#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 3.44 -0.18 3.17 2.96 -0.71 -2.53 118.68 124.84 2kwb s LEU 2 Ca 0.00 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2kwb s LEU 2 Cb 0.00 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2kwb s LEU 2 CO 0.00 0.15 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.51 2kwb s ILE 3 N 0.47 3.65 0.06 6.68 1.01 -0.34 -0.48 121.20 132.25 2kwb s ILE 3 Ca -0.01 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2kwb s ILE 3 Cb -0.14 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2kwb s ILE 3 CO 0.02 0.46 -0.22 -0.72 0.00 0.00 0.00 174.94 174.48 2kwb s TYR 4 N 0.79 1.95 -0.06 3.97 1.13 0.36 0.03 117.35 125.52 2kwb s TYR 4 Ca -0.02 -0.39 0.02 0.00 -1.41 0.00 0.00 57.07 55.28 2kwb s TYR 4 Cb -0.15 -1.15 0.01 0.00 -1.10 0.00 0.00 41.96 39.58 2kwb s TYR 4 CO 0.02 0.13 -0.11 -1.59 -2.51 0.00 0.00 175.55 171.48 2kwb s LYS 5 N -1.34 1.59 1.13 -3.49 -2.85 -0.99 -2.01 119.74 111.77 2kwb s LYS 5 Ca 0.09 -0.38 -0.18 0.00 -1.00 0.00 0.00 55.97 54.49 2kwb s LYS 5 Cb -0.09 -1.33 0.26 0.00 -2.06 0.00 0.00 37.83 34.61 2kwb s LYS 5 CO 0.02 0.03 1.18 -0.51 0.10 0.00 0.00 175.35 176.17 2kwb s ASP 6 N 0.65 1.57 0.15 0.03 1.11 -1.26 -0.65 116.67 118.26 2kwb s ASP 6 Ca -0.14 0.50 -0.12 0.00 0.18 0.00 0.00 52.55 52.97 2kwb s ASP 6 Cb -0.15 -0.67 0.01 0.00 1.07 0.00 0.00 42.92 43.19 2kwb s ASP 6 CO 0.03 -3.71 1.59 0.40 1.18 0.00 0.00 175.17 174.66 2kwb h ILE 7 N -2.30 1.27 0.00 0.77 2.04 -1.67 -3.18 117.51 114.44 2kwb h ILE 7 Ca -0.44 -1.13 -0.26 0.00 1.00 0.00 0.00 64.86 64.03 2kwb h ILE 7 Cb 1.27 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2kwb h ILE 7 CO 0.35 0.39 -1.97 0.49 0.00 0.00 0.00 178.15 177.41 2kwb n PHE 8 N -4.30 0.00 0.05 1.37 3.72 -1.26 -4.54 117.46 112.51 2kwb n PHE 8 Ca 0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2kwb n PHE 8 Cb 0.34 -0.69 0.25 0.00 -0.94 0.00 0.00 39.48 38.44 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2kwb n THR 9 N -2.65 1.28 0.29 4.37 -1.04 -1.26 -4.47 114.28 110.80 2kwb n THR 9 Ca -0.25 -0.81 0.14 0.00 -2.04 0.00 0.00 64.05 61.09 2kwb n THR 9 Cb 0.92 -0.01 0.86 0.00 -1.82 0.00 0.00 70.33 70.29 2kwb n THR 9 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2kwb h ASP 10 N 2.83 0.00 0.77 8.00 2.03 -1.79 -1.54 116.42 126.72 2kwb h ASP 10 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kwb h ASP 10 Cb 1.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2kwb h ASP 10 CO 0.17 0.01 0.00 0.44 -1.03 0.00 0.00 179.24 178.83 2kwb h ASP 11 N 0.00 0.00 0.55 4.15 3.32 -1.90 -3.15 116.42 119.39 2kwb h ASP 11 Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2kwb h ASP 11 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2kwb h ASP 11 CO 0.00 0.00 -1.51 -0.33 -1.72 0.00 0.00 179.24 175.68 2kwb h GLU 12 N 0.00 0.12 -5.23 3.56 4.39 -1.64 -3.50 114.58 112.28 2kwb h GLU 12 Ca 0.00 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2kwb h GLU 12 Cb 0.39 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.01 2kwb h GLU 12 CO 0.00 0.90 -1.30 1.28 -1.16 0.00 0.00 179.01 178.73 2kwb n LEU 13 N -3.31 -6.04 -4.66 1.33 7.99 -1.19 -4.97 117.00 106.15 2kwb n LEU 13 Ca -0.14 2.01 -0.38 0.00 -0.01 0.00 0.00 56.01 57.49 2kwb n LEU 13 Cb 1.03 -3.00 -0.08 0.00 -0.11 0.00 0.00 43.42 41.26 2kwb n LEU 13 CO 0.47 -3.77 0.04 -0.44 -1.51 0.00 0.00 177.39 172.18 2kwb s SER 14 N -0.65 6.35 -0.32 -1.43 0.01 -0.85 -4.95 113.70 111.86 2kwb s SER 14 Ca -0.22 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.47 2kwb s SER 14 Cb 0.01 -2.20 0.08 0.00 0.21 0.00 0.00 66.02 64.13 2kwb s SER 14 CO 0.66 -0.06 0.02 -0.94 0.41 0.00 0.00 173.24 173.32 2kwb s SER 15 N 1.11 4.75 0.11 2.44 1.04 -1.26 -0.49 113.70 121.40 2kwb s SER 15 Ca 0.16 -1.84 0.01 0.00 0.48 0.00 0.00 55.95 54.77 2kwb s SER 15 Cb -0.15 -1.64 -0.00 0.00 0.10 0.00 0.00 66.02 64.33 2kwb s SER 15 CO 0.07 -0.33 0.05 0.47 0.98 0.00 0.00 173.24 174.48 2kwb n ASP 16 N 4.38 0.79 -0.38 7.02 8.00 0.37 -4.84 116.55 131.89 2kwb n ASP 16 Ca -0.04 -1.58 0.01 0.00 0.71 0.00 