#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 1.26 -0.16 -0.89 2.96 0.47 -3.84 118.68 118.49 2kwb s LEU 2 Ca 0.00 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2kwb s LEU 2 Cb 0.00 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 2kwb s LEU 2 CO 0.00 -0.07 -0.07 0.27 -1.32 0.00 0.00 176.35 175.16 2kwb s ILE 3 N 1.03 3.51 0.00 6.68 -4.36 -1.05 -0.61 121.20 126.40 2kwb s ILE 3 Ca -0.09 -0.49 0.07 0.00 -0.26 0.00 0.00 60.65 59.88 2kwb s ILE 3 Cb -0.14 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 2kwb s ILE 3 CO -0.01 0.49 -0.21 -0.72 0.24 0.00 0.00 174.94 174.73 2kwb s TYR 4 N 0.57 1.87 -0.32 1.37 1.13 -0.53 -0.23 117.35 121.20 2kwb s TYR 4 Ca -0.05 -0.36 -0.10 0.00 -1.41 0.00 0.00 57.07 55.15 2kwb s TYR 4 Cb -0.15 -1.17 -0.01 0.00 -1.10 0.00 0.00 41.96 39.53 2kwb s TYR 4 CO 0.03 0.01 0.17 -1.59 -2.51 0.00 0.00 175.55 171.66 2kwb s LYS 5 N -0.73 3.34 0.86 -3.49 -2.85 -0.26 -2.35 119.74 114.25 2kwb s LYS 5 Ca 0.08 -0.72 -0.12 0.00 -1.00 0.00 0.00 55.97 54.21 2kwb s LYS 5 Cb -0.08 -3.61 0.11 0.00 -2.06 0.00 0.00 37.83 32.19 2kwb s LYS 5 CO 0.00 -0.43 1.15 -0.51 0.10 0.00 0.00 175.35 175.66 2kwb s ASP 6 N 1.63 4.00 -0.02 0.03 1.11 -1.26 -1.67 116.67 120.48 2kwb s ASP 6 Ca 0.05 0.91 0.10 0.00 0.18 0.00 0.00 52.55 53.78 2kwb s ASP 6 Cb -0.17 -1.46 -0.23 0.00 1.07 0.00 0.00 42.92 42.12 2kwb s ASP 6 CO 0.07 -2.23 0.73 -0.29 1.18 0.00 0.00 175.17 174.63 2kwb h ILE 7 N -1.28 0.96 0.01 0.77 2.10 -0.45 -3.12 117.51 116.50 2kwb h ILE 7 Ca -0.48 -2.78 -0.38 0.00 1.08 0.00 0.00 64.86 62.30 2kwb h ILE 7 Cb 1.33 2.50 -0.06 0.00 -1.09 0.00 0.00 36.82 39.49 2kwb h ILE 7 CO 0.64 0.60 -2.40 0.49 -1.08 0.00 0.00 178.15 176.39 2kwb n PHE 8 N -3.14 0.15 -1.02 2.19 3.72 -1.26 -4.57 117.46 113.53 2kwb n PHE 8 Ca -0.16 0.03 0.05 0.00 -0.05 0.00 0.00 57.45 57.33 2kwb n PHE 8 Cb 1.04 -1.02 0.30 0.00 -0.94 0.00 0.00 39.48 38.85 2kwb n PHE 8 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kwb n THR 9 N -3.20 2.54 -0.29 4.37 -2.24 -1.22 -4.68 114.28 109.57 2kwb n THR 9 Ca -0.42 -1.80 0.10 0.00 -2.27 0.00 0.00 64.05 59.66 2kwb n THR 9 Cb 1.02 -0.29 0.24 0.00 -2.10 0.00 0.00 70.33 69.21 2kwb n THR 9 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kwb h ASP 10 N 2.41 -0.16 0.03 3.42 3.58 -1.78 0.78 116.42 124.69 2kwb h ASP 10 Ca 0.06 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 2kwb h ASP 10 Cb 1.75 0.31 -0.00 0.00 1.72 0.00 0.00 39.33 43.10 2kwb h ASP 10 CO 0.39 -0.17 -0.02 0.44 -2.88 0.00 0.00 179.24 177.00 2kwb h ASP 11 N 0.16 0.00 -0.41 2.28 5.19 -1.88 -1.72 116.42 120.04 2kwb h ASP 11 Ca 0.50 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.78 2kwb h ASP 11 Cb 0.97 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.40 2kwb h ASP 11 CO -0.68 0.02 0.05 -0.62 -3.12 0.00 0.00 179.24 174.89 2kwb n GLU 12 N -4.08 2.63 -1.35 3.56 1.02 0.26 -5.06 120.64 117.62 2kwb n GLU 12 Ca -0.03 -3.02 -0.39 0.00 -0.02 0.00 0.00 57.16 53.71 2kwb n GLU 12 Cb 0.10 -1.92 0.02 0.00 -0.02 0.00 0.00 31.44 29.63 2kwb n GLU 12 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2kwb n LEU 13 N -0.71 -1.56 -4.58 -4.62 -0.00 -0.44 -4.99 117.00 100.09 2kwb n LEU 13 Ca 0.31 0.69 -0.27 0.00 -0.00 0.00 0.00 56.01 56.74 2kwb n LEU 13 Cb 1.07 -1.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.38 2kwb n LEU 13 CO 0.24 -3.97 -0.31 -0.55 -0.00 0.00 0.00 177.39 172.79 2kwb s SER 14 N -1.09 3.69 -0.23 1.45 0.15 -0.99 -4.99 113.70 111.70 2kwb s SER 14 Ca 0.62 -1.32 -0.02 0.00 0.70 0.00 0.00 55.95 55.93 2kwb s SER 14 Cb -0.47 -0.36 0.07 0.00 -1.71 0.00 0.00 66.02 63.56 2kwb s SER 14 CO 0.61 -0.40 0.05 -0.94 1.20 0.00 0.00 173.24 173.76 2kwb s SER 15 N -3.66 3.25 0.40 5.45 1.04 -1.26 -1.46 113.70 117.46 2kwb s SER 15 Ca 0.34 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2kwb s SER 15 Cb 0.08 -0.67 -0.00 0.00 0.10 0.00 0.00 66.02 65.53 2kwb s SER 15 CO 0.17 -0.34 0.00 0.47 0.98 0.00 0.00 173.24 174.53 2kwb n ASP 16 N 5.00 3.08 -3.24 7.02 9.92 0.22 -4.85 116.55 133.70 2kwb n ASP 16 Ca -0.07 -2.75 -0.19 0.00 -0.53 0.00 0.00 54.79 51.25 2kwb n ASP 16 Cb 0.45 0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 41.15 2kwb n ASP 16 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2kwb s SER 17 N -3.19 0.71 0.13 -2.24 0.01 -1.26 -0.39 113.70 107.46 2kwb s SER 17 Ca 0.00 -2.27 0.02 0.00 1.31 0.00 0.00 55.95 55.01 2kwb s SER 17 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 2kwb s SER 17 CO 0.00 -0.17 -0.04 -0.36 0.41 0.00 0.00 173.24 173.08 2kwb s PHE 18 N 0.71 1.01 0.67 2.43 0.08 -1.26 -5.02 117.98 116.60 2kwb s PHE 18 Ca 0.27 -0.96 -0.12 0.00 0.12 0.00 0.00 56.93 56.24 2kwb s PHE 18 Cb -0.04 -0.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.83 2kwb s PHE 18 CO -0.10 -0.18 1.05 -1.25 -0.10 0.00 0.00 175.22 174.64 2kwb s PRO 19 N -3.87 3.09 -0.07 0.24 0.04 -1.26 -5.09 135.00 128.08 2kwb s PRO 19 Ca 0.17 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 2kwb s PRO 19 Cb 0.06 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.62 2kwb s PRO 19 CO -0.01 -0.98 0.16 0.00 0.04 0.00 0.00 177.00 176.21 2kwb s MET 20 N -4.85 0.12 -0.37 4.56 0.23 -1.26 -4.65 119.30 113.08 2kwb s MET 20 Ca 0.59 0.38 0.03 0.00 -1.03 0.00 0.00 55.69 55.65 2kwb s MET 20 Cb -0.14 -0.14 0.11 0.00 -1.53 0.00 0.00 34.83 33.13 2kwb s MET 20 CO 0.51 -0.15 0.11 0.21 -2.03 0.00 0.00 175.02 173.67 2kwb s LYS 21 N 1.06 1.37 -0.27 3.16 2.20 -0.55 -4.95 119.74 121.76 2kwb s LYS 21 Ca -0.08 -1.83 -0.29 0.00 -0.36 0.00 0.00 55.97 53.41 2kwb s LYS 21 Cb -0.10 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2kwb s LYS 21 CO -0.06 -1.00 1.22 -1.17 -0.36 0.00 0.00 175.35 173.99 2kwb s LEU 22 N 0.82 3.97 -0.10 5.43 2.96 -1.26 0.04 118.68 130.54 2kwb s LEU 22 Ca 0.12 1.29 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 2kwb s LEU 22 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2kwb s LEU 22 CO -0.10 -0.94 0.05 0.54 -1.32 0.00 0.00 176.35 174.58 2kwb s VAL 23 N 3.94 4.70 0.00 1.68 0.11 0.03 -4.41 120.40 126.45 2kwb s VAL 23 Ca 0.53 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2kwb s VAL 23 Cb -0.17 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2kwb s VAL 23 CO 0.18 0.60 