#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 1.97 0.16 5.31 1.02 -1.26 -4.02 119.74 122.91 3dky s LYS 5 Ca 0.00 -1.14 -0.24 0.00 0.02 0.00 0.00 55.97 54.60 3dky s LYS 5 Cb 0.00 -2.19 0.06 0.00 -0.52 0.00 0.00 37.83 35.18 3dky s LYS 5 CO 0.00 0.48 0.84 0.00 -0.92 0.00 0.00 175.35 175.75 3dky s ALA 6 N -1.30 -1.57 -0.11 5.17 0.00 0.24 -4.89 121.76 119.31 3dky s ALA 6 Ca 0.21 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3dky s ALA 6 Cb -0.10 0.68 -0.24 0.00 0.00 0.00 0.00 23.12 23.46 3dky s ALA 6 CO 0.13 -0.94 0.40 0.54 0.00 0.00 0.00 175.76 175.88 3dky n ARG 7 N -0.42 0.71 -3.75 0.00 1.74 -1.26 -2.12 116.66 111.55 3dky n ARG 7 Ca -0.07 0.25 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 3dky n ARG 7 Cb 0.61 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 3dky n ARG 7 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dky s TYR 8 N -2.56 3.09 0.30 -1.55 2.02 -1.26 -0.43 117.35 116.95 3dky s TYR 8 Ca -0.17 -0.52 0.06 0.00 -0.37 0.00 0.00 57.07 56.07 3dky s TYR 8 Cb 0.07 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.33 3dky s TYR 8 CO 0.78 -0.40 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.26 3dky s PHE 9 N 1.60 2.02 0.02 2.71 0.40 -0.20 0.11 117.98 124.64 3dky s PHE 9 Ca 0.06 -0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 55.65 3dky s PHE 9 Cb -0.15 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 3dky s PHE 9 CO 0.03 0.27 0.01 -0.08 0.70 0.00 0.00 175.22 176.15 3dky s THR 10 N -3.01 0.12 0.35 0.64 -1.32 -0.84 -0.94 115.64 110.65 3dky s THR 10 Ca 0.31 -1.02 -0.09 0.00 -1.21 0.00 0.00 61.69 59.67 3dky s THR 10 Cb 0.05 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 3dky s THR 10 CO 0.13 -0.56 0.62 0.72 -2.21 0.00 0.00 174.62 173.32 3dky s PHE 11 N -1.91 0.58 -0.03 9.09 -0.12 -1.03 -1.63 117.98 122.93 3dky s PHE 11 Ca -0.12 -1.02 0.05 0.00 -0.05 0.00 0.00 56.93 55.79 3dky s PHE 11 Cb -0.06 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 3dky s PHE 11 CO -0.02 -1.32 -0.17 -0.51 -0.05 0.00 0.00 175.22 173.15 3dky s LEU 12 N -3.14 2.62 -0.15 -1.99 1.02 -1.26 -1.49 118.68 114.29 3dky s LEU 12 Ca 0.23 -0.28 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 3dky s LEU 12 Cb -0.03 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.63 3dky s LEU 12 CO 0.15 0.32 -0.04 -0.76 0.02 0.00 0.00 176.35 176.04 3dky s LEU 13 N -0.87 3.22 -0.22 1.79 1.43 0.07 -4.22 118.68 119.88 3dky s LEU 13 Ca 0.12 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 3dky s LEU 13 Cb -0.10 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3dky s LEU 13 CO 0.01 0.18 0.05 -0.31 0.23 0.00 0.00 176.35 176.51 3dky s TYR 14 N 0.30 3.09 0.56 0.29 1.51 -1.21 -0.91 117.35 120.99 3dky s TYR 14 Ca -0.04 -0.36 0.26 0.00 -1.01 0.00 0.00 57.07 55.92 3dky s TYR 14 Cb -0.14 -2.16 1.54 0.00 -0.11 0.00 0.00 41.96 41.08 3dky s TYR 14 CO 0.03 -0.24 2.09 -1.35 -1.11 0.00 0.00 175.55 174.98 3dky h PRO 15 N 7.74 0.00 0.00 -1.71 0.11 -1.91 -0.57 132.00 135.66 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 0.61 0.00 -0.17 -0.85 -0.21 0.00 0.00 178.00 177.38 3dky n GLU 16 N -4.07 0.22 -1.37 1.05 -0.00 -1.26 -3.61 120.64 111.59 3dky n GLU 16 Ca 0.02 0.14 -0.02 0.00 -0.00 0.00 0.00 57.16 57.30 3dky n GLU 16 Cb 0.33 -1.72 0.11 0.00 -0.00 0.00 0.00 31.44 30.16 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 -2.07 2.32 -3.95 -1.84 3.41 -0.24 -5.00 113.62 106.24 3dky n SER 17 Ca 0.05 -3.27 -0.16 0.00 -0.26 0.00 0.00 58.87 55.23 3dky n SER 17 Cb 0.41 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.96 0.40 1.16 -1.33 -4.36 -1.08 -3.97 121.20 109.05 3dky s ILE 18 Ca 0.39 -0.21 -0.17 0.00 -0.26 0.00 0.00 60.65 60.40 3dky s ILE 18 Cb 0.38 -0.34 0.18 0.00 1.25 0.00 0.00 42.46 43.93 3dky s ILE 18 CO -0.06 0.11 0.34 -2.65 0.24 0.00 0.00 174.94 172.92 3dky n PRO 19 N 2.98 -2.08 0.15 0.37 -0.02 -1.26 -4.90 135.00 130.23 3dky n PRO 19 Ca -0.13 -0.59 0.04 0.00 -2.02 0.00 0.00 63.50 60.80 3dky n PRO 19 Cb 0.58 -1.83 0.08 0.00 -0.02 0.00 0.00 33.50 32.30 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 -2.36 0.00 -0.38 2.55 4.64 -2.01 -3.09 113.55 112.89 3dky h SER 20 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3dky h SER 20 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3dky h SER 20 CO 0.41 0.45 0.00 -0.90 -0.87 0.00 0.00 176.83 175.92 3dky n ASP 21 N -3.25 3.44 -0.26 4.97 5.75 -1.26 -4.59 116.55 121.36 3dky n ASP 21 Ca 0.02 -2.39 0.07 0.00 -0.01 0.00 0.00 54.79 52.47 3dky n ASP 21 Cb 0.69 -0.52 0.20 0.00 -1.03 0.00 0.00 41.12 40.46 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 2.51 0.29 -0.56 2.11 5.08 -1.89 0.38 115.95 123.88 3dky h TRP 22 Ca 0.00 0.04 -0.01 0.00 1.08 0.00 0.00 58.89 60.00 3dky h TRP 22 Cb 1.16 -0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 27.28 3dky h TRP 22 CO 0.56 -0.10 0.30 1.49 -1.28 0.00 0.00 178.44 179.40 3dky h GLU 23 N 0.27 0.77 -0.01 0.12 4.81 -1.88 -0.56 114.58 118.10 3dky h GLU 23 Ca 0.44 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.40 3dky h GLU 23 Cb 0.76 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3dky h GLU 23 CO -0.53 0.57 -0.83 1.25 -0.73 0.00 0.00 179.01 178.74 3dky h LEU 24 N 0.78 0.24 -0.44 1.64 5.85 -1.43 -3.23 115.31 118.71 3dky h LEU 24 Ca 0.20 -0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 3dky h LEU 24 Cb 0.04 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3dky h LEU 24 CO -0.03 0.96 -0.64 0.11 -0.34 0.00 0.00 178.44 178.49 3dky h LYS 25 N 0.11 0.51 -0.34 1.25 1.57 0.46 -3.02 116.57 117.10 3dky h LYS 25 Ca -0.04 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 3dky h LYS 25 Cb 1.43 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 3dky h LYS 25 CO 0.12 0.98 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.86 3dky h LEU 26 N 0.37 0.53 -1.41 2.94 3.38 -1.30 -2.65 115.31 117.18 3dky h LEU 26 Ca -0.01 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 57.98 3dky h LEU 26 Cb 1.21 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 3dky h LEU 26 CO 0.12 0.64 0.55 -0.08 0.09 0.00 0.00 178.44 179.75 3dky h GLU 27 N 0.52 0.56 -0.17 1.13 4.81 -1.55 -2.70 114.58 117.19 3dky h GLU 27 Ca 0.10 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 3dky h GLU 27 Cb 0.42 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3dky h GLU 27 CO 0.02 0.37 -0.40 1.79 -0.73 0.00 0.00 179.01 180.06 3dky h THR 28 N 0.58 1.31 0.00 0.32 1.35 -1.48 -3.10 112.91 111.88 3dky h THR 28 Ca 0.42 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3dky h THR 28 Cb 0.78 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3dky h THR 28 CO -0.17 0.47 0.49 -0.07 -0.25 0.00 0.00 175.52 175.99 3dky h LEU 29 N 0.33 0.00 0.00 3.87 3.38 -1.57 -3.43 115.31 117.88 3dky h LEU 29 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dky