#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 4.22 -0.29 4.03 2.96 0.40 -3.57 118.68 126.43 2kwb s LEU 2 Ca 0.00 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.01 2kwb s LEU 2 Cb 0.00 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.42 2kwb s LEU 2 CO 0.00 -0.32 0.19 -0.63 -1.32 0.00 0.00 176.35 174.27 2kwb s ILE 3 N 1.76 5.26 -0.12 6.68 1.01 -0.74 -0.52 121.20 134.52 2kwb s ILE 3 Ca 0.39 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.11 2kwb s ILE 3 Cb -0.17 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2kwb s ILE 3 CO 0.15 0.22 0.01 -0.72 0.00 0.00 0.00 174.94 174.60 2kwb s TYR 4 N 1.75 3.16 -0.14 3.97 -0.85 0.69 0.35 117.35 126.26 2kwb s TYR 4 Ca 0.07 0.06 -0.02 0.00 -0.52 0.00 0.00 57.07 56.66 2kwb s TYR 4 Cb -0.16 -1.89 0.05 0.00 0.38 0.00 0.00 41.96 40.33 2kwb s TYR 4 CO 0.11 0.29 0.02 0.21 -1.52 0.00 0.00 175.55 174.65 2kwb s LYS 5 N -0.33 0.70 0.65 -3.49 2.20 0.30 -2.19 119.74 117.58 2kwb s LYS 5 Ca 0.07 -0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.35 2kwb s LYS 5 Cb -0.12 -1.67 -0.02 0.00 -1.51 0.00 0.00 37.83 34.51 2kwb s LYS 5 CO 0.02 -0.49 1.05 -0.51 -0.36 0.00 0.00 175.35 175.06 2kwb s ASP 6 N 1.89 5.93 0.59 1.43 1.11 -1.26 -0.87 116.67 125.50 2kwb s ASP 6 Ca 0.02 1.34 0.37 0.00 0.18 0.00 0.00 52.55 54.46 2kwb s ASP 6 Cb -0.15 -2.30 1.83 0.00 1.07 0.00 0.00 42.92 43.37 2kwb s ASP 6 CO -0.07 -1.05 2.17 0.16 1.18 0.00 0.00 175.17 177.55 2kwb h ILE 7 N -0.45 0.13 0.00 0.77 3.07 -1.09 -2.64 117.51 117.30 2kwb h ILE 7 Ca -0.44 -0.30 -0.15 0.00 1.55 0.00 0.00 64.86 65.51 2kwb h ILE 7 Cb 1.21 1.26 -0.03 0.00 -0.27 0.00 0.00 36.82 38.99 2kwb h ILE 7 CO 0.62 0.03 -1.71 2.22 -1.05 0.00 0.00 178.15 178.26 2kwb n PHE 8 N -3.21 0.00 0.52 0.16 -1.74 -1.26 -4.55 117.46 107.38 2kwb n PHE 8 Ca -0.01 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.92 2kwb n PHE 8 Cb 0.19 -0.48 0.17 0.00 1.52 0.00 0.00 39.48 40.88 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2kwb n THR 9 N -2.29 0.87 0.09 1.97 -1.04 -1.19 -4.38 114.28 108.31 2kwb n THR 9 Ca -0.14 -0.54 0.05 0.00 -2.04 0.00 0.00 64.05 61.38 2kwb n THR 9 Cb 0.73 -0.11 0.29 0.00 -1.82 0.00 0.00 70.33 69.42 2kwb n THR 9 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kwb n ASP 10 N 0.37 0.28 0.24 8.00 5.75 -1.00 -1.79 116.55 128.39 2kwb n ASP 10 Ca 0.12 0.59 -0.10 0.00 -0.01 0.00 0.00 54.79 55.39 2kwb n ASP 10 Cb 0.49 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 2kwb n ASP 10 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kwb h ASP 11 N 0.00 -0.55 -0.29 -1.12 5.19 -1.88 -3.39 116.42 114.38 2kwb h ASP 11 Ca 0.00 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.33 2kwb h ASP 11 Cb 0.14 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 39.73 2kwb h ASP 11 CO 0.00 -0.22 -0.05 -1.84 -3.12 0.00 0.00 179.24 174.01 2kwb n GLU 12 N -4.73 2.15 -1.45 3.56 0.28 -0.90 -5.05 120.64 114.51 2kwb n GLU 12 Ca -0.08 -3.02 -0.48 0.00 -0.16 0.00 0.00 57.16 53.42 2kwb n GLU 12 Cb 0.26 -1.80 -0.03 0.00 1.43 0.00 0.00 31.44 31.30 2kwb n GLU 12 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2kwb n LEU 13 N -0.95 -0.45 -4.38 -1.84 -0.00 -0.74 -4.97 117.00 103.68 2kwb n LEU 13 Ca 0.28 1.14 -0.22 0.00 -0.00 0.00 0.00 56.01 57.21 2kwb n LEU 13 Cb 0.95 -1.03 -0.08 0.00 -0.00 0.00 0.00 43.42 43.26 2kwb n LEU 13 CO 0.16 -2.55 -0.15 -0.44 -0.00 0.00 0.00 177.39 174.41 2kwb s SER 14 N -0.83 2.08 -0.12 1.45 0.01 -0.93 -4.94 113.70 110.42 2kwb s SER 14 Ca 0.64 -1.70 0.02 0.00 1.31 0.00 0.00 55.95 56.22 2kwb s SER 14 Cb -0.89 0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.88 2kwb s SER 14 CO 0.57 -0.99 -0.16 -0.94 0.41 0.00 0.00 173.24 172.12 2kwb s SER 15 N -3.46 2.57 0.10 2.44 1.04 -1.26 -0.23 113.70 114.90 2kwb s SER 15 Ca 0.33 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2kwb s SER 15 Cb 0.03 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 2kwb s SER 15 CO 0.21 0.02 0.07 0.47 0.98 0.00 0.00 173.24 174.99 2kwb n ASP 16 N 4.20 0.11 -3.50 7.02 9.92 0.32 -4.88 116.55 129.74 2kwb n ASP 16 Ca -0.19 -1.62 -0.29 0.00 -0.53 0.00 0.00 54.79 52.16 2kwb n ASP 16 Cb 0.51 0.43 -0.12 0.00 -0.64 0.00 0.00 41.12 41.30 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 -1.68 3.03 -0.05 -2.24 0.01 -1.26 -0.46 113.70 111.06 2kwb s SER 17 Ca 0.10 -2.27 -0.02 0.00 1.31 0.00 0.00 55.95 55.07 2kwb s SER 17 Cb 0.00 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.78 2kwb s SER 17 CO 0.07 -0.30 0.11 -0.36 0.41 0.00 0.00 173.24 173.17 2kwb s PHE 18 N 0.95 -0.11 0.31 2.43 0.08 -1.26 -5.09 117.98 115.29 2kwb s PHE 18 Ca 0.18 0.36 -0.22 0.00 0.12 0.00 0.00 56.93 57.37 2kwb s PHE 18 Cb -0.23 -0.08 -0.10 0.00 -0.57 0.00 0.00 43.02 42.05 2kwb s PHE 18 CO 0.00 -0.12 0.87 -1.25 -0.10 0.00 0.00 175.22 174.62 2kwb s PRO 19 N 0.86 4.38 0.19 0.24 0.04 -1.26 -5.09 135.00 134.36 2kwb s PRO 19 Ca -0.07 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2kwb s PRO 19 Cb -0.09 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 2kwb s PRO 19 CO -0.04 0.24 -0.02 0.00 0.04 0.00 0.00 177.00 177.22 2kwb s MET 20 N -2.32 1.20 -0.30 4.56 0.23 -1.26 -4.80 119.30 116.61 2kwb s MET 20 Ca 0.51 -1.58 0.03 0.00 -1.03 0.00 0.00 55.69 53.61 2kwb s MET 20 Cb -0.16 -0.50 0.08 0.00 -1.53 0.00 0.00 34.83 32.73 2kwb s MET 20 CO 0.20 -0.07 -0.01 0.15 -2.03 0.00 0.00 175.02 173.27 2kwb s LYS 21 N -3.86 1.65 -0.56 3.16 1.02 0.02 -4.91 119.74 116.26 2kwb s LYS 21 Ca 0.24 -1.53 -0.28 0.00 0.02 0.00 0.00 55.97 54.42 2kwb s LYS 21 Cb 0.05 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2kwb s LYS 21 CO 0.05 -0.79 1.53 -1.17 -0.92 0.00 0.00 175.35 174.05 2kwb s LEU 22 N 1.09 3.37 -0.07 3.17 2.96 -1.26 -0.04 118.68 127.90 2kwb s LEU 22 Ca 0.03 0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 54.11 2kwb s LEU 22 Cb -0.19 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.50 2kwb s LEU 22 CO -0.08 -1.85 0.41 0.54 -1.32 0.00 0.00 176.35 174.05 2kwb s VAL 23 N 6.71 5.14 -0.91 1.68 0.11 0.20 -4.22 120.40 129.11 2kwb s VAL 23 Ca 0.56 0.83 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 2kwb s VAL 23 Cb -0.12 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 2kwb s VAL 23 CO 0.24 0.45 0.00 -0.67 -3.33 