#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 1.49 -0.29 -0.89 2.96 0.97 -4.65 118.68 118.27 2kwb s LEU 2 Ca 0.00 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2kwb s LEU 2 Cb 0.00 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 2kwb s LEU 2 CO 0.00 -0.02 0.13 -0.63 -1.32 0.00 0.00 176.35 174.51 2kwb s ILE 3 N 0.67 4.64 -0.02 6.68 1.01 -1.03 0.00 121.20 133.15 2kwb s ILE 3 Ca -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.34 2kwb s ILE 3 Cb -0.12 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2kwb s ILE 3 CO 0.00 0.18 -0.07 -0.72 0.00 0.00 0.00 174.94 174.33 2kwb s TYR 4 N 1.64 2.89 -0.17 3.97 1.13 0.76 0.35 117.35 127.93 2kwb s TYR 4 Ca 0.06 -0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 2kwb s TYR 4 Cb -0.16 -1.64 0.06 0.00 -1.10 0.00 0.00 41.96 39.12 2kwb s TYR 4 CO 0.06 0.35 0.06 -1.59 -2.51 0.00 0.00 175.55 171.92 2kwb s LYS 5 N -1.20 0.33 0.75 -3.49 -2.85 -0.21 -2.56 119.74 110.51 2kwb s LYS 5 Ca 0.15 -0.19 -0.06 0.00 -1.00 0.00 0.00 55.97 54.88 2kwb s LYS 5 Cb -0.11 -1.83 0.11 0.00 -2.06 0.00 0.00 37.83 33.94 2kwb s LYS 5 CO 0.05 -0.62 1.05 -0.51 0.10 0.00 0.00 175.35 175.43 2kwb s ASP 6 N 2.01 4.32 0.39 0.03 1.11 -1.26 -1.99 116.67 121.28 2kwb s ASP 6 Ca 0.01 0.09 0.17 0.00 0.18 0.00 0.00 52.55 53.00 2kwb s ASP 6 Cb -0.16 -0.54 0.82 0.00 1.07 0.00 0.00 42.92 44.11 2kwb s ASP 6 CO -0.08 -1.90 1.83 0.40 1.18 0.00 0.00 175.17 176.61 2kwb h ILE 7 N -0.74 1.06 0.02 0.77 2.04 -1.61 -3.27 117.51 115.78 2kwb h ILE 7 Ca -0.41 -1.26 -0.39 0.00 1.00 0.00 0.00 64.86 63.80 2kwb h ILE 7 Cb 1.28 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 39.02 2kwb h ILE 7 CO 0.48 0.34 -2.29 0.49 0.00 0.00 0.00 178.15 177.16 2kwb n PHE 8 N -3.86 0.32 1.32 1.37 3.01 -1.26 -4.52 117.46 113.84 2kwb n PHE 8 Ca -0.01 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2kwb n PHE 8 Cb 0.41 -1.04 0.02 0.00 -0.01 0.00 0.00 39.48 38.87 2kwb n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2kwb n THR 9 N -3.71 0.11 -0.04 4.37 -2.24 -1.25 -4.22 114.28 107.30 2kwb n THR 9 Ca -0.45 -0.07 0.19 0.00 -2.27 0.00 0.00 64.05 61.46 2kwb n THR 9 Cb 0.94 -0.26 0.64 0.00 -2.10 0.00 0.00 70.33 69.55 2kwb n THR 9 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2kwb h ASP 10 N 0.22 0.10 -0.08 3.42 2.03 -1.79 0.40 116.42 120.71 2kwb h ASP 10 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.13 2kwb h ASP 10 Cb 0.35 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2kwb h ASP 10 CO 0.02 0.05 -0.59 -0.78 -1.03 0.00 0.00 179.24 176.91 2kwb h ASP 11 N 0.10 0.77 -0.64 4.15 3.58 -1.93 -3.24 116.42 119.20 2kwb h ASP 11 Ca 0.28 -0.43 -0.21 0.00 0.42 0.00 0.00 57.03 57.08 2kwb h ASP 11 Cb 0.96 -0.22 -0.13 0.00 1.72 0.00 0.00 39.33 41.66 2kwb h ASP 11 CO -0.03 1.19 0.27 1.21 -2.88 0.00 0.00 179.24 179.00 2kwb n GLU 12 N -3.96 3.10 -0.69 0.28 4.07 0.13 -5.00 120.64 118.57 2kwb n GLU 12 Ca -0.04 -2.51 -0.29 0.00 -0.06 0.00 0.00 57.16 54.26 2kwb n GLU 12 Cb 0.64 -2.05 -0.07 0.00 -0.06 0.00 0.00 31.44 29.91 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2kwb n LEU 13 N -0.17 0.33 -4.66 4.31 -0.00 -0.48 -4.87 117.00 111.45 2kwb n LEU 13 Ca 0.36 0.28 -0.30 0.00 -0.00 0.00 0.00 56.01 56.36 2kwb n LEU 13 Cb 1.25 -0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 44.10 2kwb n LEU 13 CO 0.38 -0.40 -0.26 -0.55 -0.00 0.00 0.00 177.39 176.57 2kwb s SER 14 N 3.59 3.71 -0.15 1.96 0.15 -1.06 -5.00 113.70 116.90 2kwb s SER 14 Ca 0.65 -1.56 -0.09 0.00 0.70 0.00 0.00 55.95 55.66 2kwb s SER 14 Cb -0.75 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 63.83 2kwb s SER 14 CO 0.32 -0.73 0.37 -0.94 1.20 0.00 0.00 173.24 173.46 2kwb s SER 15 N -3.76 -0.45 0.00 5.45 1.04 -1.26 -0.17 113.70 114.55 2kwb s SER 15 Ca 0.19 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2kwb s SER 15 Cb 0.05 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2kwb s SER 15 CO 0.10 -0.18 0.00 -0.90 0.98 0.00 0.00 173.24 173.24 2kwb n ASP 16 N 4.13 1.60 -1.19 7.02 5.75 0.10 -4.88 116.55 129.08 2kwb n ASP 16 Ca -0.23 -0.28 -0.03 0.00 -0.01 0.00 0.00 54.79 54.25 2kwb n ASP 16 Cb 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 2kwb n ASP 16 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2kwb n SER 17 N -0.39 -0.23 -4.68 -1.12 7.64 -1.26 -0.02 113.62 113.56 2kwb n SER 17 Ca 0.00 -2.00 -0.32 0.00 1.01 0.00 0.00 58.87 57.56 2kwb n SER 17 Cb 0.00 0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kwb s PHE 18 N 0.00 3.04 0.77 1.43 0.08 -1.26 -4.87 117.98 117.18 2kwb s PHE 18 Ca 0.13 0.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.11 2kwb s PHE 18 Cb 0.15 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 2kwb s PHE 18 CO -0.06 0.46 1.10 -1.25 -0.10 0.00 0.00 175.22 175.37 2kwb s PRO 19 N -1.75 2.19 -0.05 0.24 0.04 -1.26 -5.08 135.00 129.33 2kwb s PRO 19 Ca 0.21 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 2kwb s PRO 19 Cb -0.12 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2kwb s PRO 19 CO 0.12 -1.71 0.10 0.00 0.04 0.00 0.00 177.00 175.55 2kwb s MET 20 N -4.73 0.03 -0.61 4.56 0.23 -1.26 -4.93 119.30 112.59 2kwb s MET 20 Ca 0.63 0.32 -0.16 0.00 -1.03 0.00 0.00 55.69 55.45 2kwb s MET 20 Cb -0.19 -0.23 0.14 0.00 -1.53 0.00 0.00 34.83 33.03 2kwb s MET 20 CO 0.54 -0.18 0.60 0.15 -2.03 0.00 0.00 175.02 174.09 2kwb s LYS 21 N 1.26 3.13 -0.93 3.16 -0.14 -0.65 -4.89 119.74 120.68 2kwb s LYS 21 Ca -0.08 -1.79 -0.24 0.00 -1.36 0.00 0.00 55.97 52.51 2kwb s LYS 21 Cb -0.12 -4.33 0.00 0.00 -1.68 0.00 0.00 37.83 31.70 2kwb s LYS 21 CO -0.05 -1.37 1.67 -1.17 -0.76 0.00 0.00 175.35 173.68 2kwb s LEU 22 N 1.54 3.33 0.18 3.17 2.96 -1.26 0.09 118.68 128.68 2kwb s LEU 22 Ca 0.08 -0.96 -0.12 0.00 -0.22 0.00 0.00 54.13 52.90 2kwb s LEU 22 Cb -0.25 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.81 2kwb s LEU 22 CO 0.01 -2.10 0.55 0.54 -1.32 0.00 0.00 176.35 174.03 2kwb s VAL 23 N 7.40 4.89 -0.30 1.68 0.11 0.10 -3.85 120.40 130.43 2kwb s VAL 23 Ca 0.57 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 60.31 2kwb s VAL 23 Cb -0.04 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2kwb s VAL 23 CO -0.03 0.12 0.00 0.47 -3.33 0.00 0.00 175.10 