#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dky s TYR 8 N 0.00 3.13 0.26 -1.55 2.02 -1.26 -0.69 117.35 119.25 3dky s TYR 8 Ca 0.00 -0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3dky s TYR 8 Cb 0.00 -2.19 -0.06 0.00 -0.40 0.00 0.00 41.96 39.32 3dky s TYR 8 CO 0.00 -0.19 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.70 3dky s PHE 9 N 1.23 1.76 0.03 2.71 0.40 -0.09 0.48 117.98 124.50 3dky s PHE 9 Ca 0.05 -0.82 -0.00 0.00 -0.60 0.00 0.00 56.93 55.55 3dky s PHE 9 Cb -0.14 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 3dky s PHE 9 CO 0.03 0.11 -0.03 -0.08 0.70 0.00 0.00 175.22 175.95 3dky s THR 10 N -3.22 0.17 0.35 0.64 -1.32 -0.63 -1.14 115.64 110.49 3dky s THR 10 Ca 0.29 -1.26 -0.11 0.00 -1.21 0.00 0.00 61.69 59.41 3dky s THR 10 Cb 0.05 -0.75 0.03 0.00 -1.51 0.00 0.00 72.50 70.32 3dky s THR 10 CO 0.10 -0.69 0.63 0.72 -2.21 0.00 0.00 174.62 173.18 3dky s PHE 11 N -2.39 0.49 -0.08 9.09 -0.12 -1.03 -1.42 117.98 122.52 3dky s PHE 11 Ca -0.07 -0.95 0.02 0.00 -0.05 0.00 0.00 56.93 55.88 3dky s PHE 11 Cb -0.03 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 3dky s PHE 11 CO -0.04 -1.33 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.15 3dky s LEU 12 N -3.12 2.76 -0.18 -1.99 1.02 -1.26 -1.04 118.68 114.87 3dky s LEU 12 Ca 0.22 -0.22 -0.05 0.00 0.02 0.00 0.00 54.13 54.09 3dky s LEU 12 Cb -0.03 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 3dky s LEU 12 CO 0.14 0.29 0.00 -0.76 0.02 0.00 0.00 176.35 176.04 3dky s LEU 13 N -0.38 3.40 -0.24 1.79 1.43 -0.20 -4.95 118.68 119.53 3dky s LEU 13 Ca 0.04 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3dky s LEU 13 Cb -0.12 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3dky s LEU 13 CO 0.02 0.13 0.12 -0.31 0.23 0.00 0.00 176.35 176.54 3dky s TYR 14 N 0.59 3.18 0.55 0.29 1.51 -1.26 -0.62 117.35 121.60 3dky s TYR 14 Ca -0.00 -0.09 0.24 0.00 -1.01 0.00 0.00 57.07 56.21 3dky s TYR 14 Cb -0.14 -2.25 1.50 0.00 -0.11 0.00 0.00 41.96 40.96 3dky s TYR 14 CO 0.02 -0.15 2.12 -1.35 -1.11 0.00 0.00 175.55 175.08 3dky h PRO 15 N 7.90 0.00 0.00 -1.71 0.11 -1.94 -1.91 132.00 134.45 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 0.60 0.00 -0.03 -0.85 -0.21 0.00 0.00 178.00 177.51 3dky n GLU 16 N -4.17 0.27 -1.22 1.05 -0.00 -1.26 -3.72 120.64 111.58 3dky n GLU 16 Ca 0.01 0.22 -0.00 0.00 -0.00 0.00 0.00 57.16 57.38 3dky n GLU 16 Cb 0.27 -1.81 0.12 0.00 -0.00 0.00 0.00 31.44 30.02 3dky n GLU 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3dky n SER 17 N -2.28 2.13 -3.90 -1.84 3.41 -0.74 -5.01 113.62 105.39 3dky n SER 17 Ca 0.05 -3.32 -0.15 0.00 -0.26 0.00 0.00 58.87 55.19 3dky n SER 17 Cb 0.43 -0.44 -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 -2.82 0.27 1.10 -1.33 -4.36 -1.08 -4.76 121.20 108.22 3dky s ILE 18 Ca 0.39 -0.09 -0.16 0.00 -0.26 0.00 0.00 60.65 60.52 3dky s ILE 18 Cb 0.38 -0.27 0.14 0.00 1.25 0.00 0.00 42.46 43.96 3dky s ILE 18 CO -0.07 0.10 0.31 -2.65 0.24 0.00 0.00 174.94 172.87 3dky n PRO 19 N 3.34 -1.58 0.16 0.37 -0.02 -1.26 -4.89 135.00 131.12 3dky n PRO 19 Ca -0.17 -0.43 0.03 0.00 -2.02 0.00 0.00 63.50 60.91 3dky n PRO 19 Cb 0.56 -1.84 0.18 0.00 -0.02 0.00 0.00 33.50 32.38 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 -2.13 0.00 -0.40 2.55 4.64 -2.00 -2.92 113.55 113.29 3dky h SER 20 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 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 0.40 0.48 0.00 -0.90 -0.87 0.00 0.00 176.83 175.94 3dky n ASP 21 N -3.40 3.87 -0.27 4.97 5.75 -1.26 -4.58 116.55 121.63 3dky n ASP 21 Ca 0.01 -2.50 0.08 0.00 -0.01 0.00 0.00 54.79 52.36 3dky n ASP 21 Cb 0.63 -0.57 0.21 0.00 -1.03 0.00 0.00 41.12 40.37 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 2.69 0.32 -0.49 2.11 5.08 -1.86 -0.33 115.95 123.47 3dky h TRP 22 Ca 0.00 0.04 -0.03 0.00 1.08 0.00 0.00 58.89 59.99 3dky h TRP 22 Cb 1.33 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.45 3dky h TRP 22 CO 0.66 -0.11 0.19 1.49 -1.28 0.00 0.00 178.44 179.39 3dky h GLU 23 N 0.27 0.70 -0.00 0.12 4.81 -1.87 -0.78 114.58 117.82 3dky h GLU 23 Ca 0.46 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 59.41 3dky h GLU 23 Cb 0.82 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3dky h GLU 23 CO -0.55 0.58 -0.82 1.25 -0.73 0.00 0.00 179.01 178.75 3dky h LEU 24 N 0.69 0.15 -0.34 1.64 5.85 -1.63 -3.25 115.31 118.42 3dky h LEU 24 Ca 0.17 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 3dky h LEU 24 Cb 0.15 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3dky h LEU 24 CO -0.02 0.91 -0.68 0.11 -0.34 0.00 0.00 178.44 178.42 3dky h LYS 25 N 0.07 0.63 -0.26 1.25 1.57 0.17 -2.99 116.57 117.00 3dky h LYS 25 Ca -0.03 -0.47 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 3dky h LYS 25 Cb 1.43 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 3dky h LYS 25 CO 0.12 1.09 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.00 3dky h LEU 26 N 0.45 0.36 -1.42 2.94 3.38 -1.31 -2.61 115.31 117.10 3dky h LEU 26 Ca -0.02 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3dky h LEU 26 Cb 1.27 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 3dky h LEU 26 CO 0.13 0.44 0.50 -0.08 0.09 0.00 0.00 178.44 179.52 3dky h GLU 27 N 0.38 0.62 -0.35 1.13 4.81 -1.55 -2.66 114.58 116.96 3dky h GLU 27 Ca 0.08 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3dky h GLU 27 Cb 0.