0.00 -0.67 -3.33 0.00 0.00 175.10 171.88 2kwb n ASP 24 N 2.20 -5.45 -2.67 3.54 2.03 -1.26 -1.54 116.55 113.40 2kwb n ASP 24 Ca -0.19 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.94 2kwb n ASP 24 Cb 0.54 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.63 2kwb n ASP 24 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kwb n ASP 25 N -0.77 -4.92 0.00 1.67 2.03 -1.26 -4.83 116.55 108.47 2kwb n ASP 25 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2kwb n ASP 25 Cb 0.45 -4.09 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2kwb n LEU 26 N -3.23 0.05 -4.16 -2.67 7.94 -0.59 -5.04 117.00 109.30 2kwb n LEU 26 Ca -0.15 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.53 2kwb n LEU 26 Cb 0.63 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.44 2kwb n LEU 26 CO 0.31 -0.10 -0.48 0.68 -1.11 0.00 0.00 177.39 176.70 2kwb s VAL 27 N -2.00 1.23 -0.05 1.96 -7.23 -1.07 -3.47 120.40 109.77 2kwb s VAL 27 Ca 0.00 -0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 2kwb s VAL 27 Cb 0.00 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 2kwb s VAL 27 CO 0.00 0.13 0.70 -0.31 -0.31 0.00 0.00 175.10 175.31 2kwb s TYR 28 N -0.70 3.60 -0.29 2.82 2.02 0.79 -0.79 117.35 124.80 2kwb s TYR 28 Ca 0.04 1.26 -0.19 0.00 -0.37 0.00 0.00 57.07 57.82 2kwb s TYR 28 Cb -0.07 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.68 2kwb s TYR 28 CO 0.01 0.12 0.55 -2.00 -1.57 0.00 0.00 175.55 172.66 2kwb s GLU 29 N 0.65 3.95 -0.24 -0.62 2.12 0.11 -2.61 118.70 122.06 2kwb s GLU 29 Ca 0.37 0.24 -0.06 0.00 0.36 0.00 0.00 54.97 55.88 2kwb s GLU 29 Cb -0.18 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 2kwb s GLU 29 CO 0.18 -0.46 0.02 -0.06 -0.54 0.00 0.00 175.26 174.40 2kwb s PHE 30 N 2.41 3.04 -0.90 5.30 0.40 0.61 -1.49 117.98 127.35 2kwb s PHE 30 Ca 0.22 -0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 55.68 2kwb s PHE 30 Cb -0.15 -2.18 0.18 0.00 0.51 0.00 0.00 43.02 41.37 2kwb s PHE 30 CO 0.11 -0.47 0.97 0.15 0.70 0.00 0.00 175.22 176.68 2kwb s LYS 31 N 1.54 3.64 0.00 0.44 1.02 -1.26 -1.01 119.74 124.10 2kwb s LYS 31 Ca 0.06 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 53.90 2kwb s LYS 31 Cb -0.15 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.47 2kwb s LYS 31 CO 0.00 -1.54 0.00 0.41 -0.92 0.00 0.00 175.35 173.31 2kwb n GLY 32 N 4.68 -0.28 2.93 -3.33 0.00 -1.26 -4.92 105.19 103.00 2kwb n GLY 32 Ca 0.20 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 2kwb n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kwb s LYS 33 N 0.14 0.09 -0.46 1.61 2.47 -1.26 -4.93 119.74 117.40 2kwb s LYS 33 Ca 0.00 0.29 -0.28 0.00 -1.56 0.00 0.00 55.97 54.42 2kwb s LYS 33 Cb 0.00 -0.12 -0.00 0.00 -1.46 0.00 0.00 37.83 36.25 2kwb s LYS 33 CO 0.00 -0.12 1.62 -1.58 0.16 0.00 0.00 175.35 175.43 2kwb s HIS 34 N 0.86 2.04 0.18 4.03 5.65 -1.26 -0.48 115.29 126.30 2kwb s HIS 34 Ca -0.07 0.63 0.02 0.00 0.25 0.00 0.00 55.06 55.90 2kwb s HIS 34 Cb -0.09 -4.23 -0.05 0.00 -1.18 0.00 0.00 32.58 27.04 2kwb s HIS 34 CO -0.04 -2.35 -0.00 0.14 -0.65 0.00 0.00 174.74 171.84 2kwb s VAL 35 N 6.74 0.72 -0.02 0.89 -7.23 0.02 -4.98 120.40 116.55 2kwb s VAL 35 Ca 0.66 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2kwb s VAL 35 Cb -0.16 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.67 2kwb s VAL 35 CO 0.29 -0.46 0.01 0.68 -0.31 0.00 0.00 175.10 175.30 2kwb s VAL 36 N -3.63 0.09 -0.09 1.32 -7.23 -1.26 -2.01 120.40 107.59 2kwb s VAL 36 Ca 0.24 0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.55 2kwb s VAL 36 Cb 0.06 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.81 2kwb s VAL 36 CO 0.04 0.11 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.13 2kwb s ARG 37 N 0.83 2.97 -0.61 4.82 3.52 -0.84 -2.58 118.95 127.06 2kwb s ARG 37 Ca -0.08 -0.83 -0.19 0.00 -0.13 0.00 0.00 55.73 54.51 2kwb s ARG 37 Cb -0.11 -2.35 0.11 0.00 -1.56 0.00 0.00 34.95 31.04 2kwb s ARG 37 CO -0.02 0.27 0.72 0.21 -0.81 0.00 0.00 175.30 175.68 2kwb s LYS 38 N 0.14 3.07 0.00 5.12 2.36 0.12 -1.44 119.74 129.11 2kwb s LYS 38 Ca -0.11 -1.35 0.00 0.00 -2.55 0.00 0.00 55.97 51.96 2kwb s LYS 38 Cb -0.16 -4.29 0.00 0.00 -1.05 0.00 0.00 37.83 32.33 2kwb s LYS 38 CO 0.06 -1.55 0.00 -1.91 1.55 0.00 0.00 175.35 173.50 2kwb n GLU 39 N 6.32 0.00 -1.12 4.03 2.13 -1.26 -0.62 120.64 130.13 2kwb n GLU 39 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2kwb n GLU 39 Cb 0.43 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.13 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 0.00 0.79 2.94 8.31 0.00 -1.26 -5.07 105.19 110.90 2kwb n GLY 40 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.58 -0.38 1.61 2.12 0.21 -5.12 118.70 117.72 2kwb s GLU 41 Ca 0.17 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 2kwb s GLU 41 Cb 0.20 -0.59 0.02 0.00 0.26 0.00 0.00 34.13 34.02 2kwb s GLU 41 CO -0.09 0.05 1.17 0.42 -0.54 0.00 0.00 175.26 176.27 2kwb s ILE 42 N 0.27 4.27 -0.39 -3.70 -1.09 -1.26 0.11 121.20 119.41 2kwb s ILE 42 Ca -0.03 1.39 0.09 0.00 -2.23 0.00 0.00 60.65 59.87 2kwb s ILE 42 Cb -0.07 -4.42 0.44 0.00 -1.58 0.00 0.00 42.46 36.82 2kwb s ILE 42 CO -0.00 -0.71 1.07 0.52 -1.23 0.00 0.00 174.94 174.60 2kwb n VAL 43 N 6.41 1.97 0.16 2.92 0.31 -1.06 -4.83 118.33 124.21 2kwb n VAL 43 Ca 0.13 -4.29 0.09 0.00 -0.01 0.00 0.00 64.34 60.26 2kwb n VAL 43 Cb 0.48 -0.64 0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2kwb n VAL 43 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 2kwb h LEU 44 N 2.66 0.00 -8.37 7.52 8.10 -1.92 -3.43 115.31 119.87 2kwb h LEU 44 Ca 0.18 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.56 2kwb h LEU 44 Cb 1.06 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 41.15 2kwb h LEU 44 CO 0.72 0.12 0.61 0.00 -4.11 0.00 0.00 178.44 175.78 2kwb s ALA 45 N -3.19 3.09 0.00 0.17 0.00 -1.26 -4.16 121.76 116.41 2kwb s ALA 45 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2kwb s ALA 45 Cb 0.07 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2kwb s ALA 45 CO 0.73 -2.67 0.00 0.41 0.00 0.00 0.00 175.76 174.23 2kwb n GLY 46 N 5.24 1.04 3.69 0.00 0.00 -1.26 -5.15 105.19 108.75 2kwb n GLY 46 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kwb