#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 2.03 0.14 5.31 1.02 -1.26 -3.91 119.74 123.07 3dky s LYS 5 Ca 0.00 -1.05 -0.25 0.00 0.02 0.00 0.00 55.97 54.69 3dky s LYS 5 Cb 0.00 -2.24 0.07 0.00 -0.52 0.00 0.00 37.83 35.14 3dky s LYS 5 CO 0.00 0.51 0.85 0.00 -0.92 0.00 0.00 175.35 175.79 3dky s ALA 6 N -1.14 -1.61 -0.15 5.17 0.00 0.19 -4.89 121.76 119.34 3dky s ALA 6 Ca 0.19 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.48 3dky s ALA 6 Cb -0.11 0.66 -0.23 0.00 0.00 0.00 0.00 23.12 23.44 3dky s ALA 6 CO 0.11 -0.92 0.25 0.54 0.00 0.00 0.00 175.76 175.73 3dky n ARG 7 N -0.40 0.70 -3.66 0.00 1.74 -1.26 -2.24 116.66 111.53 3dky n ARG 7 Ca -0.08 0.21 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 3dky n ARG 7 Cb 0.61 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.55 3.19 0.31 -1.55 2.02 -1.26 -0.49 117.35 117.02 3dky s TYR 8 Ca -0.20 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.50 3dky s TYR 8 Cb 0.07 -2.31 -0.06 0.00 -0.40 0.00 0.00 41.96 39.26 3dky s TYR 8 CO 0.75 -0.19 0.02 -0.06 -1.57 0.00 0.00 175.55 174.50 3dky s PHE 9 N 1.60 1.93 0.03 2.71 0.40 -0.36 0.59 117.98 124.88 3dky s PHE 9 Ca 0.07 -0.89 -0.00 0.00 -0.60 0.00 0.00 56.93 55.51 3dky s PHE 9 Cb -0.15 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 3dky s PHE 9 CO 0.08 0.08 -0.03 -0.08 0.70 0.00 0.00 175.22 175.96 3dky s THR 10 N -3.23 0.14 0.36 0.64 -1.32 -0.36 -1.31 115.64 110.56 3dky s THR 10 Ca 0.34 -1.13 -0.07 0.00 -1.21 0.00 0.00 61.69 59.62 3dky s THR 10 Cb 0.07 -0.57 0.02 0.00 -1.51 0.00 0.00 72.50 70.51 3dky s THR 10 CO 0.14 -0.62 0.58 0.72 -2.21 0.00 0.00 174.62 173.23 3dky s PHE 11 N -2.06 0.75 -0.06 9.09 -0.12 -1.02 -1.32 117.98 123.24 3dky s PHE 11 Ca -0.10 -1.13 0.05 0.00 -0.05 0.00 0.00 56.93 55.70 3dky s PHE 11 Cb -0.06 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.55 3dky s PHE 11 CO -0.03 -1.29 -0.20 -0.51 -0.05 0.00 0.00 175.22 173.14 3dky s LEU 12 N -3.18 2.38 -0.16 -1.99 1.02 -1.26 -1.52 118.68 113.96 3dky s LEU 12 Ca 0.25 -0.37 -0.04 0.00 0.02 0.00 0.00 54.13 53.99 3dky s LEU 12 Cb -0.02 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 3dky s LEU 12 CO 0.17 0.28 -0.02 -0.76 0.02 0.00 0.00 176.35 176.04 3dky s LEU 13 N -0.38 3.30 -0.25 1.79 1.43 -0.13 -4.21 118.68 120.24 3dky s LEU 13 Ca 0.03 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3dky s LEU 13 Cb -0.12 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3dky s LEU 13 CO 0.02 0.16 0.10 -0.31 0.23 0.00 0.00 176.35 176.55 3dky s TYR 14 N 0.44 3.13 0.55 0.29 1.51 -1.19 -0.44 117.35 121.64 3dky s TYR 14 Ca -0.03 -0.23 0.25 0.00 -1.01 0.00 0.00 57.07 56.05 3dky s TYR 14 Cb -0.14 -2.26 1.47 0.00 -0.11 0.00 0.00 41.96 40.91 3dky s TYR 14 CO 0.03 -0.26 2.04 -1.35 -1.11 0.00 0.00 175.55 174.89 3dky h PRO 15 N 8.15 0.00 0.00 -1.71 0.11 -1.91 -1.80 132.00 134.84 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 -0.04 1.05 -0.21 0.00 0.00 178.00 179.38 3dky h GLU 16 N 0.00 0.00 -0.09 1.05 -0.00 -1.94 -3.29 114.58 110.31 3dky h GLU 16 Ca 0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.42 3dky h GLU 16 Cb 0.74 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.34 3dky h GLU 16 CO -0.00 0.00 -0.69 -1.13 -0.00 0.00 0.00 179.01 177.19 3dky n SER 17 N -2.37 1.84 -3.90 3.06 3.41 -0.69 -5.00 113.62 109.96 3dky n SER 17 Ca 0.05 -3.36 -0.16 0.00 -0.26 0.00 0.00 58.87 55.14 3dky n SER 17 Cb 0.44 -0.45 -0.15 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 -2.60 0.33 1.08 -1.33 -4.36 -1.12 -3.96 121.20 109.24 3dky s ILE 18 Ca 0.38 -0.10 -0.18 0.00 -0.26 0.00 0.00 60.65 60.49 3dky s ILE 18 Cb 0.38 -0.33 0.08 0.00 1.25 0.00 0.00 42.46 43.83 3dky s ILE 18 CO -0.08 0.13 0.03 -2.65 0.24 0.00 0.00 174.94 172.61 3dky n PRO 19 N 3.45 -1.25 0.15 0.37 -0.02 -1.26 -4.89 135.00 131.55 3dky n PRO 19 Ca -0.19 -0.34 0.01 0.00 -2.02 0.00 0.00 63.50 60.96 3dky n PRO 19 Cb 0.55 -1.70 0.20 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.91 0.00 -0.40 2.55 4.64 -2.00 -2.98 113.55 113.44 3dky h SER 20 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 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 0.37 0.55 0.00 -0.90 -0.87 0.00 0.00 176.83 175.98 3dky n ASP 21 N -3.61 3.59 -0.28 4.97 5.68 -1.26 -4.55 116.55 121.09 3dky n ASP 21 Ca -0.00 -2.42 0.10 0.00 -0.50 0.00 0.00 54.79 51.97 3dky n ASP 21 Cb 0.61 -0.53 0.25 0.00 -1.14 0.00 0.00 41.12 40.31 3dky n ASP 21 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3dky h TRP 22 N 2.63 0.41 -0.44 2.11 5.08 -1.87 -0.03 115.95 123.85 3dky h TRP 22 Ca 0.00 0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.98 3dky h TRP 22 Cb 1.21 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 27.29 3dky h TRP 22 CO 0.59 -0.10 0.12 1.49 -1.28 0.00 0.00 178.44 179.26 3dky h GLU 23 N 0.30 0.64 0.02 0.12 4.81 -1.87 -0.52 114.58 118.08 3dky h GLU 23 Ca 0.50 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.41 3dky h GLU 23 Cb 0.92 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3dky h GLU 23 CO -0.55 0.57 -0.96 1.25 -0.73 0.00 0.00 179.01 178.59 3dky h LEU 24 N 0.63 0.13 -0.40 1.64 5.85 -1.59 -3.24 115.31 118.34 3dky h LEU 24 Ca 0.15 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3dky h LEU 24 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3dky h LEU 24 CO -0.01 1.01 -0.31 0.11 -0.34 0.00 0.00 178.44 178.90 3dky h LYS 25 N 0.04 0.91 -0.49 1.25 1.57 0.31 -2.93 116.57 117.23 3dky h LYS 25 Ca -0.04 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3dky h LYS 25 Cb 1.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 3dky h LYS 25 CO 0.14 1.11 0.27 -0.07 -0.57 0.00 0.00 179.45 180.32 3dky h LEU 26 N 0.73 0.59 -1.29 2.94 3.38 -1.27 -2.40 115.31 117.99 3dky h LEU 26 Ca 0.07 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.16 3dky h LEU 26 Cb 0.90 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3dky h LEU 26 CO 0.08 0.48 0.58 -0.08 0.09 0.00 0.00 178.44 179.59 3dky h GLU 27 N 0.68 0.65 -0.56 1.13 4.81 -1.54 -2.61 114.58 117.15 3dky h GLU 27 Ca 0.18 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3dky h GLU 27 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3dky h GLU 27 CO -0.03 0.43 -0.00 1.79 -0.73 0.00 0.00 179.01 180.47 3dky h THR 28 N 0.67 1.26 -0.07 0.32 1.35 -1.42 -3.08 112.91 111.95 3dky h THR 28 Ca 0.45 -1.