#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 4.42 -0.27 4.03 2.96 0.66 -4.69 118.68 125.80 2kwb s LEU 2 Ca 0.00 2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 56.02 2kwb s LEU 2 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 2kwb s LEU 2 CO 0.00 -0.45 0.31 -0.63 -1.32 0.00 0.00 176.35 174.26 2kwb s ILE 3 N 0.28 5.23 -0.30 6.68 1.01 -0.52 -2.14 121.20 131.44 2kwb s ILE 3 Ca 0.56 0.43 -0.08 0.00 0.00 0.00 0.00 60.65 61.56 2kwb s ILE 3 Cb -0.33 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2kwb s ILE 3 CO 0.35 0.20 0.11 -0.31 0.00 0.00 0.00 174.94 175.29 2kwb s TYR 4 N 1.89 3.16 -0.29 3.97 2.02 -0.54 -2.02 117.35 125.54 2kwb s TYR 4 Ca 0.12 -0.81 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 2kwb s TYR 4 Cb -0.16 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.14 2kwb s TYR 4 CO 0.10 -0.53 0.02 0.15 -1.57 0.00 0.00 175.55 173.72 2kwb s LYS 5 N 1.55 2.70 0.59 -0.62 1.02 -1.07 -2.65 119.74 121.26 2kwb s LYS 5 Ca 0.03 -1.10 -0.15 0.00 0.02 0.00 0.00 55.97 54.77 2kwb s LYS 5 Cb -0.17 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2kwb s LYS 5 CO 0.04 -0.54 1.05 -0.51 -0.92 0.00 0.00 175.35 174.47 2kwb s ASP 6 N 1.35 5.81 0.15 2.83 1.11 -1.26 -0.78 116.67 125.87 2kwb s ASP 6 Ca -0.02 1.79 -0.13 0.00 0.18 0.00 0.00 52.55 54.37 2kwb s ASP 6 Cb -0.18 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.30 2kwb s ASP 6 CO -0.00 -1.15 1.63 0.40 1.18 0.00 0.00 175.17 177.22 2kwb h ILE 7 N 0.40 1.25 0.00 0.77 2.04 -1.84 -3.29 117.51 116.84 2kwb h ILE 7 Ca -0.47 -0.95 -0.19 0.00 1.00 0.00 0.00 64.86 64.25 2kwb h ILE 7 Cb 1.22 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2kwb h ILE 7 CO 0.58 0.34 -1.71 2.22 0.00 0.00 0.00 178.15 179.57 2kwb n PHE 8 N -4.40 0.00 0.46 1.37 -1.74 -1.26 -4.66 117.46 107.22 2kwb n PHE 8 Ca 0.01 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.94 2kwb n PHE 8 Cb 0.27 -0.50 0.18 0.00 1.52 0.00 0.00 39.48 40.94 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2kwb n THR 9 N -2.55 0.93 0.27 1.97 -1.04 -1.25 -4.51 114.28 108.09 2kwb n THR 9 Ca -0.19 -0.58 0.13 0.00 -2.04 0.00 0.00 64.05 61.37 2kwb n THR 9 Cb 0.80 -0.09 0.71 0.00 -1.82 0.00 0.00 70.33 69.93 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 2.02 0.00 -0.29 8.00 2.03 -1.83 0.17 116.42 126.52 2kwb h ASP 10 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kwb h ASP 10 Cb 0.86 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.35 2kwb h ASP 10 CO 0.12 0.00 0.18 -0.78 -1.03 0.00 0.00 179.24 177.73 2kwb h ASP 11 N 0.00 0.36 -0.54 4.15 3.58 -1.92 -1.43 116.42 120.62 2kwb h ASP 11 Ca 0.00 -0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 2kwb h ASP 11 Cb 0.48 -0.09 -0.09 0.00 1.72 0.00 0.00 39.33 41.35 2kwb h ASP 11 CO 0.00 0.28 0.20 -0.62 -2.88 0.00 0.00 179.24 176.22 2kwb n GLU 12 N -4.47 2.97 -0.89 0.28 -0.58 0.59 -5.00 120.64 113.53 2kwb n GLU 12 Ca 0.02 -2.19 -0.36 0.00 -0.42 0.00 0.00 57.16 54.20 2kwb n GLU 12 Cb 0.09 -1.96 -0.06 0.00 -0.57 0.00 0.00 31.44 28.94 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2kwb n LEU 13 N -0.03 0.60 -4.75 -4.62 7.94 -0.54 -4.91 117.00 110.68 2kwb n LEU 13 Ca 0.29 0.58 -0.23 0.00 -1.11 0.00 0.00 56.01 55.55 2kwb n LEU 13 Cb 1.10 -0.49 -0.06 0.00 0.53 0.00 0.00 43.42 44.50 2kwb n LEU 13 CO 0.32 -0.45 -0.19 -0.55 -1.11 0.00 0.00 177.39 175.40 2kwb s SER 14 N 2.11 4.89 -0.25 1.96 0.15 -1.08 -4.97 113.70 116.51 2kwb s SER 14 Ca 0.60 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 2kwb s SER 14 Cb -0.83 -0.88 0.13 0.00 -1.71 0.00 0.00 66.02 62.73 2kwb s SER 14 CO 0.43 -0.23 0.35 -0.94 1.20 0.00 0.00 173.24 174.05 2kwb s SER 15 N -3.85 0.56 0.30 5.45 1.04 -1.25 -1.46 113.70 114.48 2kwb s SER 15 Ca 0.37 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.81 2kwb s SER 15 Cb -0.04 0.96 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 2kwb s SER 15 CO 0.23 -0.32 0.15 -1.81 0.98 0.00 0.00 173.24 172.47 2kwb s ASP 16 N 2.50 1.45 -0.45 7.02 1.01 -0.91 -4.79 116.67 122.49 2kwb s ASP 16 Ca 0.11 -1.53 0.03 0.00 0.71 0.00 0.00 52.55 51.87 2kwb s ASP 16 Cb -0.15 0.35 0.15 0.00 1.01 0.00 0.00 42.92 44.29 2kwb s ASP 16 CO -0.19 -0.86 0.31 -0.44 0.21 0.00 0.00 175.17 174.20 2kwb s SER 17 N -3.36 2.88 0.05 0.27 0.01 -1.26 -0.24 113.70 112.04 2kwb s SER 17 Ca 0.36 -2.90 0.02 0.00 1.31 0.00 0.00 55.95 54.73 2kwb s SER 17 Cb 0.05 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 2kwb s SER 17 CO 0.17 -0.21 -0.07 -0.36 0.41 0.00 0.00 173.24 173.18 2kwb s PHE 18 N 0.09 0.65 -0.78 2.43 0.08 -1.26 -5.10 117.98 114.09 2kwb s PHE 18 Ca 0.25 -0.59 -0.18 0.00 0.12 0.00 0.00 56.93 56.52 2kwb s PHE 18 Cb -0.10 -0.40 0.13 0.00 -0.57 0.00 0.00 43.02 42.08 2kwb s PHE 18 CO -0.10 -0.12 0.91 -1.25 -0.10 0.00 0.00 175.22 174.56 2kwb s PRO 19 N -2.02 3.37 0.23 0.24 0.04 -1.26 -5.06 135.00 130.55 2kwb s PRO 19 Ca -0.07 -1.66 -0.20 0.00 0.04 0.00 0.00 61.00 59.12 2kwb s PRO 19 Cb -0.07 -4.55 -0.08 0.00 0.04 0.00 0.00 34.50 29.84 2kwb s PRO 19 CO -0.01 -1.61 0.74 -1.64 0.04 0.00 0.00 177.00 174.51 2kwb s MET 20 N 2.35 4.25 -0.44 4.56 -1.94 -1.26 -5.00 119.30 121.82 2kwb s MET 20 Ca 0.22 0.88 -0.16 0.00 -1.71 0.00 0.00 55.69 54.92 2kwb s MET 20 Cb -0.13 -2.85 0.04 0.00 2.01 0.00 0.00 34.83 33.90 2kwb s MET 20 CO -0.02 0.37 0.37 0.15 -0.01 0.00 0.00 175.02 175.89 2kwb s LYS 21 N -2.04 3.00 -0.82 2.03 -0.14 -0.91 -4.93 119.74 115.94 2kwb s LYS 21 Ca 0.44 -1.08 -0.25 0.00 -1.36 0.00 0.00 55.97 53.71 2kwb s LYS 21 Cb -0.16 -4.04 0.01 0.00 -1.68 0.00 0.00 37.83 31.96 2kwb s LYS 21 CO 0.21 -0.89 1.58 -1.17 -0.76 0.00 0.00 175.35 174.32 2kwb s LEU 22 N 1.80 3.28 0.12 3.17 2.96 -1.26 -0.06 118.68 128.70 2kwb s LEU 22 Ca 0.06 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.18 2kwb s LEU 22 Cb -0.20 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 2kwb s LEU 22 CO 0.10 -2.05 0.67 0.54 -1.32 0.00 0.00 176.35 174.29 2kwb s VAL 23 N 7.12 4.56 -1.30 1.68 0.11 0.13 -3.90 120.40 128.80 2kwb s VAL 23 Ca 0.52 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 61.00 2kwb s VAL 23 Cb -0.07 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2kwb s VAL 23 CO 0.07 0.52 0.00 -0.67 -3.33 0.00 0.00 175.10 171.68 2kwb n