#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwb s LEU 2 N 0.00 4.12 -0.18 4.03 2.96 0.67 -1.79 118.68 128.49 2kwb s LEU 2 Ca 0.00 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 2kwb s LEU 2 Cb 0.00 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 2kwb s LEU 2 CO 0.00 -0.08 0.03 -0.63 -1.32 0.00 0.00 176.35 174.35 2kwb s ILE 3 N 1.45 4.45 0.04 6.68 1.01 -0.56 -0.89 121.20 133.38 2kwb s ILE 3 Ca 0.17 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2kwb s ILE 3 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2kwb s ILE 3 CO 0.08 0.46 -0.23 -0.72 0.00 0.00 0.00 174.94 174.53 2kwb s TYR 4 N 0.45 2.01 -0.16 3.97 1.13 -0.02 -0.68 117.35 124.06 2kwb s TYR 4 Ca 0.01 -0.39 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 2kwb s TYR 4 Cb -0.13 -1.20 0.06 0.00 -1.10 0.00 0.00 41.96 39.58 2kwb s TYR 4 CO 0.01 0.11 0.07 0.21 -2.51 0.00 0.00 175.55 173.44 2kwb s LYS 5 N -1.20 0.21 0.68 -3.49 2.20 -0.36 -2.44 119.74 115.33 2kwb s LYS 5 Ca 0.09 -0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 55.50 2kwb s LYS 5 Cb -0.09 -1.75 0.03 0.00 -1.51 0.00 0.00 37.83 34.51 2kwb s LYS 5 CO 0.02 -0.62 1.03 0.34 -0.36 0.00 0.00 175.35 175.76 2kwb s ASP 6 N 2.07 5.28 0.34 1.43 2.15 -1.26 -0.33 116.67 126.34 2kwb s ASP 6 Ca 0.02 0.84 0.24 0.00 0.43 0.00 0.00 52.55 54.07 2kwb s ASP 6 Cb -0.16 -1.64 0.45 0.00 -0.30 0.00 0.00 42.92 41.28 2kwb s ASP 6 CO -0.08 -1.36 1.60 0.16 -0.17 0.00 0.00 175.17 175.32 2kwb h ILE 7 N -0.53 0.00 0.02 4.11 3.07 -1.97 -1.81 117.51 120.41 2kwb h ILE 7 Ca -0.45 -0.82 -0.39 0.00 1.55 0.00 0.00 64.86 64.75 2kwb h ILE 7 Cb 1.27 1.76 -0.06 0.00 -0.27 0.00 0.00 36.82 39.52 2kwb h ILE 7 CO 0.62 0.00 -2.33 0.49 -1.05 0.00 0.00 178.15 175.88 2kwb n PHE 8 N -2.77 0.29 -0.92 0.16 3.72 -1.26 -4.55 117.46 112.13 2kwb n PHE 8 Ca 0.04 0.08 0.08 0.00 -0.05 0.00 0.00 57.45 57.59 2kwb n PHE 8 Cb 0.50 -1.04 0.35 0.00 -0.94 0.00 0.00 39.48 38.36 2kwb n PHE 8 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2kwb n THR 9 N -3.59 2.56 -0.33 4.37 5.66 -1.24 -4.77 114.28 116.93 2kwb n THR 9 Ca -0.45 -1.56 0.21 0.00 -3.05 0.00 0.00 64.05 59.21 2kwb n THR 9 Cb 0.96 -0.25 0.43 0.00 -1.55 0.00 0.00 70.33 69.92 2kwb n THR 9 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2kwb h ASP 10 N 3.26 0.52 -0.84 1.09 2.03 -1.56 0.32 116.42 121.23 2kwb h ASP 10 Ca 0.00 0.17 0.18 0.00 -0.73 0.00 0.00 57.03 56.65 2kwb h ASP 10 Cb 1.78 0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 40.33 2kwb h ASP 10 CO 0.39 -0.06 0.56 -0.78 -1.03 0.00 0.00 179.24 178.32 2kwb h ASP 11 N 0.40 0.41 -0.14 4.15 3.58 -1.86 -1.31 116.42 121.65 2kwb h ASP 11 Ca 0.69 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 58.11 2kwb h ASP 11 Cb 1.47 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.44 2kwb h ASP 11 CO -0.57 0.19 0.07 -0.62 -2.88 0.00 0.00 179.24 175.43 2kwb n GLU 12 N -4.50 1.37 -0.77 0.28 1.02 0.11 -4.94 120.64 113.21 2kwb n GLU 12 Ca 0.17 -0.51 -0.36 0.00 -0.02 0.00 0.00 57.16 56.44 2kwb n GLU 12 Cb 0.62 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.18 0.43 0.00 -4.62 7.94 -0.50 -4.89 117.00 115.55 2kwb n LEU 13 Ca 0.08 0.39 -0.15 0.00 -1.11 0.00 0.00 56.01 55.22 2kwb n LEU 13 Cb 0.60 -0.55 -0.04 0.00 0.53 0.00 0.00 43.42 43.96 2kwb n LEU 13 CO 0.09 -0.46 -0.10 -0.24 -1.11 0.00 0.00 177.39 175.56 2kwb n SER 14 N 4.67 1.03 -3.74 1.96 2.88 -1.02 -4.99 113.62 114.41 2kwb n SER 14 Ca 0.34 -2.34 -0.13 0.00 -1.33 0.00 0.00 58.87 55.40 2kwb n SER 14 Cb -0.02 0.66 -0.10 0.00 -0.75 0.00 0.00 64.21 64.00 2kwb n SER 14 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kwb s SER 15 N -2.54 -0.32 0.00 -3.46 1.04 -1.26 -0.84 113.70 106.33 2kwb s SER 15 Ca 0.13 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2kwb s SER 15 Cb 0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2kwb s SER 15 CO 0.09 -0.27 0.00 -0.90 0.98 0.00 0.00 173.24 173.14 2kwb n ASP 16 N 2.18 0.00 -3.27 7.02 5.68 -0.07 -4.94 116.55 123.14 2kwb n ASP 16 Ca -0.17 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 53.96 2kwb n ASP 16 Cb 0.57 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.48 2kwb n ASP 16 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2kwb s SER 17 N 1.24 0.75 -0.27 -1.12 0.15 -1.26 -0.24 113.70 112.95 2kwb s SER 17 Ca 0.00 -1.91 -0.03 0.00 0.70 0.00 0.00 55.95 54.70 2kwb s SER 17 Cb 0.00 0.59 0.09 0.00 -1.71 0.00 0.00 66.02 64.99 2kwb s SER 17 CO 0.00 -0.20 0.11 -0.36 1.20 0.00 0.00 173.24 173.99 2kwb s PHE 18 N 1.05 0.59 0.45 3.44 0.08 -1.26 -5.06 117.98 117.28 2kwb s PHE 18 Ca 0.22 -0.95 -0.25 0.00 0.12 0.00 0.00 56.93 56.07 2kwb s PHE 18 Cb -0.09 -1.02 -0.08 0.00 -0.57 0.00 0.00 43.02 41.25 2kwb s PHE 18 CO -0.06 -0.78 1.42 -2.14 -0.10 0.00 0.00 175.22 173.56 2kwb s PRO 19 N 2.01 3.70 0.10 0.24 0.02 -1.26 -5.05 135.00 134.76 2kwb s PRO 19 Ca 0.08 2.41 -0.08 0.00 0.02 0.00 0.00 61.00 63.43 2kwb s PRO 19 Cb -0.16 -2.66 -0.01 0.00 0.02 0.00 0.00 34.50 31.69 2kwb s PRO 19 CO -0.29 -0.80 0.19 0.00 -0.33 0.00 0.00 177.00 175.76 2kwb s MET 20 N -2.44 0.90 0.23 5.54 0.23 -1.26 -4.80 119.30 117.69 2kwb s MET 20 Ca 0.61 -1.04 0.04 0.00 -1.03 0.00 0.00 55.69 54.27 2kwb s MET 20 Cb -0.44 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.17 2kwb s MET 20 CO 0.56 -0.29 0.36 -1.59 -2.03 0.00 0.00 175.02 172.03 2kwb s LYS 21 N -3.89 3.45 -0.35 3.16 -2.85 -1.12 -4.96 119.74 113.17 2kwb s LYS 21 Ca 0.08 -0.68 -0.09 0.00 -1.00 0.00 0.00 55.97 54.29 2kwb s LYS 21 Cb 0.05 -2.89 0.03 0.00 -2.06 0.00 0.00 37.83 32.96 2kwb s LYS 21 CO -0.08 0.43 0.15 -1.17 0.10 0.00 0.00 175.35 174.78 2kwb s LEU 22 N -3.83 4.47 -0.00 2.77 2.96 -1.26 -0.57 118.68 123.22 2kwb s LEU 22 Ca 0.35 -1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.21 2kwb s LEU 22 Cb -0.10 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2kwb s LEU 22 CO 0.29 -0.34 0.09 0.54 -1.32 0.00 0.00 176.35 175.61 2kwb s VAL 23 N 1.48 4.79 -0.10 1.68 0.11 0.79 -4.47 120.40 124.68 2kwb s VAL 23 Ca 0.00 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2kwb s VAL 23 Cb -0.19 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2kwb s VAL 23 CO 0.05 0.35 0.00 -0.67 -3.33 0.00 0.00 175.10 171.49 2kwb n ASP 24 N 1.16 -5.39 -0.33 3.54 2.03 -1.26 -2.15 116.55 114.16 2kwb n ASP 24 Ca -0.13 0.02 -0.04 0.00 0.52 0.00 0.00 54.79 55.16 2kwb n ASP 24 Cb 0.53 -2.97 -0.02 0.00 -0.72 0.00 0.00 41.12 37.94 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kwb n ASP 25 N -0.80 -5.78 0.00 1.67 8.00 -1.26 -4.69 116.55 113.69 2kwb n ASP 25 Ca -0.01 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2kwb n ASP 25 Cb 0.41 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 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 -0.48 1.28 -4.22 0.64 7.94 -1.02 -5.00 117.00 116.13 2kwb n LEU 26 Ca -0.04 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.64 2kwb n LEU 26 Cb 0.52 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.34 2kwb n LEU 26 CO 0.06 0.15 -0.49 0.68 -1.11 0.00 0.00 177.39 176.69 2kwb s VAL 27 N -1.74 1.41 0.01 1.96 -7.23 -0.91 -1.30 120.40 112.60 2kwb s VAL 27 Ca 0.00 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 2kwb s VAL 27 Cb 0.00 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 2kwb s VAL 27 CO 0.00 -0.08 0.67 -0.31 -0.31 0.00 0.00 175.10 175.08 2kwb s TYR 28 N -1.11 3.70 -0.40 2.82 2.02 0.89 -0.15 117.35 125.11 2kwb s TYR 28 Ca 0.03 1.32 -0.12 0.00 -0.37 0.00 0.00 57.07 57.93 2kwb s TYR 28 Cb -0.10 -2.71 0.05 0.00 -0.40 0.00 0.00 41.96 38.80 2kwb s TYR 28 CO 0.03 0.30 0.26 -2.00 -1.57 0.00 0.00 175.55 172.56 2kwb s GLU 29 N -0.05 2.80 -0.14 -0.62 2.12 0.26 -2.27 118.70 120.80 2kwb s GLU 29 Ca 0.35 -1.21 -0.20 0.00 0.36 0.00 0.00 54.97 54.27 2kwb s GLU 29 Cb -0.19 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 2kwb s GLU 29 CO 0.20 -0.82 0.55 0.12 -0.54 0.00 0.00 175.26 174.77 2kwb s PHE 30 N 1.55 3.47 0.08 5.30 2.19 -0.59 -2.80 117.98 127.19 2kwb s PHE 30 Ca 0.03 0.94 -0.30 0.00 0.33 0.00 0.00 56.93 57.92 2kwb s PHE 30 Cb -0.21 -2.67 -0.06 0.00 -1.31 0.00 0.00 43.02 38.77 2kwb s PHE 30 CO 0.06 0.04 1.18 -1.59 1.83 0.00 0.00 175.22 176.74 2kwb s LYS 31 N 1.10 4.46 0.26 10.12 0.00 -1.26 -1.44 119.74 132.98 2kwb s LYS 31 Ca 0.28 1.77 0.03 0.00 0.00 0.00 0.00 55.97 58.05 2kwb s LYS 31 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 37.83 34.31 2kwb s LYS 31 CO 0.12 -0.20 0.20 0.20 0.00 0.00 0.00 175.35 175.67 2kwb s GLY 32 N 0.84 1.85 0.20 0.59 0.00 -1.23 -4.68 107.32 104.90 2kwb s GLY 32 Ca 0.57 -1.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.28 2kwb s GLY 32 CO 0.30 -1.43 0.43 -1.59 0.00 0.00 0.00 173.10 170.82 2kwb s LYS 33 N -3.82 1.35 -0.46 2.90 -2.85 -1.26 -4.27 119.74 111.32 2kwb s LYS 33 Ca 0.40 -1.07 -0.28 0.00 -1.00 0.00 0.00 55.97 54.02 2kwb s LYS 33 Cb 0.05 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2kwb s LYS 33 CO 0.19 -0.55 1.66 -1.58 0.10 0.00 0.00 175.35 175.17 2kwb s HIS 34 N -3.94 1.99 0.05 1.78 5.65 -1.26 -1.90 115.29 117.65 2kwb s HIS 34 Ca 0.15 0.64 0.01 0.00 0.25 0.00 0.00 55.06 56.11 2kwb s HIS 34 Cb 0.01 -4.21 -0.03 0.00 -1.18 0.00 0.00 32.58 27.16 2kwb s HIS 34 CO 0.01 -2.40 -0.05 0.14 -0.65 0.00 0.00 174.74 171.79 2kwb s VAL 35 N 6.95 0.37 -0.03 0.89 -7.23 -0.89 -4.85 120.40 115.62 2kwb s VAL 35 Ca 0.68 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2kwb s VAL 35 Cb -0.16 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.82 2kwb s VAL 35 CO 0.29 -0.67 0.10 0.68 -0.31 0.00 0.00 175.10 175.19 2kwb s VAL 36 N -2.50 0.02 -0.24 1.32 -7.23 -1.26 -1.73 120.40 108.77 2kwb s VAL 36 Ca -0.03 -0.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2kwb s VAL 36 Cb -0.02 -0.21 0.06 0.00 0.56 0.00 0.00 36.38 36.76 2kwb s VAL 36 CO -0.04 -0.11 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.96 2kwb s ARG 37 N -0.32 1.96 -0.33 4.82 3.52 0.23 -4.61 118.95 124.23 2kwb s ARG 37 Ca -0.04 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 2kwb s ARG 37 Cb -0.03 -2.73 0.10 0.00 -1.56 0.00 0.00 34.95 30.74 2kwb s ARG 37 CO 0.00 -0.57 0.11 -1.59 -0.81 0.00 0.00 175.30 172.44 2kwb s LYS 38 N 1.25 0.89 -1.19 5.12 -2.85 -1.19 -2.07 119.74 119.69 2kwb s LYS 38 Ca -0.07 -1.30 -0.02 0.00 -1.00 0.00 0.00 55.97 53.58 2kwb s LYS 38 Cb -0.19 -2.20 0.01 0.00 -2.06 0.00 0.00 37.83 33.39 2kwb s LYS 38 CO -0.06 -1.00 0.12 0.39 0.10 0.00 0.00 175.35 174.90 2kwb n GLU 39 N 4.60 -2.55 0.00 1.78 -0.58 -1.26 -0.86 120.64 121.77 2kwb n GLU 39 Ca 0.00 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 2kwb n GLU 39 Cb 0.41 -5.28 0.00 0.00 -0.57 0.00 0.00 31.44 26.00 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kwb n GLY 40 N -0.93 3.00 3.68 0.62 0.00 -1.26 -5.04 105.19 105.27 2kwb n GLY 40 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.12 4.17 -0.49 1.61 2.56 -0.04 -4.97 118.70 121.41 2kwb s GLU 41 Ca 0.00 2.45 -0.14 0.00 0.00 0.00 0.00 54.97 57.27 2kwb s GLU 41 Cb 0.00 -3.75 0.09 0.00 2.00 0.00 0.00 34.13 32.47 2kwb s GLU 41 CO 0.00 -0.82 0.41 0.42 -0.56 0.00 0.00 175.26 174.70 2kwb s ILE 42 N 3.20 5.02 -0.24 -3.70 -1.09 -1.26 -3.20 121.20 119.93 2kwb s ILE 42 Ca 0.79 -1.29 0.10 0.00 -2.23 0.00 0.00 60.65 58.01 2kwb s ILE 42 Cb -0.41 -4.10 0.44 0.00 -1.58 0.00 0.00 42.46 36.81 2kwb s ILE 42 CO 0.35 -0.67 1.21 0.55 -1.23 0.00 0.00 174.94 175.14 2kwb n VAL 43 N 5.16 2.31 0.29 2.92 3.14 -1.26 -4.80 118.33 126.08 2kwb n VAL 43 Ca -0.12 -3.61 0.18 0.00 -2.96 0.00 0.00 64.34 57.83 2kwb n VAL 43 Cb 0.42 -0.57 0.75 0.00 -1.06 0.00 0.00 33.84 33.38 2kwb n VAL 43 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2kwb h LEU 44 N 1.47 0.00 0.00 6.55 8.10 -1.88 -2.32 115.31 127.23 2kwb h LEU 44 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.13 2kwb h LEU 44 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2kwb h LEU 44 CO 0.30 0.00 -0.53 0.00 -4.11 0.00 0.00 178.44 174.10 2kwb n ALA 45 N -2.08 2.93 -1.53 0.17 0.00 -1.26 -4.62 120.51 114.12 2kwb n ALA 45 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 2kwb n ALA 45 Cb 0.28 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2kwb n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kwb n GLY 46 N 1.36 3.29 3.70 0.00 0.00 -0.87 -4.89 105.19 107.78 2kwb n GLY 46 Ca 0.04 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2kwb n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 47 N 4.25 4.10 -0.38 1.61 1.04 -1.26 -5.12 113.70 117.93 2kwb s SER 47 Ca 0.53 -1.41 