n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kwb s SER 47 N 0.00 2.39 -0.32 1.61 0.15 -1.26 -5.04 113.70 111.24 2kwb s SER 47 Ca 0.00 0.98 -0.09 0.00 0.70 0.00 0.00 55.95 57.55 2kwb s SER 47 Cb 0.00 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2kwb s SER 47 CO 0.00 -3.25 0.13 0.21 1.20 0.00 0.00 173.24 171.53 2kwb s ASN 48 N -3.70 5.41 -0.46 5.45 3.84 -1.26 -5.07 114.94 119.15 2kwb s ASN 48 Ca 0.67 -0.72 -0.28 0.00 0.21 0.00 0.00 52.86 52.74 2kwb s ASN 48 Cb -0.16 -1.95 0.03 0.00 -0.55 0.00 0.00 41.25 38.62 2kwb s ASN 48 CO 0.56 -0.24 1.08 -2.84 -2.79 0.00 0.00 177.10 172.87 2kwb s PRO 49 N 1.55 3.71 0.13 0.43 0.02 -1.26 -5.03 135.00 134.55 2kwb s PRO 49 Ca 0.03 0.51 0.04 0.00 0.02 0.00 0.00 61.00 61.60 2kwb s PRO 49 Cb -0.18 -3.90 -0.04 0.00 0.02 0.00 0.00 34.50 30.41 2kwb s PRO 49 CO 0.05 -1.30 -0.10 -1.12 -0.33 0.00 0.00 177.00 174.20 2kwb s SER 50 N 2.34 1.70 0.00 2.53 0.01 -1.26 -5.10 113.70 113.91 2kwb s SER 50 Ca 0.45 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2kwb s SER 50 Cb -0.08 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2kwb s SER 50 CO 0.29 -0.32 0.00 0.00 0.41 0.00 0.00 173.24 173.62 2kwb n ALA 51 N -0.00 0.74 0.08 1.44 0.00 -1.26 -4.81 120.51 116.70 2kwb n ALA 51 Ca -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 2kwb n ALA 51 Cb 0.60 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.17 2kwb n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kwb h GLU 52 N 0.00 0.27 -6.19 0.00 5.08 -1.98 -3.41 114.58 108.34 2kwb h GLU 52 Ca 0.00 -0.18 -0.52 0.00 -1.00 0.00 0.00 59.36 57.66 2kwb h GLU 52 Cb 0.00 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 2kwb h GLU 52 CO 0.00 0.78 1.17 -1.21 -1.00 0.00 0.00 179.01 178.75 2kwb s GLU 53 N -3.81 3.08 -0.29 2.33 0.41 -1.26 -4.93 118.70 114.24 2kwb s GLU 53 Ca -0.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 54.97 54.32 2kwb s GLU 53 Cb 0.12 -4.46 0.13 0.00 -1.78 0.00 0.00 34.13 28.13 2kwb s GLU 53 CO 0.80 -2.37 0.25 0.20 -0.49 0.00 0.00 175.26 173.65 2kwb s GLY 54 N 5.20 0.02 -0.37 -1.39 0.00 -1.26 -4.73 107.32 104.80 2kwb s GLY 54 Ca 0.46 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.76 2kwb s GLY 54 CO 0.12 2.48 1.83 0.00 0.00 0.00 0.00 173.10 177.53 2kwb n ALA 55 N 5.30 4.98 -3.06 3.20 0.00 -1.26 -4.92 120.51 124.75 2kwb n ALA 55 Ca -0.03 -2.49 -0.01 0.00 0.00 0.00 0.00 53.44 50.90 2kwb n ALA 55 Cb 0.45 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.57 -1.39 -4.01 0.00 4.07 -1.26 -5.06 120.64 112.42 2kwb n GLU 56 Ca 0.48 1.43 -0.12 0.00 -0.06 0.00 0.00 57.16 58.90 2kwb n GLU 56 Cb 1.49 -5.73 -0.03 0.00 -0.06 0.00 0.00 31.44 27.11 2kwb n GLU 56 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2kwb s ASP 57 N -3.02 0.40 -0.33 4.31 -4.77 -1.26 -4.89 116.67 107.10 2kwb s ASP 57 Ca 0.04 -1.23 0.00 0.00 -3.30 0.00 0.00 52.55 48.06 2kwb s ASP 57 Cb -0.01 0.67 0.00 0.00 -1.09 0.00 0.00 42.92 42.49 2kwb s ASP 57 CO 0.74 -1.31 0.00 0.47 0.70 0.00 0.00 175.17 175.78 2kwb n ASP 58 N -1.04 -5.77 -2.31 2.11 8.00 -1.26 -4.85 116.55 111.43 2kwb n ASP 58 Ca -0.02 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.25 2kwb n ASP 58 Cb 0.61 -3.63 0.05 0.00 -0.02 0.00 0.00 41.12 38.14 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 59 N 0.77 6.01 0.19 0.44 0.00 -1.26 -4.66 105.19 106.68 2kwb n GLY 59 Ca -0.03 -2.48 0.05 0.00 0.00 0.00 0.00 46.02 43.57 2kwb n GLY 59 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kwb h SER 60 N 2.22 0.00 0.00 1.61 0.02 -2.00 -3.47 113.55 111.93 2kwb h SER 60 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2kwb h SER 60 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2kwb h SER 60 CO 1.26 0.37 0.00 -0.67 -1.14 0.00 0.00 176.83 176.65 2kwb n ASP 61 N -3.63 0.00 -3.87 3.07 2.03 -1.26 -4.77 116.55 108.13 2kwb n ASP 61 Ca -0.01 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.00 2kwb n ASP 61 Cb 0.48 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kwb n GLU 62 N 0.00 -1.25 -0.80 -0.67 0.28 -1.26 -0.51 120.64 116.43 2kwb n GLU 62 Ca 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2kwb n GLU 62 Cb 0.00 -4.37 0.00 0.00 1.43 0.00 0.00 31.44 28.50 2kwb n GLU 62 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kwb n HIS 63 N -3.47 0.00 -2.10 -1.84 -0.00 -1.26 -4.98 115.22 101.57 2kwb n HIS 63 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.44 2kwb n HIS 63 Cb 0.43 -0.73 0.02 0.00 -0.00 0.00 0.00 29.99 29.71 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 -2.47 2.79 -0.98 3.57 1.01 0.33 -4.88 120.40 119.77 2kwb s VAL 64 Ca 0.00 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 2kwb s VAL 64 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 2kwb s VAL 64 CO 0.00 -0.06 2.04 -0.62 0.00 0.00 0.00 175.10 176.46 2kwb n GLU 65 N -1.11 1.95 -2.75 2.72 4.71 -0.52 -4.90 120.64 120.73 2kwb n GLU 65 Ca 0.11 -2.01 -0.43 0.00 -0.01 0.00 0.00 57.16 54.82 2kwb n GLU 65 Cb 0.49 -2.97 -0.03 0.00 -1.01 0.00 0.00 31.44 27.91 2kwb n GLU 65 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2kwb s ARG 66 N 4.34 3.64 0.00 3.49 3.52 -1.26 -1.98 118.95 130.70 2kwb s ARG 66 Ca 0.54 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 2kwb s ARG 66 Cb 0.14 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 2kwb s ARG 66 CO 0.05 -1.23 0.00 0.41 -0.81 0.00 0.00 175.30 173.71 2kwb n GLY 67 N 4.82 0.95 3.60 8.12 0.00 -0.85 -5.05 105.19 116.78 2kwb n GLY 67 Ca 0.08 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.41 3.51 0.18 -0.61 -4.36 -1.26 -0.80 121.20 116.45 2kwb s ILE 68 Ca 0.00 -1.25 -0.22 0.00 -0.26 0.00 0.00 60.65 58.92 2kwb s ILE 68 Cb 0.00 -2.66 0.09 0.00 1.25 0.00 0.00 42.46 41.13 2kwb s ILE 68 CO 0.00 0.08 1.42 -0.67 0.24 0.00 0.00 174.94 176.02 2kwb n ASP 69 N 0.58 -0.77 0.09 4.36 -0.08 0.36 -1.70 116.55 119.39 2kwb n ASP 69 Ca -0.12 1.62 -0.12 0.00 -1.51 0.00 0.00 54.79 54.65 2kwb n ASP 69 Cb 0.53 -0.30 -0.05 0.00 2.34 0.00 0.00 41.12 43.64 2kwb n ASP 69 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2kwb h ILE 70 N 0.00 0.34 -0.25 5.18 2.04 -1.96 -0.14 117.51 122.72 2kwb h ILE 70 Ca 0.24 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.99 2kwb h ILE 70 Cb 0.47 