172.33 2kwb n ASP 24 N 0.44 -4.89 -2.54 3.54 9.92 -1.26 -1.63 116.55 120.14 2kwb n ASP 24 Ca -0.03 0.07 -0.15 0.00 -0.53 0.00 0.00 54.79 54.15 2kwb n ASP 24 Cb 0.52 -3.16 -0.00 0.00 -0.64 0.00 0.00 41.12 37.84 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kwb n ASP 25 N -0.41 -4.24 0.00 -2.24 9.92 -1.25 -4.78 116.55 113.55 2kwb n ASP 25 Ca -0.03 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2kwb n ASP 25 Cb 0.44 -3.58 0.00 0.00 -0.64 0.00 0.00 41.12 37.34 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kwb n LEU 26 N -2.96 0.95 -4.22 0.64 7.94 -0.65 -4.99 117.00 113.72 2kwb n LEU 26 Ca -0.15 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.62 2kwb n LEU 26 Cb 0.62 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.47 2kwb n LEU 26 CO 0.23 0.07 -0.40 0.68 -1.11 0.00 0.00 177.39 176.85 2kwb s VAL 27 N -1.67 0.99 -0.18 1.96 -7.23 -1.01 -1.35 120.40 111.92 2kwb s VAL 27 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 2kwb s VAL 27 Cb 0.00 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2kwb s VAL 27 CO 0.00 -0.78 0.07 -0.31 -0.31 0.00 0.00 175.10 173.77 2kwb s TYR 28 N -3.39 3.27 -0.02 2.82 2.02 0.14 0.00 117.35 122.20 2kwb s TYR 28 Ca 0.14 0.10 -0.10 0.00 -0.37 0.00 0.00 57.07 56.85 2kwb s TYR 28 Cb 0.03 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 2kwb s TYR 28 CO -0.01 0.17 0.30 -2.00 -1.57 0.00 0.00 175.55 172.43 2kwb s GLU 29 N 0.36 3.67 -0.11 -0.62 2.12 0.11 -2.35 118.70 121.88 2kwb s GLU 29 Ca 0.04 0.09 -0.06 0.00 0.36 0.00 0.00 54.97 55.40 2kwb s GLU 29 Cb -0.12 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.18 2kwb s GLU 29 CO -0.00 0.68 0.27 0.12 -0.54 0.00 0.00 175.26 175.79 2kwb s PHE 30 N -1.18 -0.37 -0.07 5.30 5.36 -0.79 -1.64 117.98 124.59 2kwb s PHE 30 Ca 0.24 0.86 -0.14 0.00 -0.96 0.00 0.00 56.93 56.92 2kwb s PHE 30 Cb -0.14 0.08 -0.05 0.00 -0.34 0.00 0.00 43.02 42.57 2kwb s PHE 30 CO 0.13 -0.24 0.36 -1.59 -1.46 0.00 0.00 175.22 172.41 2kwb s LYS 31 N 1.21 4.01 0.08 10.12 -2.85 -1.26 -1.02 119.74 130.04 2kwb s LYS 31 Ca -0.09 0.28 0.09 0.00 -1.00 0.00 0.00 55.97 55.25 2kwb s LYS 31 Cb -0.10 -3.30 -0.03 0.00 -2.06 0.00 0.00 37.83 32.34 2kwb s LYS 31 CO -0.09 0.51 -0.23 0.20 0.10 0.00 0.00 175.35 175.84 2kwb s GLY 32 N -0.42 1.31 -0.01 0.59 0.00 -1.26 -4.82 107.32 102.70 2kwb s GLY 32 Ca 0.21 -1.25 -0.18 0.00 0.00 0.00 0.00 44.72 43.51 2kwb s GLY 32 CO 0.09 -1.20 0.50 0.54 0.00 0.00 0.00 173.10 173.02 2kwb s LYS 33 N -1.63 4.16 -0.37 2.90 1.02 -1.26 -4.70 119.74 119.85 2kwb s LYS 33 Ca 0.09 0.55 -0.28 0.00 0.02 0.00 0.00 55.97 56.36 2kwb s LYS 33 Cb -0.10 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2kwb s LYS 33 CO 0.04 0.49 2.00 -3.38 -0.92 0.00 0.00 175.35 173.57 2kwb s HIS 34 N -0.50 1.52 0.13 3.18 -3.43 -1.26 -1.18 115.29 113.74 2kwb s HIS 34 Ca 0.27 0.77 0.04 0.00 -0.80 0.00 0.00 55.06 55.34 2kwb s HIS 34 Cb -0.17 -3.99 -0.04 0.00 -1.43 0.00 0.00 32.58 26.94 2kwb s HIS 34 CO 0.15 -3.06 -0.10 0.14 -2.00 0.00 0.00 174.74 169.86 2kwb s VAL 35 N 8.37 1.11 -0.01 -5.38 -7.23 0.26 -4.82 120.40 112.70 2kwb s VAL 35 Ca 0.85 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2kwb s VAL 35 Cb -0.23 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2kwb s VAL 35 CO 0.31 -0.67 -0.03 0.68 -0.31 0.00 0.00 175.10 175.08 2kwb s VAL 36 N -2.98 0.27 -0.29 1.32 -7.23 -1.26 -1.06 120.40 109.18 2kwb s VAL 36 Ca 0.13 -0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2kwb s VAL 36 Cb 0.00 -0.26 0.04 0.00 0.56 0.00 0.00 36.38 36.73 2kwb s VAL 36 CO 0.00 0.10 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.27 2kwb s ARG 37 N 0.19 2.52 -0.19 4.82 3.52 0.51 -4.36 118.95 125.96 2kwb s ARG 37 Ca -0.02 -1.20 -0.06 0.00 -0.13 0.00 0.00 55.73 54.33 2kwb s ARG 37 Cb -0.05 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2kwb s ARG 37 CO -0.00 -0.56 0.01 0.21 -0.81 0.00 0.00 175.30 174.15 2kwb s LYS 38 N 1.26 3.71 -1.02 5.12 2.47 -1.16 -2.20 119.74 127.93 2kwb s LYS 38 Ca -0.04 -0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 53.63 2kwb s LYS 38 Cb -0.19 -3.10 -0.22 0.00 -1.46 0.00 0.00 37.83 32.86 2kwb s LYS 38 CO -0.02 0.10 2.17 -1.91 0.16 0.00 0.00 175.35 175.85 2kwb n GLU 39 N 4.01 0.18 0.00 4.03 2.13 -1.26 -0.93 120.64 128.80 2kwb n GLU 39 Ca -0.17 -1.52 0.00 0.00 0.66 0.00 0.00 57.16 56.13 2kwb n GLU 39 Cb 0.52 -3.87 0.00 0.00 0.27 0.00 0.00 31.44 28.36 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kwb n GLY 40 N 6.26 1.03 3.61 8.31 0.00 -1.26 -5.15 105.19 117.98 2kwb n GLY 40 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 2kwb n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kwb s GLU 41 N 0.00 1.76 -0.07 1.61 -1.05 -0.11 -5.17 118.70 115.67 2kwb s GLU 41 Ca 0.00 -1.40 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 2kwb s GLU 41 Cb 0.00 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2kwb s GLU 41 CO 0.00 -0.75 -0.06 0.42 0.95 0.00 0.00 175.26 175.82 2kwb s ILE 42 N -3.51 0.72 -0.33 1.83 -1.09 -1.26 -3.00 121.20 114.56 2kwb s ILE 42 Ca 0.23 -0.17 0.16 0.00 -2.23 0.00 0.00 60.65 58.64 2kwb s ILE 42 Cb -0.01 -0.75 0.46 0.00 -1.58 0.00 0.00 42.46 40.57 2kwb s ILE 42 CO 0.12 0.29 1.02 0.55 -1.23 0.00 0.00 174.94 175.69 2kwb n VAL 43 N 4.44 1.35 0.36 2.92 3.14 -1.26 -4.90 118.33 124.38 2kwb n VAL 43 Ca -0.18 -3.42 0.07 0.00 -2.96 0.00 0.00 64.34 57.85 2kwb n VAL 43 Cb 0.51 0.35 0.29 0.00 -1.06 0.00 0.00 33.84 33.93 2kwb n VAL 43 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kwb n LEU 44 N -0.25 0.15 -0.39 6.55 -0.00 -1.26 -1.73 117.00 120.07 2kwb n LEU 44 Ca 0.16 0.54 0.10 0.00 -0.00 0.00 0.00 56.01 56.81 2kwb n LEU 44 Cb 0.80 -0.53 0.44 0.00 -0.00 0.00 0.00 43.42 44.12 2kwb n LEU 44 CO 0.25 -0.40 0.80 0.00 -0.00 0.00 0.00 177.39 178.05 2kwb n ALA 45 N -1.56 2.55 -1.78 1.47 0.00 -1.26 -4.76 120.51 115.16 2kwb n ALA 45 Ca 0.02 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 2kwb n ALA 45 Cb 0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.60 2.76 -0.22 0.00 0.00 -0.70 -5.03 107.32 102.52 2kwb s GLY 46 Ca 0.32 0.67 -0.21 0.00 0.00 0.00 0.00 44.72 45.50 2kwb s GLY 46 CO 0.25 1.11 0.64 -1.35 0.00 0.00 0.00 173.10 173.76 2kwb s SER 47 N -1.55 6.65 0.42 1.64 1.04 -1.26 -5.06 113.70 115.59 2kwb s SER 47 Ca 0.56 0.80 -0.24 0.00 0.48 0.00 0.00 55.95 57.55 2kwb s SER 47 Cb -0.22 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 2kwb s SER 47 CO 0.27 -0.33 1.08 0.20 0.98 0.00 0.00 173.24 175.45 2kwb s ASN 48 N 1.31 6.59 0.21 7.02 0.01 -1.26 -4.99 114.94 123.83 2kwb s ASN 48 Ca 0.28 2.10 -0.31 0.00 -0.71 0.00 0.00 52.86 54.23 2kwb s ASN 48 Cb -0.16 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.81 2kwb s ASN 48 CO 0.09 -0.61 1.53 -2.16 -1.51 0.00 0.00 177.10 174.44 2kwb s PRO 49 N -2.58 4.22 0.18 -0.60 0.04 -1.26 -4.96 135.00 130.04 2kwb s PRO 49 Ca 0.60 2.