0.03 0.00 0.48 0.00 0.00 55.95 55.58 2kwb s SER 47 Cb 0.13 -0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.30 2kwb s SER 47 CO 0.03 -0.64 0.11 0.21 0.98 0.00 0.00 173.24 173.93 2kwb s ASN 48 N -3.83 4.80 -0.63 7.02 3.84 -1.26 -5.08 114.94 119.81 2kwb s ASN 48 Ca 0.26 -2.27 -0.26 0.00 0.21 0.00 0.00 52.86 50.80 2kwb s ASN 48 Cb 0.05 -1.67 -0.02 0.00 -0.55 0.00 0.00 41.25 39.06 2kwb s ASN 48 CO 0.14 -0.39 1.84 -2.84 -2.79 0.00 0.00 177.10 173.06 2kwb s PRO 49 N 0.76 2.65 0.08 0.43 0.02 -1.26 -4.97 135.00 132.70 2kwb s PRO 49 Ca 0.12 0.54 0.01 0.00 0.02 0.00 0.00 61.00 61.68 2kwb s PRO 49 Cb -0.21 -4.40 0.01 0.00 0.02 0.00 0.00 34.50 29.92 2kwb s PRO 49 CO -0.06 -2.73 0.06 -1.13 -0.33 0.00 0.00 177.00 172.80 2kwb n SER 50 N 12.65 1.35 0.09 2.53 3.41 -1.26 -5.02 113.62 127.38 2kwb n SER 50 Ca 0.20 -1.29 0.13 0.00 -0.26 0.00 0.00 58.87 57.65 2kwb n SER 50 Cb 0.52 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.92 2kwb n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kwb n ALA 51 N -2.82 2.13 -2.89 7.33 0.00 -1.26 -4.58 120.51 118.41 2kwb n ALA 51 Ca -0.03 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 2kwb n ALA 51 Cb 0.09 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 2kwb n ALA 51 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kwb s GLU 52 N -3.13 3.74 0.01 0.00 0.41 -1.26 -4.79 118.70 113.68 2kwb s GLU 52 Ca 0.10 -1.94 -0.19 0.00 -0.41 0.00 0.00 54.97 52.53 2kwb s GLU 52 Cb 0.13 -5.01 -0.24 0.00 -1.78 0.00 0.00 34.13 27.23 2kwb s GLU 52 CO 0.53 -1.82 1.10 1.05 -0.49 0.00 0.00 175.26 175.63 2kwb h GLU 53 N 8.42 0.43 -2.17 1.61 9.09 -2.01 -3.34 114.58 126.62 2kwb h GLU 53 Ca 0.21 -0.47 -0.78 0.00 0.05 0.00 0.00 59.36 58.37 2kwb h GLU 53 Cb 0.98 0.13 -0.28 0.00 -1.65 0.00 0.00 28.75 27.93 2kwb h GLU 53 CO 1.18 1.13 0.92 0.41 0.05 0.00 0.00 179.01 182.70 2kwb n GLY 54 N 1.09 5.95 0.03 1.06 0.00 -1.26 -4.77 105.19 107.28 2kwb n GLY 54 Ca -0.10 -2.57 0.08 0.00 0.00 0.00 0.00 46.02 43.42 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 55 N -0.21 1.61 -2.70 4.61 0.00 -1.26 -4.88 120.51 117.69 2kwb n ALA 55 Ca 0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 2kwb n ALA 55 Cb 0.27 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.48 2kwb n ALA 55 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kwb n GLU 56 N -1.68 -2.90 -3.04 0.00 2.13 -1.26 -5.00 120.64 108.88 2kwb n GLU 56 Ca 0.03 0.56 -0.41 0.00 0.66 0.00 0.00 57.16 58.01 2kwb n GLU 56 Cb 0.17 -4.70 -0.05 0.00 0.27 0.00 0.00 31.44 27.13 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kwb s ASP 57 N -2.80 6.76 0.00 4.31 1.11 -1.26 -4.93 116.67 119.85 2kwb s ASP 57 Ca 0.18 0.93 0.10 0.00 0.18 0.00 0.00 52.55 53.93 2kwb s ASP 57 Cb -0.08 -2.38 0.22 0.00 1.07 0.00 0.00 42.92 41.75 2kwb s ASP 57 CO 0.22 -0.34 1.11 -0.90 1.18 0.00 0.00 175.17 176.44 2kwb n ASP 58 N 5.24 2.55 -4.57 0.27 5.75 -1.26 -4.95 116.55 119.59 2kwb n ASP 58 Ca 0.01 -1.83 -0.18 0.00 -0.01 0.00 0.00 54.79 52.78 2kwb n ASP 58 Cb 0.49 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.36 2kwb n ASP 58 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2kwb s GLY 59 N -0.95 -0.61 -0.03 6.12 0.00 -1.26 -4.54 107.32 106.04 2kwb s GLY 59 Ca 0.18 -1.25 0.25 0.00 0.00 0.00 0.00 44.72 43.90 2kwb s GLY 59 CO 0.14 4.03 1.16 1.44 0.00 0.00 0.00 173.10 179.88 2kwb n SER 60 N 17.61 1.08 -2.12 1.64 7.64 -1.26 -4.89 113.62 133.32 2kwb n SER 60 Ca 0.44 -2.04 -0.17 0.00 1.01 0.00 0.00 58.87 58.12 2kwb n SER 60 Cb 0.45 -0.32 0.22 0.00 -1.01 0.00 0.00 64.21 63.55 2kwb n SER 60 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kwb n ASP 61 N 0.35 4.15 -1.04 6.43 5.75 -1.26 -4.57 116.55 126.35 2kwb n ASP 61 Ca 0.06 -3.42 0.06 0.00 -0.01 0.00 0.00 54.79 51.48 2kwb n ASP 61 Cb 1.10 -0.80 0.22 0.00 -1.03 0.00 0.00 41.12 40.61 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2kwb n GLU 62 N -0.72 2.59 0.00 0.11 0.28 -1.26 -4.91 120.64 116.72 2kwb n GLU 62 Ca 0.51 -1.73 0.00 0.00 -0.16 0.00 0.00 57.16 55.79 2kwb n GLU 62 Cb 1.54 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 32.80 2kwb n GLU 62 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kwb n HIS 63 N 0.62 0.00 -1.59 -1.84 8.25 -1.26 -4.95 115.22 114.45 2kwb n HIS 63 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2kwb n HIS 63 Cb 0.57 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.68 2kwb n HIS 63 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2kwb n VAL 64 N 0.00 2.31 -1.54 1.59 0.31 -1.26 -4.83 118.33 114.91 2kwb n VAL 64 Ca 0.00 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 2kwb n VAL 64 Cb 0.00 -1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 31.85 2kwb n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kwb n GLU 65 N 0.28 3.05 -3.39 5.55 2.13 -0.88 -4.91 120.64 122.48 2kwb n GLU 65 Ca 0.10 -2.40 -0.38 0.00 0.66 0.00 0.00 57.16 55.14 2kwb n GLU 65 Cb 0.38 -3.09 -0.06 0.00 0.27 0.00 0.00 31.44 28.94 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 2.95 4.20 0.00 5.31 3.52 -1.26 -0.60 118.95 133.06 2kwb s ARG 66 Ca 0.55 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 2kwb s ARG 66 Cb 0.15 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2kwb s ARG 66 CO -0.07 0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 2kwb n GLY 67 N 2.74 -0.53 3.60 8.12 0.00 -0.71 -5.02 105.19 113.39 2kwb n GLY 67 Ca -0.10 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kwb s ILE 68 N -2.31 3.74 0.37 -0.61 1.01 -1.26 -2.09 121.20 120.04 2kwb s ILE 68 Ca 0.00 -0.59 0.16 0.00 0.00 0.00 0.00 60.65 60.22 2kwb s ILE 68 Cb 0.00 -2.58 0.36 0.00 0.01 0.00 0.00 42.46 40.26 2kwb s ILE 68 CO 0.00 0.51 1.73 -0.78 0.00 0.00 0.00 174.94 176.40 2kwb h ASP 69 N 4.91 0.52 0.46 3.58 3.58 -1.71 -1.63 116.42 126.15 2kwb h ASP 69 Ca -0.49 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 2kwb h ASP 69 Cb 1.17 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kwb h ASP 69 CO 0.53 0.05 -0.22 0.40 -2.88 0.00 0.00 179.24 177.12 2kwb h ILE 70 N 0.44 0.54 -0.18 2.25 2.04 -1.86 -1.03 117.51 119.71 2kwb h ILE 70 Ca 0.64 -0.06 -0.20 0.00 1.00 0.00 0.00 64.86 66.24 2kwb h ILE 70 Cb 1.50 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2kwb