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3dky h THR 28 Cb 0.76 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3dky h THR 28 CO -0.21 0.40 0.80 -0.07 -0.25 0.00 0.00 175.52 176.20 3dky h LEU 29 N 0.87 0.00 0.00 3.87 3.38 -1.55 -3.43 115.31 118.46 3dky h LEU 29 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dky h LEU 29 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dky h LEU 29 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3dky n GLY 30 N -1.43 2.64 3.79 0.83 0.00 -1.16 -5.00 105.19 104.85 3dky n GLY 30 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 4.57 0.07 1.61 1.01 -1.26 -5.01 120.40 118.66 3dky s VAL 31 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 3dky s VAL 31 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3dky s VAL 31 CO 0.00 0.53 1.07 -2.84 0.00 0.00 0.00 175.10 173.85 3dky s PRO 32 N -1.04 4.55 0.11 2.72 0.02 -1.26 -4.68 135.00 135.41 3dky s PRO 32 Ca 0.33 1.59 0.05 0.00 0.02 0.00 0.00 61.00 62.98 3dky s PRO 32 Cb -0.21 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 3dky s PRO 32 CO 0.23 -0.05 -0.12 -1.64 -0.33 0.00 0.00 177.00 175.09 3dky s MET 33 N 0.62 0.93 -0.08 5.54 -1.94 -0.82 -2.70 119.30 120.85 3dky s MET 33 Ca 0.53 -1.20 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 3dky s MET 33 Cb -0.26 -0.69 0.00 0.00 2.01 0.00 0.00 34.83 35.89 3dky s MET 33 CO 0.30 0.12 -0.22 0.00 -0.01 0.00 0.00 175.02 175.21 3dky s ALA 34 N -2.35 1.98 -0.11 3.03 0.00 0.25 -1.03 121.76 123.53 3dky s ALA 34 Ca 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3dky s ALA 34 Cb -0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 3dky s ALA 34 CO 0.01 0.28 -0.22 0.42 0.00 0.00 0.00 175.76 176.26 3dky s ILE 35 N 0.29 2.26 1.06 0.00 1.01 0.31 -0.11 121.20 126.02 3dky s ILE 35 Ca -0.15 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 3dky s ILE 35 Cb -0.17 -1.89 0.23 0.00 0.01 0.00 0.00 42.46 40.64 3dky s ILE 35 CO 0.07 0.55 1.07 -0.94 0.00 0.00 0.00 174.94 175.69 3dky s SER 36 N 0.39 1.99 0.73 3.58 1.04 0.00 -0.81 113.70 120.62 3dky s SER 36 Ca -0.16 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 3dky s SER 36 Cb -0.17 -2.00 0.04 0.00 0.10 0.00 0.00 66.02 63.98 3dky s SER 36 CO 0.07 -3.54 1.14 -2.84 0.98 0.00 0.00 173.24 169.05 3dky s PRO 37 N -4.79 2.33 -0.25 4.02 0.02 -1.26 -4.66 135.00 130.40 3dky s PRO 37 Ca 0.66 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 3dky s PRO 37 Cb -0.21 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3dky s PRO 37 CO 0.60 -1.63 2.22 -0.11 -0.33 0.00 0.00 177.00 177.75 3dky n LEU 38 N -2.89 3.00 -4.44 -5.54 0.00 -1.26 -4.75 117.00 101.12 3dky n LEU 38 Ca 0.11 0.24 -0.40 0.00 0.00 0.00 0.00 56.01 55.96 3dky n LEU 38 Cb 0.52 -1.49 -0.01 0.00 0.00 0.00 0.00 43.42 42.43 3dky n LEU 38 CO 0.49 -0.71 1.98 1.41 0.00 0.00 0.00 177.39 180.56 3dky n HIS 39 N 11.37 4.07 -0.08 1.96 8.25 0.13 -4.67 115.22 136.25 3dky n HIS 39 Ca 0.33 -2.56 -0.05 0.00 -0.26 0.00 0.00 57.72 55.18 3dky n HIS 39 Cb 0.40 -2.59 -0.16 0.00 1.12 0.00 0.00 29.99 28.76 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 9.20 0.01 -2.25 0.41 3.85 -1.26 -2.20 116.55 124.30 3dky n ASP 40 Ca 0.49 0.01 -0.29 0.00 -0.71 0.00 0.00 54.79 54.28 3dky n ASP 40 Cb 0.45 1.24 0.11 0.00 -1.35 0.00 0.00 41.12 41.57 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 -2.63 2.45 -2.48 0.11 5.02 -1.26 -4.45 118.16 114.92 3dky n LYS 41 Ca -0.26 -3.04 -0.43 0.00 -2.02 0.00 0.00 58.31 52.57 3dky n LYS 41 Cb 1.01 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.48 6.76 0.09 4.39 1.01 -1.26 -4.73 116.67 121.45 3dky s ASP 42 Ca 0.59 1.20 -0.33 0.00 0.71 0.00 0.00 52.55 54.72 3dky s ASP 42 Cb 0.48 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.75 3dky s ASP 42 CO 0.03 -1.01 1.76 2.29 0.21 0.00 0.00 175.17 178.46 3dky n LYS 43 N 7.16 2.47 -3.79 8.23 -0.00 -1.26 -1.06 118.16 129.90 3dky n LYS 43 Ca 0.14 0.90 -0.36 0.00 -0.00 0.00 0.00 58.31 58.98 3dky n LYS 43 Cb 0.47 -2.74 -0.06 0.00 -0.00 0.00 0.00 35.03 32.70 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 2.38 6.49 -0.04 -5.58 0.15 -0.97 -4.70 113.70 111.44 3dky s SER 44 Ca 0.83 0.57 0.16 0.00 0.70 0.00 0.00 55.95 58.20 3dky s SER 44 Cb -0.59 -2.10 0.52 0.00 -1.71 0.00 0.00 66.02 62.14 3dky s SER 44 CO 0.40 0.34 1.41 -1.54 1.20 0.00 0.00 173.24 175.05 3dky n SER 45 N 1.61 3.30 -4.77 5.45 3.41 -1.26 -4.87 113.62 116.49 3dky n SER 45 Ca -0.16 -2.15 -0.38 0.00 -0.26 0.00 0.00 58.87 55.92 3dky n SER 45 Cb 0.54 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.49 3.86 0.36 -1.33 1.09 -1.26 -5.01 121.20 117.42 3dky s ILE 46 Ca 0.38 1.66 -0.27 0.00 -1.10 0.00 0.00 60.65 61.32 3dky s ILE 46 Cb 0.22 -3.97 -0.09 0.00 -1.06 0.00 0.00 42.46 37.55 3dky s ILE 46 CO 0.22 0.24 1.24 -0.75 -0.10 0.00 0.00 174.94 175.79 3dky s LYS 47 N -1.83 4.21 0.00 2.79 2.20 -1.26 -4.00 119.74 121.85 3dky s LYS 47 Ca 0.49 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 3dky s LYS 47 Cb -0.25 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3dky s LYS 47 CO 0.31 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 3dky n GLY 48 N 0.77 2.01 3.71 5.54 0.00 -1.26 -4.96 105.19 111.00 3dky n GLY 48 Ca 0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 2.42 -0.00 1.61 7.27 -1.26 -4.97 117.38 122.45 3dky n GLN 49 Ca 0.00 0.86 -0.01 0.00 0.07 0.00 0.00 57.00 57.92 3dky n GLN 49 Cb 0.00 -2.59 -0.01 0.00 2.41 0.00 0.00 30.24 30.05 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 4.51 -0.09 -6.43 3.69 3.64 -1.89 -3.43 116.57 116.57 3dky h LYS 50 Ca -0.46 0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.30 3dky h LYS 50 Cb 1.25 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 3dky h LYS 50 CO 0.77 -0.06 -0.71 0.71 -2.27 0.00 0.00 179.45 177.90 3dky s TYR 51 N -1.79 2.71 0.42 1.91 4.12 -1.26 -2.28 117.35 121.18 3dky s TYR 51 Ca -0.01 -0.19 -0.25 0.00 0.02 0.00 0.00 57.07 56.64 3dky s TYR 51 Cb 0.00 -1.34 -0.08 0.00 -1.52 0.00 0.00 41.96 39.02 3dky s TYR 51 CO 0.04 0.50 1.18 0.15 0.02 0.00 0.00 175.55 177.44 3dky s LYS 52 N -2.75 3.97 0.24 -0.62 1.02 -0.23 -4.70 119.74 116.67 3dky s LYS 52 Ca 0.25 1.86 -0.13 0.00 0.02 0.00 0.00 55.97 57.97 3dky s LYS 52 Cb -0.09 -2.62 -0.10 0.00 -0.52 0.00 0.00 37.83 34.50 3dky s LYS 52 CO 0.16 -0.40 0.06 1.17 -0.92 0.00 0.00 175.35 175.43 3dky n LYS 53 N -0.06 0.00 -2.66 1.68 4.81 -1.26 -4.70 118.16 115.97 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 0.47 -0.61 -0.03 0.00 0.02 0.00 0.00 35.03 34.88 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 -1.00 3.33 0.23 3.14 0.00 -1.26 -4.88 121.76 121.31 3dky s ALA 54 Ca 0.36 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3dky s ALA 54 Cb -0.39 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3dky s ALA 54 CO 0.38 -0.48 0.27 -3.38 0.00 0.00 0.00 175.76 172.55 3dky s HIS 55 N 1.63 0.92 0.05 0.00 -3.43 -0.94 -4.20 115.29 109.32 3dky s HIS 55 Ca 0.51 -1.17 0.09 0.00 -0.80 0.00 0.00 55.06 53.69 3dky s HIS 55 Cb -0.20 -0.29 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 3dky s HIS 55 