h LEU 29 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3dky h LEU 29 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3dky n GLY 30 N -1.29 2.95 3.79 0.83 0.00 -1.17 -5.00 105.19 105.29 3dky n GLY 30 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.79 4.46 0.08 1.61 1.01 -1.26 -5.02 120.40 118.48 3dky s VAL 31 Ca 0.00 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 3dky s VAL 31 Cb 0.00 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3dky s VAL 31 CO 0.00 0.49 1.02 -2.84 0.00 0.00 0.00 175.10 173.78 3dky s PRO 32 N -1.23 4.60 0.07 2.72 0.02 -1.26 -4.64 135.00 135.28 3dky s PRO 32 Ca 0.35 1.53 0.03 0.00 0.02 0.00 0.00 61.00 62.93 3dky s PRO 32 Cb -0.22 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 30.88 3dky s PRO 32 CO 0.24 0.03 -0.08 -1.64 -0.33 0.00 0.00 177.00 175.22 3dky s MET 33 N 0.44 0.72 -0.06 5.54 -1.94 -0.87 -2.64 119.30 120.48 3dky s MET 33 Ca 0.51 -1.03 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 3dky s MET 33 Cb -0.24 -0.37 -0.00 0.00 2.01 0.00 0.00 34.83 36.23 3dky s MET 33 CO 0.30 0.05 -0.19 0.00 -0.01 0.00 0.00 175.02 175.16 3dky s ALA 34 N -2.26 1.73 -0.09 3.03 0.00 0.28 -0.63 121.76 123.83 3dky s ALA 34 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3dky s ALA 34 Cb -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3dky s ALA 34 CO -0.01 0.29 -0.19 0.42 0.00 0.00 0.00 175.76 176.27 3dky s ILE 35 N 0.10 1.72 1.06 0.00 1.01 0.45 0.17 121.20 125.71 3dky s ILE 35 Ca -0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 3dky s ILE 35 Cb -0.13 -1.51 0.22 0.00 0.01 0.00 0.00 42.46 41.05 3dky s ILE 35 CO 0.04 0.48 1.07 -0.94 0.00 0.00 0.00 174.94 175.59 3dky s SER 36 N 0.50 1.94 0.81 3.58 1.04 -0.12 -0.49 113.70 120.95 3dky s SER 36 Ca -0.17 1.49 -0.10 0.00 0.48 0.00 0.00 55.95 57.65 3dky s SER 36 Cb -0.17 -2.19 0.08 0.00 0.10 0.00 0.00 66.02 63.84 3dky s SER 36 CO 0.06 -3.60 1.11 -2.84 0.98 0.00 0.00 173.24 168.95 3dky s PRO 37 N -4.68 1.93 -0.30 4.02 0.02 -1.26 -4.65 135.00 130.07 3dky s PRO 37 Ca 0.67 1.28 -0.27 0.00 0.02 0.00 0.00 61.00 62.69 3dky s PRO 37 Cb -0.22 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 3dky s PRO 37 CO 0.61 -1.91 2.25 -1.17 -0.33 0.00 0.00 177.00 176.45 3dky s LEU 38 N -6.09 3.43 -1.27 -5.54 0.20 -1.26 -4.73 118.68 103.42 3dky s LEU 38 Ca 0.63 1.63 -0.19 0.00 0.69 0.00 0.00 54.13 56.89 3dky s LEU 38 Cb -0.19 -3.24 0.02 0.00 -0.43 0.00 0.00 46.19 42.36 3dky s LEU 38 CO 0.56 -2.20 1.84 1.41 -0.29 0.00 0.00 176.35 177.67 3dky n HIS 39 N 12.78 4.01 -0.04 5.38 8.25 0.42 -4.63 115.22 141.39 3dky n HIS 39 Ca 0.31 -2.50 0.04 0.00 -0.26 0.00 0.00 57.72 55.31 3dky n HIS 39 Cb 0.48 -2.59 -0.16 0.00 1.12 0.00 0.00 29.99 28.84 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 9.49 0.24 -2.22 0.41 3.85 -1.26 -2.46 116.55 124.61 3dky n ASP 40 Ca 0.48 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 54.27 3dky n ASP 40 Cb 0.45 1.66 0.11 0.00 -1.35 0.00 0.00 41.12 41.99 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 -2.37 2.59 -2.35 0.11 5.02 -1.26 -4.52 118.16 115.37 3dky n LYS 41 Ca -0.12 -3.27 -0.43 0.00 -2.02 0.00 0.00 58.31 52.47 3dky n LYS 41 Cb 0.72 -2.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 3dky n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dky s ASP 42 N -1.85 6.67 0.08 4.39 -0.00 -1.26 -4.74 116.67 119.95 3dky s ASP 42 Ca 0.61 1.41 -0.31 0.00 -0.00 0.00 0.00 52.55 54.26 3dky s ASP 42 Cb 0.49 -2.54 -0.10 0.00 -0.00 0.00 0.00 42.92 40.77 3dky s ASP 42 CO 0.03 -1.05 1.91 2.29 -0.00 0.00 0.00 175.17 178.35 3dky n LYS 43 N 7.24 2.82 -3.63 8.23 -0.00 -1.26 -0.53 118.16 131.03 3dky n LYS 43 Ca 0.15 1.03 -0.36 0.00 -0.00 0.00 0.00 58.31 59.13 3dky n LYS 43 Cb 0.46 -2.96 -0.06 0.00 -0.00 0.00 0.00 35.03 32.47 3dky n LYS 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3dky s SER 44 N 3.63 6.64 -0.04 -5.58 0.15 -1.01 -4.72 113.70 112.77 3dky s SER 44 Ca 0.86 0.77 0.15 0.00 0.70 0.00 0.00 55.95 58.43 3dky s SER 44 Cb -0.46 -2.17 0.51 0.00 -1.71 0.00 0.00 66.02 62.18 3dky s SER 44 CO 0.40 0.29 1.40 -1.54 1.20 0.00 0.00 173.24 174.99 3dky n SER 45 N 1.50 3.27 -4.77 5.45 3.41 -1.26 -4.86 113.62 116.35 3dky n SER 45 Ca -0.13 -2.16 -0.38 0.00 -0.26 0.00 0.00 58.87 55.94 3dky n SER 45 Cb 0.53 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3dky n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dky s ILE 46 N -1.51 3.84 0.30 -1.33 1.09 -1.26 -5.02 121.20 117.31 3dky s ILE 46 Ca 0.37 1.63 -0.29 0.00 -1.10 0.00 0.00 60.65 61.26 3dky s ILE 46 Cb 0.22 -3.95 -0.10 0.00 -1.06 0.00 0.00 42.46 37.57 3dky s ILE 46 CO 0.22 0.22 1.31 -0.75 -0.10 0.00 0.00 174.94 175.84 3dky s LYS 47 N -1.88 4.36 0.00 2.79 2.20 -1.26 -4.06 119.74 121.89 3dky s LYS 47 Ca 0.49 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3dky s LYS 47 Cb -0.24 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3dky s LYS 47 CO 0.31 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 3dky n GLY 48 N 1.20 2.05 3.69 5.54 0.00 -1.26 -4.97 105.19 111.43 3dky n GLY 48 Ca 0.02 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 3dky n GLY 48 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dky n GLN 49 N 0.00 2.22 -0.06 1.61 7.27 -1.26 -4.96 117.38 122.20 3dky n GLN 49 Ca 0.00 0.79 -0.05 0.00 0.07 0.00 0.00 57.00 57.81 3dky n GLN 49 Cb 0.00 -2.47 -0.04 0.00 2.41 0.00 0.00 30.24 30.14 3dky n GLN 49 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3dky h LYS 50 N 4.12 0.00 -6.60 3.69 3.64 -1.89 -3.43 116.57 116.10 3dky h LYS 50 Ca -0.46 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.27 3dky h LYS 50 Cb 1.26 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.91 3dky h LYS 50 CO 0.75 0.29 -0.77 0.71 -2.27 0.00 0.00 179.45 178.15 3dky s TYR 51 N -1.86 2.54 0.43 1.91 4.12 -1.26 -2.41 117.35 120.81 3dky s TYR 51 Ca -0.09 -0.26 -0.25 0.00 0.02 0.00 0.00 57.07 56.49 3dky s TYR 51 Cb 0.00 -1.29 -0.08 0.00 -1.52 0.00 0.00 41.96 39.07 3dky s TYR 51 CO 0.23 0.45 1.26 0.15 0.02 0.00 0.00 175.55 177.66 3dky s LYS 52 N -2.48 3.86 0.22 -0.62 1.02 0.31 -4.70 119.74 117.35 3dky s LYS 52 Ca 0.21 2.05 -0.11 0.00 0.02 0.00 0.00 55.97 58.14 3dky s LYS 52 Cb -0.09 -2.64 -0.08 0.00 -0.52 0.00 0.00 37.83 34.49 3dky s LYS 52 CO 0.12 -0.54 0.03 1.17 -0.92 0.00 0.00 175.35 175.21 3dky n LYS 53 N -0.09 0.00 -2.75 1.68 4.81 -1.26 -4.70 118.16 115.85 3dky n LYS 53 Ca 0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.07 3dky n LYS 53 Cb 0.45 -0.54 -0.03 0.00 0.02 0.00 0.00 35.03 34.93 3dky n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dky s ALA 54 N -0.93 3.30 0.23 3.14 0.00 -1.26 -4.89 121.76 121.35 3dky s ALA 54 Ca 0.32 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 3dky s ALA 54 Cb -0.33 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3dky