h ILE 70 CO -0.40 0.01 -0.67 -0.37 0.00 0.00 0.00 178.15 176.72 2kwb h VAL 71 N -0.66 1.30 -0.32 1.67 -1.51 -1.79 -2.72 116.25 112.22 2kwb h VAL 71 Ca -0.06 -1.91 -0.09 0.00 -1.23 0.00 0.00 66.70 63.40 2kwb h VAL 71 Cb 0.50 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2kwb h VAL 71 CO 0.10 0.60 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.81 2kwb h LEU 72 N 0.51 0.70 -0.81 4.19 3.38 -1.37 0.99 115.31 122.89 2kwb h LEU 72 Ca -0.02 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.63 2kwb h LEU 72 Cb 1.27 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 2kwb h LEU 72 CO 0.13 0.96 0.46 -1.13 0.09 0.00 0.00 178.44 178.95 2kwb h ASN 73 N 0.44 0.64 -0.13 -0.43 -0.73 -1.16 -2.60 115.58 111.61 2kwb h ASN 73 Ca 0.07 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2kwb h ASN 73 Cb 0.71 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.23 2kwb h ASN 73 CO 0.05 0.36 0.00 1.41 -0.37 0.00 0.00 177.43 178.88 2kwb n HIS 74 N -4.76 0.15 -3.30 0.67 8.25 -1.03 -5.00 115.22 110.19 2kwb n HIS 74 Ca 0.14 -0.07 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 2kwb n HIS 74 Cb 0.29 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.40 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kwb n LYS 75 N 1.27 -1.41 -4.32 -0.41 4.01 -0.04 -4.76 118.16 112.49 2kwb n LYS 75 Ca 0.16 1.21 -0.35 0.00 -0.51 0.00 0.00 58.31 58.83 2kwb n LYS 75 Cb 0.57 -4.73 -0.10 0.00 -0.51 0.00 0.00 35.03 30.27 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 -4.46 3.58 0.31 -0.35 1.43 0.14 -2.29 118.68 117.04 2kwb s LEU 76 Ca 0.04 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2kwb s LEU 76 Cb -0.01 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 2kwb s LEU 76 CO 0.80 0.33 0.66 0.54 0.23 0.00 0.00 176.35 178.90 2kwb s VAL 77 N -0.57 4.82 0.14 -1.59 0.11 0.26 -4.83 120.40 118.75 2kwb s VAL 77 Ca 0.10 0.62 -0.31 0.00 -2.93 0.00 0.00 61.98 59.46 2kwb s VAL 77 Cb -0.12 -3.65 -0.08 0.00 -1.53 0.00 0.00 36.38 31.00 2kwb s VAL 77 CO 0.02 -0.24 1.37 -1.83 -3.33 0.00 0.00 175.10 171.10 2kwb s GLU 78 N -3.18 4.33 0.04 1.54 -1.05 -1.26 -2.59 118.70 116.53 2kwb s GLU 78 Ca 0.50 2.08 0.00 0.00 -0.15 0.00 0.00 54.97 57.41 2kwb s GLU 78 Cb -0.11 -3.23 -0.03 0.00 -0.44 0.00 0.00 34.13 30.33 2kwb s GLU 78 CO 0.23 -0.39 -0.05 -1.64 0.95 0.00 0.00 175.26 174.36 2kwb s MET 79 N 0.72 0.50 0.24 -4.83 -1.94 0.65 -4.94 119.30 109.70 2kwb s MET 79 Ca 0.62 -0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 53.54 2kwb s MET 79 Cb -0.37 0.01 0.02 0.00 2.01 0.00 0.00 34.83 36.49 2kwb s MET 79 CO 0.33 -0.04 0.59 0.54 -0.01 0.00 0.00 175.02 176.43 2kwb s ASN 80 N -2.04 -0.22 0.18 3.03 2.20 -1.26 -1.78 114.94 115.04 2kwb s ASN 80 Ca -0.06 -0.64 -0.18 0.00 -0.94 0.00 0.00 52.86 51.04 2kwb s ASN 80 Cb -0.04 0.64 0.13 0.00 -2.00 0.00 0.00 41.25 39.98 2kwb s ASN 80 CO -0.03 -1.19 1.31 0.00 -2.94 0.00 0.00 177.10 174.25 2kwb h TYR 82 N 0.00 0.19 0.05 0.00 -0.00 -2.00 0.20 116.97 115.41 2kwb h TYR 82 Ca 0.25 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.65 2kwb h TYR 82 Cb 0.46 -0.06 -0.04 0.00 -0.00 0.00 0.00 36.73 37.09 2kwb h TYR 82 CO -0.78 0.10 -1.87 0.39 -0.00 0.00 0.00 178.16 176.00 2kwb n GLU 83 N -4.46 0.66 0.23 0.10 -0.58 -0.59 -4.43 120.64 111.58 2kwb n GLU 83 Ca 0.06 0.36 0.16 0.00 -0.42 0.00 0.00 57.16 57.32 2kwb n GLU 83 Cb 0.36 -1.68 0.71 0.00 -0.57 0.00 0.00 31.44 30.26 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kwb h ASP 84 N -0.42 0.00 -0.55 1.62 5.19 -0.65 -3.26 116.42 118.35 2kwb h ASP 84 Ca -0.45 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.02 2kwb h ASP 84 Cb 1.72 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 41.15 2kwb h ASP 84 CO -0.09 0.00 -0.51 0.00 -3.12 0.00 0.00 179.24 175.51 2kwb h ALA 85 N 2.08 -0.66 0.00 3.45 0.00 -0.83 0.51 119.26 123.81 2kwb h ALA 85 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2kwb h ALA 85 Cb 0.34 1.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2kwb h ALA 85 CO 0.00 -0.95 -0.47 0.77 0.00 0.00 0.00 179.25 178.60 2kwb h SER 86 N -0.24 0.00 0.35 0.00 0.02 -1.86 -2.61 113.55 109.21 2kwb h SER 86 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2kwb h SER 86 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2kwb h SER 86 CO -0.64 0.47 -0.17 -0.03 -1.14 0.00 0.00 176.83 175.32 2kwb h MET 87 N 0.00 -0.45 0.00 3.45 -1.53 -0.87 -1.14 114.93 114.40 2kwb h MET 87 Ca -0.00 0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 2kwb h MET 87 Cb 0.99 0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 32.14 2kwb h MET 87 CO 0.06 -0.30 -0.06 0.27 0.14 0.00 0.00 176.91 177.02 2kwb h PHE 88 N -0.53 0.00 0.54 1.39 -5.15 -0.24 0.10 116.94 113.06 2kwb h PHE 88 Ca -0.05 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.70 2kwb h PHE 88 Cb 0.36 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.53 2kwb h PHE 88 CO 0.11 0.06 -0.26 -0.22 -2.00 0.00 0.00 178.31 176.00 2kwb h LYS 89 N 0.00 -0.71 -0.68 6.09 3.64 -1.40 0.84 116.57 124.36 2kwb h LYS 89 Ca -0.00 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2kwb h LYS 89 Cb 0.26 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2kwb h LYS 89 CO 0.01 -0.46 0.18 0.00 -2.27 0.00 0.00 179.45 176.91 2kwb h ALA 90 N -0.32 0.89 0.39 5.00 0.00 -0.58 -0.72 119.26 123.92 2kwb h ALA 90 Ca -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2kwb h ALA 90 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kwb h ALA 90 CO 0.12 0.60 -0.31 -0.92 0.00 0.00 0.00 179.25 178.74 2kwb h TYR 91 N 1.01 -0.82 -0.14 0.00 3.20 -0.80 -0.50 116.97 118.91 2kwb h TYR 91 Ca 0.21 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 2kwb h TYR 91 Cb 0.35 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2kwb h TYR 91 CO 0.03 -0.45 -0.32 0.97 -1.64 0.00 0.00 178.16 176.74 2kwb h ILE 92 N -0.70 1.27 0.33 1.81 6.09 -0.80 -0.10 117.51 125.42 2kwb h ILE 92 Ca -0.03 -1.32 -0.02 0.00 -1.37 0.00 0.00 64.86 62.12 2kwb h ILE 92 Cb 0.61 1.53 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2kwb h ILE 92 CO -0.01 0.40 -0.16 0.50 -3.07 0.00 0.00 178.15 175.81 2kwb h LYS 93 N 0.24 -0.43 -0.68 2.19 1.63 -0.97 0.60 116.57 119.15 2kwb h LYS 93 Ca 0.03 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 