#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 4.27 -0.18 3.17 2.96 -0.43 -3.43 118.68 125.05 2kwb s LEU 2 Ca 0.00 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2kwb s LEU 2 Cb 0.00 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.30 2kwb s LEU 2 CO 0.00 0.12 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.35 2kwb s ILE 3 N 0.28 1.95 0.11 6.68 1.01 -1.00 0.35 121.20 130.57 2kwb s ILE 3 Ca 0.18 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.99 2kwb s ILE 3 Cb -0.13 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2kwb s ILE 3 CO 0.05 0.46 -0.18 -0.72 0.00 0.00 0.00 174.94 174.55 2kwb s TYR 4 N 1.32 2.53 -0.07 3.97 1.13 0.05 0.03 117.35 126.31 2kwb s TYR 4 Ca 0.04 -0.27 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 2kwb s TYR 4 Cb -0.14 -1.36 0.03 0.00 -1.10 0.00 0.00 41.96 39.40 2kwb s TYR 4 CO -0.12 0.36 0.03 0.21 -2.51 0.00 0.00 175.55 173.52 2kwb s LYS 5 N -2.03 0.37 1.12 -3.49 2.20 -0.90 -2.53 119.74 114.47 2kwb s LYS 5 Ca 0.17 0.16 -0.16 0.00 -0.36 0.00 0.00 55.97 55.78 2kwb s LYS 5 Cb -0.11 -0.93 0.25 0.00 -1.51 0.00 0.00 37.83 35.53 2kwb s LYS 5 CO 0.09 -0.35 1.09 -0.51 -0.36 0.00 0.00 175.35 175.31 2kwb s ASP 6 N 2.04 1.59 0.02 1.43 1.11 -1.26 -0.92 116.67 120.67 2kwb s ASP 6 Ca 0.05 0.95 -0.12 0.00 0.18 0.00 0.00 52.55 53.61 2kwb s ASP 6 Cb -0.13 -1.44 -0.33 0.00 1.07 0.00 0.00 42.92 42.09 2kwb s ASP 6 CO -0.05 -3.75 0.95 0.40 1.18 0.00 0.00 175.17 173.91 2kwb h ILE 7 N -2.32 1.24 0.00 0.77 2.04 -1.61 -3.37 117.51 114.27 2kwb h ILE 7 Ca -0.51 -2.73 -0.24 0.00 1.00 0.00 0.00 64.86 62.37 2kwb h ILE 7 Cb 1.32 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 40.31 2kwb h ILE 7 CO 0.47 0.83 -1.86 0.49 0.00 0.00 0.00 178.15 178.08 2kwb n PHE 8 N -3.64 0.00 0.29 1.37 3.72 -1.26 -4.64 117.46 113.29 2kwb n PHE 8 Ca -0.17 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.29 2kwb n PHE 8 Cb 1.08 -0.57 0.21 0.00 -0.94 0.00 0.00 39.48 39.27 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 -3.26 1.05 0.10 4.37 -1.04 -1.26 -4.46 114.28 109.77 2kwb n THR 9 Ca -0.28 -0.69 0.02 0.00 -2.04 0.00 0.00 64.05 61.06 2kwb n THR 9 Cb 0.75 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.37 2kwb n THR 9 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kwb n ASP 10 N 0.60 0.06 0.12 8.00 5.75 -1.26 -1.08 116.55 128.74 2kwb n ASP 10 Ca 0.15 0.52 0.18 0.00 -0.01 0.00 0.00 54.79 55.64 2kwb n ASP 10 Cb 0.56 -0.53 0.75 0.00 -1.03 0.00 0.00 41.12 40.87 2kwb n ASP 10 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kwb h ASP 11 N 0.00 0.00 -0.52 -1.12 5.19 -1.93 0.75 116.42 118.79 2kwb h ASP 11 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 2kwb h ASP 11 Cb 0.05 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.46 2kwb h ASP 11 CO 0.00 0.00 0.21 -0.62 -3.12 0.00 0.00 179.24 175.71 2kwb n GLU 12 N -4.05 2.78 -0.90 3.56 -0.58 -0.24 -4.99 120.64 116.22 2kwb n GLU 12 Ca 0.05 -2.06 -0.41 0.00 -0.42 0.00 0.00 57.16 54.31 2kwb n GLU 12 Cb 0.44 -1.91 -0.09 0.00 -0.57 0.00 0.00 31.44 29.32 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 -0.06 0.50 -4.51 -4.62 7.94 0.25 -4.89 117.00 111.62 2kwb n LEU 13 Ca 0.29 0.45 -0.33 0.00 -1.11 0.00 0.00 56.01 55.31 2kwb n LEU 13 Cb 1.08 -0.64 -0.12 0.00 0.53 0.00 0.00 43.42 44.27 2kwb n LEU 13 CO 0.31 -0.54 -0.43 -0.44 -1.11 0.00 0.00 177.39 175.17 2kwb s SER 14 N 4.43 4.20 -0.37 1.96 0.01 -1.05 -4.97 113.70 117.90 2kwb s SER 14 Ca 0.86 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.90 2kwb s SER 14 Cb -1.05 -0.92 0.07 0.00 0.21 0.00 0.00 66.02 64.34 2kwb s SER 14 CO 0.46 0.34 0.16 -0.94 0.41 0.00 0.00 173.24 173.66 2kwb s SER 15 N -0.86 5.30 0.50 2.44 1.04 -1.26 -0.77 113.70 120.09 2kwb s SER 15 Ca 0.12 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 55.03 2kwb s SER 15 Cb -0.11 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 2kwb s SER 15 CO 0.02 -0.44 0.05 -0.62 0.98 0.00 0.00 173.24 173.22 2kwb s ASP 16 N 1.71 3.80 -0.09 7.02 2.15 0.15 -4.90 116.67 126.51 2kwb s ASP 16 Ca 0.02 -1.72 0.10 0.00 0.43 0.00 0.00 52.55 51.38 2kwb s ASP 16 Cb -0.22 0.67 -0.14 0.00 -0.30 0.00 0.00 42.92 42.93 2kwb s ASP 16 CO -0.00 -0.95 0.07 -0.24 -0.17 0.00 0.00 175.17 173.88 2kwb n SER 17 N -1.37 2.31 -4.65 -0.34 2.88 -1.26 -1.31 113.62 109.88 2kwb n SER 17 Ca -0.17 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.94 2kwb n SER 17 Cb 0.66 0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 64.97 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2kwb s PHE 18 N -2.34 1.87 0.27 0.66 0.08 -1.26 -4.87 117.98 112.39 2kwb s PHE 18 Ca -0.05 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.13 2kwb s PHE 18 Cb 0.04 -3.97 -0.06 0.00 -0.57 0.00 0.00 43.02 38.46 2kwb s PHE 18 CO 0.45 -3.89 0.57 -1.25 -0.10 0.00 0.00 175.22 171.00 2kwb s PRO 19 N 4.37 3.71 0.35 0.24 0.04 -1.26 -5.04 135.00 137.41 2kwb s PRO 19 Ca 0.76 0.15 0.08 0.00 0.04 0.00 0.00 61.00 62.04 2kwb s PRO 19 Cb -0.33 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 2kwb s PRO 19 CO 0.31 0.23 0.07 -1.64 0.04 0.00 0.00 177.00 176.02 2kwb s MET 20 N -3.29 2.18 -0.27 4.56 -1.94 -1.26 -5.09 119.30 114.19 2kwb s MET 20 Ca 0.46 -1.72 -0.11 0.00 -1.71 0.00 0.00 55.69 52.61 2kwb s MET 20 Cb -0.11 -2.00 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 2kwb s MET 20 CO 0.27 0.09 0.19 0.15 -0.01 0.00 0.00 175.02 175.70 2kwb s LYS 21 N -3.78 3.97 -0.22 2.03 1.02 -1.25 -4.99 119.74 116.52 2kwb s LYS 21 Ca 0.36 -0.31 -0.26 0.00 0.02 0.00 0.00 55.97 55.78 2kwb s LYS 21 Cb 0.00 -3.64 -0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2kwb s LYS 21 CO 0.21 -0.15 0.89 -1.17 -0.92 0.00 0.00 175.35 174.21 2kwb s LEU 22 N 1.66 4.11 0.12 3.17 2.96 -1.26 -0.31 118.68 129.12 2kwb s LEU 22 Ca 0.07 1.17 0.11 0.00 -0.22 0.00 0.00 54.13 55.26 2kwb s LEU 22 Cb -0.16 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2kwb s LEU 22 CO 0.10 -0.53 -0.26 0.54 -1.32 0.00 0.00 176.35 174.88 2kwb s VAL 23 N 2.77 2.28 0.00 1.68 0.11 0.77 -4.68 120.40 123.33 2kwb s VAL 23 Ca 0.38 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 2kwb s VAL 23 Cb -0.16 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 2kwb s VAL 23 CO 0.08 0.14 