#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwb s LEU 2 N 0.00 3.21 -0.13 4.03 2.96 -1.07 -2.48 118.68 125.20 2kwb s LEU 2 Ca 0.00 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2kwb s LEU 2 Cb 0.00 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2kwb s LEU 2 CO 0.00 0.18 -0.18 0.27 -1.32 0.00 0.00 176.35 175.31 2kwb s ILE 3 N 0.27 2.53 0.09 6.68 -4.36 -0.59 -0.02 121.20 125.80 2kwb s ILE 3 Ca -0.04 -0.84 0.09 0.00 -0.26 0.00 0.00 60.65 59.61 2kwb s ILE 3 Cb -0.14 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 2kwb s ILE 3 CO 0.03 0.53 -0.25 -0.72 0.24 0.00 0.00 174.94 174.78 2kwb s TYR 4 N 0.57 2.12 -0.18 1.37 1.13 0.15 0.03 117.35 122.55 2kwb s TYR 4 Ca -0.11 -0.40 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 2kwb s TYR 4 Cb -0.16 -1.20 0.03 0.00 -1.10 0.00 0.00 41.96 39.53 2kwb s TYR 4 CO 0.04 0.21 -0.13 0.21 -2.51 0.00 0.00 175.55 173.37 2kwb s LYS 5 N -1.66 2.21 1.09 -3.49 2.20 -0.92 -2.39 119.74 116.79 2kwb s LYS 5 Ca 0.11 -0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 54.84 2kwb s LYS 5 Cb -0.10 -2.30 0.24 0.00 -1.51 0.00 0.00 37.83 34.16 2kwb s LYS 5 CO 0.04 -0.33 1.10 0.34 -0.36 0.00 0.00 175.35 176.14 2kwb s ASP 6 N 1.42 1.82 -0.11 1.43 2.15 -1.26 -2.59 116.67 119.53 2kwb s ASP 6 Ca 0.02 0.93 -0.28 0.00 0.43 0.00 0.00 52.55 53.65 2kwb s ASP 6 Cb -0.15 -1.42 -0.25 0.00 -0.30 0.00 0.00 42.92 40.81 2kwb s ASP 6 CO -0.10 -3.60 0.86 0.40 -0.17 0.00 0.00 175.17 172.57 2kwb h ILE 7 N -2.22 1.71 0.08 4.11 2.04 -1.97 -3.28 117.51 117.98 2kwb h ILE 7 Ca -0.51 -2.16 -0.36 0.00 1.00 0.00 0.00 64.86 62.82 2kwb h ILE 7 Cb 1.32 3.18 -0.04 0.00 -0.74 0.00 0.00 36.82 40.54 2kwb h ILE 7 CO 0.48 0.57 -2.11 0.49 0.00 0.00 0.00 178.15 177.57 2kwb n PHE 8 N -4.62 0.87 -0.59 1.37 3.72 -1.26 -4.16 117.46 112.79 2kwb n PHE 8 Ca -0.10 0.20 0.07 0.00 -0.05 0.00 0.00 57.45 57.57 2kwb n PHE 8 Cb 0.46 -1.12 0.35 0.00 -0.94 0.00 0.00 39.48 38.24 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2kwb n THR 9 N -3.35 2.17 -0.34 4.37 -1.04 -1.26 -4.74 114.28 110.08 2kwb n THR 9 Ca -0.34 -1.19 0.19 0.00 -2.04 0.00 0.00 64.05 60.67 2kwb n THR 9 Cb 1.04 -0.15 0.41 0.00 -1.82 0.00 0.00 70.33 69.81 2kwb n THR 9 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2kwb h ASP 10 N 3.67 0.64 -0.22 8.00 2.03 -1.72 0.10 116.42 128.92 2kwb h ASP 10 Ca 0.00 0.15 0.06 0.00 -0.73 0.00 0.00 57.03 56.51 2kwb h ASP 10 Cb 1.65 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 40.19 2kwb h ASP 10 CO 0.36 0.05 0.19 -0.78 -1.03 0.00 0.00 179.24 178.02 2kwb h ASP 11 N 0.52 0.00 -0.36 4.15 3.58 -1.89 -0.54 116.42 121.88 2kwb h ASP 11 Ca 0.66 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.99 2kwb h ASP 11 Cb 1.34 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.31 2kwb h ASP 11 CO -0.50 0.00 0.15 1.21 -2.88 0.00 0.00 179.24 177.22 2kwb n GLU 12 N -4.17 2.16 -1.25 0.28 2.13 0.35 -4.98 120.64 115.17 2kwb n GLU 12 Ca 0.02 -1.40 -0.49 0.00 0.66 0.00 0.00 57.16 55.96 2kwb n GLU 12 Cb 0.33 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.27 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2kwb n LEU 13 N 0.01 0.70 -4.62 4.31 0.00 -0.21 -4.93 117.00 112.27 2kwb n LEU 13 Ca 0.20 0.87 -0.29 0.00 0.00 0.00 0.00 56.01 56.79 2kwb n LEU 13 Cb 0.86 -0.65 -0.08 0.00 0.00 0.00 0.00 43.42 43.56 2kwb n LEU 13 CO 0.21 -0.78 -0.20 -0.55 0.00 0.00 0.00 177.39 176.07 2kwb s SER 14 N 1.74 3.35 0.08 1.96 0.15 -1.00 -4.95 113.70 115.02 2kwb s SER 14 Ca 0.75 -1.72 0.08 0.00 0.70 0.00 0.00 55.95 55.76 2kwb s SER 14 Cb -1.07 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 2kwb s SER 14 CO 0.56 -0.96 -0.21 -0.94 1.20 0.00 0.00 173.24 172.90 2kwb s SER 15 N -3.73 2.55 0.10 5.45 1.04 -1.26 -0.67 113.70 117.18 2kwb s SER 15 Ca 0.15 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2kwb s SER 15 Cb 0.01 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 2kwb s SER 15 CO 0.10 0.10 0.07 -0.90 0.98 0.00 0.00 173.24 173.60 2kwb n ASP 16 N 1.37 -0.04 -1.22 7.02 5.75 0.97 -4.96 116.55 125.45 2kwb n ASP 16 Ca -0.19 -1.62 -0.01 0.00 -0.01 0.00 0.00 54.79 52.97 2kwb n ASP 16 Cb 0.53 0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 2kwb n ASP 16 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kwb n SER 17 N -2.54 0.07 -4.56 -1.12 3.41 -1.26 -2.61 113.62 105.02 2kwb n SER 17 Ca 0.02 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 2kwb n SER 17 Cb 0.17 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kwb s PHE 18 N 0.00 3.10 -1.12 7.33 0.08 -1.26 -4.98 117.98 121.14 2kwb s PHE 18 Ca 0.17 0.27 -0.22 0.00 0.12 0.00 0.00 56.93 57.28 2kwb s PHE 18 Cb 0.19 -3.30 -0.08 0.00 -0.57 0.00 0.00 43.02 39.27 2kwb s PHE 18 CO -0.08 -0.74 1.92 -0.35 -0.10 0.00 0.00 175.22 175.86 2kwb n PRO 19 N 6.24 1.82 -3.04 0.24 -0.04 -1.26 -4.95 135.00 134.02 2kwb n PRO 19 Ca -0.00 -2.44 -0.37 0.00 -0.04 0.00 0.00 63.50 60.65 2kwb n PRO 19 Cb 0.48 -3.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 2kwb n PRO 19 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2kwb s MET 20 N 5.75 4.37 -0.30 0.54 -1.94 -1.26 -5.01 119.30 121.44 2kwb s MET 20 Ca 0.63 0.99 -0.12 0.00 -1.71 0.00 0.00 55.69 55.48 2kwb s MET 20 Cb 0.04 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 2kwb s MET 20 CO 0.12 0.43 0.22 0.21 -0.01 0.00 0.00 175.02 175.99 2kwb s LYS 21 N -1.76 3.82 0.17 2.03 2.20 -0.88 -4.91 119.74 120.41 2kwb s LYS 21 Ca 0.42 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 2kwb s LYS 21 Cb -0.19 -3.71 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 2kwb s LYS 21 CO 0.22 -0.27 1.08 -1.17 -0.36 0.00 0.00 175.35 174.85 2kwb s LEU 22 N 1.78 4.49 -0.05 5.43 2.96 -1.26 -0.59 118.68 131.43 2kwb s LEU 22 Ca 0.07 2.04 0.05 0.00 -0.22 0.00 0.00 54.13 56.07 2kwb s LEU 22 Cb -0.16 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 2kwb s LEU 22 CO 0.11 -0.20 -0.21 0.54 -1.32 0.00 0.00 176.35 175.27 2kwb s VAL 23 N -0.19 1.72 -1.20 1.68 0.11 0.32 -4.74 120.40 118.11 2kwb s VAL 23 Ca 0.49 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 2kwb s VAL 23 Cb -0.28 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 2kwb s VAL 23 CO 0.34 0.49 0.00 -0.67 -3.33 0.00 0.00 175.10 171.92 2kwb n ASP 24 N 3.12 -5.46 -1.54 3.54 2.03 -1.26 -1.91 116.55 115.07 2kwb n ASP 24 Ca -0.18 0.28 -0.19 0.00 0.52 0.00 0.00 54.79 55.21 2kwb n ASP 24 Cb 0.52 -3.95 -0.08 0.00 -0.72 0.00 0.00 41.12 36.89 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kwb n ASP 25 N -1.00 -5.27 -0.00 1.67 8.00 -1.26 -4.80 116.55 113.89 2kwb n ASP 25 Ca -0.11 0.48 -0.00 0.00 0.71 0.00 0.00 54.79 55.86 2kwb n ASP 25 Cb 0.55 -4.63 -0.00 0.00 -0.02 0.00 0.00 41.12 37.03 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kwb n LEU 26 N -2.26 0.11 -4.13 0.64 7.94 -0.80 -4.83 117.00 113.67 2kwb n LEU 26 Ca -0.19 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.54 2kwb n LEU 26 Cb 0.65 -0.01 -0.12 0.00 0.53 0.00 0.00 43.42 44.47 2kwb n LEU 26 CO 0.30 0.02 -0.44 0.68 -1.11 0.00 0.00 177.39 176.84 2kwb s VAL 27 N -2.01 0.91 0.21 1.96 -7.23 -1.08 -0.96 120.40 112.20 2kwb s VAL 27 Ca -0.01 -1.19 -0.19 0.00 -1.81 0.00 0.00 61.98 58.79 2kwb s VAL 27 Cb 0.00 -0.90 -0.08 0.00 0.56 0.00 0.00 36.38 35.96 2kwb s VAL 27 CO 0.01 -0.26 0.69 -0.31 -0.31 0.00 0.00 175.10 174.92 2kwb s TYR 28 N -1.26 3.65 -0.07 2.82 2.02 0.85 -0.52 117.35 124.84 2kwb s TYR 28 Ca -0.04 1.33 0.05 0.00 -0.37 0.00 0.00 57.07 58.04 2kwb s TYR 28 Cb -0.10 -2.58 -0.00 0.00 -0.40 0.00 0.00 41.96 38.88 2kwb s TYR 28 CO 0.02 0.36 -0.22 -1.83 -1.57 0.00 0.00 175.55 172.31 2kwb s GLU 29 N -1.94 2.44 -0.01 -0.62 -1.05 0.24 -2.42 118.70 115.33 2kwb s GLU 29 Ca 0.42 -0.79 0.01 0.00 -0.15 0.00 0.00 54.97 54.45 2kwb s GLU 29 Cb -0.17 -2.00 0.01 0.00 -0.44 0.00 0.00 34.13 31.54 2kwb s GLU 29 CO 0.21 0.27 -0.02 0.12 0.95 0.00 0.00 175.26 176.78 2kwb s PHE 30 N 0.09 0.31 -0.24 4.83 5.36 -0.96 -2.07 117.98 125.31 2kwb s PHE 30 Ca -0.09 -0.04 -0.18 0.00 -0.96 0.00 0.00 56.93 55.67 2kwb s PHE 30 Cb -0.15 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 2kwb s PHE 30 CO 0.05 -0.06 0.51 -1.59 -1.46 0.00 0.00 175.22 172.67 2kwb s LYS 31 N 0.41 4.11 0.34 10.12 -2.85 -1.26 0.03 119.74 130.64 2kwb s LYS 31 Ca -0.04 0.35 0.08 0.00 -1.00 0.00 0.00 55.97 55.36 2kwb s LYS 31 Cb -0.07 -3.62 -0.03 0.00 -2.06 0.00 0.00 37.83 32.05 2kwb s LYS 31 CO -0.01 -0.28 0.25 0.20 0.10 0.00 0.00 175.35 175.62 2kwb s GLY 32 N 1.40 1.86 0.05 0.59 0.00 -0.59 -5.01 107.32 105.63 2kwb s GLY 32 Ca 0.22 -1.73 0.09 0.00 0.00 0.00 0.00 44.72 43.30 2kwb s GLY 32 CO 0.09 -1.64 -0.24 0.54 0.00 0.00 0.00 173.10 171.85 2kwb s LYS 33 N -3.96 1.60 -0.41 2.90 -0.14 -1.26 -4.12 119.74 114.35 2kwb s LYS 33 Ca 0.40 -1.06 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 2kwb s LYS 33 Cb -0.04 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.34 2kwb s LYS 33 CO 0.25 0.45 1.49 -3.38 -0.76 0.00 0.00 175.35 173.41 2kwb s HIS 34 N -0.83 2.27 0.20 3.18 -3.43 -1.26 -2.45 115.29 112.97 2kwb s HIS 34 Ca 0.10 0.65 0.02 0.00 -0.80 0.00 0.00 55.06 55.03 2kwb s HIS 34 Cb -0.10 -4.28 -0.05 0.00 -1.43 0.00 0.00 32.58 26.73 2kwb s HIS 34 CO 0.02 -2.18 0.03 0.14 -2.00 0.00 0.00 174.74 170.76 2kwb s VAL 35 N 5.80 0.65 0.07 -5.38 -7.23 0.34 -4.93 120.40 109.72 2kwb s VAL 35 Ca 0.65 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2kwb s VAL 35 Cb -0.15 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 2kwb s VAL 35 CO 0.32 -0.32 -0.13 0.68 -0.31 0.00 0.00 175.10 175.34 2kwb s VAL 36 N -3.68 1.05 -0.23 1.32 -7.23 -1.26 -1.74 120.40 108.62 2kwb s VAL 36 Ca 0.29 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2kwb s VAL 36 Cb 0.07 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.97 2kwb s VAL 36 CO 0.07 -0.28 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.33 2kwb s ARG 37 N -1.87 2.74 -0.01 4.82 1.81 -0.23 -4.52 118.95 121.69 2kwb s ARG 37 Ca -0.02 -1.02 0.07 0.00 -1.72 0.00 0.00 55.73 53.04 2kwb s ARG 37 Cb -0.09 -2.83 -0.03 0.00 -0.45 0.00 0.00 34.95 31.56 2kwb s ARG 37 CO 0.02 -0.38 -0.21 0.15 -0.68 0.00 0.00 175.30 174.20 2kwb s LYS 38 N 1.26 2.19 0.61 3.54 1.02 -0.68 -2.32 119.74 125.35 2kwb s LYS 38 Ca -0.01 -0.88 0.29 0.00 0.02 0.00 0.00 55.97 55.39 2kwb s LYS 38 Cb -0.16 -2.17 1.59 0.00 -0.52 0.00 0.00 37.83 36.57 2kwb s LYS 38 CO -0.07 0.57 1.97 1.05 -0.92 0.00 0.00 175.35 177.95 2kwb h GLU 39 N 5.18 0.00 0.00 1.68 4.11 -2.00 -1.66 114.58 121.89 2kwb h GLU 39 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kwb h GLU 39 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2kwb h GLU 39 CO 0.48 0.00 -0.09 0.41 0.07 0.00 0.00 179.01 179.87 2kwb n GLY 40 N -1.39 0.94 2.99 1.06 0.00 -1.26 -5.07 105.19 102.46 2kwb n GLY 40 Ca 0.03 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2kwb n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwb s GLU 41 N -0.83 0.15 -0.53 1.61 2.02 -0.63 -5.06 118.70 115.43 2kwb s GLU 41 Ca 0.06 0.32 0.04 0.00 0.02 0.00 0.00 54.97 55.40 2kwb s GLU 41 Cb 0.05 -0.04 0.40 0.00 0.10 0.00 0.00 34.13 34.64 2kwb s GLU 41 CO 0.01 -0.10 1.23 1.51 0.02 0.00 0.00 175.26 177.93 2kwb n ILE 42 N 3.62 2.75 -2.01 -1.63 0.13 -1.26 -1.69 119.36 119.26 2kwb n ILE 42 Ca -0.19 -4.98 -0.34 0.00 -1.10 0.00 0.00 62.75 56.14 2kwb n ILE 42 Cb 0.55 -1.29 -0.05 0.00 -0.84 0.00 0.00 39.64 38.02 2kwb n ILE 42 CO 0.00 0.00 0.00 0.55 2.80 0.00 0.00 176.55 179.90 2kwb n VAL 43 N -0.44 2.40 1.05 9.51 3.14 -1.26 -4.58 118.33 128.14 2kwb n VAL 43 Ca 0.40 -2.43 0.12 0.00 -2.96 0.00 0.00 64.34 59.48 2kwb n VAL 43 Cb 0.55 -2.25 0.13 0.00 -1.06 0.00 0.00 33.84 31.21 2kwb n VAL 43 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kwb n LEU 44 N 11.67 2.76 -4.62 6.55 -0.00 -1.26 -4.54 117.00 127.57 2kwb n LEU 44 Ca 0.47 -0.93 -0.43 0.00 -0.00 0.00 0.00 56.01 55.12 2kwb n LEU 44 Cb 0.45 -0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.85 2kwb n LEU 44 CO 0.77 0.46 1.05 0.00 -0.00 0.00 0.00 177.39 179.67 2kwb s ALA 45 N -2.05 3.29 0.00 1.47 0.00 -1.26 -4.90 121.76 118.30 2kwb s ALA 45 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2kwb s ALA 45 Cb 0.20 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2kwb s ALA 45 CO 0.33 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.56 2kwb n GLY 46 N 4.47 -1.98 3.94 0.00 0.00 -1.26 -5.17 105.19 105.20 2kwb n GLY 46 Ca 0.13 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 2kwb n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 47 N -2.46 4.78 -0.32 1.61 1.04 -1.26 -5.09 113.70 112.00 2kwb s SER 