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3dky h GLU 27 CO 0.01 0.41 -0.24 1.79 -0.73 0.00 0.00 179.01 180.25 3dky h THR 28 N 0.64 1.27 0.00 0.32 1.35 -1.48 -3.08 112.91 111.93 3dky h THR 28 Ca 0.35 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3dky h THR 28 Cb 0.51 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3dky h THR 28 CO -0.13 0.44 0.54 -0.07 -0.25 0.00 0.00 175.52 176.05 3dky h LEU 29 N 0.60 0.00 0.00 3.87 3.38 -1.56 -3.43 115.31 118.17 3dky h LEU 29 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dky h LEU 29 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dky h LEU 29 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3dky n GLY 30 N -1.31 2.84 3.77 0.83 0.00 -1.16 -4.99 105.19 105.17 3dky n GLY 30 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3dky n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dky s VAL 31 N -2.54 4.48 0.11 1.61 1.01 -1.26 -5.01 120.40 118.79 3dky s VAL 31 Ca 0.00 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 3dky s VAL 31 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3dky s VAL 31 CO 0.00 0.48 1.18 -2.84 0.00 0.00 0.00 175.10 173.91 3dky s PRO 32 N -0.81 4.48 0.08 2.72 0.02 -1.26 -4.69 135.00 135.54 3dky s PRO 32 Ca 0.37 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.20 3dky s PRO 32 Cb -0.22 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 30.96 3dky s PRO 32 CO 0.25 -0.15 -0.10 -1.64 -0.33 0.00 0.00 177.00 175.03 3dky s MET 33 N 0.49 0.77 -0.09 5.54 -1.94 -0.95 -2.57 119.30 120.54 3dky s MET 33 Ca 0.55 -1.05 0.04 0.00 -1.71 0.00 0.00 55.69 53.53 3dky s MET 33 Cb -0.30 -0.50 0.00 0.00 2.01 0.00 0.00 34.83 36.05 3dky s MET 33 CO 0.32 0.08 -0.21 0.00 -0.01 0.00 0.00 175.02 175.20 3dky s ALA 34 N -2.10 1.94 -0.11 3.03 0.00 0.30 -0.46 121.76 124.35 3dky s ALA 34 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3dky s ALA 34 Cb -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 3dky s ALA 34 CO 0.00 0.25 -0.22 0.42 0.00 0.00 0.00 175.76 176.21 3dky s ILE 35 N 0.39 2.24 1.00 0.00 1.01 0.72 0.20 121.20 126.76 3dky s ILE 35 Ca -0.17 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 3dky s ILE 35 Cb -0.17 -1.87 0.19 0.00 0.01 0.00 0.00 42.46 40.61 3dky s ILE 35 CO 0.07 0.55 1.08 -0.94 0.00 0.00 0.00 174.94 175.71 3dky s SER 36 N 0.37 2.47 0.82 3.58 1.04 -0.14 -0.60 113.70 121.24 3dky s SER 36 Ca -0.17 1.63 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 3dky s SER 36 Cb -0.17 -2.28 0.09 0.00 0.10 0.00 0.00 66.02 63.75 3dky s SER 36 CO 0.08 -3.29 1.13 -2.84 0.98 0.00 0.00 173.24 169.30 3dky s PRO 37 N -4.72 1.75 -0.28 4.02 0.02 -1.26 -4.67 135.00 129.86 3dky s PRO 37 Ca 0.66 1.42 -0.28 0.00 0.02 0.00 0.00 61.00 62.82 3dky s PRO 37 Cb -0.21 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 3dky s PRO 37 CO 0.60 -2.06 2.26 -0.11 -0.33 0.00 0.00 177.00 177.36 3dky n LEU 38 N -3.65 3.01 -4.19 -5.54 0.00 -1.26 -4.74 117.00 100.64 3dky n LEU 38 Ca 0.11 0.08 -0.39 0.00 0.00 0.00 0.00 56.01 55.81 3dky n LEU 38 Cb 0.52 -1.54 -0.03 0.00 0.00 0.00 0.00 43.42 42.37 3dky n LEU 38 CO 0.50 -0.86 2.02 1.41 0.00 0.00 0.00 177.39 180.47 3dky n HIS 39 N 12.41 3.26 -0.05 1.96 8.25 -0.04 -4.64 115.22 136.38 3dky n HIS 39 Ca 0.32 -2.25 0.02 0.00 -0.26 0.00 0.00 57.72 55.55 3dky n HIS 39 Cb 0.45 -2.41 -0.16 0.00 1.12 0.00 0.00 29.99 29.00 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 9.41 0.22 -2.27 0.41 3.85 -1.26 -2.42 116.55 124.48 3dky n ASP 40 Ca 0.49 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 54.25 3dky n ASP 40 Cb 0.43 1.55 0.11 0.00 -1.35 0.00 0.00 41.12 41.86 3dky n ASP 40 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3dky n LYS 41 N -2.43 2.58 0.00 0.11 5.02 -1.26 -4.97 118.16 117.21 3dky n LYS 41 Ca -0.15 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 52.90 3dky n LYS 41 Cb 0.79 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3dky n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3dky n ASP 42 N -0.98 0.00 0.00 4.39 10.43 -1.26 -4.72 116.55 124.41 3dky n ASP 42 Ca 0.61 0.57 0.00 0.00 2.57 0.00 0.00 54.79 58.54 3dky n ASP 42 Cb 0.95 -0.40 0.00 0.00 1.84 0.00 0.00 41.12 43.50 3dky n ASP 42 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3dky n HIS 55 N -1.71 0.00 -5.00 1.24 1.44 -1.02 -5.12 115.22 105.05 3dky n HIS 55 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 3dky n HIS 55 Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 3dky n HIS 55 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3dky s TYR 56 N -2.07 2.40 -0.17 -1.40 2.02 0.21 -0.86 117.35 117.48 3dky s TYR 56 Ca 0.00 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 3dky s TYR 56 Cb 0.00 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 3dky s TYR 56 CO 0.00 0.10 0.09 -1.01 -1.57 0.00 0.00 175.55 173.15 3dky s HIS 57 N -0.75 3.34 -0.08 2.71 3.76 -1.26 -1.04 115.29 121.97 3dky s HIS 57 Ca 0.12 0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.29 3dky s HIS 57 Cb -0.10 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 3dky s HIS 57 CO 0.01 0.31 -0.22 0.08 -0.85 0.00 0.00 174.74 174.07 3dky s VAL 58 N 0.04 2.26 -0.35 -0.90 1.01 -0.21 -0.97 120.40 121.29 3dky s VAL 58 Ca 0.07 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3dky s VAL 58 Cb -0.12 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.44 3dky s VAL 58 CO 0.00 0.56 0.13 -0.22 0.00 0.00 0.00 175.10 175.57 3dky s LEU 59 N -0.01 4.41 -0.20 3.92 0.20 0.13 -2.46 118.68 124.66 3dky s LEU 59 Ca -0.08 -1.10 0.01 0.00 0.69 0.00 0.00 54.13 53.66 3dky s LEU 59 Cb -0.15 -1.90 0.04 0.00 -0.43 0.00 0.00 46.19 43.74 3dky s LEU 59 CO 0.05 -0.34 -0.15 -0.47 -0.29 0.00 0.00 176.35 175.15 3dky s TYR 60 N 1.44 2.80 -0.33 5.38 6.14 -0.29 -0.54 117.35 131.94 3dky s TYR 60 Ca -0.01 -1.80 -0.05 0.00 0.64 0.00 0.00 57.07 55.85 3dky s TYR 60 Cb -0.19 -1.84 0.05 0.00 0.42 0.00 0.00 41.96 40.39 3dky s TYR 60 CO 0.04 -0.81 0.08 0.96 0.64 0.00 0.00 175.55 176.46 3dky s ILE 61 N 1.27 3.50 0.67 3.14 -4.36 -1.06 -0.92 121.20 123.44 3dky s ILE 61 Ca -0.00 -1.28 -0.16 0.00 -0.26 0.00 0.00 60.65 58.95 3dky s ILE 61 Cb -0.16 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.54 3dky s ILE 61 CO -0.10 -0.19 1.15 0.00 0.24 0.00 0.00 174.94 176.04 3dky s ALA 62 N 1.34 2.38 0.08 2.27 0.00 0.13 -4.16 121.76 123.79 3dky s ALA 62 Ca -0.02 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 52.41 3dky s ALA 62 Cb -0.20 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.37 3dky s ALA 62 CO 0.01 -1.42 1.68 -0.22 0.00 0.00 0.00 175.76 175.82 3dky h LYS 63 N 0.11 -0.27 -6.11 0.00 3.64 -1.96 -3.45 116.57 108.53 3dky h LYS 63 Ca -0.48 0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.31 3dky h LYS 63 Cb 1.27 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 33.01 3dky h LYS 63 CO 0.53 -0.16 -0.73 -0.80 -2.27 0.00 0.00 179.45 176.02 3dky s ASN 64 N -4.96 3.65 -0.41 4.20 0.01 -1.26 -5.07 114.94 111.09 3dky s ASN 64 Ca -0.14 -1.09 -0.29 0.00 -0.71 0.00 0.00 52.86 50.62 3dky s ASN 64 Cb 0.05 -0.32 -0.09 0.00 0.41 0.00 0.00 41.25 41.30 3dky s ASN 64 CO 0.65 -0.05 2.33 -2.65 -1.51 0.00 0.00 177.10 175.86 3dky n PRO 65 N -0.69 1.24 -4.59 -0.60 -0.02 -1.26 -4.69 135.00 124.39 3dky n PRO 65 Ca -0.05 0.24 -0.27 0.00 -2.02 0.00 0.00 63.50 61.40 3dky n PRO 65 Cb 0.61 -2.