#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 1.80 -0.14 4.03 2.96 -0.87 -4.72 118.68 121.73 2kwb s LEU 2 Ca 0.00 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 2kwb s LEU 2 Cb 0.00 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.65 2kwb s LEU 2 CO 0.00 0.09 0.21 -0.63 -1.32 0.00 0.00 176.35 174.70 2kwb s ILE 3 N 0.47 5.36 -0.04 6.68 1.01 -0.94 0.16 121.20 133.91 2kwb s ILE 3 Ca -0.14 0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.95 2kwb s ILE 3 Cb -0.15 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 2kwb s ILE 3 CO 0.05 0.49 -0.21 -0.72 0.00 0.00 0.00 174.94 174.55 2kwb s TYR 4 N -0.18 1.97 -0.04 3.97 1.13 -0.05 0.35 117.35 124.50 2kwb s TYR 4 Ca 0.14 -0.49 -0.05 0.00 -1.41 0.00 0.00 57.07 55.27 2kwb s TYR 4 Cb -0.13 -1.29 0.01 0.00 -1.10 0.00 0.00 41.96 39.45 2kwb s TYR 4 CO 0.03 -0.12 0.12 -1.59 -2.51 0.00 0.00 175.55 171.48 2kwb s LYS 5 N -0.24 0.19 0.63 -3.49 -2.85 -0.88 -2.60 119.74 110.51 2kwb s LYS 5 Ca 0.01 0.09 -0.05 0.00 -1.00 0.00 0.00 55.97 55.02 2kwb s LYS 5 Cb -0.11 0.09 0.03 0.00 -2.06 0.00 0.00 37.83 35.79 2kwb s LYS 5 CO 0.01 -0.03 0.93 -0.51 0.10 0.00 0.00 175.35 175.85 2kwb s ASP 6 N -0.14 5.21 0.51 0.03 1.11 -1.26 -0.60 116.67 121.53 2kwb s ASP 6 Ca -0.02 0.49 0.23 0.00 0.18 0.00 0.00 52.55 53.43 2kwb s ASP 6 Cb -0.02 -1.33 1.39 0.00 1.07 0.00 0.00 42.92 44.03 2kwb s ASP 6 CO 0.00 -1.30 2.09 0.16 1.18 0.00 0.00 175.17 177.31 2kwb h ILE 7 N -0.32 0.76 0.00 0.77 3.07 -0.93 -3.24 117.51 117.63 2kwb h ILE 7 Ca -0.45 -0.41 -0.19 0.00 1.55 0.00 0.00 64.86 65.37 2kwb h ILE 7 Cb 1.29 1.24 -0.04 0.00 -0.27 0.00 0.00 36.82 39.04 2kwb h ILE 7 CO 0.59 0.10 -1.72 2.22 -1.05 0.00 0.00 178.15 178.29 2kwb n PHE 8 N -3.96 0.00 1.11 0.16 1.16 -1.26 -4.70 117.46 109.97 2kwb n PHE 8 Ca -0.02 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.57 2kwb n PHE 8 Cb 0.19 -0.50 0.06 0.00 -1.61 0.00 0.00 39.48 37.62 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2kwb n THR 9 N -2.66 0.31 0.17 1.97 -1.04 -1.23 -4.31 114.28 107.49 2kwb n THR 9 Ca -0.20 -0.19 0.11 0.00 -2.04 0.00 0.00 64.05 61.72 2kwb n THR 9 Cb 0.78 -0.23 0.57 0.00 -1.82 0.00 0.00 70.33 69.64 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 0.65 0.00 0.37 8.00 2.03 -1.83 -1.32 116.42 124.32 2kwb h ASP 10 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2kwb h ASP 10 Cb 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 2kwb h ASP 10 CO 0.04 0.00 -0.18 0.44 -1.03 0.00 0.00 179.24 178.51 2kwb h ASP 11 N 0.00 -0.43 -0.16 4.15 3.32 -1.93 -3.17 116.42 118.20 2kwb h ASP 11 Ca 0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2kwb h ASP 11 Cb 0.13 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2kwb h ASP 11 CO 0.00 -0.03 0.07 -0.62 -1.72 0.00 0.00 179.24 176.94 2kwb n GLU 12 N -5.16 1.54 -1.49 3.56 1.02 -0.53 -4.95 120.64 114.63 2kwb n GLU 12 Ca -0.09 -0.64 -0.58 0.00 -0.02 0.00 0.00 57.16 55.83 2kwb n GLU 12 Cb 0.28 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2kwb n LEU 13 N 0.14 -0.12 -4.17 -4.62 0.00 -1.03 -4.96 117.00 102.24 2kwb n LEU 13 Ca 0.09 1.16 -0.25 0.00 0.00 0.00 0.00 56.01 57.01 2kwb n LEU 13 Cb 0.60 -0.93 -0.15 0.00 0.00 0.00 0.00 43.42 42.94 2kwb n LEU 13 CO 0.10 -2.01 -0.51 -0.44 0.00 0.00 0.00 177.39 174.53 2kwb s SER 14 N -0.10 2.12 -0.31 1.96 0.01 -1.07 -5.02 113.70 111.28 2kwb s SER 14 Ca 0.88 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.77 2kwb s SER 14 Cb -1.23 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 64.79 2kwb s SER 14 CO 0.57 0.22 0.05 -0.94 0.41 0.00 0.00 173.24 173.55 2kwb s SER 15 N -0.41 5.07 0.00 2.44 1.04 -1.26 -0.88 113.70 119.70 2kwb s SER 15 Ca 0.07 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2kwb s SER 15 Cb -0.07 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2kwb s SER 15 CO -0.01 -0.27 0.00 -0.67 0.98 0.00 0.00 173.24 173.27 2kwb n ASP 16 N 4.75 0.00 -0.57 7.02 2.03 0.12 -4.78 116.55 125.12 2kwb n ASP 16 Ca -0.13 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.23 2kwb n ASP 16 Cb 0.45 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.96 2kwb n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kwb n SER 17 N 0.00 1.45 -4.74 1.67 2.88 -1.26 -2.06 113.62 111.55 2kwb n SER 17 Ca 0.00 -2.92 -0.42 0.00 -1.33 0.00 0.00 58.87 54.21 2kwb n SER 17 Cb 0.00 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.05 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 -1.89 2.76 0.00 0.66 0.40 -1.26 -5.03 117.98 113.63 2kwb s PHE 18 Ca 0.28 0.68 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 2kwb s PHE 18 Cb 0.27 -4.10 0.00 0.00 0.51 0.00 0.00 43.02 39.70 2kwb s PHE 18 CO -0.04 -3.79 0.00 -0.35 0.70 0.00 0.00 175.22 171.74 2kwb n PRO 19 N 2.52 0.01 -3.77 0.24 -0.04 -1.26 -5.12 135.00 127.58 2kwb n PRO 19 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2kwb n PRO 19 Cb 0.37 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.70 2kwb n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kwb s MET 20 N -2.95 0.22 -0.33 0.54 0.23 -1.26 -5.01 119.30 110.74 2kwb s MET 20 Ca 0.00 0.39 0.02 0.00 -1.03 0.00 0.00 55.69 55.07 2kwb s MET 20 Cb 0.00 0.00 0.10 0.00 -1.53 0.00 0.00 34.83 33.40 2kwb s MET 20 CO 0.00 -0.09 0.06 0.15 -2.03 0.00 0.00 175.02 173.11 2kwb s LYS 21 N 0.63 1.22 -0.20 3.16 -0.14 -1.22 -5.01 119.74 118.16 2kwb s LYS 21 Ca -0.04 -1.56 -0.17 0.00 -1.36 0.00 0.00 55.97 52.84 2kwb s LYS 21 Cb -0.06 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 2kwb s LYS 21 CO -0.03 -0.94 0.46 -1.17 -0.76 0.00 0.00 175.35 172.90 2kwb s LEU 22 N 1.17 4.15 0.00 3.17 2.96 -1.26 -0.96 118.68 127.92 2kwb s LEU 22 Ca 0.10 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.67 2kwb s LEU 22 Cb -0.18 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2kwb s LEU 22 CO -0.14 -0.14 -0.21 0.54 -1.32 0.00 0.00 176.35 175.08 2kwb s VAL 23 N 1.51 2.49 -0.67 1.68 0.11 -0.18 -4.65 120.40 120.70 2kwb s VAL 23 Ca 0.21 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 2kwb s VAL 23 Cb -0.15 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 2kwb s VAL 23 CO 0.09 0.47 0.00 0.47 -3.33 0.00 0.00 175.10 172.80 2kwb n ASP 24 N 2.02 -5.09 -2.10 3.54 8.00 -1.26 -1.41 116.55 120.26 2kwb