47 Ca 0.00 -1.12 -0.23 0.00 0.48 0.00 0.00 55.95 55.08 2kwb s SER 47 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2kwb s SER 47 CO 0.00 -1.17 0.76 0.20 0.98 0.00 0.00 173.24 174.01 2kwb s ASN 48 N -4.40 6.61 -0.17 7.02 0.01 -1.26 -5.04 114.94 117.71 2kwb s ASN 48 Ca 0.43 0.55 -0.27 0.00 -0.71 0.00 0.00 52.86 52.86 2kwb s ASN 48 Cb -0.03 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 2kwb s ASN 48 CO 0.27 -0.62 0.89 -2.16 -1.51 0.00 0.00 177.10 173.97 2kwb s PRO 49 N 2.92 4.31 -0.30 -0.60 0.04 -1.26 -5.03 135.00 135.08 2kwb s PRO 49 Ca 0.31 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 2kwb s PRO 49 Cb -0.14 -3.58 -0.00 0.00 0.04 0.00 0.00 34.50 30.82 2kwb s PRO 49 CO 0.13 -0.37 0.76 0.45 0.04 0.00 0.00 177.00 178.02 2kwb s SER 50 N 1.16 6.65 -0.35 6.66 0.15 -1.26 -4.86 113.70 121.84 2kwb s SER 50 Ca 0.41 0.66 0.07 0.00 0.70 0.00 0.00 55.95 57.78 2kwb s SER 50 Cb -0.17 -2.40 0.27 0.00 -1.71 0.00 0.00 66.02 62.02 2kwb s SER 50 CO 0.12 -0.58 1.25 0.00 1.20 0.00 0.00 173.24 175.23 2kwb n ALA 51 N 6.13 0.12 -0.06 5.45 0.00 -1.26 -5.05 120.51 125.85 2kwb n ALA 51 Ca 0.03 -0.95 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 2kwb n ALA 51 Cb 0.48 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 2kwb n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kwb h GLU 52 N 1.58 -0.37 -3.70 0.00 3.07 -2.05 -3.22 114.58 109.90 2kwb h GLU 52 Ca -0.38 0.03 -0.77 0.00 -0.50 0.00 0.00 59.36 57.74 2kwb h GLU 52 Cb 1.27 0.08 -0.29 0.00 -0.84 0.00 0.00 28.75 28.98 2kwb h GLU 52 CO -0.12 -0.25 0.04 -1.21 -1.40 0.00 0.00 179.01 176.08 2kwb s GLU 53 N -5.92 3.46 -0.69 2.33 2.02 -1.26 -5.00 118.70 113.65 2kwb s GLU 53 Ca -0.15 -2.65 -0.11 0.00 0.02 0.00 0.00 54.97 52.08 2kwb s GLU 53 Cb 0.11 -4.28 0.18 0.00 0.10 0.00 0.00 34.13 30.24 2kwb s GLU 53 CO 0.66 -1.26 0.59 0.20 0.02 0.00 0.00 175.26 175.47 2kwb s GLY 54 N 1.57 2.46 -0.25 -1.39 0.00 -1.22 -4.91 107.32 103.58 2kwb s GLY 54 Ca 0.20 -3.09 -0.16 0.00 0.00 0.00 0.00 44.72 41.66 2kwb s GLY 54 CO -0.08 1.19 -0.18 0.00 0.00 0.00 0.00 173.10 174.03 2kwb n ALA 55 N 4.14 1.05 -0.07 3.20 0.00 -1.26 -4.77 120.51 122.81 2kwb n ALA 55 Ca 0.06 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.46 2kwb n ALA 55 Cb 0.43 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 2kwb n ALA 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kwb h GLU 56 N -1.00 0.00 -7.22 0.00 5.08 -2.05 -3.47 114.58 105.92 2kwb h GLU 56 Ca -0.57 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.26 2kwb h GLU 56 Cb 1.49 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.91 2kwb h GLU 56 CO -0.34 0.92 0.33 0.34 -1.00 0.00 0.00 179.01 179.26 2kwb s ASP 57 N -6.24 3.76 -0.11 1.42 2.15 -1.26 -4.98 116.67 111.41 2kwb s ASP 57 Ca -0.19 2.27 0.15 0.00 0.43 0.00 0.00 52.55 55.22 2kwb s ASP 57 Cb -0.02 -2.58 0.35 0.00 -0.30 0.00 0.00 42.92 40.37 2kwb s ASP 57 CO 0.62 -2.55 1.17 -0.90 -0.17 0.00 0.00 175.17 173.35 2kwb n ASP 58 N -3.30 1.42 -4.50 -0.34 5.75 -1.26 -5.00 116.55 109.32 2kwb n ASP 58 Ca 0.13 -2.99 -0.12 0.00 -0.01 0.00 0.00 54.79 51.79 2kwb n ASP 58 Cb 0.51 -0.41 -0.10 0.00 -1.03 0.00 0.00 41.12 40.09 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kwb n GLY 59 N -0.58 -0.35 3.56 6.12 0.00 -1.26 -4.82 105.19 107.85 2kwb n GLY 59 Ca 0.12 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 2kwb n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kwb s SER 60 N 7.57 4.97 -0.16 1.61 0.15 -1.26 -4.61 113.70 121.97 2kwb s SER 60 Ca 0.76 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 57.20 2kwb s SER 60 Cb -0.10 -2.55 0.41 0.00 -1.71 0.00 0.00 66.02 62.07 2kwb s SER 60 CO 0.16 -2.85 1.20 -0.67 1.20 0.00 0.00 173.24 172.29 2kwb n ASP 61 N 14.49 1.60 0.11 5.45 2.03 -1.26 -4.89 116.55 134.08 2kwb n ASP 61 Ca 0.38 -3.49 -0.22 0.00 0.52 0.00 0.00 54.79 51.97 2kwb n ASP 61 Cb 0.48 -0.48 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2kwb n ASP 61 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kwb h GLU 62 N 0.92 0.43 -0.99 -0.67 4.11 -1.99 -3.34 114.58 113.04 2kwb h GLU 62 Ca -0.04 -0.73 -0.01 0.00 0.07 0.00 0.00 59.36 58.65 2kwb h GLU 62 Cb 1.16 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2kwb h GLU 62 CO 0.02 1.34 0.02 1.58 0.07 0.00 0.00 179.01 182.03 2kwb n HIS 63 N -3.62 0.10 -4.15 2.06 -0.00 -1.26 -4.79 115.22 103.56 2kwb n HIS 63 Ca -0.18 -0.35 -0.32 0.00 0.46 0.00 0.00 57.72 57.34 2kwb n HIS 63 Cb 1.08 -0.21 -0.08 0.00 -0.12 0.00 0.00 29.99 30.66 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2kwb s VAL 64 N -0.49 4.43 -1.11 3.57 1.01 -1.26 -5.01 120.40 121.54 2kwb s VAL 64 Ca 0.02 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 2kwb s VAL 64 Cb 0.02 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2kwb s VAL 64 CO 0.00 0.28 2.01 -0.62 0.00 0.00 0.00 175.10 176.78 2kwb n GLU 65 N 1.01 2.15 -3.00 2.72 1.02 -0.98 -4.92 120.64 118.64 2kwb n GLU 65 Ca -0.12 -2.32 -0.40 0.00 -0.02 0.00 0.00 57.16 54.30 2kwb n GLU 65 Cb 0.52 -3.19 -0.04 0.00 -0.02 0.00 0.00 31.44 28.71 2kwb n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2kwb s ARG 66 N 4.45 4.43 0.00 3.49 0.52 -1.26 -1.07 118.95 129.52 2kwb s ARG 66 Ca 0.55 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 2kwb s ARG 66 Cb 0.12 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 32.12 2kwb s ARG 66 CO 0.04 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.79 2kwb n GLY 67 N 3.13 -0.71 3.64 -3.53 0.00 -0.71 -5.03 105.19 101.99 2kwb n GLY 67 Ca -0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N -4.00 3.63 0.28 -0.61 -4.36 -1.26 -0.51 121.20 114.37 2kwb s ILE 68 Ca 0.00 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 58.90 2kwb s ILE 68 Cb 0.00 -2.81 0.41 0.00 1.25 0.00 0.00 42.46 41.32 2kwb s ILE 68 CO 0.00 -0.09 1.57 0.44 0.24 0.00 0.00 174.94 177.11 2kwb h ASP 69 N 2.82 -0.74 -0.25 4.36 3.32 -1.82 -1.55 116.42 122.57 2kwb h ASP 69 Ca -0.47 0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.92 2kwb h ASP 69 Cb 1.20 0.54 -0.08 0.00 0.22 0.00 0.00 39.33 41.22 2kwb h ASP 69 CO 0.57 -0.31 -0.36 0.40 -1.72 0.00 0.00 179.24 177.82 2kwb h ILE 70 N 0.01 0.22 0.12 0.35 2.04 -1.96 -0.35 117.51 117.94 2kwb h ILE 70 Ca 0.49 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 