#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 2.67 -0.19 4.03 2.96 0.02 -0.83 118.68 127.33 2kwb s LEU 2 Ca 0.00 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2kwb s LEU 2 Cb 0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2kwb s LEU 2 CO 0.00 0.14 0.05 -0.63 -1.32 0.00 0.00 176.35 174.58 2kwb s ILE 3 N 0.51 4.51 0.11 6.68 1.01 -0.11 -0.02 121.20 133.90 2kwb s ILE 3 Ca -0.09 -0.13 0.10 0.00 0.00 0.00 0.00 60.65 60.53 2kwb s ILE 3 Cb -0.16 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2kwb s ILE 3 CO 0.04 0.43 -0.23 -0.72 0.00 0.00 0.00 174.94 174.47 2kwb s TYR 4 N 0.69 2.42 -0.18 3.97 1.13 0.44 0.14 117.35 125.96 2kwb s TYR 4 Ca 0.02 -0.33 -0.06 0.00 -1.41 0.00 0.00 57.07 55.29 2kwb s TYR 4 Cb -0.13 -1.32 0.08 0.00 -1.10 0.00 0.00 41.96 39.48 2kwb s TYR 4 CO 0.02 0.33 0.37 0.21 -2.51 0.00 0.00 175.55 173.97 2kwb s LYS 5 N -1.96 0.28 1.07 -3.49 2.20 -0.66 -2.65 119.74 114.53 2kwb s LYS 5 Ca 0.15 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.54 2kwb s LYS 5 Cb -0.10 0.20 0.22 0.00 -1.51 0.00 0.00 37.83 36.64 2kwb s LYS 5 CO 0.07 -0.25 1.13 -0.51 -0.36 0.00 0.00 175.35 175.43 2kwb s ASP 6 N 2.45 2.10 0.00 1.43 1.11 -1.26 -0.87 116.67 121.62 2kwb s ASP 6 Ca -0.02 0.81 0.28 0.00 0.18 0.00 0.00 52.55 53.80 2kwb s ASP 6 Cb -0.12 -1.22 1.12 0.00 1.07 0.00 0.00 42.92 43.77 2kwb s ASP 6 CO -0.12 -3.41 1.79 2.30 1.18 0.00 0.00 175.17 176.91 2kwb n ILE 7 N -4.31 0.00 -0.04 0.77 -5.35 0.52 -3.86 119.36 107.08 2kwb n ILE 7 Ca 0.10 -0.10 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 2kwb n ILE 7 Cb 0.59 0.09 -0.09 0.00 -1.74 0.00 0.00 39.64 38.48 2kwb n ILE 7 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2kwb n PHE 8 N -0.74 0.00 -0.97 4.28 3.72 -1.26 -4.72 117.46 117.77 2kwb n PHE 8 Ca 0.15 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.62 2kwb n PHE 8 Cb 0.30 -0.48 0.32 0.00 -0.94 0.00 0.00 39.48 38.68 2kwb n PHE 8 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2kwb n THR 9 N -2.29 2.53 0.30 4.37 5.66 -1.25 -4.75 114.28 118.84 2kwb n THR 9 Ca -0.14 -1.69 0.05 0.00 -3.05 0.00 0.00 64.05 59.22 2kwb n THR 9 Cb 0.73 -0.27 0.27 0.00 -1.55 0.00 0.00 70.33 69.51 2kwb n THR 9 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2kwb h ASP 10 N 2.76 0.00 0.50 1.09 5.19 -1.85 0.53 116.42 124.63 2kwb h ASP 10 Ca 0.01 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.13 2kwb h ASP 10 Cb 1.72 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.20 2kwb h ASP 10 CO 0.36 0.00 -1.60 -2.24 -3.12 0.00 0.00 179.24 172.65 2kwb h ASP 11 N 0.00 0.18 -0.40 6.45 2.03 -1.94 -3.35 116.42 119.40 2kwb h ASP 11 Ca 0.00 -0.31 -0.14 0.00 -0.73 0.00 0.00 57.03 55.85 2kwb h ASP 11 Cb 1.44 -0.06 -0.08 0.00 -0.83 0.00 0.00 39.33 39.80 2kwb h ASP 11 CO 0.00 1.27 0.18 1.21 -1.03 0.00 0.00 179.24 180.86 2kwb n GLU 12 N -3.28 2.20 -1.48 4.15 0.00 0.18 -4.98 120.64 117.44 2kwb n GLU 12 Ca -0.17 -1.50 -0.58 0.00 0.00 0.00 0.00 57.16 54.91 2kwb n GLU 12 Cb 1.03 -1.71 -0.08 0.00 0.00 0.00 0.00 31.44 30.68 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2kwb n LEU 13 N -0.03 0.61 -4.29 4.31 7.94 -1.23 -4.95 117.00 119.37 2kwb n LEU 13 Ca 0.22 1.06 -0.17 0.00 -1.11 0.00 0.00 56.01 56.01 2kwb n LEU 13 Cb 0.91 -0.81 -0.09 0.00 0.53 0.00 0.00 43.42 43.96 2kwb n LEU 13 CO 0.24 -1.18 -0.19 -0.44 -1.11 0.00 0.00 177.39 174.71 2kwb s SER 14 N 1.53 1.20 -0.03 1.96 0.01 -1.09 -5.03 113.70 112.27 2kwb s SER 14 Ca 0.89 -1.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 2kwb s SER 14 Cb -1.27 0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.40 2kwb s SER 14 CO 0.64 -0.91 0.06 -0.94 0.41 0.00 0.00 173.24 172.50 2kwb s SER 15 N -3.32 -0.03 0.17 2.44 1.04 -1.26 -0.42 113.70 112.33 2kwb s SER 15 Ca 0.38 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.94 2kwb s SER 15 Cb 0.05 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2kwb s SER 15 CO 0.18 -0.07 0.06 0.47 0.98 0.00 0.00 173.24 174.86 2kwb n ASP 16 N 3.57 1.18 -0.48 7.02 8.00 0.97 -4.94 116.55 131.87 2kwb n ASP 16 Ca -0.19 -1.90 0.09 0.00 0.71 0.00 0.00 54.79 53.50 2kwb n ASP 16 Cb 0.56 0.41 0.01 0.00 -0.02 0.00 0.00 41.12 42.07 2kwb n ASP 16 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2kwb n SER 17 N -1.78 1.92 -4.72 -2.24 3.41 -1.26 -0.80 113.62 108.15 2kwb n SER 17 Ca -0.03 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.70 2kwb n SER 17 Cb 0.25 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kwb s PHE 18 N -1.99 3.55 0.99 7.33 0.08 -1.26 -4.86 117.98 121.82 2kwb s PHE 18 Ca 0.16 1.50 -0.14 0.00 0.12 0.00 0.00 56.93 58.57 2kwb s PHE 18 Cb 0.15 -3.29 0.18 0.00 -0.57 0.00 0.00 43.02 39.50 2kwb s PHE 18 CO 0.42 -0.71 1.15 -2.14 -0.10 0.00 0.00 175.22 173.84 2kwb s PRO 19 N 0.67 0.49 -0.14 0.24 0.02 -1.26 -4.82 135.00 130.21 2kwb s PRO 19 Ca 0.54 0.14 -0.02 0.00 0.02 0.00 0.00 61.00 61.69 2kwb s PRO 19 Cb -0.27 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 2kwb s PRO 19 CO 0.30 -2.61 -0.09 0.00 -0.33 0.00 0.00 177.00 174.28 2kwb s MET 20 N -5.35 3.46 -0.37 5.54 0.23 -1.26 -5.08 119.30 116.47 2kwb s MET 20 Ca 0.67 -0.60 0.04 0.00 -1.03 0.00 0.00 55.69 54.76 2kwb s MET 20 Cb -0.13 -2.75 0.11 0.00 -1.53 0.00 0.00 34.83 30.53 2kwb s MET 20 CO 0.54 0.26 0.09 0.15 -2.03 0.00 0.00 175.02 174.03 2kwb s LYS 21 N 0.26 1.52 -0.17 3.16 -0.14 -1.26 -5.10 119.74 118.02 2kwb s LYS 21 Ca -0.06 -1.97 -0.09 0.00 -1.36 0.00 0.00 55.97 52.49 2kwb s LYS 21 Cb -0.15 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.80 2kwb s LYS 21 CO 0.04 -0.97 0.13 -1.17 -0.76 0.00 0.00 175.35 172.62 2kwb s LEU 22 N 0.73 4.28 -0.07 3.17 2.96 -1.26 -0.85 118.68 127.64 2kwb s LEU 22 Ca 0.12 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 2kwb s LEU 22 Cb -0.20 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2kwb s LEU 22 CO -0.07 0.27 -0.22 0.54 -1.32 0.00 0.00 176.35 175.54 2kwb s VAL 23 N -0.18 2.30 -0.91 1.68 0.11 0.49 -4.66 120.40 119.23 2kwb s VAL 23 Ca 0.11 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2kwb s VAL 23 Cb -0.11 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 2kwb s VAL 23 CO 0.00 0.57 0.00 -0.67 -3.33 0.00 0.00 175.10 171.67 2kwb n ASP 24 N 3.00 -4.53 -1.99 