0.00 54.79 53.89 2kwb n ASP 16 Cb 0.42 0.31 0.01 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.06 0.18 -4.77 -2.24 3.41 -1.26 -1.73 113.62 105.15 2kwb n SER 17 Ca -0.01 -1.89 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 2kwb n SER 17 Cb 0.16 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.20 3.19 0.36 7.33 0.08 -1.26 -4.99 117.98 122.49 2kwb s PHE 18 Ca 0.02 1.50 -0.26 0.00 0.12 0.00 0.00 56.93 58.31 2kwb s PHE 18 Cb 0.02 -3.56 -0.09 0.00 -0.57 0.00 0.00 43.02 38.82 2kwb s PHE 18 CO 0.00 -1.47 1.11 -1.25 -0.10 0.00 0.00 175.22 173.51 2kwb s PRO 19 N -1.74 4.29 -0.10 0.24 0.04 -1.26 -5.06 135.00 131.40 2kwb s PRO 19 Ca 0.48 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 2kwb s PRO 19 Cb -0.37 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2kwb s PRO 19 CO 0.49 -0.09 0.27 0.00 0.04 0.00 0.00 177.00 177.71 2kwb s MET 20 N -2.07 0.29 0.21 4.56 0.23 -1.26 -4.95 119.30 116.30 2kwb s MET 20 Ca 0.53 0.41 0.08 0.00 -1.03 0.00 0.00 55.69 55.69 2kwb s MET 20 Cb -0.29 0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 33.06 2kwb s MET 20 CO 0.36 -0.07 -0.02 0.15 -2.03 0.00 0.00 175.02 173.42 2kwb s LYS 21 N 0.40 2.30 -0.30 3.16 1.02 -1.26 -5.03 119.74 120.03 2kwb s LYS 21 Ca -0.02 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 54.76 2kwb s LYS 21 Cb -0.04 -2.25 0.08 0.00 -0.52 0.00 0.00 37.83 35.10 2kwb s LYS 21 CO -0.02 0.42 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.65 2kwb s LEU 22 N -3.16 3.94 0.19 3.17 2.96 -1.26 -1.43 118.68 123.09 2kwb s LEU 22 Ca 0.28 -1.77 -0.17 0.00 -0.22 0.00 0.00 54.13 52.25 2kwb s LEU 22 Cb -0.08 -1.51 -0.08 0.00 0.50 0.00 0.00 46.19 45.02 2kwb s LEU 22 CO 0.18 -0.30 0.65 0.54 -1.32 0.00 0.00 176.35 176.10 2kwb s VAL 23 N 1.06 4.70 -0.50 1.68 0.11 0.23 -3.88 120.40 123.80 2kwb s VAL 23 Ca 0.02 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 2kwb s VAL 23 Cb -0.19 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2kwb s VAL 23 CO -0.08 0.21 0.00 0.47 -3.33 0.00 0.00 175.10 172.37 2kwb n ASP 24 N 0.71 -4.90 -2.41 3.54 8.00 -1.26 -1.67 116.55 118.56 2kwb n ASP 24 Ca -0.03 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 2kwb n ASP 24 Cb 0.51 -3.31 -0.01 0.00 -0.02 0.00 0.00 41.12 38.30 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kwb n ASP 25 N -0.51 -3.63 0.00 -2.24 8.00 -1.25 -4.76 116.55 112.15 2kwb n ASP 25 Ca -0.05 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2kwb n ASP 25 Cb 0.46 -3.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kwb n LEU 26 N -2.75 0.27 -4.17 0.64 7.94 -0.67 -4.97 117.00 113.30 2kwb n LEU 26 Ca -0.13 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.55 2kwb n LEU 26 Cb 0.59 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.41 2kwb n LEU 26 CO 0.16 -0.09 -0.48 0.68 -1.11 0.00 0.00 177.39 176.54 2kwb s VAL 27 N -1.96 1.25 0.16 1.96 -7.23 -1.03 -1.10 120.40 112.45 2kwb s VAL 27 Ca 0.00 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.94 2kwb s VAL 27 Cb 0.00 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.75 2kwb s VAL 27 CO 0.00 0.09 0.72 -0.31 -0.31 0.00 0.00 175.10 175.29 2kwb s TYR 28 N -0.78 3.83 -0.19 2.82 2.02 0.69 -0.60 117.35 125.13 2kwb s TYR 28 Ca 0.04 1.50 -0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2kwb s TYR 28 Cb -0.08 -2.68 0.05 0.00 -0.40 0.00 0.00 41.96 38.86 2kwb s TYR 28 CO 0.01 0.49 -0.01 -1.83 -1.57 0.00 0.00 175.55 172.64 2kwb s GLU 29 N -1.34 1.08 -0.13 -0.62 1.03 -0.51 -2.25 118.70 115.96 2kwb s GLU 29 Ca 0.36 -0.58 -0.13 0.00 0.03 0.00 0.00 54.97 54.65 2kwb s GLU 29 Cb -0.21 -2.17 0.04 0.00 -0.80 0.00 0.00 34.13 30.98 2kwb s GLU 29 CO 0.23 -0.57 0.37 -0.59 -1.33 0.00 0.00 175.26 173.38 2kwb s PHE 30 N 1.69 -0.39 -0.10 4.83 -0.71 -0.99 -4.30 117.98 118.01 2kwb s PHE 30 Ca -0.02 0.93 -0.15 0.00 -1.04 0.00 0.00 56.93 56.66 2kwb s PHE 30 Cb -0.17 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 2kwb s PHE 30 CO -0.07 -0.22 0.36 0.21 -1.34 0.00 0.00 175.22 174.16 2kwb s LYS 31 N 0.02 4.12 0.00 1.99 2.20 -1.26 0.32 119.74 