66.07 2kwb h ILE 70 Cb 0.83 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2kwb h ILE 70 CO -0.94 0.00 -1.26 -0.37 0.00 0.00 0.00 178.15 175.58 2kwb h VAL 71 N -0.36 1.47 -0.28 1.67 -1.51 -1.75 -3.23 116.25 112.25 2kwb h VAL 71 Ca 0.12 -3.05 -0.17 0.00 -1.23 0.00 0.00 66.70 62.37 2kwb h VAL 71 Cb 0.56 2.92 -0.00 0.00 -2.13 0.00 0.00 31.29 32.64 2kwb h VAL 71 CO -0.45 0.89 -0.48 -0.07 -1.23 0.00 0.00 177.57 176.23 2kwb h LEU 72 N 0.07 0.91 -1.06 4.19 3.38 -1.19 0.10 115.31 121.71 2kwb h LEU 72 Ca -0.14 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.25 2kwb h LEU 72 Cb 1.97 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 2kwb h LEU 72 CO 0.20 1.26 0.03 -1.13 0.09 0.00 0.00 178.44 178.88 2kwb h ASN 73 N 0.60 0.65 -0.35 -0.43 -1.24 -1.17 -2.86 115.58 110.78 2kwb h ASN 73 Ca 0.02 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2kwb h ASN 73 Cb 1.08 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.96 2kwb h ASN 73 CO 0.11 0.71 0.00 1.41 -1.29 0.00 0.00 177.43 178.37 2kwb n HIS 74 N -4.25 0.45 -2.98 0.67 8.25 -1.21 -5.01 115.22 111.13 2kwb n HIS 74 Ca 0.02 -0.24 -0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2kwb n HIS 74 Cb 0.26 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kwb n LYS 75 N 1.39 -1.29 -4.90 -0.41 4.76 -0.32 -4.93 118.16 112.46 2kwb n LYS 75 Ca 0.18 1.47 -0.33 0.00 -2.87 0.00 0.00 58.31 56.76 2kwb n LYS 75 Cb 0.58 -5.55 -0.14 0.00 -1.84 0.00 0.00 35.03 28.07 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kwb s LEU 76 N -3.85 2.62 -0.03 -0.35 1.43 0.20 -3.86 118.68 114.84 2kwb s LEU 76 Ca 0.01 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2kwb s LEU 76 Cb -0.00 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2kwb s LEU 76 CO 0.71 0.25 0.23 0.54 0.23 0.00 0.00 176.35 178.32 2kwb s VAL 77 N -0.19 5.35 -0.02 -1.59 0.11 -0.68 -4.78 120.40 118.59 2kwb s VAL 77 Ca -0.00 0.19 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 2kwb s VAL 77 Cb -0.13 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 2kwb s VAL 77 CO 0.03 0.44 0.60 -1.83 -3.33 0.00 0.00 175.10 171.01 2kwb s GLU 78 N -1.54 4.33 -0.07 1.54 -1.05 -1.26 -0.88 118.70 119.77 2kwb s GLU 78 Ca 0.24 0.72 0.02 0.00 -0.15 0.00 0.00 54.97 55.81 2kwb s GLU 78 Cb -0.13 -3.36 -0.02 0.00 -0.44 0.00 0.00 34.13 30.17 2kwb s GLU 78 CO 0.13 0.32 -0.13 -1.64 0.95 0.00 0.00 175.26 174.89 2kwb s MET 79 N -0.02 2.71 -0.02 -4.83 -1.94 0.22 -4.98 119.30 110.44 2kwb s MET 79 Ca 0.31 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.62 2kwb s MET 79 Cb -0.18 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 2kwb s MET 79 CO 0.17 0.55 0.06 -0.80 -0.01 0.00 0.00 175.02 174.99 2kwb s ASN 80 N -0.54 5.56 0.44 3.03 0.02 -1.26 -2.63 114.94 119.57 2kwb s ASN 80 Ca 0.07 0.13 0.14 0.00 -1.02 0.00 0.00 52.86 52.19 2kwb s ASN 80 Cb -0.12 -1.58 0.76 0.00 0.02 0.00 0.00 41.25 40.34 2kwb s ASN 80 CO 0.02 0.29 1.34 0.00 0.02 0.00 0.00 177.10 178.77 2kwb n TYR 82 N -2.26 0.59 -0.02 0.00 4.11 -1.26 -3.70 117.16 114.62 2kwb n TYR 82 Ca -0.01 0.17 -0.19 0.00 -0.00 0.00 0.00 57.90 57.87 2kwb n TYR 82 Cb 0.47 -0.76 -0.14 0.00 -0.00 0.00 0.00 39.34 38.91 2kwb n TYR 82 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2kwb h GLU 83 N 0.00 0.16 -0.39 -3.48 5.08 -1.27 -3.38 114.58 111.31 2kwb h GLU 83 Ca 0.00 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2kwb h GLU 83 Cb 0.97 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2kwb h GLU 83 CO 0.00 1.13 0.03 -0.40 -1.00 0.00 0.00 179.01 178.78 2kwb n ASP 84 N -4.24 4.13 -0.29 1.42 5.75 -1.24 -4.82 116.55 117.25 2kwb n ASP 84 Ca -0.18 -3.13 0.05 0.00 -0.01 0.00 0.00 54.79 51.51 2kwb n ASP 84 Cb 0.73 -0.61 0.11 0.00 -1.03 0.00 0.00 41.12 40.33 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kwb n ALA 85 N -0.38 0.19 0.12 2.12 0.00 -1.24 0.11 120.51 121.42 2kwb n ALA 85 Ca 0.27 0.89 -0.03 0.00 0.00 0.00 0.00 53.44 54.57 2kwb n ALA 85 Cb 1.03 -0.53 0.13 0.00 0.00 0.00 0.00 19.45 20.08 2kwb n ALA 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kwb h SER 86 N 0.00 0.05 0.60 0.00 0.87 -1.92 -2.56 113.55 110.59 2kwb h SER 86 Ca 0.39 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 2kwb h SER 86 Cb 0.59 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2kwb h SER 86 CO -0.84 0.69 -0.29 0.24 -0.53 0.00 0.00 176.83 176.11 2kwb h MET 87 N 0.03 -0.77 0.00 2.24 2.07 0.39 -2.17 114.93 116.71 2kwb h MET 87 Ca -0.01 0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.65 2kwb h MET 87 Cb 1.17 0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 31.07 2kwb h MET 87 CO 0.09 -0.52 -0.14 0.27 1.07 0.00 0.00 176.91 177.68 2kwb h PHE 88 N -1.18 0.00 -0.98 -0.22 -5.15 -1.40 0.47 116.94 108.49 2kwb h PHE 88 Ca -0.08 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.73 2kwb h PHE 88 Cb 0.62 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.73 2kwb h PHE 88 CO 0.01 0.14 0.63 -0.22 -2.00 0.00 0.00 178.31 176.87 2kwb h LYS 89 N 0.00 1.17 -0.34 6.09 1.63 -1.46 0.08 116.57 123.73 2kwb h LYS 89 Ca -0.00 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 2kwb h LYS 89 Cb 0.28 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2kwb h LYS 89 CO 0.02 0.77 -0.10 0.00 -3.45 0.00 0.00 179.45 176.69 2kwb h ALA 90 N 1.42 0.47 0.06 5.00 0.00 -0.27 -2.45 119.26 123.49 2kwb h ALA 90 Ca 0.40 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kwb h ALA 90 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2kwb h ALA 90 CO -0.14 0.34 -0.26 -0.92 0.00 0.00 0.00 179.25 178.26 2kwb h TYR 91 N 0.46 -0.71 -0.59 0.00 3.20 -0.73 -2.01 116.97 116.59 2kwb h TYR 91 Ca 0.08 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2kwb h TYR 91 Cb 0.61 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2kwb h TYR 91 CO 0.05 -0.36 0.39 0.82 -1.64 0.00 0.00 178.16 177.42 2kwb h ILE 92 N -0.44 1.05 0.93 1.81 1.08 -1.02 0.13 117.51 121.05 2kwb h ILE 92 Ca 0.05 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 2kwb h ILE 92 Cb 0.50 0.34 0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2kwb h ILE 92 CO -0.19 0.12 -0.45 0.50 -0.69 0.00 0.00 178.15 177.44 2kwb h LYS 93 N 0.65 -1.21 -0.60 2.37 1.63 -0.92 -0.09 116.57 118.40 2kwb h LYS 93 Ca 0.24 0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 