0.00 -0.67 -3.33 0.00 0.00 175.10 171.32 2kwb n ASP 24 N 1.04 -5.08 -1.79 3.54 2.03 -1.26 -2.22 116.55 112.81 2kwb n ASP 24 Ca -0.18 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.97 2kwb n ASP 24 Cb 0.53 -3.00 -0.05 0.00 -0.72 0.00 0.00 41.12 37.88 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 -0.78 -4.36 0.00 1.67 8.00 -1.26 -4.71 116.55 115.11 2kwb n ASP 25 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2kwb n ASP 25 Cb 0.39 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.63 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 -2.34 0.59 -4.17 0.64 7.94 -0.97 -5.01 117.00 113.69 2kwb n LEU 26 Ca -0.17 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.59 2kwb n LEU 26 Cb 0.56 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.40 2kwb n LEU 26 CO 0.23 -0.02 -0.41 0.68 -1.11 0.00 0.00 177.39 176.76 2kwb s VAL 27 N -1.52 0.91 0.18 1.96 -7.23 -0.94 -1.56 120.40 112.20 2kwb s VAL 27 Ca 0.00 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.44 2kwb s VAL 27 Cb 0.00 -1.37 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 2kwb s VAL 27 CO 0.00 -0.58 0.47 -0.31 -0.31 0.00 0.00 175.10 174.37 2kwb s TYR 28 N -2.51 3.47 -0.11 2.82 2.02 0.96 -0.16 117.35 123.83 2kwb s TYR 28 Ca 0.06 0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 57.49 2kwb s TYR 28 Cb -0.02 -2.16 0.04 0.00 -0.40 0.00 0.00 41.96 39.42 2kwb s TYR 28 CO -0.00 0.36 0.03 -2.00 -1.57 0.00 0.00 175.55 172.37 2kwb s GLU 29 N -2.63 0.46 -0.16 -0.62 -6.30 0.58 -2.25 118.70 107.78 2kwb s GLU 29 Ca 0.43 -0.00 -0.11 0.00 -2.50 0.00 0.00 54.97 52.79 2kwb s GLU 29 Cb -0.12 -1.28 0.05 0.00 0.00 0.00 0.00 34.13 32.78 2kwb s GLU 29 CO 0.22 -0.43 0.40 -0.59 0.02 0.00 0.00 175.26 174.88 2kwb s PHE 30 N 1.99 -0.52 -0.27 5.30 -0.71 -1.00 -3.90 117.98 118.87 2kwb s PHE 30 Ca 0.03 1.17 -0.12 0.00 -1.04 0.00 0.00 56.93 56.97 2kwb s PHE 30 Cb -0.14 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 2kwb s PHE 30 CO -0.06 -0.28 0.23 0.21 -1.34 0.00 0.00 175.22 173.98 2kwb s LYS 31 N 0.85 3.99 0.00 1.99 2.36 -1.26 -0.05 119.74 127.62 2kwb s LYS 31 Ca -0.05 -0.22 0.00 0.00 -2.55 0.00 0.00 55.97 53.15 2kwb s LYS 31 Cb -0.06 -3.64 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 2kwb s LYS 31 CO -0.07 -0.17 0.00 0.41 1.55 0.00 0.00 175.35 177.08 2kwb n GLY 32 N 4.84 0.86 3.27 5.54 0.00 -1.26 -5.03 105.19 113.41 2kwb n GLY 32 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2kwb n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s LYS 33 N 0.14 0.48 -0.54 1.61 -2.85 -1.26 -4.98 119.74 112.35 2kwb s LYS 33 Ca 0.00 0.44 -0.28 0.00 -1.00 0.00 0.00 55.97 55.12 2kwb s LYS 33 Cb 0.00 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2kwb s LYS 33 CO 0.00 -0.07 1.32 -1.58 0.10 0.00 0.00 175.35 175.11 2kwb s HIS 34 N -0.01 2.45 0.24 1.78 5.65 -1.26 -1.86 115.29 122.27 2kwb s HIS 34 Ca -0.02 0.50 -0.03 0.00 0.25 0.00 0.00 55.06 55.76 2kwb s HIS 34 Cb -0.03 -4.43 -0.03 0.00 -1.18 0.00 0.00 32.58 26.91 2kwb s HIS 34 CO 0.01 -1.79 0.26 0.14 -0.65 0.00 0.00 174.74 172.71 2kwb s VAL 35 N 5.48 0.00 -0.04 0.89 -7.23 -0.54 -5.01 120.40 113.96 2kwb s VAL 35 Ca 0.50 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2kwb s VAL 35 Cb -0.10 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2kwb s VAL 35 CO 0.27 0.00 -0.01 0.68 -0.31 0.00 0.00 175.10 175.73 2kwb s VAL 36 N -3.93 0.26 -0.34 1.32 -7.23 -1.26 -1.63 120.40 107.59 2kwb s VAL 36 Ca 0.35 0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.48 2kwb s VAL 36 Cb 0.04 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.64 2kwb s VAL 36 CO 0.14 0.17 0.18 -0.60 -0.31 0.00 0.00 175.10 174.68 2kwb s ARG 37 N 1.14 3.15 0.20 4.82 3.52 -0.16 -4.27 118.95 127.35 2kwb s ARG 37 Ca -0.08 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.69 2kwb s ARG 37 Cb -0.14 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 2kwb s ARG 37 CO -0.02 -0.53 0.35 0.21 -0.81 0.00 0.00 175.30 174.50 2kwb s LYS 38 N 1.60 3.46 0.11 5.12 2.20 -0.85 -1.20 119.74 130.16 2kwb s LYS 38 Ca 0.04 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 2kwb s LYS 38 Cb -0.18 -2.90 0.42 0.00 -1.51 0.00 0.00 37.83 33.66 2kwb s LYS 38 CO 0.07 0.44 1.24 -0.85 -0.36 0.00 0.00 175.35 175.89 2kwb n GLU 39 N -0.96 0.05 -0.03 4.03 0.00 -1.26 -3.10 120.64 119.37 2kwb n GLU 39 Ca -0.07 0.53 -0.08 0.00 0.00 0.00 0.00 57.16 57.54 2kwb n GLU 39 Cb 0.55 -1.65 -0.03 0.00 0.00 0.00 0.00 31.44 30.31 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kwb n GLY 40 N -1.35 -0.21 1.31 -1.84 0.00 -1.26 -5.14 105.19 96.71 2kwb n GLY 40 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 2kwb n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kwb n GLU 41 N -3.69 0.29 -3.69 1.61 -0.00 -1.18 -5.14 120.64 108.84 2kwb n GLU 41 Ca -0.14 -1.04 -0.39 0.00 -0.00 0.00 0.00 57.16 55.60 2kwb n GLU 41 Cb 0.43 1.04 -0.12 0.00 -0.00 0.00 0.00 31.44 32.79 2kwb n GLU 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2kwb s ILE 42 N -2.59 4.03 -0.04 3.84 2.07 -1.26 -2.01 121.20 125.24 2kwb s ILE 42 Ca 0.10 -1.12 -0.00 0.00 -1.41 0.00 0.00 60.65 58.22 2kwb s ILE 42 Cb -0.01 -3.31 -0.00 0.00 0.13 0.00 0.00 42.46 39.27 2kwb s ILE 42 CO 0.07 -0.25 0.04 1.62 -1.91 0.00 0.00 174.94 174.52 2kwb h VAL 43 N 6.09 0.00 -5.16 4.00 3.04 -1.98 -3.50 116.25 118.74 2kwb h VAL 43 Ca -0.23 -0.36 0.01 0.00 -1.01 0.00 0.00 66.70 65.10 2kwb h VAL 43 Cb 1.09 0.00 -0.11 0.00 -2.01 0.00 0.00 31.29 30.26 2kwb h VAL 43 CO 0.64 0.00 -1.39 0.18 -1.01 0.00 0.00 177.57 175.99 2kwb n LEU 44 N -3.04 -6.19 -0.01 3.16 4.32 -1.26 -4.99 117.00 108.98 2kwb n LEU 44 Ca -0.00 2.08 0.07 0.00 -0.02 0.00 0.00 56.01 58.14 2kwb n LEU 44 Cb 0.01 -3.11 -0.13 0.00 -1.62 0.00 0.00 43.42 38.56 2kwb n LEU 44 CO 0.01 -3.84 -0.71 0.00 -1.22 0.00 0.00 177.39 171.62 2kwb n ALA 45 N 1.69 2.56 -0.27 -1.18 0.00 -1.26 -5.10 120.51 116.94 2kwb n ALA 45 Ca -0.34 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2kwb n ALA 45 Cb 0.53 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2kwb n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kwb n GLY 46 N 1.59 -1.05 2.94 0.00 0.00 -1.26 -5.11 105.19 102.29 2kwb n GLY 46 Ca -0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 