127.14 2kwb s LYS 31 Ca -0.02 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2kwb s LYS 31 Cb -0.03 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2kwb s LYS 31 CO 0.01 0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 2kwb n GLY 32 N 2.80 -0.51 3.70 5.54 0.00 -1.26 -5.02 105.19 110.45 2kwb n GLY 32 Ca -0.12 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 2kwb n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kwb s LYS 33 N -2.07 4.29 -0.50 1.61 2.47 -1.26 -4.81 119.74 119.48 2kwb s LYS 33 Ca 0.00 0.44 -0.28 0.00 -1.56 0.00 0.00 55.97 54.57 2kwb s LYS 33 Cb 0.00 -3.48 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 2kwb s LYS 33 CO 0.00 0.06 1.55 -1.58 0.16 0.00 0.00 175.35 175.53 2kwb s HIS 34 N 0.95 2.13 0.06 4.03 5.65 -1.26 -0.50 115.29 126.36 2kwb s HIS 34 Ca 0.25 0.59 0.01 0.00 0.25 0.00 0.00 55.06 56.16 2kwb s HIS 34 Cb -0.15 -4.29 -0.03 0.00 -1.18 0.00 0.00 32.58 26.93 2kwb s HIS 34 CO 0.10 -2.19 -0.06 0.14 -0.65 0.00 0.00 174.74 172.08 2kwb s VAL 35 N 6.52 0.47 -0.17 0.89 -7.23 -0.76 -4.99 120.40 115.13 2kwb s VAL 35 Ca 0.61 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2kwb s VAL 35 Cb -0.14 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.74 2kwb s VAL 35 CO 0.27 -0.68 -0.16 0.68 -0.31 0.00 0.00 175.10 174.90 2kwb s VAL 36 N -2.62 1.79 -0.17 1.32 -7.23 -1.26 -1.95 120.40 110.28 2kwb s VAL 36 Ca -0.00 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2kwb s VAL 36 Cb -0.02 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2kwb s VAL 36 CO -0.03 0.45 0.09 -0.60 -0.31 0.00 0.00 175.10 174.70 2kwb s ARG 37 N 1.39 3.84 0.28 4.82 3.52 -0.11 -2.23 118.95 130.46 2kwb s ARG 37 Ca 0.04 -0.27 0.12 0.00 -0.13 0.00 0.00 55.73 55.49 2kwb s ARG 37 Cb -0.13 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2kwb s ARG 37 CO -0.11 0.43 -0.19 0.21 -0.81 0.00 0.00 175.30 174.83 2kwb s LYS 38 N -0.04 1.67 -1.05 5.12 2.20 -0.87 -1.44 119.74 125.33 2kwb s LYS 38 Ca 0.08 -1.77 -0.25 0.00 -0.36 0.00 0.00 55.97 53.67 2kwb s LYS 38 Cb -0.12 -1.72 -0.15 0.00 -1.51 0.00 0.00 37.83 34.33 2kwb s LYS 38 CO 0.00 0.31 2.09 -2.00 -0.36 0.00 0.00 175.35 175.39 2kwb s GLU 39 N -3.53 1.78 0.00 4.03 2.56 -1.26 -3.16 118.70 119.12 2kwb s GLU 39 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 54.97 54.79 2kwb s GLU 39 Cb -0.04 -5.03 0.00 0.00 2.00 0.00 0.00 34.13 31.05 2kwb s GLU 39 CO 0.15 -4.66 0.00 0.41 -0.56 0.00 0.00 175.26 170.59 2kwb n GLY 40 N 6.24 0.98 3.51 -1.50 0.00 -1.26 -5.13 105.19 108.02 2kwb n GLY 40 Ca 0.43 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 2kwb n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kwb s GLU 41 N 0.00 1.96 -0.88 1.61 4.04 -1.19 -5.10 118.70 119.14 2kwb s GLU 41 Ca 0.00 -1.77 -0.22 0.00 0.04 0.00 0.00 54.97 53.02 2kwb s GLU 41 Cb 0.00 0.45 0.08 0.00 0.02 0.00 0.00 34.13 34.68 2kwb s GLU 41 CO 0.00 -0.82 1.22 -1.50 -1.84 0.00 0.00 175.26 172.32 2kwb s ILE 42 N -2.96 4.25 -0.09 1.83 1.10 -1.26 -2.06 121.20 122.01 2kwb s ILE 42 Ca 0.30 -0.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.65 2kwb s ILE 42 Cb -0.01 -4.87 0.08 0.00 0.15 0.00 0.00 42.46 37.81 2kwb s ILE 42 CO 0.21 -1.68 1.70 0.55 -2.11 0.00 0.00 174.94 173.60 2kwb n VAL 43 N 6.15 1.92 -1.74 4.00 3.14 -0.95 -4.95 118.33 125.90 2kwb n VAL 43 Ca 0.18 -0.66 -0.41 0.00 -2.96 0.00 0.00 64.34 60.50 2kwb n VAL 43 Cb 0.49 -1.26 0.01 0.00 -1.06 0.00 0.00 33.84 32.02 2kwb n VAL 43 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kwb n LEU 44 N 0.83 4.64 -4.05 6.55 -0.00 -1.23 -4.85 117.00 118.87 2kwb n LEU 44 Ca 0.09 1.14 -0.13 0.00 -0.00 0.00 0.00 56.01 57.12 2kwb n LEU 44 Cb 0.58 -1.57 -0.04 0.00 -0.00 0.00 0.00 43.42 42.38 2kwb n LEU 44 CO 0.11 -0.26 0.15 0.00 -0.00 0.00 0.00 177.39 177.39 2kwb s ALA 45 N -1.17 0.44 -0.02 1.47 0.00 -1.26 -5.03 121.76 116.18 2kwb s ALA 45 Ca 0.59 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2kwb s ALA 45 Cb -0.48 1.