3.54 2.03 -1.26 -1.55 116.55 115.79 2kwb n ASP 24 Ca -0.18 0.21 -0.14 0.00 0.52 0.00 0.00 54.79 55.21 2kwb n ASP 24 Cb 0.52 -3.42 -0.03 0.00 -0.72 0.00 0.00 41.12 37.47 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kwb n ASP 25 N -0.53 -4.05 -0.04 1.67 9.92 -1.26 -4.80 116.55 117.46 2kwb n ASP 25 Ca -0.09 0.24 -0.08 0.00 -0.53 0.00 0.00 54.79 54.33 2kwb n ASP 25 Cb 0.47 -3.55 -0.03 0.00 -0.64 0.00 0.00 41.12 37.37 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kwb n LEU 26 N -2.45 0.65 -4.12 0.64 7.94 -0.60 -4.92 117.00 114.15 2kwb n LEU 26 Ca -0.16 0.09 -0.10 0.00 -1.11 0.00 0.00 56.01 54.74 2kwb n LEU 26 Cb 0.56 -0.24 -0.10 0.00 0.53 0.00 0.00 43.42 44.17 2kwb n LEU 26 CO 0.20 0.18 -0.38 0.68 -1.11 0.00 0.00 177.39 176.97 2kwb s VAL 27 N -2.15 0.48 0.19 1.96 -7.23 -1.08 -0.91 120.40 111.66 2kwb s VAL 27 Ca -0.11 -1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 58.28 2kwb s VAL 27 Cb 0.04 -1.37 -0.07 0.00 0.56 0.00 0.00 36.38 35.55 2kwb s VAL 27 CO 0.14 -0.81 0.49 -0.31 -0.31 0.00 0.00 175.10 174.30 2kwb s TYR 28 N -3.22 3.46 -0.11 2.82 2.02 0.93 -0.38 117.35 122.87 2kwb s TYR 28 Ca 0.05 0.78 0.01 0.00 -0.37 0.00 0.00 57.07 57.55 2kwb s TYR 28 Cb 0.03 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 2kwb s TYR 28 CO -0.05 0.35 -0.14 -2.00 -1.57 0.00 0.00 175.55 172.13 2kwb s GLU 29 N -2.64 2.13 -0.06 -0.62 2.12 -0.03 -2.37 118.70 117.23 2kwb s GLU 29 Ca 0.44 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 55.27 2kwb s GLU 29 Cb -0.12 -1.85 0.01 0.00 0.26 0.00 0.00 34.13 32.42 2kwb s GLU 29 CO 0.22 -0.10 -0.14 0.12 -0.54 0.00 0.00 175.26 174.82 2kwb s PHE 30 N 1.10 1.60 -0.19 5.30 5.36 -0.95 -4.63 117.98 125.57 2kwb s PHE 30 Ca -0.04 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.37 2kwb s PHE 30 Cb -0.14 -1.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.42 2kwb s PHE 30 CO -0.03 -0.26 -0.19 0.15 -1.46 0.00 0.00 175.22 173.43 2kwb s LYS 31 N 0.49 2.93 0.00 10.12 1.02 -1.26 -0.62 119.74 132.42 2kwb s LYS 31 Ca -0.13 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2kwb s LYS 31 Cb -0.15 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 2kwb s LYS 31 CO 0.04 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 2kwb n GLY 32 N 4.60 4.04 3.65 -3.33 0.00 -1.26 -5.06 105.19 107.83 2kwb n GLY 32 Ca -0.20 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 2kwb n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s LYS 33 N 2.44 2.33 -0.51 1.61 -2.85 -1.26 -4.93 119.74 116.57 2kwb s LYS 33 Ca 0.00 -1.35 -0.22 0.00 -1.00 0.00 0.00 55.97 53.39 2kwb s LYS 33 Cb 0.00 -2.20 0.04 0.00 -2.06 0.00 0.00 37.83 33.61 2kwb s LYS 33 CO 0.00 0.38 0.81 -1.01 0.10 0.00 0.00 175.35 175.63 2kwb s HIS 34 N -2.21 2.92 0.06 1.78 3.76 -1.26 -1.49 115.29 118.85 2kwb s HIS 34 Ca 0.31 -0.09 -0.04 0.00 -0.15 0.00 0.00 55.06 55.09 2kwb s HIS 34 Cb -0.07 -3.80 -0.03 0.00 1.11 0.00 0.00 32.58 29.80 2kwb s HIS 34 CO 0.20 -1.15 0.04 0.14 -0.85 0.00 0.00 174.74 173.12 2kwb s VAL 35 N 3.40 0.19 -0.00 -0.90 -7.23 -0.54 -4.80 120.40 110.51 2kwb s VAL 35 Ca 0.26 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2kwb s VAL 35 Cb -0.14 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 2kwb s VAL 35 CO 0.18 -0.86 -0.01 0.68 -0.31 0.00 0.00 175.10 174.78 2kwb s VAL 36 N -3.78 0.09 -0.19 1.32 -7.23 -1.25 -1.94 120.40 107.42 2kwb s VAL 36 Ca 0.05 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 2kwb s VAL 36 Cb 0.06 -0.08 0.03 0.00 0.56 0.00 0.00 36.38 36.95 2kwb s VAL 36 CO -0.10 0.03 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.96 2kwb s ARG 37 N -0.02 2.60 0.08 4.82 3.52 -0.28 -3.11 118.95 126.56 2kwb s ARG 37 Ca 0.00 -0.87 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2kwb s ARG 37 Cb -0.01 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 2kwb s ARG 37 CO -0.00 -0.31 -0.12 0.21 -0.81 0.00 0.00 175.30 174.27 2kwb s LYS 38 N 1.31 0.83 0.28 5.12 2.20 0.65 -1.60 119.74 128.54 2kwb s LYS 38 Ca 0.02 -1.05 -0.02 0.00 -0.36 0.00 0.00 55.97 54.56 2kwb s LYS 38 Cb -0.15 -0.68 0.63 0.00 -1.51 0.00 0.00 37.83 36.12 2kwb s LYS 38 CO -0.11 0.13 1.60 1.49 -0.36 0.00 0.00 175.35 178.11 2kwb h GLU 39 N 3.95 0.06 -1.46 4.03 4.81 -1.98 -2.11 114.58 121.88 2kwb h GLU 39 Ca -0.39 -0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.26 2kwb h GLU 39 Cb 1.19 -0.01 -0.42 0.00 0.63 0.00 0.00 28.75 30.14 2kwb h GLU 39 CO 0.46 0.04 -0.75 0.41 -0.73 0.00 0.00 179.01 178.44 2kwb n GLY 40 N -1.47 5.90 3.65 1.92 0.00 -1.26 -5.01 105.19 108.92 2kwb n GLY 40 Ca 0.19 -2.72 -0.03 0.00 0.00 0.00 0.00 46.02 43.46 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 -3.53 0.11 -0.28 1.61 2.56 -0.79 -5.18 118.70 113.19 2kwb s GLU 41 Ca 0.48 0.14 -0.17 0.00 0.00 0.00 0.00 54.97 55.42 2kwb s GLU 41 Cb 0.40 0.05 0.11 0.00 2.00 0.00 0.00 34.13 36.69 2kwb s GLU 41 CO -0.17 -0.01 0.81 -1.50 -0.56 0.00 0.00 175.26 173.83 2kwb s ILE 42 N 0.18 0.00 0.03 -3.70 1.10 -1.26 -0.25 121.20 117.30 2kwb s ILE 42 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.19 2kwb s ILE 42 Cb -0.05 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.56 2kwb s ILE 42 CO -0.14 0.00 0.00 0.52 -2.11 0.00 0.00 174.94 173.21 2kwb n VAL 43 N 3.88-13.69 -2.08 4.00 0.31 -1.18 -5.02 118.33 104.54 2kwb n VAL 43 Ca -0.19 3.25 -0.28 0.00 -0.01 0.00 0.00 64.34 67.12 2kwb n VAL 43 Cb 0.58 -6.13 0.12 0.00 -0.91 0.00 0.00 33.84 27.50 2kwb n VAL 43 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kwb s LEU 44 N -0.60 2.72 0.23 7.52 2.01 -1.26 -5.04 118.68 124.26 2kwb s LEU 44 Ca 0.00 0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.50 2kwb s LEU 44 Cb 0.00 -2.71 0.00 0.00 0.01 0.00 0.00 46.19 43.49 2kwb s LEU 44 CO 0.00 -2.13 0.00 0.00 1.01 0.00 0.00 176.35 175.23 2kwb n ALA 45 N -3.32 2.04 -3.69 4.21 0.00 -1.26 -5.13 120.51 113.36 2kwb n ALA 45 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kwb n ALA 45 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2kwb n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kwb n GLY 46 N 0.54 5.11 0.00 0.00 0.00 -1.26 -5.18 105.19 104.40 2kwb n GLY 46 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.77 1.46 -4.91 1.61 3.41 -1.26 -5.16 113.62 