n ASP 24 Ca -0.16 0.16 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 2kwb n ASP 24 Cb 0.52 -3.53 -0.02 0.00 -0.02 0.00 0.00 41.12 38.07 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kwb n ASP 25 N -0.69 -3.45 0.00 -2.24 8.00 -1.26 -4.78 116.55 112.13 2kwb n ASP 25 Ca -0.06 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2kwb n ASP 25 Cb 0.49 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 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 -2.46 2.01 -4.04 0.64 7.94 -0.50 -4.76 117.00 115.84 2kwb n LEU 26 Ca -0.13 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.67 2kwb n LEU 26 Cb 0.53 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.37 2kwb n LEU 26 CO 0.16 0.32 -0.38 0.68 -1.11 0.00 0.00 177.39 177.07 2kwb s VAL 27 N -1.94 0.33 -0.11 1.96 -7.23 -1.04 0.45 120.40 112.82 2kwb s VAL 27 Ca 0.00 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 2kwb s VAL 27 Cb 0.00 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2kwb s VAL 27 CO 0.00 -0.53 0.05 -0.31 -0.31 0.00 0.00 175.10 173.99 2kwb s TYR 28 N -1.83 3.30 -0.12 2.82 2.02 0.65 -1.01 117.35 123.17 2kwb s TYR 28 Ca -0.09 0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.83 2kwb s TYR 28 Cb -0.07 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 2kwb s TYR 28 CO -0.02 0.50 0.05 -1.83 -1.57 0.00 0.00 175.55 172.68 2kwb s GLU 29 N -0.74 3.33 -0.09 -0.62 -1.05 -0.13 -1.93 118.70 117.47 2kwb s GLU 29 Ca 0.12 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.65 2kwb s GLU 29 Cb -0.12 -2.99 -0.02 0.00 -0.44 0.00 0.00 34.13 30.56 2kwb s GLU 29 CO 0.03 0.63 -0.16 0.12 0.95 0.00 0.00 175.26 176.82 2kwb s PHE 30 N -0.64 2.69 -0.37 4.83 5.36 0.21 -3.46 117.98 126.60 2kwb s PHE 30 Ca 0.11 -0.52 -0.19 0.00 -0.96 0.00 0.00 56.93 55.37 2kwb s PHE 30 Cb -0.12 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 2kwb s PHE 30 CO 0.02 -0.10 0.55 0.15 -1.46 0.00 0.00 175.22 174.39 2kwb s LYS 31 N -0.10 3.54 0.26 10.12 1.02 -1.26 -0.76 119.74 132.57 2kwb s LYS 31 Ca -0.03 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.78 2kwb s LYS 31 Cb -0.14 -3.84 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 2kwb s LYS 31 CO 0.04 -0.73 0.10 0.41 -0.92 0.00 0.00 175.35 174.25 2kwb n GLY 32 N 4.83 3.41 3.17 -3.33 0.00 -0.71 -5.01 105.19 107.54 2kwb n GLY 32 Ca -0.04 -2.26 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 2kwb n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kwb s LYS 33 N -3.02 1.13 -0.38 1.61 2.47 -1.26 -4.02 119.74 116.27 2kwb s LYS 33 Ca 0.07 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.43 2kwb s LYS 33 Cb -0.01 -1.16 0.02 0.00 -1.46 0.00 0.00 37.83 35.23 2kwb s LYS 33 CO 0.05 0.30 1.09 -3.38 0.16 0.00 0.00 175.35 173.57 2kwb s HIS 34 N -0.73 3.03 0.28 4.03 -3.43 -1.26 -0.99 115.29 116.22 2kwb s HIS 34 Ca 0.04 1.02 -0.02 0.00 -0.80 0.00 0.00 55.06 55.31 2kwb s HIS 34 Cb -0.08 -3.95 -0.02 0.00 -1.43 0.00 0.00 32.58 27.10 2kwb s HIS 34 CO 0.01 -0.94 0.32 0.14 -2.00 0.00 0.00 174.74 172.26 2kwb s VAL 35 N 3.93 0.00 -0.21 -5.38 -7.23 -0.52 -4.97 120.40 106.02 2kwb s VAL 35 Ca 0.46 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2kwb s VAL 35 Cb -0.10 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 2kwb s VAL 35 CO 0.21 0.00 -0.03 0.68 -0.31 0.00 0.00 175.10 175.65 2kwb s VAL 36 N -3.67 3.56 -0.08 1.32 -7.23 -1.26 -2.25 120.40 110.78 2kwb s VAL 36 Ca 0.34 -0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 60.04 2kwb s VAL 36 Cb 0.03 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.40 2kwb s VAL 36 CO 0.17 0.42 0.09 -0.13 -0.31 0.00 0.00 175.10 175.34 2kwb s ARG 37 N 1.30 -0.02 -0.30 4.82 1.81 -0.53 -3.60 118.95 122.44 2kwb s ARG 37 Ca 0.04 0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 54.28 2kwb s ARG 37 Cb -0.14 -0.82 0.02 0.00 -0.45 0.00 0.00 34.95 33.56 2kwb s ARG 37 CO -0.01 -0.42 0.05 -1.59 -0.68 0.00 0.00 175.30 172.65 2kwb s LYS 38 N 2.18 2.85 -0.97 3.54 -2.85 -1.04 -1.46 119.74 122.00 2kwb s LYS 38 Ca 0.04 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 2kwb s LYS 38 Cb -0.13 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.35 2kwb s LYS 38 CO -0.05 -0.51 0.00 0.39 0.10 0.00 0.00 175.35 175.28 2kwb n GLU 39 N 4.79 -1.70 0.00 1.78 1.02 -1.26 -1.00 120.64 124.26 2kwb n GLU 39 Ca -0.14 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2kwb n GLU 39 Cb 0.46 -5.23 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kwb n GLY 40 N 0.27 1.98 3.77 0.62 0.00 -1.26 -5.10 105.19 105.46 2kwb n GLY 40 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.31 4.70 -0.21 1.61 2.12 -0.17 -5.06 118.70 121.39 2kwb s GLU 41 Ca 0.00 1.42 -0.05 0.00 0.36 0.00 0.00 54.97 56.71 2kwb s GLU 41 Cb 0.00 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 2kwb s GLU 41 CO 0.00 0.38 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.58 2kwb s ILE 42 N -1.40 3.72 -0.44 -3.70 1.10 -1.26 -2.49 121.20 116.73 2kwb s ILE 42 Ca 0.46 -0.39 0.05 0.00 -0.51 0.00 0.00 60.65 60.26 2kwb s ILE 42 Cb -0.22 -2.69 0.19 0.00 0.15 0.00 0.00 42.46 39.88 2kwb s ILE 42 CO 0.28 0.42 0.75 0.54 -2.11 0.00 0.00 174.94 174.82 2kwb s VAL 43 N 1.24 -0.85 0.94 4.00 0.11 -1.24 -5.10 120.40 119.51 2kwb s VAL 43 Ca 0.03 -0.41 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 2kwb s VAL 43 Cb -0.15 0.00 0.11 0.00 -1.53 0.00 0.00 36.38 34.82 2kwb s VAL 43 CO 0.00 0.00 0.86 0.18 -3.33 0.00 0.00 175.10 172.81 2kwb n LEU 44 N 3.61 1.86 0.00 2.54 4.32 -1.26 -3.31 117.00 124.76 2kwb n LEU 44 Ca 0.13 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 2kwb n LEU 44 Cb 0.58 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 2kwb n LEU 44 CO -0.02 -2.74 0.00 0.00 -1.22 0.00 0.00 177.39 173.41 2kwb n ALA 45 N -4.04 0.00 -2.61 -1.18 0.00 -1.26 -4.96 120.51 106.46 2kwb n ALA 45 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 2kwb n ALA 45 Cb 0.53 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.00 1.00 0.00 0.00 0.00 -1.21 -4.60 107.32 100.51 2kwb s GLY 46 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2kwb s GLY 46 CO 0.00 2.55 0.00 1.44 0.00 0.00 0.00 173.10 177.09 2kwb n SER 47 N 9.04 0.00 -2.69 1.64 7.64 -1.26 -5.05 113.62 122.93 2kwb n SER 47 Ca 