ASP 24 N 1.59 -5.14 -1.56 3.54 2.03 -1.26 -1.61 116.55 114.14 2kwb n ASP 24 Ca -0.08 0.30 -0.18 0.00 0.52 0.00 0.00 54.79 55.36 2kwb n ASP 24 Cb 0.50 -4.01 -0.07 0.00 -0.72 0.00 0.00 41.12 36.81 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 -0.96 -4.77 -0.01 1.67 9.92 -1.25 -4.79 116.55 116.36 2kwb n ASP 25 Ca -0.12 0.43 -0.02 0.00 -0.53 0.00 0.00 54.79 54.55 2kwb n ASP 25 Cb 0.56 -4.27 -0.01 0.00 -0.64 0.00 0.00 41.12 36.77 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kwb n LEU 26 N -2.22 0.17 -4.22 0.64 7.94 -0.64 -5.03 117.00 113.65 2kwb n LEU 26 Ca -0.18 0.03 -0.16 0.00 -1.11 0.00 0.00 56.01 54.58 2kwb n LEU 26 Cb 0.60 -0.07 -0.11 0.00 0.53 0.00 0.00 43.42 44.37 2kwb n LEU 26 CO 0.27 0.03 -0.43 0.68 -1.11 0.00 0.00 177.39 176.83 2kwb s VAL 27 N -2.04 1.19 -0.19 1.96 -7.23 -1.05 -3.15 120.40 109.88 2kwb s VAL 27 Ca -0.03 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 2kwb s VAL 27 Cb 0.01 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2kwb s VAL 27 CO 0.04 -0.50 0.49 -0.31 -0.31 0.00 0.00 175.10 174.51 2kwb s TYR 28 N -2.35 3.38 -0.12 2.82 2.02 0.55 0.21 117.35 123.87 2kwb s TYR 28 Ca 0.08 0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 57.48 2kwb s TYR 28 Cb -0.04 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.85 2kwb s TYR 28 CO 0.02 -0.06 0.10 -1.83 -1.57 0.00 0.00 175.55 172.21 2kwb s GLU 29 N 1.49 3.36 -0.15 -0.62 -1.05 0.92 -2.19 118.70 120.46 2kwb s GLU 29 Ca 0.23 -0.21 -0.04 0.00 -0.15 0.00 0.00 54.97 54.80 2kwb s GLU 29 Cb -0.15 -3.09 0.06 0.00 -0.44 0.00 0.00 34.13 30.51 2kwb s GLU 29 CO 0.09 0.73 0.12 0.12 0.95 0.00 0.00 175.26 177.27 2kwb s PHE 30 N -0.90 0.03 0.07 4.83 5.36 -0.66 -2.14 117.98 124.57 2kwb s PHE 30 Ca 0.14 -0.02 -0.30 0.00 -0.96 0.00 0.00 56.93 55.79 2kwb s PHE 30 Cb -0.12 -0.54 -0.05 0.00 -0.34 0.00 0.00 43.02 41.97 2kwb s PHE 30 CO 0.03 -0.47 1.14 -1.59 -1.46 0.00 0.00 175.22 172.88 2kwb s LYS 31 N 2.20 4.48 0.24 10.12 0.00 -1.26 -0.24 119.74 135.28 2kwb s LYS 31 Ca 0.04 1.70 0.07 0.00 0.00 0.00 0.00 55.97 57.78 2kwb s LYS 31 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 37.83 34.27 2kwb s LYS 31 CO -0.09 -0.17 -0.11 0.20 0.00 0.00 0.00 175.35 175.19 2kwb s GLY 32 N 0.87 1.61 -0.20 0.59 0.00 -0.27 -4.96 107.32 104.96 2kwb s GLY 32 Ca 0.56 -1.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 2kwb s GLY 32 CO 0.30 -1.80 0.27 0.54 0.00 0.00 0.00 173.10 172.41 2kwb s LYS 33 N -3.68 4.16 -0.50 2.90 -0.14 -1.26 -4.06 119.74 117.16 2kwb s LYS 33 Ca 0.26 -0.02 -0.28 0.00 -1.36 0.00 0.00 55.97 54.56 2kwb s LYS 33 Cb 0.01 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.67 2kwb s LYS 33 CO 0.09 0.10 1.49 -3.38 -0.76 0.00 0.00 175.35 172.89 2kwb s HIS 34 N 0.93 2.21 0.30 3.18 -3.43 -1.26 -0.61 115.29 116.61 2kwb s HIS 34 Ca 0.13 0.58 0.04 0.00 -0.80 0.00 0.00 55.06 55.01 2kwb s HIS 34 Cb -0.13 -4.32 -0.03 0.00 -1.43 0.00 0.00 32.58 26.67 2kwb s HIS 34 CO 0.05 -2.10 0.26 0.14 -2.00 0.00 0.00 174.74 171.09 2kwb s VAL 35 N 6.23 0.00 0.04 -5.38 -7.23 0.57 -4.86 120.40 109.77 2kwb s VAL 35 Ca 0.59 -1.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 2kwb s VAL 35 Cb -0.13 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2kwb s VAL 35 CO 0.28 0.00 -0.11 0.68 -0.31 0.00 0.00 175.10 175.63 2kwb s VAL 36 N -3.58 0.88 -0.22 1.32 -7.23 -1.26 -1.95 120.40 108.36 2kwb s VAL 36 Ca 0.39 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.53 2kwb s VAL 36 Cb 0.03 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2kwb s VAL 36 CO 0.23 -0.12 0.00 -0.60 -0.31 0.00 0.00 175.10 174.30 2kwb s ARG 37 N -1.23 3.52 0.16 4.82 3.52 -0.24 -3.19 118.95 126.31 2kwb s ARG 37 Ca -0.02 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 2kwb s ARG 37 Cb -0.08 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 2kwb s ARG 37 CO 0.01 -0.14 -0.09 0.15 -0.81 0.00 0.00 175.30 174.42 2kwb s LYS 38 N 1.40 1.11 0.32 5.12 1.02 0.30 -2.67 119.74 126.34 2kwb s LYS 38 Ca 0.05 -1.49 0.05 0.00 0.02 0.00 0.00 55.97 54.60 2kwb s LYS 38 Cb -0.15 -0.66 0.68 0.00 -0.52 0.00 0.00 37.83 37.18 2kwb s LYS 38 CO 0.00 0.06 1.87 1.49 -0.92 0.00 0.00 175.35 177.86 2kwb h GLU 39 N 2.73 0.82 -0.46 1.68 4.57 -2.01 -3.05 114.58 118.85 2kwb h GLU 39 Ca -0.37 -0.05 -0.34 0.00 -1.18 0.00 0.00 59.36 57.43 2kwb h GLU 39 Cb 1.20 -0.19 -0.34 0.00 -0.16 0.00 0.00 28.75 29.26 2kwb h GLU 39 CO 0.63 0.55 -0.87 0.41 -1.18 0.00 0.00 179.01 178.55 2kwb n GLY 40 N -1.40 4.40 3.64 1.92 0.00 -1.26 -5.03 105.19 107.46 2kwb n GLY 40 Ca 0.17 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2kwb n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwb s GLU 41 N -3.23 0.35 -0.03 1.61 2.12 -1.16 -5.19 118.70 113.17 2kwb s GLU 41 Ca 0.41 0.54 -0.15 0.00 0.36 0.00 0.00 54.97 56.13 2kwb s GLU 41 Cb 0.38 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.89 2kwb s GLU 41 CO -0.02 -0.06 0.32 -1.50 -0.54 0.00 0.00 175.26 173.45 2kwb s ILE 42 N 0.98 0.05 -0.32 -3.70 1.10 -1.26 -0.54 121.20 117.51 2kwb s ILE 42 Ca -0.05 -0.41 -0.29 0.00 -0.51 0.00 0.00 60.65 59.39 2kwb s ILE 42 Cb -0.04 -0.60 0.04 0.00 0.15 0.00 0.00 42.46 42.02 2kwb s ILE 42 CO -0.13 -0.23 0.48 0.55 -2.11 0.00 0.00 174.94 173.51 2kwb n VAL 43 N 1.47 -2.90 -2.91 4.00 3.14 -1.19 -4.87 118.33 115.06 2kwb n VAL 43 Ca -0.21 0.09 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 2kwb n VAL 43 Cb 0.56 -2.74 -0.04 0.00 -1.06 0.00 0.00 33.84 30.56 2kwb n VAL 43 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2kwb s LEU 44 N -1.84 4.58 -1.14 6.55 2.01 -1.26 -4.95 118.68 122.63 2kwb s LEU 44 Ca 0.28 -1.04 -0.17 0.00 0.01 0.00 0.00 54.13 53.21 2kwb s LEU 44 Cb -0.03 -2.42 -0.05 0.00 0.01 0.00 0.00 46.19 43.70 2kwb s LEU 44 CO 0.63 -1.35 2.11 0.00 1.01 0.00 0.00 176.35 178.75 2kwb n ALA 45 N 7.39 4.58 -2.44 4.21 0.00 -1.26 -4.90 120.51 128.09 2kwb n ALA 45 Ca -0.05 -3.57 -0.23 0.00 0.00 0.00 0.00 53.44 49.60 2kwb n ALA 45 Cb 0.45 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.34 2kwb n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kwb s GLY 46 N 3.98 1.50 0.00 0.00 0.00 -1.26 -5.10 107.32 106.44 2kwb s GLY 46 Ca 0.52 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 2kwb s GLY 46 CO 0.01 -0.94 0.31 -0.45 0.00 0.00 0.00 173.10 172.03 2kwb s SER 47 N -4.16 6.59 -0.10 1.64 0.15 -1.26 -5.10 113.70 111.46 2kwb s SER 47 Ca 0.45 0.70 -0.06 0.00 0.70 0.00 0.00 55.95 57.75 2kwb s SER 47 Cb -0.10 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.11 2kwb s SER 47 CO 0.36 0.28 0.25 0.21 1.20 0.00 0.00 173.24 175.54 2kwb s ASN 48 N -1.45 -0.26 1.21 5.45 2.47 -1.26 -5.17 114.94 115.93 2kwb s ASN 48 Ca 0.26 0.52 -0.11 0.00 0.42 0.00 0.00 52.86 53.95 2kwb s ASN 48 Cb -0.14 0.42 0.17 0.00 -1.45 0.00 0.00 41.25 40.25 2kwb s ASN 48 CO 0.14 -0.16 0.43 -2.65 -3.72 0.00 0.00 177.10 171.14 2kwb n PRO 49 N 4.11 -3.12 -1.64 0.43 -0.02 -1.26 -4.86 135.00 128.64 2kwb n PRO 49 Ca -0.24 -0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 60.08 2kwb n PRO 49 Cb 0.53 -0.87 -0.04 0.00 -0.02 0.00 0.00 33.50 33.11 2kwb n PRO 49 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2kwb n SER 50 N -4.26 3.71 0.00 2.55 3.41 -1.26 -4.86 113.62 112.93 2kwb n SER 50 Ca 0.07 0.73 0.11 0.00 -0.26 0.00 0.00 58.87 59.52 2kwb n SER 50 Cb 0.28 -1.49 0.15 0.00 -0.26 0.00 0.00 64.21 62.89 2kwb n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kwb n ALA 51 N 8.42 3.80 -1.89 7.33 0.00 -1.26 -4.71 120.51 132.20 2kwb n ALA 51 Ca 0.24 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 2kwb n ALA 51 Cb 0.38 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2kwb n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kwb n GLU 52 N -1.55 1.55 0.00 0.00 0.00 -1.26 -4.59 120.64 114.78 2kwb n GLU 52 Ca 0.05 -2.34 0.00 0.00 0.00 0.00 0.00 57.16 54.87 2kwb n GLU 52 Cb 0.34 -3.58 0.00 0.00 0.00 0.00 0.00 31.44 28.20 2kwb n GLU 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2kwb n GLU 53 N 8.05 0.00 -1.12 5.31 4.07 -1.26 -5.14 120.64 130.54 2kwb n GLU 53 Ca 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 2kwb n GLU 53 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2kwb n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kwb n GLY 54 N 0.00 -4.37 2.65 8.31 0.00 -1.26 -5.02 105.19 105.50 2kwb n GLY 54 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 55 N -0.62 1.55 -0.20 4.61 0.00 -1.26 -5.08 121.76 120.75 2kwb s ALA 55 Ca 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 51.96 49.94 2kwb s ALA 55 Cb 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.51 2kwb s ALA 55 CO 0.00 -1.89 0.15 -1.83 0.00 0.00 0.00 175.76 172.19 2kwb s GLU 56 N 1.12 0.14 -0.03 0.00 4.04 -1.26 -5.14 118.70 117.56 2kwb s GLU 56 Ca 0.14 -0.05 0.05 0.00 0.04 0.00 0.00 54.97 55.15 2kwb s GLU 56 Cb -0.21 -1.47 -0.01 0.00 0.02 0.00 0.00 34.13 32.46 2kwb s GLU 56 CO -0.12 -0.73 -0.18 -0.51 -1.84 0.00 0.00 175.26 171.88 2kwb s ASP 57 N 2.21 2.15 0.10 0.83 1.11 -1.26 -5.03 116.67 116.79 2kwb s ASP 57 Ca 0.05 -0.34 -0.14 0.00 0.18 0.00 0.00 52.55 52.30 2kwb s ASP 57 Cb -0.16 -0.42 -0.11 0.00 1.07 0.00 0.00 42.92 43.30 2kwb s ASP 57 CO -0.15 0.19 1.37 -2.24 1.18 0.00 0.00 175.17 175.52 2kwb h ASP 58 N 5.97 0.83 0.00 0.27 2.03 -2.08 -3.47 116.42 119.97 2kwb h ASP 58 Ca -0.35 -0.53 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 2kwb h ASP 58 Cb 1.16 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 2kwb h ASP 58 CO 0.48 1.21 0.00 0.61 -1.03 0.00 0.00 179.24 180.51 2kwb n GLY 59 N 0.37 0.26 2.17 7.15 0.00 -1.26 -4.78 105.19 109.09 2kwb n GLY 59 Ca -0.05 0.67 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwb n SER 60 N 5.55 -3.19 -0.88 1.61 3.41 -1.26 -4.76 113.62 114.10 2kwb n SER 60 Ca 0.00 0.17 0.04 0.00 -0.26 0.00 0.00 58.87 58.82 2kwb n SER 60 Cb 0.00 -2.62 0.16 0.00 -0.26 0.00 0.00 64.21 61.49 2kwb n SER 60 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kwb n ASP 61 N 0.12 1.73 0.00 4.04 5.75 -1.26 -4.82 116.55 122.11 2kwb n ASP 61 Ca -0.07 -3.50 0.01 0.00 -0.01 0.00 0.00 54.79 51.22 2kwb n ASP 61 Cb 0.34 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kwb n GLU 62 N -0.78 0.06 0.28 0.11 4.71 -1.26 -1.03 120.64 122.74 2kwb n GLU 62 Ca 0.18 0.04 0.17 0.00 -0.01 0.00 0.00 57.16 57.54 2kwb n GLU 62 Cb 0.80 -1.50 0.76 0.00 -1.01 0.00 0.00 31.44 30.49 2kwb n GLU 62 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kwb h HIS 63 N 0.00 0.00 -3.44 -0.32 3.86 -2.00 -3.44 115.15 109.81 2kwb h HIS 63 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2kwb h HIS 63 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2kwb h HIS 63 CO 0.00 0.03 -0.09 0.08 0.86 0.00 0.00 177.93 178.81 2kwb s VAL 64 N -3.79 4.89 -1.40 2.45 1.01 -0.19 -4.99 120.40 118.38 2kwb s VAL 64 Ca -0.00 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 2kwb s VAL 64 Cb 0.10 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kwb s VAL 64 CO 0.53 -0.02 2.09 -0.62 0.00 0.00 0.00 175.10 177.08 2kwb n GLU 65 N 0.03 2.91 -3.11 2.72 4.71 -1.09 -4.94 120.64 121.87 2kwb n GLU 65 Ca -0.00 -2.77 -0.39 0.00 -0.01 0.00 0.00 57.16 53.98 2kwb n GLU 65 Cb 0.52 -3.34 -0.05 0.00 -1.01 0.00 0.00 31.44 27.56 2kwb n GLU 65 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2kwb s ARG 66 N 3.55 4.40 0.00 3.49 0.52 -1.26 -1.08 118.95 128.57 2kwb s ARG 66 Ca 0.49 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 2kwb s ARG 66 Cb 0.11 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.17 2kwb s ARG 66 CO -0.04 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.87 2kwb n GLY 67 N 2.88 -0.14 3.62 -3.53 0.00 -0.82 -4.99 105.19 102.21 2kwb n GLY 67 Ca -0.03 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.96 3.73 0.30 -0.61 -4.36 -1.26 -0.32 121.20 114.73 2kwb s ILE 68 Ca 0.00 -0.86 -0.01 0.00 -0.26 0.00 0.00 60.65 59.52 2kwb s ILE 68 Cb 0.00 -2.68 0.42 0.00 1.25 0.00 0.00 42.46 41.46 2kwb s ILE 68 CO 0.00 0.30 1.57 -0.78 0.24 0.00 0.00 174.94 176.27 2kwb h ASP 69 N 4.17 -0.59 -0.38 4.36 3.58 -1.19 0.52 116.42 126.90 2kwb h ASP 69 Ca -0.48 0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.33 2kwb h ASP 69 Cb 1.17 0.52 -0.09 0.00 1.72 0.00 0.00 39.33 42.65 2kwb h ASP 69 CO 0.55 -0.35 -0.30 0.40 -2.88 0.00 0.00 179.24 176.67 2kwb h ILE 70 N 0.01 0.27 0.04 2.25 2.04 -1.93 -0.57 117.51 119.62 2kwb h ILE 70 Ca 0.57 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 66.17 2kwb h ILE 70 Cb 1.11 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2kwb h ILE 70 CO -0.95 0.00 -1.31 -0.37 0.00 0.00 0.00 178.15 175.53 2kwb h VAL 71 N -0.23 1.37 -0.39 1.67 -1.51 -1.47 -3.23 116.25 112.46 2kwb h VAL 71 Ca 0.17 -3.08 -0.08 0.00 -1.23 0.00 0.00 66.70 62.49 2kwb h VAL 71 Cb 0.52 2.75 -0.02 0.00 -2.13 0.00 0.00 31.29 32.41 2kwb h VAL 71 CO -0.51 0.83 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.50 2kwb h LEU 72 N 0.03 0.65 -0.05 4.19 3.38 -0.76 0.43 115.31 123.17 2kwb h LEU 72 Ca -0.14 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2kwb h LEU 72 Cb 1.