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.70 2kwb s PRO 49 Cb -0.23 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 2kwb s PRO 49 CO 0.29 -0.55 1.42 -1.12 0.04 0.00 0.00 177.00 177.08 2kwb s SER 50 N 0.81 6.74 0.15 6.66 0.01 -1.26 -5.02 113.70 121.79 2kwb s SER 50 Ca 0.66 2.49 0.08 0.00 1.31 0.00 0.00 55.95 60.49 2kwb s SER 50 Cb -0.44 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.15 2kwb s SER 50 CO 0.37 -0.67 -0.17 0.00 0.41 0.00 0.00 173.24 173.18 2kwb s ALA 51 N 0.60 1.84 -0.30 1.44 0.00 -1.26 -5.04 121.76 119.04 2kwb s ALA 51 Ca 0.63 -1.42 0.20 0.00 0.00 0.00 0.00 51.96 51.36 2kwb s ALA 51 Cb -0.40 -0.15 0.19 0.00 0.00 0.00 0.00 23.12 22.77 2kwb s ALA 51 CO 0.36 0.20 1.48 1.49 0.00 0.00 0.00 175.76 179.29 2kwb h GLU 52 N 3.36 0.00 0.00 0.00 4.81 -2.07 -3.47 114.58 117.21 2kwb h GLU 52 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2kwb h GLU 52 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2kwb h GLU 52 CO 0.51 0.21 0.00 -0.85 -0.73 0.00 0.00 179.01 178.15 2kwb n GLU 53 N -3.12 0.00 0.00 1.92 0.28 -1.26 -5.09 120.64 113.37 2kwb n GLU 53 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2kwb n GLU 53 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 2kwb n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kwb n GLY 54 N 0.00 -1.62 3.37 -1.84 0.00 -1.26 -5.04 105.19 98.80 2kwb n GLY 54 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.89 -1.36 0.00 4.61 0.00 -1.26 -4.96 121.76 115.90 2kwb s ALA 55 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2kwb s ALA 55 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2kwb s ALA 55 CO 0.00 -0.65 0.00 -0.85 0.00 0.00 0.00 175.76 174.26 2kwb n GLU 56 N 5.06 1.68 -1.68 0.00 0.00 -1.26 -4.88 120.64 119.56 2kwb n GLU 56 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 56.92 2kwb n GLU 56 Cb 0.51 -0.38 0.05 0.00 0.00 0.00 0.00 31.44 31.63 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2kwb n ASP 57 N -0.31 0.77 0.00 -1.84 8.00 -1.26 -4.55 116.55 117.35 2kwb n ASP 57 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 2kwb n ASP 57 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.88 0.00 -1.32 -2.24 2.03 -1.26 -4.16 116.55 106.73 2kwb n ASP 58 Ca 0.08 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.40 2kwb n ASP 58 Cb 0.29 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.89 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 59 N 0.00 2.46 0.12 0.27 0.00 -1.26 -3.84 105.19 102.94 2kwb n GLY 59 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.53 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwb n SER 60 N 0.22 1.18 0.00 1.61 3.41 -1.26 -4.58 113.62 114.20 2kwb n SER 60 Ca 0.18 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2kwb n SER 60 Cb 0.82 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 2kwb n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kwb n ASP 61 N 0.09 0.00 -4.93 4.04 9.92 -1.25 -4.89 116.55 119.52 2kwb n ASP 61 Ca 0.02 0.51 -0.26 0.00 -0.53 0.00 0.00 54.79 54.53 2kwb n ASP 61 Cb 0.08 -0.37 -0.02 0.00 -0.64 0.00 0.00 41.12 40.16 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kwb s GLU 62 N -1.22 3.52 -1.13 -1.24 2.02 -1.26 -5.00 118.70 114.39 2kwb s GLU 62 Ca 0.00 -0.31 -0.20 0.00 0.02 0.00 0.00 54.97 54.48 2kwb s GLU 62 Cb 0.00 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2kwb s GLU 62 CO 0.00 0.28 1.96 1.58 0.02 0.00 0.00 175.26 179.11 2kwb n HIS 63 N -1.16 2.99 -3.27 1.61 -0.00 -1.26 -4.91 115.22 109.23 2kwb n HIS 63 Ca -0.05 -2.20 -0.41 0.00 -0.00 0.00 0.00 57.72 55.07 2kwb n HIS 63 Cb 0.55 -2.30 -0.08 0.00 -0.00 0.00 0.00 29.99 28.16 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2kwb s VAL 64 N 5.85 5.06 -1.42 3.57 1.01 -1.26 -4.93 120.40 128.27 2kwb s VAL 64 Ca 0.57 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 2kwb s VAL 64 Cb 0.09 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2kwb s VAL 64 CO 0.07 -0.08 2.36 1.21 0.00 0.00 0.00 175.10 178.67 2kwb n GLU 65 N 5.61 2.90 -3.92 2.72 2.13 -0.93 -4.89 120.64 124.26 2kwb n GLU 65 Ca -0.05 -2.41 -0.36 0.00 0.66 0.00 0.00 57.16 55.00 2kwb n GLU 65 Cb 0.49 -3.12 -0.12 0.00 0.27 0.00 0.00 31.44 28.96 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 3.13 3.77 0.00 5.31 3.52 -1.26 -0.36 118.95 133.06 2kwb s ARG 66 Ca 0.53 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2kwb s ARG 66 Cb 0.15 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 2kwb s ARG 66 CO -0.06 0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 2kwb n GLY 67 N 4.30 -0.54 3.54 8.12 0.00 -0.22 -5.00 105.19 115.37 2kwb n GLY 67 Ca -0.16 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.91 3.58 0.32 -0.61 -4.36 -1.26 -0.57 121.20 117.39 2kwb s ILE 68 Ca 0.00 -0.51 0.08 0.00 -0.26 0.00 0.00 60.65 59.96 2kwb s ILE 68 Cb 0.00 -2.47 0.39 0.00 1.25 0.00 0.00 42.46 41.63 2kwb s ILE 68 CO 0.00 0.58 1.53 -0.67 0.24 0.00 0.00 174.94 176.62 2kwb n ASP 69 N 2.54 0.03 -0.37 4.36 2.03 -0.33 -1.46 116.55 123.35 2kwb n ASP 69 Ca -0.18 1.65 0.00 0.00 0.52 0.00 0.00 54.79 56.78 2kwb n ASP 69 Cb 0.53 -0.66 0.06 0.00 -0.72 0.00 0.00 41.12 40.32 2kwb n ASP 69 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2kwb h ILE 70 N 0.00 0.01 0.03 5.18 2.04 -1.87 -0.87 117.51 122.03 2kwb h ILE 70 Ca 0.67 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 66.18 2kwb h ILE 70 Cb 1.53 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2kwb h ILE 70 CO -0.87 0.00 -2.10 1.33 0.00 0.00 0.00 178.15 176.52 2kwb n VAL 71 N -5.50 1.57 -0.01 1.67 0.24 -0.54 -4.19 118.33 111.57 2kwb n VAL 71 Ca 0.11 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.54 2kwb n VAL 71 Cb 0.42 -1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 31.60 2kwb n VAL 71 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2kwb h LEU 72 N 0.02 0.03 -2.50 1.34 3.38 -1.13 -0.07 115.31 116.37 2kwb h LEU 72 Ca -0.44 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.11 2kwb h LEU 72 Cb 2.