2kwb h LYS 93 Cb 0.70 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 2kwb h LYS 93 CO 0.05 -0.13 0.23 -0.22 -3.45 0.00 0.00 179.45 175.94 2kwb h LYS 94 N -0.73 1.04 0.39 1.90 3.64 -1.07 -2.80 116.57 118.95 2kwb h LYS 94 Ca -0.05 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2kwb h LYS 94 Cb 0.50 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2kwb h LYS 94 CO 0.07 0.89 -0.44 0.35 -2.27 0.00 0.00 179.45 178.06 2kwb h PHE 95 N 0.98 -1.21 -0.38 1.91 3.57 -1.00 -0.07 116.94 120.74 2kwb h PHE 95 Ca 0.22 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.81 2kwb h PHE 95 Cb 0.27 0.48 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 2kwb h PHE 95 CO 0.02 -0.59 -0.21 1.98 -2.23 0.00 0.00 178.31 177.28 2kwb h MET 96 N -0.86 -0.14 0.04 1.11 4.05 -0.79 0.01 114.93 118.36 2kwb h MET 96 Ca -0.04 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2kwb h MET 96 Cb 0.77 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2kwb h MET 96 CO -0.09 -0.09 -0.02 -0.22 0.23 0.00 0.00 176.91 176.72 2kwb h LYS 97 N -0.14 -0.05 -0.08 0.39 3.64 -1.49 -2.70 116.57 116.14 2kwb h LYS 97 Ca 0.19 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2kwb h LYS 97 Cb 0.43 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2kwb h LYS 97 CO -0.47 0.13 -0.06 -0.97 -2.27 0.00 0.00 179.45 175.81 2kwb h ASN 98 N -0.23 -0.20 -0.40 4.20 -0.00 -0.36 0.81 115.58 119.41 2kwb h ASN 98 Ca -0.01 0.04 -0.15 0.00 -0.00 0.00 0.00 56.30 56.19 2kwb h ASN 98 Cb 0.21 0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.63 2kwb h ASN 98 CO 0.01 -0.09 -0.34 -0.37 -0.00 0.00 0.00 177.43 176.64 2kwb h VAL 99 N -0.08 1.27 -0.09 2.57 -1.51 -1.09 -2.37 116.25 114.96 2kwb h VAL 99 Ca 0.05 -1.51 -0.19 0.00 -1.23 0.00 0.00 66.70 63.83 2kwb h VAL 99 Cb 0.15 1.35 0.01 0.00 -2.13 0.00 0.00 31.29 30.67 2kwb h VAL 99 CO -0.12 0.51 -0.67 -0.29 -1.23 0.00 0.00 177.57 175.76 2kwb h ILE 100 N 0.75 1.33 0.00 7.19 6.09 -1.37 -0.16 117.51 131.35 2kwb h ILE 100 Ca 0.07 -1.95 -0.01 0.00 -1.37 0.00 0.00 64.86 61.59 2kwb h ILE 100 Cb 0.93 2.20 -0.00 0.00 0.47 0.00 0.00 36.82 40.42 2kwb h ILE 100 CO 0.09 0.60 -0.05 -0.78 -3.07 0.00 0.00 178.15 174.93 2kwb h ASP 101 N 0.26 0.00 0.09 2.19 3.58 -0.87 0.12 116.42 121.79 2kwb h ASP 101 Ca -0.06 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2kwb h ASP 101 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2kwb h ASP 101 CO 0.14 0.05 -0.05 -0.74 -2.88 0.00 0.00 179.24 175.76 2kwb h HIS 102 N 0.00 -0.12 -0.35 0.28 2.76 -1.34 -3.32 115.15 113.07 2kwb h HIS 102 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2kwb h HIS 102 Cb 0.10 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 2kwb h HIS 102 CO 0.00 -0.07 0.09 1.98 -1.30 0.00 0.00 177.93 178.63 2kwb h MET 103 N -0.51 0.55 0.00 5.26 1.85 -0.89 -2.22 114.93 118.97 2kwb h MET 103 Ca -0.01 -0.13 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 2kwb h MET 103 Cb 0.10 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.05 2kwb h MET 103 CO 0.02 0.59 0.00 -1.91 -0.40 0.00 0.00 176.91 175.22 2kwb n GLU 104 N -4.63 0.07 0.07 0.39 2.13 0.41 -1.21 120.64 117.87 2kwb n GLU 104 Ca -0.01 0.35 -0.22 0.00 0.66 0.00 0.00 57.16 57.94 2kwb n GLU 104 Cb 0.19 -1.65 -0.15 0.00 0.27 0.00 0.00 31.44 30.10 2kwb n GLU 104 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2kwb h LYS 105 N 0.00 0.36 0.10 5.31 3.64 -1.50 -3.11 116.57 121.37 2kwb h LYS 105 Ca 0.00 -0.62 -0.34 0.00 -1.27 0.00 0.00 60.65 58.41 2kwb h LYS 105 Cb 0.25 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2kwb h LYS 105 CO 0.00 1.30 -1.88 -2.95 -2.27 0.00 0.00 179.45 173.64 2kwb h ASN 106 N -0.15 0.32 0.19 4.20 -1.07 -1.40 -3.41 115.58 114.26 2kwb h ASN 106 Ca -0.24 -0.69 -0.01 0.00 0.07 0.00 0.00 56.30 55.43 2kwb h ASN 106 Cb 1.88 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 38.03 2kwb h ASN 106 CO 0.17 1.61 -0.09 -1.13 0.07 0.00 0.00 177.43 178.06 2kwb h ASN 107 N 0.06 -0.22 0.00 6.14 -0.73 -1.36 -3.47 115.58 116.00 2kwb h ASN 107 Ca -0.37 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.80 2kwb h ASN 107 Cb 2.03 0.06 0.00 0.00 0.27 0.00 0.00 38.32 40.68 2kwb h ASN 107 CO 0.10 0.24 0.00 -1.14 -0.37 0.00 0.00 177.43 176.25 2kwb n ARG 108 N -4.85 0.00 -2.65 6.67 0.00 -1.18 -4.95 116.66 109.70 2kwb n ARG 108 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.40 2kwb n ARG 108 Cb 0.10 -1.88 -0.03 0.00 0.00 0.00 0.00 32.46 30.65 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kwb s ASP 109 N -0.83 7.31 0.00 6.15 1.01 -1.26 -4.91 116.67 124.13 2kwb s ASP 109 Ca 0.00 1.72 0.06 0.00 0.71 0.00 0.00 52.55 55.04 2kwb s ASP 109 Cb 0.00 -2.57 0.28 0.00 1.01 0.00 0.00 42.92 41.64 2kwb s ASP 109 CO 0.00 -0.31 1.12 0.29 0.21 0.00 0.00 175.17 176.48 2kwb n LYS 110 N 3.98 0.04 0.03 8.23 5.02 -1.26 -2.05 118.16 132.15 2kwb n LYS 110 Ca 0.07 0.32 -0.19 0.00 -2.02 0.00 0.00 58.31 56.48 2kwb n LYS 110 Cb 0.50 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwb h ALA 111 N 2.24 0.10 0.00 7.82 0.00 -2.00 -3.34 119.26 124.08 2kwb h ALA 111 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2kwb h ALA 111 Cb 0.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kwb h ALA 111 CO 0.00 0.57 -0.60 -0.25 0.00 0.00 0.00 179.25 178.96 2kwb n ASP 112 N -3.98 1.48 -0.20 0.00 8.00 -0.87 -4.19 116.55 116.78 2kwb n ASP 112 Ca -0.11 0.40 0.05 0.00 0.71 0.00 0.00 54.79 55.84 2kwb n ASP 112 Cb 0.82 -0.74 0.33 0.00 -0.02 0.00 0.00 41.12 41.50 2kwb n ASP 112 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2kwb h VAL 113 N -0.79 1.05 -0.32 2.53 -1.51 -1.74 -0.03 116.25 115.43 2kwb h VAL 113 Ca 0.00 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.16 2kwb h VAL 113 Cb 0.60 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 2kwb h VAL 113 CO 0.00 0.15 0.11 -0.78 -1.23 0.00 0.00 177.57 175.82 2kwb h ASP 114 N 0.82 0.47 -0.80 4.19 3.58 -1.76 0.21 116.42 123.13 2kwb h ASP 114 Ca 0.32 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2kwb h ASP 114 Cb 0.21 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2kwb h ASP 114 CO -0.10 0.54 0.42 0.00 -2.88 0.00 0.00 179.24 177.22 2kwb h ALA 115 N 0.94 1.02 0.65 -0.78 0.00 -1.39 0.83 119.26 120.54 2kwb