2kwb n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kwb s SER 47 N 0.00 0.33 0.07 1.61 0.01 -1.26 -5.16 113.70 109.30 2kwb s SER 47 Ca 0.00 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 2kwb s SER 47 Cb 0.00 1.03 -0.05 0.00 0.21 0.00 0.00 66.02 67.21 2kwb s SER 47 CO 0.00 -0.29 0.27 0.20 0.41 0.00 0.00 173.24 173.83 2kwb s ASN 48 N 2.52 6.43 -0.55 2.44 0.01 -1.26 -5.03 114.94 119.50 2kwb s ASN 48 Ca 0.10 0.43 -0.26 0.00 -0.71 0.00 0.00 52.86 52.42 2kwb s ASN 48 Cb -0.15 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 2kwb s ASN 48 CO -0.15 0.16 2.06 -2.16 -1.51 0.00 0.00 177.10 175.50 2kwb s PRO 49 N -2.36 2.48 -0.19 -0.60 0.04 -1.26 -4.84 135.00 128.28 2kwb s PRO 49 Ca 0.35 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.41 2kwb s PRO 49 Cb -0.13 -4.45 0.45 0.00 0.04 0.00 0.00 34.50 30.42 2kwb s PRO 49 CO 0.24 -2.87 1.35 0.43 0.04 0.00 0.00 177.00 176.19 2kwb n SER 50 N 13.73 3.67 -3.64 6.66 7.64 -1.26 -4.84 113.62 135.58 2kwb n SER 50 Ca 0.26 -2.70 -0.06 0.00 1.01 0.00 0.00 58.87 57.39 2kwb n SER 50 Cb 0.53 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 2kwb n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kwb s ALA 51 N -2.00 -2.05 -0.06 -0.43 0.00 -1.26 -5.01 121.76 110.95 2kwb s ALA 51 Ca 0.33 2.20 -0.02 0.00 0.00 0.00 0.00 51.96 54.46 2kwb s ALA 51 Cb 0.26 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 2kwb s ALA 51 CO 0.08 -0.34 -0.04 1.49 0.00 0.00 0.00 175.76 176.96 2kwb h GLU 52 N 5.91 0.00 0.00 0.00 4.57 -2.01 -3.38 114.58 119.67 2kwb h GLU 52 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2kwb h GLU 52 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2kwb h GLU 52 CO 0.15 0.00 -0.03 0.39 -1.18 0.00 0.00 179.01 178.35 2kwb n GLU 53 N -3.34 0.08 0.00 1.92 1.02 -1.26 -3.06 120.64 115.99 2kwb n GLU 53 Ca -0.02 0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.27 2kwb n GLU 53 Cb 0.06 -1.59 0.49 0.00 -0.02 0.00 0.00 31.44 30.38 2kwb n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kwb n GLY 54 N 1.44 -0.93 3.57 0.62 0.00 -1.26 -4.64 105.19 104.00 2kwb n GLY 54 Ca 0.06 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.15 -0.19 4.61 0.00 -1.17 -4.70 121.76 120.47 2kwb s ALA 55 Ca 0.25 -2.12 -0.20 0.00 0.00 0.00 0.00 51.96 49.89 2kwb s ALA 55 Cb 0.11 -4.62 -0.21 0.00 0.00 0.00 0.00 23.12 18.41 2kwb s ALA 55 CO 0.19 -4.56 0.29 1.49 0.00 0.00 0.00 175.76 173.17 2kwb h GLU 56 N 9.79 0.05 -4.55 0.00 4.81 -1.92 -3.49 114.58 119.27 2kwb h GLU 56 Ca 0.22 -0.09 -0.38 0.00 -0.13 0.00 0.00 59.36 58.99 2kwb h GLU 56 Cb 0.95 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2kwb h GLU 56 CO 1.29 1.04 -0.55 -0.25 -0.73 0.00 0.00 179.01 179.81 2kwb n ASP 57 N -4.29 -5.14 -0.02 1.04 8.00 -1.26 -4.87 116.55 110.00 2kwb n ASP 57 Ca -0.30 -0.24 -0.13 0.00 0.71 0.00 0.00 54.79 54.83 2kwb n ASP 57 Cb 0.73 -4.21 -0.14 0.00 -0.02 0.00 0.00 41.12 37.48 2kwb n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kwb n ASP 58 N -2.33 1.22 -3.54 -2.24 -0.08 -1.26 -4.61 116.55 103.71 2kwb n ASP 58 Ca -0.10 0.31 -0.39 0.00 -1.51 0.00 0.00 54.79 53.10 2kwb n ASP 58 Cb 0.60 -0.24 -0.02 0.00 2.34 0.00 0.00 41.12 43.80 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kwb n GLY 59 N 1.72 3.66 3.26 0.27 0.00 -1.26 -4.86 105.19 107.97 2kwb n GLY 59 Ca -0.23 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 60 N 3.58 5.36 0.00 1.61 1.04 -1.26 -4.87 113.70 119.17 2kwb s SER 60 Ca 0.53 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2kwb s SER 60 Cb 0.14 -1.88 0.02 0.00 0.10 0.00 0.00 66.02 64.40 2kwb s SER 60 CO -0.02 -0.39 0.76 -0.90 0.98 0.00 0.00 173.24 173.68 2kwb n ASP 61 N 4.81 -0.33 -4.48 7.02 5.75 -1.26 -5.11 116.55 122.95 2kwb n ASP 61 Ca -0.11 -1.50 -0.38 0.00 -0.01 0.00 0.00 54.79 52.79 2kwb n ASP 61 Cb 0.44 0.08 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kwb s GLU 62 N 0.00 3.56 -1.10 0.11 8.01 -1.26 -5.00 118.70 123.02 2kwb s GLU 62 Ca 0.02 -0.57 -0.14 0.00 0.01 0.00 0.00 54.97 54.28 2kwb s GLU 62 Cb 0.02 -3.56 -0.07 0.00 -4.31 0.00 0.00 34.13 26.20 2kwb s GLU 62 CO -0.01 -0.32 2.20 0.72 0.01 0.00 0.00 175.26 177.86 2kwb n HIS 63 N 5.00 2.23 -4.65 1.61 8.25 -1.26 -4.85 115.22 121.56 2kwb n HIS 63 Ca -0.14 -2.32 -0.23 0.00 -0.26 0.00 0.00 57.72 54.76 2kwb n HIS 63 Cb 0.50 -2.02 -0.16 0.00 1.12 0.00 0.00 29.99 29.43 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kwb s VAL 64 N 3.74 1.14 -1.21 1.59 1.01 -1.26 -4.75 120.40 120.66 2kwb s VAL 64 Ca 0.52 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 2kwb s VAL 64 Cb 0.14 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2kwb s VAL 64 CO 0.00 0.33 2.04 -0.62 0.00 0.00 0.00 175.10 176.86 2kwb n GLU 65 N 3.09 2.40 -3.00 2.72 1.02 -0.34 -4.91 120.64 121.62 2kwb n GLU 65 Ca -0.17 -2.47 -0.38 0.00 -0.02 0.00 0.00 57.16 54.12 2kwb n GLU 65 Cb 0.54 -3.25 -0.06 0.00 -0.02 0.00 0.00 31.44 28.65 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kwb s ARG 66 N 4.17 4.44 0.00 3.49 1.70 -1.26 -0.98 118.95 130.50 2kwb s ARG 66 Ca 0.53 1.07 0.00 0.00 -0.47 0.00 0.00 55.73 56.86 2kwb s ARG 66 Cb 0.11 -3.03 0.00 0.00 -0.57 0.00 0.00 34.95 31.46 2kwb s ARG 66 CO 0.02 0.45 0.00 0.41 -1.08 0.00 0.00 175.30 175.10 2kwb n GLY 67 N 1.07 -0.17 3.58 3.88 0.00 -0.64 -4.99 105.19 107.92 2kwb n GLY 67 Ca -0.03 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.51 3.59 0.32 -0.61 -4.36 -1.26 -1.47 121.20 113.90 2kwb s ILE 68 Ca 0.00 -0.67 0.09 0.00 -0.26 0.00 0.00 60.65 59.81 2kwb s ILE 68 Cb 0.00 -2.51 0.33 0.00 1.25 0.00 0.00 42.46 41.53 2kwb s ILE 68 CO 0.00 0.49 1.64 -0.78 0.24 0.00 0.00 174.94 176.53 2kwb h ASP 69 N 4.88 0.18 -0.53 4.36 3.58 -1.69 -1.05 116.42 126.16 2kwb h ASP 69 Ca -0.48 0.21 0.10 0.00 0.42 0.00 0.00 57.03 57.28 2kwb h ASP 69 Cb 1.17 0.24 -0.11 0.00 1.72 0.00 0.00 39.33 42.35 2kwb h ASP 69 CO 0.53 -0.20 -0.24 0.40 -2.88 0.00 0.00 179.24 176.85 2kwb h ILE 70 N 0.21 0.30 0.11 2.25 2.04 -1.96 -1.97 117.51 118.50 2kwb h ILE 70 Ca 0.66 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 66.22 2kwb h ILE 70 Cb 1.45 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2kwb h ILE 70 CO -0.67 0.00 -1.44 -0.37 0.00 0.00 0.00 178.15 175.67 2kwb h VAL 71 N -0.12 1.25 -0.48 1.67 -1.51 -1.59 -3.33 116.25 112.15 2kwb h VAL 71 Ca 0.24 -2.89 -0.02 0.00 -1.23 0.00 0.00 66.70 62.79 2kwb h VAL 71 Cb 0.49 2.