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 2kwb h LEU 72 CO 0.04 0.44 -0.02 -1.13 0.09 0.00 0.00 178.44 177.86 2kwb h ASN 73 N -0.39 0.00 -0.02 -0.43 -1.24 -1.38 -0.71 115.58 111.41 2kwb h ASN 73 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kwb h ASN 73 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2kwb h ASN 73 CO 0.00 0.02 -0.02 1.41 -1.29 0.00 0.00 177.43 177.55 2kwb n HIS 74 N -3.23 0.00 -3.23 0.67 8.25 -1.15 -5.03 115.22 111.49 2kwb n HIS 74 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 2kwb n HIS 74 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.95 -1.37 -4.61 -0.41 4.01 -0.27 -4.95 118.16 111.50 2kwb n LYS 75 Ca 0.10 1.32 -0.34 0.00 -0.51 0.00 0.00 58.31 58.89 2kwb n LYS 75 Cb 0.45 -4.96 -0.12 0.00 -0.51 0.00 0.00 35.03 29.89 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kwb s LEU 76 N -4.23 3.10 0.14 -0.35 1.43 -0.18 -4.32 118.68 114.27 2kwb s LEU 76 Ca 0.00 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 2kwb s LEU 76 Cb -0.00 -1.69 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 2kwb s LEU 76 CO 0.78 0.29 0.63 0.54 0.23 0.00 0.00 176.35 178.82 2kwb s VAL 77 N -0.40 4.68 0.10 -1.59 0.11 -1.00 -4.81 120.40 117.49 2kwb s VAL 77 Ca 0.06 1.20 -0.24 0.00 -2.93 0.00 0.00 61.98 60.08 2kwb s VAL 77 Cb -0.12 -3.88 -0.07 0.00 -1.53 0.00 0.00 36.38 30.78 2kwb s VAL 77 CO 0.02 0.40 0.72 -1.83 -3.33 0.00 0.00 175.10 171.08 2kwb s GLU 78 N -1.50 4.45 -0.00 1.54 1.03 -1.26 -1.91 118.70 121.05 2kwb s GLU 78 Ca 0.35 1.01 0.02 0.00 0.03 0.00 0.00 54.97 56.38 2kwb s GLU 78 Cb -0.18 -3.29 -0.01 0.00 -0.80 0.00 0.00 34.13 29.85 2kwb s GLU 78 CO 0.20 0.48 -0.07 -1.64 -1.33 0.00 0.00 175.26 172.90 2kwb s MET 79 N -0.73 0.58 0.40 -4.83 -1.94 0.41 -4.97 119.30 108.23 2kwb s MET 79 Ca 0.35 -0.27 -0.05 0.00 -1.71 0.00 0.00 55.69 54.00 2kwb s MET 79 Cb -0.21 -0.56 -0.05 0.00 2.01 0.00 0.00 34.83 36.02 2kwb s MET 79 CO 0.23 0.15 0.69 -0.80 -0.01 0.00 0.00 175.02 175.28 2kwb s ASN 80 N -0.21 6.37 0.22 3.03 -0.87 -1.26 -1.84 114.94 120.37 2kwb s ASN 80 Ca 0.02 0.85 -0.08 0.00 -1.57 0.00 0.00 52.86 52.08 2kwb s ASN 80 Cb -0.03 -2.21 0.31 0.00 -0.02 0.00 0.00 41.25 39.31 2kwb s ASN 80 CO -0.00 -0.40 1.75 0.00 -2.57 0.00 0.00 177.10 175.88 2kwb h TYR 82 N 0.47 0.00 0.00 0.00 -0.00 -1.95 -2.81 116.97 112.68 2kwb h TYR 82 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 58.73 58.73 2kwb h TYR 82 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.07 2kwb h TYR 82 CO -0.15 0.00 -2.31 -1.91 -0.00 0.00 0.00 178.16 173.79 2kwb n GLU 83 N -3.12 0.68 0.00 0.10 4.07 -0.47 -4.41 120.64 117.49 2kwb n GLU 83 Ca -0.03 -0.01 0.12 0.00 -0.06 0.00 0.00 57.16 57.18 2kwb n GLU 83 Cb 0.08 -1.54 0.58 0.00 -0.06 0.00 0.00 31.44 30.50 2kwb n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kwb n ASP 84 N -2.72 0.00 -0.31 4.31 2.03 -1.04 -4.03 116.55 114.80 2kwb n ASP 84 Ca -0.29 0.17 0.16 0.00 0.52 0.00 0.00 54.79 55.35 2kwb n ASP 84 Cb 1.09 -0.38 0.34 0.00 -0.72 0.00 0.00 41.12 41.46 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kwb h ALA 85 N 3.02 1.47 -0.54 -1.67 0.00 -1.77 0.43 119.26 120.20 2kwb h ALA 85 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2kwb h ALA 85 Cb 0.31 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kwb h ALA 85 CO 0.00 -0.49 -0.09 0.77 0.00 0.00 0.00 179.25 179.44 2kwb h SER 86 N 0.25 1.01 -0.46 0.00 0.02 -1.93 -2.77 113.55 109.67 2kwb h SER 86 Ca 0.60 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2kwb h SER 86 Cb 1.26 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2kwb h SER 86 CO -0.64 1.11 0.21 0.24 -1.14 0.00 0.00 176.83 176.61 2kwb h MET 87 N 0.91 0.68 -0.28 3.45 2.07 -0.46 -2.09 114.93 119.20 2kwb h MET 87 Ca 0.14 -0.11 0.07 0.00 -2.07 0.00 0.00 59.70 57.73 2kwb h MET 87 Cb 0.65 -0.12 -0.07 0.00 -1.87 0.00 0.00 31.60 30.20 2kwb h MET 87 CO 0.05 0.59 -0.19 0.74 1.07 0.00 0.00 176.91 179.17 2kwb h PHE 88 N 0.61 -0.49 -0.72 -0.22 0.04 -1.13 0.17 116.94 115.20 2kwb h PHE 88 Ca 0.16 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.99 2kwb h PHE 88 Cb 0.15 0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 2kwb h PHE 88 CO -0.00 -0.27 0.46 -0.22 -0.60 0.00 0.00 178.31 177.68 2kwb h LYS 89 N -0.17 0.88 0.03 1.51 1.63 -1.17 0.16 116.57 119.44 2kwb h LYS 89 Ca 0.15 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2kwb h LYS 89 Cb 0.40 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2kwb h LYS 89 CO -0.38 0.58 -0.02 0.00 -3.45 0.00 0.00 179.45 176.18 2kwb h ALA 90 N 1.30 -0.05 0.30 5.00 0.00 -1.18 -2.57 119.26 122.06 2kwb h ALA 90 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kwb h ALA 90 Cb -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kwb h ALA 90 CO -0.10 -0.22 -0.19 -0.92 0.00 0.00 0.00 179.25 177.82 2kwb h TYR 91 N -0.66 -0.51 -0.55 0.00 3.20 -0.52 -2.16 116.97 115.77 2kwb h TYR 91 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2kwb h TYR 91 Cb 0.60 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2kwb h TYR 91 CO 0.13 -0.30 0.11 0.82 -1.64 0.00 0.00 178.16 177.28 2kwb h ILE 92 N -0.48 1.23 0.55 1.81 1.08 -0.82 0.59 117.51 121.47 2kwb h ILE 92 Ca -0.03 -0.87 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 2kwb h ILE 92 Cb 0.41 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2kwb h ILE 92 CO 0.02 0.32 -0.37 0.50 -0.69 0.00 0.00 178.15 177.93 2kwb h LYS 93 N 0.82 -0.84 -0.59 2.37 3.64 -1.32 0.14 116.57 120.78 2kwb h LYS 93 Ca 0.18 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2kwb h LYS 93 Cb 0.33 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 2kwb h LYS 93 CO 0.00 -0.56 0.34 -0.22 -2.27 0.00 0.00 179.45 176.74 2kwb h LYS 94 N -0.87 0.63 0.38 1.90 