CO 0.22 -0.79 -0.26 0.71 -2.00 0.00 0.00 174.74 172.62 3dky s TYR 56 N -4.02 2.26 -0.15 0.38 2.02 0.42 -0.69 117.35 117.56 3dky s TYR 56 Ca 0.33 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.57 3dky s TYR 56 Cb 0.04 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 3dky s TYR 56 CO 0.12 0.13 0.03 -1.01 -1.57 0.00 0.00 175.55 173.25 3dky s HIS 57 N -0.81 3.20 -0.07 2.71 3.76 -1.26 -0.95 115.29 121.85 3dky s HIS 57 Ca 0.11 0.03 0.05 0.00 -0.15 0.00 0.00 55.06 55.10 3dky s HIS 57 Cb -0.10 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.60 3dky s HIS 57 CO 0.02 0.20 -0.23 0.08 -0.85 0.00 0.00 174.74 173.96 3dky s VAL 58 N 0.05 2.21 -0.35 -0.90 1.01 -0.58 -0.82 120.40 121.02 3dky s VAL 58 Ca 0.04 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3dky s VAL 58 Cb -0.13 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.47 3dky s VAL 58 CO 0.01 0.56 0.13 -0.22 0.00 0.00 0.00 175.10 175.59 3dky s LEU 59 N -0.02 4.44 -0.20 3.92 0.20 0.84 -2.44 118.68 125.42 3dky s LEU 59 Ca -0.07 -1.18 0.01 0.00 0.69 0.00 0.00 54.13 53.58 3dky s LEU 59 Cb -0.15 -1.89 0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3dky s LEU 59 CO 0.05 -0.35 -0.12 -0.47 -0.29 0.00 0.00 176.35 175.17 3dky s TYR 60 N 1.41 2.61 -0.35 5.38 6.14 -0.43 -0.58 117.35 131.52 3dky s TYR 60 Ca -0.01 -1.71 -0.07 0.00 0.64 0.00 0.00 57.07 55.92 3dky s TYR 60 Cb -0.20 -1.73 0.04 0.00 0.42 0.00 0.00 41.96 40.50 3dky s TYR 60 CO 0.03 -0.77 0.12 0.96 0.64 0.00 0.00 175.55 176.53 3dky s ILE 61 N 1.33 3.82 0.64 3.14 -4.36 -1.10 -1.22 121.20 123.45 3dky s ILE 61 Ca -0.01 -1.18 -0.17 0.00 -0.26 0.00 0.00 60.65 59.03 3dky s ILE 61 Cb -0.16 -3.19 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 3dky s ILE 61 CO -0.08 -0.22 1.19 0.00 0.24 0.00 0.00 174.94 176.06 3dky s ALA 62 N 1.40 2.43 0.11 2.27 0.00 0.36 -4.17 121.76 124.16 3dky s ALA 62 Ca -0.01 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 3dky s ALA 62 Cb -0.20 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 3dky s ALA 62 CO 0.03 -1.35 1.70 -0.22 0.00 0.00 0.00 175.76 175.92 3dky h LYS 63 N 0.47 -0.15 -5.90 0.00 3.64 -1.96 -3.45 116.57 109.21 3dky h LYS 63 Ca -0.49 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 3dky h LYS 63 Cb 1.29 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 3dky h LYS 63 CO 0.54 -0.10 -0.72 -0.80 -2.27 0.00 0.00 179.45 176.10 3dky s ASN 64 N -5.06 3.32 -0.45 4.20 0.01 -1.26 -5.07 114.94 110.62 3dky s ASN 64 Ca -0.14 -1.11 -0.30 0.00 -0.71 0.00 0.00 52.86 50.60 3dky s ASN 64 Cb 0.08 -0.27 -0.10 0.00 0.41 0.00 0.00 41.25 41.38 3dky s ASN 64 CO 0.67 -0.13 2.34 -2.65 -1.51 0.00 0.00 177.10 175.82 3dky n PRO 65 N -0.63 1.11 -4.57 -0.60 -0.02 -1.26 -4.69 135.00 124.34 3dky n PRO 65 Ca -0.06 0.20 -0.26 0.00 -2.02 0.00 0.00 63.50 61.36 3dky n PRO 65 Cb 0.62 -2.85 -0.11 0.00 -0.02 0.00 0.00 33.50 31.14 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 9.49 1.65 0.48 -1.45 -7.23 -0.95 -4.72 120.40 117.67 3dky s VAL 66 Ca 1.07 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.19 3dky s VAL 66 Cb -0.56 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 3dky s VAL 66 CO 0.38 0.00 0.78 0.42 -0.31 0.00 0.00 175.10 176.37 3dky s THR 67 N -2.92 4.75 0.21 5.32 -4.23 -1.26 -0.63 115.64 116.87 3dky s THR 67 Ca 0.33 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.85 3dky s THR 67 Cb 0.09 -3.80 0.19 0.00 1.34 0.00 0.00 72.50 70.31 3dky s THR 67 CO 0.16 -0.77 1.67 0.00 -0.54 0.00 0.00 174.62 175.15 3dky h ALA 68 N 0.22 0.65 0.00 3.99 0.00 -1.94 -2.89 119.26 119.30 3dky h ALA 68 Ca -0.47 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3dky h ALA 68 Cb 1.21 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3dky h ALA 68 CO 0.61 -0.37 -0.33 -0.44 0.00 0.00 0.00 179.25 178.72 3dky h ASP 69 N 0.16 0.00 0.44 0.00 5.19 -1.94 -2.60 116.42 117.67 3dky h ASP 69 Ca 0.33 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.67 3dky h ASP 69 Cb 0.52 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 3dky h ASP 69 CO -0.49 0.33 -0.32 0.77 -3.12 0.00 0.00 179.24 176.41 3dky h SER 70 N 0.00 0.00 0.03 6.45 4.64 -1.90 -2.09 113.55 120.68 3dky h SER 70 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dky h SER 70 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3dky h SER 70 CO 0.04 0.32 -0.01 0.58 -0.87 0.00 0.00 176.83 176.89 3dky h VAL 71 N 0.00 1.31 -0.95 0.95 2.07 -1.51 -2.80 116.25 115.33 3dky h VAL 71 Ca -0.00 -1.80 0.21 0.00 0.82 0.00 0.00 66.70 65.93 3dky h VAL 71 Cb 0.62 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.68 3dky h VAL 71 CO 0.04 0.41 0.51 -0.09 0.02 0.00 0.00 177.57 178.47 3dky h ARG 72 N -0.92 0.56 0.00 1.57 2.43 -1.32 0.30 114.38 117.00 3dky h ARG 72 Ca -0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 3dky h ARG 72 Cb 0.71 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3dky h ARG 72 CO 0.01 0.37 -1.05 0.87 -1.51 0.00 0.00 179.97 178.66 3dky h LYS 73 N 0.58 0.00 -0.23 0.20 1.57 -1.52 -2.34 116.57 114.83 3dky h LYS 73 Ca 0.58 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.25 3dky h LYS 73 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3dky h LYS 73 CO -0.45 0.33 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.24 3dky h LYS 74 N 0.00 0.45 0.12 3.15 3.64 -0.83 -2.01 116.57 121.10 3dky h LYS 74 Ca -0.09 -0.18 -0.27 0.00 -1.27 0.00 0.00 60.65 58.83 3dky h LYS 74 Cb 1.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3dky h LYS 74 CO 0.05 0.70 -1.27 0.82 -2.27 0.00 0.00 179.45 177.48 3dky h ILE 75 N 0.39 1.47 0.62 2.00 1.08 -1.04 -3.27 117.51 118.76 3dky h ILE 75 Ca 0.05 -3.05 -0.03 0.00 -0.39 0.00 0.00 64.86 61.44 3dky h ILE 75 Cb 0.72 2.92 0.01 0.00 -3.07 0.00 0.00 36.82 37.39 3dky h ILE 75 CO 0.05 0.89 -0.30 0.11 -0.69 0.00 0.00 178.15 178.21 3dky h LYS 76 N 0.07 -0.80 -0.08 2.37 1.57 -1.32 -1.50 116.57 116.88 3dky h LYS 76 Ca -0.14 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dky h LYS 76 Cb 1.97 0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.46 3dky h LYS 76 CO 0.19 -0.50 0.00 1.28 -0.57 0.00 0.00 179.45 179.85 3dky n LEU 77 N -5.42 0.08 0.00 2.94 4.32 -0.76 -0.59 117.00 117.56 3dky n LEU 77 Ca -0.13 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 3dky n LEU 77 Cb 0.35 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 3dky n LEU 77 CO 0.36 0.02 -0.14 -0.11 -1.22 0.00 0.00 177.39 176.30 3dky n LEU 78 N -0.14 0.00 0.00 2.23 -0.00 -0.91 -4.89 117.00 113.29 3dky n LEU 78 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 3dky n LEU 78 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 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 -0.48 0.00 0.00 -1.96 4.77 -0.61 -4.93 