108.00 2kwb n SER 47 Ca 0.00 -0.99 -0.28 0.00 -0.26 0.00 0.00 58.87 57.34 2kwb n SER 47 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2kwb n SER 47 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2kwb s ASN 48 N -0.98 6.43 0.88 4.04 0.01 -1.26 -5.10 114.94 118.97 2kwb s ASN 48 Ca 0.00 0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 52.67 2kwb s ASN 48 Cb 0.00 -2.11 0.12 0.00 0.41 0.00 0.00 41.25 39.67 2kwb s ASN 48 CO 0.00 -0.15 1.09 -2.16 -1.51 0.00 0.00 177.10 174.37 2kwb s PRO 49 N -3.48 1.36 -1.65 -0.60 0.04 -1.26 -3.96 135.00 125.45 2kwb s PRO 49 Ca 0.43 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.22 2kwb s PRO 49 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2kwb s PRO 49 CO 0.30 -2.15 0.02 0.45 0.04 0.00 0.00 177.00 175.66 2kwb n SER 50 N -3.81 -5.58 -0.47 6.66 2.88 -1.26 -4.87 113.62 107.17 2kwb n SER 50 Ca 0.07 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2kwb n SER 50 Cb 0.56 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.40 2kwb n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kwb n ALA 51 N -2.00 2.21 0.00 -1.46 0.00 -1.25 -3.83 120.51 114.18 2kwb n ALA 51 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 2kwb n ALA 51 Cb 0.67 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 2kwb n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kwb h GLU 52 N 0.18 -0.06 -0.27 0.00 4.81 -1.94 -3.23 114.58 114.07 2kwb h GLU 52 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2kwb h GLU 52 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2kwb h GLU 52 CO 0.00 0.45 -0.41 0.93 -0.73 0.00 0.00 179.01 179.25 2kwb h GLU 53 N -0.61 0.65 0.00 1.92 5.08 -2.00 -3.47 114.58 116.16 2kwb h GLU 53 Ca -0.01 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2kwb h GLU 53 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kwb h GLU 53 CO 0.01 0.95 0.00 0.41 -1.00 0.00 0.00 179.01 179.38 2kwb n GLY 54 N 0.04 1.53 3.57 -3.84 0.00 -1.22 -4.91 105.19 100.35 2kwb n GLY 54 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 55 N -0.03 0.89 -0.03 4.61 0.00 -1.26 -4.42 121.76 121.52 2kwb s ALA 55 Ca 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.79 2kwb s ALA 55 Cb 0.00 -4.62 0.07 0.00 0.00 0.00 0.00 23.12 18.57 2kwb s ALA 55 CO 0.00 -5.95 0.90 -1.91 0.00 0.00 0.00 175.76 168.81 2kwb n GLU 56 N 8.61 0.84 -2.69 0.00 2.13 -1.26 -5.07 120.64 123.21 2kwb n GLU 56 Ca 0.44 -1.32 -0.42 0.00 0.66 0.00 0.00 57.16 56.51 2kwb n GLU 56 Cb 0.45 -0.82 -0.03 0.00 0.27 0.00 0.00 31.44 31.31 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kwb s ASP 57 N -1.17 6.31 0.00 4.31 1.11 -1.26 -4.81 116.67 121.16 2kwb s ASP 57 Ca 0.07 -0.30 0.24 0.00 0.18 0.00 0.00 52.55 52.74 2kwb s ASP 57 Cb 0.06 -2.50 0.31 0.00 1.07 0.00 0.00 42.92 41.86 2kwb s ASP 57 CO 0.01 -1.48 1.28 0.47 1.18 0.00 0.00 175.17 176.63 2kwb n ASP 58 N 8.26 1.53 0.00 0.27 8.00 -1.26 -5.00 116.55 128.35 2kwb n ASP 58 Ca 0.04 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2kwb n ASP 58 Cb 0.48 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 1.39 0.65 3.07 0.44 0.00 -1.26 -4.98 105.19 104.50 2kwb n GLY 59 Ca 0.10 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2kwb n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kwb n SER 60 N 0.00 4.04 0.00 1.61 7.64 -1.26 -4.62 113.62 121.03 2kwb n SER 60 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2kwb n SER 60 Cb 0.00 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.56 2kwb n SER 60 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kwb n ASP 61 N 7.37 0.00 -1.52 6.43 -0.08 -1.26 -4.91 116.55 122.57 2kwb n ASP 61 Ca 0.50 0.01 -0.11 0.00 -1.51 0.00 0.00 54.79 53.69 2kwb n ASP 61 Cb 0.42 -0.26 -0.04 0.00 2.34 0.00 0.00 41.12 43.58 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kwb n GLU 62 N -1.98 -1.44 -1.55 -0.67 1.02 -1.26 -0.37 120.64 114.38 2kwb n GLU 62 Ca 0.00 0.60 -0.19 0.00 -0.02 0.00 0.00 57.16 57.55 2kwb n GLU 62 Cb 0.00 -4.87 -0.08 0.00 -0.02 0.00 0.00 31.44 26.46 2kwb n GLU 62 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kwb n HIS 63 N -2.00 -0.03 -2.08 -0.32 8.25 -1.26 -4.95 115.22 112.83 2kwb n HIS 63 Ca -0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.95 2kwb n HIS 63 Cb 0.39 -3.33 -0.01 0.00 1.12 0.00 0.00 29.99 28.16 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kwb s VAL 64 N -2.62 2.65 -0.71 1.59 1.01 0.50 -4.89 120.40 117.93 2kwb s VAL 64 Ca 0.00 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 2kwb s VAL 64 Cb 0.00 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 2kwb s VAL 64 CO 0.00 0.12 1.90 -0.62 0.00 0.00 0.00 175.10 176.50 2kwb n GLU 65 N 0.47 1.39 -3.75 2.72 4.71 -0.62 -4.90 120.64 120.65 2kwb n GLU 65 Ca 0.02 -1.78 -0.37 0.00 -0.01 0.00 0.00 57.16 55.02 2kwb n GLU 65 Cb 0.43 -2.88 -0.06 0.00 -1.01 0.00 0.00 31.44 27.91 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2kwb s ARG 66 N 5.14 3.73 0.00 3.49 1.70 -1.26 -1.13 118.95 130.62 2kwb s ARG 66 Ca 0.58 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.83 2kwb s ARG 66 Cb 0.14 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2kwb s ARG 66 CO 0.13 0.63 0.00 0.41 -1.08 0.00 0.00 175.30 175.40 2kwb n GLY 67 N 2.32 0.43 3.56 3.88 0.00 -0.82 -4.96 105.19 109.61 2kwb n GLY 67 Ca -0.17 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 3.68 0.45 -0.61 -4.36 -1.26 -1.47 121.20 117.62 2kwb s ILE 68 Ca 0.00 -0.48 0.27 0.00 -0.26 0.00 0.00 60.65 60.18 2kwb s ILE 68 Cb 0.00 -2.52 0.47 0.00 1.25 0.00 0.00 42.46 41.66 2kwb s ILE 68 CO 0.00 0.58 1.72 -0.78 0.24 0.00 0.00 174.94 176.71 2kwb h ASP 69 N 5.51 0.28 -0.21 4.36 1.82 -1.56 -1.77 116.42 124.84 2kwb h ASP 69 Ca -0.45 0.08 0.04 0.00 -0.39 0.00 0.00 57.03 56.31 2kwb h ASP 69 Cb 1.18 0.04 -0.07 0.00 0.68 0.00 0.00 39.33 41.16 2kwb h ASP 69 CO 0.54 -0.02 -0.50 0.40 -1.61 0.00 0.00 179.24 178.05 2kwb h ILE 70 N 0.21 0.05 0.03 2.25 2.04 -1.95 0.44 117.51 120.58 2kwb h ILE 70 Ca 0.67 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 66.30 2kwb h ILE 70 Cb 2.08 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2kwb h ILE 70 CO -0.27 0.00 -1.10 -0.37 0.00 0.00 0.00 178.15 176.41 2kwb h VAL 71 N -0.50 1.61 -0.46 1.67 -1.51 -1.75 -3.32 116.25 111.99 2kwb h VAL 71 Ca 0.07 -3.30 -0.10 0.00 -1.23 0.00 0.00 66.70 62.13 2kwb h VAL 71 Cb 0.65 2.85 -0.01 0.00 -2.13 0.00 0.00 31.29 32.64 2kwb h VAL 71 CO -0.47 0.93 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.61 2kwb h LEU 72 N 0.02 0.90 -1.18 4.19 3.38 -1.28 0.05 115.31 121.39 2kwb h LEU 72 Ca -0.06 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 57.67 2kwb h LEU 72 Cb 1.83 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 2kwb h LEU 72 CO 0.14 1.06 0.59 -1.13 0.09 0.00 0.00 178.44 179.20 2kwb h ASN 73 N 0.74 0.77 -0.36 -0.43 -0.00 -1.00 -1.20 115.58 114.09 2kwb h ASN 73 Ca 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 2kwb h ASN 73 Cb 0.67 -0.11 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 2kwb h ASN 73 CO 0.05 0.41 0.00 1.57 -0.00 0.00 0.00 177.43 179.46 2kwb n HIS 74 N -4.57 1.26 -4.30 0.67 -0.00 -1.16 -4.98 115.22 102.14 2kwb n HIS 74 Ca 0.17 -0.82 -0.36 0.00 0.46 0.00 0.00 57.72 57.18 2kwb n HIS 74 Cb 0.40 -0.36 -0.05 0.00 -0.12 0.00 0.00 29.99 29.86 2kwb n HIS 74 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2kwb n LYS 75 N -0.12 -2.10 -1.28 1.57 2.85 -0.46 -4.57 118.16 114.05 2kwb n LYS 75 Ca 0.23 0.26 -0.30 0.00 -1.05 0.00 0.00 58.31 57.45 2kwb n LYS 75 Cb 0.97 -4.66 0.11 0.00 -0.65 0.00 0.00 35.03 30.79 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kwb s LEU 76 N -7.24 2.73 -0.01 -5.58 1.43 -0.08 -3.58 118.68 106.35 2kwb s LEU 76 Ca 0.55 1.65 0.08 0.00 -1.03 0.00 0.00 54.13 55.38 2kwb s LEU 76 Cb -0.31 -4.26 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 2kwb s LEU 76 CO 0.96 -2.21 -0.24 0.54 0.23 0.00 0.00 176.35 175.63 2kwb s VAL 77 N -2.94 2.22 -0.26 -1.59 0.11 -0.32 -4.86 120.40 112.77 2kwb s VAL 77 Ca 0.62 -1.13 -0.28 0.00 -2.93 0.00 0.00 61.98 58.26 2kwb s VAL 77 Cb -0.17 -1.81 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 2kwb s VAL 77 CO 0.56 0.52 1.00 -0.70 -3.33 0.00 0.00 175.10 173.16 2kwb s GLU 78 N -0.80 4.19 -0.06 1.54 2.12 -1.26 -2.00 118.70 122.43 2kwb s GLU 78 Ca 0.11 1.20 0.02 0.00 0.36 0.00 0.00 54.97 56.65 2kwb s GLU 78 Cb -0.10 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2kwb s GLU 78 CO 0.00 -0.68 -0.10 1.41 -0.54 0.00 0.00 175.26 175.35 2kwb s MET 79 N 3.24 2.67 0.21 4.30 -2.45 0.89 -4.98 119.30 123.18 2kwb s MET 79 Ca 0.42 -0.62 0.10 0.00 -1.25 0.00 0.00 55.69 54.35 2kwb s MET 79 Cb -0.14 -2.50 -0.05 0.00 1.25 0.00 0.00 34.83 33.39 2kwb s MET 79 CO 0.09 0.62 -0.20 -0.80 1.05 0.00 0.00 175.02 175.78 2kwb s ASN 80 N -0.72 3.11 0.00 1.11 -0.87 -1.26 -0.84 114.94 115.47 2kwb s ASN 80 Ca 0.11 -0.93 0.19 0.00 -1.57 0.00 0.00 52.86 50.66 2kwb s ASN 80 Cb -0.11 -0.22 1.03 0.00 -0.02 0.00 0.00 41.25 41.94 2kwb s ASN 80 CO 0.01 0.01 1.56 0.00 -2.57 0.00 0.00 177.10 176.11 2kwb h TYR 82 N 0.00 -0.76 0.00 0.00 -0.00 -1.96 -3.06 116.97 111.20 2kwb h TYR 82 Ca 0.00 0.02 -0.34 0.00 -0.00 0.00 0.00 58.73 58.41 2kwb h TYR 82 Cb 0.10 0.32 -0.06 0.00 -0.00 0.00 0.00 36.73 37.09 2kwb h TYR 82 CO 0.00 -0.39 -2.20 -1.91 -0.00 0.00 0.00 178.16 173.66 2kwb n GLU 83 N -5.39 0.49 0.00 0.10 4.07 -1.25 -4.59 120.64 114.07 2kwb n GLU 83 Ca -0.07 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2kwb n GLU 83 Cb 0.30 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kwb n ASP 84 N -3.55 0.49 -0.31 4.31 9.92 -1.21 -3.72 116.55 122.47 2kwb n ASP 84 Ca -0.40 -1.22 0.05 0.00 -0.53 0.00 0.00 54.79 52.70 2kwb n ASP 84 Cb 0.85 -0.25 0.20 0.00 -0.64 0.00 0.00 41.12 41.28 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kwb h ALA 85 N 1.73 1.30 0.00 2.24 0.00 -1.77 -0.49 119.26 122.26 2kwb h ALA 85 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kwb h ALA 85 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kwb h ALA 85 CO 0.00 0.09 -0.22 0.77 0.00 0.00 0.00 179.25 179.88 2kwb h SER 86 N 0.81 0.00 0.66 0.00 0.02 -1.90 -2.40 113.55 110.73 2kwb h SER 86 Ca 0.44 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 2kwb h SER 86 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2kwb h SER 86 CO -0.28 0.22 -0.32 -0.03 -1.14 0.00 0.00 176.83 175.29 2kwb h MET 87 N 0.00 -0.85 0.00 3.45 -1.53 -1.36 -1.70 114.93 112.94 2kwb h MET 87 Ca -0.00 0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.29 2kwb h MET 87 Cb 0.68 0.19 -0.00 0.00 -0.55 0.00 0.00 31.60 31.92 2kwb h MET 87 CO 0.03 -0.57 -0.13 0.27 0.14 0.00 0.00 176.91 176.65 2kwb h PHE 88 N -0.99 0.00 0.44 1.39 -5.15 -1.61 0.40 116.94 111.42 2kwb h PHE 88 Ca -0.09 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.67 2kwb h PHE 88 Cb 0.68 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.82 2kwb h PHE 88 CO 0.05 0.13 -0.50 -0.22 -2.00 0.00 0.00 178.31 175.77 2kwb h LYS 89 N 0.00 -0.92 -0.30 6.09 3.64 -1.30 0.11 116.57 123.90 2kwb h LYS 89 Ca -0.00 0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 2kwb h LYS 89 Cb 0.52 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2kwb h LYS 89 CO 0.02 -0.61 -0.45 0.00 -2.27 0.00 0.00 179.45 176.14 2kwb h ALA 90 N -0.88 0.64 0.08 5.00 0.00 -1.12 -2.62 119.26 120.36 2kwb h ALA 90 Ca -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2kwb h ALA 90 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kwb h ALA 90 CO -0.09 0.67 -0.16 -0.92 0.00 0.00 0.00 179.25 178.75 2kwb h TYR 91 N 0.63 -0.41 -0.06 0.00 3.20 -0.87 -2.37 116.97 117.08 2kwb h TYR 91 Ca 0.04 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2kwb h TYR 91 Cb 1.02 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2kwb h TYR 91 CO 0.06 -0.24 -0.26 0.82 -1.64 0.00 0.00 178.16 176.90 2kwb h ILE 92 N -0.30 1.21 0.92 1.81 1.08 -0.81 0.45 117.51 121.87 2kwb h ILE 92 Ca 0.03 -1.01 -0.04 0.00 -0.39 0.00 0.00 64.86 63.44 2kwb h ILE 92 Cb 0.33 1.46 0.01 0.00 -3.07 0.00 0.00 36.82 35.54 2kwb h ILE 92 CO -0.09 0.30 -0.47 0.50 -0.69 0.00 0.00 178.15 177.69 2kwb h LYS 93 N 0.10 -1.22 -0.75 2.37 3.64 -1.06 0.24 116.57 119.89 2kwb h LYS 93 Ca 0.02 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2kwb h LYS 93 Cb 0.52 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2kwb h LYS 93 CO 0.04 -0.82 0.38 -0.22 -2.27 0.00 0.00 179.45 176.56 2kwb h LYS 94 N -1.27 1.06 -0.63 1.90 3.11 -1.41 -2.59 116.57 116.74 2kwb h LYS 94 Ca -0.13 -0.14 0.11 0.00 -2.81 0.00 0.00 60.65 57.68 2kwb h LYS 94 Cb 0.98 -0.20 -0.08 0.00 -1.00 0.00 0.00 32.23 31.94 2kwb h LYS 94 CO 0.19 0.81 0.21 0.35 -2.81 0.00 0.00 179.45 178.19 2kwb h PHE 95 N 1.04 0.35 -0.08 1.91 3.57 -0.82 0.20 116.94 123.10 2kwb h PHE 95 Ca 0.26 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.81 2kwb h PHE 95 Cb 0.