3.64 -1.35 -2.81 116.57 118.08 2kwb h LYS 94 Ca -0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2kwb h LYS 94 Cb 0.71 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2kwb h LYS 94 CO 0.06 0.41 -0.18 0.35 -2.27 0.00 0.00 179.45 177.82 2kwb h PHE 95 N 0.65 -0.47 -0.61 1.91 3.57 -0.83 -2.50 116.94 118.65 2kwb h PHE 95 Ca 0.25 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 2kwb h PHE 95 Cb 0.10 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 2kwb h PHE 95 CO -0.08 -0.29 0.27 1.98 -2.23 0.00 0.00 178.31 177.97 2kwb h MET 96 N -0.53 0.48 -0.44 1.11 4.05 -0.76 0.44 114.93 119.28 2kwb h MET 96 Ca -0.05 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2kwb h MET 96 Cb 0.39 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2kwb h MET 96 CO 0.08 0.32 0.12 0.87 0.23 0.00 0.00 176.91 178.53 2kwb h LYS 97 N 0.49 0.70 -0.21 0.39 1.57 -1.60 -2.27 116.57 115.64 2kwb h LYS 97 Ca 0.30 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 2kwb h LYS 97 Cb 0.31 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kwb h LYS 97 CO -0.26 0.69 -0.38 -0.97 -0.57 0.00 0.00 179.45 177.97 2kwb h ASN 98 N 0.58 0.69 -0.16 0.86 -0.73 -0.87 -2.17 115.58 113.79 2kwb h ASN 98 Ca 0.14 -0.54 -0.20 0.00 1.87 0.00 0.00 56.30 57.58 2kwb h ASN 98 Cb 0.29 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2kwb h ASN 98 CO -0.00 1.10 -0.64 -0.37 -0.37 0.00 0.00 177.43 177.14 2kwb h VAL 99 N 0.31 1.29 -0.31 2.57 -1.51 -0.98 0.36 116.25 117.98 2kwb h VAL 99 Ca 0.01 -1.85 -0.02 0.00 -1.23 0.00 0.00 66.70 63.60 2kwb h VAL 99 Cb 0.97 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2kwb h VAL 99 CO 0.08 0.59 0.10 0.40 -1.23 0.00 0.00 177.57 177.51 2kwb h ILE 100 N 0.57 1.20 -0.92 7.19 1.08 -1.48 -1.36 117.51 123.79 2kwb h ILE 100 Ca -0.01 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 63.88 2kwb h ILE 100 Cb 1.25 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.99 2kwb h ILE 100 CO 0.13 0.22 0.60 -0.78 -0.69 0.00 0.00 178.15 177.63 2kwb h ASP 101 N 0.34 0.90 -0.86 1.72 3.58 -1.32 0.20 116.42 120.98 2kwb h ASP 101 Ca 0.10 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kwb h ASP 101 Cb 0.24 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 2kwb h ASP 101 CO -0.00 0.56 0.53 -0.74 -2.88 0.00 0.00 179.24 176.71 2kwb h HIS 102 N 1.01 1.12 0.02 0.28 2.76 -0.47 -2.91 115.15 116.96 2kwb h HIS 102 Ca 0.41 0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 58.37 2kwb h HIS 102 Cb 0.26 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 2kwb h HIS 102 CO -0.00 0.73 -1.17 1.98 -1.30 0.00 0.00 177.93 178.17 2kwb h MET 103 N 1.18 0.04 0.00 5.26 1.85 -0.18 -3.37 114.93 119.71 2kwb h MET 103 Ca 0.31 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.33 2kwb h MET 103 Cb -0.07 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 31.98 2kwb h MET 103 CO -0.06 1.03 -0.05 1.05 -0.40 0.00 0.00 176.91 178.48 2kwb h GLU 104 N -0.87 0.00 0.36 0.39 4.11 -0.75 0.65 114.58 118.47 2kwb h GLU 104 Ca -0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 2kwb h GLU 104 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2kwb h GLU 104 CO -0.15 0.05 -0.24 -0.22 0.07 0.00 0.00 179.01 178.52 2kwb h LYS 105 N 0.00 -0.56 0.00 1.06 1.63 -1.67 -2.19 116.57 114.84 2kwb h LYS 105 Ca -0.00 0.04 -0.37 0.00 -0.85 0.00 0.00 60.65 59.47 2kwb h LYS 105 Cb 0.15 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.84 2kwb h LYS 105 CO 0.01 -0.38 -2.41 0.27 -3.45 0.00 0.00 179.45 173.49 2kwb n ASN 106 N -5.37 1.48 0.01 4.20 0.23 -1.07 -4.48 115.26 110.26 2kwb n ASN 106 Ca -0.10 -0.10 -0.13 0.00 -0.53 0.00 0.00 54.58 53.73 2kwb n ASN 106 Cb 0.27 0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 37.89 2kwb n ASN 106 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2kwb h ASN 107 N 0.00 -0.03 -1.69 0.53 4.21 -1.04 -3.46 115.58 114.09 2kwb h ASN 107 Ca -0.55 -0.40 -0.12 0.00 1.21 0.00 0.00 56.30 56.44 2kwb h ASN 107 Cb 1.97 0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 39.13 2kwb h ASN 107 CO -0.05 0.39 -0.11 -2.11 -1.29 0.00 0.00 177.43 174.25 2kwb n ARG 108 N -4.91 -1.14 -3.78 0.81 1.85 -0.82 -4.91 116.66 103.75 2kwb n ARG 108 Ca -0.08 0.35 -0.36 0.00 -1.00 0.00 0.00 57.85 56.75 2kwb n ARG 108 Cb 0.22 -4.45 -0.11 0.00 -1.05 0.00 0.00 32.46 27.08 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kwb s ASP 109 N -1.49 5.70 0.11 2.89 1.01 -1.26 -5.03 116.67 118.60 2kwb s ASP 109 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 52.55 52.94 2kwb s ASP 109 Cb 0.00 -2.02 -0.12 0.00 1.01 0.00 0.00 42.92 41.79 2kwb s ASP 109 CO 0.00 0.06 1.58 0.11 0.21 0.00 0.00 175.17 177.13 2kwb h LYS 110 N 7.57 -0.69 0.00 8.23 1.57 -1.99 -1.32 116.57 129.94 2kwb h LYS 110 Ca -0.37 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2kwb h LYS 110 Cb 1.17 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2kwb h LYS 110 CO 0.63 -0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 2kwb n ALA 111 N -2.84 1.12 -0.05 3.86 0.00 -1.26 -1.08 120.51 120.27 2kwb n ALA 111 Ca -0.08 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 2kwb n ALA 111 Cb 0.39 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 2kwb n ALA 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kwb n ASP 112 N -1.80 1.26 0.05 0.00 -0.08 -0.58 -3.88 116.55 111.51 2kwb n ASP 112 Ca -0.00 0.49 -0.02 0.00 -1.51 0.00 0.00 54.79 53.75 2kwb n ASP 112 Cb 0.04 -0.75 0.25 0.00 2.34 0.00 0.00 41.12 43.00 2kwb n ASP 112 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2kwb h VAL 113 N -0.69 1.25 -0.07 5.18 -1.51 -1.22 -1.47 116.25 117.71 2kwb h VAL 113 Ca 0.00 -1.18 -0.08 0.00 -1.23 0.00 0.00 66.70 64.21 2kwb h VAL 113 Cb 0.39 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 2kwb h VAL 113 CO 0.00 0.37 -0.33 -0.78 -1.23 0.00 0.00 177.57 175.60 2kwb h ASP 114 N 0.36 0.14 -0.11 4.19 3.58 -1.33 0.78 116.42 124.03 2kwb h ASP 114 Ca 0.06 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 2kwb h ASP 114 Cb 0.61 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kwb h ASP 114 CO 0.04 0.46 -0.23 0.00 -2.88 0.00 0.00 179.24 176.64 2kwb h ALA 115 N 1.55 0.18 -0.22 -0.78 0.00 -1.51 -0.38 119.26 118.09 2kwb