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.42 2kwb h VAL 71 CO -0.60 0.83 0.21 -0.07 -1.23 0.00 0.00 177.57 176.71 2kwb h LEU 72 N 0.06 0.64 -1.57 4.19 3.38 -1.12 0.26 115.31 121.15 2kwb h LEU 72 Ca -0.20 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2kwb h LEU 72 Cb 1.99 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2kwb h LEU 72 CO 0.17 0.62 0.00 0.78 0.09 0.00 0.00 178.44 180.09 2kwb h ASN 73 N 0.63 0.00 -0.24 -0.43 2.35 -1.51 -2.03 115.58 114.35 2kwb h ASN 73 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2kwb h ASN 73 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2kwb h ASN 73 CO -0.02 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.17 2kwb n HIS 74 N -2.84 0.31 -3.79 1.19 8.25 -0.86 -5.01 115.22 112.48 2kwb n HIS 74 Ca 0.00 -0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 56.85 2kwb n HIS 74 Cb 0.23 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 0.50 -3.31 -3.27 -0.41 5.02 0.75 -4.63 118.16 112.81 2kwb n LYS 75 Ca 0.10 0.50 -0.38 0.00 -2.02 0.00 0.00 58.31 56.50 2kwb n LYS 75 Cb 0.37 -4.67 -0.06 0.00 -0.02 0.00 0.00 35.03 30.65 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwb s LEU 76 N -6.72 4.24 0.14 -0.35 1.43 -0.29 -3.40 118.68 113.73 2kwb s LEU 76 Ca 0.12 0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 2kwb s LEU 76 Cb -0.04 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.39 2kwb s LEU 76 CO 0.85 -0.07 0.45 0.54 0.23 0.00 0.00 176.35 178.36 2kwb s VAL 77 N 0.96 5.04 -0.03 -1.59 0.11 -0.59 -4.78 120.40 119.53 2kwb s VAL 77 Ca 0.26 0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 59.60 2kwb s VAL 77 Cb -0.15 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2kwb s VAL 77 CO 0.11 0.14 0.34 -1.83 -3.33 0.00 0.00 175.10 170.53 2kwb s GLU 78 N -2.29 3.79 0.19 1.54 1.03 -1.26 -1.16 118.70 120.54 2kwb s GLU 78 Ca 0.39 0.26 0.01 0.00 0.03 0.00 0.00 54.97 55.66 2kwb s GLU 78 Cb -0.13 -3.20 -0.05 0.00 -0.80 0.00 0.00 34.13 29.95 2kwb s GLU 78 CO 0.20 0.71 0.03 -1.64 -1.33 0.00 0.00 175.26 173.24 2kwb s MET 79 N -1.10 1.17 0.03 -4.83 -1.94 0.68 -4.98 119.30 108.33 2kwb s MET 79 Ca 0.22 -1.59 0.03 0.00 -1.71 0.00 0.00 55.69 52.64 2kwb s MET 79 Cb -0.15 -0.20 -0.02 0.00 2.01 0.00 0.00 34.83 36.47 2kwb s MET 79 CO 0.11 -0.19 -0.10 1.21 -0.01 0.00 0.00 175.02 176.04 2kwb s ASN 80 N -3.20 1.18 0.55 3.03 2.47 -1.26 -1.98 114.94 115.72 2kwb s ASN 80 Ca 0.28 -0.39 0.46 0.00 0.42 0.00 0.00 52.86 53.63 2kwb s ASN 80 Cb 0.07 -0.06 1.68 0.00 -1.45 0.00 0.00 41.25 41.49 2kwb s ASN 80 CO 0.06 -0.02 1.63 0.00 -3.72 0.00 0.00 177.10 175.05 2kwb h TYR 82 N 0.01 0.28 0.00 0.00 -0.00 -1.96 0.92 116.97 116.22 2kwb h TYR 82 Ca 0.85 0.01 -0.35 0.00 -0.00 0.00 0.00 58.73 59.23 2kwb h TYR 82 Cb 3.35 -0.10 -0.07 0.00 -0.00 0.00 0.00 36.73 39.91 2kwb h TYR 82 CO -0.00 0.18 -2.31 -0.85 -0.00 0.00 0.00 178.16 175.18 2kwb n GLU 83 N -4.50 0.86 0.06 0.10 0.28 0.09 -4.37 120.64 113.17 2kwb n GLU 83 Ca 0.00 0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.12 2kwb n GLU 83 Cb 0.08 -1.49 0.42 0.00 1.43 0.00 0.00 31.44 31.88 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kwb n ASP 84 N -2.77 0.35 0.00 -1.84 9.92 -1.04 -4.54 116.55 116.64 2kwb n ASP 84 Ca -0.32 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 2kwb n ASP 84 Cb 1.10 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kwb n ALA 85 N -1.64 0.00 0.23 2.24 0.00 0.30 -0.08 120.51 121.56 2kwb n ALA 85 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2kwb n ALA 85 Cb 0.23 0.23 0.51 0.00 0.00 0.00 0.00 19.45 20.42 2kwb n ALA 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kwb h SER 86 N 0.00 0.00 0.37 0.00 0.02 -1.88 -2.72 113.55 109.34 2kwb h SER 86 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kwb h SER 86 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kwb h SER 86 CO 0.00 0.18 -0.18 -0.03 -1.14 0.00 0.00 176.83 175.66 2kwb h MET 87 N 0.00 -0.47 0.00 3.45 -1.53 -0.77 -2.21 114.93 113.40 2kwb h MET 87 Ca -0.00 0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.26 2kwb h MET 87 Cb 0.69 0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 31.84 2kwb h MET 87 CO 0.02 -0.18 -0.16 0.27 0.14 0.00 0.00 176.91 177.00 2kwb h PHE 88 N -1.00 0.00 -0.67 1.39 -5.15 -0.81 -0.33 116.94 110.37 2kwb h PHE 88 Ca -0.05 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.70 2kwb h PHE 88 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.65 2kwb h PHE 88 CO 0.03 0.16 0.33 -0.22 -2.00 0.00 0.00 178.31 176.60 2kwb h LYS 89 N 0.00 0.96 -0.26 6.09 3.64 -1.49 0.92 116.57 126.43 2kwb h LYS 89 Ca -0.00 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 2kwb h LYS 89 Cb 0.38 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2kwb h LYS 89 CO 0.02 0.76 -0.38 0.00 -2.27 0.00 0.00 179.45 177.58 2kwb h ALA 90 N 1.15 0.85 0.45 5.00 0.00 -0.57 -2.41 119.26 123.74 2kwb h ALA 90 Ca 0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kwb h ALA 90 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kwb h ALA 90 CO -0.03 0.64 -0.22 -0.92 0.00 0.00 0.00 179.25 178.72 2kwb h TYR 91 N 0.50 -0.56 0.00 0.00 3.20 -0.83 -2.55 116.97 116.73 2kwb h TYR 91 Ca 0.05 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2kwb h TYR 91 Cb 0.88 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 2kwb h TYR 91 CO 0.04 -0.27 -0.03 0.97 -1.64 0.00 0.00 178.16 177.23 2kwb h ILE 92 N -0.76 0.97 0.82 1.81 6.09 -0.87 0.22 117.51 125.79 2kwb h ILE 92 Ca -0.06 -0.10 -0.04 0.00 -1.37 0.00 0.00 64.86 63.29 2kwb h ILE 92 Cb 0.54 1.05 0.01 0.00 0.47 0.00 0.00 36.82 38.89 2kwb h ILE 92 CO 0.10 0.03 -0.42 0.50 -3.07 0.00 0.00 178.15 175.29 2kwb h LYS 93 N 0.00 -1.10 -0.30 2.19 3.64 -1.33 -0.01 116.57 119.66 2kwb h LYS 93 Ca -0.00 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2kwb h LYS 93 Cb 0.05 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2kwb h LYS 93 CO 0.00 -0.73 -0.06 0.87 -2.27 0.00 0.00 179.45 177.26 2kwb h LYS 94 N -1.14 0.48 0.08 1.90 1.57 -1.01 -2.79 116.57 115.66 2kwb h LYS 94 