 -0.06 1.48 0.00 -0.30 0.00 0.00 42.92 43.30 3dky s ASP 127 CO 0.56 -0.34 1.99 -0.29 -0.17 0.00 0.00 175.17 176.92 3dky h ILE 128 N 6.39 0.58 -0.04 4.11 6.09 -2.00 -1.00 117.51 131.63 3dky h ILE 128 Ca -0.16 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.37 3dky h ILE 128 Cb 1.15 0.72 -0.04 0.00 0.47 0.00 0.00 36.82 39.12 3dky h ILE 128 CO 0.29 0.00 -0.17 0.44 -3.07 0.00 0.00 178.15 175.64 3dky h ASP 129 N 0.00 -0.52 0.00 2.19 3.32 -1.94 0.07 116.42 119.54 3dky h ASP 129 Ca 0.21 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3dky h ASP 129 Cb 0.96 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3dky h ASP 129 CO -0.00 -0.23 0.00 -2.11 -1.72 0.00 0.00 179.24 175.18 3dky n ARG 130 N -5.31 0.02 0.00 3.56 1.85 -0.38 -1.54 116.66 114.86 3dky n ARG 130 Ca -0.04 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.83 3dky n ARG 130 Cb 0.23 -1.30 -0.01 0.00 -1.05 0.00 0.00 32.46 30.32 3dky n ARG 130 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dky n TYR 131 N -0.80 0.00 -3.58 2.89 4.01 -0.00 -4.83 117.16 114.84 3dky n TYR 131 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 3dky n TYR 131 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 3dky n TYR 131 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3dky s VAL 132 N -1.13 4.57 0.88 -0.72 -7.23 -0.59 -4.76 120.40 111.42 3dky s VAL 132 Ca 0.03 -3.43 -0.12 0.00 -1.81 0.00 0.00 61.98 56.64 3dky s VAL 132 Cb 0.03 -3.84 0.16 0.00 0.56 0.00 0.00 36.38 33.28 3dky s VAL 132 CO 0.14 -1.04 1.23 0.28 -0.31 0.00 0.00 175.10 175.39 3dky s THR 133 N -0.86 2.04 0.19 5.32 -1.32 -1.26 -5.01 115.64 114.75 3dky s THR 133 Ca 0.24 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.64 3dky s THR 133 Cb -0.11 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 67.89 3dky s THR 133 CO -0.09 0.00 0.01 -1.48 -2.21 0.00 0.00 174.62 170.85 3dky s LEU 134 N -5.68 2.06 0.62 9.08 0.05 -1.26 -5.15 118.68 118.41 3dky s LEU 134 Ca 0.70 -1.21 -0.12 0.00 0.05 0.00 0.00 54.13 53.54 3dky s LEU 134 Cb -0.06 -0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 43.96 3dky s LEU 134 CO 0.50 -0.58 1.03 -1.81 -0.55 0.00 0.00 176.35 174.95 3dky s ASP 135 N -3.21 6.07 0.28 1.48 1.01 -1.26 -4.89 116.67 116.15 3dky s ASP 135 Ca 0.27 1.52 -0.03 0.00 0.71 0.00 0.00 52.55 55.02 3dky s ASP 135 Cb 0.06 -2.49 0.39 0.00 1.01 0.00 0.00 42.92 41.89 3dky s ASP 135 CO 0.06 -0.97 1.91 0.58 0.21 0.00 0.00 175.17 176.96 3dky h VAL 136 N -0.13 1.22 -0.62 -1.27 2.07 -2.01 -2.42 116.25 113.10 3dky h VAL 136 Ca -0.45 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 3dky h VAL 136 Cb 1.20 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3dky h VAL 136 CO 0.60 0.25 0.14 -0.33 0.02 0.00 0.00 177.57 178.25 3dky h GLU 137 N 1.07 0.99 -0.33 1.57 4.39 -2.00 -2.29 114.58 117.99 3dky h GLU 137 Ca 0.27 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.80 3dky h GLU 137 Cb 0.01 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 3dky h GLU 137 CO -0.05 0.91 -0.08 0.93 -1.16 0.00 0.00 179.01 179.56 3dky h GLU 138 N 0.91 0.00 -0.32 2.33 5.08 -1.81 0.82 114.58 121.59 3dky h GLU 138 Ca 0.19 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3dky h GLU 138 Cb 0.37 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 3dky h GLU 138 CO 0.00 0.00 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.46 3dky h LYS 139 N 0.00 -0.29 -0.23 2.33 3.64 -1.00 0.15 116.57 121.17 3dky h LYS 139 Ca 0.16 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 3dky h LYS 139 Cb 0.24 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3dky h LYS 139 CO -0.34 -0.19 -0.14 1.15 -2.27 0.00 0.00 179.45 177.66 3dky h THR 140 N -0.30 0.58 -0.18 1.00 2.02 -1.08 0.94 112.91 115.88 3dky h THR 140 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 3dky h THR 140 Cb 0.54 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3dky h THR 140 CO -0.48 0.00 -0.24 -0.08 0.37 0.00 0.00 175.52 175.08 3dky h GLU 141 N -0.13 -0.27 -0.66 6.66 4.81 -0.13 -1.49 114.58 123.37 3dky h GLU 141 Ca 0.13 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3dky h GLU 141 Cb 0.32 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3dky h GLU 141 CO -0.31 -0.18 0.34 -0.07 -0.73 0.00 0.00 179.01 178.06 3dky h LEU 142 N -0.28 0.84 -1.06 1.64 3.38 -0.22 -1.39 115.31 118.22 3dky h LEU 142 Ca 0.12 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3dky h LEU 142 Cb 0.46 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3dky h LEU 142 CO -0.35 0.71 0.62 0.15 0.09 0.00 0.00 178.44 179.67 3dky h PHE 143 N 0.90 1.12 0.00 1.13 3.57 -0.15 0.33 116.94 123.85 3dky h PHE 143 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3dky h PHE 143 Cb 0.08 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 3dky h PHE 143 CO -0.00 0.53 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.56 3dky h ASN 144 N 1.05 0.00 0.01 0.41 -0.26 -0.26 -0.34 115.58 116.18 3dky h ASN 144 Ca 0.44 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.05 3dky h ASN 144 Cb 0.32 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 3dky h ASN 144 CO -0.20 0.13 -0.52 0.58 -1.06 0.00 0.00 177.43 176.36 3dky h VAL 145 N 0.00 1.47 -0.43 2.81 2.07 0.06 -2.87 116.25 119.37 3dky h VAL 145 Ca -0.00 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.50 3dky h VAL 145 Cb 0.59 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3dky h VAL 145 CO 0.02 0.60 0.29 0.58 0.02 0.00 0.00 177.57 179.07 3dky h VAL 146 N -0.24 0.92 0.00 2.57 2.07 0.04 0.20 116.25 121.81 3dky h VAL 146 Ca -0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3dky h VAL 146 Cb 1.26 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3dky h VAL 146 CO 0.10 0.05 0.00 0.52 0.02 0.00 0.00 177.57 178.26 3dky n VAL 147 N -4.47 0.00 -0.44 2.57 0.31 -0.22 -1.51 118.33 114.58 3dky n VAL 147 Ca 0.06 1.23 0.36 0.00 -0.01 0.00 0.00 64.34 65.98 3dky n VAL 147 Cb 0.30 -2.22 0.67 0.00 -0.91 0.00 0.00 33.84 31.68 3dky n VAL 147 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3dky h SER 148 N 0.00 0.20 -0.35 4.52 4.64 -1.32 0.38 113.55 121.62 3dky h SER 148 Ca 0.00 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3dky h SER 148 Cb 0.00 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3dky h SER 148 CO 0.00 -0.06 0.06 -0.07 -0.87 0.00 0.00 176.83 175.89 3dky h LEU 149 N 0.12 0.55 -0.80 5.97 3.38 -0.52 0.75 115.31 124.76 3dky h LEU 149 Ca 0.74 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 58.33 3dky h LEU 149 Cb 2.