h ALA 115 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2kwb h ALA 115 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kwb h ALA 115 CO 0.05 0.14 0.13 0.35 0.00 0.00 0.00 179.25 179.92 2kwb h PHE 116 N -0.08 0.24 -0.96 0.00 3.57 -1.14 0.33 116.94 118.91 2kwb h PHE 116 Ca 0.00 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 2kwb h PHE 116 Cb 0.82 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.41 2kwb h PHE 116 CO 0.11 0.14 0.61 -0.22 -2.23 0.00 0.00 178.31 176.72 2kwb h LYS 117 N 0.27 0.92 -0.44 1.11 3.64 -0.87 -1.24 116.57 119.95 2kwb h LYS 117 Ca 0.09 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2kwb h LYS 117 Cb -0.00 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2kwb h LYS 117 CO -0.04 0.61 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.49 2kwb h LYS 118 N 0.94 0.74 0.20 1.90 3.64 -0.17 0.95 116.57 124.78 2kwb h LYS 118 Ca 0.46 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2kwb h LYS 118 Cb 0.47 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2kwb h LYS 118 CO -0.22 0.78 -0.10 0.87 -2.27 0.00 0.00 179.45 178.51 2kwb h LYS 119 N 0.69 -0.26 -0.60 1.90 1.79 0.12 0.27 116.57 120.47 2kwb h LYS 119 Ca 0.13 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2kwb h LYS 119 Cb 0.48 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 2kwb h LYS 119 CO 0.02 -0.02 0.23 0.82 -1.08 0.00 0.00 179.45 179.42 2kwb h ILE 120 N -0.47 1.23 -0.17 1.86 1.08 -1.17 0.98 117.51 120.86 2kwb h ILE 120 Ca -0.03 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2kwb h ILE 120 Cb 0.36 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 2kwb h ILE 120 CO 0.05 0.29 0.10 -0.61 -0.69 0.00 0.00 178.15 177.28 2kwb h GLN 121 N 0.84 0.23 -0.75 2.37 5.75 -0.82 -0.79 115.11 121.93 2kwb h GLN 121 Ca 0.20 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2kwb h GLN 121 Cb 0.22 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 2kwb h GLN 121 CO -0.01 0.20 0.40 0.78 -2.65 0.00 0.00 178.83 177.55 2kwb h GLY 122 N 0.19 1.12 0.97 2.39 0.00 -0.77 -1.06 103.07 105.92 2kwb h GLY 122 Ca 0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 2kwb h GLY 122 CO -0.01 0.48 -0.24 -0.25 0.00 0.00 0.00 176.54 176.52 2kwb h TRP 123 N 1.05 -0.62 -0.16 5.60 7.01 -0.45 -2.56 115.95 125.81 2kwb h TRP 123 Ca 0.26 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 2kwb h TRP 123 Cb 0.04 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2kwb h TRP 123 CO 0.01 -0.37 0.00 -0.39 -2.79 0.00 0.00 178.44 174.90 2kwb h VAL 124 N -0.71 1.25 -0.62 2.65 -1.51 -1.07 -0.42 116.25 115.83 2kwb h VAL 124 Ca -0.07 -0.83 0.02 0.00 -1.23 0.00 0.00 66.70 64.58 2kwb h VAL 124 Cb 0.53 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 2kwb h VAL 124 CO 0.11 0.25 0.41 1.62 -1.23 0.00 0.00 177.57 178.73 2kwb h VAL 125 N 0.02 1.13 0.14 7.19 3.04 -1.25 0.39 116.25 126.91 2kwb h VAL 125 Ca 0.04 -0.27 -0.27 0.00 -1.01 0.00 0.00 66.70 65.19 2kwb h VAL 125 Cb 0.37 0.26 0.03 0.00 -2.01 0.00 0.00 31.29 29.95 2kwb h VAL 125 CO 0.01 0.14 -1.14 -1.28 -1.01 0.00 0.00 177.57 174.30 2kwb h SER 126 N 0.79 0.75 -0.60 3.17 0.87 -1.42 -3.34 113.55 113.77 2kwb h SER 126 Ca 0.24 -0.86 -0.05 0.00 -1.23 0.00 0.00 61.79 59.88 2kwb h SER 126 Cb -0.02 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 2kwb h SER 126 CO -0.06 1.55 0.18 0.25 -0.53 0.00 0.00 176.83 178.22 2kwb h LEU 127 N 0.07 0.91 0.00 2.23 5.85 -0.52 -2.58 115.31 121.27 2kwb h LEU 127 Ca -0.18 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2kwb h LEU 127 Cb 1.85 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2kwb h LEU 127 CO 0.22 0.86 0.00 0.18 -0.34 0.00 0.00 178.44 179.36 2kwb n LEU 128 N -4.26 0.00 -4.45 2.25 4.77 0.08 -4.67 117.00 110.72 2kwb n LEU 128 Ca 0.05 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 2kwb n LEU 128 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2kwb n LEU 128 CO 0.41 0.00 1.24 0.00 -1.33 0.00 0.00 177.39 177.71 2kwb n ALA 129 N -0.84 0.74 -0.34 -1.18 0.00 -0.98 -4.77 120.51 113.14 2kwb n ALA 129 Ca 0.14 -2.50 0.33 0.00 0.00 0.00 0.00 53.44 51.41 2kwb n ALA 129 Cb 0.06 -3.43 0.59 0.00 0.00 0.00 0.00 19.45 16.68 2kwb n ALA 129 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kwb n LYS 130 N 8.12 -0.05 -0.24 0.00 0.00 -1.26 -1.58 118.16 123.15 2kwb n LYS 130 Ca 0.43 1.32 0.03 0.00 -0.00 0.00 0.00 58.31 60.08 2kwb n LYS 130 Cb 0.46 -2.42 0.15 0.00 -0.00 0.00 0.00 35.03 33.22 2kwb n LYS 130 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2kwb h ASP 131 N 0.00 0.30 0.00 -5.58 3.32 -1.98 0.20 116.42 112.68 2kwb h ASP 131 Ca 0.84 0.09 -0.23 0.00 0.02 0.00 0.00 57.03 57.75 2kwb h ASP 131 Cb 2.32 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 41.88 2kwb h ASP 131 CO -0.69 0.15 -1.85 -2.11 -1.72 0.00 0.00 179.24 173.02 2kwb n ARG 132 N -4.97 1.00 0.00 3.56 0.00 -1.04 -4.56 116.66 110.65 2kwb n ARG 132 Ca 0.12 0.05 0.10 0.00 -0.00 0.00 0.00 57.85 58.12 2kwb n ARG 132 Cb 0.33 -1.31 0.53 0.00 -0.00 0.00 0.00 32.46 32.02 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwb n PHE 133 N -2.76 0.00 -0.20 2.89 3.72 -0.62 -2.97 117.46 117.52 2kwb n PHE 133 Ca -0.24 0.00 0.30 0.00 -0.05 0.00 0.00 57.45 57.46 2kwb n PHE 133 Cb 0.83 -0.29 0.61 0.00 -0.94 0.00 0.00 39.48 39.69 2kwb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2kwb h LYS 134 N 0.00 0.00 -0.85 -1.08 3.64 -1.15 -0.06 116.57 117.08 2kwb h LYS 134 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2kwb h LYS 134 Cb 0.20 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 2kwb h LYS 134 CO 0.00 0.00 0.15 0.09 -2.27 0.00 0.00 179.45 177.42 2kwb n ASN 135 N -3.57 3.69 -4.91 4.20 3.02 -1.16 -4.58 115.26 111.96 2kwb n ASN 135 Ca 0.22 -2.71 -0.28 0.00 -0.03 0.00 0.00 54.58 51.78 2kwb n ASN 135 Cb 1.30 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kwb s LEU 136 N -1.77 3.83 -0.16 3.41 1.43 -0.04 -4.66 118.68 120.72 2kwb s LEU 136 Ca 0.33 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2kwb s LEU 136 Cb 0.26 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.77 2kwb s LEU 136 CO 0.08 -0.40 -0.19 0.00 0.23 0.00 0.00 176.35 176.07 2kwb s ALA 137 N -2.44 2.17 -0.22 4.21 0.00 -0.98 -4.16 121.76 120.34 2kwb s ALA 137 Ca 0.46 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 2kwb s ALA 137 Cb -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2kwb s ALA 137 CO 0.37 -0.31 -0.00 -0.06 0.00 0.00 0.00 175.76 175.76 2kwb s PHE 138 N 1.27 3.01 -0.13 0.00 0.08 -0.77 -1.08 117.98 120.36 2kwb s PHE 138 Ca 0.03 -0.64 -0.02 0.00 0.12 0.00 0.00 56.93 56.42 2kwb s PHE 138 Cb -0.13 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2kwb s PHE 138 CO -0.11 -0.39 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.50 2kwb s PHE 139 N 1.33 2.96 0.06 0.36 0.40 -0.66 -0.44 117.98 121.99 2kwb s PHE 139 Ca 0.04 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 2kwb s PHE 139 Cb -0.15 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 2kwb s PHE 139 CO 0.00 0.00 -0.16 -1.50 0.70 0.00 0.00 175.22 174.27 2kwb s ILE 140 N 0.12 2.98 0.74 0.64 1.10 -0.80 -0.85 121.20 125.13 2kwb s ILE 140 Ca -0.02 -1.23 -0.15 0.00 -0.51 0.00 0.00 60.65 58.74 2kwb s ILE 140 Cb -0.14 -2.31 0.05 0.00 0.15 0.00 0.00 42.46 40.21 2kwb s ILE 140 CO 0.03 0.25 1.23 -0.83 -2.11 0.00 0.00 174.94 173.52 2kwb s GLY 141 N -1.71 2.39 0.00 1.50 0.00 -1.26 -2.37 107.32 105.87 2kwb s GLY 141 Ca 0.17 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.83 2kwb s GLY 141 CO 0.08 1.37 0.97 -2.21 0.00 0.00 0.00 173.10 173.31 2kwb n GLU 142 N -2.76 0.00 0.27 2.90 2.13 -1.26 -0.98 120.64 120.93 2kwb n GLU 142 Ca 0.14 0.80 0.15 0.00 0.66 0.00 0.00 57.16 58.91 2kwb n GLU 142 Cb 0.50 -1.47 0.68 0.00 0.27 0.00 0.00 31.44 31.42 2kwb n GLU 142 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2kwb h ARG 143 N 0.00 0.00 -0.00 5.31 9.65 -1.95 -3.05 114.38 124.33 2kwb h ARG 143 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kwb h ARG 143 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2kwb h ARG 143 CO 0.00 0.08 -0.00 0.00 2.80 0.00 0.00 179.97 182.85 2kwb h ALA 144 N 1.92 0.01 0.00 2.80 0.00 -1.63 -2.86 119.26 119.50 2kwb h ALA 144 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kwb h ALA 144 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kwb h ALA 144 CO 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.93 2kwb h ALA 145 N 0.68 1.00 -0.08 0.00 0.00 -0.95 -1.56 119.26 118.35 2kwb h ALA 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kwb h ALA 145 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kwb h ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2kwb n GLU 146 N -2.76 1.22 -2.39 0.00 -0.58 -1.08 -4.89 120.64 110.16 2kwb n GLU 146 Ca -0.02 -0.30 -0.06 0.00 -0.42 0.00 0.00 57.16 56.35 2kwb n GLU 146 Cb 0.10 -1.12 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 2kwb n GLU 146 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kwb n GLY 147 N 0.57 0.11 0.50 0.62 0.00 -0.59 -4.99 105.19 101.42 2kwb n GLY 147 Ca 0.03 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 148 N -2.21 2.59 0.00 4.61 0.00 -1.23 -4.98 120.51 119.29 2kwb n ALA 148 Ca -0.07 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.09 2kwb n ALA 148 Cb 0.56 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2kwb n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kwb n GLU 149 N -0.81 0.00 -0.63 0.00 4.07 -1.26 -4.76 120.64 117.25 2kwb n GLU 149 Ca 0.17 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.23 2kwb n GLU 149 Cb 0.72 -1.54 -0.07 0.00 -0.06 0.00 0.00 31.44 30.50 2kwb n GLU 149 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2kwb n ASN 150 N 0.29 4.62 -4.36 4.31 5.15 -1.26 -4.84 115.26 119.17 2kwb n ASN 150 Ca 0.00 -2.28 -0.45 0.00 -0.60 0.00 0.00 54.58 51.25 2kwb n ASN 150 Cb 0.00 -1.10 -0.05 0.00 -0.53 0.00 0.00 39.78 38.10 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 2.06 1.89 -0.13 8.20 0.00 -1.26 -4.47 107.32 113.60 2kwb s GLY 151 Ca 0.26 -2.28 0.03 0.00 0.00 0.00 0.00 44.72 42.73 2kwb s GLY 151 CO 0.00 1.42 -0.22 1.62 0.00 0.00 0.00 173.10 175.92 2kwb s GLN 152 N 2.29 3.04 0.02 2.90 0.74 -1.26 -4.87 119.66 122.51 2kwb s GLN 152 Ca 0.09 -0.86 -0.23 0.00 0.05 0.00 0.00 55.36 54.40 2kwb s GLN 152 Cb -0.26 -2.39 -0.05 0.00 1.10 0.00 0.00 33.01 31.41 2kwb s GLN 152 CO 0.06 0.06 0.70 0.08 -0.55 0.00 0.00 175.29 175.64 2kwb s VAL 153 N 0.64 4.81 -0.26 1.34 1.01 -1.26 -4.25 120.40 122.43 2kwb s VAL 153 Ca -0.11 1.49 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 2kwb s VAL 153 Cb -0.16 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2kwb s VAL 153 CO 0.02 0.37 0.22 0.00 0.00 0.00 0.00 175.10 175.71 2kwb s ALA 154 N -0.05 3.57 0.04 5.51 0.00 -0.03 -4.97 121.76 125.83 2kwb s ALA 154 Ca 0.36 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2kwb s ALA 154 Cb -0.20 -2.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 2kwb s ALA 154 CO 0.21 -0.41 0.48 0.42 0.00 0.00 0.00 175.76 176.46 2kwb s ILE 155 N 1.50 4.89 -0.25 0.00 1.01 -1.07 -1.66 121.20 125.63 2kwb s ILE 155 Ca 0.09 1.00 0.02 0.00 0.00 0.00 0.00 60.65 61.76 2kwb s ILE 155 Cb -0.15 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.59 2kwb s ILE 155 CO 0.08 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 174.87 2kwb s ILE 156 N -1.11 1.82 0.22 2.92 -1.09 -0.24 -0.74 121.20 122.97 2kwb s ILE 156 Ca 0.27 -1.43 -0.10 0.00 -2.23 0.00 0.00 60.65 57.15 2kwb s ILE 156 Cb -0.18 -2.03 -0.07 0.00 -1.58 0.00 0.00 42.46 38.60 2kwb s ILE 156 CO 0.16 -0.09 0.55 -1.61 -1.23 0.00 0.00 174.94 172.71 2kwb s GLU 157 N 1.26 3.82 -0.47 2.79 8.01 0.21 -2.33 118.70 131.99 2kwb s GLU 157 Ca -0.07 0.30 -0.23 0.00 0.01 0.00 0.00 54.97 54.98 2kwb s GLU 157 Cb -0.19 -2.69 0.03 0.00 -4.31 0.00 0.00 34.13 26.97 2kwb s GLU 157 CO -0.06 0.34 0.82 1.52 0.01 0.00 0.00 175.26 177.90 2kwb s TYR 158 N -1.77 2.96 -0.10 1.61 1.13 -1.26 -0.56 117.35 119.35 2kwb s TYR 158 Ca 0.46 0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 56.27 2kwb s TYR 158 Cb -0.12 -3.76 -0.03 0.00 -1.10 0.00 0.00 41.96 36.95 2kwb s TYR 158 CO 0.21 -1.05 -0.07 1.03 -2.51 0.00 0.00 175.55 173.16 2kwb s ARG 159 N 3.43 3.14 -0.32 -3.49 1.81 -0.06 -4.93 118.95 118.52 2kwb s ARG 159 Ca 0.31 -0.56 -0.24 0.00 -1.72 0.00 0.00 55.73 53.53 2kwb s ARG 159 Cb -0.12 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 2kwb