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.03 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 9.50 1.61 0.49 -1.45 -7.23 -1.26 -4.96 120.40 117.09 3dky s VAL 66 Ca 1.05 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 3dky s VAL 66 Cb -0.50 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 3dky s VAL 66 CO 0.37 0.00 0.76 0.42 -0.31 0.00 0.00 175.10 176.34 3dky s THR 67 N -2.90 4.42 0.22 5.32 -4.23 -1.26 -4.62 115.64 112.59 3dky s THR 67 Ca 0.30 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 3dky s THR 67 Cb 0.08 -3.68 0.17 0.00 1.34 0.00 0.00 72.50 70.41 3dky s THR 67 CO 0.15 -0.61 1.73 0.00 -0.54 0.00 0.00 174.62 175.35 3dky h ALA 68 N 0.22 0.82 0.00 3.99 0.00 -2.01 -2.98 119.26 119.31 3dky h ALA 68 Ca -0.47 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3dky h ALA 68 Cb 1.23 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3dky h ALA 68 CO 0.60 -0.24 -0.37 -0.44 0.00 0.00 0.00 179.25 178.80 3dky h ASP 69 N 0.36 0.00 0.52 0.00 5.19 -1.95 -2.70 116.42 117.83 3dky h ASP 69 Ca 0.33 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.68 3dky h ASP 69 Cb 0.47 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3dky h ASP 69 CO -0.37 0.37 -0.32 0.77 -3.12 0.00 0.00 179.24 176.58 3dky h SER 70 N 0.00 0.00 0.07 6.45 4.64 -1.92 -2.21 113.55 120.58 3dky h SER 70 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dky h SER 70 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dky h SER 70 CO 0.05 0.32 -0.03 0.58 -0.87 0.00 0.00 176.83 176.88 3dky h VAL 71 N 0.00 0.92 -1.00 0.95 2.07 -1.54 -2.82 116.25 114.82 3dky h VAL 71 Ca -0.00 -1.48 0.20 0.00 0.82 0.00 0.00 66.70 66.24 3dky h VAL 71 Cb 0.67 1.67 -0.11 0.00 -1.52 0.00 0.00 31.29 32.00 3dky h VAL 71 CO 0.04 0.28 0.61 -0.09 0.02 0.00 0.00 177.57 178.44 3dky h ARG 72 N -0.94 0.69 0.00 1.57 2.43 -1.37 0.18 114.38 116.93 3dky h ARG 72 Ca -0.01 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3dky h ARG 72 Cb 0.54 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3dky h ARG 72 CO 0.02 0.46 -1.14 0.87 -1.51 0.00 0.00 179.97 178.67 3dky h LYS 73 N 0.71 0.00 -0.46 0.20 1.57 -1.56 -2.34 116.57 114.70 3dky h LYS 73 Ca 0.60 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.32 3dky h LYS 73 Cb 0.99 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3dky h LYS 73 CO -0.40 0.51 0.06 -0.22 -0.57 0.00 0.00 179.45 178.83 3dky h LYS 74 N 0.00 0.73 0.10 3.15 3.64 -0.87 -1.91 116.57 121.40 3dky h LYS 74 Ca -0.11 -0.16 -0.27 0.00 -1.27 0.00 0.00 60.65 58.84 3dky h LYS 74 Cb 1.64 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 3dky h LYS 74 CO 0.07 0.70 -1.29 0.82 -2.27 0.00 0.00 179.45 177.48 3dky h ILE 75 N 0.69 1.43 0.73 2.00 1.08 -1.08 -3.28 117.51 119.08 3dky h ILE 75 Ca 0.15 -3.05 -0.04 0.00 -0.39 0.00 0.00 64.86 61.53 3dky h ILE 75 Cb 0.34 2.86 0.01 0.00 -3.07 0.00 0.00 36.82 36.96 3dky h ILE 75 CO 0.01 0.87 -0.35 0.11 -0.69 0.00 0.00 178.15 178.10 3dky h LYS 76 N 0.06 -0.94 -0.11 2.37 1.57 -1.33 -1.12 116.57 117.06 3dky h LYS 76 Ca -0.14 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3dky h LYS 76 Cb 1.95 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.47 3dky h LYS 76 CO 0.17 -0.61 0.00 1.28 -0.57 0.00 0.00 179.45 179.72 3dky n LEU 77 N -5.49 0.11 0.00 2.94 4.32 -0.73 -0.35 117.00 117.80 3dky n LEU 77 Ca -0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 3dky n LEU 77 Cb 0.40 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3dky n LEU 77 CO 0.37 0.03 -0.12 -0.11 -1.22 0.00 0.00 177.39 176.34 3dky n LEU 78 N -0.03 0.00 0.00 2.23 -0.00 -0.93 -4.89 117.00 113.37 3dky n LEU 78 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3dky n LEU 78 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 3dky n LEU 78 CO 0.00 0.00 -0.00 0.18 -0.00 0.00 0.00 177.39 177.57 3dky n LEU 79 N -0.39 0.00 0.00 -1.96 4.77 -0.47 -4.94 117.00 114.01 3dky n LEU 79 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 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 0.08 1.26 0.00 -0.72 0.00 0.53 -4.34 105.19 101.99 3dky n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dky n GLY 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dky n VAL 87 N -0.04 0.00 -3.68 1.61 0.31 -1.26 -4.55 118.33 110.72 3dky n VAL 87 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 3dky n VAL 87 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3dky n VAL 87 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3dky s GLN 88 N 0.00 3.58 -0.15 5.55 1.11 -0.51 -4.96 119.66 124.28 3dky s GLN 88 Ca 0.00 -0.17 -0.18 0.00 0.01 0.00 0.00 55.36 55.02 3dky s GLN 88 Cb 0.00 -2.85 -0.04 0.00 -1.01 0.00 0.00 33.01 29.11 3dky s GLN 88 CO 0.00 0.45 0.50 0.54 0.01 0.00 0.00 175.29 176.80 3dky s VAL 89 N -1.71 5.15 0.07 1.09 0.11 -1.26 -1.60 120.40 122.25 3dky s VAL 89 Ca 0.40 0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 60.13 3dky s VAL 89 Cb -0.12 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.85 3dky s VAL 89 CO 0.26 0.26 0.94 -0.69 -3.33 0.00 0.00 175.10 172.54 3dky s VAL 90 N 1.09 4.63 -0.23 2.04 1.01 0.18 -4.91 120.40 124.21 3dky s VAL 90 Ca 0.25 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.32 3dky s VAL 90 Cb -0.15 -4.29 -0.20 0.00 0.00 0.00 0.00 36.38 31.73 3dky s VAL 90 CO 0.10 0.28 -0.08 0.18 0.00 0.00 0.00 175.10 175.58 3dky n LEU 91 N 3.08 1.88 -3.86 3.92 4.32 -1.26 -4.62 117.00 120.46 3dky n LEU 91 Ca 0.03 -0.07 -0.30 0.00 -0.02 0.00 0.00 56.01 55.65 3dky n LEU 