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 43.07 3dky h LEU 149 CO -0.25 0.66 -0.54 0.40 0.09 0.00 0.00 178.44 178.80 3dky h ILE 150 N 0.42 1.37 0.43 1.22 2.04 0.75 -2.66 117.51 121.08 3dky h ILE 150 Ca 0.11 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.09 3dky h ILE 150 Cb 0.34 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3dky h ILE 150 CO 0.01 0.54 -0.21 0.03 0.00 0.00 0.00 178.15 178.52 3dky h ARG 151 N 0.12 -0.55 -0.49 2.37 3.08 -0.93 -1.89 114.38 116.09 3dky h ARG 151 Ca -0.00 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3dky h ARG 151 Cb 1.00 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.08 3dky h ARG 151 CO 0.08 -0.37 -0.46 0.00 -1.07 0.00 0.00 179.97 178.15 3dky h ALA 152 N -1.55 -0.47 -0.51 0.04 0.00 -0.85 -2.28 119.26 113.65 3dky h ALA 152 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dky h ALA 152 Cb 0.44 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3dky h ALA 152 CO 0.10 -0.89 0.00 0.66 0.00 0.00 0.00 179.25 179.11 3dky n TYR 153 N -5.40 0.71 -3.92 0.00 4.01 -1.01 -4.94 117.16 106.61 3dky n TYR 153 Ca -0.00 -0.35 -0.30 0.00 -0.16 0.00 0.00 57.90 57.09 3dky n TYR 153 Cb 0.35 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.36 3dky n TYR 153 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3dky n THR 154 N 0.98 -3.60 -2.45 -0.72 -1.04 -0.76 -4.85 114.28 101.84 3dky n THR 154 Ca 0.17 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 3dky n THR 154 Cb 0.45 -2.93 -0.02 0.00 -1.82 0.00 0.00 70.33 66.01 3dky n THR 154 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dky s LEU 155 N -6.92 4.22 0.00 -4.42 1.43 -0.93 -4.91 118.68 107.15 3dky s LEU 155 Ca 0.17 1.74 0.27 0.00 -1.03 0.00 0.00 54.13 55.28 3dky s LEU 155 Cb -0.07 -3.55 0.90 0.00 0.03 0.00 0.00 46.19 43.50 3dky s LEU 155 CO 0.90 -0.67 1.67 0.00 0.23 0.00 0.00 176.35 178.48 3dky n GLN 156 N 5.93 0.31 -3.62 1.70 6.02 -1.26 -4.73 117.38 121.73 3dky n GLN 156 Ca 0.12 -0.14 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 3dky n GLN 156 Cb 0.46 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 3dky n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dky s ASN 157 N -2.78 -0.03 0.62 1.08 2.20 -1.26 -4.50 114.94 110.27 3dky s ASN 157 Ca 0.19 -0.01 0.31 0.00 -0.94 0.00 0.00 52.86 52.41 3dky s ASN 157 Cb 0.19 0.04 1.73 0.00 -2.00 0.00 0.00 41.25 41.20 3dky s ASN 157 CO 0.58 -0.06 2.06 -0.29 -2.94 0.00 0.00 177.10 176.45 3dky h ILE 158 N 2.00 0.28 -0.04 0.54 2.10 -1.98 0.83 117.51 121.23 3dky h ILE 158 Ca -0.09 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.83 3dky h ILE 158 Cb 1.14 0.78 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 3dky h ILE 158 CO 0.21 0.00 -0.04 -0.26 -1.08 0.00 0.00 178.15 176.98 3dky h PHE 159 N 0.00 0.13 -0.06 2.19 0.05 -1.99 -0.59 116.94 116.67 3dky h PHE 159 Ca 0.07 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.82 3dky h PHE 159 Cb 0.57 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.49 3dky h PHE 159 CO 0.00 0.56 -0.00 -0.44 -0.18 0.00 0.00 178.31 178.25 3dky h ASP 160 N -0.34 0.08 0.15 2.17 5.19 -1.28 -0.93 116.42 121.45 3dky h ASP 160 Ca 0.01 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 3dky h ASP 160 Cb 0.54 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3dky h ASP 160 CO 0.01 0.10 -0.07 0.25 -3.12 0.00 0.00 179.24 176.40 3dky h LEU 161 N 0.09 -0.18 0.07 1.55 5.85 -1.05 -2.62 115.31 119.02 3dky h LEU 161 Ca 0.02 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3dky h LEU 161 Cb 0.07 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3dky h LEU 161 CO 0.00 0.20 -0.39 1.88 -0.34 0.00 0.00 178.44 179.79 3dky h TYR 162 N -0.58 -1.09 -0.94 1.25 0.05 -0.83 -0.34 116.97 114.49 3dky h TYR 162 Ca -0.02 0.03 0.28 0.00 0.05 0.00 0.00 58.73 59.07 3dky h TYR 162 Cb 0.44 0.47 -0.15 0.00 1.01 0.00 0.00 36.73 38.50 3dky h TYR 162 CO 0.04 -0.48 0.39 -0.44 -1.05 0.00 0.00 178.16 176.62 3dky h ASP 163 N -0.59 0.23 -0.08 3.88 3.45 -1.26 0.37 116.42 122.43 3dky h ASP 163 Ca 0.04 0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.68 3dky h ASP 163 Cb 0.64 0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.62 3dky h ASP 163 CO -0.26 -0.15 -0.02 0.15 -1.57 0.00 0.00 179.24 177.39 3dky h PHE 164 N 0.26 0.17 -0.76 4.55 3.04 -0.89 -2.90 116.94 120.41 3dky h PHE 164 Ca 0.64 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.56 3dky h PHE 164 Cb 1.37 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.81 3dky h PHE 164 CO -0.15 0.47 0.50 0.82 -2.02 0.00 0.00 178.31 177.93 3dky h ILE 165 N -0.18 1.20 -0.70 1.41 1.08 0.86 -2.02 117.51 119.14 3dky h ILE 165 Ca 0.02 -0.37 0.14 0.00 -0.39 0.00 0.00 64.86 64.26 3dky h ILE 165 Cb 0.42 0.08 -0.10 0.00 -3.07 0.00 0.00 36.82 34.15 3dky h ILE 165 CO 0.01 0.19 0.20 0.44 -0.69 0.00 0.00 178.15 178.30 3dky h ASP 166 N 1.04 0.09 0.00 1.72 3.45 -0.20 0.20 116.42 122.71 3dky h ASP 166 Ca 0.28 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3dky h ASP 166 Cb -0.11 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3dky h ASP 166 CO -0.06 0.02 0.00 -0.62 -1.57 0.00 0.00 179.24 177.01 3dky n GLU 167 N -5.10 0.00 -0.10 3.56 1.02 -0.92 -4.42 120.64 114.67 3dky n GLU 167 Ca 0.13 0.39 0.04 0.00 -0.02 0.00 0.00 57.16 57.70 3dky n GLU 167 Cb 0.41 -0.89 0.10 0.00 -0.02 0.00 0.00 31.44 31.04 3dky n GLU 167 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dky n ASN 168 N -1.77 1.09 -0.18 1.62 4.13 -0.81 -4.45 115.26 114.90 3dky n ASN 168 Ca 0.00 -1.98 -0.12 0.00 1.68 0.00 0.00 54.58 54.15 3dky n ASN 168 Cb 0.00 -0.13 -0.09 0.00 -1.54 0.00 0.00 39.78 38.01 3dky n ASN 168 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3dky h GLY 169 N 5.54 -1.06 0.65 7.41 0.00 -0.71 -2.26 103.07 112.65 3dky h GLY 169 Ca 0.00 0.75 0.15 0.00 0.00 0.00 0.00 47.33 48.22 3dky h GLY 169 CO 0.00 -0.14 0.52 0.83 0.00 0.00 0.00 176.54 