s ARG 159 CO 0.23 0.47 0.80 0.34 -0.68 0.00 0.00 175.30 176.45 2kwb s ASP 160 N -0.28 6.64 -0.69 0.23 2.15 -1.26 -0.27 116.67 123.19 2kwb s ASP 160 Ca 0.04 0.59 -0.07 0.00 0.43 0.00 0.00 52.55 53.54 2kwb s ASP 160 Cb -0.13 -2.41 0.18 0.00 -0.30 0.00 0.00 42.92 40.26 2kwb s ASP 160 CO 0.02 -0.66 0.55 -0.69 -0.17 0.00 0.00 175.17 174.22 2kwb s VAL 161 N 3.03 4.36 -1.52 1.11 1.01 0.54 -4.73 120.40 124.21 2kwb s VAL 161 Ca 0.33 -2.77 -0.04 0.00 0.00 0.00 0.00 61.98 59.50 2kwb s VAL 161 Cb -0.14 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2kwb s VAL 161 CO 0.14 -0.93 0.39 -0.67 0.00 0.00 0.00 175.10 174.04 2kwb n ASP 162 N 3.69 -5.49 0.00 3.32 2.03 -1.26 -1.20 116.55 117.64 2kwb n ASP 162 Ca 0.09 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2kwb n ASP 162 Cb 0.41 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 36.31 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 163 N -1.29 0.93 2.99 0.27 0.00 -1.26 -5.07 105.19 101.76 2kwb n GLY 163 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 1.90 -0.61 2.61 2.01 -0.34 -5.09 115.64 114.13 2kwb s THR 164 Ca 0.00 -1.71 -0.28 0.00 0.31 0.00 0.00 61.69 60.01 2kwb s THR 164 Cb 0.00 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.32 2kwb s THR 164 CO 0.00 -0.28 1.32 -0.70 -0.69 0.00 0.00 174.62 174.26 2kwb s GLU 165 N 1.17 3.34 0.04 4.92 2.12 -1.26 -0.34 118.70 128.69 2kwb s GLU 165 Ca -0.00 0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.64 2kwb s GLU 165 Cb -0.19 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.07 2kwb s GLU 165 CO -0.08 -1.91 -0.23 0.14 -0.54 0.00 0.00 175.26 172.63 2kwb s VAL 166 N 5.66 2.38 0.45 3.70 -7.23 0.62 -4.87 120.40 121.12 2kwb s VAL 166 Ca 0.45 -1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 59.11 2kwb s VAL 166 Cb -0.09 -1.94 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 2kwb s VAL 166 CO 0.23 0.38 1.15 -2.84 -0.31 0.00 0.00 175.10 173.71 2kwb s PRO 167 N -1.24 3.81 0.05 4.82 0.02 -1.26 -0.89 135.00 140.31 2kwb s PRO 167 Ca 0.12 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.91 2kwb s PRO 167 Cb -0.10 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 31.97 2kwb s PRO 167 CO 0.03 -0.50 -0.08 0.99 -0.33 0.00 0.00 177.00 177.11 2kwb s THR 168 N -1.56 0.55 -0.10 0.99 2.01 0.28 -4.27 115.64 113.54 2kwb s THR 168 Ca 0.63 -1.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.36 2kwb s THR 168 Cb -0.28 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 2kwb s THR 168 CO 0.34 -0.42 0.31 -0.22 -0.69 0.00 0.00 174.62 173.94 2kwb s LEU 169 N -1.69 4.35 -0.07 4.42 2.96 -0.19 -0.62 118.68 127.85 2kwb s LEU 169 Ca -0.08 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2kwb s LEU 169 Cb -0.09 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.22 2kwb s LEU 169 CO -0.00 0.24 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.81 2kwb s MET 170 N -0.37 1.90 0.00 1.98 -2.45 0.08 -1.89 119.30 118.56 2kwb s MET 170 Ca 0.19 -0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 2kwb s MET 170 Cb -0.14 -1.54 -0.00 0.00 1.25 0.00 0.00 34.83 34.40 2kwb s MET 170 CO 0.07 0.05 -0.01 -0.51 1.05 0.00 0.00 175.02 175.68 2kwb s LEU 171 N 0.60 2.04 -0.03 4.11 1.43 -0.99 -2.60 118.68 123.24 2kwb s LEU 171 Ca -0.15 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2kwb s LEU 171 Cb -0.16 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2kwb s LEU 171 CO 0.04 -0.04 0.67 -0.69 0.23 0.00 0.00 176.35 176.56 2kwb s VAL 172 N -0.26 4.96 0.27 -1.59 1.01 -1.26 0.28 120.40 123.81 2kwb s VAL 172 Ca -0.02 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.33 2kwb s VAL 172 Cb -0.02 -4.01 0.27 0.00 0.00 0.00 0.00 36.38 32.62 2kwb s VAL 172 CO -0.00 0.32 1.90 0.07 0.00 0.00 0.00 175.10 177.39 2kwb h LYS 173 N 6.24 1.16 0.00 2.72 2.10 -1.47 -0.54 116.57 126.78 2kwb h LYS 173 Ca -0.43 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2kwb h LYS 173 Cb 1.20 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2kwb h LYS 173 CO 0.73 0.77 0.00 0.39 -2.00 0.00 0.00 179.45 179.33 2kwb n GLU 174 N -4.47 0.76 -0.07 0.07 -0.58 -1.26 -2.65 120.64 112.44 2kwb n GLU 174 Ca 0.14 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.82 2kwb n GLU 174 Cb 0.15 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.01 1.67 -3.89 0.62 0.00 -0.27 -4.87 120.51 112.76 2kwb n ALA 175 Ca 0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 2kwb n ALA 175 Cb 0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.33 1.33 -0.29 0.00 2.07 -0.84 -1.51 121.20 119.63 2kwb s ILE 176 Ca -0.08 -1.14 -0.11 0.00 -1.41 0.00 0.00 60.65 57.91 2kwb s ILE 176 Cb 0.04 -1.68 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 2kwb s ILE 176 CO 0.54 -0.17 0.19 -0.63 -1.91 0.00 0.00 174.94 172.97 2kwb s ILE 177 N 1.48 5.17 -0.24 2.00 -1.09 -0.84 -4.62 121.20 123.05 2kwb s ILE 177 Ca -0.04 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.21 2kwb s ILE 177 Cb -0.18 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2kwb s ILE 177 CO -0.07 0.18 0.49 -1.83 -1.23 0.00 0.00 174.94 172.47 2kwb s GLU 178 N 1.73 4.10 -0.41 2.79 1.03 -1.26 -1.05 118.70 125.62 2kwb s GLU 178 Ca 0.07 0.29 -0.18 0.00 0.03 0.00 0.00 54.97 55.17 2kwb s GLU 178 Cb -0.16 -3.62 0.02 0.00 -0.80 0.00 0.00 34.13 29.56 2kwb s GLU 178 CO 0.10 -0.27 0.52 -2.00 -1.33 0.00 0.00 175.26 172.27 2kwb s GLU 179 N 2.05 3.26 -0.83 -4.83 2.56 0.16 -4.98 118.70 116.08 2kwb s GLU 179 Ca 0.21 -0.52 -0.24 0.00 0.00 0.00 0.00 54.97 54.42 2kwb s GLU 179 Cb -0.15 -3.93 0.05 0.00 2.00 0.00 0.00 34.13 32.10 2kwb s GLU 179 CO 0.09 -0.86 1.27 0.15 -0.56 0.00 0.00 175.26 175.35 2kwb s LYS 180 N 2.40 3.34 -0.85 4.30 1.02 -1.26 -2.47 119.74 126.23 2kwb s LYS 180 Ca 0.17 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 2kwb s LYS 180 Cb -0.16 -4.63 0.22 0.00 -0.52 0.00 0.00 37.83 32.74 2kwb s LYS 180 CO 0.15 -2.08 0.77 0.00 -0.92 0.00 0.00 175.35 173.27 2kwb s LEU 182 N -0.18 2.04 0.00 0.00 2.01 -1.26 -4.90 118.68 116.39 2kwb s LEU 182 Ca 0.20 -0.32 0.28 0.00 0.01 0.00 0.00 54.13 54.30 2kwb s LEU 182 Cb -0.11 -0.86 1.00 0.00 0.01 0.00 0.00 46.19 46.23 2kwb s LEU 182 CO -0.08 0.20 1.72 -1.84 1.01 0.00 0.00 176.35 177.35