0.00 0.00 175.10 171.79 2kwb n ASP 24 N 2.84 -5.57 -1.14 3.54 2.03 -1.26 -1.41 116.55 115.57 2kwb n ASP 24 Ca -0.11 0.21 -0.15 0.00 0.52 0.00 0.00 54.79 55.26 2kwb n ASP 24 Cb 0.52 -3.95 -0.06 0.00 -0.72 0.00 0.00 41.12 36.91 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 -1.04 -5.13 -0.04 1.67 2.03 -1.26 -4.84 116.55 107.93 2kwb n ASP 25 Ca -0.09 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.50 2kwb n ASP 25 Cb 0.56 -3.95 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 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 -1.70 0.64 -4.11 -2.67 7.94 -0.50 -4.90 117.00 111.70 2kwb n LEU 26 Ca -0.15 0.11 -0.15 0.00 -1.11 0.00 0.00 56.01 54.71 2kwb n LEU 26 Cb 0.55 -0.27 -0.12 0.00 0.53 0.00 0.00 43.42 44.11 2kwb n LEU 26 CO 0.23 0.18 -0.43 0.68 -1.11 0.00 0.00 177.39 176.94 2kwb s VAL 27 N -2.17 0.81 -0.15 1.96 -7.23 -1.07 -0.60 120.40 111.95 2kwb s VAL 27 Ca -0.12 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 2kwb s VAL 27 Cb 0.05 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 2kwb s VAL 27 CO 0.16 -0.32 0.77 -0.31 -0.31 0.00 0.00 175.10 175.09 2kwb s TYR 28 N -1.36 3.46 -0.22 2.82 2.02 0.10 -0.63 117.35 123.54 2kwb s TYR 28 Ca -0.06 1.20 -0.11 0.00 -0.37 0.00 0.00 57.07 57.73 2kwb s TYR 28 Cb -0.10 -2.93 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 2kwb s TYR 28 CO 0.01 -0.14 0.18 -2.00 -1.57 0.00 0.00 175.55 172.03 2kwb s GLU 29 N 1.75 4.14 -0.02 -0.62 2.12 0.95 -2.28 118.70 124.73 2kwb s GLU 29 Ca 0.37 -0.19 0.08 0.00 0.36 0.00 0.00 54.97 55.59 2kwb s GLU 29 Cb -0.17 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 2kwb s GLU 29 CO 0.14 0.15 -0.25 0.12 -0.54 0.00 0.00 175.26 174.88 2kwb s PHE 30 N 0.78 2.36 -0.15 5.30 5.36 0.12 -0.80 117.98 130.95 2kwb s PHE 30 Ca 0.09 -0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 55.42 2kwb s PHE 30 Cb -0.13 -1.51 -0.03 0.00 -0.34 0.00 0.00 43.02 41.00 2kwb s PHE 30 CO 0.02 -0.04 0.57 -1.59 -1.46 0.00 0.00 175.22 172.73 2kwb s LYS 31 N -0.58 4.29 0.45 10.12 -2.85 -1.26 -1.84 119.74 128.07 2kwb s LYS 31 Ca 0.09 0.58 0.05 0.00 -1.00 0.00 0.00 55.97 55.68 2kwb s LYS 31 Cb -0.10 -3.51 -0.05 0.00 -2.06 0.00 0.00 37.83 32.11 2kwb s LYS 31 CO -0.01 -0.04 0.05 0.20 0.10 0.00 0.00 175.35 175.65 2kwb s GLY 32 N 0.94 2.67 0.08 0.59 0.00 -0.77 -4.85 107.32 105.99 2kwb s GLY 32 Ca 0.29 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.53 2kwb s GLY 32 CO 0.12 -2.11 -0.10 0.54 0.00 0.00 0.00 173.10 171.55 2kwb s LYS 33 N -3.83 0.79 -0.50 2.90 1.02 -1.26 -4.33 119.74 114.53 2kwb s LYS 33 Ca 0.25 -1.07 -0.21 0.00 0.02 0.00 0.00 55.97 54.96 2kwb s LYS 33 Cb 0.06 -0.52 0.04 0.00 -0.52 0.00 0.00 37.83 36.89 2kwb s LYS 33 CO 0.13 0.09 0.72 -3.38 -0.92 0.00 0.00 175.35 171.98 2kwb s HIS 34 N -2.16 2.99 0.19 3.18 -3.43 -1.26 -0.49 115.29 114.31 2kwb s HIS 34 Ca 0.02 -0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.05 2kwb s HIS 34 Cb -0.05 -3.62 -0.05 0.00 -1.43 0.00 0.00 32.58 27.43 2kwb s HIS 34 CO 0.00 -1.06 0.03 0.14 -2.00 0.00 0.00 174.74 171.85 2kwb s VAL 35 N 3.04 0.60 0.06 -5.38 -7.23 -0.81 -4.84 120.40 105.84 2kwb s VAL 35 Ca 0.22 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.48 2kwb s VAL 35 Cb -0.16 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2kwb s VAL 35 CO 0.16 -0.36 -0.17 0.68 -0.31 0.00 0.00 175.10 175.10 2kwb s VAL 36 N -3.72 2.85 -0.30 1.32 -7.23 -1.26 -2.46 120.40 109.61 2kwb s VAL 36 Ca 0.27 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2kwb s VAL 36 Cb 0.07 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.86 2kwb s VAL 36 CO 0.06 0.27 0.05 -0.13 -0.31 0.00 0.00 175.10 175.04 2kwb s ARG 37 N -1.65 1.13 -0.01 4.82 1.81 -0.90 -4.83 118.95 119.33 2kwb s ARG 37 Ca 0.16 -1.25 0.01 0.00 -1.72 0.00 0.00 55.73 52.93 2kwb s ARG 37 Cb -0.11 -2.48 0.01 0.00 -0.45 0.00 0.00 34.95 31.93 2kwb s ARG 37 CO 0.07 -0.87 -0.02 0.21 -0.68 0.00 0.00 175.30 174.01 2kwb s LYS 38 N 1.38 0.31 0.60 3.54 2.20 -1.19 0.10 119.74 126.68 2kwb s LYS 38 Ca 0.06 -0.06 0.30 0.00 -0.36 0.00 0.00 55.97 55.90 2kwb s LYS 38 Cb -0.18 -0.35 1.65 0.00 -1.51 0.00 0.00 37.83 37.44 2kwb s LYS 38 CO -0.15 0.01 2.05 1.05 -0.36 0.00 0.00 175.35 177.95 2kwb h GLU 39 N 6.46 0.00 -0.31 4.03 9.09 -1.99 -1.94 114.58 129.91 2kwb h GLU 39 Ca -0.32 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.84 2kwb h GLU 39 Cb 1.18 0.00 -0.30 0.00 -1.65 0.00 0.00 28.75 27.97 2kwb h GLU 39 CO 0.50 0.00 -0.86 0.41 0.05 0.00 0.00 179.01 179.11 2kwb n GLY 40 N -1.39 3.76 3.63 1.06 0.00 -1.26 -5.06 105.19 105.93 2kwb n GLY 40 Ca 0.02 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.76 0.67 -0.42 1.61 2.12 -0.73 -5.10 118.70 114.09 2kwb s GLU 41 Ca 0.38 0.81 0.04 0.00 0.36 0.00 0.00 54.97 56.57 2kwb s GLU 41 Cb 0.37 0.32 0.17 0.00 0.26 0.00 0.00 34.13 35.25 2kwb s GLU 41 CO -0.05 -0.08 0.41 -1.50 -0.54 0.00 0.00 175.26 173.50 2kwb s ILE 42 N 0.36 -0.09 -0.31 -3.70 1.10 -1.26 -3.15 121.20 114.15 2kwb s ILE 42 Ca 0.01 -1.91 0.01 0.00 -0.51 0.00 0.00 60.65 58.25 2kwb s ILE 42 Cb -0.05 -0.87 0.10 0.00 0.15 0.00 0.00 42.46 41.79 2kwb s ILE 42 CO -0.03 -0.84 0.07 -0.69 -2.11 0.00 0.00 174.94 171.34 2kwb s VAL 43 N 0.58 1.36 -0.95 4.00 1.01 -1.26 -4.96 120.40 120.18 2kwb s VAL 43 Ca 0.28 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.66 2kwb s VAL 43 Cb -0.03 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.47 2kwb s VAL 43 CO -0.12 -0.61 0.88 0.00 0.00 0.00 0.00 175.10 175.26 2kwb n LEU 44 N 4.65 1.97 0.26 3.92 -0.00 -1.26 -4.60 117.00 121.94 2kwb n LEU 44 Ca -0.01 -1.27 0.17 0.00 -0.00 0.00 0.00 56.01 54.90 2kwb n LEU 44 Cb 0.42 -0.05 0.69 0.00 -0.00 0.00 0.00 43.42 44.48 2kwb n LEU 44 CO 0.15 0.43 0.99 0.00 -0.00 0.00 0.00 177.39 178.96 2kwb h ALA 45 N 1.61 1.00 -0.19 1.47 0.00 -1.93 -3.44 119.26 117.79 2kwb h ALA 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2kwb h ALA 45 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2kwb h ALA 45 CO 0.00 0.00 0.66 0.41 0.00 0.00 0.00 179.25 180.32 2kwb n GLY 46 N -0.04 -0.28 3.33 0.00 0.00 -1.26 -4.84 105.19 102.09 2kwb n GLY 46 Ca 0.01 0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2kwb n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwb n SER 47 