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2kwb h ILE 70 CO -0.89 0.00 -0.32 -0.37 0.00 0.00 0.00 178.15 176.57 2kwb h VAL 71 N -0.49 1.28 -0.14 1.67 -1.51 -1.80 -0.08 116.25 115.18 2kwb h VAL 71 Ca 0.05 -1.42 -0.04 0.00 -1.23 0.00 0.00 66.70 64.05 2kwb h VAL 71 Cb 0.55 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2kwb h VAL 71 CO -0.22 0.45 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.43 2kwb h LEU 72 N 0.45 0.31 -0.34 4.19 3.38 -1.13 0.15 115.31 122.31 2kwb h LEU 72 Ca 0.05 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 2kwb h LEU 72 Cb 0.78 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kwb h LEU 72 CO 0.06 0.66 -0.03 -1.13 0.09 0.00 0.00 178.44 178.09 2kwb h ASN 73 N -0.04 0.62 0.54 -0.43 -1.24 -0.92 -2.79 115.58 111.32 2kwb h ASN 73 Ca 0.03 -0.33 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2kwb h ASN 73 Cb 0.54 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2kwb h ASN 73 CO 0.02 0.80 -0.06 1.57 -1.29 0.00 0.00 177.43 178.47 2kwb n HIS 74 N -4.48 0.00 -2.88 0.67 -0.00 -0.05 -4.96 115.22 103.52 2kwb n HIS 74 Ca -0.02 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.16 2kwb n HIS 74 Cb 0.29 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 2kwb n HIS 74 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2kwb n LYS 75 N -1.20 -1.17 -4.70 1.57 3.00 0.05 -4.91 118.16 110.80 2kwb n LYS 75 Ca 0.13 1.39 -0.33 0.00 -0.00 0.00 0.00 58.31 59.49 2kwb n LYS 75 Cb 0.27 -5.27 -0.12 0.00 0.00 0.00 0.00 35.03 29.91 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kwb s LEU 76 N -3.76 3.00 0.10 3.14 1.43 0.30 -3.62 118.68 119.28 2kwb s LEU 76 Ca 0.00 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 2kwb s LEU 76 Cb -0.00 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 2kwb s LEU 76 CO 0.66 0.31 0.51 0.54 0.23 0.00 0.00 176.35 178.60 2kwb s VAL 77 N -0.52 4.91 -0.05 -1.59 0.11 -0.49 -4.82 120.40 117.94 2kwb s VAL 77 Ca 0.07 0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 59.65 2kwb s VAL 77 Cb -0.12 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 2kwb s VAL 77 CO 0.02 0.35 1.02 -0.70 -3.33 0.00 0.00 175.10 172.45 2kwb s GLU 78 N -1.70 4.47 0.22 1.54 2.12 -1.26 -2.33 118.70 121.76 2kwb s GLU 78 Ca 0.34 1.44 0.04 0.00 0.36 0.00 0.00 54.97 57.14 2kwb s GLU 78 Cb -0.16 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 2kwb s GLU 78 CO 0.18 -0.21 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.03 2kwb s MET 79 N 1.58 1.31 0.06 4.30 -1.94 0.11 -5.00 119.30 119.71 2kwb s MET 79 Ca 0.51 -1.65 -0.04 0.00 -1.71 0.00 0.00 55.69 52.80 2kwb s MET 79 Cb -0.20 -0.63 -0.02 0.00 2.01 0.00 0.00 34.83 35.99 2kwb s MET 79 CO 0.23 -0.07 0.05 1.21 -0.01 0.00 0.00 175.02 176.43 2kwb s ASN 80 N -3.29 0.33 0.57 3.03 3.84 -1.26 -1.55 114.94 116.60 2kwb s ASN 80 Ca 0.27 -0.81 0.31 0.00 0.21 0.00 0.00 52.86 52.84 2kwb s ASN 80 Cb 0.05 0.24 1.44 0.00 -0.55 0.00 0.00 41.25 42.43 2kwb s ASN 80 CO 0.08 -0.61 1.81 0.00 -2.79 0.00 0.00 177.10 175.58 2kwb h TYR 82 N 0.00 0.86 0.00 0.00 -0.00 -2.00 0.13 116.97 115.96 2kwb h TYR 82 Ca 0.38 0.04 -0.28 0.00 -0.00 0.00 0.00 58.73 58.86 2kwb h TYR 82 Cb 1.75 -0.23 -0.05 0.00 -0.00 0.00 0.00 36.73 38.20 2kwb h TYR 82 CO 0.00 0.01 -2.08 -1.91 -0.00 0.00 0.00 178.16 174.19 2kwb n GLU 83 N -4.95 0.66 0.09 0.10 2.13 -0.64 -4.65 120.64 113.38 2kwb n GLU 83 Ca 0.25 0.09 0.11 0.00 0.66 0.00 0.00 57.16 58.27 2kwb n GLU 83 Cb 0.71 -1.38 0.45 0.00 0.27 0.00 0.00 31.44 31.49 2kwb n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kwb n ASP 84 N -2.98 0.53 -0.09 4.31 2.03 -0.14 -4.12 116.55 116.09 2kwb n ASP 84 Ca -0.32 0.61 -0.05 0.00 0.52 0.00 0.00 54.79 55.55 2kwb n ASP 84 Cb 0.88 -0.73 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 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 2.39 -0.39 0.00 -1.67 0.00 -0.97 0.23 119.26 118.85 2kwb h ALA 85 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kwb h ALA 85 Cb 0.40 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kwb h ALA 85 CO 0.00 -0.51 0.00 1.03 0.00 0.00 0.00 179.25 179.77 2kwb h SER 86 N -0.10 0.00 0.32 0.00 0.87 -1.85 -2.74 113.55 110.05 2kwb h SER 86 Ca 0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2kwb h SER 86 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2kwb h SER 86 CO -0.28 0.00 -0.15 0.24 -0.53 0.00 0.00 176.83 176.10 2kwb h MET 87 N 0.00 -0.41 -0.34 2.24 2.07 -0.97 -1.64 114.93 115.88 2kwb h MET 87 Ca 0.00 0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.67 2kwb h MET 87 Cb 0.53 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.34 2kwb h MET 87 CO 0.00 -0.28 0.23 0.27 1.07 0.00 0.00 176.91 178.20 2kwb h PHE 88 N -0.76 0.39 -0.36 -0.22 -5.15 -0.76 0.90 116.94 110.97 2kwb h PHE 88 Ca -0.04 0.01 0.04 0.00 -0.20 0.00 0.00 57.97 57.77 2kwb h PHE 88 Cb 0.33 -0.13 -0.04 0.00 0.22 0.00 0.00 35.95 36.33 2kwb h PHE 88 CO 0.04 0.24 0.14 -0.22 -2.00 0.00 0.00 178.31 176.51 2kwb h LYS 89 N 0.41 0.30 -0.42 6.09 3.64 -1.54 0.15 116.57 125.20 2kwb h LYS 89 Ca 0.13 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 2kwb h LYS 89 Cb 0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2kwb h LYS 89 CO -0.03 0.20 -0.24 0.00 -2.27 0.00 0.00 179.45 177.11 2kwb h ALA 90 N 1.22 0.79 -0.60 5.00 0.00 -0.21 -2.50 119.26 122.97 2kwb h ALA 90 Ca 0.16 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2kwb h ALA 90 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kwb h ALA 90 CO -0.15 0.65 0.11 1.88 0.00 0.00 0.00 179.25 181.74 2kwb h TYR 91 N 0.74 1.04 -0.59 0.00 0.05 -0.53 -1.94 116.97 115.74 2kwb h TYR 91 Ca 0.10 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 2kwb h TYR 91 Cb 0.78 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 2kwb h TYR 91 CO 0.04 0.90 0.22 0.82 -1.05 0.00 0.00 178.16 179.09 2kwb h ILE 92 N 0.89 1.22 0.52 -2.88 1.08 -0.68 0.25 117.51 117.90 2kwb h ILE 92 Ca 0.18 -0.70 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2kwb h ILE 92 Cb 0.41 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2kwb h ILE 92 CO 0.01 0.27 -0.32 0.50 -0.69 0.00 0.00 178.15 177.93 2kwb h LYS 93 N 0.85 -0.77 -0.50 2.37 1.63 -1.06 0.10 116.57 119.19 2kwb h LYS 93 Ca 