s ALA 54 CO 0.34 -0.40 0.31 -3.38 0.00 0.00 0.00 175.76 172.63 3dky s HIS 55 N 1.49 0.77 0.04 0.00 -3.43 -1.03 -4.17 115.29 108.96 3dky s HIS 55 Ca 0.48 -1.06 0.08 0.00 -0.80 0.00 0.00 55.06 53.77 3dky s HIS 55 Cb -0.19 -0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 30.75 3dky s HIS 55 CO 0.22 -0.83 -0.24 0.71 -2.00 0.00 0.00 174.74 172.59 3dky s TYR 56 N -4.05 2.14 -0.12 0.38 2.02 -0.08 -0.43 117.35 117.20 3dky s TYR 56 Ca 0.31 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.57 3dky s TYR 56 Cb 0.03 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 3dky s TYR 56 CO 0.11 0.10 0.01 -1.01 -1.57 0.00 0.00 175.55 173.19 3dky s HIS 57 N -0.78 3.16 -0.05 2.71 3.76 -1.26 -0.75 115.29 122.08 3dky s HIS 57 Ca 0.10 0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.13 3dky s HIS 57 Cb -0.10 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 3dky s HIS 57 CO 0.02 0.29 -0.22 0.08 -0.85 0.00 0.00 174.74 174.06 3dky s VAL 58 N -0.34 1.81 -0.30 -0.90 1.01 -0.56 -0.95 120.40 120.17 3dky s VAL 58 Ca 0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3dky s VAL 58 Cb -0.12 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.76 3dky s VAL 58 CO 0.02 0.51 0.05 -0.22 0.00 0.00 0.00 175.10 175.46 3dky s LEU 59 N -0.12 3.92 -0.18 3.92 0.20 0.13 -2.48 118.68 124.08 3dky s LEU 59 Ca -0.03 -1.01 0.01 0.00 0.69 0.00 0.00 54.13 53.79 3dky s LEU 59 Cb -0.13 -1.81 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 3dky s LEU 59 CO 0.03 -0.24 -0.12 -0.47 -0.29 0.00 0.00 176.35 175.25 3dky s TYR 60 N 1.39 2.37 -0.31 5.38 6.14 -0.11 -0.55 117.35 131.65 3dky s TYR 60 Ca -0.01 -1.48 -0.04 0.00 0.64 0.00 0.00 57.07 56.17 3dky s TYR 60 Cb -0.18 -1.65 0.04 0.00 0.42 0.00 0.00 41.96 40.59 3dky s TYR 60 CO 0.01 -0.73 0.05 0.96 0.64 0.00 0.00 175.55 176.48 3dky s ILE 61 N 1.42 3.43 0.59 3.14 -4.36 -1.08 -1.03 121.20 123.31 3dky s ILE 61 Ca 0.01 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.04 3dky s ILE 61 Cb -0.15 -2.93 -0.03 0.00 1.25 0.00 0.00 42.46 40.60 3dky s ILE 61 CO -0.09 -0.10 1.15 0.00 0.24 0.00 0.00 174.94 176.13 3dky s ALA 62 N 1.35 2.57 0.10 2.27 0.00 0.42 -4.16 121.76 124.32 3dky s ALA 62 Ca -0.03 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 3dky s ALA 62 Cb -0.19 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3dky s ALA 62 CO 0.01 -1.05 1.70 -0.22 0.00 0.00 0.00 175.76 176.19 3dky h LYS 63 N 0.75 -0.18 -5.74 0.00 3.64 -1.96 -3.45 116.57 109.62 3dky h LYS 63 Ca -0.49 0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.29 3dky h LYS 63 Cb 1.27 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 33.00 3dky h LYS 63 CO 0.55 -0.12 -0.64 -0.80 -2.27 0.00 0.00 179.45 176.18 3dky s ASN 64 N -5.04 3.66 -0.30 4.20 0.01 -1.26 -5.07 114.94 111.14 3dky s ASN 64 Ca -0.14 -1.29 -0.27 0.00 -0.71 0.00 0.00 52.86 50.45 3dky s ASN 64 Cb 0.07 -0.35 -0.05 0.00 0.41 0.00 0.00 41.25 41.33 3dky s ASN 64 CO 0.66 -0.35 2.25 -2.84 -1.51 0.00 0.00 177.10 175.31 3dky s PRO 65 N -3.68 2.86 0.41 -0.60 0.02 -1.26 -4.66 135.00 128.09 3dky s PRO 65 Ca 0.34 1.83 0.05 0.00 0.02 0.00 0.00 61.00 63.23 3dky s PRO 65 Cb 0.06 -4.42 -0.06 0.00 0.02 0.00 0.00 34.50 30.10 3dky s PRO 65 CO 0.17 -2.42 0.03 0.14 -0.33 0.00 0.00 177.00 174.59 3dky s VAL 66 N 9.29 1.50 0.39 3.83 -7.23 -0.90 -4.72 120.40 122.55 3dky s VAL 66 Ca 0.99 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3dky s VAL 66 Cb -0.28 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 3dky s VAL 66 CO 0.32 0.00 0.60 0.42 -0.31 0.00 0.00 175.10 176.14 3dky s THR 67 N -2.94 4.80 0.23 5.32 -4.23 -1.26 -0.59 115.64 116.96 3dky s THR 67 Ca 0.29 -0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.30 3dky s THR 67 Cb 0.07 -3.76 0.20 0.00 1.34 0.00 0.00 72.50 70.35 3dky s THR 67 CO 0.14 -0.53 1.70 0.00 -0.54 0.00 0.00 174.62 175.39 3dky h ALA 68 N 0.61 0.83 0.00 3.99 0.00 -1.94 -2.56 119.26 120.19 3dky h ALA 68 Ca -0.49 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3dky h ALA 68 Cb 1.23 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3dky h ALA 68 CO 0.60 -0.31 -0.35 -0.44 0.00 0.00 0.00 179.25 178.75 3dky h ASP 69 N 0.27 0.00 0.29 0.00 5.19 -1.94 -2.63 116.42 117.60 3dky h ASP 69 Ca 0.36 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.70 3dky h ASP 69 Cb 0.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3dky h ASP 69 CO -0.46 0.35 -0.33 0.77 -3.12 0.00 0.00 179.24 176.45 3dky h SER 70 N 0.00 0.06 0.04 6.45 4.64 -1.85 -1.78 113.55 121.11 3dky h SER 70 Ca -0.00 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dky h SER 70 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3dky h SER 70 CO 0.05 0.39 -0.02 0.58 -0.87 0.00 0.00 176.83 176.95 3dky h VAL 71 N 0.05 0.95 -1.01 0.95 2.07 -1.53 -2.39 116.25 115.34 3dky h VAL 71 Ca 0.01 -1.58 0.26 0.00 0.82 0.00 0.00 66.70 66.20 3dky h VAL 71 Cb 0.61 1.76 -0.12 0.00 -1.52 0.00 0.00 31.29 32.01 3dky h VAL 71 CO 0.04 0.31 0.61 -0.09 0.02 0.00 0.00 177.57 178.46 3dky h ARG 72 N -0.96 0.51 0.00 1.57 2.43 -1.18 0.83 114.38 117.57 3dky h ARG 72 Ca -0.01 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 3dky h ARG 72 Cb 0.54 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3dky h ARG 72 CO 0.01 0.34 -1.34 0.87 -1.51 0.00 0.00 179.97 178.34 3dky h LYS 73 N 0.53 0.00 -0.49 0.20 1.57 -1.46 -2.30 116.57 114.61 3dky h LYS 73 Ca 0.65 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.40 3dky h LYS 73 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 3dky h LYS 73 CO -0.46 0.39 0.19 -0.22 -0.57 0.00 0.00 179.45 178.78 3dky h LYS 74 N 0.00 0.71 0.12 3.15 3.64 -0.37 -2.01 116.57 121.82 3dky h LYS 74 Ca -0.16 -0.10 -0.28 0.00 -1.27 0.00 0.00 60.65 58.83 3dky h LYS 74 Cb 1.65 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3dky h LYS 74 CO 0.06 0.60 -1.34 0.82 -2.27 0.00 0.00 179.45 177.32 3dky h ILE 75 N 0.70 1.39 0.81 2.00 1.08 -1.13 -3.28 117.51 119.09 3dky h ILE 75 Ca 0.17 -2.98 -0.04 0.00 -0.39 0.00 0.00 64.86 61.62 3dky h ILE 75 Cb 0.16 2.89 0.01 0.00 -3.07 0.00 0.00 36.82 36.80 3dky h ILE 75 CO -0.01 0.87 -0.39 0.11 -0.69 0.00 0.00 178.15 178.03 3dky h LYS 76 N 0.07 -1.05 -0.11 2.37 1.57 -1.27 -0.45 116.57 117.70 3dky h LYS 76 Ca -0.17 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dky h LYS 76 Cb 1.99 0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.54 3dky h LYS 76 CO 0.19 -0.69 0.00 1.28 -0.57 0.00 0.00 179.45 179.66 3dky n LEU 77 N -5.54 0.11 0.00 2.94 4.32 -0.77 0.22 117.00 118.28 3dky n LEU 77 Ca -0.15 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 3dky n LEU 77 Cb 0.44 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3dky n LEU 77 CO 0.38 0.03 -0.07 -0.11 -1.22 0.00 0.00 177.39 176.40 3dky n LEU 78 N 0.29 0.00 0.00 2.23 -0.00 -0.81 -4.89 