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2kwb h PHE 95 CO 0.00 0.05 -0.03 1.98 -2.23 0.00 0.00 178.31 178.09 2kwb h MET 96 N 0.36 -0.02 -0.41 1.11 4.05 -0.13 0.18 114.93 120.07 2kwb h MET 96 Ca 0.32 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.69 2kwb h MET 96 Cb 0.44 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 2kwb h MET 96 CO -0.35 -0.01 0.02 0.87 0.23 0.00 0.00 176.91 177.67 2kwb h LYS 97 N -0.02 0.64 -0.15 0.39 1.79 -1.18 -2.79 116.57 115.26 2kwb h LYS 97 Ca 0.04 -0.14 -0.17 0.00 -2.18 0.00 0.00 60.65 58.19 2kwb h LYS 97 Cb 0.08 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2kwb h LYS 97 CO -0.09 0.65 -0.59 -0.97 -1.08 0.00 0.00 179.45 177.37 2kwb h ASN 98 N 0.62 0.78 -0.64 0.86 -0.00 -0.13 0.56 115.58 117.63 2kwb h ASN 98 Ca 0.13 -0.61 -0.08 0.00 -0.00 0.00 0.00 56.30 55.74 2kwb h ASN 98 Cb 0.35 -0.23 -0.03 0.00 -0.00 0.00 0.00 38.32 38.42 2kwb h ASN 98 CO 0.01 1.26 0.08 -0.37 -0.00 0.00 0.00 177.43 178.41 2kwb h VAL 99 N 0.35 1.26 -0.36 2.57 -1.51 -0.96 0.17 116.25 117.77 2kwb h VAL 99 Ca -0.03 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.34 2kwb h VAL 99 Cb 1.22 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2kwb h VAL 99 CO 0.12 0.39 0.07 0.40 -1.23 0.00 0.00 177.57 177.32 2kwb h ILE 100 N 1.00 1.23 -1.00 7.19 1.08 -1.49 -2.19 117.51 123.34 2kwb h ILE 100 Ca 0.19 -0.82 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 2kwb h ILE 100 Cb 0.46 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.21 2kwb h ILE 100 CO 0.02 0.28 0.63 -0.78 -0.69 0.00 0.00 178.15 177.60 2kwb h ASP 101 N 0.43 0.94 -0.37 1.72 3.58 -0.53 0.23 116.42 122.43 2kwb h ASP 101 Ca 0.11 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2kwb h ASP 101 Cb 0.34 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2kwb h ASP 101 CO 0.01 0.51 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.13 2kwb h HIS 102 N 1.01 0.71 0.00 0.28 2.76 -0.42 -3.27 115.15 116.23 2kwb h HIS 102 Ca 0.49 -0.13 -0.10 0.00 -2.20 0.00 0.00 60.37 58.43 2kwb h HIS 102 Cb 0.44 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2kwb h HIS 102 CO -0.01 0.75 -0.67 0.52 -1.30 0.00 0.00 177.93 177.23 2kwb h MET 103 N 0.47 0.00 -1.00 5.26 2.86 -1.01 -3.40 114.93 118.11 2kwb h MET 103 Ca 0.10 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.96 2kwb h MET 103 Cb 0.47 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.02 2kwb h MET 103 CO 0.02 0.63 0.59 1.49 1.06 0.00 0.00 176.91 180.70 2kwb h GLU 104 N -1.00 0.63 -0.79 1.72 4.22 -0.71 0.13 114.58 118.77 2kwb h GLU 104 Ca -0.15 -0.04 0.11 0.00 0.08 0.00 0.00 59.36 59.37 2kwb h GLU 104 Cb 0.89 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 2kwb h GLU 104 CO -0.09 0.41 0.41 -0.22 -2.18 0.00 0.00 179.01 177.34 2kwb h LYS 105 N 0.65 0.63 -0.02 1.92 1.63 -1.74 0.90 116.57 120.54 2kwb h LYS 105 Ca 0.61 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 2kwb h LYS 105 Cb 1.08 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2kwb h LYS 105 CO -0.44 0.42 -0.27 0.27 -3.45 0.00 0.00 179.45 175.98 2kwb n ASN 106 N -4.84 2.20 -0.07 4.20 0.23 -0.24 -4.63 115.26 112.12 2kwb n ASN 106 Ca 0.14 -1.60 -0.07 0.00 -0.53 0.00 0.00 54.58 52.52 2kwb n ASN 106 Cb 0.33 0.30 -0.02 0.00 -2.08 0.00 0.00 39.78 38.31 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 0.40 1.56 0.00 0.53 4.13 0.28 -4.99 115.26 117.17 2kwb n ASN 107 Ca 0.10 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.62 2kwb n ASN 107 Cb 0.46 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 2kwb n ASN 107 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2kwb n ARG 108 N -4.07 0.00 -2.16 3.52 1.85 0.26 -4.93 116.66 111.14 2kwb n ARG 108 Ca -0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.44 2kwb n ARG 108 Cb 0.40 -2.17 -0.05 0.00 -1.05 0.00 0.00 32.46 29.59 2kwb n ARG 108 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2kwb s ASP 109 N -2.06 5.38 0.59 2.89 1.47 -1.26 -4.79 116.67 118.89 2kwb s ASP 109 Ca 0.00 -1.38 0.25 0.00 1.18 0.00 0.00 52.55 52.60 2kwb s ASP 109 Cb 0.00 -2.58 1.37 0.00 -0.34 0.00 0.00 42.92 41.38 2kwb s ASP 109 CO 0.00 -2.63 1.75 0.07 0.68 0.00 0.00 175.17 175.04 2kwb h LYS 110 N 10.06 0.00 0.18 2.11 2.10 -1.97 0.30 116.57 129.34 2kwb h LYS 110 Ca 0.20 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.59 2kwb h LYS 110 Cb 0.96 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.31 2kwb h LYS 110 CO 1.26 0.00 -1.18 0.00 -2.00 0.00 0.00 179.45 177.53 2kwb h ALA 111 N 1.27 -0.05 0.10 0.07 0.00 -1.99 -3.25 119.26 115.40 2kwb h ALA 111 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 54.91 53.92 2kwb h ALA 111 Cb 0.69 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kwb h ALA 111 CO 0.00 0.59 -0.70 0.22 0.00 0.00 0.00 179.25 179.36 2kwb h ASP 112 N -0.17 0.32 -0.12 0.00 3.58 -1.38 -2.60 116.42 116.05 2kwb h ASP 112 Ca -0.22 -0.93 0.03 0.00 0.42 0.00 0.00 57.03 56.33 2kwb h ASP 112 Cb 1.85 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.80 2kwb h ASP 112 CO 0.18 1.33 0.10 -0.37 -2.88 0.00 0.00 179.24 177.60 2kwb h VAL 113 N -0.55 0.68 -0.19 2.25 -1.51 -1.54 0.13 116.25 115.52 2kwb h VAL 113 Ca -0.14 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.18 2kwb h VAL 113 Cb 1.48 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2kwb h VAL 113 CO 0.09 0.00 -0.51 -0.78 -1.23 0.00 0.00 177.57 175.13 2kwb h ASP 114 N 0.00 0.57 -0.19 4.19 3.58 -1.58 0.13 116.42 123.12 2kwb h ASP 114 Ca 0.06 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 2kwb h ASP 114 Cb 0.26 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2kwb h ASP 114 CO -0.00 0.98 -0.02 0.00 -2.88 0.00 0.00 179.24 177.32 2kwb h ALA 115 N 1.03 0.26 -0.66 -0.78 0.00 -0.43 0.12 119.26 118.80 2kwb h ALA 115 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2kwb h ALA 115 Cb 1.