60.05 2kwb h LYS 93 Cb 0.15 0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 2kwb h LYS 93 CO -0.07 -0.81 0.08 0.87 -3.45 0.00 0.00 179.45 176.08 2kwb h LYS 94 N -1.30 0.98 0.14 1.90 1.57 -1.21 -1.95 116.57 116.71 2kwb h LYS 94 Ca -0.13 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2kwb h LYS 94 Cb 0.96 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 2kwb h LYS 94 CO 0.21 0.92 -0.19 0.35 -0.57 0.00 0.00 179.45 180.17 2kwb h PHE 95 N 0.92 -0.49 -0.28 -1.35 3.57 -0.75 0.15 116.94 118.72 2kwb h PHE 95 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2kwb h PHE 95 Cb 0.42 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2kwb h PHE 95 CO 0.03 -0.28 0.15 1.98 -2.23 0.00 0.00 178.31 177.95 2kwb h MET 96 N -0.38 0.39 -0.48 1.11 4.05 -0.89 -1.39 114.93 117.33 2kwb h MET 96 Ca 0.01 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 2kwb h MET 96 Cb 0.38 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2kwb h MET 96 CO -0.08 0.35 0.11 0.87 0.23 0.00 0.00 176.91 178.40 2kwb h LYS 97 N 0.32 0.72 0.18 0.39 1.57 -1.29 -2.76 116.57 115.71 2kwb h LYS 97 Ca 0.10 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2kwb h LYS 97 Cb 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2kwb h LYS 97 CO -0.01 0.66 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.47 2kwb h ASN 98 N 0.70 -0.20 -0.95 0.86 -1.24 -0.36 0.74 115.58 115.13 2kwb h ASN 98 Ca 0.16 -0.26 0.04 0.00 0.71 0.00 0.00 56.30 56.94 2kwb h ASN 98 Cb 0.27 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.31 2kwb h ASN 98 CO -0.00 0.18 0.62 -0.37 -1.29 0.00 0.00 177.43 176.57 2kwb h VAL 99 N -0.62 1.16 0.08 2.57 -1.51 -1.25 -1.01 116.25 115.68 2kwb h VAL 99 Ca -0.02 -0.41 -0.26 0.00 -1.23 0.00 0.00 66.70 64.77 2kwb h VAL 99 Cb 0.46 -0.14 0.01 0.00 -2.13 0.00 0.00 31.29 29.49 2kwb h VAL 99 CO 0.04 0.22 -1.14 0.40 -1.23 0.00 0.00 177.57 175.86 2kwb h ILE 100 N 1.19 1.41 -0.87 7.19 1.08 -1.52 -1.76 117.51 124.23 2kwb h ILE 100 Ca 0.38 -2.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.15 2kwb h ILE 100 Cb 0.01 2.69 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 2kwb h ILE 100 CO -0.12 0.80 0.51 -0.78 -0.69 0.00 0.00 178.15 177.88 2kwb h ASP 101 N 0.18 1.05 0.00 1.72 1.82 -0.42 -1.52 116.42 119.25 2kwb h ASP 101 Ca -0.13 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2kwb h ASP 101 Cb 1.81 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.56 2kwb h ASP 101 CO 0.20 0.81 0.00 1.57 -1.61 0.00 0.00 179.24 180.21 2kwb n HIS 102 N -4.36 0.00 -0.19 0.28 -0.00 -0.42 -3.59 115.22 106.94 2kwb n HIS 102 Ca 0.09 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.20 2kwb n HIS 102 Cb 0.07 -0.49 0.02 0.00 -0.12 0.00 0.00 29.99 29.47 2kwb n HIS 102 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2kwb h MET 103 N 0.00 0.81 0.00 1.57 1.85 -1.36 -1.37 114.93 116.43 2kwb h MET 103 Ca 0.00 -0.14 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 2kwb h MET 103 Cb 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 31.89 2kwb h MET 103 CO 0.00 0.70 0.00 -1.91 -0.40 0.00 0.00 176.91 175.30 2kwb n GLU 104 N -4.53 0.04 -0.02 0.39 2.13 -0.57 -0.74 120.64 117.34 2kwb n GLU 104 Ca 0.03 0.24 -0.21 0.00 0.66 0.00 0.00 57.16 57.87 2kwb n GLU 104 Cb 0.15 -1.57 -0.13 0.00 0.27 0.00 0.00 31.44 30.15 2kwb n GLU 104 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2kwb h LYS 105 N 0.00 0.17 0.03 5.31 3.64 -1.32 -2.40 116.57 122.01 2kwb h LYS 105 Ca 0.00 -0.29 -0.23 0.00 -1.27 0.00 0.00 60.65 58.86 2kwb h LYS 105 Cb 0.33 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2kwb h LYS 105 CO 0.00 1.14 -1.10 -2.95 -2.27 0.00 0.00 179.45 174.27 2kwb h ASN 106 N -0.47 0.11 0.00 4.20 -1.07 -1.36 -3.39 115.58 113.60 2kwb h ASN 106 Ca -0.31 -0.12 -0.33 0.00 0.07 0.00 0.00 56.30 55.61 2kwb h ASN 106 Cb 1.64 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 37.80 2kwb h ASN 106 CO -0.01 1.10 -1.88 -3.20 0.07 0.00 0.00 177.43 173.51 2kwb n ASN 107 N -3.39 1.92 0.00 6.14 5.15 0.08 -4.98 115.26 120.18 2kwb n ASN 107 Ca -0.03 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 2kwb n ASN 107 Cb 0.97 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 2kwb n ASN 107 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kwb n ARG 108 N -4.35 0.00 -1.83 1.20 1.74 -0.90 -4.94 116.66 107.58 2kwb n ARG 108 Ca -0.41 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.24 2kwb n ARG 108 Cb 0.76 -0.36 -0.03 0.00 -1.02 0.00 0.00 32.46 31.81 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kwb s ASP 109 N 0.00 6.54 0.21 0.55 2.15 -1.26 -4.89 116.67 119.97 2kwb s ASP 109 Ca 0.00 2.51 -0.15 0.00 0.43 0.00 0.00 52.55 55.34 2kwb s ASP 109 Cb 0.00 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.30 2kwb s ASP 109 CO 0.00 -0.98 1.61 0.07 -0.17 0.00 0.00 175.17 175.70 2kwb h LYS 110 N 9.69 -0.05 -0.13 4.34 -0.00 -1.98 0.29 116.57 128.74 2kwb h LYS 110 Ca -0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.08 2kwb h LYS 110 Cb 1.21 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.44 2kwb h LYS 110 CO 0.94 -0.03 -0.49 0.00 -0.00 0.00 0.00 179.45 179.88 2kwb h ALA 111 N 1.48 0.94 0.00 0.07 0.00 -1.99 0.11 119.26 119.87 2kwb h ALA 111 Ca 0.30 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kwb h ALA 111 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kwb h ALA 111 CO -0.69 0.65 -0.04 0.22 0.00 0.00 0.00 179.25 179.40 2kwb h ASP 112 N 0.26 0.03 0.57 0.00 1.82 -1.80 -3.16 116.42 114.14 2kwb h ASP 112 Ca 0.01 -0.88 -0.02 0.00 -0.39 0.00 0.00 57.03 55.76 2kwb h ASP 112 Cb 0.95 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.95 2kwb h ASP 112 CO 0.08 0.90 -0.08 -0.37 -1.61 0.00 0.00 179.24 178.16 2kwb h VAL 113 N -0.84 0.32 -0.11 2.25 -1.51 -0.99 -2.58 116.25 112.79 2kwb h VAL 113 Ca -0.01 -0.53 0.02 0.00 -1.23 0.00 0.00 66.70 64.96 2kwb h VAL 113 Cb 0.91 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 2kwb h VAL 113 CO 0.01 0.08 -0.03 -0.78 -1.23 0.00 0.00 177.57 175.62 2kwb h ASP 114 N 0.00 -0.12 -0.61 4.19 3.58 -0.79 0.16 116.42 122.83 2kwb h ASP 114 Ca -0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kwb h ASP 114 Cb 0.39 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 2kwb h ASP 114 CO 0.01 -0.05 0.38 