117.00 113.79 3dky n LEU 79 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 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 0.03 3.46 0.00 -0.72 0.00 0.24 -4.34 105.19 103.87 3dky n GLY 80 Ca 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.56 0.01 -0.17 1.61 2.13 -1.25 -2.82 120.64 119.59 3dky n GLU 81 Ca 0.00 0.39 0.06 0.00 0.66 0.00 0.00 57.16 58.27 3dky n GLU 81 Cb 0.00 -1.50 0.15 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.45 2.70 0.06 5.31 4.81 -1.26 -4.74 118.16 123.58 3dky n LYS 82 Ca 0.01 -2.02 -0.17 0.00 -0.87 0.00 0.00 58.31 55.27 3dky n LYS 82 Cb 0.05 -1.28 -0.14 0.00 0.02 0.00 0.00 35.03 33.67 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 2.16 0.38 -3.71 3.14 4.64 -1.65 -3.46 113.55 115.05 3dky h SER 83 Ca 0.00 -0.54 -0.29 0.00 -0.47 0.00 0.00 61.79 60.49 3dky h SER 83 Cb 0.73 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 3dky h SER 83 CO 0.00 1.45 -0.27 0.00 -0.87 0.00 0.00 176.83 177.14 3dky n LEU 84 N -3.44 0.00 0.00 5.97 -0.00 -1.26 -3.18 117.00 115.09 3dky n LEU 84 Ca -0.17 -1.83 0.00 0.00 -0.00 0.00 0.00 56.01 54.01 3dky n LEU 84 Cb 1.04 0.88 0.00 0.00 -0.00 0.00 0.00 43.42 45.34 3dky n LEU 84 CO 0.50 -0.30 0.00 0.00 -0.00 0.00 0.00 177.39 177.59 3dky n ALA 85 N -1.72 0.00 -3.68 1.47 0.00 -1.26 -5.04 120.51 110.28 3dky n ALA 85 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 3dky n ALA 85 Cb 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 2.60 -0.37 0.00 -2.45 -1.26 -5.05 119.30 112.77 3dky s MET 86 Ca 0.00 -2.42 -0.10 0.00 -1.25 0.00 0.00 55.69 51.93 3dky s MET 86 Cb 0.00 -3.79 0.03 0.00 1.25 0.00 0.00 34.83 32.32 3dky s MET 86 CO 0.00 -1.18 0.18 0.08 1.05 0.00 0.00 175.02 175.16 3dky s VAL 87 N 0.15 4.35 0.22 10.11 1.01 -1.26 -4.06 120.40 130.92 3dky s VAL 87 Ca 0.16 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3dky s VAL 87 Cb -0.20 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3dky s VAL 87 CO -0.04 -0.24 0.46 -1.10 0.00 0.00 0.00 175.10 174.19 3dky s GLN 88 N 1.51 3.62 -0.22 2.72 1.11 -0.43 -4.96 119.66 123.01 3dky s GLN 88 Ca 0.01 -0.07 -0.16 0.00 0.01 0.00 0.00 55.36 55.15 3dky s GLN 88 Cb -0.19 -2.75 -0.04 0.00 -1.01 0.00 0.00 33.01 29.02 3dky s GLN 88 CO 0.05 0.34 0.39 0.54 0.01 0.00 0.00 175.29 176.63 3dky s VAL 89 N -1.88 5.19 0.04 1.09 0.11 -1.26 -1.22 120.40 122.46 3dky s VAL 89 Ca 0.42 0.67 -0.30 0.00 -2.93 0.00 0.00 61.98 59.84 3dky s VAL 89 Cb -0.11 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 3dky s VAL 89 CO 0.27 0.23 1.08 -0.69 -3.33 0.00 0.00 175.10 172.66 3dky s VAL 90 N 1.47 4.47 -0.18 2.04 1.01 0.20 -4.92 120.40 124.49 3dky s VAL 90 Ca 0.18 1.79 0.04 0.00 0.00 0.00 0.00 61.98 63.99 3dky s VAL 90 Cb -0.15 -4.15 -0.22 0.00 0.00 0.00 0.00 36.38 31.87 3dky s VAL 90 CO 0.08 0.15 0.10 0.18 0.00 0.00 0.00 175.10 175.61 3dky n LEU 91 N 3.82 2.05 -3.90 3.92 4.32 -1.26 -4.65 117.00 121.30 3dky n LEU 91 Ca 0.07 0.05 -0.30 0.00 -0.02 0.00 0.00 56.01 55.81 3dky n LEU 91 Cb 0.49 -0.56 -0.15 0.00 -1.62 0.00 0.00 43.42 41.58 3dky n LEU 91 CO 0.54 0.76 -0.34 0.21 -1.22 0.00 0.00 177.39 177.33 3dky s ASN 92 N -6.41 4.35 0.29 -1.43 2.47 -1.26 -5.01 114.94 107.94 3dky s ASN 92 Ca -0.23 -1.81 -0.02 0.00 0.42 0.00 0.00 52.86 51.22 3dky s ASN 92 Cb 0.08 -1.27 0.41 0.00 -1.45 0.00 0.00 41.25 39.02 3dky s ASN 92 CO 0.72 -0.37 1.93 0.58 -3.72 0.00 0.00 177.10 176.23 3dky h VAL 93 N 6.57 1.22 -0.57 -5.21 2.07 -1.95 -0.58 116.25 117.81 3dky h VAL 93 Ca -0.10 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3dky h VAL 93 Cb 1.03 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3dky h VAL 93 CO 0.49 0.23 0.02 -0.08 0.02 0.00 0.00 177.57 178.25 3dky h GLU 94 N 1.07 0.96 -0.46 1.57 4.81 -1.93 -2.01 114.58 118.57 3dky h GLU 94 Ca 0.28 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3dky h GLU 94 Cb -0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3dky h GLU 94 CO -0.05 0.93 -0.02 -0.97 -0.73 0.00 0.00 179.01 178.17 3dky h ASN 95 N 0.89 0.82 0.56 1.04 -1.24 -1.63 -1.58 115.58 114.43 3dky h ASN 95 Ca 0.17 -0.32 -0.07 0.00 0.71 0.00 0.00 56.30 56.79 3dky h ASN 95 Cb 0.49 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 3dky h ASN 95 CO 0.02 0.94 -0.31 -0.03 -1.29 0.00 0.00 177.43 176.76 3dky h MET 96 N 0.68 0.00 -0.03 6.67 4.05 -1.08 -1.00 114.93 124.23 3dky h MET 96 Ca 0.13 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.36 3dky h MET 96 Cb 0.53 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 3dky h MET 96 CO 0.03 0.31 -0.79 -0.92 0.23 0.00 0.00 176.91 175.77 3dky h TYR 97 N 0.00 0.38 0.00 1.39 3.20 -1.14 -2.59 116.97 118.21 3dky h TYR 97 Ca -0.00 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.58 3dky h TYR 97 Cb 0.67 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3dky h TYR 97 CO 0.00 0.95 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.89 3dky h LEU 98 N 0.17 0.00 -0.98 2.82 3.38 -1.07 -3.18 115.31 116.44 3dky h LEU 98 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3dky h LEU 98 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3dky h LEU 98 CO 0.12 0.50 -0.36 0.22 0.09 0.00 0.00 178.44 179.02 3dky h TYR 99 N 0.00 0.00 -0.69 1.13 5.03 -0.81 -1.25 116.97 120.38 3dky h TYR 99 Ca -0.01 0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.51 3dky h TYR 99 Cb 1.00 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.25 3dky h TYR 99 CO 0.00 0.36 0.53 -0.07 -1.32 0.00 0.00 178.16 177.66 3dky h LEU 100 N 0.00 0.00 -3.03 2.82 3.38 -1.46 -0.27 115.31 116.75 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 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 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 -4.19 1.48 -2.15 0.22 -2.24 -0.93 -4.29 114.28 102.17 3dky n THR 101 Ca 0.14 -1.40 -0.14 0.00 -2.27 0.00 0.00 64.05 60.39 3dky n THR 101 Cb 0.79 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.16 -1.08 -1.13 4.78 8.25 -0.11 -2.13 115.22 123.64 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 0.56 -2.86 0.26 0.00 1.12 0.00 0.00 29.99 29.07 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 -2.59 2.95 -2.97 -0.41 1.02 -0.51 -4.09 120.64 114.04 3dky n GLU 103 Ca -0.16 -3.02 -0.18 0.00 -0.02 0.00 0.00 57.16 53.78 3dky n GLU 103 Cb 0.58 -1.98 0.01 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.76 5.61 0.11 1.62 1.04 -1.22 -4.87 113.70 114.22 3dky s SER 104 Ca 0.48 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 56.38 3dky s SER 104 Cb 0.39 -0.79 -0.09 0.00 0.10 0.00 0.00 66.02 65.63 3dky s SER 104 CO 0.08 -0.81 1.69 0.11 0.98 0.00 0.00 173.24 175.29 3dky h LYS 105 N 0.53 -0.23 -0.27 4.02 1.57 -1.94 0.30 116.57 120.54 3dky h LYS 105 Ca -0.41 