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2kwb h ALA 115 CO 0.10 0.00 0.29 0.35 0.00 0.00 0.00 179.25 179.99 2kwb h PHE 116 N 0.09 0.98 -0.62 0.00 3.57 -1.09 -0.12 116.94 119.75 2kwb h PHE 116 Ca 0.05 -0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2kwb h PHE 116 Cb 0.44 -0.30 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 2kwb h PHE 116 CO 0.04 0.75 0.11 -0.22 -2.23 0.00 0.00 178.31 176.77 2kwb h LYS 117 N 0.93 0.22 -0.37 1.11 3.11 -0.59 -1.12 116.57 119.86 2kwb h LYS 117 Ca 0.22 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.01 2kwb h LYS 117 Cb 0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 2kwb h LYS 117 CO -0.02 0.15 0.05 -0.22 -2.81 0.00 0.00 179.45 176.59 2kwb h LYS 118 N 0.23 0.56 0.63 1.90 3.64 0.05 0.18 116.57 123.76 2kwb h LYS 118 Ca 0.33 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2kwb h LYS 118 Cb 0.51 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2kwb h LYS 118 CO -0.44 0.55 -0.47 0.87 -2.27 0.00 0.00 179.45 177.69 2kwb h LYS 119 N 0.54 -1.02 -0.11 1.90 1.79 0.17 0.68 116.57 120.53 2kwb h LYS 119 Ca 0.12 0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.56 2kwb h LYS 119 Cb 0.28 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2kwb h LYS 119 CO 0.00 -0.68 -0.37 0.97 -1.08 0.00 0.00 179.45 178.30 2kwb h ILE 120 N -1.05 1.29 0.45 1.86 6.09 -1.23 -1.06 117.51 123.85 2kwb h ILE 120 Ca -0.08 -1.40 -0.02 0.00 -1.37 0.00 0.00 64.86 61.99 2kwb h ILE 120 Cb 0.87 1.61 0.00 0.00 0.47 0.00 0.00 36.82 39.78 2kwb h ILE 120 CO 0.03 0.42 -0.22 -0.61 -3.07 0.00 0.00 178.15 174.70 2kwb h GLN 121 N 0.19 -0.59 -0.28 2.19 -0.00 -0.59 -0.78 115.11 115.25 2kwb h GLN 121 Ca 0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 2kwb h GLN 121 Cb 0.74 0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 2kwb h GLN 121 CO 0.06 -0.29 0.17 0.78 0.00 0.00 0.00 178.83 179.55 2kwb h GLY 122 N -0.84 0.40 0.89 2.39 0.00 -0.82 -1.03 103.07 104.07 2kwb h GLY 122 Ca -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2kwb h GLY 122 CO 0.10 0.15 -0.33 -0.25 0.00 0.00 0.00 176.54 176.21 2kwb h TRP 123 N 0.39 -0.86 -0.69 5.60 2.91 -1.07 -2.65 115.95 119.59 2kwb h TRP 123 Ca 0.10 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.05 2kwb h TRP 123 Cb -0.02 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 2kwb h TRP 123 CO 0.00 -0.50 0.22 -0.39 -1.03 0.00 0.00 178.44 176.74 2kwb h VAL 124 N -1.05 1.25 -0.70 2.65 -1.51 -0.92 0.33 116.25 116.30 2kwb h VAL 124 Ca -0.09 -0.85 0.08 0.00 -1.23 0.00 0.00 66.70 64.61 2kwb h VAL 124 Cb 0.74 0.48 -0.07 0.00 -2.13 0.00 0.00 31.29 30.31 2kwb h VAL 124 CO 0.15 0.33 0.36 0.58 -1.23 0.00 0.00 177.57 177.77 2kwb h VAL 125 N 1.01 0.89 -0.01 7.19 2.07 -1.23 0.27 116.25 126.44 2kwb h VAL 125 Ca 0.22 -0.22 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 2kwb h VAL 125 Cb 0.27 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2kwb h VAL 125 CO -0.01 0.12 -0.92 0.28 0.02 0.00 0.00 177.57 177.05 2kwb h SER 126 N 0.63 0.55 0.36 0.57 0.02 -1.08 -3.26 113.55 111.33 2kwb h SER 126 Ca 0.33 -0.43 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2kwb h SER 126 Cb 0.30 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2kwb h SER 126 CO -0.24 1.23 -0.29 0.25 -1.14 0.00 0.00 176.83 176.64 2kwb h LEU 127 N 0.25 0.00 -1.13 5.07 5.85 0.44 -2.31 115.31 123.48 2kwb h LEU 127 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2kwb h LEU 127 Cb 1.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.58 2kwb h LEU 127 CO 0.16 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.73 2kwb n LEU 128 N -4.04 1.71 -4.56 2.25 4.77 0.88 -4.78 117.00 113.23 2kwb n LEU 128 Ca -0.02 -0.70 -0.19 0.00 -0.03 0.00 0.00 56.01 55.07 2kwb n LEU 128 Cb 0.35 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2kwb n LEU 128 CO 0.37 0.35 1.45 0.00 -1.33 0.00 0.00 177.39 178.22 2kwb n ALA 129 N 0.35 0.46 0.42 -1.18 0.00 -0.87 -4.78 120.51 114.90 2kwb n ALA 129 Ca 0.16 -1.27 0.05 0.00 0.00 0.00 0.00 53.44 52.39 2kwb n ALA 129 Cb 0.34 -3.25 0.24 0.00 0.00 0.00 0.00 19.45 16.77 2kwb n ALA 129 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kwb n LYS 130 N 8.83 0.07 -0.04 0.00 2.85 -1.26 -0.59 118.16 128.01 2kwb n LYS 130 Ca 0.45 0.26 -0.14 0.00 -1.05 0.00 0.00 58.31 57.83 2kwb n LYS 130 Cb 0.46 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.25 2kwb n LYS 130 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2kwb h ASP 131 N 0.00 0.36 0.00 -5.58 3.32 -1.99 -3.34 116.42 109.19 2kwb h ASP 131 Ca 0.00 -0.56 -0.24 0.00 0.02 0.00 0.00 57.03 56.25 2kwb h ASP 131 Cb 0.14 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2kwb h ASP 131 CO 0.00 0.85 -1.78 0.54 -1.72 0.00 0.00 179.24 177.13 2kwb n ARG 132 N -4.52 0.31 0.00 3.56 1.74 -1.01 -4.66 116.66 112.08 2kwb n ARG 132 Ca -0.07 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 2kwb n ARG 132 Cb 0.42 -1.03 0.28 0.00 -1.02 0.00 0.00 32.46 31.11 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kwb n PHE 133 N -3.68 0.00 0.21 -1.55 3.01 0.24 -2.17 117.46 113.51 2kwb n PHE 133 Ca -0.28 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.28 2kwb n PHE 133 Cb 0.69 -0.38 0.50 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 -1.38 0.13 -0.58 -1.08 4.81 -1.24 -1.70 118.16 117.12 2kwb n LYS 134 Ca 0.05 0.57 0.05 0.00 -0.87 0.00 0.00 58.31 58.10 2kwb n LYS 134 Cb 0.11 -1.88 0.27 0.00 0.02 0.00 0.00 35.03 33.56 2kwb n LYS 134 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kwb n ASN 135 N -2.15 4.09 -4.85 3.14 3.02 -0.92 -4.84 115.26 112.75 2kwb n ASN 135 Ca -0.00 -2.59 -0.34 0.00 -0.03 0.00 0.00 54.58 51.62 2kwb n ASN 135 Cb 0.08 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 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 -1.80 4.23 -0.25 3.41 1.43 -0.69 -4.87 118.68 120.14 2kwb s LEU 136 Ca 0.36 1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 54.55 2kwb s LEU 136 Cb 0.27 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2kwb s LEU 136 CO 0.11 -0.03 0.04 0.00 0.23 0.00 0.00 176.35 176.70 2kwb s ALA 137 N -1.68 3.03 -0.49 4.21 0.00 -1.08 -4.68 121.76 121.07 2kwb s ALA 137 Ca 0.45 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.02 