117.00 113.82 3dky n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 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 -0.22 0.01 0.00 -1.96 4.77 -0.24 -4.96 117.00 114.41 3dky n LEU 79 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 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 0.05 3.30 0.00 -0.72 0.00 0.13 -4.40 105.19 103.56 3dky n GLY 80 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.34 0.04 -0.21 1.61 2.13 -1.25 -2.67 120.64 119.94 3dky n GLU 81 Ca 0.00 0.32 0.06 0.00 0.66 0.00 0.00 57.16 58.20 3dky n GLU 81 Cb 0.00 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 30.37 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 -1.41 2.69 0.08 5.31 4.81 -1.26 -4.76 118.16 123.62 3dky n LYS 82 Ca 0.02 -2.27 -0.22 0.00 -0.87 0.00 0.00 58.31 54.97 3dky n LYS 82 Cb 0.07 -1.43 -0.15 0.00 0.02 0.00 0.00 35.03 33.53 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 1.31 0.59 -2.89 3.14 4.64 -1.63 -3.45 113.55 115.25 3dky h SER 83 Ca 0.00 -0.84 -0.15 0.00 -0.47 0.00 0.00 61.79 60.33 3dky h SER 83 Cb 0.95 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 3dky h SER 83 CO 0.07 1.70 -0.14 0.00 -0.87 0.00 0.00 176.83 177.59 3dky n LEU 84 N -3.57 0.00 0.00 5.97 -0.00 -1.26 -3.31 117.00 114.82 3dky n LEU 84 Ca -0.22 -0.95 0.00 0.00 -0.00 0.00 0.00 56.01 54.84 3dky n LEU 84 Cb 1.07 0.49 0.00 0.00 -0.00 0.00 0.00 43.42 44.98 3dky n LEU 84 CO 0.52 -0.16 0.00 0.00 -0.00 0.00 0.00 177.39 177.76 3dky n ALA 85 N -2.32 0.00 -3.56 1.47 0.00 -1.26 -5.03 120.51 109.81 3dky n ALA 85 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3dky n ALA 85 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.07 3.05 -0.41 0.00 -2.45 -1.26 -5.04 119.30 113.12 3dky s MET 86 Ca 0.00 -2.60 -0.11 0.00 -1.25 0.00 0.00 55.69 51.73 3dky s MET 86 Cb 0.00 -4.02 0.05 0.00 1.25 0.00 0.00 34.83 32.11 3dky s MET 86 CO 0.00 -1.23 0.26 0.08 1.05 0.00 0.00 175.02 175.19 3dky s VAL 87 N -0.15 4.60 0.29 10.11 1.01 -1.26 -4.11 120.40 130.88 3dky s VAL 87 Ca 0.19 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3dky s VAL 87 Cb -0.15 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3dky s VAL 87 CO -0.06 -0.39 0.53 -1.10 0.00 0.00 0.00 175.10 174.07 3dky s GLN 88 N 1.53 3.58 -0.14 2.72 1.11 -0.65 -4.96 119.66 122.86 3dky s GLN 88 Ca 0.03 -0.13 -0.12 0.00 0.01 0.00 0.00 55.36 55.15 3dky s GLN 88 Cb -0.21 -2.68 -0.05 0.00 -1.01 0.00 0.00 33.01 29.06 3dky s GLN 88 CO 0.05 0.23 0.27 0.54 0.01 0.00 0.00 175.29 176.39 3dky s VAL 89 N -2.10 5.31 -0.06 1.09 0.11 -1.26 -1.98 120.40 121.50 3dky s VAL 89 Ca 0.42 0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 59.71 3dky s VAL 89 Cb -0.11 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 3dky s VAL 89 CO 0.31 0.46 0.80 -0.69 -3.33 0.00 0.00 175.10 172.65 3dky s VAL 90 N 0.01 4.97 -0.18 2.04 1.01 0.30 -4.91 120.40 123.65 3dky s VAL 90 Ca 0.16 1.64 0.14 0.00 0.00 0.00 0.00 61.98 63.93 3dky s VAL 90 Cb -0.13 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 3dky s VAL 90 CO 0.05 0.19 0.12 0.18 0.00 0.00 0.00 175.10 175.64 3dky n LEU 91 N 4.03 0.60 -3.77 3.92 4.32 -1.26 -4.62 117.00 120.22 3dky n LEU 91 Ca 0.02 0.05 -0.30 0.00 -0.02 0.00 0.00 56.01 55.75 3dky n LEU 91 Cb 0.51 0.22 -0.15 0.00 -1.62 0.00 0.00 43.42 42.38 3dky n LEU 91 CO 0.49 0.55 -0.33 0.21 -1.22 0.00 0.00 177.39 177.09 3dky s ASN 92 N -5.76 4.13 0.26 -1.43 3.84 -1.26 -5.01 114.94 109.71 3dky s ASN 92 Ca -0.13 -1.73 -0.03 0.00 0.21 0.00 0.00 52.86 51.18 3dky s ASN 92 Cb 0.07 -0.97 0.39 0.00 -0.55 0.00 0.00 41.25 40.18 3dky s ASN 92 CO 0.80 -0.41 1.87 0.58 -2.79 0.00 0.00 177.10 177.15 3dky h VAL 93 N 6.48 1.08 -0.66 -5.21 2.07 -1.89 -1.06 116.25 117.05 3dky h VAL 93 Ca -0.12 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3dky h VAL 93 Cb 1.01 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3dky h VAL 93 CO 0.48 0.21 0.41 -0.08 0.02 0.00 0.00 177.57 178.61 3dky h GLU 94 N 1.13 0.79 -0.60 1.57 4.81 -1.93 -1.68 114.58 118.67 3dky h GLU 94 Ca 0.42 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3dky h GLU 94 Cb 0.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3dky h GLU 94 CO -0.17 0.53 -0.00 -0.97 -0.73 0.00 0.00 179.01 177.66 3dky h ASN 95 N 0.82 1.04 0.48 1.04 -1.24 -1.66 -1.49 115.58 114.56 3dky h ASN 95 Ca 0.26 -0.29 -0.10 0.00 0.71 0.00 0.00 56.30 56.87 3dky h ASN 95 Cb -0.00 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 3dky h ASN 95 CO -0.10 1.09 -0.48 -0.03 -1.29 0.00 0.00 177.43 176.62 3dky h MET 96 N 0.96 0.00 -0.01 6.67 4.05 -1.06 -0.84 114.93 124.71 3dky h MET 96 Ca 0.17 -0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.43 3dky h MET 96 Cb 0.56 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 3dky h MET 96 CO 0.03 0.48 -0.71 -0.92 0.23 0.00 0.00 176.91 176.02 3dky h TYR 97 N 0.00 0.12 0.00 1.39 3.20 -0.81 -1.60 116.97 119.27 3dky h TYR 97 Ca -0.00 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 3dky h TYR 97 Cb 0.85 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3dky h TYR 97 CO 0.00 0.77 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.96 3dky h LEU 98 N 0.06 0.00 -0.61 2.82 3.38 -0.94 -3.05 115.31 116.97 3dky h LEU 98 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3dky h LEU 98 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3dky h LEU 98 CO 0.10 0.25 -0.55 0.22 0.09 0.00 0.00 178.44 178.56 3dky h TYR 99 N 0.00 0.00 -0.31 1.13 5.03 -0.21 0.09 116.97 122.70 3dky h TYR 99 Ca -0.00 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.40 3dky h TYR 99 Cb 1.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 3dky h TYR 99 CO 0.00 0.55 0.45 -0.07 -1.32 0.00 0.00 178.16 177.77 3dky h LEU 100 N 0.00 0.00 -3.01 2.82 3.38 -1.29 0.30 115.31 117.51 3dky h LEU 100 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dky h LEU 100 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dky h LEU 100 CO 0.07 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.95 3dky n THR 101 N -3.43 1.49 -1.96 0.22 -2.24 -1.00 -4.22 114.28 103.15 3dky n THR 101 Ca 0.05 -1.62 -0.14 0.00 -2.27 0.00 0.00 64.05 60.07 3dky n THR 101 Cb 0.59 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.82 -0.85 -1.04 4.78 8.25 0.10 -2.34 115.22 123.30 3dky n HIS 102 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3dky n HIS 102 Cb 0.49 -2.89 0.31 0.00 1.12 0.00 0.00 29.99 29.02 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 -2.43 3.70 -2.95 -0.41 1.02 -0.01 -3.99 120.64 115.57 3dky n GLU 103 Ca -0.16 -3.08 -0.19 0.00 -0.02 0.00 0.00 57.16 53.72 3dky n GLU 103 Cb 0.56 -2.14 0.03 0.00 -0.02 0.00 0.00 31.44 29.87 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 -1.26 5.37 0.15 1.62 1.04 -1.20 -4.88 113.70 114.54 3dky s SER 104 Ca 0.52 -0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 3dky s SER 104 Cb 0.42 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3dky s SER 104 CO 0.12 -1.04 1.81 0.11 0.98 0.00 0.00 173.24 175.21 3dky h LYS 105 N 0.36 0.47 0.38 4.02 1.57 -1.94 -0.06 116.57 121.38 3dky h LYS 105 Ca -0.37 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3dky h LYS 105 Cb 1.