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2kwb h LEU 72 CO 0.14 0.77 -0.05 -3.20 0.09 0.00 0.00 178.44 176.19 2kwb n ASN 73 N -4.19 0.12 0.00 -0.43 5.15 -0.24 -3.37 115.26 112.30 2kwb n ASN 73 Ca 0.01 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 2kwb n ASN 73 Cb 0.33 -0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 2kwb n ASN 73 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2kwb n HIS 74 N -1.26 0.00 -4.10 1.20 8.25 -0.84 -5.04 115.22 113.43 2kwb n HIS 74 Ca 0.13 -0.32 -0.46 0.00 -0.26 0.00 0.00 57.72 56.81 2kwb n HIS 74 Cb 0.27 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.36 2kwb n HIS 74 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kwb n LYS 75 N -0.32 -0.25 -3.55 -0.41 2.85 0.14 -4.81 118.16 111.81 2kwb n LYS 75 Ca 0.00 0.04 -0.37 0.00 -1.05 0.00 0.00 58.31 56.93 2kwb n LYS 75 Cb 0.26 -2.42 -0.06 0.00 -0.65 0.00 0.00 35.03 32.16 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kwb s LEU 76 N -7.45 4.42 -0.05 -5.58 1.43 -0.78 -4.07 118.68 106.60 2kwb s LEU 76 Ca 0.45 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.31 2kwb s LEU 76 Cb -0.25 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 2kwb s LEU 76 CO 0.96 0.27 0.30 0.54 0.23 0.00 0.00 176.35 178.65 2kwb s VAL 77 N -1.20 5.23 0.22 -1.59 0.11 -0.79 -4.88 120.40 117.49 2kwb s VAL 77 Ca 0.27 0.57 -0.12 0.00 -2.93 0.00 0.00 61.98 59.76 2kwb s VAL 77 Cb -0.15 -3.58 -0.07 0.00 -1.53 0.00 0.00 36.38 31.04 2kwb s VAL 77 CO 0.15 0.59 0.59 -0.70 -3.33 0.00 0.00 175.10 172.39 2kwb s GLU 78 N -1.09 3.91 0.17 1.54 2.12 -1.26 -1.89 118.70 122.20 2kwb s GLU 78 Ca 0.20 0.43 -0.09 0.00 0.36 0.00 0.00 54.97 55.88 2kwb s GLU 78 Cb -0.15 -2.70 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 2kwb s GLU 78 CO 0.10 0.34 0.29 0.00 -0.54 0.00 0.00 175.26 175.45 2kwb s MET 79 N -2.55 1.16 0.05 4.30 0.23 0.16 -4.98 119.30 117.67 2kwb s MET 79 Ca 0.45 -1.17 -0.27 0.00 -1.03 0.00 0.00 55.69 53.68 2kwb s MET 79 Cb -0.12 0.38 0.08 0.00 -1.53 0.00 0.00 34.83 33.64 2kwb s MET 79 CO 0.20 -0.43 0.74 0.54 -2.03 0.00 0.00 175.02 174.04 2kwb s ASN 80 N -2.97 -0.50 0.42 -1.18 2.20 -1.26 -2.24 114.94 109.41 2kwb s ASN 80 Ca 0.17 0.13 0.34 0.00 -0.94 0.00 0.00 52.86 52.56 2kwb s ASN 80 Cb 0.03 0.50 1.39 0.00 -2.00 0.00 0.00 41.25 41.17 2kwb s ASN 80 CO 0.00 -0.76 1.38 0.00 -2.94 0.00 0.00 177.10 174.78 2kwb h TYR 82 N 0.00 0.23 0.01 0.00 -0.00 -2.00 -2.72 116.97 112.49 2kwb h TYR 82 Ca 0.80 -0.05 -0.41 0.00 -0.00 0.00 0.00 58.73 59.06 2kwb h TYR 82 Cb 2.80 -0.05 -0.06 0.00 -0.00 0.00 0.00 36.73 39.41 2kwb h TYR 82 CO -0.00 0.54 -2.31 -1.91 -0.00 0.00 0.00 178.16 174.47 2kwb n GLU 83 N -4.08 0.61 -0.41 0.10 4.07 -0.23 -4.55 120.64 116.15 2kwb n GLU 83 Ca -0.01 0.28 0.08 0.00 -0.06 0.00 0.00 57.16 57.45 2kwb n GLU 83 Cb 0.43 -1.55 0.27 0.00 -0.06 0.00 0.00 31.44 30.53 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2kwb n ASP 84 N -3.99 3.50 -0.32 4.31 5.75 -1.21 -4.65 116.55 119.94 2kwb n ASP 84 Ca -0.48 -2.21 -0.10 0.00 -0.01 0.00 0.00 54.79 51.99 2kwb n ASP 84 Cb 0.89 -0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 40.44 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kwb h ALA 85 N 3.90 -0.52 -0.19 2.12 0.00 -1.72 0.20 119.26 123.05 2kwb h ALA 85 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kwb h ALA 85 Cb 1.01 1.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.07 2kwb h ALA 85 CO 0.11 -0.86 -0.17 0.77 0.00 0.00 0.00 179.25 179.10 2kwb h SER 86 N -0.06 0.30 0.11 0.00 0.02 -1.88 -2.41 113.55 109.63 2kwb h SER 86 Ca 0.12 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2kwb h SER 86 Cb 0.38 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kwb h SER 86 CO -0.76 0.50 -0.05 0.24 -1.14 0.00 0.00 176.83 175.62 2kwb h MET 87 N 0.29 -0.14 0.00 3.45 2.07 -1.06 -2.50 114.93 117.04 2kwb h MET 87 Ca 0.05 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2kwb h MET 87 Cb 0.48 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 2kwb h MET 87 CO 0.03 0.34 0.00 0.27 1.07 0.00 0.00 176.91 178.62 2kwb h PHE 88 N -0.73 0.00 -0.44 -0.22 -5.15 -0.87 -1.67 116.94 107.86 2kwb h PHE 88 Ca -0.02 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2kwb h PHE 88 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.70 2kwb h PHE 88 CO 0.10 0.00 0.14 -0.22 -2.00 0.00 0.00 178.31 176.32 2kwb h LYS 89 N 0.00 0.68 -0.74 6.09 3.64 -1.39 0.55 116.57 125.41 2kwb h LYS 89 Ca 0.00 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2kwb h LYS 89 Cb 0.58 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2kwb h LYS 89 CO 0.00 0.66 0.33 0.00 -2.27 0.00 0.00 179.45 178.17 2kwb h ALA 90 N 0.99 0.95 -0.04 5.00 0.00 -0.97 -2.00 119.26 123.20 2kwb h ALA 90 Ca 0.14 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kwb h ALA 90 Cb 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2kwb h ALA 90 CO -0.00 0.54 -0.21 -0.92 0.00 0.00 0.00 179.25 178.66 2kwb h TYR 91 N 1.05 -0.54 -0.12 0.00 3.20 -1.02 -1.63 116.97 117.89 2kwb h TYR 91 Ca 0.25 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.05 2kwb h TYR 91 Cb 0.16 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2kwb h TYR 91 CO 0.01 -0.29 -0.33 0.97 -1.64 0.00 0.00 178.16 176.88 2kwb h ILE 92 N -0.31 1.27 0.28 1.81 6.09 -0.80 0.11 117.51 125.96 2kwb h ILE 92 Ca 0.07 -1.32 -0.01 0.00 -1.37 0.00 0.00 64.86 62.23 2kwb h ILE 92 Cb 0.41 1.55 0.00 0.00 0.47 0.00 0.00 36.82 39.25 2kwb h ILE 92 CO -0.22 0.40 -0.13 0.50 -3.07 0.00 0.00 178.15 175.62 2kwb h LYS 93 N 0.21 -0.36 -0.05 2.19 3.11 -1.13 0.54 116.57 121.08 2kwb h LYS 93 Ca 0.03 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2kwb h LYS 93 Cb 