N 14.14 5.44 0.03 1.61 3.41 -1.26 -4.36 113.62 132.63 2kwb n SER 47 Ca 0.49 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2kwb n SER 47 Cb 0.36 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 2kwb n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kwb n ASN 48 N 3.88 -0.62 -4.61 4.04 5.15 -1.26 -5.11 115.26 116.72 2kwb n ASN 48 Ca 0.31 0.25 -0.43 0.00 -0.60 0.00 0.00 54.58 54.11 2kwb n ASN 48 Cb 0.40 0.81 -0.03 0.00 -0.53 0.00 0.00 39.78 40.42 2kwb n ASN 48 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2kwb s PRO 49 N -2.00 3.88 1.00 1.20 0.04 -1.26 -5.05 135.00 132.81 2kwb s PRO 49 Ca 0.00 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 2kwb s PRO 49 Cb 0.00 -3.79 0.24 0.00 0.04 0.00 0.00 34.50 30.99 2kwb s PRO 49 CO 0.00 -0.95 1.03 -1.13 0.04 0.00 0.00 177.00 175.99 2kwb n SER 50 N 6.82 -1.25 0.09 6.66 3.41 -1.26 -5.06 113.62 123.03 2kwb n SER 50 Ca 0.08 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2kwb n SER 50 Cb 0.48 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 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 -4.33 3.00 0.00 7.33 0.00 -1.26 -5.02 120.51 120.22 2kwb n ALA 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kwb n ALA 51 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2kwb n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 52 N -3.27 0.00 -4.50 0.00 4.71 -1.26 -4.76 120.64 111.56 2kwb n GLU 52 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.91 2kwb n GLU 52 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 2kwb n GLU 52 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2kwb s GLU 53 N 0.00 1.72 0.00 3.49 -1.05 -1.26 -4.57 118.70 117.03 2kwb s GLU 53 Ca 0.00 -1.90 0.00 0.00 -0.15 0.00 0.00 54.97 52.92 2kwb s GLU 53 Cb 0.00 -1.40 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 2kwb s GLU 53 CO 0.00 0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.66 2kwb n GLY 54 N -0.73 -0.38 0.00 -3.83 0.00 -1.26 -5.05 105.19 93.93 2kwb n GLY 54 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 55 N -3.00 0.00 0.00 4.61 0.00 -1.26 -4.90 120.51 115.96 2kwb n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kwb n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kwb n ALA 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 56 N 0.00 0.00 -1.92 0.00 4.71 -1.26 -5.10 120.64 117.07 2kwb n GLU 56 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 2kwb n GLU 56 Cb 0.00 -0.75 0.03 0.00 -1.01 0.00 0.00 31.44 29.72 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2kwb s ASP 57 N -3.67 5.28 0.00 1.62 1.01 -1.26 -4.90 116.67 114.75 2kwb s ASP 57 Ca 0.00 2.09 -0.03 0.00 0.71 0.00 0.00 52.55 55.32 2kwb s ASP 57 Cb 0.00 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 2kwb s ASP 57 CO 0.00 -1.52 2.51 0.47 0.21 0.00 0.00 175.17 176.84 2kwb n ASP 58 N -2.03 4.56 0.24 0.27 9.92 -1.26 -4.62 116.55 123.62 2kwb n ASP 58 Ca 0.11 -2.28 0.16 0.00 -0.53 0.00 0.00 54.79 52.25 2kwb n ASP 58 Cb 0.51 -1.11 0.85 0.00 -0.64 0.00 0.00 41.12 40.74 2kwb n ASP 58 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2kwb h GLY 59 N 4.20 0.00 -1.28 0.44 0.00 -1.90 -3.48 103.07 101.04 2kwb h GLY 59 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.45 2kwb h GLY 59 CO 0.14 0.00 -0.36 -1.14 0.00 0.00 0.00 176.54 175.18 2kwb n SER 60 N -2.61 -2.90 -0.35 0.19 3.41 -1.26 -3.75 113.62 106.35 2kwb n SER 60 Ca -0.02 0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 59.12 2kwb n SER 60 Cb 0.07 -1.27 -0.08 0.00 -0.26 0.00 0.00 64.21 62.67 2kwb n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kwb n ASP 61 N -2.11 -0.87 0.06 4.04 9.92 -1.26 -0.90 116.55 125.43 2kwb n ASP 61 Ca -0.01 1.57 0.13 0.00 -0.53 0.00 0.00 54.79 55.95 2kwb n ASP 61 Cb 0.19 -0.24 0.39 0.00 -0.64 0.00 0.00 41.12 40.82 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2kwb n GLU 62 N -4.91 0.18 -0.57 -1.24 0.28 -1.26 -4.01 120.64 109.10 2kwb n GLU 62 Ca 0.02 0.11 0.03 0.00 -0.16 0.00 0.00 57.16 57.16 2kwb n GLU 62 Cb 0.21 -1.67 0.20 0.00 1.43 0.00 0.00 31.44 31.61 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 -1.96 0.59 -2.64 -1.84 -0.00 -0.08 -4.90 115.22 104.39 2kwb n HIS 63 Ca 0.05 -1.37 -0.42 0.00 -0.00 0.00 0.00 57.72 55.99 2kwb n HIS 63 Cb 0.40 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 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 -3.12 3.92 0.14 3.57 1.01 -0.94 -4.55 120.40 120.43 2kwb s VAL 64 Ca 0.40 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.55 2kwb s VAL 64 Cb 0.37 -4.86 0.14 0.00 0.00 0.00 0.00 36.38 32.03 2kwb s VAL 64 CO -0.00 -1.75 0.63 -1.84 0.00 0.00 0.00 175.10 172.14 2kwb n GLU 65 N 8.83 -0.02 -3.93 2.72 0.28 0.28 -2.61 120.64 126.19 2kwb n GLU 65 Ca 0.03 0.55 -0.30 0.00 -0.16 0.00 0.00 57.16 57.28 2kwb n GLU 65 Cb 0.48 -0.98 -0.16 0.00 1.43 0.00 0.00 31.44 32.21 2kwb n GLU 65 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2kwb s ARG 66 N -4.68 1.56 0.00 3.44 0.52 -1.26 -2.11 118.95 116.41 2kwb s ARG 66 Ca -0.04 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 2kwb s ARG 66 Cb 0.13 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 33.04 2kwb s ARG 66 CO 0.31 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.44 2kwb n GLY 67 N 4.69 1.43 3.58 -3.53 0.00 -1.03 -4.34 105.19 106.00 2kwb n GLY 67 Ca -0.12 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.48 3.54 0.34 -0.61 -4.36 -1.26 -1.93 121.20 114.44 2kwb s ILE 68 Ca 0.00 -0.91 0.13 0.00 -0.26 0.00 0.00 60.65 59.62 2kwb s ILE 68 Cb 0.00 -2.56 0.33 0.00 1.25 0.00 0.00 42.46 41.47 2kwb s ILE 68 CO 0.00 0.33 1.69 -0.78 0.24 0.00 0.00 174.94 176.42 2kwb h ASP 69 N 4.31 0.57 -0.31 4.36 1.82 -1.10 -1.49 116.42 124.58 2kwb h ASP 69 Ca -0.48 0.17 0.06 0.00 -0.39 0.00 0.00 57.03 56.39 2kwb h ASP 69 Cb 1.17 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 41.21 2kwb h ASP 69 CO 0.53 -0.04 -0.07 0.40 -1.61 0.00 0.00 179.24 178.45 2kwb h ILE 70 N 0.42 0.69 0.15 2.25 2.04 -1.89 -2.63 117.51 118.55 2kwb h ILE 70 Ca 0.70 -0.00 -0.35 0.00 1.00 0.00 0.00 64.86 66.21 2kwb h ILE 70 Cb 1.53 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2kwb h ILE 70 CO -0.55 0.00 -1.85 -0.37 0.00 0.00 0.00 178.15 175.39 2kwb h VAL 71 N 0.00 0.80 -0.59 1.67 -1.51 -1.64 -3.13 116.25 111.87 2kwb h VAL 71 Ca 0.15 -2.46 -0.06 0.00 -1.23 0.00 0.00 66.70 63.09 2kwb h VAL 71 Cb 0.23 2.64 -0.03 0.00 -2.13 0.00 0.00 31.29 32.00 2kwb h VAL 71 CO -0.32 0.86 0.11 -0.07 -1.23 0.00 0.00 177.57 176.93 2kwb h LEU 72 N 0.09 0.88 0.00 4.19 3.38 -1.44 0.30 115.31 122.71 2kwb h LEU 72 Ca -0.37 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kwb h LEU 72 Cb 2.