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3dky h LYS 105 CO 0.44 0.31 -0.35 0.38 -0.57 0.00 0.00 179.45 179.67 3dky h ASP 106 N 0.49 -0.93 -0.08 0.86 2.03 -1.96 -3.03 116.42 113.79 3dky h ASP 106 Ca 0.14 0.08 -0.12 0.00 -0.73 0.00 0.00 57.03 56.39 3dky h ASP 106 Cb -0.05 0.31 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 3dky h ASP 106 CO -0.04 -0.50 -0.33 0.00 -1.03 0.00 0.00 179.24 177.35 3dky h ALA 107 N -0.28 0.92 -0.24 4.15 0.00 -1.82 -2.69 119.26 119.30 3dky h ALA 107 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3dky h ALA 107 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3dky h ALA 107 CO -0.04 0.62 -0.11 0.82 0.00 0.00 0.00 179.25 180.53 3dky h ILE 108 N 0.49 1.21 0.00 0.00 2.04 -1.02 -1.63 117.51 118.60 3dky h ILE 108 Ca 0.05 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3dky h ILE 108 Cb 0.81 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3dky h ILE 108 CO 0.07 0.30 -0.17 0.00 0.00 0.00 0.00 178.15 178.34 3dky h ALA 109 N 1.51 0.91 -0.23 1.87 0.00 -1.44 -2.90 119.26 118.97 3dky h ALA 109 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dky h ALA 109 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dky h ALA 109 CO 0.02 0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.98 3dky n LYS 110 N -3.07 1.87 -3.08 0.00 5.02 -0.99 -4.97 118.16 112.95 3dky n LYS 110 Ca 0.03 -1.32 -0.22 0.00 -2.02 0.00 0.00 58.31 54.78 3dky n LYS 110 Cb 0.56 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.55 -3.95 -2.01 1.97 5.02 -0.66 -4.93 118.16 114.14 3dky n LYS 111 Ca 0.16 0.72 -0.32 0.00 -2.02 0.00 0.00 58.31 56.85 3dky n LYS 111 Cb 0.37 -5.49 0.01 0.00 -0.02 0.00 0.00 35.03 29.90 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 -5.74 3.32 -0.54 1.97 1.02 -0.90 -4.90 119.74 113.98 3dky s LYS 112 Ca 0.30 1.14 -0.27 0.00 0.02 0.00 0.00 55.97 57.17 3dky s LYS 112 Cb -0.15 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 3dky s LYS 112 CO 0.37 -0.80 1.97 -1.58 -0.92 0.00 0.00 175.35 174.39 3dky s HIS 113 N -2.56 1.55 0.22 3.18 5.65 -1.26 -4.91 115.29 117.17 3dky s HIS 113 Ca 0.62 0.92 -0.31 0.00 0.25 0.00 0.00 55.06 56.54 3dky s HIS 113 Cb -0.15 -3.99 -0.12 0.00 -1.18 0.00 0.00 32.58 27.15 3dky s HIS 113 CO 0.39 -2.49 1.67 0.08 -0.65 0.00 0.00 174.74 173.74 3dky s VAL 114 N 9.37 2.12 0.51 0.89 1.01 -1.26 -4.78 120.40 128.26 3dky s VAL 114 Ca 0.76 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.91 3dky s VAL 114 Cb -0.15 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.20 3dky s VAL 114 CO 0.24 0.01 0.55 -0.31 0.00 0.00 0.00 175.10 175.59 3dky s TYR 115 N 0.86 1.97 -0.34 5.22 1.51 -0.99 -5.04 117.35 120.54 3dky s TYR 115 Ca 0.71 -0.66 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 3dky s TYR 115 Cb -0.48 -2.13 0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3dky s TYR 115 CO 0.36 -0.61 1.10 0.34 -1.11 0.00 0.00 175.55 175.63 3dky s ASP 116 N -4.38 6.88 0.24 2.29 -1.08 -1.26 -4.89 116.67 114.47 3dky s ASP 116 Ca 0.49 0.98 0.19 0.00 -0.52 0.00 0.00 52.55 53.69 3dky s ASP 116 Cb -0.05 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.81 3dky s ASP 116 CO 0.30 -0.94 1.57 2.29 0.52 0.00 0.00 175.17 178.91 3dky n LYS 117 N 7.03 0.13 0.13 4.34 2.85 -1.26 -1.40 118.16 129.98 3dky n LYS 117 Ca 0.12 0.54 0.13 0.00 -1.05 0.00 0.00 58.31 58.05 3dky n LYS 117 Cb 0.47 -1.85 0.45 0.00 -0.65 0.00 0.00 35.03 33.45 3dky n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dky h ALA 118 N 2.09 1.00 0.00 0.58 0.00 -2.03 -3.07 119.26 117.84 3dky h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dky h ALA 118 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dky h ALA 118 CO 0.00 0.00 -0.64 -0.25 0.00 0.00 0.00 179.25 178.36 3dky n ASP 119 N -2.36 0.59 -4.66 0.00 8.00 -0.50 -4.87 116.55 112.76 3dky n ASP 119 Ca 0.04 -0.12 -0.46 0.00 0.71 0.00 0.00 54.79 54.96 3dky n ASP 119 Cb 0.34 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 -1.80 0.81 -4.74 0.53 5.41 -1.16 -4.22 119.36 114.20 3dky n ILE 120 Ca 0.04 -0.20 -0.33 0.00 1.00 0.00 0.00 62.75 63.26 3dky n ILE 120 Cb 0.39 -1.39 -0.14 0.00 -0.71 0.00 0.00 39.64 37.78 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 -0.23 3.39 -0.38 0.38 1.02 0.35 -4.94 119.74 119.33 3dky s LYS 121 Ca 0.70 -0.68 -0.09 0.00 0.02 0.00 0.00 55.97 55.92 3dky s LYS 121 Cb -0.68 -2.65 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 3dky s LYS 121 CO 0.49 0.20 0.19 -0.51 -0.92 0.00 0.00 175.35 174.79 3dky s LEU 122 N 0.40 4.72 0.19 3.17 1.43 -1.26 -0.41 118.68 126.91 3dky s LEU 122 Ca -0.10 -1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 51.63 3dky s LEU 122 Cb -0.16 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 3dky s LEU 122 CO 0.05 -0.41 0.72 -0.63 0.23 0.00 0.00 176.35 176.31 3dky s ILE 123 N 1.48 4.53 -1.28 -0.59 -1.09 0.20 -4.36 121.20 120.09 3dky s ILE 123 Ca 0.01 1.39 -0.07 0.00 -2.23 0.00 0.00 60.65 59.76 3dky s ILE 123 Cb -0.20 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3dky s ILE 123 CO 0.05 0.34 0.42 0.59 -1.23 0.00 0.00 174.94 175.10 3dky n ASN 124 N 1.09 -4.11 -0.97 3.58 3.02 -1.26 -2.06 115.26 114.56 3dky n ASN 124 Ca -0.04 -0.26 -0.07 0.00 -0.03 0.00 0.00 54.58 54.18 3dky n ASN 124 Cb 0.50 -3.40 0.01 0.00 -0.61 0.00 0.00 39.78 36.28 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 -2.23 -2.79 -4.62 6.41 4.13 -1.26 -4.61 115.26 110.28 3dky n ASN 125 Ca -0.05 -0.06 -0.45 0.00 1.68 0.00 0.00 54.58 55.70 3dky n ASN 125 Cb 0.57 -1.88 -0.02 0.00 -1.54 0.00 0.00 39.78 36.91 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 -3.77 1.58 -3.55 3.10 -0.00 -1.15 -4.97 117.46 108.69 3dky n PHE 126 Ca -0.05 0.64 -0.21 0.00 -0.00 0.00 0.00 57.45 57.82 3dky n PHE 126 Cb 0.55 -2.31 -0.15 0.00 -0.00 0.00 0.00 39.48 37.57 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 -0.33 1.72 0.61 -2.13 2.15 -1.26 -4.95 116.67 112.47 3dky s ASP 127 Ca 0.61 -0.34 0.30 0.00 0.43 0.00 0.00 52.55 53.55 3dky s ASP 127 Cb -0.69 0.11 1.65 0.00 -0.30 0.00 0.00 42.92 43.70 3dky s ASP 127 CO 0.58 -0.33 2.04 -0.29 -0.17 0.00 0.00 175.17 177.00 3dky h ILE 128 N 6.36 0.35 -0.96 4.11 6.09 -2.01 0.50 117.51 131.95 3dky h ILE 128 Ca -0.16 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.42 3dky h ILE 128 Cb 1.15 0.76 -0.07 0.00 0.47 0.00 0.00 36.82 39.13 3dky h ILE 128 CO 0.27 0.00 0.60 0.44 -3.07 0.00 0.00 178.15 176.39 3dky h ASP 129 N 0.00 0.92 0.00 2.19 3.32 -1.96 -2.26 116.42 