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2kwb s ALA 45 CO 0.59 -0.81 0.38 0.20 0.00 0.00 0.00 175.76 176.13 2kwb s GLY 46 N -3.17 2.44 -0.20 0.00 0.00 -1.26 -5.07 107.32 100.06 2kwb s GLY 46 Ca 0.28 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.53 2kwb s GLY 46 CO 0.16 0.13 0.57 -0.56 0.00 0.00 0.00 173.10 173.41 2kwb s SER 47 N -0.96 -0.59 0.26 1.64 0.01 -1.26 -5.15 113.70 107.64 2kwb s SER 47 Ca 0.23 1.09 -0.30 0.00 1.31 0.00 0.00 55.95 58.28 2kwb s SER 47 Cb -0.16 1.10 -0.09 0.00 0.21 0.00 0.00 66.02 67.07 2kwb s SER 47 CO 0.12 -0.24 1.25 0.20 0.41 0.00 0.00 173.24 174.98 2kwb s ASN 48 N 0.13 6.97 -0.75 2.44 -0.87 -1.26 -4.93 114.94 116.67 2kwb s ASN 48 Ca -0.01 2.44 -0.26 0.00 -1.57 0.00 0.00 52.86 53.46 2kwb s ASN 48 Cb -0.04 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.25 38.47 2kwb s ASN 48 CO 0.02 -0.42 2.24 -2.84 -2.57 0.00 0.00 177.10 173.53 2kwb s PRO 49 N -0.94 2.01 -0.81 -0.60 0.02 -1.26 -4.87 135.00 128.55 2kwb s PRO 49 Ca 0.51 0.46 -0.26 0.00 0.02 0.00 0.00 61.00 61.74 2kwb s PRO 49 Cb -0.36 -4.78 -0.12 0.00 0.02 0.00 0.00 34.50 29.26 2kwb s PRO 49 CO 0.43 -3.83 2.31 -1.12 -0.33 0.00 0.00 177.00 174.46 2kwb s SER 50 N 10.15 4.14 -0.15 2.53 0.01 -1.26 -4.72 113.70 124.41 2kwb s SER 50 Ca 0.85 -0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.92 2kwb s SER 50 Cb -0.12 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2kwb s SER 50 CO 0.10 -3.65 -0.10 0.00 0.41 0.00 0.00 173.24 169.99 2kwb h ALA 51 N 12.44 0.04 -0.10 1.44 0.00 -2.01 -3.40 119.26 127.66 2kwb h ALA 51 Ca 0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 2kwb h ALA 51 Cb 1.00 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2kwb h ALA 51 CO 1.05 0.49 -0.59 0.93 0.00 0.00 0.00 179.25 181.13 2kwb h GLU 52 N -1.00 0.31 -2.44 0.00 3.07 -2.02 -3.33 114.58 109.16 2kwb h GLU 52 Ca -0.05 -0.21 -0.44 0.00 -0.50 0.00 0.00 59.36 58.16 2kwb h GLU 52 Cb 0.58 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 2kwb h GLU 52 CO -0.03 0.81 1.57 0.39 -1.40 0.00 0.00 179.01 180.35 2kwb n GLU 53 N -3.90 2.90 0.12 2.33 4.71 -1.26 -4.65 120.64 120.88 2kwb n GLU 53 Ca -0.03 -1.75 0.05 0.00 -0.01 0.00 0.00 57.16 55.42 2kwb n GLU 53 Cb 0.61 -2.38 0.47 0.00 -1.01 0.00 0.00 31.44 29.14 2kwb n GLU 53 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2kwb h GLY 54 N 5.76 0.30 -3.05 0.62 0.00 -1.80 -2.62 103.07 102.27 2kwb h GLY 54 Ca 0.52 -0.13 -0.34 0.00 0.00 0.00 0.00 47.33 47.37 2kwb h GLY 54 CO 0.99 0.13 0.29 0.00 0.00 0.00 0.00 176.54 177.95 2kwb n ALA 55 N -2.50 4.94 -1.31 3.60 0.00 -1.26 -4.80 120.51 119.18 2kwb n ALA 55 Ca -0.00 -2.98 -0.38 0.00 0.00 0.00 0.00 53.44 50.07 2kwb n ALA 55 Cb 0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 2kwb n ALA 55 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kwb n GLU 56 N -1.09 3.54 -1.06 0.00 4.07 -0.99 -4.57 120.64 120.54 2kwb n GLU 56 Ca 0.46 -2.18 -0.06 0.00 -0.06 0.00 0.00 57.16 55.32 2kwb n GLU 56 Cb 1.36 -2.82 -0.02 0.00 -0.06 0.00 0.00 31.44 29.90 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kwb n ASP 57 N 3.82 -4.97 -4.08 4.31 8.00 -1.26 -4.86 116.55 117.51 2kwb n ASP 57 Ca 0.75 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.96 2kwb n ASP 57 Cb 0.24 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 2kwb n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kwb n ASP 58 N -0.60 4.57 -1.34 -2.24 2.03 -1.26 -4.64 116.55 113.06 2kwb n ASP 58 Ca -0.06 -2.93 0.08 0.00 0.52 0.00 0.00 54.79 52.40 2kwb n ASP 58 Cb 0.48 -1.64 0.33 0.00 -0.72 0.00 0.00 41.12 39.56 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 59 N 4.22 3.58 2.71 0.27 0.00 -1.26 -4.95 105.19 109.75 2kwb n GLY 59 Ca 0.47 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -5.42 0.17 1.61 7.64 -1.26 -4.82 113.62 111.53 2kwb n SER 60 Ca 0.24 0.28 0.02 0.00 1.01 0.00 0.00 58.87 60.42 2kwb n SER 60 Cb 1.03 -4.08 0.37 0.00 -1.01 0.00 0.00 64.21 60.52 2kwb n SER 60 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2kwb h ASP 61 N 0.00 0.08 -1.46 6.43 3.58 -1.92 -3.34 116.42 119.78 2kwb h ASP 61 Ca -0.23 -0.02 -0.64 0.00 0.42 0.00 0.00 57.03 56.56 2kwb h ASP 61 Cb 