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.90 2kwb n SER 47 Cb 0.49 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 2kwb n SER 47 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kwb n ASN 48 N -1.36 -5.34 -4.79 6.43 4.13 -1.26 -4.99 115.26 108.08 2kwb n ASN 48 Ca 0.00 1.40 -0.33 0.00 1.68 0.00 0.00 54.58 57.33 2kwb n ASN 48 Cb 0.00 -5.26 0.03 0.00 -1.54 0.00 0.00 39.78 33.01 2kwb n ASN 48 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2kwb s PRO 49 N -1.28 3.09 -0.35 3.52 0.04 -1.26 -5.03 135.00 133.72 2kwb s PRO 49 Ca -0.10 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 2kwb s PRO 49 Cb 0.01 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2kwb s PRO 49 CO 0.78 -1.00 0.31 -1.54 0.04 0.00 0.00 177.00 175.58 2kwb s SER 50 N -2.80 6.12 0.00 6.66 1.04 -1.26 -5.02 113.70 118.44 2kwb s SER 50 Ca 0.64 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2kwb s SER 50 Cb -0.17 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2kwb s SER 50 CO 0.40 -0.32 0.38 0.00 0.98 0.00 0.00 173.24 174.68 2kwb n ALA 51 N 5.25 -0.12 -1.02 5.32 0.00 -1.26 -4.27 120.51 124.41 2kwb n ALA 51 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 2kwb n ALA 51 Cb 0.49 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.26 2kwb n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 52 N -1.18 3.72 -3.84 0.00 -0.58 -1.26 -4.72 120.64 112.79 2kwb n GLU 52 Ca 0.00 -3.05 -0.36 0.00 -0.42 0.00 0.00 57.16 53.33 2kwb n GLU 52 Cb 0.00 -2.09 -0.13 0.00 -0.57 0.00 0.00 31.44 28.64 2kwb n GLU 52 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2kwb s GLU 53 N -2.90 2.81 -1.04 3.49 2.56 -1.26 -4.55 118.70 117.81 2kwb s GLU 53 Ca 0.50 -1.02 -0.04 0.00 0.00 0.00 0.00 54.97 54.41 2kwb s GLU 53 Cb 0.40 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 33.30 2kwb s GLU 53 CO 0.12 -0.50 0.54 0.41 -0.56 0.00 0.00 175.26 175.26 2kwb n GLY 54 N 4.75 -0.13 0.29 -1.50 0.00 -1.26 -4.78 105.19 102.56 2kwb n GLY 54 Ca -0.14 -0.12 0.20 0.00 0.00 0.00 0.00 46.02 45.96 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb h ALA 55 N 0.70 1.00 -0.31 4.61 0.00 -1.84 -1.05 119.26 122.36 2kwb h ALA 55 Ca -0.38 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2kwb h ALA 55 Cb 1.26 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2kwb h ALA 55 CO 0.39 0.00 -0.13 0.39 0.00 0.00 0.00 179.25 179.91 2kwb n GLU 56 N -2.88 1.83 -1.79 0.00 1.02 -1.26 -5.06 120.64 112.50 2kwb n GLU 56 Ca -0.02 -3.20 -0.39 0.00 -0.02 0.00 0.00 57.16 53.53 2kwb n GLU 56 Cb 0.08 -1.80 0.03 0.00 -0.02 0.00 0.00 31.44 29.73 2kwb n GLU 56 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kwb s ASP 57 N -2.61 5.61 0.00 1.62 2.15 -0.40 -4.94 116.67 118.10 2kwb s ASP 57 Ca 0.44 2.86 0.00 0.00 0.43 0.00 0.00 52.55 56.28 2kwb s ASP 57 Cb 0.40 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2kwb s ASP 57 CO -0.01 -1.35 0.23 -0.90 -0.17 0.00 0.00 175.17 172.96 2kwb n ASP 58 N -0.56 0.45 -3.39 -0.34 5.68 -1.26 -5.02 116.55 112.12 2kwb n ASP 58 Ca 0.07 -0.98 -0.16 0.00 -0.50 0.00 0.00 54.79 53.22 2kwb n ASP 58 Cb 0.43 0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 2kwb n ASP 58 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2kwb s GLY 59 N -0.01 -0.16 0.25 6.12 0.00 -1.26 -5.13 107.32 107.12 2kwb s GLY 59 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.18 2kwb s GLY 59 CO 0.00 2.70 0.60 -1.35 0.00 0.00 0.00 173.10 175.05 2kwb s SER 60 N 2.26 -0.22 0.00 1.64 1.04 -1.26 -5.15 113.70 112.01 2kwb s SER 60 Ca 0.10 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2kwb s SER 60 Cb -0.14 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2kwb s SER 60 CO -0.29 -1.21 0.00 0.47 0.98 0.00 0.00 173.24 173.19 2kwb n ASP 61 N -0.41 0.00 0.00 7.02 8.00 -1.26 -4.90 116.55 125.00 2kwb n ASP 61 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2kwb n ASP 61 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwb n GLU 62 N 0.00 -1.57 0.10 -1.24 4.71 -1.26 -4.69 120.64 116.69 2kwb n GLU 62 Ca 0.00 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.53 2kwb n GLU 62 Cb 0.00 -3.95 0.17 0.00 -1.01 0.00 0.00 31.44 26.65 2kwb n GLU 62 CO 0.00 0.00 0.00 1.12 0.09 0.00 0.00 177.13 178.34 2kwb h HIS 63 N 0.00 0.00 -2.11 -0.32 2.07 -1.90 -3.41 115.15 109.48 2kwb h HIS 63 Ca 0.00 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.07 2kwb h HIS 63 Cb 0.51 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.50 2kwb h HIS 63 CO 0.32 0.00 -0.30 0.08 -3.07 0.00 0.00 177.93 174.96 2kwb s VAL 64 N -3.21 4.33 0.00 6.12 1.01 -1.26 -4.24 120.40 123.15 2kwb s VAL 64 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2kwb s VAL 64 Cb 0.11 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2kwb s VAL 64 CO 0.71 -0.25 0.00 1.21 0.00 0.00 0.00 175.10 176.77 2kwb n GLU 65 N -1.69 0.00 -3.79 2.72 2.13 -0.54 -4.94 120.64 114.53 2kwb n GLU 65 Ca -0.02 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.59 2kwb n GLU 65 Cb 0.58 -2.48 -0.17 0.00 0.27 0.00 0.00 31.44 29.63 2kwb n GLU 65 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2kwb s ARG 66 N -0.11 0.39 0.00 5.31 6.06 -1.26 -1.45 118.95 127.89 2kwb s ARG 66 Ca 0.00 0.17 0.00 0.00 -2.50 0.00 0.00 55.73 53.40 2kwb s ARG 66 Cb 0.00 -0.76 0.00 0.00 0.06 0.00 0.00 34.95 34.25 2kwb s ARG 66 CO 0.00 -0.27 0.00 0.41 -2.50 0.00 0.00 175.30 172.94 2kwb n GLY 67 N 4.97 -0.55 3.55 8.12 0.00 -0.95 -4.90 105.19 115.43 2kwb n GLY 67 Ca -0.10 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N -4.00 3.59 0.42 -0.61 -4.36 -1.26 -1.44 121.20 113.53 2kwb s ILE 68 Ca 0.00 -0.52 0.21 0.00 -0.26 0.00 0.00 60.65 60.09 2kwb s ILE 68 Cb 0.00 -2.47 0.42 0.00 1.25 0.00 0.00 42.46 41.66 2kwb s ILE 68 CO 0.00 0.59 1.76 -0.78 0.24 0.00 0.00 174.94 176.75 2kwb h ASP 69 N 5.43 0.38 -0.00 4.36 3.58 -1.38 -2.17 116.42 126.61 2kwb h ASP 69 Ca -0.46 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.08 2kwb h ASP 69 Cb 1.17 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2kwb h ASP 69 CO 0.53 0.05 -0.30 0.40 -2.88 0.00 0.00 179.24 177.04 2kwb h ILE 70 N 0.32 0.00 -0.02 2.25 2.04 -1.95 -0.27 117.51 119.87 2kwb h ILE 70 Ca 0.62 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.31 2kwb h