91 Cb 0.50 -0.40 -0.15 0.00 -1.62 0.00 0.00 43.42 41.74 3dky n LEU 91 CO 0.51 0.77 -0.35 0.21 -1.22 0.00 0.00 177.39 177.31 3dky s ASN 92 N -6.17 4.15 0.31 -1.43 2.47 -1.26 -5.01 114.94 107.99 3dky s ASN 92 Ca -0.25 -1.65 -0.01 0.00 0.42 0.00 0.00 52.86 51.37 3dky s ASN 92 Cb 0.08 -1.13 0.48 0.00 -1.45 0.00 0.00 41.25 39.23 3dky s ASN 92 CO 0.69 -0.36 1.95 0.58 -3.72 0.00 0.00 177.10 176.24 3dky h VAL 93 N 6.56 1.20 -0.59 -5.21 2.07 -1.95 -1.14 116.25 117.20 3dky h VAL 93 Ca -0.12 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 3dky h VAL 93 Cb 1.03 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3dky h VAL 93 CO 0.47 0.21 -0.01 -0.08 0.02 0.00 0.00 177.57 178.18 3dky h GLU 94 N 0.99 1.03 -0.48 1.57 4.81 -1.93 -1.60 114.58 118.97 3dky h GLU 94 Ca 0.26 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3dky h GLU 94 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3dky h GLU 94 CO -0.05 1.01 -0.15 -0.97 -0.73 0.00 0.00 179.01 178.12 3dky h ASN 95 N 0.94 0.92 0.59 1.04 -1.24 -1.68 -1.60 115.58 114.55 3dky h ASN 95 Ca 0.17 -0.31 -0.11 0.00 0.71 0.00 0.00 56.30 56.76 3dky h ASN 95 Cb 0.55 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 3dky h ASN 95 CO 0.03 1.06 -0.53 -0.03 -1.29 0.00 0.00 177.43 176.67 3dky h MET 96 N 0.81 0.00 -0.12 6.67 4.05 -1.21 -1.41 114.93 123.72 3dky h MET 96 Ca 0.12 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.38 3dky h MET 96 Cb 0.69 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 3dky h MET 96 CO 0.05 0.53 -0.60 -0.92 0.23 0.00 0.00 176.91 176.19 3dky h TYR 97 N 0.00 0.51 0.00 1.39 3.20 -1.04 -2.64 116.97 118.39 3dky h TYR 97 Ca -0.01 -0.19 -0.10 0.00 3.14 0.00 0.00 58.73 61.57 3dky h TYR 97 Cb 0.96 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3dky h TYR 97 CO 0.00 0.90 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.85 3dky h LEU 98 N 0.30 0.00 -1.08 2.82 3.38 -1.21 -3.21 115.31 116.31 3dky h LEU 98 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3dky h LEU 98 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3dky h LEU 98 CO 0.10 0.50 -0.33 0.22 0.09 0.00 0.00 178.44 179.02 3dky h TYR 99 N 0.00 0.00 -0.45 1.13 5.03 -0.91 -0.86 116.97 120.92 3dky h TYR 99 Ca -0.00 0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.43 3dky h TYR 99 Cb 1.06 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.32 3dky h TYR 99 CO 0.00 0.33 0.36 -0.07 -1.32 0.00 0.00 178.16 177.46 3dky h LEU 100 N 0.00 0.00 -3.04 2.82 3.38 -1.49 -0.70 115.31 116.28 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3dky h LEU 100 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 3dky n THR 101 N -4.18 1.53 -2.27 0.22 -2.24 -1.05 -4.24 114.28 102.04 3dky n THR 101 Ca 0.08 -1.44 -0.12 0.00 -2.27 0.00 0.00 64.05 60.29 3dky n THR 101 Cb 0.56 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.22 -1.26 -1.06 4.78 8.25 -0.27 -2.13 115.22 123.30 3dky n HIS 102 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.60 3dky n HIS 102 Cb 0.58 -2.70 0.30 0.00 1.12 0.00 0.00 29.99 29.28 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 -2.65 3.44 -2.90 -0.41 1.02 -0.35 -4.12 120.64 114.67 3dky n GLU 103 Ca -0.14 -3.05 -0.19 0.00 -0.02 0.00 0.00 57.16 53.77 3dky n GLU 103 Cb 0.58 -2.07 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.45 5.43 0.10 1.62 1.04 -1.21 -4.87 113.70 114.36 3dky s SER 104 Ca 0.50 -0.37 -0.22 0.00 0.48 0.00 0.00 55.95 56.34 3dky s SER 104 Cb 0.40 -0.56 -0.12 0.00 0.10 0.00 0.00 66.02 65.84 3dky s SER 104 CO 0.11 -0.98 1.73 0.11 0.98 0.00 0.00 173.24 175.19 3dky h LYS 105 N 0.39 0.10 -0.15 4.02 1.57 -1.94 -0.28 116.57 120.28 3dky h LYS 105 Ca -0.39 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.43 3dky h LYS 105 Cb 1.28 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 3dky h LYS 105 CO 0.46 0.09 -0.33 0.38 -0.57 0.00 0.00 179.45 179.48 3dky h ASP 106 N 0.08 -1.01 0.39 0.86 2.03 -1.96 -3.10 116.42 113.71 3dky h ASP 106 Ca 0.03 0.15 -0.16 0.00 -0.73 0.00 0.00 57.03 56.32 3dky h ASP 106 Cb 0.01 0.43 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 3dky h ASP 106 CO -0.01 -0.36 -0.67 0.00 -1.03 0.00 0.00 179.24 177.18 3dky h ALA 107 N 0.43 0.76 -0.41 4.15 0.00 -1.85 -2.98 119.26 119.35 3dky h ALA 107 Ca 0.10 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3dky h ALA 107 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dky h ALA 107 CO -0.36 0.77 -0.09 0.82 0.00 0.00 0.00 179.25 180.38 3dky h ILE 108 N 0.18 1.25 0.00 0.00 2.04 -1.05 -2.15 117.51 117.78 3dky h ILE 108 Ca -0.02 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 3dky h ILE 108 Cb 1.20 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3dky h ILE 108 CO 0.10 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.61 3dky h ALA 109 N 1.23 0.99 -0.20 1.87 0.00 -1.57 -2.66 119.26 118.91 3dky h ALA 109 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dky h ALA 109 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dky h ALA 109 CO 0.03 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.94 3dky n LYS 110 N -3.11 1.78 -2.94 0.00 5.02 -1.08 -4.97 118.16 112.86 3dky n LYS 110 Ca 0.04 -1.18 -0.20 0.00 -2.02 0.00 0.00 58.31 54.94 3dky n LYS 110 Cb 0.51 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.41 -3.48 -2.08 1.97 5.02 -0.85 -4.94 118.16 114.21 3dky n LYS 111 Ca 0.16 0.71 -0.33 0.00 -2.02 0.00 0.00 58.31 56.82 3dky n LYS 111 Cb 0.34 -5.44 0.01 0.00 -0.02 0.00 0.00 35.03 29.92 3dky n LYS 111 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dky s LYS 112 N -5.59 3.26 -0.44 1.97 1.02 -0.92 -4.89 119.74 114.14 3dky s LYS 112 Ca 0.24 1.34 -0.27 0.00 0.02 0.00 0.00 55.97 57.30 3dky s LYS 112 Cb -0.12 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 3dky s LYS 112 CO 0.29 -0.88 2.17 -1.58 -0.92 0.00 0.00 175.35 174.44 3dky s HIS 113 N -2.24 1.31 0.19 3.18 5.65 -1.26 -4.92 115.29 117.20 3dky s HIS 113 Ca 0.66 1.08 -0.32 0.00 0.25 0.00 0.00 55.06 56.73 3dky s HIS 113 Cb -0.18 -3.83 -0.11 0.00 -1.18 0.00 0.00 32.58 27.27 3dky s HIS 113 CO 0.34 -2.84 1.65 