0.20 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.06 2kwb h LYS 93 Cb 0.20 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2kwb h LYS 93 CO -0.02 -0.51 0.33 -0.22 -3.45 0.00 0.00 179.45 175.58 2kwb h LYS 94 N -0.80 0.65 0.58 1.90 1.63 -1.23 -2.78 116.57 116.51 2kwb h LYS 94 Ca -0.06 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 2kwb h LYS 94 Cb 0.65 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 2kwb h LYS 94 CO 0.06 0.43 -0.41 0.35 -3.45 0.00 0.00 179.45 176.43 2kwb h PHE 95 N 0.67 -1.11 -0.31 1.91 3.57 -0.35 -1.14 116.94 120.17 2kwb h PHE 95 Ca 0.19 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2kwb h PHE 95 Cb -0.06 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 2kwb h PHE 95 CO -0.04 -0.59 -0.08 0.52 -2.23 0.00 0.00 178.31 175.88 2kwb h MET 96 N -0.94 -0.01 -0.75 1.11 2.86 -0.83 0.38 114.93 116.74 2kwb h MET 96 Ca -0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2kwb h MET 96 Cb 0.77 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 2kwb h MET 96 CO 0.04 -0.01 0.44 -0.22 1.06 0.00 0.00 176.91 178.22 2kwb h LYS 97 N -0.01 1.03 -0.08 1.72 1.63 -1.50 -1.17 116.57 118.19 2kwb h LYS 97 Ca 0.15 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 2kwb h LYS 97 Cb 0.24 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2kwb h LYS 97 CO -0.33 0.74 -0.05 -0.97 -3.45 0.00 0.00 179.45 175.40 2kwb h ASN 98 N 1.03 0.19 -0.37 4.20 -0.73 -0.59 -2.24 115.58 117.07 2kwb h ASN 98 Ca 0.27 -0.43 -0.13 0.00 1.87 0.00 0.00 56.30 57.88 2kwb h ASN 98 Cb -0.01 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 2kwb h ASN 98 CO -0.05 0.57 -0.28 -0.37 -0.37 0.00 0.00 177.43 176.93 2kwb h VAL 99 N -0.20 1.28 -0.37 2.57 -1.51 -0.87 -2.40 116.25 114.76 2kwb h VAL 99 Ca 0.02 -1.44 -0.12 0.00 -1.23 0.00 0.00 66.70 63.92 2kwb h VAL 99 Cb 0.50 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2kwb h VAL 99 CO 0.01 0.48 -0.27 -0.29 -1.23 0.00 0.00 177.57 176.27 2kwb h ILE 100 N 0.64 1.27 0.45 7.19 6.09 -1.30 0.21 117.51 132.07 2kwb h ILE 100 Ca 0.07 -1.40 -0.01 0.00 -1.37 0.00 0.00 64.86 62.15 2kwb h ILE 100 Cb 0.86 1.27 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 2kwb h ILE 100 CO 0.07 0.46 -0.47 -0.78 -3.07 0.00 0.00 178.15 174.37 2kwb h ASP 101 N 0.67 -1.29 -0.33 2.19 1.82 -1.33 0.30 116.42 118.45 2kwb h ASP 101 Ca 0.08 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 2kwb h ASP 101 Cb 0.79 0.43 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2kwb h ASP 101 CO 0.07 -0.61 0.12 0.45 -1.61 0.00 0.00 179.24 177.66 2kwb h HIS 102 N -0.92 0.56 -0.71 0.28 3.86 -1.39 -1.17 115.15 115.66 2kwb h HIS 102 Ca -0.06 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2kwb h HIS 102 Cb 0.80 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 2kwb h HIS 102 CO -0.25 0.47 0.40 1.98 0.86 0.00 0.00 177.93 181.39 2kwb h MET 103 N 0.56 0.98 0.00 2.45 1.85 -0.71 -1.68 114.93 118.38 2kwb h MET 103 Ca 0.13 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 2kwb h MET 103 Cb 0.17 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.00 2kwb h MET 103 CO -0.01 0.72 0.00 -0.85 -0.40 0.00 0.00 176.91 176.37 2kwb n GLU 104 N -4.50 0.13 0.08 0.39 0.28 0.07 -1.38 120.64 115.72 2kwb n GLU 104 Ca 0.06 0.03 -0.03 0.00 -0.16 0.00 0.00 57.16 57.06 2kwb n GLU 104 Cb 0.08 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.39 2kwb n GLU 104 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2kwb h LYS 105 N 0.00 0.00 0.00 3.44 1.79 -0.29 -2.82 116.57 118.69 2kwb h LYS 105 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 2kwb h LYS 105 Cb 0.40 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 2kwb h LYS 105 CO 0.00 0.71 -2.27 0.27 -1.08 0.00 0.00 179.45 177.07 2kwb n ASN 106 N -3.24 1.73 -0.13 0.86 0.23 -1.04 -4.77 115.26 108.90 2kwb n ASN 106 Ca -0.01 -0.09 -0.27 0.00 -0.53 0.00 0.00 54.58 53.69 2kwb n ASN 106 Cb 0.86 0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 38.51 2kwb n ASN 106 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kwb n ASN 107 N -3.01 1.94 0.00 0.53 3.02 -0.48 -4.99 115.26 112.27 2kwb n ASN 107 Ca -0.37 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2kwb n ASN 107 Cb 0.98 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2kwb n ASN 107 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kwb n ARG 108 N -4.30 0.00 -2.94 3.52 0.00 -1.06 -4.93 116.66 106.95 2kwb n ARG 108 Ca -0.48 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.01 2kwb n ARG 108 Cb 0.82 -0.16 -0.06 0.00 0.00 0.00 0.00 32.46 33.05 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 0.00 7.21 0.30 6.15 1.01 -1.26 -4.91 116.67 125.17 2kwb s ASP 109 Ca 0.00 1.63 -0.01 0.00 0.71 0.00 0.00 52.55 54.89 2kwb s ASP 109 Cb 0.00 -2.50 0.48 0.00 1.01 0.00 0.00 42.92 41.91 2kwb s ASP 109 CO 0.00 -0.01 1.95 0.07 0.21 0.00 0.00 175.17 177.39 2kwb h LYS 110 N 3.32 1.05 -0.66 8.23 2.10 -1.97 -2.02 116.57 126.62 2kwb h LYS 110 Ca -0.47 -0.06 0.19 0.00 -2.00 0.00 0.00 60.65 58.30 2kwb h LYS 110 Cb 1.19 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 32.26 2kwb h LYS 110 CO 0.65 0.69 0.50 0.00 -2.00 0.00 0.00 179.45 179.29 2kwb h ALA 111 N 1.50 2.58 0.00 0.07 0.00 -1.99 -0.02 119.26 121.39 2kwb h ALA 111 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kwb h ALA 111 Cb -0.01 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kwb h ALA 111 CO -0.09 -0.84 -0.67 -3.47 0.00 0.00 0.00 179.25 174.18 2kwb n ASP 112 N -4.21 1.68 0.27 0.00 -0.08 -0.82 -4.36 116.55 109.02 2kwb n ASP 112 Ca 0.13 0.45 0.11 0.00 -1.51 0.00 0.00 54.79 53.97 2kwb n ASP 112 Cb 0.75 -0.78 0.75 0.00 2.34 0.00 0.00 41.12 44.19 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 -0.90 0.78 -0.53 5.18 -1.51 -1.33 -0.94 116.25 117.00 2kwb h VAL 113 Ca 0.00 -0.13 -0.09 0.00 -1.23 0.00 0.00 66.70 65.25 2kwb h VAL 113 Cb 0.67 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 2kwb h VAL 113 CO 0.00 0.03 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.55 2kwb h ASP 114 N 0.00 0.93 -0.12 4.19 3.58 -1.23 0.17 116.42 123.94 2kwb h ASP 114 Ca -0.00 -0.27 -0.07 0.00 0.42 0.00 0.00 57.03 57.11 2kwb h ASP 114 Cb 0.07 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 2kwb h ASP 114 CO 0.00 1.01 -0.20 0.00 -2.88 0.00 0.00 179.24 177.17 2kwb h ALA 115 N 1.08 0.18 0.05 -0.78 0.00 -1.39 -1.41 119.26 116.99 2kwb h ALA 115 Ca 0.15 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kwb h ALA 115 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kwb h ALA 115 CO 0.03 0.12 -0.14 0.35 0.00 0.00 0.00 179.25 179.61 2kwb h PHE 116 N -0.08 -0.36 0.00 0.00 3.57 -1.36 -0.20 116.94 118.51 2kwb h PHE 116 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kwb h PHE 116 Cb 0.78 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 2kwb h PHE 116 CO 0.10 -0.21 -0.05 -0.22 -2.23 0.00 0.00 178.31 175.70 2kwb h LYS 117 N -0.26 0.00 -0.13 1.11 3.64 -1.00 -1.80 116.57 118.12 2kwb h LYS 117 Ca 0.03 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2kwb h LYS 117 Cb 0.