118.63 3dky h ASP 129 Ca 0.10 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3dky h ASP 129 Cb 0.67 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3dky h ASP 129 CO -0.00 0.54 0.00 -2.11 -1.72 0.00 0.00 179.24 175.95 3dky n ARG 130 N -4.60 0.70 0.00 3.56 1.85 0.17 -3.05 116.66 115.30 3dky n ARG 130 Ca 0.16 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 57.03 3dky n ARG 130 Cb 0.26 -1.33 -0.00 0.00 -1.05 0.00 0.00 32.46 30.33 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 -0.83 0.00 -3.60 2.89 4.01 -0.85 -4.82 117.16 113.96 3dky n TYR 131 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 3dky n TYR 131 Cb 0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.88 4.48 0.89 -0.72 -7.23 -1.17 -4.76 120.40 111.01 3dky s VAL 132 Ca 0.03 -3.44 -0.12 0.00 -1.81 0.00 0.00 61.98 56.64 3dky s VAL 132 Cb 0.03 -3.80 0.17 0.00 0.56 0.00 0.00 36.38 33.34 3dky s VAL 132 CO 0.10 -1.04 1.23 0.28 -0.31 0.00 0.00 175.10 175.37 3dky s THR 133 N -0.84 2.04 0.12 5.32 -1.32 -1.26 -5.04 115.64 114.65 3dky s THR 133 Ca 0.24 -0.13 0.08 0.00 -1.21 0.00 0.00 61.69 60.67 3dky s THR 133 Cb -0.11 -2.91 -0.04 0.00 -1.51 0.00 0.00 72.50 67.93 3dky s THR 133 CO -0.09 0.00 -0.21 -1.48 -2.21 0.00 0.00 174.62 170.63 3dky s LEU 134 N -5.68 2.33 0.52 9.08 0.05 -1.26 -5.11 118.68 118.60 3dky s LEU 134 Ca 0.71 -0.72 -0.19 0.00 0.05 0.00 0.00 54.13 53.98 3dky s LEU 134 Cb -0.05 -0.90 -0.11 0.00 -2.05 0.00 0.00 46.19 43.08 3dky s LEU 134 CO 0.51 0.05 0.38 0.47 -0.55 0.00 0.00 176.35 177.21 3dky n ASP 135 N 0.93 -1.60 -0.18 1.48 8.00 -1.26 -4.68 116.55 119.24 3dky n ASP 135 Ca -0.18 0.76 -0.05 0.00 0.71 0.00 0.00 54.79 56.02 3dky n ASP 135 Cb 0.54 -1.09 0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3dky n ASP 135 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3dky h VAL 136 N 0.31 1.03 -0.45 2.53 2.07 -2.00 -2.09 116.25 117.65 3dky h VAL 136 Ca -0.43 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3dky h VAL 136 Cb 1.41 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3dky h VAL 136 CO 0.47 0.11 0.22 -0.33 0.02 0.00 0.00 177.57 178.06 3dky h GLU 137 N 0.60 0.42 -0.60 1.57 4.39 -2.00 0.24 114.58 119.20 3dky h GLU 137 Ca 0.22 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.02 3dky h GLU 137 Cb 0.05 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.51 3dky h GLU 137 CO -0.11 0.28 0.03 0.93 -1.16 0.00 0.00 179.01 178.98 3dky h GLU 138 N 0.43 0.15 -0.33 2.33 5.08 -1.75 0.34 114.58 120.83 3dky h GLU 138 Ca 0.20 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3dky h GLU 138 Cb 0.12 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3dky h GLU 138 CO -0.15 0.10 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.66 3dky h LYS 139 N 0.15 0.00 -0.71 2.33 3.64 -0.32 0.20 116.57 121.86 3dky h LYS 139 Ca 0.31 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3dky h LYS 139 Cb 0.50 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 3dky h LYS 139 CO -0.48 0.00 0.47 1.15 -2.27 0.00 0.00 179.45 178.31 3dky h THR 140 N 0.00 1.17 0.41 1.00 2.02 -0.05 0.13 112.91 117.59 3dky h THR 140 Ca 0.16 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3dky h THR 140 Cb 0.24 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3dky h THR 140 CO -0.34 0.17 -0.25 -0.08 0.37 0.00 0.00 175.52 175.39 3dky h GLU 141 N 0.95 -0.61 -0.74 6.66 4.81 0.16 -2.30 114.58 123.51 3dky h GLU 141 Ca 0.26 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3dky h GLU 141 Cb -0.10 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3dky h GLU 141 CO -0.06 -0.41 0.48 -0.07 -0.73 0.00 0.00 179.01 178.23 3dky h LEU 142 N -0.63 0.83 -1.01 1.64 3.38 -0.35 -1.63 115.31 117.54 3dky h LEU 142 Ca -0.04 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.05 3dky h LEU 142 Cb 0.52 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3dky h LEU 142 CO 0.04 0.60 0.63 0.15 0.09 0.00 0.00 178.44 179.95 3dky h PHE 143 N 0.98 1.13 0.00 1.13 3.57 -0.72 0.15 116.94 123.19 3dky h PHE 143 Ca 0.27 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3dky h PHE 143 Cb -0.10 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.28 3dky h PHE 143 CO -0.02 0.39 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.30 3dky h ASN 144 N 0.93 0.00 -0.06 0.41 -0.26 -0.75 -0.24 115.58 115.62 3dky h ASN 144 Ca 0.52 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 56.11 3dky h ASN 144 Cb 0.60 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3dky h ASN 144 CO -0.30 0.24 -0.57 0.58 -1.06 0.00 0.00 177.43 176.33 3dky h VAL 145 N 0.00 1.38 -0.48 2.81 2.07 -0.44 -2.70 116.25 118.90 3dky h VAL 145 Ca -0.00 -1.94 0.06 0.00 0.82 0.00 0.00 66.70 65.64 3dky h VAL 145 Cb 0.80 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 3dky h VAL 145 CO 0.03 0.58 0.32 0.58 0.02 0.00 0.00 177.57 179.10 3dky h VAL 146 N 0.05 0.97 0.14 2.57 2.07 0.22 0.24 116.25 122.52 3dky h VAL 146 Ca -0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3dky h VAL 146 Cb 1.24 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3dky h VAL 146 CO 0.11 0.07 -0.07 0.58 0.02 0.00 0.00 177.57 178.29 3dky h VAL 147 N 0.41 0.00 -1.00 2.57 2.07 -1.02 -1.45 116.25 117.83 3dky h VAL 147 Ca 0.21 -0.04 0.28 0.00 0.82 0.00 0.00 66.70 67.98 3dky h VAL 147 Cb 0.31 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 3dky h VAL 147 CO -0.05 0.00 0.71 0.77 0.02 0.00 0.00 177.57 179.02 3dky h SER 148 N -0.23 0.06 -0.38 0.57 4.64 -1.22 0.32 113.55 117.31 3dky h SER 148 Ca -0.02 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3dky h SER 148 Cb 0.15 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3dky h SER 148 CO 0.03 0.02 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.86 3dky h LEU 149 N 0.05 0.72 -0.59 5.97 3.38 -0.42 0.22 115.31 124.65 3dky h LEU 149 Ca 0.49 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3dky h LEU 149 Cb 1.