Ca -0.11 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2kwb h LYS 94 Cb 0.88 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2kwb h LYS 94 CO 0.17 0.56 -0.21 0.35 -0.57 0.00 0.00 179.45 179.75 2kwb h PHE 95 N 0.46 -0.55 -0.59 -1.35 3.57 -0.47 -1.80 116.94 116.21 2kwb h PHE 95 Ca 0.09 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.71 2kwb h PHE 95 Cb 0.40 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 2kwb h PHE 95 CO 0.01 -0.30 0.15 1.98 -2.23 0.00 0.00 178.31 177.92 2kwb h MET 96 N -0.38 0.28 0.24 1.11 4.05 -0.78 -0.55 114.93 118.89 2kwb h MET 96 Ca 0.03 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2kwb h MET 96 Cb 0.41 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 2kwb h MET 96 CO -0.14 0.18 -0.50 0.87 0.23 0.00 0.00 176.91 177.56 2kwb h LYS 97 N 0.29 -0.78 -0.34 0.39 1.57 -1.23 -2.79 116.57 113.68 2kwb h LYS 97 Ca 0.31 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 2kwb h LYS 97 Cb 0.44 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2kwb h LYS 97 CO -0.37 -0.52 -0.15 -0.97 -0.57 0.00 0.00 179.45 176.87 2kwb h ASN 98 N -0.81 0.71 -0.37 0.86 -0.73 -0.91 -1.62 115.58 112.72 2kwb h ASN 98 Ca -0.02 -0.40 -0.03 0.00 1.87 0.00 0.00 56.30 57.72 2kwb h ASN 98 Cb 0.78 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 2kwb h ASN 98 CO -0.21 0.96 0.11 -0.37 -0.37 0.00 0.00 177.43 177.55 2kwb h VAL 99 N 0.47 1.21 -0.31 2.57 -1.51 -1.15 0.37 116.25 117.90 2kwb h VAL 99 Ca 0.08 -0.70 -0.13 0.00 -1.23 0.00 0.00 66.70 64.71 2kwb h VAL 99 Cb 0.68 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 2kwb h VAL 99 CO 0.05 0.24 -0.34 0.40 -1.23 0.00 0.00 177.57 176.69 2kwb h ILE 100 N 0.45 1.28 -0.43 7.19 1.08 -1.54 -0.97 117.51 124.57 2kwb h ILE 100 Ca 0.12 -1.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.10 2kwb h ILE 100 Cb 0.26 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 2kwb h ILE 100 CO -0.00 0.49 0.28 -0.78 -0.69 0.00 0.00 178.15 177.45 2kwb h ASP 101 N 0.59 0.49 0.00 1.72 3.58 -0.97 0.23 116.42 122.06 2kwb h ASP 101 Ca 0.06 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kwb h ASP 101 Cb 0.87 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2kwb h ASP 101 CO 0.08 0.35 -0.00 -0.74 -2.88 0.00 0.00 179.24 176.05 2kwb h HIS 102 N 0.58 -0.01 -0.09 0.28 2.76 -0.07 -1.55 115.15 117.05 2kwb h HIS 102 Ca 0.16 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2kwb h HIS 102 Cb -0.06 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 2kwb h HIS 102 CO -0.05 0.22 -0.12 1.98 -1.30 0.00 0.00 177.93 178.65 2kwb h MET 103 N -0.23 0.24 0.00 5.26 1.85 -1.16 -3.23 114.93 117.67 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 0.22 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.27 2kwb h MET 103 CO 0.00 0.70 0.00 1.49 -0.40 0.00 0.00 176.91 178.70 2kwb h GLU 104 N -0.20 0.00 0.48 0.39 4.22 -1.02 -1.89 114.58 116.57 2kwb h GLU 104 Ca 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 2kwb h GLU 104 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kwb h GLU 104 CO 0.03 0.00 -0.25 -0.22 -2.18 0.00 0.00 179.01 176.39 2kwb h LYS 105 N 0.00 -0.65 0.00 1.92 3.64 -1.29 -2.87 116.57 117.32 2kwb h LYS 105 Ca 0.00 0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.09 2kwb h LYS 105 Cb 0.68 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 2kwb h LYS 105 CO 0.00 -0.43 -2.28 0.27 -2.27 0.00 0.00 179.45 174.74 2kwb n ASN 106 N -5.39 1.85 -0.01 4.20 0.23 -1.24 -4.65 115.26 110.26 2kwb n ASN 106 Ca -0.12 -0.09 -0.10 0.00 -0.53 0.00 0.00 54.58 53.74 2kwb n ASN 106 Cb 0.29 -0.06 -0.08 0.00 -2.08 0.00 0.00 39.78 37.85 2kwb n ASN 106 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2kwb h ASN 107 N 0.00 -0.07 -0.30 0.53 -0.73 -1.51 -3.46 115.58 110.03 2kwb h ASN 107 Ca -0.50 -0.53 -0.02 0.00 1.87 0.00 0.00 56.30 57.12 2kwb h ASN 107 Cb 1.86 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 40.46 2kwb h ASN 107 CO -0.05 0.63 -0.02 -2.11 -0.37 0.00 0.00 177.43 175.50 2kwb n ARG 108 N -4.78 -1.85 -2.48 6.67 1.85 -1.08 -4.88 116.66 110.12 2kwb n ARG 108 Ca -0.07 0.19 -0.43 0.00 -1.00 0.00 0.00 57.85 56.54 2kwb n ARG 108 Cb 0.29 -3.48 -0.02 0.00 -1.05 0.00 0.00 32.46 28.20 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kwb s ASP 109 N -0.78 6.44 0.57 2.89 -1.08 -1.26 -4.89 116.67 118.57 2kwb s ASP 109 Ca 0.00 0.56 0.28 0.00 -0.52 0.00 0.00 52.55 52.87 2kwb s ASP 109 Cb 0.00 -2.55 1.50 0.00 -1.46 0.00 0.00 42.92 40.42 2kwb s ASP 109 CO 0.00 -1.39 1.98 0.11 0.52 0.00 0.00 175.17 176.39 2kwb h LYS 110 N 10.04 0.00 0.18 4.34 1.57 -1.99 0.16 116.57 130.87 2kwb h LYS 110 Ca -0.25 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.23 2kwb h LYS 110 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.41 2kwb h LYS 110 CO 1.12 0.00 -1.34 0.00 -0.57 0.00 0.00 179.45 178.66 2kwb h ALA 111 N 1.63 -0.01 0.08 3.86 0.00 -1.99 -3.12 119.26 119.70 2kwb h ALA 111 Ca 0.20 -0.88 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kwb h ALA 111 Cb 0.95 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kwb h ALA 111 CO -0.00 0.86 -0.04 0.22 0.00 0.00 0.00 179.25 180.29 2kwb h ASP 112 N 0.10 -0.09 -0.24 0.00 1.82 -1.22 -2.82 116.42 113.97 2kwb h ASP 112 Ca -0.19 -0.51 0.04 0.00 -0.39 0.00 0.00 57.03 55.98 2kwb h ASP 112 Cb 2.06 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 42.08 2kwb h ASP 112 CO 0.23 0.56 0.16 -0.37 -1.61 0.00 0.00 179.24 178.22 2kwb h VAL 113 N -0.85 0.97 -0.32 2.25 -1.51 -1.02 0.91 116.25 116.67 2kwb h VAL 113 Ca -0.01 -0.06 -0.13 0.00 -1.23 0.00 0.00 66.70 65.28 2kwb h VAL 113 Cb 0.59 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2kwb h VAL 113 CO 0.02 0.03 -0.31 -0.78 -1.23 0.00 0.00 177.57 175.30 2kwb h ASP 114 N 0.17 0.71 -0.07 4.19 3.58 -1.61 0.11 116.42 123.49 2kwb h ASP 114 Ca 0.10 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2kwb h ASP 114 Cb 0.20 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kwb h ASP 114 CO -0.02 0.98 0.01 0.00 -2.88 0.00 0.00 179.24 177.33 2kwb h ALA 115 N 1.07 0.10 -0.04 -0.78 0.00 -0.68 0.18 119.26 119.10 2kwb h ALA 115 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kwb h ALA 115 Cb 0.82 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2kwb