h ALA 115 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kwb h ALA 115 Cb 0.24 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kwb h ALA 115 CO -0.00 0.55 -0.31 0.35 0.00 0.00 0.00 179.25 179.84 2kwb h PHE 116 N 1.11 -0.81 -0.62 0.00 3.57 -0.91 0.35 116.94 119.64 2kwb h PHE 116 Ca 0.28 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.87 2kwb h PHE 116 Cb 0.06 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 2kwb h PHE 116 CO 0.01 -0.47 0.19 -0.22 -2.23 0.00 0.00 178.31 175.59 2kwb h LYS 117 N -1.04 0.33 -0.83 1.11 3.64 -0.89 -0.41 116.57 118.49 2kwb h LYS 117 Ca -0.09 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2kwb h LYS 117 Cb 0.71 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2kwb h LYS 117 CO 0.15 0.22 0.39 -0.22 -2.27 0.00 0.00 179.45 177.71 2kwb h LYS 118 N 0.34 1.20 0.03 1.90 3.64 -0.81 -0.91 116.57 121.96 2kwb h LYS 118 Ca 0.32 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2kwb h LYS 118 Cb 0.45 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2kwb h LYS 118 CO -0.36 0.93 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.51 2kwb h LYS 119 N 1.18 -0.04 -0.24 1.90 1.63 0.04 -1.40 116.57 119.64 2kwb h LYS 119 Ca 0.28 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.03 2kwb h LYS 119 Cb 0.14 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2kwb h LYS 119 CO -0.03 0.38 -0.12 0.97 -3.45 0.00 0.00 179.45 177.20 2kwb h ILE 120 N -0.49 1.21 -0.53 2.00 6.09 -1.10 -0.02 117.51 124.67 2kwb h ILE 120 Ca -0.00 -0.91 -0.06 0.00 -1.37 0.00 0.00 64.86 62.51 2kwb h ILE 120 Cb 0.45 1.15 -0.02 0.00 0.47 0.00 0.00 36.82 38.87 2kwb h ILE 120 CO 0.01 0.29 0.10 -0.61 -3.07 0.00 0.00 178.15 174.87 2kwb h GLN 121 N 0.37 0.88 -0.80 2.19 5.75 -1.13 -1.06 115.11 121.31 2kwb h GLN 121 Ca 0.07 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 2kwb h GLN 121 Cb 0.43 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 2kwb h GLN 121 CO 0.02 0.85 0.38 0.78 -2.65 0.00 0.00 178.83 178.22 2kwb h GLY 122 N 0.76 1.23 0.87 2.39 0.00 -0.63 -1.85 103.07 105.85 2kwb h GLY 122 Ca 0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2kwb h GLY 122 CO 0.01 0.58 -0.21 -0.25 0.00 0.00 0.00 176.54 176.67 2kwb h TRP 123 N 1.14 -0.54 -0.28 5.60 7.01 -0.70 -2.65 115.95 125.54 2kwb h TRP 123 Ca 0.28 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 2kwb h TRP 123 Cb 0.11 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 2kwb h TRP 123 CO 0.01 -0.32 0.08 -0.39 -2.79 0.00 0.00 178.44 175.04 2kwb h VAL 124 N -0.50 1.20 -0.15 2.65 -1.51 -1.09 0.16 116.25 117.02 2kwb h VAL 124 Ca -0.03 -0.66 -0.01 0.00 -1.23 0.00 0.00 66.70 64.78 2kwb h VAL 124 Cb 0.42 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2kwb h VAL 124 CO 0.02 0.22 0.05 -0.37 -1.23 0.00 0.00 177.57 176.26 2kwb h VAL 125 N 0.29 1.06 0.10 7.19 -1.51 -1.37 0.70 116.25 122.71 2kwb h VAL 125 Ca 0.09 -0.20 -0.22 0.00 -1.23 0.00 0.00 66.70 65.14 2kwb h VAL 125 Cb 0.25 0.90 0.02 0.00 -2.13 0.00 0.00 31.29 30.33 2kwb h VAL 125 CO -0.00 0.08 -0.91 -1.28 -1.23 0.00 0.00 177.57 174.23 2kwb h SER 126 N 0.20 0.62 0.22 4.19 0.87 -1.24 -3.34 113.55 115.07 2kwb h SER 126 Ca 0.05 -0.86 -0.07 0.00 -1.23 0.00 0.00 61.79 59.68 2kwb h SER 126 Cb 0.05 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2kwb h SER 126 CO -0.01 1.42 -0.28 0.25 -0.53 0.00 0.00 176.83 177.68 2kwb h LEU 127 N -0.09 0.11 -0.79 2.23 5.85 0.17 -2.40 115.31 120.39 2kwb h LEU 127 Ca -0.14 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2kwb h LEU 127 Cb 1.65 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.65 2kwb h LEU 127 CO 0.17 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 178.85 2kwb n LEU 128 N -4.17 1.20 -4.55 2.25 4.77 0.16 -4.72 117.00 111.93 2kwb n LEU 128 Ca -0.02 -0.48 -0.40 0.00 -0.03 0.00 0.00 56.01 55.09 2kwb n LEU 128 Cb 0.36 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 2kwb n LEU 128 CO 0.39 0.24 1.97 0.00 -1.33 0.00 0.00 177.39 178.66 2kwb n ALA 129 N -0.01 1.06 0.29 -1.18 0.00 -0.90 -4.83 120.51 114.94 2kwb n ALA 129 Ca 0.17 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 53.13 2kwb n ALA 129 Cb 0.27 -3.01 0.86 0.00 0.00 0.00 0.00 19.45 17.58 2kwb n ALA 129 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2kwb h LYS 130 N 17.18 0.00 0.25 0.00 2.10 -1.91 0.83 116.57 135.02 2kwb h LYS 130 Ca -0.28 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.03 2kwb h LYS 130 Cb 1.27 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.64 2kwb h LYS 130 CO 1.11 0.05 -1.50 0.38 -2.00 0.00 0.00 179.45 177.49 2kwb h ASP 131 N 0.00 0.84 0.00 7.07 2.03 -1.99 -3.33 116.42 121.04 2kwb h ASP 131 Ca -0.00 -0.92 0.00 0.00 -0.73 0.00 0.00 57.03 55.38 2kwb h ASP 131 Cb 0.14 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 2kwb h ASP 131 CO 0.01 1.72 -0.94 0.54 -1.03 0.00 0.00 179.24 179.53 2kwb n ARG 132 N -3.72 0.50 0.00 4.15 3.00 -1.11 -4.71 116.66 114.77 2kwb n ARG 132 Ca -0.17 0.20 0.10 0.00 -0.01 0.00 0.00 57.85 57.97 2kwb n ARG 132 Cb 1.10 -1.38 0.53 0.00 0.00 0.00 0.00 32.46 32.72 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 -4.36 0.00 0.29 -1.55 3.01 0.27 -2.97 117.46 112.15 2kwb n PHE 133 Ca -0.13 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.51 2kwb n PHE 133 Cb 0.49 -0.30 0.96 0.00 -0.01 0.00 0.00 39.48 40.62 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 0.00 -0.59 -1.08 3.64 -1.65 -1.69 116.57 115.19 2kwb h LYS 134 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kwb h LYS 134 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2kwb h LYS 134 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 2kwb n ASN 135 N -2.81 1.78 -4.83 4.20 5.03 -1.16 -4.88 115.26 112.60 2kwb n ASN 135 Ca -0.02 -2.15 -0.37 0.00 0.87 0.00 0.00 54.58 52.91 2kwb n ASN 135 Cb 0.14 -0.37 -0.06 0.00 -1.02 0.00 0.00 39.78 38.47 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kwb s LEU 136 N -0.87 4.43 0.14 3.41 1.43 -0.64 -4.81 118.68 121.78 2kwb s LEU 136 Ca 0.15 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2kwb s LEU 136 Cb 0.10 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2kwb s LEU 136 CO 0.07 0.19 0.10 0.00 0.23 0.00 0.00 176.35 176.94 2kwb s ALA 137 N -1.28 