1.14 -0.02 -0.12 0.00 1.72 0.00 0.00 39.33 42.05 2kwb h ASP 61 CO 0.34 0.38 1.41 -0.70 -2.88 0.00 0.00 179.24 177.79 2kwb s GLU 62 N -4.36 3.67 -1.21 0.28 2.56 -1.26 -4.91 118.70 113.47 2kwb s GLU 62 Ca -0.04 -1.46 -0.13 0.00 0.00 0.00 0.00 54.97 53.34 2kwb s GLU 62 Cb 0.15 -5.26 -0.06 0.00 2.00 0.00 0.00 34.13 30.96 2kwb s GLU 62 CO 0.73 -2.08 2.32 0.72 -0.56 0.00 0.00 175.26 176.39 2kwb n HIS 63 N 8.07 2.32 -3.46 5.30 8.25 -1.26 -4.91 115.22 129.54 2kwb n HIS 63 Ca 0.33 -2.49 -0.32 0.00 -0.26 0.00 0.00 57.72 54.98 2kwb n HIS 63 Cb 0.49 -2.12 -0.05 0.00 1.12 0.00 0.00 29.99 29.43 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 3.40 4.97 -1.12 1.59 1.01 -1.26 -4.98 120.40 124.00 2kwb s VAL 64 Ca 0.53 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 2kwb s VAL 64 Cb 0.14 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 2kwb s VAL 64 CO -0.02 -0.04 2.09 1.21 0.00 0.00 0.00 175.10 178.34 2kwb n GLU 65 N -0.08 2.20 -3.16 2.72 2.13 -0.52 -4.92 120.64 119.01 2kwb n GLU 65 Ca -0.00 -2.20 -0.39 0.00 0.66 0.00 0.00 57.16 55.22 2kwb n GLU 65 Cb 0.52 -3.08 -0.06 0.00 0.27 0.00 0.00 31.44 29.09 2kwb n GLU 65 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2kwb s ARG 66 N 4.06 4.35 0.00 5.31 0.52 -1.26 -0.93 118.95 130.99 2kwb s ARG 66 Ca 0.52 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.61 2kwb s ARG 66 Cb 0.14 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.33 2kwb s ARG 66 CO 0.01 0.53 0.00 0.41 0.02 0.00 0.00 175.30 176.27 2kwb n GLY 67 N 1.92 -0.75 3.61 -3.53 0.00 -0.82 -4.98 105.19 100.64 2kwb n GLY 67 Ca -0.08 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.00 3.70 0.33 -0.61 -4.36 -1.26 -1.83 121.20 113.17 2kwb s ILE 68 Ca 0.00 -0.81 0.09 0.00 -0.26 0.00 0.00 60.65 59.67 2kwb s ILE 68 Cb 0.00 -2.63 0.38 0.00 1.25 0.00 0.00 42.46 41.45 2kwb s ILE 68 CO 0.00 0.35 1.59 -0.78 0.24 0.00 0.00 174.94 176.34 2kwb h ASP 69 N 4.37 -0.12 -0.18 4.36 1.82 -1.10 -1.23 116.42 124.33 2kwb h ASP 69 Ca -0.48 0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.47 2kwb h ASP 69 Cb 1.17 0.38 -0.07 0.00 0.68 0.00 0.00 39.33 41.48 2kwb h ASP 69 CO 0.54 -0.35 -0.39 0.40 -1.61 0.00 0.00 179.24 177.84 2kwb h ILE 70 N 0.04 0.18 0.13 2.25 2.04 -1.94 -2.26 117.51 117.96 2kwb h ILE 70 Ca 0.68 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 66.26 2kwb h ILE 70 Cb 1.57 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2kwb h ILE 70 CO -0.83 0.00 -1.26 -0.37 0.00 0.00 0.00 178.15 175.69 2kwb h VAL 71 N -0.43 1.48 -0.19 1.67 -1.51 -1.63 -3.23 116.25 112.41 2kwb h VAL 71 Ca 0.10 -3.05 -0.04 0.00 -1.23 0.00 0.00 66.70 62.47 2kwb h VAL 71 Cb 0.59 2.94 -0.01 0.00 -2.13 0.00 0.00 31.29 32.69 2kwb h VAL 71 CO -0.42 0.89 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.69 2kwb h LEU 72 N 0.07 0.38 -1.52 4.19 3.38 -1.38 0.59 115.31 121.03 2kwb h LEU 72 Ca -0.14 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 2kwb h LEU 72 Cb 1.98 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 2kwb h LEU 72 CO 0.20 0.66 -0.08 0.78 0.09 0.00 0.00 178.44 180.10 2kwb h ASN 73 N 0.09 0.00 -0.51 -0.43 2.35 -1.53 -2.08 115.58 113.47 2kwb h ASN 73 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2kwb h ASN 73 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2kwb h ASN 73 CO 0.02 0.08 0.00 1.41 -1.65 0.00 0.00 177.43 177.29 2kwb n HIS 74 N -3.25 0.67 -3.57 1.19 8.25 -1.15 -5.01 115.22 112.35 2kwb n HIS 74 Ca -0.00 -0.41 -0.17 0.00 -0.26 0.00 0.00 57.72 56.87 2kwb n HIS 74 Cb 0.32 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2kwb n HIS 74 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2kwb n LYS 75 N 1.25 -1.46 -3.85 -0.41 3.00 -0.43 -4.78 118.16 111.47 2kwb n LYS 75 Ca 0.19 0.97 -0.36 0.00 -0.00 0.00 0.00 58.31 59.11 2kwb n LYS 75 Cb 0.55 -3.37 -0.12 0.00 0.00 0.00 0.00 35.03 32.08 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kwb s LEU 76 N -4.72 3.44 0.22 3.14 1.43 0.07 -2.65 118.68 119.60 2kwb s LEU 76 Ca 0.01 -0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 2kwb s