0.69 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.00 2kwb h LYS 93 CO 0.05 -0.13 0.03 0.87 -2.81 0.00 0.00 179.45 177.47 2kwb h LYS 94 N -0.54 0.07 0.03 1.90 1.79 -1.19 -2.35 116.57 116.27 2kwb h LYS 94 Ca -0.04 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2kwb h LYS 94 Cb 0.40 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 2kwb h LYS 94 CO 0.06 0.06 -0.45 0.35 -1.08 0.00 0.00 179.45 178.39 2kwb h PHE 95 N 0.06 -1.29 -0.31 -1.35 3.57 -0.74 0.22 116.94 117.09 2kwb h PHE 95 Ca 0.02 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2kwb h PHE 95 Cb 0.00 0.56 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 2kwb h PHE 95 CO -0.07 -0.53 -0.03 1.98 -2.23 0.00 0.00 178.31 177.43 2kwb h MET 96 N -0.62 0.05 -0.10 1.11 4.05 -0.87 -0.88 114.93 117.67 2kwb h MET 96 Ca 0.03 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2kwb h MET 96 Cb 0.68 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2kwb h MET 96 CO -0.31 0.03 0.01 -0.22 0.23 0.00 0.00 176.91 176.64 2kwb h LYS 97 N 0.05 0.16 -0.76 0.39 3.64 -1.19 -2.77 116.57 116.09 2kwb h LYS 97 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2kwb h LYS 97 Cb 0.21 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2kwb h LYS 97 CO -0.28 0.40 0.28 -0.91 -2.27 0.00 0.00 179.45 176.68 2kwb h ASN 98 N -0.10 1.07 -0.21 4.20 4.21 -0.34 0.16 115.58 124.58 2kwb h ASN 98 Ca 0.03 -0.19 -0.05 0.00 1.21 0.00 0.00 56.30 57.30 2kwb h ASN 98 Cb 0.33 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 2kwb h ASN 98 CO 0.00 0.97 -0.08 -0.37 -1.29 0.00 0.00 177.43 176.66 2kwb h VAL 99 N 1.12 1.30 -0.24 2.81 -1.51 -1.20 0.64 116.25 119.16 2kwb h VAL 99 Ca 0.25 -1.11 -0.06 0.00 -1.23 0.00 0.00 66.70 64.56 2kwb h VAL 99 Cb 0.25 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2kwb h VAL 99 CO -0.02 0.34 -0.07 0.40 -1.23 0.00 0.00 177.57 176.99 2kwb h ILE 100 N 0.14 1.29 -0.82 7.19 1.08 -1.39 -2.64 117.51 122.35 2kwb h ILE 100 Ca 0.05 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 2kwb h ILE 100 Cb 0.55 1.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 2kwb h ILE 100 CO 0.03 0.34 0.46 -0.78 -0.69 0.00 0.00 178.15 177.50 2kwb h ASP 101 N 0.21 1.03 -0.35 1.72 3.58 -0.69 0.11 116.42 122.03 2kwb h ASP 101 Ca 0.06 -0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.44 2kwb h ASP 101 Cb 0.54 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2kwb h ASP 101 CO 0.03 0.82 0.19 -0.74 -2.88 0.00 0.00 179.24 176.66 2kwb h HIS 102 N 1.15 0.35 -0.20 0.28 2.76 -0.82 0.16 115.15 118.82 2kwb h HIS 102 Ca 0.29 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 2kwb h HIS 102 Cb 0.02 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 2kwb h HIS 102 CO 0.00 0.19 -0.11 1.98 -1.30 0.00 0.00 177.93 178.69 2kwb h MET 103 N 0.38 0.43 -0.77 5.26 1.85 -1.19 -3.10 114.93 117.78 2kwb h MET 103 Ca 0.14 -0.20 0.03 0.00 -0.61 0.00 0.00 59.70 59.07 2kwb h MET 103 Cb 0.03 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 2kwb h MET 103 CO -0.08 0.73 0.51 1.49 -0.40 0.00 0.00 176.91 179.16 2kwb h GLU 104 N 0.12 0.93 -0.21 0.39 4.81 -0.63 0.18 114.58 120.16 2kwb h GLU 104 Ca 0.04 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2kwb h GLU 104 Cb 0.62 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 2kwb h GLU 104 CO 0.03 0.61 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.60 2kwb h LYS 105 N 0.96 -0.09 0.00 1.92 1.63 -0.61 -2.20 116.57 118.18 2kwb h LYS 105 Ca 0.31 0.01 -0.34 0.00 -0.85 0.00 0.00 60.65 59.77 2kwb h LYS 105 Cb 0.03 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.62 2kwb h LYS 105 CO -0.09 -0.06 -2.28 0.27 -3.45 0.00 0.00 179.45 173.84 2kwb n ASN 106 N -5.27 1.71 0.04 4.20 0.23 -1.17 -4.68 115.26 110.32 2kwb n ASN 106 Ca -0.02 -0.09 -0.09 0.00 -0.53 0.00 0.00 54.58 53.86 2kwb n ASN 106 Cb 0.19 0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 2kwb n ASN 106 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2kwb h ASN 107 N 0.00 -0.18 0.00 0.53 4.21 -0.76 -3.47 115.58 115.91 2kwb h ASN 107 Ca -0.50 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 56.72 2kwb h ASN 107 Cb 1.89 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 39.14 2kwb h ASN 107 CO -0.05 0.39 0.00 -1.14 -1.29 0.00 0.00 177.43 175.35 2kwb n ARG 108 N -4.90 0.00 -2.95 0.81 0.63 -0.83 -4.94 116.66 104.48 2kwb n ARG 108 Ca -0.06 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.45 2kwb n ARG 108 Cb 0.23 -3.80 -0.05 0.00 0.45 0.00 0.00 32.46 29.29 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kwb s ASP 109 N -2.35 6.76 0.30 6.15 -1.08 -1.26 -4.95 116.67 120.24 2kwb s ASP 109 Ca 0.00 0.93 0.02 0.00 -0.52 0.00 0.00 52.55 52.99 2kwb s ASP 109 Cb 0.00 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.52 2kwb s ASP 109 CO 0.00 -0.48 1.79 0.11 0.52 0.00 0.00 175.17 177.10 2kwb h LYS 110 N 7.76 0.56 -0.55 4.34 1.79 -1.98 -2.19 116.57 126.29 2kwb h LYS 110 Ca -0.24 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 57.98 2kwb h LYS 110 Cb 1.10 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 2kwb h LYS 110 CO 0.85 0.66 -0.01 0.00 -1.08 0.00 0.00 179.45 179.87 2kwb h ALA 111 N 1.37 0.94 0.12 3.86 0.00 -1.99 -0.04 119.26 123.52 2kwb h ALA 111 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kwb h ALA 111 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kwb h ALA 111 CO 0.03 0.63 -0.06 -0.44 0.00 0.00 0.00 179.25 179.42 2kwb h ASP 112 N 0.87 -0.13 0.51 0.00 3.32 -1.95 -2.76 116.42 116.28 2kwb h ASP 112 Ca 0.16 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2kwb h ASP 112 Cb 0.53 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2kwb h ASP 112 CO 0.03 0.44 -0.05 -0.37 -1.72 0.00 0.00 179.24 177.57 2kwb h VAL 113 N -0.79 0.21 -0.05 -1.35 -1.51 -1.42 -0.95 116.25 110.39 2kwb h VAL 113 Ca -0.02 -0.39 -0.19 0.00 -1.23 0.00 0.00 66.70 64.87 2kwb h VAL 113 Cb 0.56 1.32 0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2kwb h VAL 113 CO 0.03 0.05 -0.72 -0.78 -1.23 0.00 0.00 177.57 174.91 2kwb h ASP 114 N 0.00 0.72 -0.12 4.19 3.58 -1.04 -0.98 116.42 122.76 2kwb h ASP 114 Ca -0.00 -0.71 -0.02 0.00 0.42 0.00 0.00 57.03 56.73 2kwb h ASP 114 Cb 0.31 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kwb h ASP 114 CO 0.01 1.32 0.02 0.00 -2.88 0.00 0.00 179.24 177.70 2kwb h ALA 115 N 0.41 0.17 -0.28 -0.78 0.00 -1.13 -1.03 119.26 116.62 2kwb h ALA 115 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kwb h ALA 115 Cb 1.