0.08 -0.65 0.00 0.00 174.74 173.32 3dky s VAL 114 N 10.08 2.28 0.42 0.89 1.01 -1.26 -4.75 120.40 129.08 3dky s VAL 114 Ca 0.89 0.20 0.08 0.00 0.00 0.00 0.00 61.98 63.15 3dky s VAL 114 Cb -0.20 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3dky s VAL 114 CO 0.28 0.02 0.45 -0.31 0.00 0.00 0.00 175.10 175.54 3dky s TYR 115 N 1.11 2.69 -0.27 5.22 1.51 -0.91 -5.03 117.35 121.68 3dky s TYR 115 Ca 0.72 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 56.02 3dky s TYR 115 Cb -0.47 -2.24 0.01 0.00 -0.11 0.00 0.00 41.96 39.15 3dky s TYR 115 CO 0.32 -0.25 1.13 0.34 -1.11 0.00 0.00 175.55 175.98 3dky s ASP 116 N -4.22 6.94 0.12 2.29 -1.08 -1.26 -4.90 116.67 114.56 3dky s ASP 116 Ca 0.51 1.28 0.14 0.00 -0.52 0.00 0.00 52.55 53.95 3dky s ASP 116 Cb -0.06 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.52 3dky s ASP 116 CO 0.30 -0.83 1.44 2.29 0.52 0.00 0.00 175.17 178.89 3dky n LYS 117 N 6.74 0.07 0.14 4.34 2.85 -1.26 -1.97 118.16 129.08 3dky n LYS 117 Ca 0.13 0.43 0.13 0.00 -1.05 0.00 0.00 58.31 57.94 3dky n LYS 117 Cb 0.46 -1.68 0.43 0.00 -0.65 0.00 0.00 35.03 33.60 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 2.22 1.00 0.00 0.58 0.00 -2.03 -3.17 119.26 117.86 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dky h ALA 118 CO 0.00 0.00 -0.57 -0.25 0.00 0.00 0.00 179.25 178.43 3dky n ASP 119 N -2.42 0.61 -4.69 0.00 8.00 -0.83 -4.88 116.55 112.33 3dky n ASP 119 Ca 0.04 0.02 -0.44 0.00 0.71 0.00 0.00 54.79 55.12 3dky n ASP 119 Cb 0.36 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.90 1.15 -4.65 0.53 5.41 -1.20 -4.24 119.36 114.46 3dky n ILE 120 Ca 0.04 -0.29 -0.33 0.00 1.00 0.00 0.00 62.75 63.17 3dky n ILE 120 Cb 0.40 -1.57 -0.15 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.68 3.24 -0.39 0.38 1.02 0.23 -4.95 119.74 118.58 3dky s LYS 121 Ca 0.65 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 55.81 3dky s LYS 121 Cb -0.61 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.16 3dky s LYS 121 CO 0.52 0.08 0.21 -0.51 -0.92 0.00 0.00 175.35 174.73 3dky s LEU 122 N 0.67 4.89 0.18 3.17 1.43 -1.26 -0.20 118.68 127.55 3dky s LEU 122 Ca -0.08 -1.32 -0.23 0.00 -1.03 0.00 0.00 54.13 51.47 3dky s LEU 122 Cb -0.16 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 3dky s LEU 122 CO 0.02 -0.46 0.74 -0.63 0.23 0.00 0.00 176.35 176.25 3dky s ILE 123 N 1.45 4.48 -1.41 -0.59 -1.09 0.39 -4.33 121.20 120.09 3dky s ILE 123 Ca 0.02 1.50 -0.11 0.00 -2.23 0.00 0.00 60.65 59.83 3dky s ILE 123 Cb -0.21 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.74 3dky s ILE 123 CO 0.03 0.41 0.63 0.59 -1.23 0.00 0.00 174.94 175.37 3dky n ASN 124 N 1.29 -3.97 -1.13 3.58 3.02 -1.26 -2.24 115.26 114.55 3dky n ASN 124 Ca -0.05 -0.55 -0.08 0.00 -0.03 0.00 0.00 54.58 53.88 3dky n ASN 124 Cb 0.50 -3.25 0.01 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.45 -3.05 -4.64 6.41 4.13 -1.26 -4.59 115.26 109.81 3dky n ASN 125 Ca 0.01 -0.08 -0.45 0.00 1.68 0.00 0.00 54.58 55.73 3dky n ASN 125 Cb 0.53 -2.07 -0.03 0.00 -1.54 0.00 0.00 39.78 36.68 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 -3.76 1.81 -3.55 3.10 -0.00 -1.15 -4.99 117.46 108.93 3dky n PHE 126 Ca -0.05 0.56 -0.24 0.00 -0.00 0.00 0.00 57.45 57.72 3dky n PHE 126 Cb 0.55 -2.37 -0.15 0.00 -0.00 0.00 0.00 39.48 37.50 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 -0.01 2.24 0.61 -2.13 2.15 -1.26 -4.94 116.67 113.33 3dky s ASP 127 Ca 0.66 -0.63 0.30 0.00 0.43 0.00 0.00 52.55 53.31 3dky s ASP 127 Cb -0.70 -0.05 1.66 0.00 -0.30 0.00 0.00 42.92 43.54 3dky s ASP 127 CO 0.54 -0.36 2.03 -0.29 -0.17 0.00 0.00 175.17 176.91 3dky h ILE 128 N 6.38 0.31 -0.87 4.11 6.09 -2.01 0.24 117.51 131.77 3dky h ILE 128 Ca -0.16 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.36 3dky h ILE 128 Cb 1.12 0.75 -0.05 0.00 0.47 0.00 0.00 36.82 39.12 3dky h ILE 128 CO 0.32 0.00 0.57 0.44 -3.07 0.00 0.00 178.15 176.41 3dky h ASP 129 N 0.00 0.92 0.00 2.19 3.32 -1.99 -0.98 116.42 119.88 3dky h ASP 129 Ca 0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dky h ASP 129 Cb 0.68 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3dky h ASP 129 CO -0.00 0.63 0.00 -2.11 -1.72 0.00 0.00 179.24 176.04 3dky n ARG 130 N -4.45 0.46 0.00 3.56 1.85 0.86 -0.59 116.66 118.35 3dky n ARG 130 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3dky n ARG 130 Cb 0.11 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 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 0.67 0.00 -1.70 2.89 0.53 -0.37 -4.83 117.16 114.35 3dky n TYR 131 Ca 0.00 -0.03 -0.33 0.00 -1.02 0.00 0.00 57.90 56.51 3dky n TYR 131 Cb 0.21 -0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.48 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 -0.03 4.34 -1.33 -0.72 0.24 0.24 -4.82 118.33 116.26 3dky n VAL 132 Ca 0.00 -3.54 -0.35 0.00 -2.04 0.00 0.00 64.34 58.41 3dky n VAL 132 Cb 0.47 -1.93 0.11 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 1.59 3.05 -2.96 3.34 5.66 -1.26 -5.00 114.28 118.70 3dky n THR 133 Ca 0.57 -0.31 -0.32 0.00 -3.05 0.00 0.00 64.05 60.94 3dky n THR 133 Cb 0.40 -1.29 -0.06 0.00 -1.55 0.00 0.00 70.33 67.83 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 -5.03 3.98 0.61 1.09 1.43 -1.26 -5.02 118.68 114.48 3dky s LEU 134 Ca 0.76 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 55.12 3dky s LEU 134 Cb -0.32 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 3dky s LEU 134 CO 0.47 -0.30 0.91 0.47 0.23 0.00 0.00 176.35 178.13 3dky n ASP 135 N -0.60 0.51 -0.19 2.29 8.00 -1.26 -4.84 116.55 120.45 3dky n ASP 135 Ca 0.05 0.79 -0.01 0.00 0.71 0.00 0.00 54.79 56.33 3dky n ASP 135 Cb 0.54 -1.36 0.22 0.00 -0.02 0.00 0.00 41.12 40.50 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 0.40 1.21 -0.53 2.53 2.07 -2.01 -2.53 116.25 117.39 3dky h VAL 136 Ca -0.48 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 3dky h VAL 136 Cb 1.37 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3dky h VAL 136 CO 0.50 0.23 0.11 -0.33 0.02 0.00 0.00 177.57 178.09 3dky h GLU 137 N 0.96 0.86 -0.46 