LEU 76 Cb -0.01 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 2kwb s LEU 76 CO 0.85 0.01 0.84 0.54 0.23 0.00 0.00 176.35 178.82 2kwb s VAL 77 N 1.36 4.30 0.27 -1.59 0.11 -0.10 -4.75 120.40 119.99 2kwb s VAL 77 Ca 0.05 1.76 -0.29 0.00 -2.93 0.00 0.00 61.98 60.57 2kwb s VAL 77 Cb -0.15 -4.12 -0.09 0.00 -1.53 0.00 0.00 36.38 30.49 2kwb s VAL 77 CO 0.03 0.41 0.95 -0.70 -3.33 0.00 0.00 175.10 172.46 2kwb s GLU 78 N -1.43 4.75 0.00 1.54 2.12 -1.26 -1.46 118.70 122.96 2kwb s GLU 78 Ca 0.40 1.46 -0.05 0.00 0.36 0.00 0.00 54.97 57.14 2kwb s GLU 78 Cb -0.22 -3.12 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 2kwb s GLU 78 CO 0.26 0.42 0.10 1.41 -0.54 0.00 0.00 175.26 176.91 2kwb s MET 79 N -1.48 0.42 0.21 4.30 1.75 0.13 -4.96 119.30 119.67 2kwb s MET 79 Ca 0.44 -0.41 0.04 0.00 -1.25 0.00 0.00 55.69 54.51 2kwb s MET 79 Cb -0.24 0.17 -0.05 0.00 2.84 0.00 0.00 34.83 37.55 2kwb s MET 79 CO 0.30 -0.09 -0.04 0.54 -0.65 0.00 0.00 175.02 175.08 2kwb s ASN 80 N -1.31 1.88 0.18 1.11 2.20 -1.26 -0.21 114.94 117.53 2kwb s ASN 80 Ca -0.14 -1.15 -0.21 0.00 -0.94 0.00 0.00 52.86 50.42 2kwb s ASN 80 Cb -0.08 -0.01 0.11 0.00 -2.00 0.00 0.00 41.25 39.27 2kwb s ASN 80 CO 0.01 -0.44 1.40 0.00 -2.94 0.00 0.00 177.10 175.13 2kwb h TYR 82 N 0.00 0.00 0.00 0.00 -0.00 -1.98 -2.70 116.97 112.30 2kwb h TYR 82 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.94 2kwb h TYR 82 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.19 2kwb h TYR 82 CO -0.85 0.01 -1.86 -1.91 -0.00 0.00 0.00 178.16 173.55 2kwb n GLU 83 N -4.49 0.64 0.00 0.10 4.07 -0.25 -4.44 120.64 116.27 2kwb n GLU 83 Ca -0.03 -0.14 0.12 0.00 -0.06 0.00 0.00 57.16 57.05 2kwb n GLU 83 Cb 0.10 -1.43 0.74 0.00 -0.06 0.00 0.00 31.44 30.80 2kwb n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kwb n ASP 84 N -2.19 0.00 -0.41 4.31 2.03 0.84 -4.27 116.55 116.86 2kwb n ASP 84 Ca -0.06 -0.98 -0.10 0.00 0.52 0.00 0.00 54.79 54.17 2kwb n ASP 84 Cb 0.54 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.94 -0.56 -0.34 -1.67 0.00 -1.19 0.11 120.51 115.90 2kwb n ALA 85 Ca 0.19 0.86 0.10 0.00 0.00 0.00 0.00 53.44 54.59 2kwb n ALA 85 Cb 0.09 -0.18 0.30 0.00 0.00 0.00 0.00 19.45 19.65 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 0.83 0.00 0.00 0.87 -1.94 -2.78 113.55 110.53 2kwb h SER 86 Ca 0.18 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2kwb h SER 86 Cb 0.43 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2kwb h SER 86 CO -0.94 0.38 0.00 0.23 -0.53 0.00 0.00 176.83 175.98 2kwb n MET 87 N -4.66 0.00 0.06 2.24 2.00 0.12 -2.39 117.12 114.49 2kwb n MET 87 Ca 0.20 0.31 0.18 0.00 0.00 0.00 0.00 57.70 58.39 2kwb n MET 87 Cb 0.46 -0.98 0.69 0.00 0.00 0.00 0.00 33.22 33.40 2kwb n MET 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2kwb h PHE 88 N 0.00 0.00 0.55 2.03 -0.00 -1.44 0.11 116.94 118.19 2kwb h PHE 88 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 2kwb h PHE 88 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 35.96 2kwb h PHE 88 CO 0.05 0.00 -0.26 0.87 -0.00 0.00 0.00 178.31 178.96 2kwb h LYS 89 N 0.00 -0.71 -0.58 6.09 1.79 -1.63 -2.51 116.57 119.02 2kwb h LYS 89 Ca 0.20 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2kwb h LYS 89 Cb 0.80 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.59 2kwb h LYS 89 CO -0.00 -0.48 0.27 0.00 -1.08 0.00 0.00 179.45 178.16 2kwb h ALA 90 N -1.25 0.74 -0.30 3.86 0.00 -1.03 -2.74 119.26 118.55 2kwb h ALA 90 Ca -0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2kwb h ALA 90 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kwb h ALA 90 CO 0.12 0.32 -0.41 1.88 0.00 0.00 0.00 179.25 181.16 2kwb h TYR 91 N 0.78 0.87 -0.19 0.00 -1.99 -0.94 -1.66 116.97 113.84 2kwb h TYR 91 Ca 0.20 -0.26 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 2kwb h TYR 91 Cb 0.13 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 2kwb h TYR 91 CO 0.00 1.01 -0.26 0.97 -0.00 0.00 0.00 178.16 179.88 2kwb h ILE 92 N 0.59 1.26 -0.24 -2.88 6.09 -1.39 0.29 117.51 121.23 2kwb h ILE 92 Ca 0.05 -1.22 -0.05 