2kwb s ALA 137 Cb -0.13 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.07 2kwb s ALA 137 CO 0.20 -0.55 0.58 -0.06 0.00 0.00 0.00 175.76 175.92 2kwb s PHE 138 N 1.55 3.09 -0.11 0.00 0.08 -0.02 -0.72 117.98 121.85 2kwb s PHE 138 Ca 0.05 -0.53 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 2kwb s PHE 138 Cb -0.15 -3.40 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 2kwb s PHE 138 CO 0.01 -0.95 0.36 -0.06 -0.10 0.00 0.00 175.22 174.48 2kwb s PHE 139 N 2.46 3.54 0.09 0.36 0.40 0.40 -0.08 117.98 125.16 2kwb s PHE 139 Ca 0.14 0.77 0.08 0.00 -0.60 0.00 0.00 56.93 57.32 2kwb s PHE 139 Cb -0.19 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 2kwb s PHE 139 CO 0.12 0.34 -0.21 -1.50 0.70 0.00 0.00 175.22 174.66 2kwb s ILE 140 N 0.09 1.74 0.36 0.64 1.10 -0.85 -0.40 121.20 123.87 2kwb s ILE 140 Ca 0.21 -1.49 -0.26 0.00 -0.51 0.00 0.00 60.65 58.59 2kwb s ILE 140 Cb -0.14 -1.56 -0.12 0.00 0.15 0.00 0.00 42.46 40.78 2kwb s ILE 140 CO 0.08 -0.00 1.08 0.61 -2.11 0.00 0.00 174.94 174.60 2kwb n GLY 141 N 1.21 -0.01 0.40 1.50 0.00 -1.26 -1.17 105.19 105.85 2kwb n GLY 141 Ca -0.19 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 1.95 -0.39 0.00 1.61 4.22 -1.80 0.20 114.58 120.37 2kwb h GLU 142 Ca -0.43 0.03 -0.17 0.00 0.08 0.00 0.00 59.36 58.87 2kwb h GLU 142 Cb 1.32 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 2kwb h GLU 142 CO 0.59 -0.26 -0.80 -0.09 -2.18 0.00 0.00 179.01 176.28 2kwb h ARG 143 N -0.40 0.00 -0.32 1.92 1.12 -1.90 -3.31 114.38 111.48 2kwb h ARG 143 Ca 0.11 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.92 2kwb h ARG 143 Cb 0.60 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.55 2kwb h ARG 143 CO -0.50 0.80 -0.04 0.00 -3.11 0.00 0.00 179.97 177.12 2kwb h ALA 144 N 1.20 1.34 -1.01 2.80 0.00 -1.51 -2.65 119.26 119.43 2kwb h ALA 144 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kwb h ALA 144 Cb 1.51 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2kwb h ALA 144 CO 0.10 0.45 0.65 0.00 0.00 0.00 0.00 179.25 180.46 2kwb h ALA 145 N 1.48 1.39 0.00 0.00 0.00 -0.75 0.40 119.26 121.79 2kwb h ALA 145 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2kwb h ALA 145 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kwb h ALA 145 CO 0.02 0.45 -0.41 1.49 0.00 0.00 0.00 179.25 180.80 2kwb h GLU 146 N 1.18 0.00 0.10 0.00 4.57 -1.66 -3.25 114.58 115.52 2kwb h GLU 146 Ca 0.43 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.43 2kwb h GLU 146 Cb 0.16 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2kwb h GLU 146 CO -0.17 0.41 -0.78 0.78 -1.18 0.00 0.00 179.01 178.07 2kwb h GLY 147 N 1.81 0.40 0.00 1.92 0.00 -1.03 -3.47 103.07 102.70 2kwb h GLY 147 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2kwb h GLY 147 CO 0.05 0.79 0.00 0.00 0.00 0.00 0.00 176.54 177.38 2kwb n ALA 148 N -2.64 0.00 -0.96 3.60 0.00 -0.01 -4.66 120.51 115.84 2kwb n ALA 148 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2kwb n ALA 148 Cb 0.79 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 19.41 2kwb n ALA 148 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kwb n GLU 149 N -1.54 0.86 -3.18 0.00 0.28 -1.26 -4.96 120.64 110.84 2kwb n GLU 149 Ca 0.00 -1.06 -0.13 0.00 -0.16 0.00 0.00 57.16 55.81 2kwb n GLU 149 Cb 0.09 -0.73 -0.05 0.00 1.43 0.00 0.00 31.44 32.18 2kwb n GLU 149 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2kwb s ASN 150 N -0.74 0.14 0.00 -1.84 3.84 -1.26 -4.77 114.94 110.31 2kwb s ASN 150 Ca 0.03 -1.87 0.00 0.00 0.21 0.00 0.00 52.86 51.24 2kwb s ASN 150 Cb 0.03 0.89 0.00 0.00 -0.55 0.00 0.00 41.25 41.62 2kwb s ASN 150 CO 0.00 -0.17 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 2kwb n GLY 151 N 3.58 3.58 3.80 1.21 0.00 -1.26 -4.67 105.19 111.43 2kwb n GLY 151 Ca 0.17 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2kwb n GLY 151 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kwb s GLN 152 N -0.69 4.38 -0.24 1.61 -0.44 -1.26 -5.03 119.66 117.99 2kwb s GLN 152 Ca 0.00 0.98 -0.29 0.00 -2.50 0.00 0.00 55.36 53.55 2kwb s GLN 152 Cb 0.00 -3.08 -0.00 0.00 -1.64 0.00 0.00 33.01 28.29 2kwb s GLN 152 CO 0.00 0.50 1.27 0.08 0.50 0.00 0.00 175.29 177.63 2kwb s VAL 153 N -1.32 4.23 -0.76 1.34 1.01 -1.26 -4.79 120.40 118.85 2kwb s VAL 153 Ca 0.38 1.44 -0.26 0.00 0.00 0.00 0.00 61.98 63.54 2kwb s VAL 153 Cb -0.20 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.11 2kwb s VAL 153 CO 0.23 -0.32 1.27 0.00 0.00 0.00 0.00 175.10 176.27 2kwb s ALA 154 N 3.96 2.78 -0.31 5.51 0.00 0.46 -4.80 121.76 129.37 2kwb s ALA 154 Ca 0.55 -1.51 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 2kwb s ALA 154 Cb -0.18 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2kwb s ALA 154 CO 0.19 -3.27 0.82 0.42 0.00 0.00 0.00 175.76 173.91 2kwb s ILE 155 N 5.49 4.77 -0.33 0.00 1.01 -1.00 -0.46 121.20 130.67 2kwb s ILE 155 Ca 0.35 1.23 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 2kwb s ILE 155 Cb -0.08 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 2kwb s ILE 155 CO 0.12 -0.27 0.25 -0.63 0.00 0.00 0.00 174.94 174.41 2kwb s ILE 156 N 3.02 5.27 -0.02 2.92 -1.09 0.10 -0.39 121.20 131.01 2kwb s ILE 156 Ca 0.34 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.61 2kwb s ILE 156 Cb -0.14 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2kwb s ILE 156 CO 0.13 0.01 0.08 -0.70 -1.23 0.00 0.00 174.94 173.23 2kwb s GLU 157 N 1.77 3.11 -1.00 2.79 2.12 -0.50 -2.65 118.70 124.35 2kwb s GLU 157 Ca 0.07 -0.44 -0.20 0.00 0.36 0.00 0.00 54.97 54.77 2kwb s GLU 157 Cb -0.17 -2.89 0.10 0.00 0.26 0.00 0.00 34.13 31.43 2kwb s GLU 157 CO 0.11 0.67 1.29 1.52 -0.54 0.00 0.00 175.26 178.30 2kwb s TYR 158 N -1.15 2.93 0.15 5.30 1.13 -1.26 -0.18 117.35 124.27 2kwb s TYR 158 Ca 0.21 -1.27 0.03 0.00 -1.41 0.00 0.00 57.07 54.63 2kwb s TYR 158 Cb -0.12 -4.45 -0.04 0.00 -1.10 0.00 0.00 41.96 36.26 2kwb s TYR 158 CO 0.12 -1.65 0.28 0.50 -2.51 0.00 0.00 175.55 172.28 2kwb s ARG 159 N 3.46 3.41 0.08 -3.49 3.52 -0.30 -4.90 118.95 120.73 2kwb s ARG 159 Ca 0.39 -0.61 -0.16 0.00 -0.13 0.00 0.00 55.73 55.22 2kwb s ARG 159 Cb -0.03 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 2kwb s ARG 159 CO -0.08 0.52 0.51 0.16 -0.81 0.00 