1.57 4.39 -2.00 -2.33 114.58 117.56 3dky h GLU 137 Ca 0.24 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.82 3dky h GLU 137 Cb 0.02 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.48 3dky h GLU 137 CO -0.04 0.83 -0.04 0.93 -1.16 0.00 0.00 179.01 179.53 3dky h GLU 138 N 0.74 0.07 -0.45 2.33 5.08 -1.81 0.29 114.58 120.84 3dky h GLU 138 Ca 0.16 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3dky h GLU 138 Cb 0.37 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 3dky h GLU 138 CO 0.01 0.05 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.79 3dky h LYS 139 N 0.07 0.06 -0.39 2.33 3.64 -1.10 0.16 116.57 121.34 3dky h LYS 139 Ca 0.23 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3dky h LYS 139 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3dky h LYS 139 CO -0.42 0.04 0.21 1.15 -2.27 0.00 0.00 179.45 178.17 3dky h THR 140 N 0.06 1.15 0.04 1.00 2.02 -0.85 -0.46 112.91 115.86 3dky h THR 140 Ca 0.22 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.05 3dky h THR 140 Cb 0.33 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3dky h THR 140 CO -0.41 0.15 -0.25 -0.08 0.37 0.00 0.00 175.52 175.30 3dky h GLU 141 N 0.50 -0.40 -0.52 6.66 4.81 0.69 -2.24 114.58 124.09 3dky h GLU 141 Ca 0.14 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3dky h GLU 141 Cb 0.05 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3dky h GLU 141 CO -0.02 -0.26 0.26 -0.07 -0.73 0.00 0.00 179.01 178.19 3dky h LEU 142 N -0.41 0.67 -0.79 1.64 3.38 -0.56 -2.29 115.31 116.95 3dky h LEU 142 Ca 0.05 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3dky h LEU 142 Cb 0.48 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 3dky h LEU 142 CO -0.20 0.60 0.38 0.15 0.09 0.00 0.00 178.44 179.46 3dky h PHE 143 N 0.69 0.67 0.00 1.13 3.57 -0.85 0.15 116.94 122.31 3dky h PHE 143 Ca 0.18 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3dky h PHE 143 Cb 0.09 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3dky h PHE 143 CO -0.01 0.17 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.21 3dky h ASN 144 N 0.58 0.00 -0.01 0.41 -0.26 -0.84 0.23 115.58 115.69 3dky h ASN 144 Ca 0.42 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.97 3dky h ASN 144 Cb 0.57 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.84 3dky h ASN 144 CO -0.35 0.12 -0.75 0.58 -1.06 0.00 0.00 177.43 175.97 3dky h VAL 145 N 0.00 1.37 0.00 2.81 2.07 -0.58 -2.70 116.25 119.22 3dky h VAL 145 Ca -0.00 -2.11 -0.04 0.00 0.82 0.00 0.00 66.70 65.37 3dky h VAL 145 Cb 0.31 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3dky h VAL 145 CO 0.02 0.63 -0.17 0.58 0.02 0.00 0.00 177.57 178.65 3dky h VAL 146 N 0.09 0.99 0.13 2.57 2.07 0.18 0.26 116.25 122.55 3dky h VAL 146 Ca -0.09 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3dky h VAL 146 Cb 1.43 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3dky h VAL 146 CO 0.15 0.17 -0.06 0.58 0.02 0.00 0.00 177.57 178.42 3dky h VAL 147 N 0.00 0.00 -1.15 2.57 2.07 -0.65 -1.88 116.25 117.21 3dky h VAL 147 Ca -0.00 -0.08 0.32 0.00 0.82 0.00 0.00 66.70 67.76 3dky h VAL 147 Cb 0.33 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 3dky h VAL 147 CO 0.02 0.00 0.79 0.77 0.02 0.00 0.00 177.57 179.17 3dky h SER 148 N -0.26 0.20 -0.44 0.57 4.64 -1.17 0.43 113.55 117.52 3dky h SER 148 Ca -0.02 0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3dky h SER 148 Cb 0.14 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3dky h SER 148 CO 0.03 0.02 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.79 3dky h LEU 149 N 0.16 0.89 -0.47 5.97 3.38 -0.46 -0.45 115.31 124.33 3dky h LEU 149 Ca 0.60 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 3dky h LEU 149 Cb 2.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 3dky h LEU 149 CO -0.16 1.07 -0.70 0.40 0.09 0.00 0.00 178.44 179.14 3dky h ILE 150 N 0.71 1.40 0.26 1.22 2.04 0.60 -2.87 117.51 120.86 3dky h ILE 150 Ca 0.11 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 3dky h ILE 150 Cb 0.70 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3dky h ILE 150 CO 0.05 0.64 -0.12 0.03 0.00 0.00 0.00 178.15 178.75 3dky h ARG 151 N 0.23 -0.33 -0.70 2.37 3.08 -0.87 -2.13 114.38 116.02 3dky h ARG 151 Ca -0.02 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3dky h ARG 151 Cb 1.26 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.30 3dky h ARG 151 CO 0.12 -0.22 -0.49 0.00 -1.07 0.00 0.00 179.97 178.30 3dky h ALA 152 N -1.83 -0.54 -0.42 0.04 0.00 -1.14 -2.13 119.26 113.24 3dky h ALA 152 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dky h ALA 152 Cb 0.26 1.25 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3dky h ALA 152 CO 0.06 -0.85 0.00 0.66 0.00 0.00 0.00 179.25 179.11 3dky n TYR 153 N -4.92 0.62 -3.95 0.00 4.01 -1.08 -4.93 117.16 106.91 3dky n TYR 153 Ca 0.00 -0.30 -0.29 0.00 -0.16 0.00 0.00 57.90 57.15 3dky n TYR 153 Cb 0.24 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.73 -3.38 -2.35 -0.72 -1.04 -0.80 -4.87 114.28 101.84 3dky n THR 154 Ca 0.14 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.05 61.13 3dky n THR 154 Cb 0.39 -2.78 -0.03 0.00 -1.82 0.00 0.00 70.33 66.09 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 -6.96 4.34 0.03 -4.42 1.43 -0.95 -4.91 118.68 107.24 3dky s LEU 155 Ca 0.14 2.03 0.25 0.00 -1.03 0.00 0.00 54.13 55.53 3dky s LEU 155 Cb -0.06 -3.57 0.48 0.00 0.03 0.00 0.00 46.19 43.07 3dky s LEU 155 CO 0.90 -0.57 1.40 0.00 0.23 0.00 0.00 176.35 178.31 3dky n GLN 156 N 4.51 0.09 -3.61 1.70 6.02 -1.26 -4.70 117.38 120.13 3dky n GLN 156 Ca 0.11 0.02 -0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3dky n GLN 156 Cb 0.45 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 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 -3.36 -0.06 0.52 1.08 2.20 -1.26 -4.51 114.94 109.56 3dky s ASN 157 Ca 0.10 -0.04 0.35 0.00 -0.94 0.00 0.00 52.86 52.32 3dky s ASN 157 Cb 0.16 0.10 1.88 0.00 -2.00 0.00 0.00 41.25 41.39 3dky s ASN 157 CO 0.70 -0.17 2.08 -0.29 -2.94 0.00 0.00 177.10 176.48 3dky h ILE 158 N 2.00 