0.00 -1.37 0.00 0.00 64.86 62.27 2kwb h ILE 92 Cb 0.95 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 2kwb h ILE 92 CO 0.09 0.38 -0.03 0.50 -3.07 0.00 0.00 178.15 176.02 2kwb h LYS 93 N 0.32 0.45 -0.88 2.19 3.64 -1.29 -0.19 116.57 120.81 2kwb h LYS 93 Ca 0.05 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2kwb h LYS 93 Cb 0.64 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2kwb h LYS 93 CO 0.05 0.65 0.47 0.87 -2.27 0.00 0.00 179.45 179.22 2kwb h LYS 94 N 0.20 1.23 0.79 1.90 1.57 -1.10 -2.83 116.57 118.34 2kwb h LYS 94 Ca 0.07 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2kwb h LYS 94 Cb 0.46 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2kwb h LYS 94 CO 0.02 0.91 -0.38 0.35 -0.57 0.00 0.00 179.45 179.77 2kwb h PHE 95 N 1.23 -0.99 -0.98 -1.35 3.57 -0.18 0.66 116.94 118.90 2kwb h PHE 95 Ca 0.31 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.92 2kwb h PHE 95 Cb 0.04 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 2kwb h PHE 95 CO 0.01 -0.61 0.62 0.00 -2.23 0.00 0.00 178.31 176.10 2kwb h MET 96 N -1.08 0.88 -0.00 1.11 -0.00 -1.06 0.25 114.93 115.04 2kwb h MET 96 Ca -0.11 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.70 59.54 2kwb h MET 96 Cb 0.82 -0.20 -0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2kwb h MET 96 CO 0.18 0.58 0.00 0.87 -0.00 0.00 0.00 176.91 178.54 2kwb h LYS 97 N 0.91 0.00 -0.35 -0.10 1.79 -1.36 -2.79 116.57 114.67 2kwb h LYS 97 Ca 0.50 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.96 2kwb h LYS 97 Cb 0.59 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2kwb h LYS 97 CO -0.27 0.22 0.19 -0.97 -1.08 0.00 0.00 179.45 177.54 2kwb h ASN 98 N -0.21 0.43 -0.40 0.86 -0.73 0.40 0.18 115.58 116.10 2kwb h ASN 98 Ca 0.00 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.01 2kwb h ASN 98 Cb 0.22 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 2kwb h ASN 98 CO -0.00 0.38 -0.05 -0.37 -0.37 0.00 0.00 177.43 177.03 2kwb h VAL 99 N 0.44 1.27 -0.34 2.57 -1.51 -1.09 -1.15 116.25 116.44 2kwb h VAL 99 Ca 0.12 -1.10 -0.14 0.00 -1.23 0.00 0.00 66.70 64.35 2kwb h VAL 99 Cb 0.05 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 2kwb h VAL 99 CO -0.02 0.37 -0.37 0.40 -1.23 0.00 0.00 177.57 176.72 2kwb h ILE 100 N 0.56 1.28 -0.06 7.19 1.08 -1.42 -0.99 117.51 125.15 2kwb h ILE 100 Ca 0.11 -1.53 0.04 0.00 -0.39 0.00 0.00 64.86 63.08 2kwb h ILE 100 Cb 0.55 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 2kwb h ILE 100 CO 0.03 0.50 -0.27 -0.78 -0.69 0.00 0.00 178.15 176.94 2kwb h ASP 101 N 0.65 -0.81 0.17 1.72 1.82 -0.46 -0.65 116.42 118.86 2kwb h ASP 101 Ca 0.06 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 2kwb h ASP 101 Cb 0.92 0.34 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2kwb h ASP 101 CO 0.08 -0.33 -0.08 0.45 -1.61 0.00 0.00 179.24 177.75 2kwb h HIS 102 N -0.38 -0.21 0.52 0.28 3.86 -1.18 -3.02 115.15 115.02 2kwb h HIS 102 Ca 0.08 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 2kwb h HIS 102 Cb 0.49 0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.04 2kwb h HIS 102 CO -0.33 0.18 -0.25 1.98 0.86 0.00 0.00 177.93 180.37 2kwb h MET 103 N -0.68 -0.68 -0.58 2.45 1.85 -1.18 -3.29 114.93 112.83 2kwb h MET 103 Ca -0.02 0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 2kwb h MET 103 Cb 0.49 0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.64 2kwb h MET 103 CO 0.04 -0.37 0.26 1.49 -0.40 0.00 0.00 176.91 177.92 2kwb h GLU 104 N -0.96 0.85 -0.77 0.39 4.81 -1.28 -2.39 114.58 115.24 2kwb h GLU 104 Ca -0.07 -0.14 0.17 0.00 -0.13 0.00 0.00 59.36 59.19 2kwb h GLU 104 Cb 0.62 -0.15 -0.11 0.00 0.63 0.00 0.00 28.75 29.74 2kwb h GLU 104 CO 0.12 0.71 0.22 -0.22 -0.73 0.00 0.00 179.01 179.11 2kwb h LYS 105 N 0.79 0.29 -0.29 1.92 3.64 -1.60 0.14 116.57 121.46 2kwb h LYS 105 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2kwb h LYS 105 Cb 0.