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2kwb h LEU 72 CO 0.13 0.88 -0.34 0.78 0.09 0.00 0.00 178.44 179.98 2kwb h ASN 73 N 0.89 0.00 -0.18 -0.43 2.35 -1.62 -3.27 115.58 113.31 2kwb h ASN 73 Ca 0.19 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2kwb h ASN 73 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2kwb h ASN 73 CO 0.01 0.05 0.00 1.57 -1.65 0.00 0.00 177.43 177.41 2kwb n HIS 74 N -2.22 0.23 -3.11 1.19 -0.00 -0.96 -5.03 115.22 105.32 2kwb n HIS 74 Ca 0.04 -0.21 -0.03 0.00 0.46 0.00 0.00 57.72 57.98 2kwb n HIS 74 Cb 0.44 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kwb n LYS 75 N 0.72 -1.46 -4.26 1.57 5.02 0.89 -4.81 118.16 115.83 2kwb n LYS 75 Ca 0.10 1.50 -0.27 0.00 -2.02 0.00 0.00 58.31 57.62 2kwb n LYS 75 Cb 0.38 -5.41 -0.17 0.00 -0.02 0.00 0.00 35.03 29.81 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwb s LEU 76 N -3.93 1.54 0.20 -0.35 1.43 -0.31 -2.07 118.68 115.19 2kwb s LEU 76 Ca 0.03 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2kwb s LEU 76 Cb -0.01 -0.97 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 2kwb s LEU 76 CO 0.77 -0.03 0.54 0.54 0.23 0.00 0.00 176.35 178.40 2kwb s VAL 77 N 1.19 4.93 0.05 -1.59 0.11 -0.89 -4.67 120.40 119.53 2kwb s VAL 77 Ca -0.03 0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 2kwb s VAL 77 Cb -0.14 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 2kwb s VAL 77 CO -0.04 0.03 1.10 -0.70 -3.33 0.00 0.00 175.10 172.16 2kwb s GLU 78 N -2.56 4.50 -0.17 1.54 2.12 -1.26 -2.02 118.70 120.85 2kwb s GLU 78 Ca 0.44 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2kwb s GLU 78 Cb -0.12 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2kwb s GLU 78 CO 0.21 -0.13 -0.16 1.41 -0.54 0.00 0.00 175.26 176.05 2kwb s MET 79 N 0.84 3.15 0.18 4.30 -2.45 0.14 -4.96 119.30 120.49 2kwb s MET 79 Ca 0.55 -0.77 -0.27 0.00 -1.25 0.00 0.00 55.69 53.95 2kwb s MET 79 Cb -0.26 -2.65 -0.08 0.00 1.25 0.00 0.00 34.83 33.09 2kwb s MET 79 CO 0.29 -0.09 0.83 -0.80 1.05 0.00 0.00 175.02 176.30 2kwb s ASN 80 N 1.08 7.46 0.29 1.11 -0.87 -1.26 -2.35 114.94 120.39 2kwb s ASN 80 Ca -0.00 1.73 0.04 0.00 -1.57 0.00 0.00 52.86 53.05 2kwb s ASN 80 Cb -0.14 -2.53 0.67 0.00 -0.02 0.00 0.00 41.25 39.22 2kwb s ASN 80 CO -0.05 0.18 1.80 0.00 -2.57 0.00 0.00 177.10 176.46 2kwb h TYR 82 N 0.85 0.34 0.02 0.00 -0.00 -1.97 -1.22 116.97 114.99 2kwb h TYR 82 Ca 0.55 0.01 -0.37 0.00 -0.00 0.00 0.00 58.73 58.92 2kwb h TYR 82 Cb 0.75 -0.11 -0.06 0.00 -0.00 0.00 0.00 36.73 37.31 2kwb h TYR 82 CO -0.01 0.17 -2.30 -1.91 -0.00 0.00 0.00 178.16 174.11 2kwb n GLU 83 N -4.47 0.68 0.04 0.10 2.13 -0.70 -4.28 120.64 114.15 2kwb n GLU 83 Ca 0.07 0.14 0.07 0.00 0.66 0.00 0.00 57.16 58.10 2kwb n GLU 83 Cb 0.31 -1.58 0.31 0.00 0.27 0.00 0.00 31.44 30.75 2kwb n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kwb n ASP 84 N -3.14 0.19 -0.32 4.31 2.03 -0.30 -3.78 116.55 115.53 2kwb n ASP 84 Ca -0.37 0.56 -0.02 0.00 0.52 0.00 0.00 54.79 55.48 2kwb n ASP 84 Cb 1.05 -0.60 0.02 0.00 -0.72 0.00 0.00 41.12 40.87 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kwb n ALA 85 N -1.58 -0.16 -0.04 -1.67 0.00 -0.49 0.58 120.51 117.15 2kwb n ALA 85 Ca 0.02 0.82 -0.06 0.00 0.00 0.00 0.00 53.44 54.22 2kwb n ALA 85 Cb 0.13 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 19.38 2kwb n ALA 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kwb h SER 86 N 0.00 0.65 0.58 0.00 0.87 -1.89 -2.64 113.55 111.11 2kwb h SER 86 Ca 0.27 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2kwb h SER 86 Cb 0.48 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kwb h SER 86 CO -0.82 0.88 -0.28 -0.03 -0.53 0.00 0.00 176.83 176.05 2kwb h MET 87 N 0.55 -0.75 -0.45 2.24 -1.53 -0.10 -0.63 114.93 114.26 2kwb h MET 87 Ca 0.08 0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.36 2kwb h MET 87 Cb 0.73 0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.93 2kwb h MET 87 CO 0.06 -0.50 0.17 0.27 0.14 0.00 0.00 176.91 177.04 2kwb h PHE 88 N -1.15 0.64 -0.86 1.39 -5.15 -1.30 -0.46 116.94 110.05 2kwb h PHE 88 Ca -0.08 -0.03 -0.02 0.00 -0.20 0.00 0.00 57.97 57.65 2kwb h PHE 88 Cb 0.60 -0.20 -0.04 0.00 0.22 0.00 0.00 35.95 36.53 2kwb h PHE 88 CO 0.01 0.51 0.47 -0.22 -2.00 0.00 0.00 178.31 177.08 2kwb h LYS 89 N 0.64 1.19 -0.30 6.09 1.63 -1.47 0.11 116.57 124.46 2kwb h LYS 89 Ca 0.15 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 59.71 2kwb h LYS 89 Cb 0.15 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2kwb h LYS 89 CO -0.01 0.87 -0.25 0.00 -3.45 0.00 0.00 179.45 176.60 2kwb h ALA 90 N 1.32 0.44 -0.47 5.00 0.00 -0.39 -2.01 119.26 123.15 2kwb h ALA 90 Ca 0.30 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kwb h ALA 90 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kwb h ALA 90 CO -0.05 0.42 0.26 1.88 0.00 0.00 0.00 179.25 181.76 2kwb h TYR 91 N 0.45 0.65 -0.52 0.00 0.05 -0.79 -1.99 116.97 114.83 2kwb h TYR 91 Ca 0.05 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2kwb h TYR 91 Cb 0.81 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.32 2kwb h TYR 91 CO 0.07 0.49 0.22 0.82 -1.05 0.00 0.00 178.16 178.71 2kwb h ILE 92 N 0.62 1.18 0.74 -2.88 1.08 -0.77 0.32 117.51 117.81 2kwb h ILE 92 Ca 0.17 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 2kwb h ILE 92 Cb 0.06 0.55 0.01 0.00 -3.07 0.00 0.00 36.82 34.36 2kwb h ILE 92 CO -0.03 0.22 -0.36 0.50 -0.69 0.00 0.00 178.15 177.80 2kwb h LYS 93 N 0.73 -0.96 -0.46 2.37 1.63 -1.00 0.18 116.57 119.06 2kwb h LYS 93 Ca 0.18 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 60.06 2kwb h LYS 93 Cb 0.12 0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 2kwb h LYS 93 CO -0.02 -0.64 0.29 0.87 -3.45 0.00 0.00 179.45 176.50 2kwb h LYS 94 N -1.00 0.58 0.50 1.90 1.57 -1.22 -2.75 116.57 