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2kwb h LYS 117 CO -0.10 0.05 -0.11 -0.22 -2.27 0.00 0.00 179.45 176.81 2kwb h LYS 118 N 0.00 0.30 0.15 1.90 1.63 -0.70 -2.16 116.57 117.69 2kwb h LYS 118 Ca -0.00 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2kwb h LYS 118 Cb 0.10 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2kwb h LYS 118 CO 0.01 0.68 -0.09 0.87 -3.45 0.00 0.00 179.45 177.47 2kwb h LYS 119 N -0.08 -0.22 -0.21 1.90 1.79 -0.35 0.98 116.57 120.39 2kwb h LYS 119 Ca 0.02 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.42 2kwb h LYS 119 Cb 0.61 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2kwb h LYS 119 CO 0.03 -0.15 -0.25 0.97 -1.08 0.00 0.00 179.45 178.97 2kwb h ILE 120 N -0.23 1.26 -0.08 1.86 6.09 -1.46 0.91 117.51 125.86 2kwb h ILE 120 Ca -0.02 -1.22 -0.02 0.00 -1.37 0.00 0.00 64.86 62.24 2kwb h ILE 120 Cb 0.19 1.38 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 2kwb h ILE 120 CO 0.02 0.38 -0.01 -0.61 -3.07 0.00 0.00 178.15 174.86 2kwb h GLN 121 N 0.34 0.15 -0.60 2.19 -0.00 -1.23 -2.42 115.11 113.54 2kwb h GLN 121 Ca 0.05 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2kwb h GLN 121 Cb 0.63 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.07 2kwb h GLN 121 CO 0.05 0.45 0.40 0.78 0.00 0.00 0.00 178.83 180.50 2kwb h GLY 122 N -0.17 0.83 0.84 2.39 0.00 -0.56 -2.29 103.07 104.11 2kwb h GLY 122 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2kwb h GLY 122 CO 0.01 0.28 -0.36 -0.25 0.00 0.00 0.00 176.54 176.22 2kwb h TRP 123 N 0.77 -0.95 -0.16 5.60 7.01 -0.69 -2.01 115.95 125.53 2kwb h TRP 123 Ca 0.23 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 2kwb h TRP 123 Cb -0.04 0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 2kwb h TRP 123 CO -0.00 -0.54 0.08 -0.39 -2.79 0.00 0.00 178.44 174.80 2kwb h VAL 124 N -0.88 1.11 0.00 2.65 -1.51 -1.27 -0.28 116.25 116.07 2kwb h VAL 124 Ca -0.07 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 2kwb h VAL 124 Cb 0.72 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2kwb h VAL 124 CO 0.07 0.10 -0.10 -0.37 -1.23 0.00 0.00 177.57 176.04 2kwb h VAL 125 N 0.15 0.97 0.00 7.19 -1.51 -1.45 0.35 116.25 121.94 2kwb h VAL 125 Ca 0.06 -0.36 -0.11 0.00 -1.23 0.00 0.00 66.70 65.05 2kwb h VAL 125 Cb 0.09 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 2kwb h VAL 125 CO -0.01 0.10 -0.68 0.28 -1.23 0.00 0.00 177.57 176.03 2kwb h SER 126 N 0.00 0.00 0.74 4.19 0.02 -1.06 -3.34 113.55 114.11 2kwb h SER 126 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2kwb h SER 126 Cb 0.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2kwb h SER 126 CO 0.01 0.49 -1.38 0.25 -1.14 0.00 0.00 176.83 175.07 2kwb h LEU 127 N 0.00 0.00 0.00 5.07 5.85 0.56 -3.34 115.31 123.45 2kwb h LEU 127 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kwb h LEU 127 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2kwb h LEU 127 CO 0.06 0.81 0.00 0.18 -0.34 0.00 0.00 178.44 179.15 2kwb n LEU 128 N -3.06 0.00 -4.56 2.25 4.77 0.11 -4.76 117.00 111.75 2kwb n LEU 128 Ca -0.10 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 2kwb n LEU 128 Cb 0.93 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.96 2kwb n LEU 128 CO 0.44 0.00 1.40 0.00 -1.33 0.00 0.00 177.39 177.90 2kwb n ALA 129 N -0.88 0.44 -0.26 -1.18 0.00 -1.26 -4.81 120.51 112.56 2kwb n ALA 129 Ca 0.18 -1.29 0.02 0.00 0.00 0.00 0.00 53.44 52.36 2kwb n ALA 129 Cb 0.08 -3.25 0.15 0.00 0.00 0.00 0.00 19.45 16.44 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 14.10 0.65 -0.84 0.00 2.10 -1.93 -0.26 116.57 130.39 2kwb h LYS 130 Ca -0.05 -0.04 0.17 0.00 -2.00 0.00 0.00 60.65 58.74 2kwb h LYS 130 Cb 1.06 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 32.18 2kwb h LYS 130 CO 1.05 0.43 0.55 -0.44 -2.00 0.00 0.00 179.45 179.04 2kwb h ASP 131 N 0.67 0.43 0.00 7.07 5.19 -1.99 0.13 116.42 127.91 2kwb h ASP 131 Ca 0.37 0.03 -0.39 0.00 -0.62 0.00 0.00 57.03 56.43 2kwb h ASP 131 Cb 0.39 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 2kwb h ASP 131 CO -0.27 0.20 -2.32 0.54 -3.12 0.00 0.00 179.24 174.27 2kwb n ARG 132 N -4.50 0.51 0.00 3.56 3.00 -1.03 -4.64 116.66 113.56 2kwb n ARG 132 Ca 0.17 0.20 0.13 0.00 -0.01 0.00 0.00 57.85 58.35 2kwb n ARG 132 Cb 0.60 -1.36 0.67 0.00 0.00 0.00 0.00 32.46 32.37 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwb n PHE 133 N -3.90 0.00 0.07 -1.55 3.72 -0.14 -3.03 117.46 112.63 2kwb n PHE 133 Ca -0.46 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 56.99 2kwb n PHE 133 Cb 0.85 -0.33 0.23 0.00 -0.94 0.00 0.00 39.48 39.29 2kwb n PHE 133 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2kwb n LYS 134 N -1.33 0.05 -0.52 -1.08 -0.00 0.45 -1.29 118.16 114.44 2kwb n LYS 134 Ca 0.12 0.53 0.05 0.00 -0.00 0.00 0.00 58.31 59.01 2kwb n LYS 134 Cb 0.24 -1.73 0.25 0.00 -0.00 0.00 0.00 35.03 33.80 2kwb n LYS 134 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kwb n ASN 135 N -1.78 3.78 -4.83 -5.58 3.02 -1.17 -4.94 115.26 103.76 2kwb n ASN 135 Ca -0.01 -2.50 -0.36 0.00 -0.03 0.00 0.00 54.58 51.69 2kwb n ASN 135 Cb 0.06 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 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 -1.63 4.34 -0.23 3.41 1.43 -0.41 -4.75 118.68 120.83 2kwb s LEU 136 Ca 0.34 1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 54.59 2kwb s LEU 136 Cb 0.25 