h ALA 115 CO 0.07 -0.25 -0.14 0.35 0.00 0.00 0.00 179.25 179.27 2kwb h PHE 116 N -0.12 -0.37 -0.91 0.00 3.57 -0.88 0.93 116.94 119.16 2kwb h PHE 116 Ca 0.02 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2kwb h PHE 116 Cb 0.28 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2kwb h PHE 116 CO 0.02 -0.21 0.59 -0.22 -2.23 0.00 0.00 178.31 176.26 2kwb h LYS 117 N -0.22 0.96 -0.54 1.11 3.64 -0.75 -0.78 116.57 119.98 2kwb h LYS 117 Ca 0.06 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2kwb h LYS 117 Cb 0.30 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2kwb h LYS 117 CO -0.17 0.63 0.02 -0.22 -2.27 0.00 0.00 179.45 177.44 2kwb h LYS 118 N 0.99 0.95 -0.03 1.90 3.64 -0.03 -1.33 116.57 122.65 2kwb h LYS 118 Ca 0.41 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2kwb h LYS 118 Cb 0.29 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kwb h LYS 118 CO -0.17 0.95 -0.00 0.87 -2.27 0.00 0.00 179.45 178.83 2kwb h LYS 119 N 0.83 0.06 -0.28 1.90 1.79 -0.08 -0.56 116.57 120.23 2kwb h LYS 119 Ca 0.16 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 2kwb h LYS 119 Cb 0.51 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2kwb h LYS 119 CO 0.02 0.36 -0.15 0.97 -1.08 0.00 0.00 179.45 179.57 2kwb h ILE 120 N -0.24 1.24 -0.07 1.86 6.09 -1.20 -0.79 117.51 124.39 2kwb h ILE 120 Ca 0.01 -1.07 -0.01 0.00 -1.37 0.00 0.00 64.86 62.43 2kwb h ILE 120 Cb 0.33 1.20 -0.00 0.00 0.47 0.00 0.00 36.82 38.81 2kwb h ILE 120 CO 0.00 0.35 0.02 -0.61 -3.07 0.00 0.00 178.15 174.84 2kwb h GLN 121 N 0.44 0.12 -0.95 2.19 5.75 -1.15 -1.10 115.11 120.40 2kwb h GLN 121 Ca 0.08 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 2kwb h GLN 121 Cb 0.53 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.01 2kwb h GLN 121 CO 0.03 0.28 0.62 0.78 -2.65 0.00 0.00 178.83 177.90 2kwb h GLY 122 N -0.07 1.38 0.94 2.39 0.00 -0.87 -0.70 103.07 106.14 2kwb h GLY 122 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2kwb h GLY 122 CO -0.00 0.39 -0.30 -0.25 0.00 0.00 0.00 176.54 176.38 2kwb h TRP 123 N 1.18 -0.79 -0.64 5.60 7.01 -0.98 -2.74 115.95 124.59 2kwb h TRP 123 Ca 0.38 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.32 2kwb h TRP 123 Cb 0.04 0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 2kwb h TRP 123 CO -0.00 -0.47 0.24 -0.39 -2.79 0.00 0.00 178.44 175.03 2kwb h VAL 124 N -0.92 1.24 -0.27 2.65 -1.51 -1.05 -0.07 116.25 116.33 2kwb h VAL 124 Ca -0.09 -0.77 -0.05 0.00 -1.23 0.00 0.00 66.70 64.57 2kwb h VAL 124 Cb 0.68 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 2kwb h VAL 124 CO 0.14 0.30 -0.05 1.62 -1.23 0.00 0.00 177.57 178.36 2kwb h VAL 125 N 0.91 1.19 0.25 7.19 3.04 -1.17 0.12 116.25 127.77 2kwb h VAL 125 Ca 0.21 -0.77 -0.33 0.00 -1.01 0.00 0.00 66.70 64.80 2kwb h VAL 125 Cb 0.23 1.04 0.04 0.00 -2.01 0.00 0.00 31.29 30.58 2kwb h VAL 125 CO -0.01 0.26 -1.43 -1.28 -1.01 0.00 0.00 177.57 174.09 2kwb h SER 126 N 0.40 0.82 -0.42 3.17 0.87 -1.31 -3.36 113.55 113.72 2kwb h SER 126 Ca 0.09 -0.92 -0.09 0.00 -1.23 0.00 0.00 61.79 59.63 2kwb h SER 126 Cb 0.34 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2kwb h SER 126 CO 0.01 1.69 -0.10 0.25 -0.53 0.00 0.00 176.83 178.15 2kwb h LEU 127 N 0.10 0.81 0.00 2.23 5.85 -0.67 -2.93 115.31 120.70 2kwb h LEU 127 Ca -0.25 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2kwb h LEU 127 Cb 2.13 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.94 2kwb h LEU 127 CO 0.26 0.99 0.00 0.18 -0.34 0.00 0.00 178.44 179.53 2kwb n LEU 128 N -4.31 0.00 -3.84 2.25 4.77 0.37 -4.44 117.00 111.80 2kwb n LEU 128 Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 2kwb n LEU 128 Cb 0.37 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2kwb n LEU 128 CO 0.43 0.00 1.84 0.00 -1.33 0.00 0.00 177.39 178.33 2kwb n ALA 129 N -0.93 2.44 0.32 -1.18 0.00 -1.11 -4.71 120.51 115.34 2kwb n ALA 129 Ca 0.13 -3.10 0.20 0.00 0.00 0.00 0.00 53.44 50.66 2kwb n ALA 129 Cb 0.06 -3.61 1.08 0.00 0.00 0.00 0.00 19.45 16.98 2kwb n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kwb h LYS 130 N 8.79 0.00 -0.45 0.00 1.57 -1.90 0.99 116.57 125.58 2kwb h LYS 130 Ca 0.33 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.22 2kwb h LYS 130 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2kwb h LYS 130 CO 1.79 0.00 0.31 -0.44 -0.57 0.00 0.00 179.45 180.54 2kwb h ASP 131 N 0.00 0.10 0.00 0.86 5.19 -1.96 0.32 116.42 120.93 2kwb h ASP 131 Ca 0.01 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.21 2kwb h ASP 131 Cb 0.06 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 2kwb h ASP 131 CO -0.00 0.06 -1.78 -1.14 -3.12 0.00 0.00 179.24 173.26 2kwb n ARG 132 N -4.44 0.85 0.00 3.56 0.63 -0.34 -4.79 116.66 112.14 2kwb n ARG 132 Ca 0.07 0.06 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 2kwb n ARG 132 Cb 0.44 -1.28 0.24 0.00 0.45 0.00 0.00 32.46 32.31 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2kwb n PHE 133 N -2.77 0.00 0.12 -0.14 3.01 0.20 -4.22 117.46 113.66 2kwb n PHE 133 Ca -0.23 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.31 2kwb n PHE 133 Cb 0.79 -0.10 0.41 0.00 -0.01 0.00 0.00 39.48 40.57 2kwb n PHE 133 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2kwb n LYS 134 N -0.62 0.10 -0.53 -1.08 4.81 0.09 -0.78 118.16 120.14 2kwb n LYS 134 Ca 0.10 0.59 -0.03 0.00 -0.87 0.00 0.00 58.31 58.09 2kwb n LYS 134 Cb 0.38 -1.87 0.16 0.00 0.02 0.00 0.00 35.03 33.72 2kwb n LYS 134 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2kwb n ASN 135 N -2.03 3.40 -4.88 3.14 0.23 -1.26 -4.73 115.26 109.13 2kwb n ASN 135 Ca -0.01 -2.63 -0.30 0.00 -0.53 0.00 0.00 54.58 51.11 2kwb n ASN 135 Cb 0.07 -0.63 -0.04 0.00 -2.08 0.00 0.00 39.78 37.10 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kwb s LEU 136 N -1.52 3.95 -0.34 -4.53 1.43 0.04 -4.97 118.68 112.74 2kwb s LEU 136 Ca 0.28 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 54.29 2kwb s LEU 136 Cb 0.23 -3.85 0.02 0.00 0.03 0.00 0.00 46.19 42.61 2kwb s LEU 136 CO 0.07 -0.29 0.17 0.00 0.23 0.00 0.00 176.35 176.53 2kwb s ALA 137 N -2.20 3.24 -0.46 4.21 0.00 -1.09 -4.80 121.76 120.66 2kwb s ALA 137 Ca 0.49 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 