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3dky h LEU 149 CO -0.04 0.91 -0.58 0.40 0.09 0.00 0.00 178.44 179.22 3dky h ILE 150 N 0.52 1.35 0.22 1.22 2.04 0.64 -2.61 117.51 120.90 3dky h ILE 150 Ca 0.10 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 3dky h ILE 150 Cb 0.59 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3dky h ILE 150 CO 0.03 0.57 -0.11 0.03 0.00 0.00 0.00 178.15 178.68 3dky h ARG 151 N 0.29 -0.28 -0.66 2.37 3.08 -0.91 -1.83 114.38 116.45 3dky h ARG 151 Ca -0.00 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.17 3dky h ARG 151 Cb 1.10 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.10 3dky h ARG 151 CO 0.10 -0.19 -0.38 0.00 -1.07 0.00 0.00 179.97 178.43 3dky h ALA 152 N -1.84 -0.13 -0.56 0.04 0.00 -0.98 -1.95 119.26 113.84 3dky h ALA 152 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dky h ALA 152 Cb 0.23 0.90 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dky h ALA 152 CO 0.05 -0.73 0.00 0.66 0.00 0.00 0.00 179.25 179.23 3dky n TYR 153 N -5.43 0.74 -3.88 0.00 4.01 -0.98 -4.95 117.16 106.68 3dky n TYR 153 Ca 0.04 -0.37 -0.25 0.00 -0.16 0.00 0.00 57.90 57.17 3dky n TYR 153 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.38 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 1.22 -3.54 -2.35 -0.72 -1.04 -0.73 -4.87 114.28 102.24 3dky n THR 154 Ca 0.20 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.05 61.26 3dky n THR 154 Cb 0.50 -3.01 -0.03 0.00 -1.82 0.00 0.00 70.33 65.98 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 -6.87 4.27 0.11 -4.42 1.43 -0.95 -4.90 118.68 107.34 3dky s LEU 155 Ca 0.02 1.90 0.26 0.00 -1.03 0.00 0.00 54.13 55.28 3dky s LEU 155 Cb -0.01 -3.55 0.79 0.00 0.03 0.00 0.00 46.19 43.45 3dky s LEU 155 CO 0.87 -0.69 1.67 0.00 0.23 0.00 0.00 176.35 178.43 3dky n GLN 156 N 5.71 0.16 -3.65 1.70 6.02 -1.26 -4.69 117.38 121.37 3dky n GLN 156 Ca 0.13 0.10 -0.02 0.00 -0.01 0.00 0.00 57.00 57.20 3dky n GLN 156 Cb 0.45 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 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 -3.85 -0.01 0.48 1.08 2.20 -1.26 -4.48 114.94 109.10 3dky s ASN 157 Ca 0.11 0.00 0.32 0.00 -0.94 0.00 0.00 52.86 52.35 3dky s ASN 157 Cb 0.15 0.01 1.75 0.00 -2.00 0.00 0.00 41.25 41.16 3dky s ASN 157 CO 0.62 -0.02 1.99 -0.29 -2.94 0.00 0.00 177.10 176.46 3dky h ILE 158 N 2.00 0.00 -0.02 0.54 2.10 -1.98 0.87 117.51 121.02 3dky h ILE 158 Ca -0.02 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.90 3dky h ILE 158 Cb 1.13 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 3dky h ILE 158 CO 0.18 0.00 -0.06 -0.26 -1.08 0.00 0.00 178.15 176.93 3dky h PHE 159 N 0.00 0.09 -0.60 2.19 0.05 -1.99 -1.88 116.94 114.80 3dky h PHE 159 Ca 0.00 -0.04 0.08 0.00 3.82 0.00 0.00 57.97 61.83 3dky h PHE 159 Cb 0.01 -0.02 -0.04 0.00 2.00 0.00 0.00 35.95 37.91 3dky h PHE 159 CO 0.00 0.70 0.40 -0.44 -0.18 0.00 0.00 178.31 178.79 3dky h ASP 160 N -0.54 0.43 -0.07 2.17 5.19 -1.27 0.49 116.42 122.82 3dky h ASP 160 Ca -0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3dky h ASP 160 Cb 0.71 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 3dky h ASP 160 CO 0.01 0.27 -0.01 0.25 -3.12 0.00 0.00 179.24 176.64 3dky h LEU 161 N 0.48 0.13 0.07 1.55 5.85 -1.26 -2.27 115.31 119.87 3dky h LEU 161 Ca 0.27 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3dky h LEU 161 Cb 0.44 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3dky h LEU 161 CO -0.08 0.46 -0.08 1.88 -0.34 0.00 0.00 178.44 180.28 3dky h TYR 162 N -0.20 -0.21 -1.00 1.25 0.05 -0.64 -1.52 116.97 114.71 3dky h TYR 162 Ca 0.02 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.02 3dky h TYR 162 Cb 0.40 0.08 -0.12 0.00 1.01 0.00 0.00 36.73 38.11 3dky h TYR 162 CO 0.05 -0.13 0.60 -0.44 -1.05 0.00 0.00 178.16 177.20 3dky h ASP 163 N -0.17 0.73 0.04 3.88 3.45 -0.92 0.16 116.42 123.59 3dky h ASP 163 Ca 0.01 0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.58 3dky h ASP 163 Cb 0.18 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3dky h ASP 163 CO -0.04 0.19 -0.02 0.15 -1.57 0.00 0.00 179.24 177.96 3dky h PHE 164 N 0.68 -0.05 -0.78 4.55 3.04 -0.75 -2.96 116.94 120.67 3dky h PHE 164 Ca 0.61 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.60 3dky h PHE 164 Cb 1.06 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.54 3dky h PHE 164 CO -0.01 0.27 0.51 0.82 -2.02 0.00 0.00 178.31 177.89 3dky h ILE 165 N -0.37 1.11 -0.66 1.41 1.08 -0.30 -2.24 117.51 117.54 3dky h ILE 165 Ca -0.01 -0.32 0.14 0.00 -0.39 0.00 0.00 64.86 64.28 3dky h ILE 165 Cb 0.34 0.08 -0.12 0.00 -3.07 0.00 0.00 36.82 34.06 3dky h ILE 165 CO 0.01 0.17 -0.04 0.44 -0.69 0.00 0.00 178.15 178.04 3dky h ASP 166 N 0.95 -0.37 0.00 1.72 3.45 -0.56 -0.17 116.42 121.43 3dky h ASP 166 Ca 0.31 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.95 3dky h ASP 166 Cb 0.07 0.32 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3dky h ASP 166 CO -0.09 -0.16 0.00 -0.62 -1.57 0.00 0.00 179.24 176.80 3dky n GLU 167 N -5.34 0.00 -0.09 3.56 1.02 -0.89 -4.41 120.64 114.50 3dky n GLU 167 Ca 0.10 0.43 0.02 0.00 -0.02 0.00 0.00 57.16 57.69 3dky n GLU 167 Cb 0.38 -0.92 0.06 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.87 0.99 0.01 1.62 4.13 -0.93 -4.46 115.26 114.75 3dky n ASN 168 Ca 0.00 -2.04 -0.09 0.00 1.68 0.00 0.00 54.58 54.13 3dky n ASN 168 Cb 0.00 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 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 5.49 -1.28 -0.21 7.41 0.00 -1.16 -2.33 103.07 111.00 3dky h GLY 169 Ca 0.00 0.66 0.29 0.00 0.00 0.00 0.00 47.33 48.28 3dky h GLY 169 CO 0.02 -0.37 0.72 0.83 0.00 0.00 0.00 176.54 177.74 3dky h GLU 170 N -0.35 0.26 -0.70 4.80 5.08 -1.78 0.72 114.58 122.61 3dky h GLU 170 Ca 0.01 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3dky h GLU 170 Cb 0.39 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3dky h GLU 170 CO -0.22 0.17 0.46 1.15 -1.00 0.00 0.00 179.01 179.57 3dky h THR 171 N 0.26 1.03 0.00 1.13 2.02 -1.75 0.13 112.91 115.73 3dky h THR 171 Ca 0.59 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.51 3dky h THR 171 Cb 1.74 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3dky h THR 171 CO -0.21 0.14 -1.02 -1.22 0.37 0.00 0.00 175.52 173.57 3dky n TYR 172 N -4.48 0.00 -1.38 3.16 4.02 -0.13 -4.97 117.16 113.38 3dky n TYR 172 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3dky n TYR 172 Cb 0.21 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.49 0.96 3.68 2.72 0.00 0.06 -5.08 105.19 109.03 3dky n GLY 173 Ca 0.04 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.21 3.38 0.00 0.99 1.43 -0.94 -4.95 118.68 118.37 3dky s LEU 174 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3dky s LEU 174 Cb 0.00 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dky s LEU 174 CO 0.00 0.08 0.01 0.35 0.23 0.00 0.00 176.35 177.02 3dky n THR 175 N -0.18 0.00 0.21 5.49 -2.24 -1.26 -3.59 114.28 112.71 3dky n THR 175 Ca -0.09 -0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 3dky n THR 175 Cb 0.55 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.13 0.01 0.00 2.28 1.08 -1.95 -2.87 117.51 117.19 3dky h ILE 176 Ca -0.15 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3dky h ILE 176 Cb 0.47 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 3dky h ILE 176 CO 0.25 0.00 0.04 0.59 -0.69 0.00 0.00 178.15 178.34 3dky n ASN 177 N -5.18 0.00 -0.13 1.72 3.02 -1.26 -1.13 115.26 112.31 3dky n ASN 177 Ca -0.08 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.40 3dky n ASN 177 Cb 0.24 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.10 2.32 -0.20 3.41 7.94 -1.20 -3.63 117.00 124.55 3dky n LEU 178 Ca 0.00 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 3dky n LEU 178 Cb 0.04 -0.80 0.11 0.00 0.53 0.00 0.00 43.42 43.30 3dky n LEU 178 CO 0.00 0.70 0.93 0.58 -1.11 0.00 0.00 177.39 178.49 3dky h VAL 179 N -0.53 0.67 -0.98 1.96 2.07 -0.89 0.65 116.25 119.19 3dky h VAL 179 Ca -0.61 -0.10 0.23 0.00 0.82 0.00 0.00 66.70 67.05 3dky h VAL 179 Cb 1.69 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 3dky h VAL 179 CO -0.26 0.05 0.64 0.78 0.02 0.00 0.00 177.57 178.80 3dky h ASN 180 N 0.28 0.45 1.00 0.57 2.35 -1.41 0.63 115.58 119.45 3dky h ASN 180 Ca 0.31 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3dky h ASN 180 Cb 0.45 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3dky h ASN 180 CO -0.38 0.14 -0.65 -0.08 -1.65 0.00 0.00 177.43 174.80 3dky h GLU 181 N 0.42 0.00 0.00 0.81 4.81 -1.00 -3.08 114.58 116.53 3dky h GLU 181 Ca 0.54 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.73 3dky h GLU 181 Cb 1.