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2kwb h ALA 115 CO 0.14 -0.17 0.16 0.35 0.00 0.00 0.00 179.25 179.73 2kwb h PHE 116 N -0.03 0.29 -0.94 0.00 3.57 -1.28 -1.90 116.94 116.66 2kwb h PHE 116 Ca 0.04 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2kwb h PHE 116 Cb 0.31 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 2kwb h PHE 116 CO 0.02 0.17 0.59 -0.22 -2.23 0.00 0.00 178.31 176.64 2kwb h LYS 117 N 0.33 1.01 -0.98 1.11 3.11 -1.13 -1.16 116.57 118.85 2kwb h LYS 117 Ca 0.11 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 57.92 2kwb h LYS 117 Cb 0.01 -0.23 -0.05 0.00 -1.00 0.00 0.00 32.23 30.96 2kwb h LYS 117 CO -0.06 0.67 0.64 -0.22 -2.81 0.00 0.00 179.45 177.67 2kwb h LYS 118 N 1.04 1.24 0.73 1.90 1.63 -0.69 0.39 116.57 122.81 2kwb h LYS 118 Ca 0.42 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.11 2kwb h LYS 118 Cb 0.24 -0.28 0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2kwb h LYS 118 CO -0.19 0.82 -0.35 0.87 -3.45 0.00 0.00 179.45 177.15 2kwb h LYS 119 N 1.28 -0.94 -0.45 1.90 1.79 -0.46 -0.31 116.57 119.38 2kwb h LYS 119 Ca 0.38 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.91 2kwb h LYS 119 Cb -0.07 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2kwb h LYS 119 CO -0.10 -0.61 0.30 0.82 -1.08 0.00 0.00 179.45 178.77 2kwb h ILE 120 N -1.06 1.11 0.15 1.86 1.08 -1.26 0.21 117.51 119.59 2kwb h ILE 120 Ca -0.10 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2kwb h ILE 120 Cb 0.77 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2kwb h ILE 120 CO 0.16 0.11 -0.07 -0.61 -0.69 0.00 0.00 178.15 177.05 2kwb h GLN 121 N 0.60 -0.19 -0.63 2.37 -0.00 -0.95 -1.42 115.11 114.90 2kwb h GLN 121 Ca 0.16 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.81 2kwb h GLN 121 Cb -0.07 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.43 2kwb h GLN 121 CO -0.04 -0.06 0.31 0.78 0.00 0.00 0.00 178.83 179.82 2kwb h GLY 122 N -0.28 0.94 0.72 2.39 0.00 -0.95 -2.04 103.07 103.85 2kwb h GLY 122 Ca -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2kwb h GLY 122 CO 0.03 0.42 -0.21 -0.25 0.00 0.00 0.00 176.54 176.53 2kwb h TRP 123 N 0.88 -0.56 -0.42 5.60 7.01 -0.26 -2.00 115.95 126.21 2kwb h TRP 123 Ca 0.22 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.14 2kwb h TRP 123 Cb 0.08 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 2kwb h TRP 123 CO 0.01 -0.31 -0.08 -0.39 -2.79 0.00 0.00 178.44 174.88 2kwb h VAL 124 N -0.44 1.27 -0.70 2.65 -1.51 -1.16 0.10 116.25 116.47 2kwb h VAL 124 Ca 0.01 -1.17 0.07 0.00 -1.23 0.00 0.00 66.70 64.38 2kwb h VAL 124 Cb 0.42 1.17 -0.06 0.00 -2.13 0.00 0.00 31.29 30.69 2kwb h VAL 124 CO -0.07 0.39 0.37 0.58 -1.23 0.00 0.00 177.57 177.62 2kwb h VAL 125 N 0.62 0.92 -0.07 7.19 2.07 -1.30 0.27 116.25 125.96 2kwb h VAL 125 Ca 0.11 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2kwb h VAL 125 Cb 0.60 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2kwb h VAL 125 CO 0.04 0.12 -0.17 -1.28 0.02 0.00 0.00 177.57 176.29 2kwb h SER 126 N 0.67 0.27 0.32 0.57 0.87 -1.30 -3.29 113.55 111.67 2kwb h SER 126 Ca 0.32 -0.59 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2kwb h SER 126 Cb 0.26 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2kwb h SER 126 CO -0.22 0.81 -0.21 0.25 -0.53 0.00 0.00 176.83 176.93 2kwb h LEU 127 N -0.26 0.00 -0.49 2.23 5.85 -0.59 -1.77 115.31 120.29 2kwb h LEU 127 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kwb h LEU 127 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2kwb h LEU 127 CO 0.04 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 2kwb n LEU 128 N -4.00 0.74 -4.46 2.25 4.77 0.93 -4.72 117.00 112.50 2kwb n LEU 128 Ca -0.02 -0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 55.47 2kwb n LEU 128 Cb 0.29 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2kwb n LEU 128 CO 0.35 0.14 1.20 0.00 -1.33 0.00 0.00 177.39 177.75 2kwb n ALA 129 N -0.35 0.61 0.18 -1.18 0.00 -0.67 -4.73 120.51 114.37 2kwb n ALA 129 Ca 0.18 -2.44 0.12 0.00 0.00 0.00 0.00 53.44 51.30 2kwb n ALA 129 Cb 0.20 -3.42 0.65 0.00 0.00 0.00 0.00 19.45 16.88 2kwb n ALA 129 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2kwb h LYS 130 N 11.09 0.00 -0.35 0.00 2.10 -1.89 -0.35 116.57 127.16 2kwb h LYS 130 Ca 0.07 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2kwb h LYS 130 Cb 0.95 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 2kwb h LYS 130 CO 1.16 0.00 0.21 0.22 -2.00 0.00 0.00 179.45 179.03 2kwb h ASP 131 N 0.00 0.34 0.00 7.07 3.58 -1.99 -2.76 116.42 122.66 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 0.00 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2kwb h ASP 131 CO 0.00 0.24 -1.80 0.54 -2.88 0.00 0.00 179.24 175.34 2kwb n ARG 132 N -4.89 0.49 0.00 0.28 1.74 -1.07 -4.59 116.66 108.62 2kwb n ARG 132 Ca 0.00 0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.18 2kwb n ARG 132 Cb 0.05 -1.28 0.14 0.00 -1.02 0.00 0.00 32.46 30.36 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kwb n PHE 133 N -2.87 0.00 -0.24 -1.55 3.01 -0.17 -2.42 117.46 113.22 2kwb n PHE 133 Ca -0.24 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.53 2kwb n PHE 133 Cb 0.77 -0.22 0.62 0.00 -0.01 0.00 0.00 39.48 40.64 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 -0.93 -1.08 2.10 -1.67 0.80 116.57 115.80 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 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 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 -3.60 1.89 -4.74 7.07 3.02 -1.02 -4.87 115.26 113.02 2kwb n ASN 135 Ca 0.23 -2.17 -0.39 0.00 -0.03 0.00 0.00 54.58 52.22 2kwb n ASN 135 Cb 1.35 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 39.93 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 -0.49 4.35 -0.21 3.41 1.43 0.27 -4.74 118.68 122.69 2kwb s LEU 136 Ca 0.10 1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 54.25 2kwb s LEU 136 Cb 0.07 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2kwb