0.00 -0.01 0.54 2.10 -1.98 0.08 117.51 120.24 3dky h ILE 158 Ca -0.19 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.70 3dky h ILE 158 Cb 1.17 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 3dky h ILE 158 CO 0.25 0.00 -0.05 -0.26 -1.08 0.00 0.00 178.15 177.01 3dky h PHE 159 N 0.00 0.07 -0.23 2.19 0.05 -1.99 -1.66 116.94 115.37 3dky h PHE 159 Ca 0.00 -0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.81 3dky h PHE 159 Cb 0.04 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 3dky h PHE 159 CO 0.00 0.70 0.16 -0.44 -0.18 0.00 0.00 178.31 178.55 3dky h ASP 160 N -0.58 0.06 -0.06 2.17 5.19 -1.42 -0.98 116.42 120.81 3dky h ASP 160 Ca -0.00 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3dky h ASP 160 Cb 0.70 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 3dky h ASP 160 CO 0.01 0.04 -0.07 0.25 -3.12 0.00 0.00 179.24 176.35 3dky h LEU 161 N 0.07 0.17 0.21 1.55 5.85 -1.26 -2.55 115.31 119.37 3dky h LEU 161 Ca 0.11 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3dky h LEU 161 Cb 0.34 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3dky h LEU 161 CO -0.01 0.64 -0.12 1.88 -0.34 0.00 0.00 178.44 180.49 3dky h TYR 162 N -0.29 -0.32 -0.92 1.25 0.05 -0.71 -0.82 116.97 115.21 3dky h TYR 162 Ca 0.01 -0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.02 3dky h TYR 162 Cb 0.60 0.11 -0.13 0.00 1.01 0.00 0.00 36.73 38.32 3dky h TYR 162 CO 0.10 -0.20 0.43 -0.44 -1.05 0.00 0.00 178.16 177.00 3dky h ASP 163 N -0.32 0.39 0.02 3.88 3.45 -1.29 0.71 116.42 123.26 3dky h ASP 163 Ca -0.02 0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 3dky h ASP 163 Cb 0.26 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3dky h ASP 163 CO 0.03 0.00 -0.01 0.15 -1.57 0.00 0.00 179.24 177.85 3dky h PHE 164 N 0.42 -0.02 -0.83 4.55 3.04 -0.94 -2.95 116.94 120.22 3dky h PHE 164 Ca 0.58 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.55 3dky h PHE 164 Cb 1.13 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.60 3dky h PHE 164 CO -0.11 0.20 0.55 0.82 -2.02 0.00 0.00 178.31 177.75 3dky h ILE 165 N -0.24 1.19 -0.71 1.41 1.08 0.43 -2.34 117.51 118.33 3dky h ILE 165 Ca -0.00 -0.37 0.14 0.00 -0.39 0.00 0.00 64.86 64.24 3dky h ILE 165 Cb 0.23 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.88 3dky h ILE 165 CO 0.00 0.20 0.20 0.44 -0.69 0.00 0.00 178.15 178.30 3dky h ASP 166 N 1.09 0.08 0.00 1.72 3.45 0.51 -0.58 116.42 122.69 3dky h ASP 166 Ca 0.31 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.90 3dky h ASP 166 Cb -0.08 0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3dky h ASP 166 CO -0.07 0.01 0.00 -0.62 -1.57 0.00 0.00 179.24 176.98 3dky n GLU 167 N -5.11 0.00 -0.05 3.56 1.02 -0.96 -4.40 120.64 114.71 3dky n GLU 167 Ca 0.13 0.40 0.01 0.00 -0.02 0.00 0.00 57.16 57.68 3dky n GLU 167 Cb 0.42 -0.90 0.04 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.85 0.51 -0.03 1.62 4.13 -0.92 -4.42 115.26 114.30 3dky n ASN 168 Ca 0.00 -2.01 -0.12 0.00 1.68 0.00 0.00 54.58 54.13 3dky n ASN 168 Cb 0.00 -0.09 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 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 5.76 -0.76 1.08 7.41 0.00 -1.23 -0.97 103.07 114.35 3dky h GLY 169 Ca 0.00 0.57 0.12 0.00 0.00 0.00 0.00 47.33 48.02 3dky h GLY 169 CO 0.00 -0.21 0.35 0.83 0.00 0.00 0.00 176.54 177.51 3dky h GLU 170 N -0.47 0.12 -0.53 4.80 5.08 -1.77 -0.19 114.58 121.61 3dky h GLU 170 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dky h GLU 170 Cb 0.63 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3dky h GLU 170 CO -0.45 0.08 0.35 1.15 -1.00 0.00 0.00 179.01 179.14 3dky h THR 171 N 0.12 1.14 -0.01 1.13 2.02 -1.51 -0.90 112.91 114.90 3dky h THR 171 Ca 0.23 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3dky h THR 171 Cb 0.77 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3dky h THR 171 CO -0.03 0.13 -0.56 -1.22 0.37 0.00 0.00 175.52 174.21 3dky n TYR 172 N -4.45 0.00 -1.16 3.16 4.02 -0.25 -4.97 117.16 113.51 3dky n TYR 172 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3dky n TYR 172 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 1.07 3.67 2.72 0.00 -0.26 -5.07 105.19 108.69 3dky n GLY 173 Ca 0.07 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.04 3.42 0.00 0.99 1.43 -0.83 -4.97 118.68 118.67 3dky s LEU 174 Ca 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3dky s LEU 174 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3dky s LEU 174 CO 0.00 0.18 0.01 0.35 0.23 0.00 0.00 176.35 177.12 3dky n THR 175 N 0.60 0.00 0.23 5.49 -2.24 -1.26 -3.70 114.28 113.40 3dky n THR 175 Ca -0.11 -1.53 -0.11 0.00 -2.27 0.00 0.00 64.05 60.03 3dky n THR 175 Cb 0.52 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.14 0.00 2.28 1.08 -1.94 -2.82 117.51 117.39 3dky h ILE 176 Ca -0.27 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3dky h ILE 176 Cb 0.82 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 3dky h ILE 176 CO 0.44 0.03 0.02 0.59 -0.69 0.00 0.00 178.15 178.54 3dky n ASN 177 N -5.22 0.00 -0.12 1.72 3.02 -1.26 -1.64 115.26 111.76 3dky n ASN 177 Ca -0.09 0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 3dky n ASN 177 Cb 0.28 -0.30 -0.11 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 -1.29 2.45 -0.06 3.41 7.94 -1.21 -3.56 117.00 124.69 3dky n LEU 178 Ca 0.00 0.13 -0.08 0.00 -1.11 0.00 0.00 56.01 54.95 3dky n LEU 178 Cb 0.02 -0.89 -0.01 0.00 0.53 0.00 0.00 43.42 43.06 3dky n LEU 178 CO 0.00 0.74 0.70 0.58 -1.11 0.00 0.00 177.39 178.30 3dky h VAL 179 N -0.49 0.40 -0.99 1.96 2.07 -1.04 -1.45 116.25 116.72 3dky h VAL 179 Ca -0.61 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.21 3dky h VAL 179 Cb 1.75 0.40 -0.18 0.00 -1.52 0.00 0.00 31.29 31.74 3dky h VAL 179 CO -0.23 0.00 0.14 0.78 0.02 0.00 0.00 177.57 178.28 3dky h ASN 180 N -0.22 -0.31 1.43 0.57 2.35 -1.53 0.79 115.58 118.66 3dky h ASN 180 Ca 0.14 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 3dky h ASN 180 Cb 0.45 0.44 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3dky h ASN 180 CO -0.40 -0.37 -0.15 -0.08 -1.65 0.00 0.00 177.43 174.79 3dky h GLU 181 N 0.01 0.00 0.00 0.81 4.81 -1.37 -2.88 114.58 115.97 3dky h GLU 181 Ca 0.65 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.85 3dky h GLU 181 Cb 1.