177.75 3dky h GLU 170 N -0.31 0.46 -0.86 4.80 5.08 -1.78 -0.33 114.58 121.65 3dky h GLU 170 Ca 0.08 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3dky h GLU 170 Cb 0.52 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3dky h GLU 170 CO -0.61 0.31 0.56 1.15 -1.00 0.00 0.00 179.01 179.41 3dky h THR 171 N 0.48 0.89 -0.02 1.13 2.02 -1.74 -0.07 112.91 115.59 3dky h THR 171 Ca 0.39 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3dky h THR 171 Cb 0.82 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3dky h THR 171 CO -0.14 0.13 -0.32 -1.22 0.37 0.00 0.00 175.52 174.35 3dky n TYR 172 N -4.54 0.00 -1.85 3.16 4.02 -0.50 -4.97 117.16 112.48 3dky n TYR 172 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3dky n TYR 172 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3dky n TYR 172 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dky n GLY 173 N 1.35 0.64 3.73 2.72 0.00 -0.04 -5.06 105.19 108.53 3dky n GLY 173 Ca 0.10 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 3dky n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dky s LEU 174 N -0.17 3.61 0.00 0.99 1.43 -0.79 -4.96 118.68 118.80 3dky s LEU 174 Ca 0.00 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3dky s LEU 174 Cb 0.00 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3dky s LEU 174 CO 0.00 0.14 0.04 0.35 0.23 0.00 0.00 176.35 177.12 3dky n THR 175 N 0.28 0.00 0.20 5.49 -2.24 -1.26 -3.70 114.28 113.05 3dky n THR 175 Ca -0.09 -1.34 -0.11 0.00 -2.27 0.00 0.00 64.05 60.24 3dky n THR 175 Cb 0.53 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 3dky n THR 175 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3dky h ILE 176 N 1.05 0.19 0.00 2.28 1.08 -1.94 -2.88 117.51 117.29 3dky h ILE 176 Ca -0.23 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 3dky h ILE 176 Cb 0.73 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3dky h ILE 176 CO 0.38 0.04 0.17 0.59 -0.69 0.00 0.00 178.15 178.64 3dky n ASN 177 N -5.16 0.00 -0.12 1.72 3.02 -1.26 -1.81 115.26 111.65 3dky n ASN 177 Ca -0.08 0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 54.53 3dky n ASN 177 Cb 0.26 -0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 3dky n ASN 177 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3dky n LEU 178 N -1.32 2.11 -0.19 3.41 7.94 -1.20 -3.25 117.00 124.50 3dky n LEU 178 Ca 0.00 0.28 -0.02 0.00 -1.11 0.00 0.00 56.01 55.17 3dky n LEU 178 Cb 0.17 -0.88 0.05 0.00 0.53 0.00 0.00 43.42 43.29 3dky n LEU 178 CO 0.00 0.58 0.74 0.58 -1.11 0.00 0.00 177.39 178.18 3dky h VAL 179 N -0.81 0.39 -0.91 1.96 2.07 -1.13 -0.39 116.25 117.42 3dky h VAL 179 Ca -0.61 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.15 3dky h VAL 179 Cb 1.61 0.39 -0.13 0.00 -1.52 0.00 0.00 31.29 31.64 3dky h VAL 179 CO -0.31 0.00 0.40 0.78 0.02 0.00 0.00 177.57 178.46 3dky h ASN 180 N -0.02 0.32 1.81 0.57 2.35 -1.55 0.77 115.58 119.82 3dky h ASN 180 Ca 0.28 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3dky h ASN 180 Cb 0.44 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3dky h ASN 180 CO -0.61 -0.03 -0.02 -0.08 -1.65 0.00 0.00 177.43 175.03 3dky h GLU 181 N 0.37 0.00 0.00 0.81 4.81 -1.15 -2.88 114.58 116.54 3dky h GLU 181 Ca 0.58 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.72 3dky h GLU 181 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3dky h GLU 181 CO -0.55 0.00 -0.55 0.28 -0.73 0.00 0.00 179.01 177.45 3dky h VAL 182 N 0.00 1.04 0.00 0.32 2.07 0.18 -3.34 116.25 116.52 3dky h VAL 182 Ca 0.00 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3dky h VAL 182 Cb 0.92 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3dky h VAL 182 CO 0.00 0.35 0.00 2.30 0.02 0.00 0.00 177.57 180.24 3dky n ILE 183 N -4.56 0.62 -1.63 4.57 -5.35 0.17 -4.70 119.36 108.49 3dky n ILE 183 Ca -0.17 0.03 -0.46 0.00 -0.27 0.00 0.00 62.75 61.88 3dky n ILE 183 Cb 0.48 -0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 37.53 3dky n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dky n ALA 184 N -1.67 0.25 0.00 -1.28 0.00 -1.09 -1.75 120.51 114.98 3dky n ALA 184 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3dky n ALA 184 Cb 0.30 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3dky n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dky n GLY 185 N 1.90 1.65 0.84 0.00 0.00 -1.26 -4.67 105.19 103.64 3dky n GLY 185 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dky n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dky n LYS 186 N 0.00 0.46 -0.25 1.61 4.76 -0.71 -4.29 118.16 119.73 3dky n LYS 186 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 3dky n LYS 186 Cb 0.00 -1.26 0.05 0.00 -1.84 0.00 0.00 35.03 31.98 3dky n LYS 186 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3dky h THR 187 N 0.36 1.22 -0.10 -0.18 1.35 -1.81 -2.53 112.91 111.22 3dky h THR 187 Ca 0.00 -0.57 0.01 0.00 -0.55 0.00 0.00 66.41 65.30 3dky h THR 187 Cb 0.39 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.11 3dky h THR 187 CO 0.00 0.25 -0.10 1.23 -0.25 0.00 0.00 175.52 176.65 3dky h GLY 188 N 0.96 -1.94 -0.87 5.82 0.00 -1.92 0.45 103.07 105.57 3dky h GLY 188 Ca 0.24 0.89 0.35 0.00 0.00 0.00 0.00 47.33 48.81 3dky h GLY 188 CO -0.04 -0.69 0.40 0.33 0.00 0.00 0.00 176.54 176.54 3dky n PHE 189 N -3.23 0.94 0.46 5.60 -0.00 -1.09 -1.17 117.46 118.98 3dky n PHE 189 Ca -0.00 1.04 -0.20 0.00 -0.00 0.00 0.00 57.45 58.28 3dky n PHE 189 Cb 0.06 -1.40 -0.10 0.00 -0.00 0.00 0.00 39.48 38.04 3dky n PHE 189 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 3dky h MET 190 N 0.00 -1.18 -1.24 -4.13 2.86 0.30 -2.57 114.93 108.97 3dky h MET 190 Ca 0.71 0.08 0.36 0.00 -2.06 0.00 0.00 59.70 58.78 3dky h MET 190 Cb 1.82 0.27 -0.06 0.00 0.06 0.00 0.00 31.60 33.68 3dky h MET 190 CO -0.70 -0.79 0.87 -0.22 1.06 0.00 0.00 176.91 177.13 3dky h LYS 191 N -1.23 0.07 -0.56 1.72 1.63 -0.40 1.05 116.57 118.86 3dky h LYS 191 Ca -0.12 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 3dky h LYS 191 Cb 0.97 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 3dky h LYS 191 CO 0.15 0.05 0.04 -0.07 -3.45 0.00 0.00 179.45 176.17 3dky h LEU 192 N 0.08 0.94 -0.23 5.20 4.07 -1.34 -1.33 