0.00 175.30 175.60 2kwb s ASP 160 N -3.22 6.88 -0.45 -2.12 -4.77 -1.26 -0.25 116.67 111.48 2kwb s ASP 160 Ca 0.34 1.09 0.02 0.00 -3.30 0.00 0.00 52.55 50.70 2kwb s ASP 160 Cb -0.11 -2.29 0.14 0.00 -1.09 0.00 0.00 42.92 39.56 2kwb s ASP 160 CO 0.28 0.22 0.25 -0.69 0.70 0.00 0.00 175.17 175.93 2kwb s VAL 161 N -1.26 1.47 -1.17 2.11 1.01 0.36 -4.88 120.40 118.05 2kwb s VAL 161 Ca 0.31 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.65 2kwb s VAL 161 Cb -0.17 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2kwb s VAL 161 CO 0.18 -0.90 0.00 0.47 0.00 0.00 0.00 175.10 174.84 2kwb n ASP 162 N 3.46 -3.63 0.00 3.32 9.92 -1.26 -1.45 116.55 126.91 2kwb n ASP 162 Ca 0.09 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 2kwb n ASP 162 Cb 0.35 -3.22 0.00 0.00 -0.64 0.00 0.00 41.12 37.61 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kwb n GLY 163 N -0.55 3.22 3.62 0.44 0.00 -1.26 -5.10 105.19 105.56 2kwb n GLY 163 Ca -0.14 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.12 4.94 -0.33 2.61 -4.23 -0.53 -5.03 115.64 112.96 2kwb s THR 164 Ca 0.00 1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 61.38 2kwb s THR 164 Cb 0.00 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.86 2kwb s THR 164 CO 0.00 -0.03 1.27 -1.83 -0.54 0.00 0.00 174.62 173.49 2kwb s GLU 165 N 2.60 3.89 -0.03 3.99 -1.05 -1.26 -0.49 118.70 126.35 2kwb s GLU 165 Ca 0.28 1.14 0.05 0.00 -0.15 0.00 0.00 54.97 56.28 2kwb s GLU 165 Cb -0.15 -3.88 -0.01 0.00 -0.44 0.00 0.00 34.13 29.65 2kwb s GLU 165 CO 0.09 -1.16 -0.18 0.14 0.95 0.00 0.00 175.26 175.10 2kwb s VAL 166 N 4.39 1.46 -0.22 1.83 -7.23 0.65 -4.96 120.40 116.33 2kwb s VAL 166 Ca 0.55 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 2kwb s VAL 166 Cb -0.15 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 2kwb s VAL 166 CO 0.24 0.42 1.51 -2.84 -0.31 0.00 0.00 175.10 174.11 2kwb s PRO 167 N -0.26 3.91 -0.06 4.82 0.02 -1.26 -1.15 135.00 141.01 2kwb s PRO 167 Ca 0.03 1.62 -0.12 0.00 0.02 0.00 0.00 61.00 62.56 2kwb s PRO 167 Cb -0.09 -3.97 -0.05 0.00 0.02 0.00 0.00 34.50 30.42 2kwb s PRO 167 CO 0.00 -1.15 0.30 0.95 -0.33 0.00 0.00 177.00 176.77 2kwb s THR 168 N 4.72 5.24 -0.31 0.99 -4.23 0.75 -4.39 115.64 118.40 2kwb s THR 168 Ca 0.66 0.57 -0.21 0.00 -1.18 0.00 0.00 61.69 61.54 2kwb s THR 168 Cb -0.24 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 2kwb s THR 168 CO 0.26 0.57 0.68 -0.22 -0.54 0.00 0.00 174.62 175.38 2kwb s LEU 169 N -0.89 4.13 -0.24 4.79 2.96 0.21 -1.41 118.68 128.24 2kwb s LEU 169 Ca 0.20 0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 54.51 2kwb s LEU 169 Cb -0.15 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 2kwb s LEU 169 CO 0.09 -0.52 0.14 -0.04 -1.32 0.00 0.00 176.35 174.69 2kwb s MET 170 N 2.72 3.99 -0.07 1.98 -1.94 0.48 -2.24 119.30 124.21 2kwb s MET 170 Ca 0.27 -0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 53.93 2kwb s MET 170 Cb -0.15 -3.48 0.03 0.00 2.01 0.00 0.00 34.83 33.24 2kwb s MET 170 CO 0.12 0.03 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.62 2kwb s LEU 171 N 1.13 0.89 -0.10 -0.03 1.43 -1.00 -2.37 118.68 118.62 2kwb s LEU 171 Ca 0.07 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 2kwb s LEU 171 Cb -0.14 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2kwb s LEU 171 CO 0.05 -0.15 1.61 -0.69 0.23 0.00 0.00 176.35 177.40 2kwb s VAL 172 N 1.68 3.68 0.39 -1.59 1.01 -1.26 -0.05 120.40 124.25 2kwb s VAL 172 Ca 0.01 0.81 0.28 0.00 0.00 0.00 0.00 61.98 63.09 2kwb s VAL 172 Cb -0.13 -3.56 0.30 0.00 0.00 0.00 0.00 36.38 32.99 2kwb s VAL 172 CO -0.05 -0.11 2.06 0.50 0.00 0.00 0.00 175.10 177.50 2kwb h LYS 173 N 9.66 0.00 -0.01 2.72 3.11 -1.27 -1.10 116.57 129.67 2kwb h LYS 173 Ca -0.37 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 2kwb h LYS 173 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2kwb h LYS 173 CO 0.96 0.12 -0.17 -1.91 -2.81 0.00 0.00 179.45 175.64 2kwb n GLU 174 N -3.56 1.19 -0.11 1.90 4.07 -1.26 -3.97 120.64 118.91 2kwb n GLU 174 Ca -0.02 -0.72 -0.23 0.00 -0.06 0.00 0.00 57.16 56.13 2kwb n GLU 174 Cb 0.25 -1.48 -0.12 0.00 -0.06 0.00 0.00 31.44 30.03 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kwb n ALA 175 N -0.27 1.19 -3.82 4.31 0.00 -0.51 -4.78 120.51 116.64 2kwb n ALA 175 Ca 0.15 -0.94 -0.34 0.00 0.00 0.00 0.00 53.44 52.31 2kwb n ALA 175 Cb 0.36 -0.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.48 2kwb n ALA 175 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kwb s ILE 176 N -2.51 2.67 -0.03 0.00 -4.36 -0.68 -0.36 121.20 115.93 2kwb s ILE 176 Ca -0.33 -1.53 -0.14 0.00 -0.26 0.00 0.00 60.65 58.40 2kwb s ILE 176 Cb 0.10 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 2kwb s ILE 176 CO 0.60 -0.11 0.36 -0.51 0.24 0.00 0.00 174.94 175.52 2kwb s ILE 177 N 1.18 5.13 0.15 8.37 1.10 -0.05 -4.56 121.20 132.51 2kwb s ILE 177 Ca -0.06 0.73 0.04 0.00 -0.51 0.00 0.00 60.65 60.86 2kwb s ILE 177 Cb -0.20 -3.66 -0.04 0.00 0.15 0.00 0.00 42.46 38.71 2kwb s ILE 177 CO -0.03 0.56 0.14 -1.83 -2.11 0.00 0.00 174.94 171.67 2kwb s GLU 178 N -0.89 2.96 -0.29 3.50 4.04 -1.26 -1.65 118.70 125.10 2kwb s GLU 178 Ca 0.22 -0.80 -0.04 0.00 0.04 0.00 0.00 54.97 54.39 2kwb s GLU 178 Cb -0.16 -2.70 0.10 0.00 0.02 0.00 0.00 34.13 31.40 2kwb s GLU 178 CO 0.11 0.51 0.13 -2.00 -1.84 0.00 0.00 175.26 172.17 2kwb s GLU 179 N -2.98 0.20 -0.17 -4.83 2.12 0.12 -4.98 118.70 108.19 2kwb s GLU 179 Ca 0.31 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.02 2kwb s GLU 179 Cb -0.11 -1.16 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 2kwb s GLU 179 CO 0.24 -1.02 0.09 -1.59 -0.54 0.00 0.00 175.26 172.43 2kwb s LYS 180 N 2.08 3.87 -0.49 4.30 -2.85 -1.26 -0.93 119.74 124.45 2kwb s LYS 180 Ca 0.09 -0.28 0.03 0.00 -1.00 0.00 0.00 55.97 54.82 2kwb s LYS 180 Cb -0.16 -3.23 0.14 0.00 -2.06 0.00 0.00 37.83 32.51 2kwb s LYS 180 CO -0.36 0.40 0.27 0.00 0.10 0.00 0.00 175.35 175.76 2kwb s LEU 182 N -0.07 4.00 0.00 0.00 2.01 -1.26 -0.75 118.68 122.62 2kwb s LEU 182 Ca 0.18 -1.79 0.29 0.00 0.01 0.00 0.00 54.13 52.83 2kwb s LEU 182 Cb -0.23 -1.53 1.32 0.00 0.01 0.00 0.00 46.19 45.77 2kwb s LEU 182 CO -0.02 -0.30 1.90 1.21 1.01 0.00 0.00 176.35 180.15