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.44 3dky h LYS 105 Cb 1.28 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.56 3dky h LYS 105 CO 0.48 -0.15 -0.39 0.38 -0.57 0.00 0.00 179.45 179.20 3dky h ASP 106 N -0.24 -1.25 0.34 0.86 2.03 -1.97 -2.96 116.42 113.23 3dky h ASP 106 Ca 0.03 0.19 -0.17 0.00 -0.73 0.00 0.00 57.03 56.35 3dky h ASP 106 Cb 0.27 0.54 -0.01 0.00 -0.83 0.00 0.00 39.33 39.30 3dky h ASP 106 CO -0.09 -0.38 -0.69 0.00 -1.03 0.00 0.00 179.24 177.05 3dky h ALA 107 N 0.39 0.70 -0.40 4.15 0.00 -1.83 -2.95 119.26 119.31 3dky h ALA 107 Ca 0.12 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3dky h ALA 107 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3dky h ALA 107 CO -0.47 0.77 -0.14 0.82 0.00 0.00 0.00 179.25 180.22 3dky h ILE 108 N 0.22 1.26 0.00 0.00 2.04 -0.89 -1.84 117.51 118.30 3dky h ILE 108 Ca -0.02 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3dky h ILE 108 Cb 1.24 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3dky h ILE 108 CO 0.11 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.66 3dky h ALA 109 N 1.18 1.00 -0.16 1.87 0.00 -1.50 -2.55 119.26 119.11 3dky h ALA 109 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dky h ALA 109 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dky h ALA 109 CO 0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.92 3dky n LYS 110 N -2.87 1.85 -3.06 0.00 5.02 -1.05 -4.97 118.16 113.07 3dky n LYS 110 Ca 0.04 -1.27 -0.22 0.00 -2.02 0.00 0.00 58.31 54.84 3dky n LYS 110 Cb 0.49 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 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 0.50 -4.23 -2.18 1.97 5.02 -0.75 -4.94 118.16 113.56 3dky n LYS 111 Ca 0.17 0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 56.91 3dky n LYS 111 Cb 0.39 -5.58 -0.00 0.00 -0.02 0.00 0.00 35.03 29.81 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 -5.73 3.45 -0.44 1.97 1.02 -0.86 -4.90 119.74 114.25 3dky s LYS 112 Ca 0.30 1.24 -0.27 0.00 0.02 0.00 0.00 55.97 57.27 3dky s LYS 112 Cb -0.14 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 3dky s LYS 112 CO 0.37 -0.71 2.20 -1.58 -0.92 0.00 0.00 175.35 174.72 3dky s HIS 113 N -2.33 1.28 0.20 3.18 5.65 -1.26 -4.92 115.29 117.09 3dky s HIS 113 Ca 0.65 1.10 -0.32 0.00 0.25 0.00 0.00 55.06 56.74 3dky s HIS 113 Cb -0.16 -3.81 -0.12 0.00 -1.18 0.00 0.00 32.58 27.31 3dky s HIS 113 CO 0.32 -2.86 1.69 0.08 -0.65 0.00 0.00 174.74 173.32 3dky s VAL 114 N 10.23 2.13 0.45 0.89 1.01 -1.26 -4.75 120.40 129.10 3dky s VAL 114 Ca 0.91 0.09 0.08 0.00 0.00 0.00 0.00 61.98 63.06 3dky s VAL 114 Cb -0.20 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3dky s VAL 114 CO 0.28 0.01 0.45 -0.31 0.00 0.00 0.00 175.10 175.52 3dky s TYR 115 N 1.14 2.49 -0.32 5.22 1.51 -0.91 -5.04 117.35 121.45 3dky s TYR 115 Ca 0.74 -0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 55.97 3dky s TYR 115 Cb -0.49 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3dky s TYR 115 CO 0.32 -0.30 1.10 0.34 -1.11 0.00 0.00 175.55 175.91 3dky s ASP 116 N -4.23 6.90 0.19 2.29 -1.08 -1.26 -4.91 116.67 114.58 3dky s ASP 116 Ca 0.49 1.07 0.19 0.00 -0.52 0.00 0.00 52.55 53.78 3dky s ASP 116 Cb -0.04 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.73 3dky s ASP 116 CO 0.29 -0.90 1.58 2.29 0.52 0.00 0.00 175.17 178.95 3dky n LYS 117 N 6.93 0.12 0.16 4.34 2.85 -1.26 -1.68 118.16 129.61 3dky n LYS 117 Ca 0.12 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.96 3dky n LYS 117 Cb 0.47 -1.78 0.47 0.00 -0.65 0.00 0.00 35.03 33.54 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 2.23 1.00 0.00 0.58 0.00 -2.03 -3.18 119.26 117.86 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dky h ALA 118 CO 0.00 0.00 -0.66 -0.25 0.00 0.00 0.00 179.25 178.34 3dky n ASP 119 N -2.47 0.62 -4.67 0.00 8.00 -0.68 -4.89 116.55 112.46 3dky n ASP 119 Ca 0.03 -0.05 -0.44 0.00 0.71 0.00 0.00 54.79 55.03 3dky n ASP 119 Cb 0.33 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 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 -1.89 1.20 -4.56 0.53 5.41 -1.20 -4.31 119.36 114.54 3dky n ILE 120 Ca 0.04 -0.30 -0.33 0.00 1.00 0.00 0.00 62.75 63.15 3dky n ILE 120 Cb 0.41 -1.44 -0.15 0.00 -0.71 0.00 0.00 39.64 37.74 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 -0.75 3.24 -0.38 0.38 1.02 0.01 -4.95 119.74 118.31 3dky s LYS 121 Ca 0.65 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.81 3dky s LYS 121 Cb -0.64 -2.63 0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3dky s LYS 121 CO 0.53 0.04 0.21 -0.51 -0.92 0.00 0.00 175.35 174.70 3dky s LEU 122 N 0.76 4.81 0.11 3.17 1.43 -1.26 -0.53 118.68 127.16 3dky s LEU 122 Ca -0.06 -1.21 -0.23 0.00 -1.03 0.00 0.00 54.13 51.59 3dky s LEU 122 Cb -0.15 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 3dky s LEU 122 CO 0.01 -0.43 0.71 -0.63 0.23 0.00 0.00 176.35 176.24 3dky s ILE 123 N 1.48 4.57 -1.42 -0.59 -1.09 -0.20 -4.23 121.20 119.71 3dky s ILE 123 Ca 0.02 1.54 -0.06 0.00 -2.23 0.00 0.00 60.65 59.92 3dky s ILE 123 Cb -0.21 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3dky s ILE 123 CO 0.04 0.49 0.51 0.59 -1.23 0.00 0.00 174.94 175.34 3dky n ASN 124 N 1.96 -5.00 -0.56 3.58 3.02 -1.26 -1.95 115.26 115.05 3dky n ASN 124 Ca -0.06 -0.29 -0.04 0.00 -0.03 0.00 0.00 54.58 54.16 3dky n ASN 124 Cb 0.50 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -2.37 -2.10 -4.62 6.41 4.13 -1.26 -4.57 115.26 110.88 3dky n ASN 125 Ca -0.08 -0.02 -0.45 0.00 1.68 0.00 0.00 54.58 55.72 3dky n ASN 125 Cb 0.59 -1.38 -0.02 0.00 -1.54 0.00 0.00 39.78 37.43 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 -3.87 1.59 -3.58 3.10 -0.00 -1.19 -4.97 117.46 108.54 3dky n PHE 126 Ca -0.04 0.64 -0.24 0.00 -0.00 0.00 0.00 57.45 57.80 3dky n PHE 126 Cb 0.53 -2.31 -0.16 0.00 -0.00 0.00 0.00 39.48 37.54 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 -0.34 2.15 0.61 -2.13 2.15 -1.26 -4.95 116.67 112.91 3dky s ASP 127 Ca 0.61 -0.54 0.31 0.00 0.43 0.00 0.00 52.55 53.36 3dky s ASP 127 Cb -0.69 -0.10 1.76 0.00 -0.30 0.00 0.00 42.92 43.59 3dky s ASP 127 CO 0.58 -0.35 2.10 -0.29 -0.17 0.00 0.00 175.17 177.05 3dky h ILE 128 N 6.40 0.32 0.13 4.11 6.09 -2.00 -0.66 117.51 131.89 3dky h ILE 128 Ca -0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3dky h ILE 128 Cb 1.15 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 39.25 3dky h ILE 128 CO 0.29 0.00 -0.12 0.44 -3.07 0.00 0.00 178.15 175.70 3dky h ASP 129 N 0.00 -0.30 0.00 2.19 3.32 -1.99 -3.09 116.42 116.54 3dky h ASP 129 Ca 0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dky h ASP 129 Cb 0.48 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3dky h ASP 129 CO -0.00 -0.18 0.00 -2.11 -1.72 0.00 0.00 179.24 175.23 3dky n ARG 130 N -5.24 0.29 -0.03 3.56 1.85 -0.25 0.11 116.66 116.95 3dky n ARG 130 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3dky n ARG 130 Cb 0.16 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 0.54 0.00 -1.50 2.89 0.53 -1.17 -4.81 117.16 113.64 3dky n TYR 131 Ca 0.00 -0.07 -0.29 0.00 -1.02 0.00 0.00 57.90 56.52 3dky n TYR 131 Cb 0.10 -0.01 -0.06 0.00 -1.03 0.00 0.00 39.34 38.34 3dky n TYR 131 CO 0.00 0.00 0.00 1.33 -1.02 0.00 0.00 176.86 177.17 3dky n VAL 132 N -0.07 3.91 -1.42 -0.72 0.24 0.30 -4.86 118.33 115.71 3dky n VAL 132 Ca 0.00 -3.00 -0.35 0.00 -2.04 0.00 0.00 64.34 58.95 3dky n VAL 132 Cb 0.48 -1.94 0.10 0.00 -1.47 0.00 0.00 33.84 31.01 3dky n VAL 132 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3dky n THR 133 N 1.78 3.43 -2.47 3.34 5.66 -1.26 -4.93 114.28 119.83 3dky n THR 133 Ca 0.55 -0.36 -0.42 0.00 -3.05 0.00 0.00 64.05 60.77 3dky n THR 133 Cb 0.50 -1.30 -0.03 0.00 -1.55 0.00 0.00 70.33 67.95 3dky n THR 133 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3dky s LEU 134 N -4.57 4.35 0.43 1.09 1.43 -1.26 -4.96 118.68 115.19 3dky s LEU 134 Ca 0.77 1.92 -0.18 0.00 -1.03 0.00 0.00 54.13 55.61 3dky s LEU 134 Cb -0.34 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.16 3dky s LEU 134 CO 0.46 -0.47 -0.03 0.47 0.23 0.00 0.00 176.35 177.02 3dky n ASP 135 N 4.24 -3.11 -0.21 2.29 8.00 -1.26 -4.69 116.55 121.81 3dky n ASP 135 Ca 0.09 0.69 -0.00 0.00 0.71 0.00 0.00 54.79 56.28 3dky n ASP 135 Cb 0.47 -0.81 0.23 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.14 1.20 -0.37 2.53 2.07 -2.01 -2.36 116.25 117.44 3dky h VAL 136 Ca -0.37 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3dky h VAL 136 Cb 1.37 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3dky h VAL 136 CO 0.42 0.20 0.13 -0.33 0.02 0.00 0.00 177.57 178.01 3dky h GLU 137 N 1.00 0.57 -0.67 1.57 4.39 -2.00 -1.94 114.58 117.50 3dky h GLU 137 Ca 0.26 -0.11 0.14 0.00 0.34 0.00 0.00 59.36 59.99 3dky h GLU 137 Cb -0.06 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.40 3dky h GLU 137 CO -0.05 0.57 0.11 0.93 -1.16 0.00 0.00 179.01 179.41 3dky h GLU 138 N 0.46 0.21 -0.10 2.33 5.08 -1.75 0.31 114.58 121.12 3dky h GLU 138 Ca 0.12 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3dky h GLU 138 Cb 0.22 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3dky h GLU 138 CO -0.01 0.14 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.75 3dky h LYS 139 N 0.22 -0.23 -0.51 2.33 3.64 -0.97 0.77 116.57 121.82 3dky h LYS 139 Ca 0.37 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 3dky h LYS 139 Cb 0.60 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3dky h LYS 139 CO -0.49 -0.15 0.26 1.15 -2.27 0.00 0.00 179.45 177.94 3dky h THR 140 N -0.24 0.96 0.02 1.00 2.02 -0.88 -0.36 112.91 115.44 3dky h THR 140 Ca 0.09 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3dky h THR 140 Cb 0.36 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3dky h THR 140 CO -0.23 0.09 -0.19 -0.08 0.37 0.00 0.00 175.52 175.47 3dky h GLU 141 N 0.50 -0.31 -0.41 6.66 4.81 -0.26 -2.00 114.58 123.57 3dky h GLU 141 Ca 0.22 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3dky h GLU 141 Cb 0.13 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3dky h GLU 141 CO -0.15 -0.21 0.26 -0.07 -0.73 0.00 0.00 179.01 178.11 3dky h LEU 142 N -0.32 0.49 -0.76 1.64 3.38 -0.54 -1.91 115.31 117.28 3dky h LEU 142 Ca 0.05 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.12 3dky h LEU 142 Cb 0.39 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3dky h LEU 142 CO -0.16 0.38 0.35 0.15 0.09 0.00 0.00 178.44 179.24 3dky h PHE 143 N 0.55 0.60 0.00 1.13 3.57 -0.90 0.15 116.94 122.05 3dky h PHE 143 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3dky h PHE 143 Cb -0.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3dky h PHE 143 CO -0.04 0.14 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.06 3dky h ASN 144 N 0.53 0.00 -0.11 0.41 -0.26 -0.61 0.27 115.58 115.81 3dky h ASN 144 Ca 0.41 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 56.08 3dky h ASN 144 Cb 0.56 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.82 3dky h ASN 144 CO -0.36 0.21 -0.19 0.58 -1.06 0.00 0.00 177.43 176.60 3dky h VAL 145 N 0.00 1.38 0.00 2.81 2.07 -0.38 -2.70 116.25 119.43 3dky h VAL 145 Ca -0.00 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 3dky h VAL 145 Cb 0.44 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3dky h VAL 145 CO 0.03 0.42 -0.03 0.58 0.02 0.00 0.00 177.57 178.59 3dky h VAL 146 N -0.09 0.89 0.47 2.57 2.07 0.38 0.40 116.25 122.93 3dky h VAL 146 Ca 0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3dky h VAL 146 Cb 0.77 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3dky h VAL 146 CO 0.04 0.03 -0.23 0.58 0.02 0.00 0.00 177.57 178.02 3dky h VAL 147 N 0.00 0.00 -0.89 2.57 2.07 -0.35 -1.91 116.25 117.74 3dky h VAL 147 Ca -0.00 -0.31 0.20 0.00 0.82 0.00 0.00 66.70 67.41 3dky h VAL 147 Cb 0.06 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 3dky h VAL 147 CO 0.00 0.00 0.59 0.77 0.02 0.00 0.00 177.57 178.95 3dky h SER 148 N -0.94 0.40 0.06 0.57 4.64 -1.07 0.15 113.55 117.37 3dky h SER 148 Ca -0.06 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dky h SER 148 Cb 0.48 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3dky h SER 148 CO 0.11 0.17 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.10 3dky h LEU 149 N 0.41 -0.15 -1.45 5.97 3.38 -0.16 0.13 115.31 123.43 3dky h LEU 149 Ca 0.46 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.39 3dky h LEU 149 Cb 1.15 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3dky h LEU 149 CO -0.17 -0.09 -0.28 0.40 0.09 0.00 0.00 178.44 178.39 3dky h ILE 150 N -0.13 1.18 0.36 1.22 2.04 0.03 -2.52 117.51 119.69 3dky h ILE 150 Ca 0.00 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3dky h ILE 150 Cb 0.13 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3dky h ILE 150 CO -0.02 0.27 -0.17 0.03 0.00 0.00 0.00 178.15 178.26 3dky h ARG 151 N 0.00 -0.47 -0.12 2.37 3.08 -0.64 -2.51 114.38 116.10 3dky h ARG 151 Ca -0.00 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3dky h ARG 151 Cb 0.50 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 3dky h ARG 151 CO 0.04 -0.21 -0.31 0.00 -1.07 0.00 0.00 179.97 178.42 3dky h ALA 152 N -0.87 -0.36 -0.50 0.04 0.00 -0.70 -2.76 119.26 114.12 3dky h ALA 152 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dky h ALA 152 Cb 0.48 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dky h ALA 152 CO 0.08 -0.79 0.00 0.66 0.00 0.00 0.00 179.25 179.20 3dky n TYR 153 N -5.40 0.93 -4.04 0.00 4.01 -0.95 -4.94 