115.31 122.69 3dky h LEU 192 Ca 0.62 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 58.24 3dky h LEU 192 Cb 2.28 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.76 3dky h LEU 192 CO -0.09 0.99 -0.05 -0.07 -1.08 0.00 0.00 178.44 178.14 3dky h LEU 193 N 0.85 0.45 -0.06 1.67 3.38 0.13 -0.55 115.31 121.19 3dky h LEU 193 Ca 0.16 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3dky h LEU 193 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dky h LEU 193 CO 0.02 0.71 0.00 0.49 0.09 0.00 0.00 178.44 179.75 3dky n PHE 194 N -4.58 0.07 -0.06 1.13 3.72 -0.10 -0.41 117.46 117.24 3dky n PHE 194 Ca -0.04 0.03 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 3dky n PHE 194 Cb 0.29 -0.54 -0.15 0.00 -0.94 0.00 0.00 39.48 38.14 3dky n PHE 194 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dky n ASP 195 N -1.56 0.49 0.43 4.37 8.00 -0.51 -2.47 116.55 125.30 3dky n ASP 195 Ca 0.04 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.60 3dky n ASP 195 Cb 0.19 0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.62 3dky n ASP 195 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3dky h GLY 196 N 3.73 -1.15 0.05 0.44 0.00 -0.18 -0.53 103.07 105.43 3dky h GLY 196 Ca -0.40 0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.44 3dky h GLY 196 CO 0.06 -0.42 -0.18 0.00 0.00 0.00 0.00 176.54 176.00 3dky h ALA 197 N -1.44 0.12 0.10 3.60 0.00 -0.88 0.28 119.26 121.04 3dky h ALA 197 Ca -0.11 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dky h ALA 197 Cb 0.85 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3dky h ALA 197 CO 0.19 -0.55 -0.15 -0.92 0.00 0.00 0.00 179.25 177.82 3dky h TYR 198 N -0.11 -0.43 0.00 0.00 3.20 -1.32 -1.01 116.97 117.30 3dky h TYR 198 Ca 0.19 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3dky h TYR 198 Cb 0.41 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3dky h TYR 198 CO -0.42 -0.19 0.00 0.00 -1.64 0.00 0.00 178.16 175.91 3dky n GLN 199 N -3.26 0.00 0.06 1.82 10.64 -0.22 -0.94 117.38 125.48 3dky n GLN 199 Ca -0.03 0.43 -0.21 0.00 -1.83 0.00 0.00 57.00 55.37 3dky n GLN 199 Cb 0.13 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.87 3dky n GLN 199 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 3dky h ARG 200 N 0.00 0.40 0.00 2.61 9.65 0.70 -3.28 114.38 124.46 3dky h ARG 200 Ca 0.00 -0.60 -0.02 0.00 -1.10 0.00 0.00 59.98 58.26 3dky h ARG 200 Cb 0.06 0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3dky h ARG 200 CO 0.00 1.27 -0.09 0.66 2.80 0.00 0.00 179.97 184.60 3dky h SER 201 N -0.17 0.00 0.45 -3.80 4.64 0.18 -2.31 113.55 112.54 3dky h SER 201 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3dky h SER 201 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 3dky h SER 201 CO 0.18 0.09 0.00 1.17 -0.87 0.00 0.00 176.83 177.40 3dky n LYS 202 N -3.18 0.14 0.00 4.77 4.81 -0.88 -5.12 118.16 118.70 3dky n LYS 202 Ca 0.01 0.16 0.13 0.00 -0.87 0.00 0.00 58.31 57.74 3dky n LYS 202 Cb 0.42 -1.50 0.78 0.00 0.02 0.00 0.00 35.03 34.76 3dky n LYS 202 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44