0.00 -2.88 0.00 0.00 179.24 176.71 2kwb h ALA 115 N 1.10 0.77 0.64 -0.78 0.00 -1.43 0.18 119.26 119.74 2kwb h ALA 115 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kwb h ALA 115 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kwb h ALA 115 CO -0.12 0.23 -0.42 0.35 0.00 0.00 0.00 179.25 179.29 2kwb h PHE 116 N 0.82 -1.12 -0.06 0.00 3.57 -1.20 -1.14 116.94 117.81 2kwb h PHE 116 Ca 0.22 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2kwb h PHE 116 Cb -0.06 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2kwb h PHE 116 CO -0.03 -0.62 -0.24 1.57 -2.23 0.00 0.00 178.31 176.76 2kwb h LYS 117 N -1.01 0.11 -0.46 1.11 2.10 -0.64 -0.75 116.57 117.03 2kwb h LYS 117 Ca -0.08 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.56 2kwb h LYS 117 Cb 0.82 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.11 2kwb h LYS 117 CO 0.06 0.35 0.27 -0.22 -2.00 0.00 0.00 179.45 177.91 2kwb h LYS 118 N 0.10 0.53 0.47 0.07 3.64 -0.47 0.53 116.57 121.45 2kwb h LYS 118 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2kwb h LYS 118 Cb 0.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2kwb h LYS 118 CO 0.03 0.35 -0.23 0.87 -2.27 0.00 0.00 179.45 178.21 2kwb h LYS 119 N 0.55 -0.61 -0.58 1.90 1.79 -0.57 -0.25 116.57 118.80 2kwb h LYS 119 Ca 0.19 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.60 2kwb h LYS 119 Cb 0.02 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2kwb h LYS 119 CO -0.09 -0.31 -0.03 0.97 -1.08 0.00 0.00 179.45 178.91 2kwb h ILE 120 N -1.01 1.26 -0.09 1.86 6.09 -1.17 0.18 117.51 124.64 2kwb h ILE 120 Ca -0.06 -1.18 -0.15 0.00 -1.37 0.00 0.00 64.86 62.10 2kwb h ILE 120 Cb 0.58 0.85 0.01 0.00 0.47 0.00 0.00 36.82 38.73 2kwb h ILE 120 CO 0.11 0.42 -0.52 -0.61 -3.07 0.00 0.00 178.15 174.48 2kwb h GLN 121 N 0.94 0.52 -0.67 2.19 4.15 -1.02 -2.75 115.11 118.47 2kwb h GLN 121 Ca 0.16 -0.43 0.11 0.00 0.77 0.00 0.00 58.65 59.25 2kwb h GLN 121 Cb 0.59 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 2kwb h GLN 121 CO 0.04 1.06 0.44 0.78 -1.93 0.00 0.00 178.83 179.22 2kwb h GLY 122 N 0.11 0.70 0.87 2.39 0.00 -0.85 -0.37 103.07 105.92 2kwb h GLY 122 Ca -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2kwb h GLY 122 CO 0.11 0.11 -0.32 -0.25 0.00 0.00 0.00 176.54 176.19 2kwb h TRP 123 N 0.48 -0.84 -0.10 5.60 7.01 -0.55 -2.38 115.95 125.17 2kwb h TRP 123 Ca 0.31 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 2kwb h TRP 123 Cb 0.57 0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.90 2kwb h TRP 123 CO -0.00 -0.49 0.05 -0.39 -2.79 0.00 0.00 178.44 174.82 2kwb h VAL 124 N -1.05 1.11 0.00 2.65 -1.51 -1.17 0.24 116.25 116.52 2kwb h VAL 124 Ca -0.09 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 2kwb h VAL 124 Cb 0.73 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2kwb h VAL 124 CO 0.15 0.09 -0.09 -0.37 -1.23 0.00 0.00 177.57 176.12 2kwb h VAL 125 N 0.04 0.97 0.08 7.19 -1.51 -1.17 0.14 116.25 121.99 2kwb h VAL 125 Ca 0.03 -0.32 -0.29 0.00 -1.23 0.00 0.00 66.70 64.89 2kwb h VAL 125 Cb 0.11 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 2kwb h VAL 125 CO -0.00 0.09 -1.49 -1.28 -1.23 0.00 0.00 177.57 173.66 2kwb h SER 126 N 0.00 0.25 0.28 4.19 0.87 -1.21 -3.34 113.55 114.59 2kwb h SER 126 Ca -0.00 -0.36 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2kwb h SER 126 Cb 0.17 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2kwb h SER 126 CO 0.01 1.30 -0.50 0.25 -0.53 0.00 0.00 176.83 177.37 2kwb h LEU 127 N 0.04 0.28 -0.03 2.23 5.85 0.33 -2.77 115.31 121.24 2kwb h LEU 127 Ca -0.22 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2kwb h LEU 127 Cb 1.97 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.92 2kwb h LEU 127 CO 0.14 0.73 0.00 0.18 -0.34 0.00 0.00 178.44 179.15 2kwb n LEU 128 N -3.95 0.05 -4.58 2.25 4.77 0.41 -4.63 117.00 111.32 2kwb n LEU 128 Ca -0.02 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 2kwb n LEU 128 Cb 0.54 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2kwb n LEU 128 CO 0.43 0.01 1.44 0.00 -1.33 0.00 0.00 177.39 177.94 2kwb s ALA 129 N -2.00 1.67 -1.36 -1.18 0.00 -1.05 -4.77 121.76 113.08 2kwb s ALA 129 Ca 0.37 -1.96 0.08 0.00 0.00 0.00 0.00 51.96 50.44 2kwb s ALA 129 Cb 0.17 -4.65 0.37 0.00 0.00 0.00 0.00 23.12 19.01 2kwb s ALA 129 CO 0.28 -5.26 1.12 1.17 0.00 0.00 0.00 175.76 173.07 2kwb n LYS 130 N 8.40 0.09 -0.08 0.00 4.81 -1.26 -1.87 118.16 128.24 2kwb n LYS 130 Ca 0.44 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 58.03 2kwb n LYS 130 Cb 0.47 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.00 2kwb n LYS 130 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kwb h ASP 131 N 0.00 0.30 0.00 3.14 3.58 -1.97 -2.60 116.42 118.87 2kwb h ASP 131 Ca 0.00 -0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 2kwb h ASP 131 Cb 0.08 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 2kwb h ASP 131 CO 0.00 0.22 -1.80 0.54 -2.88 0.00 0.00 179.24 175.32 2kwb n ARG 132 N -4.91 1.19 0.00 0.28 3.00 -1.17 -4.63 116.66 110.42 2kwb n ARG 132 Ca -0.01 0.04 0.07 0.00 -0.01 0.00 0.00 57.85 57.94 2kwb n ARG 132 Cb 0.04 -1.29 0.35 0.00 0.00 0.00 0.00 32.46 31.57 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwb n PHE 133 N -2.69 0.00 0.09 -1.55 3.01 -0.78 -2.82 117.46 112.72 2kwb n PHE 133 Ca -0.22 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.44 2kwb n PHE 133 Cb 0.81 -0.33 0.74 0.00 -0.01 0.00 0.00 39.48 40.69 2kwb n PHE 133 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2kwb h LYS 134 N 0.00 0.00 -0.29 -1.08 2.10 -1.66 -1.24 116.57 114.40 2kwb h LYS 134 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kwb h LYS 134 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2kwb h LYS 134 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2kwb n ASN 135 N -3.71 0.90 -4.91 7.07 3.02 -1.13 -4.87 115.26 111.65 2kwb n ASN 135 Ca 0.07 -2.03 -0.28 0.00 -0.03 0.00 0.00 54.58 52.31 2kwb n ASN 135 Cb 0.63 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kwb s LEU 136 N -0.89 3.91 -0.05 3.41 1.43 -0.47 -4.85 118.68 121.17 2kwb s LEU 136 Ca 0.09 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2kwb s LEU 136 Cb 0.05 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2kwb s LEU 136 CO 0.05 -0.34 -0.01 