2kwb s ALA 137 Cb -0.10 -2.45 0.05 0.00 0.00 0.00 0.00 23.12 20.61 2kwb s ALA 137 CO 0.29 -1.18 0.42 -0.06 0.00 0.00 0.00 175.76 175.23 2kwb s PHE 138 N 1.56 3.20 -0.02 0.00 0.08 -0.84 -0.72 117.98 121.24 2kwb s PHE 138 Ca 0.03 -0.69 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 2kwb s PHE 138 Cb -0.18 -3.05 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 2kwb s PHE 138 CO 0.06 -0.77 0.25 -0.06 -0.10 0.00 0.00 175.22 174.59 2kwb s PHE 139 N 1.91 3.59 0.06 0.36 0.40 -0.33 -0.23 117.98 123.74 2kwb s PHE 139 Ca 0.08 0.58 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 2kwb s PHE 139 Cb -0.21 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 2kwb s PHE 139 CO 0.10 0.64 -0.09 -1.50 0.70 0.00 0.00 175.22 175.07 2kwb s ILE 140 N -1.24 0.67 0.63 0.64 2.07 -0.30 -0.63 121.20 123.04 2kwb s ILE 140 Ca 0.25 -1.25 -0.18 0.00 -1.41 0.00 0.00 60.65 58.06 2kwb s ILE 140 Cb -0.13 -0.85 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 2kwb s ILE 140 CO 0.14 -0.43 1.23 -0.83 -1.91 0.00 0.00 174.94 173.15 2kwb s GLY 141 N -1.83 2.71 0.14 1.50 0.00 -1.26 -1.54 107.32 107.04 2kwb s GLY 141 Ca -0.05 1.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.42 2kwb s GLY 141 CO 0.00 1.45 1.57 -2.09 0.00 0.00 0.00 173.10 174.03 2kwb h GLU 142 N 0.60 -0.39 -0.29 2.90 4.57 -1.81 0.14 114.58 120.29 2kwb h GLU 142 Ca -0.50 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 2kwb h GLU 142 Cb 1.31 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2kwb h GLU 142 CO 0.54 -0.26 0.03 0.00 -1.18 0.00 0.00 179.01 178.14 2kwb h ARG 143 N -0.40 0.50 -0.82 1.92 3.08 -1.92 -3.18 114.38 113.55 2kwb h ARG 143 Ca 0.10 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2kwb h ARG 143 Cb 0.61 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2kwb h ARG 143 CO -0.54 0.61 0.54 0.00 -1.07 0.00 0.00 179.97 179.51 2kwb h ALA 144 N 0.86 1.45 0.38 0.04 0.00 -1.81 0.11 119.26 120.30 2kwb h ALA 144 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kwb h ALA 144 Cb 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kwb h ALA 144 CO 0.01 0.50 -0.18 0.00 0.00 0.00 0.00 179.25 179.57 2kwb h ALA 145 N 1.50 -0.51 -0.47 0.00 0.00 -0.75 0.21 119.26 119.24 2kwb h ALA 145 Ca 0.31 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2kwb h ALA 145 Cb -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kwb h ALA 145 CO -0.08 -0.71 -0.19 1.49 0.00 0.00 0.00 179.25 179.77 2kwb h GLU 146 N -0.68 0.96 0.00 0.00 4.57 -1.51 -3.02 114.58 114.90 2kwb h GLU 146 Ca -0.05 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2kwb h GLU 146 Cb 0.49 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2kwb h GLU 146 CO 0.09 1.07 -0.05 0.78 -1.18 0.00 0.00 179.01 179.71 2kwb h GLY 147 N 0.81 0.00 -1.17 1.92 0.00 -0.79 -3.47 103.07 100.37 2kwb h GLY 147 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.08 2kwb h GLY 147 CO 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.25 2kwb n ALA 148 N -2.12 -0.32 -2.25 3.60 0.00 0.73 -4.89 120.51 115.27 2kwb n ALA 148 Ca 0.02 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 2kwb n ALA 148 Cb 0.42 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 2kwb n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kwb s GLU 149 N -3.77 3.01 0.00 0.00 0.41 -1.20 -4.49 118.70 112.65 2kwb s GLU 149 Ca 0.00 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 2kwb s GLU 149 Cb 0.00 -5.31 0.00 0.00 -1.78 0.00 0.00 34.13 27.04 2kwb s GLU 149 CO 0.00 -3.28 0.00 0.09 -0.49 0.00 0.00 175.26 171.58 2kwb n ASN 150 N 12.22 0.00 -1.04 -0.19 5.03 -1.26 -4.45 115.26 125.56 2kwb n ASN 150 Ca 0.44 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.89 2kwb n ASN 150 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 2kwb n ASN 150 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kwb n GLY 151 N 0.00 -0.22 3.56 7.41 0.00 -1.26 -4.45 105.19 110.22 2kwb n GLY 151 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2kwb n GLY 151 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kwb s GLN 152 N -1.22 2.82 -0.16 1.61 2.00 -1.26 -4.95 119.66 118.51 2kwb s GLN 152 Ca 0.00 0.68 -0.23 0.00 -2.00 0.00 0.00 55.36 53.81 2kwb s GLN 152 Cb 0.00 -4.32 -0.02 0.00 0.80 0.00 0.00 33.01 29.46 2kwb s GLN 152 CO 0.00 -2.50 0.73 0.08 -0.50 0.00 0.00 175.29 173.10 2kwb s VAL 153 N 8.32 4.97 -0.38 1.34 1.01 -1.26 -4.57 120.40 129.83 2kwb s VAL 153 Ca 0.66 1.43 -0.19 0.00 0.00 0.00 0.00 61.98 63.88 2kwb s VAL 153 Cb -0.14 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2kwb s VAL 153 CO 0.23 0.11 0.56 0.00 0.00 0.00 0.00 175.10 176.00 2kwb s ALA 154 N 1.76 3.44 -0.38 5.51 0.00 0.20 -4.94 121.76 127.33 2kwb s ALA 154 Ca 0.35 -1.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 2kwb s ALA 154 Cb -0.17 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.84 2kwb s ALA 154 CO 0.13 -1.41 0.60 0.42 0.00 0.00 0.00 175.76 175.49 2kwb s ILE 155 N 2.54 4.91 -0.52 0.00 1.01 -1.06 -1.19 121.20 126.90 2kwb s ILE 155 Ca 0.20 0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.96 2kwb s ILE 155 Cb -0.15 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.28 2kwb s ILE 155 CO 0.15 -0.39 0.76 -0.63 0.00 0.00 0.00 174.94 174.83 2kwb s ILE 156 N 2.64 4.67 -0.15 2.92 -1.09 0.10 -0.10 121.20 130.19 2kwb s ILE 156 Ca 0.22 -0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 2kwb s ILE 156 Cb -0.15 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2kwb s ILE 156 CO 0.16 -0.90 0.00 -0.70 -1.23 0.00 0.00 174.94 172.27 2kwb s GLU 157 N 3.18 3.63 0.04 2.79 2.12 -0.17 -2.68 118.70 127.62 2kwb s GLU 157 Ca 0.22 -0.44 -0.19 0.00 0.36 0.00 0.00 54.97 54.92 2kwb s GLU 157 Cb -0.16 -2.98 -0.06 0.00 0.26 0.00 0.00 34.13 31.18 2kwb s GLU 157 CO 0.16 0.35 0.57 1.52 -0.54 0.00 0.00 175.26 177.31 2kwb s TYR 158 N 0.10 3.77 -0.06 5.30 1.13 -1.26 -0.83 117.35 125.49 2kwb s TYR 158 Ca 0.02 1.23 -0.02 0.00 -1.41 0.00 0.00 57.07 56.89 2kwb s TYR 158 Cb -0.13 -2.52 0.03 0.00 -1.10 0.00 0.00 41.96 38.24 2kwb s TYR 158 CO 0.02 0.52 0.03 1.03 -2.51 0.00 0.00 175.55 174.64 2kwb s ARG 159 N -0.83 0.29 -0.90 -3.49 1.81 -0.95 -4.98 118.95 109.90 2kwb s ARG 159 Ca 0.29 0.22 -0.21 0.00 -1.72 0.00 0.00 55.73 54.31 