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 3dky h GLU 181 CO -0.24 0.00 -0.33 0.28 -0.73 0.00 0.00 179.01 177.99 3dky h VAL 182 N 0.00 0.46 0.00 0.32 2.07 0.16 -3.34 116.25 115.93 3dky h VAL 182 Ca 0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3dky h VAL 182 Cb 0.82 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3dky h VAL 182 CO 0.00 0.16 0.00 2.30 0.02 0.00 0.00 177.57 180.05 3dky n ILE 183 N -4.65 0.80 -1.70 4.57 -5.35 0.84 -4.67 119.36 109.20 3dky n ILE 183 Ca -0.09 0.19 -0.42 0.00 -0.27 0.00 0.00 62.75 62.16 3dky n ILE 183 Cb 0.26 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.23 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 -1.55 1.25 0.00 -1.28 0.00 -1.16 -1.33 120.51 116.43 3dky n ALA 184 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3dky n ALA 184 Cb 0.22 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 0.80 1.01 0.55 0.00 0.00 -1.26 -4.66 105.19 101.63 3dky n GLY 185 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.68 -0.11 1.61 4.76 -0.44 -4.38 118.16 120.29 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 -1.32 0.02 0.00 -1.84 0.00 0.00 35.03 31.89 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 0.03 0.86 -0.37 -0.18 1.35 -1.82 -1.57 112.91 111.22 3dky h THR 187 Ca 0.00 -0.08 0.03 0.00 -0.55 0.00 0.00 66.41 65.81 3dky h THR 187 Cb 0.37 0.60 -0.05 0.00 -1.73 0.00 0.00 68.15 67.35 3dky h THR 187 CO 0.00 0.04 -0.25 1.23 -0.25 0.00 0.00 175.52 176.29 3dky h GLY 188 N 0.24 -1.84 -0.91 5.82 0.00 -1.92 0.76 103.07 105.22 3dky h GLY 188 Ca 0.17 0.96 0.40 0.00 0.00 0.00 0.00 47.33 48.86 3dky h GLY 188 CO -0.19 -0.55 0.61 -2.75 0.00 0.00 0.00 176.54 173.65 3dky h PHE 189 N -0.04 0.80 0.28 5.60 3.04 -1.65 -0.96 116.94 124.01 3dky h PHE 189 Ca 0.06 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 3dky h PHE 189 Cb 0.19 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 3dky h PHE 189 CO -0.90 -0.35 -0.21 0.52 -2.02 0.00 0.00 178.31 175.35 3dky h MET 190 N 0.10 -0.47 -0.80 1.11 2.86 0.11 -2.42 114.93 115.42 3dky h MET 190 Ca 0.82 0.03 0.23 0.00 -2.06 0.00 0.00 59.70 58.72 3dky h MET 190 Cb 2.17 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 33.91 3dky h MET 190 CO -0.67 -0.32 0.59 -0.22 1.06 0.00 0.00 176.91 177.36 3dky h LYS 191 N -0.49 0.00 -0.26 1.72 1.63 -0.59 0.31 116.57 118.89 3dky h LYS 191 Ca -0.02 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 3dky h LYS 191 Cb 0.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3dky h LYS 191 CO 0.00 0.00 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.90 3dky h LEU 192 N 0.00 0.47 -0.37 5.20 4.07 -1.31 -2.33 115.31 121.04 3dky h LEU 192 Ca 0.38 -0.34 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 3dky h LEU 192 Cb 1.55 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 3dky h LEU 192 CO -0.00 0.70 0.09 -0.07 -1.08 0.00 0.00 178.44 178.08 3dky h LEU 193 N 0.23 0.57 -0.08 1.67 3.38 -0.19 0.61 115.31 121.51 3dky h LEU 193 Ca 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3dky h LEU 193 Cb 0.48 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3dky h LEU 193 CO 0.02 0.65 0.00 0.49 0.09 0.00 0.00 178.44 179.69 3dky n PHE 194 N -4.59 0.11 -0.07 1.13 3.72 0.30 -1.16 117.46 116.89 3dky n PHE 194 Ca -0.01 0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 3dky n PHE 194 Cb 0.20 -0.56 -0.14 0.00 -0.94 0.00 0.00 39.48 38.04 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 -1.59 1.38 0.04 4.37 8.00 -0.80 -2.22 116.55 125.72 3dky n ASP 195 Ca 0.04 0.08 -0.06 0.00 0.71 0.00 0.00 54.79 55.56 3dky n ASP 195 Cb 0.20 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 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 2.48 -1.23 0.07 0.44 0.00 -0.31 0.92 103.07 105.44 3dky h GLY 196 Ca -0.48 0.59 0.13 0.00 0.00 0.00 0.00 47.33 47.57 3dky h GLY 196 CO 0.01 -0.40 0.15 0.00 0.00 0.00 0.00 176.54 176.30 3dky h ALA 197 N -1.14 0.81 0.42 3.60 0.00 -1.28 0.25 119.26 121.91 3dky h ALA 197 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dky h ALA 197 Cb 0.29 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dky h ALA 197 CO -0.12 -0.31 -0.28 -0.92 0.00 0.00 0.00 179.25 177.62 3dky h TYR 198 N 0.27 -0.75 0.00 0.00 3.20 -0.94 -1.82 116.97 116.92 3dky h TYR 198 Ca 0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3dky h TYR 198 Cb 0.56 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3dky h TYR 198 CO -0.26 -0.41 0.00 0.00 -1.64 0.00 0.00 178.16 175.86 3dky n GLN 199 N -4.08 0.02 0.10 1.82 10.64 0.27 -1.20 117.38 124.97 3dky n GLN 199 Ca -0.08 0.38 -0.23 0.00 -1.83 0.00 0.00 57.00 55.24 3dky n GLN 199 Cb 0.28 -1.56 -0.15 0.00 -0.86 0.00 0.00 30.24 27.96 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 0.49 0.00 2.61 9.65 -0.21 -3.30 114.38 123.63 3dky h ARG 200 Ca 0.00 -0.78 -0.00 0.00 -1.10 0.00 0.00 59.98 58.10 3dky h ARG 200 Cb 0.15 0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3dky h ARG 200 CO 0.00 1.36 -0.02 0.66 2.80 0.00 0.00 179.97 184.78 3dky h SER 201 N 0.02 0.00 0.54 -3.80 4.64 -0.30 -2.63 113.55 112.02 3dky h SER 201 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3dky h SER 201 Cb 1.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 3dky h SER 201 CO 0.23 0.02 0.00 1.17 -0.87 0.00 0.00 176.83 177.38 3dky n LYS 202 N -3.11 0.03 0.13 4.77 4.81 -0.77 -3.36 118.16 120.67 3dky n LYS 202 Ca 0.02 0.20 -0.01 0.00 -0.87 0.00 0.00 58.31 57.65 3dky n LYS 202 Cb 0.41 -1.50 0.14 0.00 0.02 0.00 0.00 35.03 34.10 3dky n LYS 202 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3dky h ARG 203 N 0.00 0.00 -0.00 1.64 2.43 -1.56 -3.51 114.38 113.38 3dky h ARG 203 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dky h ARG 203 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3dky h ARG 203 CO 0.00 0.65 0.00 0.41 -1.51 0.00 0.00 179.97 179.52