116.15 2kwb h LYS 94 Ca -0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2kwb h LYS 94 Cb 0.76 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2kwb h LYS 94 CO 0.17 0.38 -0.43 0.35 -0.57 0.00 0.00 179.45 179.35 2kwb h PHE 95 N 0.59 -1.19 -0.73 -1.35 3.57 -0.30 0.29 116.94 117.83 2kwb h PHE 95 Ca 0.17 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.77 2kwb h PHE 95 Cb -0.04 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 2kwb h PHE 95 CO -0.05 -0.59 0.37 1.98 -2.23 0.00 0.00 178.31 177.78 2kwb h MET 96 N -0.91 0.60 -0.20 1.11 4.05 -0.98 0.18 114.93 118.78 2kwb h MET 96 Ca -0.06 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2kwb h MET 96 Cb 0.77 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2kwb h MET 96 CO -0.02 0.40 0.11 -0.22 0.23 0.00 0.00 176.91 177.41 2kwb h LYS 97 N 0.62 0.28 -0.20 0.39 3.64 -1.38 -2.79 116.57 117.14 2kwb h LYS 97 Ca 0.36 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2kwb h LYS 97 Cb 0.38 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2kwb h LYS 97 CO -0.27 0.26 -0.29 -0.97 -2.27 0.00 0.00 179.45 175.92 2kwb h ASN 98 N 0.21 0.59 -0.19 4.20 -0.73 -0.01 -2.25 115.58 117.41 2kwb h ASN 98 Ca 0.07 -0.52 -0.02 0.00 1.87 0.00 0.00 56.30 57.70 2kwb h ASN 98 Cb 0.07 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2kwb h ASN 98 CO -0.01 0.99 0.04 -0.37 -0.37 0.00 0.00 177.43 177.71 2kwb h VAL 99 N 0.20 1.22 -0.35 2.57 -1.51 -0.73 0.48 116.25 118.14 2kwb h VAL 99 Ca 0.02 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.75 2kwb h VAL 99 Cb 0.86 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 2kwb h VAL 99 CO 0.07 0.22 0.13 0.40 -1.23 0.00 0.00 177.57 177.16 2kwb h ILE 100 N 0.12 1.19 0.05 7.19 1.08 -1.59 -1.22 117.51 124.33 2kwb h ILE 100 Ca 0.06 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 63.96 2kwb h ILE 100 Cb 0.30 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2kwb h ILE 100 CO 0.00 0.21 -0.32 -0.78 -0.69 0.00 0.00 178.15 176.57 2kwb h ASP 101 N 0.41 -0.94 0.41 1.72 3.58 -1.24 -0.11 116.42 120.25 2kwb h ASP 101 Ca 0.12 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 2kwb h ASP 101 Cb 0.20 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2kwb h ASP 101 CO -0.01 -0.39 -0.25 1.12 -2.88 0.00 0.00 179.24 176.83 2kwb h HIS 102 N -0.50 0.00 0.02 0.28 2.07 -0.86 -1.51 115.15 114.65 2kwb h HIS 102 Ca 0.05 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.57 2kwb h HIS 102 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 2kwb h HIS 102 CO -0.32 0.25 -0.01 1.98 -3.07 0.00 0.00 177.93 176.76 2kwb h MET 103 N 0.00 -0.03 0.00 5.12 1.85 -0.63 -3.17 114.93 118.07 2kwb h MET 103 Ca -0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 2kwb h MET 103 Cb 0.52 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 2kwb h MET 103 CO 0.03 0.62 -0.18 1.05 -0.40 0.00 0.00 176.91 178.03 2kwb h GLU 104 N -0.72 0.00 -0.96 0.39 4.11 -1.00 -0.29 114.58 116.10 2kwb h GLU 104 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.52 2kwb h GLU 104 Cb 0.66 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 2kwb h GLU 104 CO 0.01 0.18 0.62 0.87 0.07 0.00 0.00 179.01 180.75 2kwb h LYS 105 N 0.00 0.99 0.00 1.06 1.57 -1.26 -2.45 116.57 116.49 2kwb h LYS 105 Ca -0.00 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 2kwb h LYS 105 Cb 0.46 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2kwb h LYS 105 CO 0.02 0.66 -2.19 0.27 -0.57 0.00 0.00 179.45 177.64 2kwb n ASN 106 N -4.54 2.06 -0.09 0.86 0.23 -0.94 -4.76 115.26 108.09 2kwb n ASN 106 Ca 0.16 -0.09 -0.14 0.00 -0.53 0.00 0.00 54.58 53.98 2kwb n ASN 106 Cb 0.27 -0.07 -0.14 0.00 -2.08 0.00 0.00 39.78 37.76 2kwb n ASN 106 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kwb n ASN 107 N -3.01 1.15 0.00 0.53 5.15 -0.16 -4.97 115.26 113.95 2kwb n ASN 107 Ca -0.35 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 2kwb n ASN 107 Cb 0.93 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 2kwb n ASN 107 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2kwb n ARG 108 N -3.08 0.00 -1.91 1.20 0.63 -0.92 -4.91 116.66 107.66 2kwb n ARG 108 Ca -0.36 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.15 2kwb n ARG 108 Cb 1.07 -0.48 -0.03 0.00 0.45 0.00 0.00 32.46 33.47 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kwb s ASP 109 N 0.00 6.15 0.59 6.15 1.01 -1.26 -4.86 116.67 124.45 2kwb s ASP 109 Ca 0.00 1.85 0.31 0.00 0.71 0.00 0.00 52.55 55.42 2kwb s ASP 109 Cb 0.00 -2.53 1.86 0.00 1.01 0.00 0.00 42.92 43.26 2kwb s ASP 109 CO 0.00 -1.41 2.25 0.07 0.21 0.00 0.00 175.17 176.28 2kwb h LYS 110 N 11.84 0.00 0.00 8.23 2.10 -1.99 -1.13 116.57 135.62 2kwb h LYS 110 Ca -0.38 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.08 2kwb h LYS 110 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2kwb h LYS 110 CO 0.98 0.02 -0.87 0.00 -2.00 0.00 0.00 179.45 177.58 2kwb h ALA 111 N 1.98 0.54 0.00 0.07 0.00 -2.00 -3.04 119.26 116.83 2kwb h ALA 111 Ca -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 2kwb h ALA 111 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kwb h ALA 111 CO 0.00 0.94 -0.31 0.22 0.00 0.00 0.00 179.25 180.10 2kwb h ASP 112 N 0.08 0.00 -0.08 0.00 3.58 -1.64 -3.07 116.42 115.30 2kwb h ASP 112 Ca -0.04 -0.75 -0.01 0.00 0.42 0.00 0.00 57.03 56.65 2kwb h ASP 112 Cb 1.