117.16 106.76 3dky n TYR 153 Ca -0.03 -0.40 -0.31 0.00 -0.16 0.00 0.00 57.90 57.00 3dky n TYR 153 Cb 0.32 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.87 -2.82 -2.47 -0.72 -1.04 -0.98 -4.85 114.28 102.28 3dky n THR 154 Ca 0.18 -0.58 -0.42 0.00 -2.04 0.00 0.00 64.05 61.19 3dky n THR 154 Cb 0.58 -2.36 -0.03 0.00 -1.82 0.00 0.00 70.33 66.70 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 -7.10 4.36 0.09 -4.42 1.43 -0.99 -4.93 118.68 107.12 3dky s LEU 155 Ca 0.15 1.94 0.25 0.00 -1.03 0.00 0.00 54.13 55.44 3dky s LEU 155 Cb -0.07 -3.58 0.42 0.00 0.03 0.00 0.00 46.19 42.99 3dky s LEU 155 CO 0.93 -0.44 1.37 0.00 0.23 0.00 0.00 176.35 178.43 3dky n GLN 156 N 4.01 0.21 -3.64 1.70 6.02 -1.26 -4.67 117.38 119.76 3dky n GLN 156 Ca 0.09 0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 3dky n GLN 156 Cb 0.47 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 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 -3.89 -0.01 0.60 1.08 2.20 -1.26 -4.50 114.94 109.16 3dky s ASN 157 Ca 0.08 -0.00 0.37 0.00 -0.94 0.00 0.00 52.86 52.36 3dky s ASN 157 Cb 0.15 0.01 2.00 0.00 -2.00 0.00 0.00 41.25 41.40 3dky s ASN 157 CO 0.71 -0.01 2.12 -0.29 -2.94 0.00 0.00 177.10 176.68 3dky h ILE 158 N 2.00 0.00 -0.03 0.54 2.10 -1.98 0.25 117.51 120.39 3dky h ILE 158 Ca -0.05 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.81 3dky h ILE 158 Cb 1.13 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3dky h ILE 158 CO 0.20 0.00 -0.29 -0.26 -1.08 0.00 0.00 178.15 176.72 3dky h PHE 159 N 0.00 0.35 -0.29 2.19 0.05 -1.99 -1.30 116.94 115.95 3dky h PHE 159 Ca 0.00 -0.17 0.03 0.00 3.82 0.00 0.00 57.97 61.65 3dky h PHE 159 Cb 0.18 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 3dky h PHE 159 CO 0.00 0.93 0.20 -0.44 -0.18 0.00 0.00 178.31 178.81 3dky h ASP 160 N -0.33 0.22 -0.05 2.17 5.19 -1.38 -0.46 116.42 121.77 3dky h ASP 160 Ca -0.03 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3dky h ASP 160 Cb 0.98 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.44 3dky h ASP 160 CO 0.06 0.15 -0.01 0.25 -3.12 0.00 0.00 179.24 176.57 3dky h LEU 161 N 0.25 0.09 0.36 1.55 5.85 -1.23 -2.22 115.31 119.96 3dky h LEU 161 Ca 0.12 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3dky h LEU 161 Cb 0.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3dky h LEU 161 CO -0.02 0.44 -0.17 1.88 -0.34 0.00 0.00 178.44 180.23 3dky h TYR 162 N -0.26 -0.45 -0.98 1.25 0.05 -0.77 0.08 116.97 115.90 3dky h TYR 162 Ca 0.01 -0.01 0.27 0.00 0.05 0.00 0.00 58.73 59.05 3dky h TYR 162 Cb 0.40 0.15 -0.13 0.00 1.01 0.00 0.00 36.73 38.16 3dky h TYR 162 CO 0.05 -0.27 0.53 -0.44 -1.05 0.00 0.00 178.16 176.99 3dky h ASP 163 N -0.50 0.52 -0.24 3.88 3.45 -1.16 0.23 116.42 122.61 3dky h ASP 163 Ca -0.05 0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3dky h ASP 163 Cb 0.38 0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3dky h ASP 163 CO 0.08 -0.02 -0.01 0.15 -1.57 0.00 0.00 179.24 177.87 3dky h PHE 164 N 0.44 0.47 -0.61 4.55 3.04 -0.58 -3.00 116.94 121.24 3dky h PHE 164 Ca 0.66 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.51 3dky h PHE 164 Cb 1.36 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.72 3dky h PHE 164 CO -0.04 0.61 0.31 0.82 -2.02 0.00 0.00 178.31 177.99 3dky h ILE 165 N 0.19 1.19 -0.61 1.41 1.08 0.10 -2.04 117.51 118.84 3dky h ILE 165 Ca 0.07 -0.52 0.12 0.00 -0.39 0.00 0.00 64.86 64.14 3dky h ILE 165 Cb 0.44 0.40 -0.09 0.00 -3.07 0.00 0.00 36.82 34.49 3dky h ILE 165 CO 0.01 0.22 0.08 0.44 -0.69 0.00 0.00 178.15 178.22 3dky h ASP 166 N 0.85 -0.10 0.00 1.72 3.45 -0.54 0.37 116.42 122.18 3dky h ASP 166 Ca 0.21 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3dky h ASP 166 Cb 0.06 0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3dky h ASP 166 CO -0.03 -0.04 -0.01 -0.33 -1.57 0.00 0.00 179.24 177.26 3dky h GLU 167 N 0.20 0.00 -0.26 3.56 5.08 -1.45 -3.39 114.58 118.32 3dky h GLU 167 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3dky h GLU 167 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3dky h GLU 167 CO -0.45 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.65 3dky n ASN 168 N -2.36 1.47 -0.34 1.42 4.13 -0.80 -4.43 115.26 114.36 3dky n ASN 168 Ca -0.00 -1.94 -0.09 0.00 1.68 0.00 0.00 54.58 54.22 3dky n ASN 168 Cb 0.01 -0.17 -0.08 0.00 -1.54 0.00 0.00 39.78 37.99 3dky n ASN 168 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dky n GLY 169 N 0.96 -2.61 0.37 7.41 0.00 0.12 -1.61 105.19 109.83 3dky n GLY 169 Ca 0.10 1.06 0.11 0.00 0.00 0.00 0.00 46.02 47.29 3dky n GLY 169 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dky h GLU 170 N 0.00 0.61 -0.99 1.61 5.08 -1.77 -0.22 114.58 118.90 3dky h GLU 170 Ca 0.13 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 3dky h GLU 170 Cb 0.33 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 3dky h GLU 170 CO -0.76 0.41 0.62 1.15 -1.00 0.00 0.00 179.01 179.42 3dky h THR 171 N 0.63 0.78 -0.02 1.13 2.02 -1.64 0.43 112.91 116.24 3dky h THR 171 Ca 0.38 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3dky h THR 171 Cb 0.59 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3dky h THR 171 CO -0.14 0.15 -0.24 -1.22 0.37 0.00 0.00 175.52 174.44 3dky n TYR 172 N -4.69 0.00 -1.49 3.16 4.02 -0.22 -4.96 117.16 112.98 3dky n TYR 172 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 3dky n TYR 172 Cb 0.50 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 1.37 0.54 3.78 2.72 0.00 0.15 -5.07 105.19 108.68 3dky n GLY 173 Ca 0.12 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.80 0.00 0.99 1.43 -0.90 -4.96 118.68 119.04 3dky s LEU 174 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3dky s LEU 174 Cb 0.00 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 3dky s LEU 174 CO 0.00 0.16 0.01 0.35 0.23 0.00 0.00 176.35 177.10 3dky n THR 175 N 0.37 0.00 0.20 5.49 -2.24 -1.26 -3.75 114.28 113.09 3dky n THR 175 Ca -0.09 -1.10 -0.09 0.00 -2.27 0.00 0.00 64.05 60.50 3dky n THR 175 Cb 0.52 0.23 -0.05 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 1.14 0.05 0.00 2.28 1.08 -1.95 -2.75 117.51 117.36 3dky h ILE 176 Ca -0.19 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3dky h ILE 176 Cb 0.58 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3dky h ILE 176 CO 0.31 0.01 0.03 0.59 -0.69 0.00 0.00 178.15 178.41 3dky n ASN 177 N -5.16 0.00 -0.10 1.72 3.02 -1.26 -1.03 115.26 112.46 3dky n ASN 177 Ca -0.07 0.25 -0.22 0.00 -0.03 0.00 0.00 54.58 54.51 3dky n ASN 177 Cb 0.24 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.22 2.59 -0.12 3.41 7.94 -1.19 -3.52 117.00 124.89 3dky n LEU 178 Ca 0.00 0.09 -0.05 0.00 -1.11 0.00 0.00 56.01 54.94 3dky n LEU 178 