0.00 0.23 0.00 0.00 176.35 176.28 2kwb s ALA 137 N -2.33 0.52 -0.14 4.21 0.00 -1.09 -4.81 121.76 118.12 2kwb s ALA 137 Ca 0.45 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.45 2kwb s ALA 137 Cb -0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 2kwb s ALA 137 CO 0.35 -0.20 -0.17 -0.59 0.00 0.00 0.00 175.76 175.15 2kwb s PHE 138 N 1.34 2.74 0.06 0.00 -0.71 -1.08 -0.39 117.98 119.95 2kwb s PHE 138 Ca -0.05 -1.01 -0.04 0.00 -1.04 0.00 0.00 56.93 54.79 2kwb s PHE 138 Cb -0.13 -1.85 -0.05 0.00 -1.21 0.00 0.00 43.02 39.78 2kwb s PHE 138 CO -0.02 -0.44 0.27 -0.06 -1.34 0.00 0.00 175.22 173.63 2kwb s PHE 139 N 0.67 3.53 0.04 3.49 0.40 0.82 -0.61 117.98 126.32 2kwb s PHE 139 Ca -0.08 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.71 2kwb s PHE 139 Cb -0.16 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2kwb s PHE 139 CO 0.02 0.55 -0.08 -1.50 0.70 0.00 0.00 175.22 174.92 2kwb s ILE 140 N -1.48 0.54 0.37 0.64 2.07 -0.06 -0.82 121.20 122.46 2kwb s ILE 140 Ca 0.34 -1.11 -0.28 0.00 -1.41 0.00 0.00 60.65 58.19 2kwb s ILE 140 Cb -0.13 -0.64 -0.11 0.00 0.13 0.00 0.00 42.46 41.72 2kwb s ILE 140 CO 0.23 -0.40 1.44 -0.83 -1.91 0.00 0.00 174.94 173.47 2kwb s GLY 141 N -1.63 2.95 0.16 1.50 0.00 -1.26 -1.69 107.32 107.35 2kwb s GLY 141 Ca -0.09 1.49 -0.22 0.00 0.00 0.00 0.00 44.72 45.90 2kwb s GLY 141 CO 0.00 2.16 1.63 0.83 0.00 0.00 0.00 173.10 177.72 2kwb h GLU 142 N 3.03 -0.21 -0.61 2.90 5.08 -1.92 -0.37 114.58 122.48 2kwb h GLU 142 Ca -0.50 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.03 2kwb h GLU 142 Cb 1.24 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2kwb h GLU 142 CO 0.64 -0.14 0.43 0.07 -1.00 0.00 0.00 179.01 179.01 2kwb h ARG 143 N -0.21 0.07 0.07 2.33 0.11 -1.92 0.05 114.38 114.87 2kwb h ARG 143 Ca 0.16 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.23 2kwb h ARG 143 Cb 0.46 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2kwb h ARG 143 CO -0.43 0.04 -0.03 0.00 0.10 0.00 0.00 179.97 179.65 2kwb h ALA 144 N 1.70 -0.10 0.00 0.08 0.00 -1.46 -3.30 119.26 116.19 2kwb h ALA 144 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kwb h ALA 144 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kwb h ALA 144 CO -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.09 2kwb h ALA 145 N -0.64 1.37 -0.49 0.00 0.00 -1.16 0.16 119.26 118.51 2kwb h ALA 145 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2kwb h ALA 145 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2kwb h ALA 145 CO 0.02 0.04 0.37 1.49 0.00 0.00 0.00 179.25 181.16 2kwb h GLU 146 N 0.00 0.00 0.00 0.00 4.81 -1.06 -3.44 114.58 114.89 2kwb h GLU 146 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kwb h GLU 146 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kwb h GLU 146 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 2kwb n GLY 147 N -1.61 0.27 0.13 1.92 0.00 -0.94 -5.02 105.19 99.94 2kwb n GLY 147 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb h ALA 148 N 0.00 -0.02 0.00 4.61 0.00 -1.44 -3.45 119.26 118.95 2kwb h ALA 148 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kwb h ALA 148 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kwb h ALA 148 CO 0.00 -0.55 0.00 -0.85 0.00 0.00 0.00 179.25 177.85 2kwb n GLU 149 N -5.22 0.00 -1.93 0.00 0.28 0.44 -4.75 120.64 109.47 2kwb n GLU 149 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.56 2kwb n GLU 149 Cb 0.14 -2.91 -0.01 0.00 1.43 0.00 0.00 31.44 30.10 2kwb n GLU 149 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kwb n ASN 150 N 0.00 7.92 -4.32 -1.84 2.85 -1.26 -4.90 115.26 113.71 2kwb n ASN 150 Ca 0.00 -3.07 -0.22 0.00 -0.11 0.00 0.00 54.58 51.18 2kwb n ASN 150 Cb 0.00 -1.40 -0.10 0.00 1.24 0.00 0.00 39.78 39.53 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kwb s GLY 151 N 0.65 2.20 0.33 8.20 0.00 -1.26 -4.70 107.32 112.74 2kwb s GLY 151 Ca 0.55 -1.74 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 2kwb s GLY 151 CO -0.08 -1.78 0.97 1.62 0.00 0.00 0.00 173.10 173.82 2kwb s GLN 152 N -3.85 4.54 -0.07 2.90 0.74 -1.26 -5.03 119.66 117.62 2kwb s GLN 152 Ca 0.32 1.38 0.02 0.00 0.05 0.00 0.00 55.36 57.14 2kwb s GLN 152 Cb 0.06 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.35 2kwb s GLN 152 CO 0.15 0.22 -0.14 0.08 -0.55 0.00 0.00 175.29 175.05 2kwb s VAL 153 N -1.59 3.08 -0.26 1.34 1.01 -1.26 -4.53 120.40 118.19 2kwb s VAL 153 Ca 0.51 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 2kwb s VAL 153 Cb -0.20 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2kwb s VAL 153 CO 0.25 0.57 0.10 0.00 0.00 0.00 0.00 175.10 176.02 2kwb s ALA 154 N -0.43 3.24 0.02 5.51 0.00 -0.00 -4.95 121.76 125.15 2kwb s ALA 154 Ca 0.05 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2kwb s ALA 154 Cb -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.77 2kwb s ALA 154 CO 0.02 -0.52 0.50 0.42 0.00 0.00 0.00 175.76 176.18 2kwb s ILE 155 N 1.64 4.91 -0.20 0.00 1.01 -1.06 -0.12 121.20 127.38 2kwb s ILE 155 Ca 0.06 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 2kwb s ILE 155 Cb -0.15 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2kwb s ILE 155 CO 0.05 0.53 -0.11 -0.63 0.00 0.00 0.00 174.94 174.78 2kwb s ILE 156 N -0.85 2.80 0.22 2.92 -1.09 0.48 -0.01 121.20 125.67 2kwb s ILE 156 Ca 0.27 -0.69 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 2kwb s ILE 156 Cb -0.18 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 2kwb s ILE 156 CO 0.16 0.47 0.03 -0.70 -1.23 0.00 0.00 174.94 173.67 2kwb s GLU 157 N 1.38 2.44 -0.30 2.79 2.12 0.18 -2.68 118.70 124.63 2kwb s GLU 157 Ca 0.05 -1.23 -0.08 0.00 0.36 0.00 0.00 54.97 54.08 2kwb s GLU 157 Cb -0.14 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.95 2kwb s GLU 157 CO -0.07 0.41 0.11 1.52 -0.54 0.00 0.00 175.26 176.68 2kwb s TYR 158 N -2.04 3.16 -0.04 5.30 1.13 -1.26 -0.58 117.35 123.02 2kwb s TYR 158 Ca 0.30 -0.83 0.05 0.00 -1.41 0.00 0.00 57.07 55.18 2kwb s TYR 158 Cb -0.08 -2.29 -0.02 0.00 -1.10 0.00 0.00 41.96 38.47 2kwb s TYR 158 CO 0.20 -0.53 -0.18 1.03 -2.51 0.00 0.00 175.55 173.56 2kwb s ARG 159 N 1.54 2.39 -0.40 -3.49 1.81 -0.64 -4.98 118.95 115.19 2kwb s ARG 159 Ca 0.03 -0.76 -0.13 0.00 -1.72 0.00 0.00 55.73 53.15 2kwb s ARG 159 Cb -0.17 -2.28 0.03 