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 2kwb h ASP 112 CO 0.13 1.06 0.04 -0.37 -2.88 0.00 0.00 179.24 177.22 2kwb h VAL 113 N -1.00 1.05 -0.45 2.25 -1.51 -1.48 0.84 116.25 115.95 2kwb h VAL 113 Ca -0.08 -0.16 -0.12 0.00 -1.23 0.00 0.00 66.70 65.11 2kwb h VAL 113 Cb 0.96 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2kwb h VAL 113 CO -0.05 0.06 -0.21 -0.78 -1.23 0.00 0.00 177.57 175.36 2kwb h ASP 114 N 0.15 0.93 -0.17 4.19 3.58 -1.66 0.17 116.42 123.60 2kwb h ASP 114 Ca 0.04 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.13 2kwb h ASP 114 Cb 0.04 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2kwb h ASP 114 CO -0.00 1.11 0.05 0.00 -2.88 0.00 0.00 179.24 177.51 2kwb h ALA 115 N 0.96 0.23 -0.22 -0.78 0.00 -1.03 -1.19 119.26 117.23 2kwb h ALA 115 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kwb h ALA 115 Cb 0.77 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2kwb h ALA 115 CO 0.06 -0.13 0.01 0.35 0.00 0.00 0.00 179.25 179.54 2kwb h PHE 116 N 0.09 0.01 -0.46 0.00 3.57 -0.86 -1.83 116.94 117.47 2kwb h PHE 116 Ca 0.06 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.64 2kwb h PHE 116 Cb 0.26 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2kwb h PHE 116 CO 0.01 -0.02 0.31 -0.22 -2.23 0.00 0.00 178.31 176.16 2kwb h LYS 117 N 0.09 0.33 -0.59 1.11 3.64 -0.86 -0.95 116.57 119.34 2kwb h LYS 117 Ca 0.10 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 2kwb h LYS 117 Cb 0.12 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2kwb h LYS 117 CO -0.16 0.22 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.97 2kwb h LYS 118 N 0.34 1.07 0.27 1.90 1.63 -0.45 0.78 116.57 122.11 2kwb h LYS 118 Ca 0.20 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2kwb h LYS 118 Cb 0.37 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 2kwb h LYS 118 CO -0.05 1.07 -0.45 0.87 -3.45 0.00 0.00 179.45 177.44 2kwb h LYS 119 N 0.97 -0.76 -0.13 1.90 1.57 -0.40 -1.13 116.57 118.58 2kwb h LYS 119 Ca 0.16 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2kwb h LYS 119 Cb 0.62 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2kwb h LYS 119 CO 0.04 -0.51 -0.34 0.97 -0.57 0.00 0.00 179.45 179.04 2kwb h ILE 120 N -0.79 1.28 0.16 1.86 6.09 -1.46 -2.43 117.51 122.22 2kwb h ILE 120 Ca -0.01 -1.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 2kwb h ILE 120 Cb 0.75 1.56 -0.01 0.00 0.47 0.00 0.00 36.82 39.59 2kwb h ILE 120 CO -0.17 0.41 -0.13 -0.61 -3.07 0.00 0.00 178.15 174.57 2kwb h GLN 121 N 0.22 -0.30 -0.73 2.19 -0.00 -0.61 -0.11 115.11 115.78 2kwb h GLN 121 Ca 0.03 0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.72 2kwb h GLN 121 Cb 0.71 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 28.21 2kwb h GLN 121 CO 0.05 -0.20 0.47 0.78 0.00 0.00 0.00 178.83 179.93 2kwb h GLY 122 N -0.31 1.05 0.89 2.39 0.00 -1.10 -1.13 103.07 104.87 2kwb h GLY 122 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2kwb h GLY 122 CO -0.02 0.31 -0.26 -0.25 0.00 0.00 0.00 176.54 176.32 2kwb h TRP 123 N 0.92 -0.69 -0.11 5.60 7.01 -1.14 -1.97 115.95 125.57 2kwb h TRP 123 Ca 0.29 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 2kwb h TRP 123 Cb -0.01 0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2kwb h TRP 123 CO -0.03 -0.41 0.02 -0.39 -2.79 0.00 0.00 178.44 174.84 2kwb h VAL 124 N -0.66 1.22 -0.91 2.65 -1.51 -0.94 0.83 116.25 116.94 2kwb h VAL 124 Ca -0.05 -0.69 0.05 0.00 -1.23 0.00 0.00 66.70 64.78 2kwb h VAL 124 Cb 0.54 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 31.11 2kwb h VAL 124 CO 0.05 0.20 0.58 0.58 -1.23 0.00 0.00 177.57 177.75 2kwb h VAL 125 N -0.05 1.11 -0.07 7.19 2.07 -1.23 0.22 116.25 125.49 2kwb h VAL 125 Ca 0.03 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2kwb h VAL 125 Cb 0.29 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2kwb h VAL 125 CO 0.00 0.20 -0.09 -1.28 0.02 0.00 0.00 177.57 176.42 2kwb h SER 126 N 1.09 0.20 -0.31 0.57 0.87 -1.31 -3.19 113.55 111.47 2kwb h SER 126 Ca 0.38 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2kwb h SER 126 Cb 0.08 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2kwb h SER 126 CO -0.14 0.68 0.16 0.25 -0.53 0.00 0.00 176.83 177.25 2kwb h LEU 127 N -0.27 0.43 -0.54 2.23 5.85 -0.29 -1.74 115.31 120.98 2kwb h LEU 127 Ca 0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kwb h LEU 127 Cb 0.63 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2kwb h LEU 127 CO 0.02 0.38 0.00 0.18 -0.34 0.00 0.00 178.44 178.69 2kwb n LEU 128 N -4.41 0.83 -4.56 2.25 4.77 0.74 -4.75 117.00 111.86 2kwb n LEU 128 Ca 0.02 -0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 2kwb n LEU 128 Cb 0.12 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2kwb n LEU 128 CO 0.36 0.16 1.24 0.00 -1.33 0.00 0.00 177.39 177.82 2kwb s ALA 129 N -1.94 0.91 0.10 -1.18 0.00 -0.66 -4.84 121.76 114.15 2kwb s ALA 129 Ca 0.36 -1.05 -0.34 0.00 0.00 0.00 0.00 51.96 50.93 2kwb s ALA 129 Cb 0.18 -4.59 -0.14 0.00 0.00 0.00 0.00 23.12 18.57 2kwb s ALA 129 CO 0.29 -5.74 1.56 -0.22 0.00 0.00 0.00 175.76 171.65 2kwb h LYS 130 N 12.21 -0.74 -0.43 0.00 3.64 -1.89 -1.47 116.57 127.89 2kwb h LYS 130 Ca 0.03 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2kwb h LYS 130 Cb 1.00 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2kwb h LYS 130 CO 1.06 -0.50 0.29 0.22 -2.27 0.00 0.00 179.45 178.25 2kwb h ASP 131 N -0.77 0.48 0.00 4.20 3.58 -1.98 1.24 116.42 123.16 2kwb h ASP 131 Ca -0.01 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 2kwb h ASP 131 Cb 0.77 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2kwb h ASP 131 CO -0.26 0.35 -0.40 -0.09 -2.88 0.00 0.00 179.24 175.95 2kwb h ARG 132 N 0.57 0.00 0.00 0.28 9.65 -1.95 -3.35 114.38 119.58 2kwb h ARG 132 Ca 0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 2kwb h ARG 132 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2kwb h ARG 132 CO -0.04 0.64 0.00 1.19 2.80 0.00 0.00 179.97 184.56 2kwb n PHE 133 N -4.60 0.00 -0.50 2.20 3.01 -0.56 -3.96 117.46 113.05 2kwb n PHE 133 Ca -0.13 0.00 0.39 0.00 1.01 0.00 0.00 57.45 58.71 2kwb n PHE 133 Cb 0.40 -0.20 0.61 0.00 -0.01 0.00 0.00 39.48 40.28 2kwb n PHE 133 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2kwb n LYS 134 N -1.20 -0.01 -1.12 -1.08 4.81 0.42 0.32 118.16 120.30 2kwb n LYS 134 Ca 0.12 0.91 -0.25 0.00 -0.87 0.00 0.00 58.31 58.23 2kwb n LYS 134 Cb 0.15 -1.98 0.11 0.00 0.02 0.00 0.00 35.03 33.32 2kwb n LYS 134 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2kwb n ASN 135 N -3.82 5.53 -4.92 3.14 6.94 -1.25 -4.94 115.26 115.93 2kwb n ASN 135 Ca 0.34 -3.47 -0.26 0.00 -0.02 0.00 0.00 54.58 51.18 2kwb n ASN 135 Cb 1.47 -0.90 0.01 0.00 -2.36 0.00 0.00 39.78 38.01 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kwb s LEU 136 N -3.01 3.58 -0.04 -4.53 1.43 0.15 -4.50 118.68 111.76 2kwb s LEU 136 Ca 0.51 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2kwb s LEU 136 Cb 0.42 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 43.10 2kwb s LEU 136 CO 0.04 -0.70 -0.09 0.00 0.23 0.00 0.00 176.35 175.83 2kwb s ALA 137 N -2.71 0.88 -0.43 4.21 