s LEU 136 CO 0.03 -0.00 0.01 0.00 0.23 0.00 0.00 176.35 176.62 2kwb s ALA 137 N 0.35 3.04 -0.22 4.21 0.00 -1.02 -4.93 121.76 123.19 2kwb s ALA 137 Ca 0.33 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2kwb s ALA 137 Cb -0.17 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2kwb s ALA 137 CO 0.16 -0.25 0.11 -0.06 0.00 0.00 0.00 175.76 175.72 2kwb s PHE 138 N 1.18 3.24 0.01 0.00 0.08 -0.95 -0.63 117.98 120.91 2kwb s PHE 138 Ca 0.03 0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.20 2kwb s PHE 138 Cb -0.14 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2kwb s PHE 138 CO 0.02 0.02 -0.24 -0.06 -0.10 0.00 0.00 175.22 174.85 2kwb s PHE 139 N 0.90 2.14 0.35 0.36 0.40 -0.17 0.36 117.98 122.33 2kwb s PHE 139 Ca 0.05 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2kwb s PHE 139 Cb -0.13 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.02 2kwb s PHE 139 CO 0.03 0.03 0.09 0.96 0.70 0.00 0.00 175.22 177.03 2kwb s ILE 140 N -0.67 0.88 0.69 0.64 -4.36 -0.79 -0.29 121.20 117.29 2kwb s ILE 140 Ca 0.10 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 2kwb s ILE 140 Cb -0.09 -2.60 0.02 0.00 1.25 0.00 0.00 42.46 41.03 2kwb s ILE 140 CO 0.00 0.00 1.17 -0.83 0.24 0.00 0.00 174.94 175.52 2kwb s GLY 141 N -3.51 2.33 0.10 6.27 0.00 -1.26 -1.89 107.32 109.36 2kwb s GLY 141 Ca 0.32 0.78 -0.33 0.00 0.00 0.00 0.00 44.72 45.48 2kwb s GLY 141 CO 0.15 1.16 1.58 -2.09 0.00 0.00 0.00 173.10 173.90 2kwb h GLU 142 N -0.02 -0.75 0.00 2.90 4.81 -1.88 -2.17 114.58 117.48 2kwb h GLU 142 Ca -0.48 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2kwb h GLU 142 Cb 1.28 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.83 2kwb h GLU 142 CO 0.52 -0.50 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 2kwb h ARG 143 N -0.78 0.00 -0.87 1.92 3.08 -1.94 -1.08 114.38 114.71 2kwb h ARG 143 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2kwb h ARG 143 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 2kwb h ARG 143 CO -0.18 0.00 0.52 0.00 -1.07 0.00 0.00 179.97 179.24 2kwb h ALA 144 N 2.04 1.11 0.00 0.04 0.00 -1.67 0.40 119.26 121.19 2kwb h ALA 144 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kwb h ALA 144 Cb 0.63 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kwb h ALA 144 CO 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.63 2kwb h ALA 145 N 1.28 0.89 0.00 0.00 0.00 -0.73 -3.18 119.26 117.52 2kwb h ALA 145 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2kwb h ALA 145 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kwb h ALA 145 CO -0.06 0.00 -1.06 1.49 0.00 0.00 0.00 179.25 179.62 2kwb h GLU 146 N 0.00 0.00 0.00 0.00 4.81 -0.70 -3.47 114.58 115.23 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 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2kwb h GLU 146 CO 0.00 0.27 0.00 0.41 -0.73 0.00 0.00 179.01 178.96 2kwb n GLY 147 N 1.30 -0.26 3.57 1.92 0.00 0.12 -5.04 105.19 106.80 2kwb n GLY 147 Ca -0.04 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 148 N -1.65 1.86 -1.02 4.61 0.00 -0.10 -4.80 121.76 120.66 2kwb s ALA 148 Ca 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.15 2kwb s ALA 148 Cb 0.00 -4.60 0.08 0.00 0.00 0.00 0.00 23.12 18.61 2kwb s ALA 148 CO 0.00 -4.79 1.05 -0.85 0.00 0.00 0.00 175.76 171.17 2kwb n GLU 149 N 8.66 0.00 -0.76 0.00 0.28 -1.25 -2.12 120.64 125.45 2kwb n GLU 149 Ca 0.41 0.46 -0.10 0.00 -0.16 0.00 0.00 57.16 57.77 2kwb n GLU 149 Cb 0.47 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.00 2kwb n GLU 149 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kwb n ASN 150 N -1.49 3.70 -4.63 -1.84 3.02 -1.26 -4.96 115.26 107.79 2kwb n ASN 150 Ca 0.00 -2.95 -0.42 0.00 -0.03 0.00 0.00 54.58 51.18 2kwb n ASN 150 Cb 0.02 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.46 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kwb s GLY 151 N -0.53 1.06 0.29 7.41 0.00 -0.90 -3.88 107.32 110.76 2kwb s GLY 151 Ca 0.38 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 2kwb s GLY 151 CO 0.08 3.60 1.62 -0.86 0.00 0.00 0.00 173.10 177.54 2kwb s GLN 152 N 5.24 4.11 -0.47 2.90 1.03 -1.26 -4.95 119.66 126.27 2kwb s GLN 152 Ca 0.93 2.60 -0.27 0.00 0.04 0.00 0.00 55.36 58.66 2kwb s GLN 152 Cb -0.38 -3.02 0.03 0.00 0.03 0.00 0.00 33.01 29.66 2kwb s GLN 152 CO 0.39 -0.66 1.02 0.08 -2.54 0.00 0.00 175.29 173.57 2kwb s VAL 153 N 0.13 4.36 -0.26 3.63 1.01 -1.26 -4.45 120.40 123.56 2kwb s VAL 153 Ca 0.65 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 2kwb s VAL 153 Cb -0.48 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.40 2kwb s VAL 153 CO 0.46 -0.92 1.00 0.00 0.00 0.00 0.00 175.10 175.65 2kwb s ALA 154 N 4.06 3.63 -0.31 5.51 0.00 0.61 -4.90 121.76 130.35 2kwb s ALA 154 Ca 0.41 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 2kwb s ALA 154 Cb -0.09 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2kwb s ALA 154 CO 0.29 -1.14 0.39 0.42 0.00 0.00 0.00 175.76 175.71 2kwb s ILE 155 N 3.24 5.15 -0.38 0.00 1.01 -1.07 -1.00 121.20 128.15 2kwb s ILE 155 Ca 0.42 0.29 -0.18 0.00 0.00 0.00 0.00 60.65 61.19 2kwb s ILE 155 Cb -0.14 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2kwb s ILE 155 CO 0.09 -0.01 0.50 -0.63 0.00 0.00 0.00 174.94 174.88 2kwb s ILE 156 N 2.09 5.02 0.21 2.92 -1.09 0.20 0.24 121.20 130.79 2kwb s ILE 156 Ca 0.14 0.12 0.06 0.00 -2.23 0.00 0.00 60.65 58.73 2kwb s ILE 156 Cb -0.16 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2kwb s ILE 156 CO 0.11 -0.31 0.17 -0.70 -1.23 0.00 0.00 174.94 172.98 2kwb s GLU 157 N 2.36 2.91 -0.52 2.79 2.12 -0.13 -2.43 118.70 125.79 2kwb s GLU 157 Ca 0.17 -0.96 -0.20 0.00 0.36 0.00 0.00 54.97 54.34 2kwb s GLU 157 Cb -0.16 -2.61 0.06 0.00 0.26 0.00 0.00 34.13 31.68 2kwb s GLU 157 CO 0.14 0.44 0.70 1.52 -0.54 0.00 0.00 175.26 177.52 2kwb s TYR 158 N -1.93 2.99 -0.06 5.30 1.13 -1.26 -0.18 117.35 123.34 2kwb s TYR 158 Ca 0.32 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.56 2kwb s TYR 158 Cb -0.09 -3.68 0.01 0.00 -1.10 0.00 0.00 41.96 37.10 2kwb s TYR 158 CO 0.24 -1.12 -0.15 1.03 -2.51 0.00 0.00 175.55 173.05 2kwb s ARG 159 N 2.93 1.77 0.15 -3.49 0.52 -0.68 -4.92 118.95 115.22 2kwb s ARG 159 Ca 0.18 -0.51 -0.18 0.00 -0.52 