ILE 70 Cb 1.69 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2kwb h ILE 70 CO -0.28 0.00 -0.75 -0.37 0.00 0.00 0.00 178.15 176.75 2kwb h VAL 71 N -0.37 1.47 -0.04 1.67 -1.51 -1.82 -2.11 116.25 113.54 2kwb h VAL 71 Ca 0.01 -2.39 -0.10 0.00 -1.23 0.00 0.00 66.70 62.99 2kwb h VAL 71 Cb 0.40 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 2kwb h VAL 71 CO -0.20 0.69 -0.42 -0.07 -1.23 0.00 0.00 177.57 176.34 2kwb h LEU 72 N 0.10 0.08 0.00 4.19 3.38 -1.33 0.08 115.31 121.81 2kwb h LEU 72 Ca -0.02 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 2kwb h LEU 72 Cb 1.32 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 2kwb h LEU 72 CO 0.11 0.50 -1.54 -3.20 0.09 0.00 0.00 178.44 174.39 2kwb n ASN 73 N -4.03 0.82 -0.99 -0.43 5.15 -0.12 -4.05 115.26 111.61 2kwb n ASN 73 Ca -0.02 0.37 0.12 0.00 -0.60 0.00 0.00 54.58 54.45 2kwb n ASN 73 Cb 0.46 0.14 0.23 0.00 -0.53 0.00 0.00 39.78 40.08 2kwb n ASN 73 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2kwb n HIS 74 N -2.92 0.33 -3.11 1.20 -0.00 -0.80 -5.01 115.22 104.91 2kwb n HIS 74 Ca -0.13 -0.16 -0.03 0.00 0.46 0.00 0.00 57.72 57.86 2kwb n HIS 74 Cb 0.91 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.78 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kwb n LYS 75 N 1.23 -1.43 -5.14 1.57 5.02 -0.08 -4.93 118.16 114.41 2kwb n LYS 75 Ca 0.18 1.49 -0.29 0.00 -2.02 0.00 0.00 58.31 57.67 2kwb n LYS 75 Cb 0.55 -5.46 -0.16 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.96 2.04 0.11 -0.35 1.43 -0.65 -3.49 118.68 113.82 2kwb s LEU 76 Ca 0.02 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 2kwb s LEU 76 Cb -0.01 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 2kwb s LEU 76 CO 0.76 0.27 0.42 0.54 0.23 0.00 0.00 176.35 178.57 2kwb s VAL 77 N -0.44 5.07 -0.04 -1.59 0.11 -0.59 -4.81 120.40 118.12 2kwb s VAL 77 Ca 0.06 0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 2kwb s VAL 77 Cb -0.10 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 2kwb s VAL 77 CO 0.00 0.19 1.06 -1.83 -3.33 0.00 0.00 175.10 171.19 2kwb s GLU 78 N -2.17 4.46 -0.16 1.54 -1.05 -1.26 -2.42 118.70 117.63 2kwb s GLU 78 Ca 0.37 1.50 -0.05 0.00 -0.15 0.00 0.00 54.97 56.64 2kwb s GLU 78 Cb -0.13 -3.49 0.06 0.00 -0.44 0.00 0.00 34.13 30.12 2kwb s GLU 78 CO 0.20 -0.24 0.09 -1.64 0.95 0.00 0.00 175.26 174.62 2kwb s MET 79 N 1.59 0.06 0.45 -4.83 -1.94 0.12 -5.00 119.30 109.75 2kwb s MET 79 Ca 0.52 -0.04 0.03 0.00 -1.71 0.00 0.00 55.69 54.50 2kwb s MET 79 Cb -0.22 -1.72 0.01 0.00 2.01 0.00 0.00 34.83 34.91 2kwb s MET 79 CO 0.23 -0.65 0.64 -0.80 -0.01 0.00 0.00 175.02 174.44 2kwb s ASN 80 N 2.15 5.67 0.18 3.03 -0.87 -1.26 -0.43 114.94 123.41 2kwb s ASN 80 Ca 0.02 -0.01 -0.24 0.00 -1.57 0.00 0.00 52.86 51.06 2kwb s ASN 80 Cb -0.16 -1.14 0.08 0.00 -0.02 0.00 0.00 41.25 40.02 2kwb s ASN 80 CO -0.09 -0.78 1.56 0.00 -2.57 0.00 0.00 177.10 175.22 2kwb h TYR 82 N -0.15 0.32 0.02 0.00 -0.00 -1.95 0.18 116.97 115.39 2kwb h TYR 82 Ca 0.22 0.01 -0.38 0.00 -0.00 0.00 0.00 58.73 58.58 2kwb h TYR 82 Cb 0.55 -0.09 -0.06 0.00 -0.00 0.00 0.00 36.73 37.13 2kwb h TYR 82 CO -0.77 0.05 -2.35 -1.91 -0.00 0.00 0.00 178.16 173.18 2kwb n GLU 83 N -4.41 0.68 0.00 0.10 2.13 0.05 -4.45 120.64 114.73 2kwb n GLU 83 Ca 0.22 0.16 0.12 0.00 0.66 0.00 0.00 57.16 58.31 2kwb n GLU 83 Cb 0.92 -1.57 0.27 0.00 0.27 0.00 0.00 31.44 31.33 2kwb n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kwb n ASP 84 N -3.22 0.83 -0.35 4.31 2.03 0.25 -4.59 116.55 115.80 2kwb n ASP 84 Ca -0.40 -0.63 -0.09 0.00 0.52 0.00 0.00 54.79 54.18 2kwb n ASP 84 Cb 1.03 0.26 -0.08 0.00 -0.72 0.00 0.00 41.12 41.60 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kwb n ALA 85 N -1.07 -0.54 -0.06 -1.67 0.00 0.59 -0.40 120.51 117.37 2kwb n ALA 85 Ca 0.08 0.71 0.01 0.00 0.00 0.00 0.00 53.44 54.25 2kwb n ALA 85 Cb 0.35 -0.04 0.31 0.00 0.00 0.00 0.00 19.45 20.07 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 0.59 0.10 0.00 0.02 -1.86 -2.66 113.55 109.74 2kwb h SER 86 Ca 0.13 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2kwb h SER 86 Cb 0.34 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2kwb h SER 86 CO -0.79 0.53 -0.05 -0.03 -1.14 0.00 0.00 176.83 175.35 2kwb h MET 87 N 0.66 -0.12 0.00 3.45 1.85 -1.02 -2.73 114.93 117.02 2kwb h MET 87 Ca 0.16 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.24 2kwb h MET 87 Cb 0.11 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.16 2kwb h MET 87 CO -0.02 0.36 -0.12 0.27 -0.40 0.00 0.00 176.91 177.00 2kwb h PHE 88 N -0.92 0.00 -0.38 1.39 -5.15 -1.02 0.11 116.94 110.98 2kwb h PHE 88 Ca -0.01 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2kwb h PHE 88 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.69 2kwb h PHE 88 CO 0.11 0.12 0.11 -0.22 -2.00 0.00 0.00 178.31 176.43 2kwb h LYS 89 N 0.00 0.60 -0.57 6.09 3.64 -1.52 0.19 116.57 125.00 2kwb h LYS 89 Ca -0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 2kwb h LYS 89 Cb 0.27 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2kwb h LYS 89 CO 0.02 0.63 0.09 0.00 -2.27 0.00 0.00 179.45 177.91 2kwb h ALA 90 N 0.95 1.08 -0.13 5.00 0.00 -1.00 -2.01 119.26 123.15 2kwb h ALA 90 Ca 0.12 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kwb h ALA 90 Cb 0.28 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2kwb h ALA 90 CO -0.00 0.60 -0.10 -0.92 0.00 0.00 0.00 179.25 178.83 2kwb h TYR 91 N 0.87 -0.24 -0.77 0.00 3.20 -0.50 -1.10 116.97 118.43 2kwb h TYR 91 Ca 0.18 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.11 2kwb h TYR 91 Cb 0.39 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 2kwb h TYR 91 CO 0.02 -0.15 0.47 0.82 -1.64 0.00 0.00 178.16 177.68 2kwb h ILE 92 N -0.11 1.05 0.56 1.81 1.08 -0.42 -0.15 117.51 121.32 2kwb h ILE 92 Ca 0.08 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2kwb h ILE 92 Cb 0.23 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 34.08 2kwb h ILE 92 CO -0.20 0.16 -0.27 0.50 -0.69 0.00 0.00 178.15 177.66 2kwb h LYS 93 N 0.88 -0.72 -0.93 2.37 3.64 -1.04 0.13 116.57 120.91 2kwb h LYS 93 Ca 0.33 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2kwb h LYS 93 Cb 0.11 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2kwb h LYS 