3.52 -0.03 4.21 0.00 -1.01 -4.70 121.76 122.47 2kwb s ALA 137 Ca 0.33 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2kwb s ALA 137 Cb -0.17 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2kwb s ALA 137 CO 0.19 0.57 -0.25 -0.06 0.00 0.00 0.00 175.76 176.20 2kwb s PHE 138 N -1.64 2.37 -0.02 0.00 0.08 -0.74 -0.13 117.98 117.91 2kwb s PHE 138 Ca 0.30 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.86 2kwb s PHE 138 Cb -0.11 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2kwb s PHE 138 CO 0.22 -0.08 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.14 2kwb s PHE 139 N -0.49 0.70 0.09 0.36 0.40 -0.83 -0.25 117.98 117.96 2kwb s PHE 139 Ca 0.06 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.32 2kwb s PHE 139 Cb -0.11 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 2kwb s PHE 139 CO 0.00 -0.07 -0.22 -1.50 0.70 0.00 0.00 175.22 174.14 2kwb s ILE 140 N 0.19 1.76 0.17 0.64 2.07 -1.07 -1.23 121.20 123.73 2kwb s ILE 140 Ca -0.02 -1.50 -0.33 0.00 -1.41 0.00 0.00 60.65 57.38 2kwb s ILE 140 Cb -0.07 -1.58 -0.13 0.00 0.13 0.00 0.00 42.46 40.80 2kwb s ILE 140 CO -0.00 0.00 1.63 0.61 -1.91 0.00 0.00 174.94 175.27 2kwb n GLY 141 N 1.21 1.26 0.31 1.50 0.00 -1.26 -0.58 105.19 107.62 2kwb n GLY 141 Ca -0.19 0.65 0.12 0.00 0.00 0.00 0.00 46.02 46.60 2kwb n GLY 141 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kwb h GLU 142 N 6.26 0.29 -1.03 1.61 4.57 -1.75 0.43 114.58 124.96 2kwb h GLU 142 Ca -0.44 -0.02 0.27 0.00 -1.18 0.00 0.00 59.36 57.99 2kwb h GLU 142 Cb 1.24 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 2kwb h GLU 142 CO 0.91 0.19 0.69 0.07 -1.18 0.00 0.00 179.01 179.69 2kwb h ARG 143 N 0.30 0.27 0.00 1.92 0.11 -1.90 -0.75 114.38 114.33 2kwb h ARG 143 Ca 0.54 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 60.44 2kwb h ARG 143 Cb 1.06 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 32.05 2kwb h ARG 143 CO -0.58 0.18 -1.77 0.00 0.10 0.00 0.00 179.97 177.89 2kwb n ALA 144 N -2.56 2.06 -0.26 0.08 0.00 0.06 -4.51 120.51 115.38 2kwb n ALA 144 Ca 0.24 -0.72 0.32 0.00 0.00 0.00 0.00 53.44 53.27 2kwb n ALA 144 Cb 0.93 -0.72 0.73 0.00 0.00 0.00 0.00 19.45 20.38 2kwb n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kwb h ALA 145 N 1.48 2.97 0.00 0.00 0.00 -0.28 -0.96 119.26 122.47 2kwb h ALA 145 Ca -0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2kwb h ALA 145 Cb 1.59 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kwb h ALA 145 CO 0.03 -1.27 -0.02 1.49 0.00 0.00 0.00 179.25 179.47 2kwb h GLU 146 N 0.02 0.00 0.00 0.00 4.81 -1.79 -3.43 114.58 114.18 2kwb h GLU 146 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2kwb h GLU 146 Cb 1.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.37 2kwb h GLU 146 CO -0.02 0.02 0.00 0.41 -0.73 0.00 0.00 179.01 178.70 2kwb n GLY 147 N -1.30 0.07 3.55 1.92 0.00 -0.72 -5.10 105.19 103.62 2kwb n GLY 147 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 1.83 -1.51 4.61 0.00 -0.45 -4.80 121.76 121.43 2kwb s ALA 148 Ca 0.00 -0.60 0.15 0.00 0.00 0.00 0.00 51.96 51.51 2kwb s ALA 148 Cb 0.00 -4.38 0.77 0.00 0.00 0.00 0.00 23.12 19.51 2kwb s ALA 148 CO 0.00 -4.35 1.39 -0.85 0.00 0.00 0.00 175.76 171.95 2kwb n GLU 149 N 9.06 0.25 -0.22 0.00 0.00 -1.26 -2.68 120.64 125.79 2kwb n GLU 149 Ca 0.30 0.13 0.01 0.00 0.00 0.00 0.00 57.16 57.59 2kwb n GLU 149 Cb 0.51 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.55 2kwb n GLU 149 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2kwb n ASN 150 N -1.24 2.23 -4.79 -1.84 6.94 -1.26 -4.87 115.26 110.44 2kwb n ASN 150 Ca 0.08 -2.24 -0.38 0.00 -0.02 0.00 0.00 54.58 52.02 2kwb n ASN 150 Cb 0.11 -0.55 -0.06 0.00 -2.36 0.00 0.00 39.78 36.92 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2kwb s GLY 151 N -0.14 2.44 -0.10 4.83 0.00 -1.09 -3.66 107.32 109.59 2kwb s GLY 151 Ca 0.13 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 2kwb s GLY 151 CO 0.04 0.40 1.58 1.62 0.00 0.00 0.00 173.10 176.74 2kwb s GLN 152 N -0.35 4.11 -0.12 2.90 0.74 -1.26 -4.97 119.66 120.71 2kwb s GLN 152 Ca 0.24 2.00 -0.29 0.00 0.05 0.00 0.00 55.36 57.36 2kwb s GLN 152 Cb -0.16 -3.96 -0.01 0.00 1.10 0.00 0.00 33.01 29.98 2kwb s GLN 152 CO 0.12 -0.91 1.01 0.08 -0.55 0.00 0.00 175.29 175.03 2kwb s VAL 153 N 4.18 4.78 -0.15 1.34 1.01 -1.26 -4.38 120.40 125.93 2kwb s VAL 153 Ca 0.70 2.04 -0.07 0.00 0.00 0.00 0.00 61.98 64.65 2kwb s VAL 153 Cb -0.30 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 2kwb s VAL 153 CO 0.27 -0.01 0.09 0.00 0.00 0.00 0.00 175.10 175.45 2kwb s ALA 154 N 2.12 3.61 0.01 5.51 0.00 -0.37 -4.95 121.76 127.70 2kwb s ALA 154 Ca 0.48 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2kwb s ALA 154 Cb -0.18 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 2kwb s ALA 154 CO 0.17 0.41 0.53 0.42 0.00 0.00 0.00 175.76 177.29 2kwb s ILE 155 N -0.38 4.91 -0.26 0.00 1.01 -1.09 -1.96 121.20 123.44 2kwb s ILE 155 Ca 0.10 1.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.81 2kwb s ILE 155 Cb -0.12 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 2kwb s ILE 155 CO 0.02 0.48 0.05 -0.63 0.00 0.00 0.00 174.94 174.86 2kwb s ILE 156 N -0.57 3.94 -0.09 2.92 -1.09 0.82 0.01 121.20 127.14 2kwb s ILE 156 Ca 0.28 -0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2kwb s ILE 156 Cb -0.18 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 2kwb s ILE 156 CO 0.16 0.23 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.33 2kwb s GLU 157 N 1.53 2.99 -1.00 2.79 2.12 -0.32 -2.40 118.70 124.41 2kwb s GLU 157 Ca 0.04 -0.55 -0.23 0.00 0.36 0.00 0.00 54.97 54.59 2kwb s GLU 157 Cb -0.16 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 2kwb s GLU 157 CO 0.02 0.54 1.79 0.71 -0.54 0.00 0.00 175.26 177.78 2kwb s TYR 158 N -0.48 2.09 -0.13 5.30 1.51 -1.26 -0.38 117.35 124.01 2kwb s TYR 158 Ca 0.07 0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 55.89 2kwb s TYR 158 Cb -0.12 -4.27 -0.02 0.00 -0.11 0.00 0.00 41.96 37.44 2kwb s TYR 158 CO 0.02 -1.73 1.26 0.50 -1.11 0.00 0.00 175.55 174.48 2kwb s ARG 159 N 6.20 4.27 0.31 -0.62 3.00 0.13 -4.84 118.95 127.40 2kwb s ARG 159 Ca 0.62 1.68 -0.29 0.00 -1.00 0.00 0.00 55.73 56.74 2kwb s ARG 159 Cb -0.03 -3.70 -0.10 0.00 0.00 0.00 0.00 34.95 31.11 2kwb s ARG 159 CO -0.01 -0.63 1.25 0.16 0.00 0.00 0.00 175.30 176.06 2kwb s ASP 160 N 1.86 6.92 0.08 -2.12 -4.77 -1.26 -1.95 116.67 115.42 2kwb s ASP 160 Ca 0.56 2.56 0.06 0.00 -3.30 0.00 0.00 52.55 52.42 2kwb s ASP 160 Cb -0.23 -2.64 -0.03 0.00 -1.09 0.00 0.00 42.92 38.93 2kwb s ASP 160 CO 0.17 -0.42 -0.15 -0.69 0.70 0.00 0.00 175.17 174.78 2kwb s VAL 161 N -1.10 1.21 -0.51 2.11 1.01 0.06 -4.93 120.40 118.26 2kwb s VAL 161 Ca 0.48 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 2kwb s VAL 161 Cb -0.37 -1.17 -0.24 0.00 0.00 0.00 0.00 36.38 34.60 2kwb s VAL 161 CO 0.49 -0.21 1.81 -0.67 0.00 0.00 0.00 175.10 176.51 2kwb n ASP 162 N 1.21 1.94 0.00 3.32 2.03 -1.26 -2.06 116.55 121.72 2kwb n ASP 162 Ca -0.21 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.50 2kwb n ASP 162 Cb 0.54 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 4.80 0.95 3.07 0.27 0.00 -1.26 -5.13 105.19 107.88 2kwb n GLY 163 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -0.61 0.08 -0.34 2.61 2.01 -0.88 -5.14 115.64 113.37 2kwb s THR 164 Ca 0.00 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 2kwb s THR 164 Cb 0.00 -0.36 0.05 0.00 0.01 0.00 0.00 72.50 72.20 2kwb s THR 164 CO 0.00 -0.35 0.10 -1.83 -0.69 0.00 0.00 174.62 171.85 2kwb s GLU 165 N -1.20 2.52 -0.12 4.92 1.03 -1.26 -0.76 118.70 123.83 2kwb s GLU 165 Ca -0.13 -1.28 0.01 0.00 0.03 0.00 0.00 54.97 53.61 2kwb s GLU 165 Cb -0.07 -3.42 -0.01 0.00 -0.80 0.00 0.00 34.13 29.82 2kwb s GLU 165 CO 0.01 -0.71 -0.16 0.14 -1.33 0.00 0.00 175.26 173.20 2kwb s VAL 166 N 1.34 2.74 -0.35 1.83 -7.23 -0.82 -4.83 120.40 113.09 2kwb s VAL 166 Ca -0.01 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.09 2kwb s VAL 166 Cb -0.20 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.63 2kwb s VAL 166 CO 0.01 0.54 1.11 -2.84 -0.31 0.00 0.00 175.10 173.60 2kwb s PRO 167 N 0.34 3.98 0.34 4.82 0.02 -1.26 0.19 135.00 143.44 2kwb s PRO 167 Ca -0.13 0.98 0.07 0.00 0.02 0.00 0.00 61.00 61.94 2kwb s PRO 167 Cb -0.17 -3.78 -0.02 0.00 0.02 0.00 0.00 34.50 30.55 2kwb s PRO 167 CO 0.07 -1.02 0.35 0.95 -0.33 0.00 0.00 177.00 177.02 2kwb s THR 168 N 3.88 3.59 -0.09 0.99 -4.23 0.49 -3.48 115.64 116.79 2kwb s THR 168 Ca 0.47 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.70 2kwb s THR 168 Cb -0.11 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 2kwb s THR 168 CO 0.19 -0.15 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.90 2kwb s LEU 169 N -4.06 3.55 -0.19 4.79 2.96 -0.52 -1.17 118.68 124.04 2kwb s LEU 169 Ca 0.43 0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2kwb s LEU 169 Cb -0.07 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 2kwb s LEU 169 CO 0.28 0.37 -0.02 -0.04 -1.32 0.00 0.00 176.35 175.62 2kwb s MET 170 N -0.82 3.62 -0.06 1.98 -1.94 0.10 -1.54 119.30 120.64 2kwb s MET 170 Ca 0.12 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 53.56 2kwb s MET 170 Cb -0.11 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.74 2kwb s MET 170 CO 0.02 0.08 0.02 -0.51 -0.01 0.00 0.00 175.02 174.62 2kwb s LEU 171 N 0.81 0.48 -0.13 -0.03 1.43 -0.96 -2.67 118.68 117.61 2kwb s LEU 171 Ca -0.00 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 2kwb s LEU 171 Cb -0.14 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 2kwb s LEU 171 CO 0.02 -0.21 1.30 -0.69 0.23 0.00 0.00 176.35 177.00 2kwb s VAL 172 N 1.99 4.18 0.29 -1.59 1.01 -1.26 -0.08 120.40 124.94 2kwb s VAL 172 Ca 0.04 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.56 2kwb s VAL 172 Cb -0.12 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2kwb s VAL 172 CO -0.04 -0.10 1.68 0.07 0.00 0.00 0.00 175.10 176.70 2kwb h LYS 173 N 8.19 0.12 -0.00 2.72 2.10 -1.49 -2.63 116.57 125.57 2kwb h LYS 173 Ca -0.30 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2kwb h LYS 173 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2kwb h LYS 173 CO 0.95 0.59 -0.01 0.39 -2.00 0.00 0.00 179.45 179.37 2kwb n GLU 174 N -3.95 1.00 -0.11 0.07 -0.58 -1.26 -3.79 120.64 112.02 2kwb n GLU 174 Ca -0.02 -0.18 -0.18 0.00 -0.42 0.00 0.00 57.16 56.36 2kwb n GLU 174 Cb 0.53 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 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 -0.84 0.90 -2.66 0.62 0.00 -1.01 -4.86 120.51 112.66 2kwb n ALA 175 Ca 0.21 -0.79 -0.35 0.00 0.00 0.00 0.00 53.44 52.51 2kwb n ALA 175 Cb 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 2kwb n ALA 175 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kwb s ILE 176 N -2.56 5.19 -0.43 0.00 -4.36 -1.11 -4.34 121.20 113.58 2kwb s ILE 176 Ca -0.30 0.34 -0.21 0.00 -0.26 0.00 0.00 60.65 60.23 2kwb s ILE 176 Cb 0.08 -3.61 0.02 0.00 1.25 0.00 0.00 42.46 40.20 2kwb s ILE 176 CO 0.44 0.34 0.64 -0.63 0.24 0.00 0.00 174.94 175.97 2kwb s ILE 177 N -1.34 4.84 -0.17 8.37 1.09 0.55 -4.75 121.20 129.79 2kwb s ILE 177 Ca 0.30 0.16 -0.06 0.00 -1.10 0.00 0.00 60.65 59.96 2kwb s ILE 177 Cb -0.14 -4.18 -0.03 0.00 -1.06 0.00 0.00 42.46 37.05 2kwb s ILE 177 CO 0.17 -0.55 0.02 -0.70 -0.10 0.00 0.00 174.94 173.78 2kwb s GLU 178 N 2.79 3.84 -0.32 2.79 -6.30 -1.26 -1.22 118.70 119.01 2kwb s GLU 178 Ca 0.23 -0.42 -0.00 0.00 -2.50 0.00 0.00 54.97 52.27 2kwb s GLU 178 Cb -0.14 -3.09 0.10 0.00 0.00 0.00 0.00 34.13 31.00 2kwb s GLU 178 CO 0.18 0.24 0.11 -1.21 0.02 0.00 0.00 175.26 174.60 2kwb s GLU 179 N 0.41 0.82 -0.42 4.30 2.02 0.14 -4.97 118.70 121.01 2kwb s GLU 179 Ca 0.00 -1.23 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 2kwb s GLU 179 Cb -0.13 -2.11 0.02 0.00 0.10 0.00 0.00 34.13 32.01 2kwb s GLU 179 CO 0.01 -1.00 1.12 0.21 0.02 0.00 0.00 175.26 175.62 2kwb s LYS 180 N 1.44 3.85 -0.45 1.61 2.20 -1.26 -1.49 119.74 125.64 2kwb s LYS 180 Ca 0.11 0.76 0.02 0.00 -0.36 0.00 0.00 55.97 56.50 2kwb s LYS 180 Cb -0.18 -3.84 0.14 0.00 -1.51 0.00 0.00 37.83 32.43 2kwb s LYS 180 CO -0.21 -1.20 0.25 0.00 -0.36 0.00 0.00 175.35 173.82 2kwb s LEU 182 N 0.28 -0.44 0.00 0.00 0.05 -1.26 0.28 118.68 117.58 2kwb s LEU 182 Ca 0.18 0.33 0.32 0.00 0.05 0.00 0.00 54.13 55.01 2kwb s LEU 182 Cb -0.23 2.11 1.89 0.00 -2.05 0.00 0.00 46.19 47.90 2kwb s LEU 182 CO -0.01 -0.52 2.22 -0.62 -0.55 0.00 0.00 176.35 176.87