0.00 -0.45 0.00 0.00 34.95 32.08 2kwb s ARG 159 CO 0.04 0.61 0.26 0.34 -0.68 0.00 0.00 175.30 175.86 2kwb s ASP 160 N -0.71 5.91 -0.93 0.23 -1.08 -1.26 -0.57 116.67 118.27 2kwb s ASP 160 Ca 0.11 -1.01 -0.18 0.00 -0.52 0.00 0.00 52.55 50.94 2kwb s ASP 160 Cb -0.10 -2.09 0.14 0.00 -1.46 0.00 0.00 42.92 39.41 2kwb s ASP 160 CO 0.00 -0.44 1.10 -0.69 0.52 0.00 0.00 175.17 175.66 2kwb s VAL 161 N 1.60 4.81 -1.47 1.11 1.01 0.80 -4.50 120.40 123.76 2kwb s VAL 161 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2kwb s VAL 161 Cb -0.20 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.43 2kwb s VAL 161 CO 0.08 -1.47 0.00 -0.67 0.00 0.00 0.00 175.10 173.04 2kwb n ASP 162 N 6.32 -4.66 0.00 3.32 2.03 -1.26 -1.94 116.55 120.35 2kwb n ASP 162 Ca 0.23 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kwb n ASP 162 Cb 0.49 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 163 N -0.74 1.05 3.16 0.27 0.00 -1.26 -5.11 105.19 102.57 2kwb n GLY 163 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -2.00 2.29 -0.20 2.61 2.01 -0.82 -5.10 115.64 114.43 2kwb s THR 164 Ca 0.00 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 60.85 2kwb s THR 164 Cb 0.00 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2kwb s THR 164 CO 0.00 0.52 0.98 -1.83 -0.69 0.00 0.00 174.62 173.60 2kwb s GLU 165 N 1.21 4.28 -0.02 4.92 1.03 -1.26 -0.14 118.70 128.72 2kwb s GLU 165 Ca 0.03 1.26 0.04 0.00 0.03 0.00 0.00 54.97 56.33 2kwb s GLU 165 Cb -0.14 -3.61 -0.01 0.00 -0.80 0.00 0.00 34.13 29.57 2kwb s GLU 165 CO -0.09 -0.52 -0.14 0.14 -1.33 0.00 0.00 175.26 173.32 2kwb s VAL 166 N 2.80 1.14 -0.27 1.83 -7.23 0.27 -4.99 120.40 113.94 2kwb s VAL 166 Ca 0.43 -0.59 -0.28 0.00 -1.81 0.00 0.00 61.98 59.73 2kwb s VAL 166 Cb -0.16 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.82 2kwb s VAL 166 CO 0.09 0.33 1.01 -2.84 -0.31 0.00 0.00 175.10 173.39 2kwb s PRO 167 N -0.11 4.16 0.01 4.82 0.02 -1.26 -1.62 135.00 141.02 2kwb s PRO 167 Ca 0.01 1.15 -0.00 0.00 0.02 0.00 0.00 61.00 62.18 2kwb s PRO 167 Cb -0.08 -3.68 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 2kwb s PRO 167 CO 0.00 -0.73 0.09 0.95 -0.33 0.00 0.00 177.00 176.99 2kwb s THR 168 N 3.32 4.79 -0.06 0.99 -4.23 0.25 -1.54 115.64 119.17 2kwb s THR 168 Ca 0.43 -0.43 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 2kwb s THR 168 Cb -0.14 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 2kwb s THR 168 CO 0.10 0.31 0.32 -0.22 -0.54 0.00 0.00 174.62 174.60 2kwb s LEU 169 N -1.86 4.41 -0.13 4.79 2.96 0.10 -0.65 118.68 128.31 2kwb s LEU 169 Ca 0.24 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 2kwb s LEU 169 Cb -0.12 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.16 2kwb s LEU 169 CO 0.16 0.30 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.27 2kwb s MET 170 N -0.73 2.53 -0.02 1.98 -1.94 0.99 -2.25 119.30 119.85 2kwb s MET 170 Ca 0.20 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 2kwb s MET 170 Cb -0.15 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.59 2kwb s MET 170 CO 0.09 -0.08 0.02 -0.51 -0.01 0.00 0.00 175.02 174.54 2kwb s LEU 171 N 1.01 1.12 -0.17 -0.03 1.43 -1.02 -2.55 118.68 118.48 2kwb s LEU 171 Ca -0.05 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 2kwb s LEU 171 Cb -0.15 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 2kwb s LEU 171 CO -0.03 -0.12 1.10 -0.69 0.23 0.00 0.00 176.35 176.83 2kwb s VAL 172 N 1.03 4.57 0.10 -1.59 1.01 -1.26 -0.11 120.40 124.16 2kwb s VAL 172 Ca -0.09 1.88 -0.07 0.00 0.00 0.00 0.00 61.98 63.70 2kwb s VAL 172 Cb -0.13 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.81 2kwb s VAL 172 CO -0.03 -0.11 1.23 0.50 0.00 0.00 0.00 175.10 176.70 2kwb h LYS 173 N 7.52 0.45 0.00 2.72 3.64 -1.40 -3.31 116.57 126.19 2kwb h LYS 173 Ca -0.25 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 2kwb h LYS 173 Cb 1.10 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kwb h LYS 173 CO 0.94 1.20 0.00 0.39 -2.27 0.00 0.00 179.45 179.70 2kwb n GLU 174 N -3.73 0.70 -0.08 1.90 -0.58 -1.25 -2.65 120.64 114.95 2kwb n GLU 174 Ca -0.09 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 2kwb n GLU 174 Cb 0.90 -1.18 -0.07 0.00 -0.57 0.00 0.00 31.44 30.52 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kwb n ALA 175 N -0.68 1.71 -1.99 0.62 0.00 -1.24 -4.71 120.51 114.21 2kwb n ALA 175 Ca 0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 53.44 52.61 2kwb n ALA 175 Cb 0.03 0.16 0.03 0.00 0.00 0.00 0.00 19.45 19.67 2kwb n ALA 175 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kwb s ILE 176 N -2.33 2.79 -0.21 0.00 -4.36 -1.08 -4.74 121.20 111.26 2kwb s ILE 176 Ca -0.23 -0.80 -0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2kwb s ILE 176 Cb 0.07 -2.98 0.05 0.00 1.25 0.00 0.00 42.46 40.85 2kwb s ILE 176 CO 0.36 0.00 -0.04 -0.51 0.24 0.00 0.00 174.94 174.99 2kwb s ILE 177 N -2.60 1.24 0.38 8.37 1.10 -1.07 -4.92 121.20 123.70 2kwb s ILE 177 Ca 0.57 -0.93 -0.12 0.00 -0.51 0.00 0.00 60.65 59.65 2kwb s ILE 177 Cb -0.10 -1.52 -0.07 0.00 0.15 0.00 0.00 42.46 40.92 2kwb s ILE 177 CO 0.36 -0.05 0.75 -1.61 -2.11 0.00 0.00 174.94 172.29 2kwb s GLU 178 N 1.54 3.85 -0.01 3.50 0.41 -1.26 -2.16 118.70 124.56 2kwb s GLU 178 Ca -0.03 0.52 -0.00 0.00 -0.41 0.00 0.00 54.97 55.05 2kwb s GLU 178 Cb -0.17 -2.41 0.01 0.00 -1.78 0.00 0.00 34.13 29.78 2kwb s GLU 178 CO -0.07 0.03 0.02 -2.00 -0.49 0.00 0.00 175.26 172.75 2kwb s GLU 179 N -3.56 -0.00 -0.23 1.61 2.56 0.10 -4.99 118.70 114.19 2kwb s GLU 179 Ca 0.52 0.08 -0.21 0.00 0.00 0.00 0.00 54.97 55.37 2kwb s GLU 179 Cb -0.10 -0.08 -0.02 0.00 2.00 0.00 0.00 34.13 35.92 2kwb s GLU 179 CO 0.27 -0.06 0.64 0.15 -0.56 0.00 0.00 175.26 175.70 2kwb s LYS 180 N 0.39 4.15 -0.45 4.30 1.02 -1.26 -1.54 119.74 126.35 2kwb s LYS 180 Ca -0.03 0.59 0.03 0.00 0.02 0.00 0.00 55.97 56.58 2kwb s LYS 180 Cb -0.05 -3.62 0.15 0.00 -0.52 0.00 0.00 37.83 33.79 2kwb s LYS 180 CO -0.01 -0.36 0.29 0.00 -0.92 0.00 0.00 175.35 174.35 2kwb s LEU 182 N 0.18 -0.00 0.00 0.00 2.34 -1.25 -0.21 118.68 119.73 2kwb s LEU 182 Ca 0.22 -0.24 0.11 0.00 0.06 0.00 0.00 54.13 54.27 2kwb s LEU 182 Cb -0.15 1.41 0.63 0.00 -0.56 0.00 0.00 46.19 47.51 2kwb s LEU 182 CO -0.06 -0.37 1.07 1.21 -1.06 0.00 0.00 176.35 177.14