93 CO -0.15 -0.43 0.62 -0.22 -2.27 0.00 0.00 179.45 177.00 2kwb h LYS 94 N -0.89 1.22 0.88 1.90 3.64 -1.13 0.33 116.57 122.52 2kwb h LYS 94 Ca -0.08 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2kwb h LYS 94 Cb 0.62 -0.28 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2kwb h LYS 94 CO 0.13 0.81 -0.45 0.35 -2.27 0.00 0.00 179.45 178.01 2kwb h PHE 95 N 1.26 -1.18 -0.72 1.91 3.57 -0.97 -1.37 116.94 119.44 2kwb h PHE 95 Ca 0.34 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.94 2kwb h PHE 95 Cb -0.14 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 2kwb h PHE 95 CO -0.00 -0.71 0.31 1.98 -2.23 0.00 0.00 178.31 177.65 2kwb h MET 96 N -1.22 0.47 -0.04 1.11 4.05 -0.44 -1.44 114.93 117.43 2kwb h MET 96 Ca -0.12 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2kwb h MET 96 Cb 0.95 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2kwb h MET 96 CO 0.18 0.31 0.02 -0.22 0.23 0.00 0.00 176.91 177.44 2kwb h LYS 97 N 0.49 0.06 0.58 0.39 3.64 -0.91 -2.69 116.57 118.11 2kwb h LYS 97 Ca 0.38 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2kwb h LYS 97 Cb 0.51 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2kwb h LYS 97 CO -0.35 0.12 -0.28 -0.97 -2.27 0.00 0.00 179.45 175.71 2kwb h ASN 98 N -0.02 -0.66 -0.86 4.20 -0.73 -0.59 0.60 115.58 117.52 2kwb h ASN 98 Ca 0.01 -0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.24 2kwb h ASN 98 Cb 0.08 0.17 -0.06 0.00 0.27 0.00 0.00 38.32 38.78 2kwb h ASN 98 CO -0.00 -0.42 0.54 -0.37 -0.37 0.00 0.00 177.43 176.80 2kwb h VAL 99 N -0.84 1.06 -0.04 2.57 -1.51 -1.35 0.34 116.25 116.48 2kwb h VAL 99 Ca -0.08 -0.34 -0.21 0.00 -1.23 0.00 0.00 66.70 64.84 2kwb h VAL 99 Cb 0.62 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 2kwb h VAL 99 CO 0.13 0.18 -0.85 -0.29 -1.23 0.00 0.00 177.57 175.51 2kwb h ILE 100 N 0.99 1.38 0.00 7.19 6.09 -1.46 -1.87 117.51 129.84 2kwb h ILE 100 Ca 0.37 -2.28 0.00 0.00 -1.37 0.00 0.00 64.86 61.57 2kwb h ILE 100 Cb 0.14 2.26 0.00 0.00 0.47 0.00 0.00 36.82 39.69 2kwb h ILE 100 CO -0.16 0.69 0.00 -0.67 -3.07 0.00 0.00 178.15 174.94 2kwb n ASP 101 N -3.80 0.59 -0.00 2.19 2.03 0.20 -0.45 116.55 117.30 2kwb n ASP 101 Ca -0.06 0.61 -0.19 0.00 0.52 0.00 0.00 54.79 55.67 2kwb n ASP 101 Cb 0.78 -0.75 -0.14 0.00 -0.72 0.00 0.00 41.12 40.29 2kwb n ASP 101 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2kwb n HIS 102 N -2.11 1.20 -0.05 -0.67 -0.00 0.11 -4.18 115.22 109.52 2kwb n HIS 102 Ca 0.04 0.29 -0.04 0.00 0.46 0.00 0.00 57.72 58.46 2kwb n HIS 102 Cb 0.29 -1.17 -0.01 0.00 -0.12 0.00 0.00 29.99 28.98 2kwb n HIS 102 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2kwb n MET 103 N -3.38 0.34 0.24 1.57 2.81 -0.72 -4.54 117.12 113.43 2kwb n MET 103 Ca -0.29 0.36 0.15 0.00 -1.81 0.00 0.00 57.70 56.11 2kwb n MET 103 Cb 1.05 -1.34 0.83 0.00 -0.71 0.00 0.00 33.22 33.04 2kwb n MET 103 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2kwb h GLU 104 N -0.71 0.00 -0.47 0.03 4.81 -0.99 -0.56 114.58 116.68 2kwb h GLU 104 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2kwb h GLU 104 Cb 0.47 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2kwb h GLU 104 CO 0.00 0.00 0.23 -0.22 -0.73 0.00 0.00 179.01 178.29 2kwb h LYS 105 N 0.00 0.44 0.00 1.92 3.64 -1.72 -2.61 116.57 118.24 2kwb h LYS 105 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2kwb h LYS 105 Cb 0.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2kwb h LYS 105 CO -0.00 0.29 -1.05 0.27 -2.27 0.00 0.00 179.45 176.69 2kwb n ASN 106 N -4.91 1.24 -0.01 4.20 6.94 -0.94 -4.76 115.26 117.02 2kwb n ASN 106 Ca 0.03 -0.44 -0.01 0.00 -0.02 0.00 0.00 54.58 54.15 2kwb n ASN 106 Cb 0.13 1.27 -0.00 0.00 -2.36 0.00 0.00 39.78 38.82 2kwb n ASN 106 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kwb n ASN 107 N -1.60 0.20 -0.27 0.53 2.85 -0.26 -4.97 115.26 111.74 2kwb n ASN 107 Ca 0.00 0.22 -0.03 0.00 -0.11 0.00 0.00 54.58 54.66 2kwb n ASN 107 Cb 0.26 -0.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.73 2kwb n ASN 107 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2kwb n ARG 108 N -2.57 -1.60 -2.44 1.20 0.63 -0.99 -4.94 116.66 105.96 2kwb n ARG 108 Ca -0.01 0.56 -0.43 0.00 -0.92 0.00 0.00 57.85 57.05 2kwb n ARG 108 Cb 0.04 -4.82 -0.02 0.00 0.45 0.00 0.00 32.46 28.10 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 -2.16 6.96 0.15 6.15 2.15 -1.26 -4.89 116.67 123.78 2kwb s ASP 109 Ca 0.00 1.68 0.09 0.00 0.43 0.00 0.00 52.55 54.75 2kwb s ASP 109 Cb 0.00 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.58 2kwb s ASP 109 CO 0.00 -0.74 1.24 0.29 -0.17 0.00 0.00 175.17 175.79 2kwb n LYS 110 N 6.50 0.06 -0.10 4.34 4.01 -1.26 -2.01 118.16 129.69 2kwb n LYS 110 Ca 0.14 0.53 -0.18 0.00 -0.51 0.00 0.00 58.31 58.28 2kwb n LYS 110 Cb 0.45 -1.77 -0.08 0.00 -0.51 0.00 0.00 35.03 33.12 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kwb n ALA 111 N -1.58 0.81 0.12 7.82 0.00 -1.26 -4.28 120.51 122.14 2kwb n ALA 111 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 2kwb n ALA 111 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 2kwb n ALA 111 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kwb h ASP 112 N -1.00 -0.34 0.03 0.00 3.58 -1.81 -2.35 116.42 114.53 2kwb h ASP 112 Ca -0.31 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 2kwb h ASP 112 Cb 1.16 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kwb h ASP 112 CO -0.19 0.11 -0.02 -0.37 -2.88 0.00 0.00 179.24 175.89 2kwb h VAL 113 N -1.10 0.67 0.25 2.25 -1.51 -1.79 -0.96 116.25 114.05 2kwb h VAL 113 Ca -0.04 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.36 2kwb h VAL 113 Cb 0.31 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2kwb h VAL 113 CO 0.07 0.02 -0.12 -0.78 -1.23 0.00 0.00 177.57 175.52 2kwb h ASP 114 N 0.00 -0.28 -0.70 4.19 3.58 -1.70 -0.29 116.42 121.22 2kwb h ASP 114 Ca -0.00 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.36 2kwb h ASP 114 Cb 0.04 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.10 2kwb h ASP 114 CO 0.00 -0.00 0.40 0.00 -2.88 0.00 0.00 179.24 176.76 2kwb h ALA 115 N 0.10 0.95 0.89 -0.78 0.00 -0.74 0.31 119.26 119.99 2kwb h ALA 115 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kwb h ALA 115 Cb 