2kwb s ARG 159 Cb -0.19 -0.80 0.09 0.00 -0.45 0.00 0.00 34.95 33.60 2kwb s ARG 159 CO 0.18 -0.33 1.21 0.16 -0.68 0.00 0.00 175.30 175.84 2kwb s ASP 160 N 2.06 6.48 -0.58 0.23 -4.77 -1.26 -1.39 116.67 117.46 2kwb s ASP 160 Ca 0.05 -1.58 -0.27 0.00 -3.30 0.00 0.00 52.55 47.44 2kwb s ASP 160 Cb -0.12 -2.46 -0.01 0.00 -1.09 0.00 0.00 42.92 39.24 2kwb s ASP 160 CO -0.04 -1.31 1.67 -0.69 0.70 0.00 0.00 175.17 175.49 2kwb s VAL 161 N 3.81 3.52 -1.93 2.11 1.01 0.89 -2.62 120.40 127.20 2kwb s VAL 161 Ca 0.35 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2kwb s VAL 161 Cb -0.06 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2kwb s VAL 161 CO -0.05 -1.02 0.00 0.47 0.00 0.00 0.00 175.10 174.50 2kwb n ASP 162 N 11.23 -5.19 0.00 3.32 9.92 -1.26 -1.05 116.55 133.53 2kwb n ASP 162 Ca 0.17 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 2kwb n ASP 162 Cb 0.50 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.49 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kwb n GLY 163 N -0.27 1.35 3.61 0.44 0.00 -1.08 -5.08 105.19 104.17 2kwb n GLY 163 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.15 4.64 -0.20 2.61 2.01 -0.22 -4.89 115.64 117.44 2kwb s THR 164 Ca 0.00 1.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 2kwb s THR 164 Cb 0.00 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 2kwb s THR 164 CO 0.00 -0.43 1.39 -0.70 -0.69 0.00 0.00 174.62 174.18 2kwb s GLU 165 N 3.33 4.05 -0.20 4.92 2.56 -1.26 -0.07 118.70 132.03 2kwb s GLU 165 Ca 0.37 1.60 -0.00 0.00 0.00 0.00 0.00 54.97 56.94 2kwb s GLU 165 Cb -0.13 -3.88 0.05 0.00 2.00 0.00 0.00 34.13 32.18 2kwb s GLU 165 CO 0.16 -0.96 -0.04 0.14 -0.56 0.00 0.00 175.26 174.01 2kwb s VAL 166 N 4.14 1.16 -0.32 3.70 -7.23 -0.48 -4.97 120.40 116.39 2kwb s VAL 166 Ca 0.60 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.65 2kwb s VAL 166 Cb -0.22 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.29 2kwb s VAL 166 CO 0.22 -0.02 1.36 -2.84 -0.31 0.00 0.00 175.10 173.50 2kwb s PRO 167 N 1.59 3.81 0.24 4.82 0.02 -1.26 -2.23 135.00 141.99 2kwb s PRO 167 Ca -0.02 1.19 0.08 0.00 0.02 0.00 0.00 61.00 62.27 2kwb s PRO 167 Cb -0.17 -3.93 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 2kwb s PRO 167 CO -0.07 -1.26 0.09 0.95 -0.33 0.00 0.00 177.00 176.38 2kwb s THR 168 N 4.73 3.96 -0.20 0.99 -4.23 -0.01 -4.04 115.64 116.84 2kwb s THR 168 Ca 0.59 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 59.44 2kwb s THR 168 Cb -0.16 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 2kwb s THR 168 CO 0.26 -0.32 0.06 -0.22 -0.54 0.00 0.00 174.62 173.87 2kwb s LEU 169 N -3.62 3.66 -0.21 4.79 2.96 0.93 -1.00 118.68 126.20 2kwb s LEU 169 Ca 0.31 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 2kwb s LEU 169 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kwb s LEU 169 CO 0.22 0.11 0.06 -0.32 -1.32 0.00 0.00 176.35 175.10 2kwb s MET 170 N 0.77 3.83 -0.05 1.98 -2.45 0.85 -2.38 119.30 121.85 2kwb s MET 170 Ca 0.03 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.05 2kwb s MET 170 Cb -0.13 -3.24 0.03 0.00 1.25 0.00 0.00 34.83 32.74 2kwb s MET 170 CO 0.02 0.09 0.01 -0.51 1.05 0.00 0.00 175.02 175.69 2kwb s LEU 171 N 0.86 0.68 -0.12 4.11 1.43 -0.96 -2.56 118.68 122.12 2kwb s LEU 171 Ca 0.03 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2kwb s LEU 171 Cb -0.14 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 2kwb s LEU 171 CO 0.02 -0.17 1.26 -0.69 0.23 0.00 0.00 176.35 177.00 2kwb s VAL 172 N 1.71 4.22 -0.85 -1.59 1.01 -1.26 -0.03 120.40 123.62 2kwb s VAL 172 Ca 0.00 1.51 0.16 0.00 0.00 0.00 0.00 61.98 63.66 2kwb s VAL 172 Cb -0.13 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.43 2kwb s VAL 172 CO -0.03 -0.08 1.51 2.29 0.00 0.00 0.00 175.10 178.78 2kwb n LYS 173 N 6.09 0.05 0.01 2.72 -0.00 -0.60 -1.05 118.16 125.39 2kwb n LYS 173 Ca 0.13 0.32 0.12 0.00 -0.00 0.00 0.00 58.31 58.87 2kwb n LYS 173 Cb 0.45 -1.61 0.16 0.00 -0.00 0.00 0.00 35.03 34.03 2kwb n LYS 173 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kwb n GLU 174 N -1.71 0.07 -0.07 -1.58 -0.58 -1.26 -3.81 120.64 111.70 2kwb n GLU 174 Ca 0.03 0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.60 2kwb n GLU 174 Cb 0.18 -1.53 -0.13 0.00 -0.57 0.00 0.00 31.44 29.38 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 -1.58 1.26 -3.95 0.62 0.00 -0.22 -4.74 120.51 111.91 2kwb n ALA 175 Ca 0.05 -0.93 -0.28 0.00 0.00 0.00 0.00 53.44 52.27 2kwb n ALA 175 Cb 0.36 -0.35 -0.17 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.53 1.26 -0.41 0.00 -4.36 -0.67 -1.50 121.20 112.97 2kwb s ILE 176 Ca -0.27 -0.50 -0.19 0.00 -0.26 0.00 0.00 60.65 59.44 2kwb s ILE 176 Cb 0.08 -1.27 0.02 0.00 1.25 0.00 0.00 42.46 42.54 2kwb s ILE 176 CO 0.69 0.35 0.52 -0.51 0.24 0.00 0.00 174.94 176.23 2kwb s ILE 177 N 1.60 4.99 -0.33 8.37 1.10 -0.10 -4.25 121.20 132.58 2kwb s ILE 177 Ca 0.04 -0.08 -0.29 0.00 -0.51 0.00 0.00 60.65 59.81 2kwb s ILE 177 Cb -0.13 -4.08 0.02 0.00 0.15 0.00 0.00 42.46 38.41 2kwb s ILE 177 CO -0.09 -0.45 1.10 -1.61 -2.11 0.00 0.00 174.94 171.79 2kwb s GLU 178 N 2.41 4.03 -0.33 3.50 0.41 -1.26 -2.11 118.70 125.35 2kwb s GLU 178 Ca 0.17 1.05 -0.18 0.00 -0.41 0.00 0.00 54.97 55.60 2kwb s GLU 178 Cb -0.16 -3.76 -0.01 0.00 -1.78 0.00 0.00 34.13 28.42 2kwb s GLU 178 CO 0.15 -0.96 0.53 -2.00 -0.49 0.00 0.00 175.26 172.50 2kwb s GLU 179 N 3.76 3.75 -0.72 1.61 2.56 0.10 -4.97 118.70 124.81 2kwb s GLU 179 Ca 0.47 0.00 -0.19 0.00 0.00 0.00 0.00 54.97 55.25 2kwb s GLU 179 Cb -0.12 -3.77 0.11 0.00 2.00 0.00 0.00 34.13 32.36 2kwb s GLU 179 CO 0.17 -0.58 0.89 0.15 -0.56 0.00 0.00 175.26 175.34 2kwb s LYS 180 N 2.42 3.26 -0.51 4.30 1.02 -1.26 -2.36 119.74 126.60 2kwb s LYS 180 Ca 0.20 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.81 2kwb s LYS 180 Cb -0.15 -4.44 0.14 0.00 -0.52 0.00 0.00 37.83 32.85 2kwb s LYS 180 CO 0.12 -1.65 0.29 0.00 -0.92 0.00 0.00 175.35 173.19 2kwb n LEU 182 N 3.10 2.91 -0.90 0.00 7.99 -1.26 0.10 117.00 128.94 2kwb n LEU 182 Ca 0.09 -0.09 0.11 0.00 -0.01 0.00 0.00 56.01 56.12 2kwb n LEU 182 Cb 0.34 -0.93 0.09 0.00 -0.11 0.00 0.00 43.42 42.81 2kwb n LEU 182 CO 0.29 0.92 0.61 -0.62 -1.51 0.00 0.00 177.39 177.07