Cb 0.03 -0.95 0.01 0.00 0.53 0.00 0.00 43.42 43.05 3dky n LEU 178 CO 0.00 0.78 0.78 0.58 -1.11 0.00 0.00 177.39 178.42 3dky h VAL 179 N -0.28 0.58 -1.03 1.96 2.07 -0.77 -0.90 116.25 117.87 3dky h VAL 179 Ca -0.55 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.23 3dky h VAL 179 Cb 1.82 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 32.06 3dky h VAL 179 CO -0.13 0.00 0.65 0.78 0.02 0.00 0.00 177.57 178.89 3dky h ASN 180 N -0.02 0.52 0.80 0.57 2.35 -1.50 0.61 115.58 118.91 3dky h ASN 180 Ca 0.19 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3dky h ASN 180 Cb 0.31 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3dky h ASN 180 CO -0.42 0.10 -0.43 1.21 -1.65 0.00 0.00 177.43 176.23 3dky n GLU 181 N -4.70 0.14 -0.07 0.81 2.13 -0.46 -3.04 120.64 115.45 3dky n GLU 181 Ca 0.26 0.05 -0.07 0.00 0.66 0.00 0.00 57.16 58.06 3dky n GLU 181 Cb 0.84 -1.60 -0.04 0.00 0.27 0.00 0.00 31.44 30.91 3dky n GLU 181 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dky h VAL 182 N 0.00 0.32 0.00 6.31 2.07 0.12 -3.37 116.25 121.70 3dky h VAL 182 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3dky h VAL 182 Cb 0.62 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3dky h VAL 182 CO 0.00 0.11 0.00 0.16 0.02 0.00 0.00 177.57 177.86 3dky h ILE 183 N -1.00 0.00 -2.66 4.57 3.07 -0.77 -3.43 117.51 117.29 3dky h ILE 183 Ca -0.06 -0.33 -0.60 0.00 1.55 0.00 0.00 64.86 65.42 3dky h ILE 183 Cb 0.56 1.19 0.10 0.00 -0.27 0.00 0.00 36.82 38.41 3dky h ILE 183 CO -0.04 0.00 0.29 0.00 -1.05 0.00 0.00 178.15 177.35 3dky n ALA 184 N -1.95 0.26 0.00 0.16 0.00 -1.17 -1.04 120.51 116.77 3dky n ALA 184 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3dky n ALA 184 Cb 0.24 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 1.28 1.28 0.81 0.00 0.00 -1.26 -4.67 105.19 102.62 3dky n GLY 185 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.82 -0.21 1.61 4.76 -0.21 -4.27 118.16 120.65 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 -1.21 0.04 0.00 -1.84 0.00 0.00 35.03 32.02 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 0.11 1.14 -0.10 -0.18 1.35 -1.82 -2.08 112.91 111.33 3dky h THR 187 Ca 0.00 -0.27 0.01 0.00 -0.55 0.00 0.00 66.41 65.59 3dky h THR 187 Cb 0.66 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3dky h THR 187 CO 0.00 0.15 -0.07 1.23 -0.25 0.00 0.00 175.52 176.58 3dky h GLY 188 N 0.80 -2.42 -0.70 5.82 0.00 -1.92 1.00 103.07 105.64 3dky h GLY 188 Ca 0.23 1.08 0.33 0.00 0.00 0.00 0.00 47.33 48.97 3dky h GLY 188 CO -0.06 -0.88 0.43 -2.75 0.00 0.00 0.00 176.54 173.28 3dky h PHE 189 N -0.01 0.67 0.19 5.60 3.04 -1.84 -1.77 116.94 122.83 3dky h PHE 189 Ca 0.02 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.02 3dky h PHE 189 Cb 0.05 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.39 3dky h PHE 189 CO -0.89 -0.30 -0.44 0.52 -2.02 0.00 0.00 178.31 175.17 3dky h MET 190 N 0.17 -0.70 -1.19 1.11 2.86 -0.11 -2.38 114.93 114.69 3dky h MET 190 Ca 0.72 0.05 0.38 0.00 -2.06 0.00 0.00 59.70 58.78 3dky h MET 190 Cb 1.68 0.16 -0.12 0.00 0.06 0.00 0.00 31.60 33.38 3dky h MET 190 CO -0.70 -0.47 0.76 -0.22 1.06 0.00 0.00 176.91 177.34 3dky h LYS 191 N -0.72 0.19 -0.50 1.72 1.63 -0.83 0.63 116.57 118.68 3dky h LYS 191 Ca 0.00 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 3dky h LYS 191 Cb 0.72 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 3dky h LYS 191 CO -0.21 0.12 0.03 -0.07 -3.45 0.00 0.00 179.45 175.87 3dky h LEU 192 N 0.19 0.83 -0.34 5.20 4.07 -1.39 -1.23 115.31 122.65 3dky h LEU 192 Ca 0.75 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 58.39 3dky h LEU 192 Cb 2.17 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.67 3dky h LEU 192 CO -0.42 0.92 0.08 -0.07 -1.08 0.00 0.00 178.44 177.86 3dky h LEU 193 N 0.72 0.52 -0.42 1.67 3.38 0.47 -0.61 115.31 121.04 3dky h LEU 193 Ca 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dky h LEU 193 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3dky h LEU 193 CO 0.02 0.62 0.00 0.49 0.09 0.00 0.00 178.44 179.66 3dky n PHE 194 N -4.62 0.49 -0.06 1.13 3.72 0.43 -0.64 117.46 117.92 3dky n PHE 194 Ca -0.01 0.19 -0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3dky n PHE 194 Cb 0.20 -0.81 -0.15 0.00 -0.94 0.00 0.00 39.48 37.78 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 -1.95 0.71 0.34 4.37 8.00 -0.48 -2.36 116.55 125.18 3dky n ASP 195 Ca 0.03 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.58 3dky n ASP 195 Cb 0.21 0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 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 3.41 -1.11 0.07 0.44 0.00 0.03 0.22 103.07 106.13 3dky h GLY 196 Ca -0.42 0.45 0.12 0.00 0.00 0.00 0.00 47.33 47.48 3dky h GLY 196 CO 0.05 -0.38 0.05 0.00 0.00 0.00 0.00 176.54 176.26 3dky h ALA 197 N -1.35 0.62 0.47 3.60 0.00 -1.01 0.22 119.26 121.80 3dky h ALA 197 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dky h ALA 197 Cb 0.75 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3dky h ALA 197 CO 0.09 -0.36 -0.36 -0.92 0.00 0.00 0.00 179.25 177.69 3dky h TYR 198 N 0.17 -0.99 0.00 0.00 3.20 -1.01 -1.47 116.97 116.86 3dky h TYR 198 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3dky h TYR 198 Cb 0.48 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3dky h TYR 198 CO -0.31 -0.51 0.00 0.00 -1.64 0.00 0.00 178.16 175.70 3dky n GLN 199 N -4.63 0.01 0.10 1.82 10.64 0.01 -1.54 117.38 123.78 3dky n GLN 199 Ca -0.10 0.30 -0.23 0.00 -1.83 0.00 0.00 57.00 55.15 3dky n GLN 199 Cb 0.35 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 28.08 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 0.05 -3.30 114.38 123.88 3dky h ARG 200 Ca 0.00 -0.76 -0.02 0.00 -1.10 0.00 0.00 59.98 58.10 3dky h ARG 200 Cb 0.19 0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3dky h ARG 200 CO 0.00 1.35 -0.09 0.66 2.80 0.00 0.00 179.97 184.69 3dky h SER 201 N 0.01 0.00 0.44 -3.80 4.64 -0.25 -2.63 113.55 111.95 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 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 3dky h SER 201 CO 0.22 0.09 0.00 1.17 -0.87 0.00 0.00 176.83 177.45 3dky n LYS 202 N -3.17 0.03 0.02 4.77 4.81 -0.77 -3.70 118.16 120.17 3dky n LYS 202 Ca 0.02 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.58 3dky n LYS 202 Cb 0.45 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.99 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 0.55 0.00 1.64 2.43 -1.58 -3.51 114.38 113.92 3dky h ARG 203 Ca 0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3dky h ARG 203 Cb 0.22 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3dky h ARG 203 CO 0.00 1.08 0.00 0.41 -1.51 0.00 0.00 179.97 179.95