0.00 -1.11 -4.71 121.76 117.89 2kwb s ALA 137 Ca 0.48 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2kwb s ALA 137 Cb -0.10 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.68 2kwb s ALA 137 CO 0.42 0.10 0.33 -0.06 0.00 0.00 0.00 175.76 176.56 2kwb s PHE 138 N 0.43 3.25 -0.23 0.00 0.08 -0.99 -1.70 117.98 118.81 2kwb s PHE 138 Ca -0.07 -0.83 -0.10 0.00 0.12 0.00 0.00 56.93 56.05 2kwb s PHE 138 Cb -0.11 -2.85 -0.05 0.00 -0.57 0.00 0.00 43.02 39.44 2kwb s PHE 138 CO 0.01 -0.70 0.13 -0.06 -0.10 0.00 0.00 175.22 174.50 2kwb s PHE 139 N 1.64 3.26 0.13 0.36 0.40 -1.01 0.25 117.98 123.00 2kwb s PHE 139 Ca 0.04 0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.53 2kwb s PHE 139 Cb -0.22 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 2kwb s PHE 139 CO 0.08 0.00 -0.01 -1.50 0.70 0.00 0.00 175.22 174.49 2kwb s ILE 140 N 1.08 3.82 0.39 0.64 2.07 -0.86 -0.74 121.20 127.59 2kwb s ILE 140 Ca 0.06 -1.21 -0.27 0.00 -1.41 0.00 0.00 60.65 57.82 2kwb s ILE 140 Cb -0.14 -2.86 -0.10 0.00 0.13 0.00 0.00 42.46 39.49 2kwb s ILE 140 CO 0.04 0.02 1.44 -0.83 -1.91 0.00 0.00 174.94 173.70 2kwb s GLY 141 N -2.57 2.95 0.22 1.50 0.00 -1.20 -2.10 107.32 106.11 2kwb s GLY 141 Ca 0.26 1.50 -0.16 0.00 0.00 0.00 0.00 44.72 46.31 2kwb s GLY 141 CO 0.18 2.16 1.58 -2.09 0.00 0.00 0.00 173.10 174.93 2kwb h GLU 142 N 2.90 -0.07 -0.44 2.90 4.81 -1.73 0.18 114.58 123.12 2kwb h GLU 142 Ca -0.51 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.82 2kwb h GLU 142 Cb 1.24 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 2kwb h GLU 142 CO 0.64 -0.05 -0.08 0.00 -0.73 0.00 0.00 179.01 178.79 2kwb h ARG 143 N -0.07 0.03 0.01 1.92 3.08 -1.91 -0.34 114.38 117.09 2kwb h ARG 143 Ca 0.31 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2kwb h ARG 143 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2kwb h ARG 143 CO -0.79 0.02 -0.00 0.00 -1.07 0.00 0.00 179.97 178.13 2kwb h ALA 144 N 1.43 -0.01 -0.90 0.04 0.00 -1.57 0.27 119.26 118.52 2kwb h ALA 144 Ca 0.22 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2kwb h ALA 144 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2kwb h ALA 144 CO -0.43 -0.39 0.56 0.00 0.00 0.00 0.00 179.25 178.99 2kwb h ALA 145 N 0.75 1.26 0.00 0.00 0.00 -0.67 1.12 119.26 121.72 2kwb h ALA 145 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2kwb h ALA 145 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kwb h ALA 145 CO 0.00 0.29 -0.67 1.49 0.00 0.00 0.00 179.25 180.36 2kwb h GLU 146 N 1.00 0.00 -0.02 0.00 4.81 -1.03 -3.32 114.58 116.03 2kwb h GLU 146 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2kwb h GLU 146 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2kwb h GLU 146 CO -0.19 0.43 -0.34 0.41 -0.73 0.00 0.00 179.01 178.59 2kwb n GLY 147 N 1.25 0.22 2.50 1.92 0.00 0.95 -4.97 105.19 107.07 2kwb n GLY 147 Ca -0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 148 N 0.27 -0.45 -3.23 4.61 0.00 0.38 -4.97 120.51 117.12 2kwb n ALA 148 Ca 0.10 0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 2kwb n ALA 148 Cb 0.47 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.84 2kwb n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 149 N -2.65 0.99 -1.81 0.00 1.02 -1.06 -5.01 120.64 112.11 2kwb n GLU 149 Ca -0.22 -1.12 -0.37 0.00 -0.02 0.00 0.00 57.16 55.43 2kwb n GLU 149 Cb 0.68 -0.01 -0.02 0.00 -0.02 0.00 0.00 31.44 32.07 2kwb n GLU 149 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kwb n ASN 150 N -2.48 7.80 -4.71 1.62 4.13 -1.26 -4.79 115.26 115.56 2kwb n ASN 150 Ca 0.03 -3.08 -0.29 0.00 1.68 0.00 0.00 54.58 52.93 2kwb n ASN 150 Cb 0.21 -1.36 0.15 0.00 -1.54 0.00 0.00 39.78 37.24 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2kwb s GLY 151 N 0.60 1.59 0.06 7.41 0.00 -1.26 -4.10 107.32 111.61 2kwb s GLY 151 Ca 0.57 -0.29 -0.31 0.00 0.00 0.00 0.00 44.72 44.69 2kwb s GLY 151 CO -0.11 0.27 1.36 1.62 0.00 0.00 0.00 173.10 176.23 2kwb s GLN 152 N -5.02 4.33 -0.52 2.90 0.74 -1.26 -4.85 119.66 115.98 2kwb s GLN 152 Ca 0.64 1.97 -0.19 0.00 0.05 0.00 0.00 55.36 57.84 2kwb s GLN 152 Cb -0.18 -3.39 0.07 0.00 1.10 0.00 0.00 33.01 30.61 2kwb s GLN 152 CO 0.57 -0.46 0.64 0.08 -0.55 0.00 0.00 175.29 175.57 2kwb s VAL 153 N 1.60 4.87 0.15 1.34 1.01 -1.26 -3.27 120.40 124.83 2kwb s VAL 153 Ca 0.63 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2kwb s VAL 153 Cb -0.33 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 2kwb s VAL 153 CO 0.29 -0.87 0.94 0.00 0.00 0.00 0.00 175.10 175.45 2kwb s ALA 154 N 2.62 3.29 -0.46 5.51 0.00 0.08 -4.88 121.76 127.91 2kwb s ALA 154 Ca 0.14 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 2kwb s ALA 154 Cb -0.20 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2kwb s ALA 154 CO 0.10 0.06 0.76 0.42 0.00 0.00 0.00 175.76 177.11 2kwb s ILE 155 N -0.40 4.67 -0.46 0.00 -1.09 -1.08 -2.40 121.20 120.44 2kwb s ILE 155 Ca 0.44 0.30 -0.19 0.00 -2.23 0.00 0.00 60.65 58.97 2kwb s ILE 155 Cb -0.24 -4.32 0.04 0.00 -1.58 0.00 0.00 42.46 36.36 2kwb s ILE 155 CO 0.30 -0.74 0.59 -0.63 -1.23 0.00 0.00 174.94 173.23 2kwb s ILE 156 N 3.22 4.90 0.06 2.92 -1.09 -0.69 -1.35 121.20 129.18 2kwb s ILE 156 Ca 0.28 -0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 2kwb s ILE 156 Cb -0.13 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2kwb s ILE 156 CO 0.21 -0.65 0.22 -0.70 -1.23 0.00 0.00 174.94 172.80 2kwb s GLU 157 N 2.59 3.46 -0.24 2.79 2.12 0.51 -2.74 118.70 127.19 2kwb s GLU 157 Ca 0.17 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 54.98 2kwb s GLU 157 Cb -0.17 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2kwb s GLU 157 CO 0.15 0.61 0.38 1.52 -0.54 0.00 0.00 175.26 177.37 2kwb s TYR 158 N -1.49 3.31 -0.23 5.30 1.13 -1.26 -0.82 117.35 123.28 2kwb s TYR 158 Ca 0.34 0.50 -0.14 0.00 -1.41 0.00 0.00 57.07 56.36 2kwb s TYR 158 Cb -0.13 -2.53 0.07 0.00 -1.10 0.00 0.00 41.96 38.27 2kwb s TYR 158 CO 0.26 -0.11 0.57 0.50 -2.51 0.00 0.00 175.55 174.26 2kwb s ARG 159 N 1.66 0.59 -0.03 -3.49 3.52 -1.03 -4.95 118.95 115.21 2kwb s ARG 159 Ca 0.17 1.02 -0.02 0.00 -0.13 0.00 0.00 55.73 56.76 2kwb s ARG 159 Cb -0.15 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2kwb s ARG 159 CO 0.09 -0.15 0.09 0.16 -0.81 0.00 0.00 175.30 174.68 2kwb s ASP 160 N 1.41 5.81 -0.51 -2.12 -4.77 -1.26 -1.52 116.67 113.70 2kwb s ASP 160 Ca -0.09 0.22 -0.14 0.00 -3.30 0.00 0.00 52.55 49.24 2kwb s ASP 160 Cb -0.06 -1.72 0.12 0.00 -1.09 0.00 0.00 42.92 40.17 2kwb s ASP 160 CO -0.15 0.31 0.43 -0.69 0.70 0.00 0.00 175.17 175.77 2kwb s VAL 161 N -1.14 4.90 0.00 2.11 1.01 0.25 -4.47 120.40 123.06 2kwb s VAL 161 Ca 0.21 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.67 2kwb s VAL 161 Cb -0.12 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2kwb s VAL 161 CO 0.11 -0.79 0.00 -0.67 0.00 0.00 0.00 175.10 173.75 2kwb n ASP 162 N 5.14 -3.28 0.00 3.32 2.03 -1.26 -1.82 116.55 120.68 2kwb n ASP 162 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2kwb n ASP 162 Cb 0.41 -2.20 0.00 0.00 -0.72 0.00 0.00 41.12 38.60 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 -0.91 1.55 3.57 0.27 0.00 -1.26 -5.09 105.19 103.31 2kwb n GLY 163 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2kwb n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kwb s THR 164 N -1.03 4.17 -0.39 2.61 -4.23 -0.76 -4.96 115.64 111.05 2kwb s THR 164 Ca 0.00 0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 60.98 2kwb s THR 164 Cb 0.00 -4.64 0.01 0.00 1.34 0.00 0.00 72.50 69.20 2kwb s THR 164 CO 0.00 -1.21 1.39 -1.83 -0.54 0.00 0.00 174.62 172.42 2kwb s GLU 165 N 4.55 3.65 0.06 3.99 -1.05 -1.26 -0.58 118.70 128.05 2kwb s GLU 165 Ca 0.40 1.00 0.09 0.00 -0.15 0.00 0.00 54.97 56.30 2kwb s GLU 165 Cb -0.09 -3.99 -0.03 0.00 -0.44 0.00 0.00 34.13 29.58 2kwb s GLU 165 CO 0.24 -1.47 -0.25 0.14 0.95 0.00 0.00 175.26 174.87 2kwb s VAL 166 N 5.20 2.05 -0.27 1.83 -7.23 -0.58 -4.92 120.40 116.48 2kwb s VAL 166 Ca 0.60 -1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 2kwb s VAL 166 Cb -0.14 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.04 2kwb s VAL 166 CO 0.31 0.28 1.13 -2.16 -0.31 0.00 0.00 175.10 174.35 2kwb s PRO 167 N -1.36 4.13 -0.23 4.82 0.04 -1.26 -2.47 135.00 138.68 2kwb s PRO 167 Ca 0.11 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 2kwb s PRO 167 Cb -0.10 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.69 2kwb s PRO 167 CO 0.03 -0.82 0.04 0.99 0.04 0.00 0.00 177.00 177.27 2kwb s THR 168 N 3.59 4.12 0.08 1.26 2.01 -0.00 -1.84 115.64 124.85 2kwb s THR 168 Ca 0.48 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.04 2kwb s THR 168 Cb -0.15 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 2kwb s THR 168 CO 0.13 0.38 0.59 -0.22 -0.69 0.00 0.00 174.62 174.81 2kwb s LEU 169 N 1.34 4.53 0.00 4.42 2.96 -0.77 -0.37 118.68 130.80 2kwb s LEU 169 Ca 0.05 1.29 0.03 0.00 -0.22 0.00 0.00 54.13 55.27 2kwb s LEU 169 Cb -0.15 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 2kwb s LEU 169 CO 0.02 0.27 -0.08 0.00 -1.32 0.00 0.00 176.35 175.24 2kwb s MET 170 N -1.10 0.65 0.00 1.98 0.23 -0.46 -0.70 119.30 119.90 2kwb s MET 170 Ca 0.29 -0.35 0.00 0.00 -1.03 0.00 0.00 55.69 54.60 2kwb s MET 170 Cb -0.20 -0.61 -0.00 0.00 -1.53 0.00 0.00 34.83 32.49 2kwb s MET 170 CO 0.20 0.16 -0.01 -0.51 -2.03 0.00 0.00 175.02 172.83 2kwb s LEU 171 N -0.37 2.03 -0.17 0.18 1.43 -0.97 -2.62 118.68 118.19 2kwb s LEU 171 Ca 0.02 -0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 2kwb s LEU 171 Cb -0.04 -0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 2kwb s LEU 171 CO -0.00 -0.03 0.80 -0.69 0.23 0.00 0.00 176.35 176.66 2kwb s VAL 172 N -0.19 4.90 0.19 -1.59 1.01 -1.26 0.01 120.40 123.48 2kwb s VAL 172 Ca -0.02 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 2kwb s VAL 172 Cb -0.01 -4.10 0.12 0.00 0.00 0.00 0.00 36.38 32.38 2kwb s VAL 172 CO -0.00 0.04 1.71 0.50 0.00 0.00 0.00 175.10 177.35 2kwb h LYS 173 N 7.35 0.22 0.00 2.72 1.63 -1.13 0.53 116.57 127.89 2kwb h LYS 173 Ca -0.30 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2kwb h LYS 173 Cb 1.13 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2kwb h LYS 173 CO 0.83 0.15 0.00 0.39 -3.45 0.00 0.00 179.45 177.36 2kwb n GLU 174 N -5.12 0.31 -0.08 1.90 -0.58 -1.26 -2.25 120.64 113.55 2kwb n GLU 174 Ca 0.06 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.71 2kwb n GLU 174 Cb 0.26 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kwb n ALA 175 N -1.10 1.76 -2.50 0.62 0.00 -0.02 -4.78 120.51 114.49 2kwb n ALA 175 Ca 0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 2kwb n ALA 175 Cb 0.06 0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 2kwb n ALA 175 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2kwb s ILE 176 N -2.32 5.08 -0.02 0.00 1.10 -0.05 -0.46 121.20 124.53 2kwb s ILE 176 Ca -0.23 -0.19 -0.01 0.00 -0.51 0.00 0.00 60.65 59.72 2kwb s ILE 176 Cb 0.07 -4.00 -0.04 0.00 0.15 0.00 0.00 42.46 38.64 2kwb s ILE 176 CO 0.34 -0.35 0.06 -0.63 -2.11 0.00 0.00 174.94 172.24 2kwb s ILE 177 N 2.18 4.62 0.05 2.00 -1.09 -0.05 -4.69 121.20 124.22 2kwb s ILE 177 Ca 0.13 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 2kwb s ILE 177 Cb -0.17 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2kwb s ILE 177 CO 0.14 0.41 -0.11 -1.83 -1.23 0.00 0.00 174.94 172.32 2kwb s GLU 178 N -1.52 2.27 -0.20 2.79 1.03 -1.26 -0.54 118.70 121.26 2kwb s GLU 178 Ca 0.20 -0.91 -0.02 0.00 0.03 0.00 0.00 54.97 54.27 2kwb s GLU 178 Cb -0.12 -2.35 -0.00 0.00 -0.80 0.00 0.00 34.13 30.86 2kwb s GLU 178 CO 0.11 0.55 -0.09 -2.00 -1.33 0.00 0.00 175.26 172.49 2kwb s GLU 179 N -1.76 3.26 -0.48 -4.83 2.56 0.15 -4.98 118.70 112.63 2kwb s GLU 179 Ca 0.18 -0.69 -0.26 0.00 0.00 0.00 0.00 54.97 54.21 2kwb s GLU 179 Cb -0.11 -2.86 0.03 0.00 2.00 0.00 0.00 34.13 33.19 2kwb s GLU 179 CO 0.10 -0.18 0.98 0.21 -0.56 0.00 0.00 175.26 175.80 2kwb s LYS 180 N 1.38 3.53 -0.43 4.30 2.20 -1.26 -1.79 119.74 127.67 2kwb s LYS 180 Ca 0.05 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2kwb s LYS 180 Cb -0.14 -3.95 0.14 0.00 -1.51 0.00 0.00 37.83 32.37 2kwb s LYS 180 CO -0.06 -1.31 0.24 0.00 -0.36 0.00 0.00 175.35 173.87 2kwb n LEU 182 N 3.57 0.58 -0.54 0.00 7.99 -1.26 0.79 117.00 128.13 2kwb n LEU 182 Ca 0.11 0.12 0.14 0.00 -0.01 0.00 0.00 56.01 56.36 2kwb n LEU 182 Cb 0.36 -0.15 0.47 0.00 -0.11 0.00 0.00 43.42 43.99 2kwb n LEU 182 CO 0.21 -0.66 0.84 -0.62 -1.51 0.00 0.00 177.39 175.65