0.42 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kwb h ALA 115 CO 0.06 0.07 -0.43 0.35 0.00 0.00 0.00 179.25 179.30 2kwb h PHE 116 N 0.72 -1.11 -0.66 0.00 3.57 -1.21 -0.50 116.94 117.75 2kwb h PHE 116 Ca 0.32 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.87 2kwb h PHE 116 Cb 0.21 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2kwb h PHE 116 CO -0.07 -0.68 0.44 -0.22 -2.23 0.00 0.00 178.31 175.54 2kwb h LYS 117 N -1.25 0.58 -0.43 1.11 3.64 -0.87 -1.38 116.57 117.97 2kwb h LYS 117 Ca -0.12 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 2kwb h LYS 117 Cb 0.92 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2kwb h LYS 117 CO 0.20 0.38 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.25 2kwb h LYS 118 N 0.60 0.97 -0.38 1.90 3.64 -0.26 0.11 116.57 123.15 2kwb h LYS 118 Ca 0.30 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2kwb h LYS 118 Cb 0.38 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2kwb h LYS 118 CO -0.10 1.13 0.03 0.87 -2.27 0.00 0.00 179.45 179.11 2kwb h LYS 119 N 0.80 0.65 -0.39 1.90 1.57 -0.36 -0.17 116.57 120.57 2kwb h LYS 119 Ca 0.09 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2kwb h LYS 119 Cb 0.88 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2kwb h LYS 119 CO 0.08 0.73 0.20 0.82 -0.57 0.00 0.00 179.45 180.71 2kwb h ILE 120 N 0.48 1.16 0.02 1.86 1.08 -1.19 0.21 117.51 121.13 2kwb h ILE 120 Ca 0.11 -0.44 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 2kwb h ILE 120 Cb 0.41 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2kwb h ILE 120 CO 0.01 0.17 -0.07 -0.61 -0.69 0.00 0.00 178.15 176.97 2kwb h GLN 121 N 0.50 -0.12 -0.57 2.37 -0.00 -0.70 -0.90 115.11 115.68 2kwb h GLN 121 Ca 0.14 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.76 2kwb h GLN 121 Cb 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.57 2kwb h GLN 121 CO -0.02 -0.08 0.21 0.78 0.00 0.00 0.00 178.83 179.72 2kwb h GLY 122 N -0.13 0.90 0.98 2.39 0.00 -0.93 -2.33 103.07 103.95 2kwb h GLY 122 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2kwb h GLY 122 CO -0.05 0.44 -0.30 -0.25 0.00 0.00 0.00 176.54 176.37 2kwb h TRP 123 N 0.82 -0.79 -0.58 5.60 7.01 -0.15 -2.08 115.95 125.79 2kwb h TRP 123 Ca 0.19 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 2kwb h TRP 123 Cb 0.19 0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 2kwb h TRP 123 CO 0.01 -0.48 0.22 -0.39 -2.79 0.00 0.00 178.44 175.02 2kwb h VAL 124 N -0.88 1.23 -0.73 2.65 -1.51 -1.17 0.31 116.25 116.15 2kwb h VAL 124 Ca -0.09 -0.72 0.01 0.00 -1.23 0.00 0.00 66.70 64.67 2kwb h VAL 124 Cb 0.66 0.62 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 2kwb h VAL 124 CO 0.14 0.28 0.49 0.58 -1.23 0.00 0.00 177.57 177.83 2kwb h VAL 125 N 0.80 1.18 0.08 7.19 2.07 -1.43 -0.33 116.25 125.81 2kwb h VAL 125 Ca 0.19 -0.34 -0.29 0.00 0.82 0.00 0.00 66.70 67.09 2kwb h VAL 125 Cb 0.22 0.11 0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2kwb h VAL 125 CO -0.01 0.18 -1.17 -1.28 0.02 0.00 0.00 177.57 175.30 2kwb h SER 126 N 0.98 0.87 0.14 0.57 0.87 -1.08 -3.29 113.55 112.61 2kwb h SER 126 Ca 0.27 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 2kwb h SER 126 Cb -0.09 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.60 2kwb h SER 126 CO -0.06 1.57 -0.10 0.25 -0.53 0.00 0.00 176.83 177.95 2kwb h LEU 127 N 0.31 0.00 -1.31 2.23 5.85 0.29 -1.35 115.31 121.33 2kwb h LEU 127 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2kwb h LEU 127 Cb 1.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2kwb h LEU 127 CO 0.22 0.10 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 2kwb n LEU 128 N -4.18 2.00 -4.59 2.25 4.77 -0.19 -4.77 117.00 112.28 2kwb n LEU 128 Ca -0.03 -0.74 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 2kwb n LEU 128 Cb 0.18 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2kwb n LEU 128 CO 0.33 0.37 1.60 0.00 -1.33 0.00 0.00 177.39 178.37 2kwb s ALA 129 N -1.89 2.70 0.04 -1.18 0.00 -0.51 -4.86 121.76 116.06 2kwb s ALA 129 Ca 0.35 0.19 0.29 0.00 0.00 0.00 0.00 51.96 52.79 2kwb s ALA 129 Cb 0.20 -4.08 1.54 0.00 0.00 0.00 0.00 23.12 20.78 2kwb s ALA 129 CO 0.31 -2.91 1.89 1.57 0.00 0.00 0.00 175.76 176.62 2kwb h LYS 130 N 13.75 0.00 -0.33 0.00 -0.00 -1.90 -1.68 116.57 126.42 2kwb h LYS 130 Ca -0.33 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.38 2kwb h LYS 130 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.36 2kwb h LYS 130 CO 1.05 0.00 0.00 0.22 -0.00 0.00 0.00 179.45 180.73 2kwb h ASP 131 N 0.00 -0.12 0.00 7.07 1.82 -1.96 -3.06 116.42 120.16 2kwb h ASP 131 Ca 0.00 0.07 -0.18 0.00 -0.39 0.00 0.00 57.03 56.53 2kwb h ASP 131 Cb 0.06 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.17 2kwb h ASP 131 CO 0.00 -0.03 -1.66 -1.14 -1.61 0.00 0.00 179.24 174.80 2kwb n ARG 132 N -5.17 0.28 0.00 0.28 3.00 -1.18 -4.76 116.66 109.10 2kwb n ARG 132 Ca 0.01 0.08 0.10 0.00 -0.00 0.00 0.00 57.85 58.04 2kwb n ARG 132 Cb 0.17 -1.13 0.51 0.00 0.00 0.00 0.00 32.46 32.00 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwb n PHE 133 N -3.07 0.00 0.10 -0.14 3.01 -0.64 -1.83 117.46 114.90 2kwb n PHE 133 Ca -0.21 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.27 2kwb n PHE 133 Cb 0.70 -0.36 0.40 0.00 -0.01 0.00 0.00 39.48 40.20 2kwb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2kwb h LYS 134 N 0.00 0.28 -1.20 -1.08 1.63 -1.66 -3.03 116.57 111.51 2kwb h LYS 134 Ca 0.00 -0.06 -0.28 0.00 -0.85 0.00 0.00 60.65 59.46 2kwb h LYS 134 Cb 0.26 -0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 31.70 2kwb h LYS 134 CO 0.00 0.37 0.36 0.09 -3.45 0.00 0.00 179.45 176.82 2kwb n ASN 135 N -4.31 4.59 -4.90 4.20 4.13 -0.76 -4.70 115.26 113.51 2kwb n ASN 135 Ca -0.00 -2.90 -0.28 0.00 1.68 0.00 0.00 54.58 53.08 2kwb n ASN 135 Cb 0.24 -0.82 -0.02 0.00 -1.54 0.00 0.00 39.78 37.64 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kwb s LEU 136 N -1.70 3.88 -0.21 3.41 1.43 -1.15 -4.84 118.68 119.51 2kwb s LEU 136 Ca 0.29 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2kwb s LEU 136 Cb 0.24 -3.71 0.05 0.00 0.03 0.00 0.00 46.19 42.80 2kwb s LEU 136 CO 0.03 -0.37 -0.07 0.00 0.23 0.00 0.00 176.35 176.18 2kwb s ALA 137 N -2.37 1.83 -0.06 4.21 0.00 -1.07 -4.15 121.76 120.15 2kwb s ALA 137 Ca 0.46 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2kwb s ALA 137 Cb -0.10 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2kwb s ALA 137 CO 0.35 -0.98 0.51 -0.06 0.00 0.00 0.00 175.76 175.58 2kwb s PHE 138 N 1.47 3.60 -0.13 0.00 0.08 0.43 -1.69 117.98 121.74 2kwb s PHE 138 Ca -0.03 1.01 0.02 0.00 0.12 0.00 0.00 56.93 58.06 2kwb s PHE 138 Cb -0.17 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.75 2kwb s PHE 138 CO -0.07 0.29 -0.20 -0.06 -0.10 0.00 0.00 175.22 175.08 2kwb s PHE 139 N 0.14 2.41 0.18 0.36 0.40 -0.31 0.13 117.98 121.29 2kwb s PHE 139 Ca 0.28 -1.18 0.08 0.00 -0.60 0.00 0.00 56.93 55.51 2kwb s PHE 139 Cb -0.16 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2kwb s PHE 139 CO 0.13 -0.56 -0.07 -1.50 0.70 0.00 0.00 175.22 173.93 2kwb s ILE 140 N 0.86 3.34 0.43 0.64 2.07 -1.02 -0.50 121.20 127.02 2kwb s ILE 140 Ca -0.07 -1.60 -0.25 0.00 -1.41 0.00 0.00 60.65 57.31 2kwb s ILE 140 Cb -0.15 -2.67 -0.09 0.00 0.13 0.00 0.00 42.46 39.68 2kwb s ILE 140 CO -0.01 -0.12 1.28 0.61 -1.91 0.00 0.00 174.94 174.79 2kwb n GLY 141 N -0.03 0.56 0.36 1.50 0.00 -1.25 -1.54 105.19 104.79 2kwb n GLY 141 Ca -0.10 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.19 2kwb n GLY 141 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kwb h GLU 142 N 2.05 0.88 0.12 1.61 4.11 -1.91 0.15 114.58 121.59 2kwb h GLU 142 Ca -0.48 -0.05 -0.29 0.00 0.07 0.00 0.00 59.36 58.61 2kwb h GLU 142 Cb 1.29 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.37 2kwb h GLU 142 CO 0.60 0.58 -1.23 0.00 0.07 0.00 0.00 179.01 179.03 2kwb h ARG 143 N 0.90 0.52 0.00 1.06 3.08 -1.92 -3.27 114.38 114.77 2kwb h ARG 143 Ca 0.53 -0.73 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 2kwb h ARG 143 Cb 0.65 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 2kwb h ARG 143 CO -0.31 1.32 -0.63 0.00 -1.07 0.00 0.00 179.97 179.28 2kwb h ALA 144 N 0.39 0.81 -1.00 0.04 0.00 -1.77 -3.35 119.26 114.38 2kwb h ALA 144 Ca -0.17 -0.57 0.22 0.00 0.00 0.00 0.00 54.91 54.38 2kwb h ALA 144 Cb 1.91 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.49 2kwb h ALA 144 CO 0.23 0.79 0.62 0.00 0.00 0.00 0.00 179.25 180.88 2kwb h ALA 145 N 1.37 1.86 0.00 0.00 0.00 -0.75 0.22 119.26 121.96 2kwb h ALA 145 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kwb h ALA 145 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kwb h ALA 145 CO 0.08 -0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.22 2kwb n GLU 146 N -4.74 0.68 0.00 0.00 0.28 -1.26 -4.62 120.64 110.98 2kwb n GLU 146 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 2kwb n GLU 146 Cb 0.69 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.37 2kwb n GLU 146 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kwb n GLY 147 N 0.24 0.34 3.55 -1.84 0.00 -0.81 -5.10 105.19 101.59 2kwb n GLY 147 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.57 -1.02 4.61 0.00 0.71 -4.84 121.76 123.78 2kwb s ALA 148 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2kwb s ALA 148 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2kwb s ALA 148 CO 0.00 -3.63 0.36 0.39 0.00 0.00 0.00 175.76 172.88 2kwb n GLU 149 N 9.12 0.71 -0.10 0.00 1.02 -1.26 -2.42 120.64 127.72 2kwb n GLU 149 Ca 0.20 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 2kwb n GLU 149 Cb 0.50 -1.35 0.10 0.00 -0.02 0.00 0.00 31.44 30.67 2kwb n GLU 149 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kwb n ASN 150 N 0.13 2.44 -4.77 1.62 5.15 -1.26 -4.91 115.26 113.66 2kwb n ASN 150 Ca 0.00 -1.76 -0.28 0.00 -0.60 0.00 0.00 54.58 51.94 2kwb n ASN 150 Cb 0.18 -0.13 0.10 0.00 -0.53 0.00 0.00 39.78 39.40 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kwb s GLY 151 N -0.94 1.65 -0.31 8.20 0.00 -1.01 -3.56 107.32 111.35 2kwb s GLY 151 Ca 0.17 -0.85 -0.23 0.00 0.00 0.00 0.00 44.72 43.81 2kwb s GLY 151 CO 0.14 -0.33 0.79 1.62 0.00 0.00 0.00 173.10 175.31 2kwb s GLN 152 N -5.53 3.95 -0.54 2.90 0.74 -1.26 -4.86 119.66 115.06 2kwb s GLN 152 Ca 0.64 0.56 -0.26 0.00 0.05 0.00 0.00 55.36 56.35 2kwb s GLN 152 Cb -0.10 -3.73 0.03 0.00 1.10 0.00 0.00 33.01 30.31 2kwb s GLN 152 CO 0.48 -0.69 1.04 0.08 -0.55 0.00 0.00 175.29 175.66 2kwb s VAL 153 N 2.96 4.26 -0.30 1.34 1.01 -1.26 -3.95 120.40 124.46 2kwb s VAL 153 Ca 0.32 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.71 2kwb s VAL 153 Cb -0.14 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.66 2kwb s VAL 153 CO 0.13 -1.13 0.98 0.00 0.00 0.00 0.00 175.10 175.08 2kwb s ALA 154 N 4.31 3.55 -0.55 5.51 0.00 0.35 -4.87 121.76 130.05 2kwb s ALA 154 Ca 0.38 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.99 2kwb s ALA 154 Cb -0.10 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.54 2kwb s ALA 154 CO 0.24 -1.31 0.83 0.42 0.00 0.00 0.00 175.76 175.95 2kwb s ILE 155 N 3.34 4.55 -0.30 0.00 1.01 -1.07 -1.17 121.20 127.57 2kwb s ILE 155 Ca 0.41 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.83 2kwb s ILE 155 Cb -0.13 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 2kwb s ILE 155 CO 0.13 -1.04 0.48 -0.63 0.00 0.00 0.00 174.94 173.88 2kwb s ILE 156 N 3.49 5.07 -0.12 2.92 -1.09 -0.68 -0.40 121.20 130.39 2kwb s ILE 156 Ca 0.24 0.57 0.01 0.00 -2.23 0.00 0.00 60.65 59.24 2kwb s ILE 156 Cb -0.15 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2kwb s ILE 156 CO 0.16 -0.03 -0.16 -0.70 -1.23 0.00 0.00 174.94 172.98 2kwb s GLU 157 N 2.28 3.28 -0.95 2.79 -6.30 -0.46 -2.60 118.70 116.75 2kwb s GLU 157 Ca 0.18 -0.74 -0.18 0.00 -2.50 0.00 0.00 54.97 51.73 2kwb s GLU 157 Cb -0.16 -2.55 0.14 0.00 0.00 0.00 0.00 34.13 31.57 2kwb s GLU 157 CO 0.11 0.18 1.13 0.71 0.02 0.00 0.00 175.26 177.41 2kwb s TYR 158 N 0.40 3.22 0.28 5.30 2.02 -1.26 -0.12 117.35 127.18 2kwb s TYR 158 Ca -0.12 -1.53 0.02 0.00 -0.37 0.00 0.00 57.07 55.07 2kwb s TYR 158 Cb -0.16 -4.24 -0.03 0.00 -0.40 0.00 0.00 41.96 37.12 2kwb s TYR 158 CO 0.06 -1.43 0.44 0.50 -1.57 0.00 0.00 175.55 173.55 2kwb s ARG 159 N 2.33 3.47 -0.14 -0.62 3.52 -0.37 -4.89 118.95 122.25 2kwb s ARG 159 Ca 0.32 -0.52 -0.05 0.00 -0.13 0.00 0.00 55.73 55.36 2kwb s ARG 159 Cb -0.05 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2kwb