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 2kwb s LEU 136 CO 0.12 0.07 0.06 0.00 0.23 0.00 0.00 176.35 176.83 2kwb s ALA 137 N -1.49 3.17 -0.44 4.21 0.00 -1.05 -4.80 121.76 121.37 2kwb s ALA 137 Ca 0.40 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 2kwb s ALA 137 Cb -0.16 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.00 2kwb s ALA 137 CO 0.20 -0.34 0.41 -0.06 0.00 0.00 0.00 175.76 175.98 2kwb s PHE 138 N 1.33 3.19 -0.18 0.00 0.08 -0.60 -1.51 117.98 120.29 2kwb s PHE 138 Ca 0.05 -0.55 -0.08 0.00 0.12 0.00 0.00 56.93 56.47 2kwb s PHE 138 Cb -0.15 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 2kwb s PHE 138 CO 0.03 -0.73 0.08 -0.06 -0.10 0.00 0.00 175.22 174.44 2kwb s PHE 139 N 1.98 3.29 0.14 0.36 0.40 -0.79 0.06 117.98 123.42 2kwb s PHE 139 Ca 0.09 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 2kwb s PHE 139 Cb -0.19 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 2kwb s PHE 139 CO 0.11 0.21 -0.15 -1.50 0.70 0.00 0.00 175.22 174.59 2kwb s ILE 140 N 0.30 1.46 0.45 0.64 2.07 -0.98 -0.71 121.20 124.43 2kwb s ILE 140 Ca 0.05 -1.79 -0.24 0.00 -1.41 0.00 0.00 60.65 57.25 2kwb s ILE 140 Cb -0.12 -1.63 -0.09 0.00 0.13 0.00 0.00 42.46 40.75 2kwb s ILE 140 CO -0.00 -0.41 1.28 0.61 -1.91 0.00 0.00 174.94 174.51 2kwb n GLY 141 N 0.42 0.57 0.30 1.50 0.00 -1.26 -1.39 105.19 105.34 2kwb n GLY 141 Ca -0.14 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.92 -0.45 -1.04 1.61 4.81 -1.91 -1.55 114.58 117.97 2kwb h GLU 142 Ca -0.49 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.05 2kwb h GLU 142 Cb 1.30 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.70 2kwb h GLU 142 CO 0.59 -0.30 0.70 0.00 -0.73 0.00 0.00 179.01 179.27 2kwb h ARG 143 N -0.46 0.26 0.52 1.92 2.47 -1.92 -0.65 114.38 116.51 2kwb h ARG 143 Ca -0.00 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 2kwb h ARG 143 Cb 0.47 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2kwb h ARG 143 CO -0.19 0.17 -0.25 0.00 0.56 0.00 0.00 179.97 180.26 2kwb h ALA 144 N 1.57 -0.70 0.00 0.04 0.00 -1.49 0.56 119.26 119.24 2kwb h ALA 144 Ca 0.55 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2kwb h ALA 144 Cb 1.65 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2kwb h ALA 144 CO -0.19 -0.80 -0.22 0.00 0.00 0.00 0.00 179.25 178.05 2kwb h ALA 145 N -0.54 1.53 -0.02 0.00 0.00 -0.67 -2.40 119.26 117.17 2kwb h ALA 145 Ca -0.07 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2kwb h ALA 145 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kwb h ALA 145 CO 0.12 0.27 -0.71 0.93 0.00 0.00 0.00 179.25 179.86 2kwb h GLU 146 N 0.00 0.12 0.00 0.00 4.39 -1.06 -3.46 114.58 114.57 2kwb h GLU 146 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2kwb h GLU 146 Cb 0.41 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2kwb h GLU 146 CO 0.03 0.78 0.00 0.41 -1.16 0.00 0.00 179.01 179.06 2kwb n GLY 147 N 0.49 -0.05 3.57 -3.84 0.00 -0.31 -5.07 105.19 99.99 2kwb n GLY 147 Ca -0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 148 N -1.39 1.30 -2.00 4.61 0.00 0.04 -4.75 121.76 119.56 2kwb s ALA 148 Ca 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.52 2kwb s ALA 148 Cb 0.00 -4.61 0.35 0.00 0.00 0.00 0.00 23.12 18.85 2kwb s ALA 148 CO 0.00 -5.48 0.73 -0.85 0.00 0.00 0.00 175.76 170.16 2kwb n GLU 149 N 8.61 0.31 -0.62 0.00 0.28 -1.25 -1.63 120.64 126.34 2kwb n GLU 149 Ca 0.43 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.40 2kwb n GLU 149 Cb 0.46 -1.29 0.19 0.00 1.43 0.00 0.00 31.44 32.23 2kwb n GLU 149 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kwb n ASN 150 N -0.79 3.69 -4.73 -1.84 6.94 -1.26 -4.97 115.26 112.30 2kwb n ASN 150 Ca 0.04 -2.72 -0.41 0.00 -0.02 0.00 0.00 54.58 51.47 2kwb n ASN 150 Cb 0.02 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 36.75 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 -0.43 2.87 -0.08 4.83 0.00 -0.64 -3.38 107.32 110.49 2kwb s GLY 151 Ca 0.33 0.70 -0.15 0.00 0.00 0.00 0.00 44.72 45.60 2kwb s GLY 151 CO 0.08 1.62 0.38 1.62 0.00 0.00 0.00 173.10 176.81 2kwb s GLN 152 N 0.05 4.10 -0.07 2.90 0.74 -1.26 -4.96 119.66 121.15 2kwb s GLN 152 Ca 0.50 0.31 -0.14 0.00 0.05 0.00 0.00 55.36 56.08 2kwb s GLN 152 Cb -0.26 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.46 2kwb s GLN 152 CO 0.32 0.43 0.34 0.08 -0.55 0.00 0.00 175.29 175.90 2kwb s VAL 153 N -0.19 5.20 -0.13 1.34 1.01 -1.26 -4.26 120.40 122.10 2kwb s VAL 153 Ca 0.22 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.82 2kwb s VAL 153 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kwb s VAL 153 CO 0.10 0.51 0.06 0.00 0.00 0.00 0.00 175.10 175.76 2kwb s ALA 154 N -0.48 3.48 -0.20 5.51 0.00 0.11 -4.97 121.76 125.22 2kwb s ALA 154 Ca 0.21 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 2kwb s ALA 154 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2kwb s ALA 154 CO 0.09 0.44 0.09 0.42 0.00 0.00 0.00 175.76 176.81 2kwb s ILE 155 N -0.45 4.97 -0.30 0.00 1.01 -1.12 -1.89 121.20 123.42 2kwb s ILE 155 Ca 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 2kwb s ILE 155 Cb -0.12 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 2kwb s ILE 155 CO 0.02 0.43 0.17 -0.63 0.00 0.00 0.00 174.94 174.92 2kwb s ILE 156 N 0.58 4.90 0.01 2.92 -1.09 -0.57 -0.43 121.20 127.52 2kwb s ILE 156 Ca 0.05 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 2kwb s ILE 156 Cb -0.13 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2kwb s ILE 156 CO 0.01 0.15 0.03 -1.83 -1.23 0.00 0.00 174.94 172.07 2kwb s GLU 157 N 1.68 2.86 -0.76 2.79 -1.05 0.23 -2.52 118.70 121.93 2kwb s GLU 157 Ca 0.06 -0.59 -0.26 0.00 -0.15 0.00 0.00 54.97 54.03 2kwb s GLU 157 Cb -0.16 -2.72 0.02 0.00 -0.44 0.00 0.00 34.13 30.82 2kwb s GLU 157 CO 0.08 0.62 1.47 1.52 0.95 0.00 0.00 175.26 179.90 2kwb s TYR 158 N -1.15 2.15 -0.69 4.83 1.13 -1.26 -1.70 117.35 120.66 2kwb s TYR 158 Ca 0.21 0.07 -0.19 0.00 -1.41 0.00 0.00 57.07 55.76 2kwb s TYR 158 Cb -0.12 -4.49 0.12 0.00 -1.10 0.00 0.00 41.96 36.37 2kwb s TYR 158 CO 0.12 -2.10 0.83 0.50 -2.51 0.00 0.00 175.55 172.39 2kwb s ARG 159 N 6.00 3.22 -0.07 -3.49 3.00 0.15 -4.87 118.95 122.89 2kwb s ARG 159 Ca 0.46 -1.46 -0.30 