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 3dky h GLU 181 CO -0.89 0.00 -0.34 0.28 -0.73 0.00 0.00 179.01 177.34 3dky h VAL 182 N 0.00 0.37 0.00 0.32 2.07 0.14 -3.34 116.25 115.80 3dky h VAL 182 Ca 0.00 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3dky h VAL 182 Cb 0.79 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3dky h VAL 182 CO 0.00 0.12 0.00 2.30 0.02 0.00 0.00 177.57 180.01 3dky n ILE 183 N -4.66 0.80 -1.69 4.57 -5.35 0.11 -4.69 119.36 108.45 3dky n ILE 183 Ca -0.08 0.18 -0.43 0.00 -0.27 0.00 0.00 62.75 62.15 3dky n ILE 183 Cb 0.25 -0.95 -0.01 0.00 -1.74 0.00 0.00 39.64 37.19 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 -1.59 1.22 0.00 -1.28 0.00 -1.09 -1.37 120.51 116.41 3dky n ALA 184 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3dky n ALA 184 Cb 0.22 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 0.97 1.22 0.67 0.00 0.00 -1.26 -4.62 105.19 102.17 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 1.06 -0.29 1.61 4.76 -0.47 -4.32 118.16 120.51 3dky n LYS 186 Ca 0.00 -0.06 0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3dky n LYS 186 Cb 0.00 -1.37 0.16 0.00 -1.84 0.00 0.00 35.03 31.98 3dky n LYS 186 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3dky h THR 187 N 0.06 0.91 -0.03 -0.18 1.35 -1.78 -2.53 112.91 110.69 3dky h THR 187 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3dky h THR 187 Cb 0.68 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 3dky h THR 187 CO 0.01 0.14 -0.05 1.23 -0.25 0.00 0.00 175.52 176.61 3dky h GLY 188 N 0.78 -1.87 -0.61 5.82 0.00 -1.92 0.14 103.07 105.41 3dky h GLY 188 Ca 0.39 0.83 0.15 0.00 0.00 0.00 0.00 47.33 48.70 3dky h GLY 188 CO -0.25 -0.69 -0.07 0.33 0.00 0.00 0.00 176.54 175.86 3dky n PHE 189 N -2.93 0.31 0.02 5.60 -0.00 -1.06 -0.40 117.46 119.00 3dky n PHE 189 Ca -0.00 0.74 -0.10 0.00 -0.00 0.00 0.00 57.45 58.09 3dky n PHE 189 Cb 0.03 -0.91 -0.03 0.00 -0.00 0.00 0.00 39.48 38.56 3dky n PHE 189 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 3dky h MET 190 N 0.00 -0.26 -0.70 -4.13 2.86 -0.32 -1.61 114.93 110.77 3dky h MET 190 Ca 0.34 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.17 3dky h MET 190 Cb 0.62 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3dky h MET 190 CO -0.60 -0.17 0.49 -0.22 1.06 0.00 0.00 176.91 177.46 3dky h LYS 191 N -0.27 0.17 -0.38 1.72 1.63 -0.15 0.69 116.57 119.97 3dky h LYS 191 Ca 0.09 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 3dky h LYS 191 Cb 0.39 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3dky h LYS 191 CO -0.25 0.11 0.06 -0.07 -3.45 0.00 0.00 179.45 175.85 3dky h LEU 192 N 0.17 0.61 -0.43 5.20 4.07 -1.18 -1.31 115.31 122.43 3dky h LEU 192 Ca 0.34 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 3dky h LEU 192 Cb 1.10 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 3dky h LEU 192 CO -0.06 0.72 0.17 -0.07 -1.08 0.00 0.00 178.44 178.13 3dky h LEU 193 N 0.48 0.60 -0.27 1.67 3.38 0.74 -0.21 115.31 121.70 3dky h LEU 193 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dky h LEU 193 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dky h LEU 193 CO 0.01 0.60 0.00 0.49 0.09 0.00 0.00 178.44 179.63 3dky n PHE 194 N -4.61 0.45 -0.05 1.13 3.72 0.58 -1.04 117.46 117.64 3dky n PHE 194 Ca 0.01 0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.45 3dky n PHE 194 Cb 0.15 -0.76 -0.14 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 -1.90 0.86 0.16 4.37 8.00 -0.51 -2.31 116.55 125.22 3dky n ASP 195 Ca 0.04 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 3dky n ASP 195 Cb 0.26 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 3.21 -0.91 -0.33 0.44 0.00 -0.48 -0.79 103.07 104.21 3dky h GLY 196 Ca -0.42 0.40 0.11 0.00 0.00 0.00 0.00 47.33 47.42 3dky h GLY 196 CO 0.05 -0.30 -0.26 0.00 0.00 0.00 0.00 176.54 176.03 3dky h ALA 197 N -1.42 0.14 0.10 3.60 0.00 -1.23 0.43 119.26 120.88 3dky h ALA 197 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dky h ALA 197 Cb 0.43 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3dky h ALA 197 CO -0.00 -0.57 -0.21 -0.92 0.00 0.00 0.00 179.25 177.54 3dky h TYR 198 N -0.11 -0.61 0.00 0.00 3.20 -1.34 -0.96 116.97 117.16 3dky h TYR 198 Ca 0.26 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3dky h TYR 198 Cb 0.52 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3dky h TYR 198 CO -0.57 -0.25 0.00 0.00 -1.64 0.00 0.00 178.16 175.69 3dky n GLN 199 N -3.65 0.08 0.07 1.82 10.64 -0.31 -1.42 117.38 124.61 3dky n GLN 199 Ca -0.04 0.25 -0.21 0.00 -1.83 0.00 0.00 57.00 55.17 3dky n GLN 199 Cb 0.18 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 27.91 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 0.35 0.00 2.61 9.65 0.63 -3.30 114.38 124.32 3dky h ARG 200 Ca 0.00 -0.60 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 3dky h ARG 200 Cb 0.14 0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3dky h ARG 200 CO 0.00 1.29 -0.04 0.66 2.80 0.00 0.00 179.97 184.68 3dky h SER 201 N -0.26 0.00 0.44 -3.80 4.64 0.00 -2.51 113.55 112.06 3dky h SER 201 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3dky h SER 201 Cb 1.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 3dky h SER 201 CO 0.18 0.04 0.00 1.17 -0.87 0.00 0.00 176.83 177.35 3dky n LYS 202 N -3.14 0.16 0.10 4.77 4.81 -0.83 -3.44 118.16 120.59 3dky n LYS 202 Ca 0.01 0.15 -0.05 0.00 -0.87 0.00 0.00 58.31 57.55 3dky n LYS 202 Cb 0.37 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 34.00 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 0.11 0.00 1.64 2.43 -1.57 -3.51 114.38 113.48 3dky h ARG 203 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3dky h ARG 203 Cb 0.22 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3dky h ARG 203 CO 0.00 0.78 0.00 0.41 -1.51 0.00 0.00 179.97 179.65