0.00 0.00 55.73 54.71 2kwb s ARG 159 Cb -0.18 -1.48 -0.07 0.00 0.52 0.00 0.00 34.95 33.74 2kwb s ARG 159 CO 0.13 0.12 0.62 0.16 0.02 0.00 0.00 175.30 176.35 2kwb s ASP 160 N 0.38 7.00 -0.49 0.23 -4.77 -1.26 -0.85 116.67 116.91 2kwb s ASP 160 Ca -0.10 1.27 -0.07 0.00 -3.30 0.00 0.00 52.55 50.35 2kwb s ASP 160 Cb -0.14 -2.36 0.13 0.00 -1.09 0.00 0.00 42.92 39.46 2kwb s ASP 160 CO 0.03 0.14 0.33 -0.69 0.70 0.00 0.00 175.17 175.69 2kwb s VAL 161 N -1.36 3.91 0.00 2.11 1.01 0.32 -4.71 120.40 121.68 2kwb s VAL 161 Ca 0.37 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2kwb s VAL 161 Cb -0.17 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2kwb s VAL 161 CO 0.20 -0.78 0.00 -0.67 0.00 0.00 0.00 175.10 173.85 2kwb n ASP 162 N 4.57 -4.08 0.00 3.32 2.03 -1.26 -2.54 116.55 118.59 2kwb n ASP 162 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2kwb n ASP 162 Cb 0.41 -2.98 0.00 0.00 -0.72 0.00 0.00 41.12 37.83 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 -0.10 1.02 3.43 0.27 0.00 -1.26 -5.12 105.19 103.43 2kwb n GLY 163 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.61 -0.13 2.61 2.01 -1.05 -5.04 115.64 118.65 2kwb s THR 164 Ca 0.00 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 2kwb s THR 164 Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2kwb s THR 164 CO 0.00 0.00 1.19 -1.83 -0.69 0.00 0.00 174.62 173.29 2kwb s GLU 165 N 1.60 4.30 0.09 4.92 -1.05 -1.26 -0.52 118.70 126.78 2kwb s GLU 165 Ca 0.04 1.60 0.07 0.00 -0.15 0.00 0.00 54.97 56.53 2kwb s GLU 165 Cb -0.17 -3.65 -0.03 0.00 -0.44 0.00 0.00 34.13 29.83 2kwb s GLU 165 CO 0.06 -0.56 -0.18 0.14 0.95 0.00 0.00 175.26 175.67 2kwb s VAL 166 N 2.82 1.49 -0.03 1.83 -7.23 -0.03 -4.90 120.40 114.36 2kwb s VAL 166 Ca 0.53 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 2kwb s VAL 166 Cb -0.22 -1.37 -0.06 0.00 0.56 0.00 0.00 36.38 35.29 2kwb s VAL 166 CO 0.17 -0.11 1.69 -2.84 -0.31 0.00 0.00 175.10 173.69 2kwb s PRO 167 N -1.82 4.18 -0.12 4.82 0.02 -1.26 -1.69 135.00 139.13 2kwb s PRO 167 Ca 0.03 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 2kwb s PRO 167 Cb -0.10 -3.95 -0.02 0.00 0.02 0.00 0.00 34.50 30.44 2kwb s PRO 167 CO 0.03 -0.84 -0.08 0.95 -0.33 0.00 0.00 177.00 176.74 2kwb s THR 168 N 3.89 3.54 0.05 0.99 -4.23 0.75 -1.11 115.64 119.51 2kwb s THR 168 Ca 0.75 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 60.46 2kwb s THR 168 Cb -0.35 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 2kwb s THR 168 CO 0.31 0.54 1.07 -0.22 -0.54 0.00 0.00 174.62 175.78 2kwb s LEU 169 N -0.04 4.39 -0.18 4.79 2.96 0.66 -0.96 118.68 130.32 2kwb s LEU 169 Ca -0.01 1.85 -0.02 0.00 -0.22 0.00 0.00 54.13 55.73 2kwb s LEU 169 Cb -0.14 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2kwb s LEU 169 CO 0.03 -0.32 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.61 2kwb s MET 170 N 0.80 3.37 -0.02 1.98 -1.94 0.14 -1.65 119.30 121.97 2kwb s MET 170 Ca 0.54 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.87 2kwb s MET 170 Cb -0.25 -2.82 0.01 0.00 2.01 0.00 0.00 34.83 33.78 2kwb s MET 170 CO 0.29 -0.01 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.74 2kwb s LEU 171 N 0.96 1.63 -0.18 -0.03 1.43 -0.93 -2.58 118.68 118.97 2kwb s LEU 171 Ca -0.01 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 2kwb s LEU 171 Cb -0.15 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 2kwb s LEU 171 CO -0.00 -0.01 0.44 -0.69 0.23 0.00 0.00 176.35 176.32 2kwb s VAL 172 N 0.42 5.18 -0.52 -1.59 1.01 -1.26 -0.33 120.40 123.31 2kwb s VAL 172 Ca -0.05 0.82 0.25 0.00 0.00 0.00 0.00 61.98 63.00 2kwb s VAL 172 Cb -0.08 -3.78 0.26 0.00 0.00 0.00 0.00 36.38 32.79 2kwb s VAL 172 CO -0.00 0.26 1.74 2.29 0.00 0.00 0.00 175.10 179.38 2kwb n LYS 173 N 4.32 0.22 0.00 2.72 2.85 -1.19 -1.60 118.16 125.48 2kwb n LYS 173 Ca -0.07 0.38 0.14 0.00 -1.05 0.00 0.00 58.31 57.71 2kwb n LYS 173 Cb 0.51 -1.87 0.53 0.00 -0.65 0.00 0.00 35.03 33.55 2kwb n LYS 173 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2kwb n GLU 174 N -2.28 1.18 -0.12 -1.58 4.71 -1.26 -4.02 120.64 117.27 2kwb n GLU 174 Ca 0.03 -0.61 -0.25 0.00 -0.01 0.00 0.00 57.16 56.32 2kwb n GLU 174 Cb 0.28 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.11 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kwb n ALA 175 N -0.38 1.17 -2.83 0.62 0.00 -0.63 -4.70 120.51 113.76 2kwb n ALA 175 Ca 0.16 -0.96 -0.34 0.00 0.00 0.00 0.00 53.44 52.30 2kwb n ALA 175 Cb 0.32 -0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.49 4.52 0.04 0.00 -4.36 -1.07 -2.40 121.20 115.43 2kwb s ILE 176 Ca -0.35 -0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 59.80 2kwb s ILE 176 Cb 0.11 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 2kwb s ILE 176 CO 0.56 0.50 0.36 0.27 0.24 0.00 0.00 174.94 176.88 2kwb s ILE 177 N 0.08 5.14 -0.29 8.37 -4.36 0.04 -4.60 121.20 125.57 2kwb s ILE 177 Ca 0.04 0.49 -0.17 0.00 -0.26 0.00 0.00 60.65 60.74 2kwb s ILE 177 Cb -0.13 -3.63 -0.02 0.00 1.25 0.00 0.00 42.46 39.93 2kwb s ILE 177 CO 0.01 0.39 0.45 -1.61 0.24 0.00 0.00 174.94 174.43 2kwb s GLU 178 N -1.63 3.89 -0.21 0.37 0.41 -1.26 -2.60 118.70 117.67 2kwb s GLU 178 Ca 0.29 0.03 0.01 0.00 -0.41 0.00 0.00 54.97 54.90 2kwb s GLU 178 Cb -0.14 -3.71 0.04 0.00 -1.78 0.00 0.00 34.13 28.54 2kwb s GLU 178 CO 0.16 -0.42 -0.11 -1.21 -0.49 0.00 0.00 175.26 173.19 2kwb s GLU 179 N 2.23 2.16 -0.19 1.61 2.02 -0.86 -5.04 118.70 120.63 2kwb s GLU 179 Ca 0.18 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 2kwb s GLU 179 Cb -0.16 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2kwb s GLU 179 CO 0.11 -0.44 -0.07 -1.59 0.02 0.00 0.00 175.26 173.29 2kwb s LYS 180 N 1.32 3.39 -0.54 1.61 -2.85 -1.26 -1.43 119.74 119.97 2kwb s LYS 180 Ca -0.02 -0.64 0.04 0.00 -1.00 0.00 0.00 55.97 54.35 2kwb s LYS 180 Cb -0.17 -2.90 0.14 0.00 -2.06 0.00 0.00 37.83 32.84 2kwb s LYS 180 CO -0.08 -0.07 0.31 0.00 0.10 0.00 0.00 175.35 175.60 2kwb s LEU 182 N -0.42 1.71 0.00 0.00 1.02 -1.26 -4.72 118.68 115.01 2kwb s LEU 182 Ca 0.19 -0.09 0.28 0.00 0.02 0.00 0.00 54.13 54.53 2kwb s LEU 182 Cb -0.21 -0.29 1.06 0.00 0.02 0.00 0.00 46.19 46.77 2kwb s LEU 182 CO -0.04 0.01 1.75 1.21 0.02 0.00 0.00 176.35 179.30