0.00 -1.00 0.00 0.00 55.73 53.43 2kwb s ARG 159 Cb -0.08 -4.40 -0.05 0.00 0.00 0.00 0.00 34.95 30.42 2kwb s ARG 159 CO 0.12 -1.60 1.67 0.16 0.00 0.00 0.00 175.30 175.65 2kwb s ASP 160 N 3.48 6.60 -0.29 -2.12 -4.77 -1.26 -0.60 116.67 117.71 2kwb s ASP 160 Ca 0.18 2.16 0.03 0.00 -3.30 0.00 0.00 52.55 51.62 2kwb s ASP 160 Cb -0.18 -2.53 0.08 0.00 -1.09 0.00 0.00 42.92 39.19 2kwb s ASP 160 CO 0.02 -0.99 -0.03 -0.69 0.70 0.00 0.00 175.17 174.18 2kwb s VAL 161 N 4.27 2.04 -1.36 2.11 1.01 0.38 -4.80 120.40 124.06 2kwb s VAL 161 Ca 0.74 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 2kwb s VAL 161 Cb -0.32 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.77 2kwb s VAL 161 CO 0.30 -0.30 0.46 0.47 0.00 0.00 0.00 175.10 176.03 2kwb n ASP 162 N 4.42 -4.59 0.00 3.32 8.00 -1.26 -1.33 116.55 125.11 2kwb n ASP 162 Ca -0.06 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.16 2kwb n ASP 162 Cb 0.42 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 163 N -1.24 2.70 3.39 0.44 0.00 -1.26 -5.06 105.19 104.16 2kwb n GLY 163 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.52 4.35 -0.39 2.61 2.01 -0.44 -4.73 115.64 116.53 2kwb s THR 164 Ca 0.00 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2kwb s THR 164 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2kwb s THR 164 CO 0.00 -0.01 1.49 -1.61 -0.69 0.00 0.00 174.62 173.81 2kwb s GLU 165 N 1.55 3.54 -0.10 4.92 2.02 -1.26 -0.47 118.70 128.90 2kwb s GLU 165 Ca 0.03 1.06 -0.05 0.00 0.02 0.00 0.00 54.97 56.03 2kwb s GLU 165 Cb -0.18 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 2kwb s GLU 165 CO 0.05 -1.61 0.09 0.14 0.02 0.00 0.00 175.26 173.95 2kwb s VAL 166 N 5.70 5.04 -0.30 2.63 -7.23 0.23 -4.81 120.40 121.66 2kwb s VAL 166 Ca 0.65 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.56 2kwb s VAL 166 Cb -0.16 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 33.61 2kwb s VAL 166 CO 0.33 0.61 1.37 -2.16 -0.31 0.00 0.00 175.10 174.94 2kwb s PRO 167 N -0.99 3.85 0.14 4.82 0.04 -1.26 -0.67 135.00 140.92 2kwb s PRO 167 Ca 0.15 1.28 0.10 0.00 0.04 0.00 0.00 61.00 62.57 2kwb s PRO 167 Cb -0.12 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2kwb s PRO 167 CO 0.04 -1.21 -0.23 0.95 0.04 0.00 0.00 177.00 176.58 2kwb s THR 168 N 4.66 2.47 -0.12 1.26 -4.23 -0.69 -4.08 115.64 114.92 2kwb s THR 168 Ca 0.60 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 59.31 2kwb s THR 168 Cb -0.18 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 2kwb s THR 168 CO 0.25 0.05 0.13 -0.22 -0.54 0.00 0.00 174.62 174.30 2kwb s LEU 169 N -2.21 4.34 -0.05 4.79 2.96 -0.18 -0.60 118.68 127.72 2kwb s LEU 169 Ca 0.17 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 2kwb s LEU 169 Cb -0.10 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 2kwb s LEU 169 CO 0.08 0.41 -0.20 0.00 -1.32 0.00 0.00 176.35 175.31 2kwb s MET 170 N -1.04 2.16 0.01 1.98 0.23 0.43 -0.29 119.30 122.78 2kwb s MET 170 Ca 0.15 -0.73 -0.02 0.00 -1.03 0.00 0.00 55.69 54.06 2kwb s MET 170 Cb -0.12 -1.83 -0.01 0.00 -1.53 0.00 0.00 34.83 31.34 2kwb s MET 170 CO 0.04 0.28 0.03 -0.51 -2.03 0.00 0.00 175.02 172.83 2kwb s LEU 171 N 0.02 1.97 -0.25 0.18 1.43 -1.07 -2.80 118.68 118.15 2kwb s LEU 171 Ca -0.05 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2kwb s LEU 171 Cb -0.13 0.28 -0.05 0.00 0.03 0.00 0.00 46.19 46.32 2kwb s LEU 171 CO 0.03 -0.27 0.16 -0.69 0.23 0.00 0.00 176.35 175.81 2kwb s VAL 172 N -1.19 5.18 -1.40 -1.59 1.01 -1.26 -0.15 120.40 121.00 2kwb s VAL 172 Ca -0.13 0.12 0.21 0.00 0.00 0.00 0.00 61.98 62.18 2kwb s VAL 172 Cb -0.08 -3.43 0.36 0.00 0.00 0.00 0.00 36.38 33.23 2kwb s VAL 172 CO -0.00 0.31 1.68 2.29 0.00 0.00 0.00 175.10 179.38 2kwb n LYS 173 N 4.63 0.28 0.13 2.72 0.00 -1.23 -1.04 118.16 123.67 2kwb n LYS 173 Ca -0.15 0.09 0.13 0.00 -0.00 0.00 0.00 58.31 58.38 2kwb n LYS 173 Cb 0.52 -1.50 0.45 0.00 -0.00 0.00 0.00 35.03 34.50 2kwb n LYS 173 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2kwb h GLU 174 N 0.00 0.00 0.00 -1.58 4.39 -1.94 -3.14 114.58 112.32 2kwb h GLU 174 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2kwb h GLU 174 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2kwb h GLU 174 CO 0.00 0.00 -2.02 0.00 -1.16 0.00 0.00 179.01 175.83 2kwb n ALA 175 N -1.81 2.41 -3.63 3.43 0.00 -0.20 -4.86 120.51 115.85 2kwb n ALA 175 Ca 0.04 -0.72 -0.17 0.00 0.00 0.00 0.00 53.44 52.58 2kwb n ALA 175 Cb 0.33 -0.63 -0.16 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.22 0.25 -0.27 0.00 -4.36 -1.15 0.37 121.20 112.82 2kwb s ILE 176 Ca -0.08 0.03 -0.09 0.00 -0.26 0.00 0.00 60.65 60.25 2kwb s ILE 176 Cb 0.11 -0.32 -0.03 0.00 1.25 0.00 0.00 42.46 43.48 2kwb s ILE 176 CO 0.88 0.15 0.11 -0.63 0.24 0.00 0.00 174.94 175.69 2kwb s ILE 177 N 0.90 4.59 0.03 8.37 -1.09 -0.67 -4.52 121.20 128.81 2kwb s ILE 177 Ca -0.10 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 2kwb s ILE 177 Cb -0.13 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 2kwb s ILE 177 CO -0.01 0.26 0.28 -1.83 -1.23 0.00 0.00 174.94 172.40 2kwb s GLU 178 N 1.65 3.57 0.02 2.79 1.03 -1.26 -1.11 118.70 125.39 2kwb s GLU 178 Ca 0.06 -0.12 0.04 0.00 0.03 0.00 0.00 54.97 54.98 2kwb s GLU 178 Cb -0.16 -3.04 -0.02 0.00 -0.80 0.00 0.00 34.13 30.12 2kwb s GLU 178 CO 0.06 0.62 -0.12 -2.00 -1.33 0.00 0.00 175.26 172.48 2kwb s GLU 179 N -1.99 0.87 -0.53 -4.83 2.56 0.68 -4.98 118.70 110.48 2kwb s GLU 179 Ca 0.30 -0.61 -0.22 0.00 0.00 0.00 0.00 54.97 54.44 2kwb s GLU 179 Cb -0.13 -0.85 0.05 0.00 2.00 0.00 0.00 34.13 35.20 2kwb s GLU 179 CO 0.19 0.22 0.81 -1.59 -0.56 0.00 0.00 175.26 174.33 2kwb s LYS 180 N -0.83 3.25 -0.61 4.30 -2.85 -1.26 -2.53 119.74 119.20 2kwb s LYS 180 Ca 0.02 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.50 2kwb s LYS 180 Cb -0.07 -4.06 0.15 0.00 -2.06 0.00 0.00 37.83 31.79 2kwb s LYS 180 CO 0.01 -1.37 0.40 0.00 0.10 0.00 0.00 175.35 174.49 2kwb n LEU 182 N 3.07 0.00 -0.38 0.00 -0.00 -1.26 -4.53 117.00 113.90 2kwb n LEU 182 Ca 0.09 -0.90 0.05 0.00 -0.00 0.00 0.00 56.01 55.25 2kwb n LEU 182 Cb 0.35 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.81 2kwb n LEU 182 CO 0.33 0.94 0.40 -0.62 -0.00 0.00 0.00 177.39 178.44