s ARG 159 CO -0.09 0.31 0.04 0.34 -0.81 0.00 0.00 175.30 175.09 2kwb s ASP 160 N -3.86 5.48 -0.31 -2.12 -1.08 -1.26 -1.02 116.67 112.50 2kwb s ASP 160 Ca 0.37 0.11 0.03 0.00 -0.52 0.00 0.00 52.55 52.54 2kwb s ASP 160 Cb -0.10 -1.80 0.08 0.00 -1.46 0.00 0.00 42.92 39.64 2kwb s ASP 160 CO 0.32 0.26 -0.01 -0.69 0.52 0.00 0.00 175.17 175.57 2kwb s VAL 161 N -0.17 2.35 0.00 1.11 1.01 0.09 -4.76 120.40 120.03 2kwb s VAL 161 Ca 0.06 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.07 2kwb s VAL 161 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2kwb s VAL 161 CO 0.02 -0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.25 2kwb n ASP 162 N 4.37 -5.79 0.00 3.32 8.00 -1.26 -0.60 116.55 124.60 2kwb n ASP 162 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2kwb n ASP 162 Cb 0.42 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 163 N 0.85 1.01 3.53 0.44 0.00 -1.26 -5.12 105.19 104.64 2kwb n GLY 163 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -2.00 4.10 -0.34 2.61 2.01 0.24 -5.08 115.64 117.18 2kwb s THR 164 Ca 0.00 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2kwb s THR 164 Cb 0.00 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 2kwb s THR 164 CO 0.00 0.49 1.43 -1.83 -0.69 0.00 0.00 174.62 174.02 2kwb s GLU 165 N 0.32 3.71 -0.14 4.92 -1.05 -1.26 -0.73 118.70 124.47 2kwb s GLU 165 Ca -0.02 1.18 -0.00 0.00 -0.15 0.00 0.00 54.97 55.98 2kwb s GLU 165 Cb -0.14 -3.99 0.03 0.00 -0.44 0.00 0.00 34.13 29.60 2kwb s GLU 165 CO 0.02 -1.39 -0.06 0.14 0.95 0.00 0.00 175.26 174.92 2kwb s VAL 166 N 5.13 1.08 -0.26 1.83 -7.23 -0.19 -4.81 120.40 115.95 2kwb s VAL 166 Ca 0.62 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 2kwb s VAL 166 Cb -0.17 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 2kwb s VAL 166 CO 0.29 0.24 1.51 -2.16 -0.31 0.00 0.00 175.10 174.66 2kwb s PRO 167 N 1.67 3.81 -0.20 4.82 0.04 -1.26 -1.24 135.00 142.64 2kwb s PRO 167 Ca 0.03 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.45 2kwb s PRO 167 Cb -0.14 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2kwb s PRO 167 CO -0.08 -1.27 0.11 0.95 0.04 0.00 0.00 177.00 176.75 2kwb s THR 168 N 5.00 5.22 -0.21 1.26 -4.23 0.83 -1.74 115.64 121.77 2kwb s THR 168 Ca 0.66 0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 61.09 2kwb s THR 168 Cb -0.21 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 2kwb s THR 168 CO 0.27 0.43 0.61 -0.22 -0.54 0.00 0.00 174.62 175.17 2kwb s LEU 169 N 0.47 4.13 -0.22 4.79 2.96 0.06 -1.35 118.68 129.52 2kwb s LEU 169 Ca 0.07 0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 2kwb s LEU 169 Cb -0.12 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 2kwb s LEU 169 CO -0.01 -0.27 0.10 -0.32 -1.32 0.00 0.00 176.35 174.53 2kwb s MET 170 N 1.97 3.91 0.02 1.98 -2.45 0.46 -0.62 119.30 124.59 2kwb s MET 170 Ca 0.27 -0.36 -0.02 0.00 -1.25 0.00 0.00 55.69 54.34 2kwb s MET 170 Cb -0.16 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 2kwb s MET 170 CO 0.10 0.07 0.00 -0.51 1.05 0.00 0.00 175.02 175.73 2kwb s LEU 171 N 0.95 2.16 -0.31 4.11 1.43 -0.81 -2.60 118.68 123.62 2kwb s LEU 171 Ca 0.05 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 2kwb s LEU 171 Cb -0.14 0.23 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 2kwb s LEU 171 CO 0.03 -0.38 0.65 -0.69 0.23 0.00 0.00 176.35 176.19 2kwb s VAL 172 N -1.96 4.92 0.47 -1.59 1.01 -1.26 -0.25 120.40 121.73 2kwb s VAL 172 Ca -0.11 0.89 0.12 0.00 0.00 0.00 0.00 61.98 62.88 2kwb s VAL 172 Cb -0.06 -4.02 0.27 0.00 0.00 0.00 0.00 36.38 32.57 2kwb s VAL 172 CO -0.03 -0.15 2.11 0.50 0.00 0.00 0.00 175.10 177.53 2kwb h LYS 173 N 8.18 0.24 -0.30 2.72 3.11 -0.27 -0.06 116.57 130.18 2kwb h LYS 173 Ca -0.26 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 2kwb h LYS 173 Cb 1.12 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2kwb h LYS 173 CO 0.81 0.16 0.00 0.39 -2.81 0.00 0.00 179.45 178.00 2kwb n GLU 174 N -4.51 1.55 0.00 1.90 -0.58 -1.20 -3.97 120.64 113.83 2kwb n GLU 174 Ca -0.00 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 2kwb n GLU 174 Cb 0.09 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kwb n ALA 175 N 0.09 2.19 -2.77 0.62 0.00 -0.38 -4.89 120.51 115.37 2kwb n ALA 175 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 2kwb n ALA 175 Cb 0.22 0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 2kwb n ALA 175 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2kwb s ILE 176 N -1.71 5.40 0.10 0.00 2.07 -0.18 -0.16 121.20 126.73 2kwb s ILE 176 Ca 0.00 0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.48 2kwb s ILE 176 Cb 0.00 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 39.12 2kwb s ILE 176 CO 0.00 0.48 -0.13 -0.51 -1.91 0.00 0.00 174.94 172.87 2kwb s ILE 177 N 0.06 1.22 0.55 2.00 1.10 0.23 -4.67 121.20 121.68 2kwb s ILE 177 Ca 0.09 -1.60 -0.18 0.00 -0.51 0.00 0.00 60.65 58.45 2kwb s ILE 177 Cb -0.11 -1.39 -0.05 0.00 0.15 0.00 0.00 42.46 41.06 2kwb s ILE 177 CO -0.01 -0.39 1.07 -1.61 -2.11 0.00 0.00 174.94 171.90 2kwb s GLU 178 N -2.45 3.44 -0.02 3.50 2.02 -1.26 -2.07 118.70 121.86 2kwb s GLU 178 Ca 0.06 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.42 2kwb s GLU 178 Cb -0.06 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.15 2kwb s GLU 178 CO 0.02 -0.73 0.01 -2.00 0.02 0.00 0.00 175.26 172.58 2kwb s GLU 179 N -3.61 0.12 -0.32 1.61 2.56 0.15 -4.91 118.70 114.30 2kwb s GLU 179 Ca 0.67 0.08 -0.10 0.00 0.00 0.00 0.00 54.97 55.62 2kwb s GLU 179 Cb -0.18 -0.28 -0.01 0.00 2.00 0.00 0.00 34.13 35.67 2kwb s GLU 179 CO 0.29 -0.09 0.17 -1.59 -0.56 0.00 0.00 175.26 173.48 2kwb s LYS 180 N 0.70 3.31 -0.41 4.30 -2.85 -1.26 -2.21 119.74 121.32 2kwb s LYS 180 Ca -0.06 -0.75 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 2kwb s LYS 180 Cb -0.09 -3.63 0.14 0.00 -2.06 0.00 0.00 37.83 32.19 2kwb s LYS 180 CO -0.02 -0.45 0.23 0.00 0.10 0.00 0.00 175.35 175.21 2kwb s LEU 182 N 0.61 4.29 0.00 0.00 1.43 -1.26 -4.89 118.68 118.86 2kwb s LEU 182 Ca 0.18 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.72 2kwb s LEU 182 Cb -0.23 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2kwb s LEU 182 CO 0.00 -0.31 0.00 -1.84 0.23 0.00 0.00 176.35 174.44