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2kwb h LYS 105 CO -0.02 0.19 0.00 0.27 -2.27 0.00 0.00 179.45 177.62 2kwb n ASN 106 N -5.14 3.77 0.04 4.20 6.94 -1.19 -4.71 115.26 119.19 2kwb n ASN 106 Ca 0.16 -2.82 0.00 0.00 -0.02 0.00 0.00 54.58 51.90 2kwb n ASN 106 Cb 0.50 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2kwb n ASN 106 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kwb n ASN 107 N -0.27 0.28 0.00 0.53 4.05 -0.70 -5.02 115.26 114.14 2kwb n ASN 107 Ca 0.20 0.13 0.00 0.00 0.45 0.00 0.00 54.58 55.35 2kwb n ASN 107 Cb 0.82 -0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.80 2kwb n ASN 107 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2kwb n ARG 108 N -2.95 0.00 -1.93 1.20 1.74 0.41 -4.93 116.66 110.21 2kwb n ARG 108 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2kwb n ARG 108 Cb 0.00 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kwb s ASP 109 N -0.46 6.05 0.47 0.55 1.01 -1.26 -4.87 116.67 118.16 2kwb s ASP 109 Ca 0.00 1.70 0.18 0.00 0.71 0.00 0.00 52.55 55.14 2kwb s ASP 109 Cb 0.00 -2.53 1.17 0.00 1.01 0.00 0.00 42.92 42.58 2kwb s ASP 109 CO 0.00 -1.51 2.00 0.07 0.21 0.00 0.00 175.17 175.93 2kwb h LYS 110 N 12.25 0.23 -0.64 8.23 2.10 -1.98 -0.99 116.57 135.77 2kwb h LYS 110 Ca -0.37 -0.01 0.11 0.00 -2.00 0.00 0.00 60.65 58.37 2kwb h LYS 110 Cb 1.18 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 32.42 2kwb h LYS 110 CO 0.99 0.15 0.43 0.00 -2.00 0.00 0.00 179.45 179.03 2kwb h ALA 111 N 1.74 2.01 0.00 0.07 0.00 -1.99 -1.20 119.26 119.89 2kwb h ALA 111 Ca 0.25 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2kwb h ALA 111 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kwb h ALA 111 CO -0.05 -0.16 -1.23 -0.25 0.00 0.00 0.00 179.25 177.56 2kwb n ASP 112 N -4.47 1.88 -0.05 0.00 9.92 -0.45 -3.97 116.55 119.40 2kwb n ASP 112 Ca 0.11 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 2kwb n ASP 112 Cb 0.39 -0.86 0.29 0.00 -0.64 0.00 0.00 41.12 40.30 2kwb n ASP 112 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 2kwb h VAL 113 N -1.00 1.19 0.00 2.53 -1.51 -1.40 0.32 116.25 116.38 2kwb h VAL 113 Ca -0.24 -0.64 -0.09 0.00 -1.23 0.00 0.00 66.70 64.50 2kwb h VAL 113 Cb 1.06 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 2kwb h VAL 113 CO -0.15 0.24 -0.44 -0.78 -1.23 0.00 0.00 177.57 175.21 2kwb h ASP 114 N 0.63 0.00 -0.06 4.19 3.58 -1.45 0.19 116.42 123.51 2kwb h ASP 114 Ca 0.15 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 2kwb h ASP 114 Cb 0.20 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.26 2kwb h ASP 114 CO -0.01 0.44 -0.44 0.00 -2.88 0.00 0.00 179.24 176.35 2kwb h ALA 115 N 1.56 0.14 -0.37 -0.78 0.00 -1.51 -1.38 119.26 116.92 2kwb h ALA 115 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kwb h ALA 115 Cb 1.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2kwb h ALA 115 CO 0.06 0.28 0.23 0.35 0.00 0.00 0.00 179.25 180.17 2kwb h PHE 116 N -0.07 0.47 -0.90 0.00 3.57 -0.87 -0.70 116.94 118.44 2kwb h PHE 116 Ca -0.04 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.65 2kwb h PHE 116 Cb 1.11 -0.16 -0.11 0.00 2.79 0.00 0.00 35.95 39.58 2kwb h PHE 116 CO 0.13 0.32 0.45 -0.22 -2.23 0.00 0.00 178.31 176.76 2kwb h LYS 117 N 0.49 0.54 -0.57 1.11 3.64 -0.66 -0.75 116.57 120.37 2kwb h LYS 117 Ca 0.13 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2kwb h LYS 117 Cb -0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2kwb h LYS 117 CO -0.03 0.36 0.16 -0.22 -2.27 0.00 0.00 179.45 177.45 2kwb h LYS 118 N 0.56 0.90 0.38 1.90 3.64 -0.27 0.24 116.57 123.92 2kwb h LYS 118 Ca 0.53 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2kwb h LYS 118 Cb 0.87 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2kwb h LYS 118 CO -0.43 0.83 -0.27 0.87 -2.27 0.00 0.00 179.45 178.17 2kwb h LYS 119 N 0.81 -0.62 -0.83 1.90 6.56 -0.17 -0.72 116.57 123.50 2kwb h LYS 119 Ca 0.18 0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.83 2kwb h LYS 119 Cb 0.32 0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 2kwb h LYS 119 CO -0.00 -0.41 0.54 0.82 -2.06 0.00 0.00 179.45 178.34 2kwb h ILE 120 N -0.64 1.18 0.47 1.86 1.08 -1.10 -1.22 117.51 119.15 2kwb h ILE 120 Ca -0.04 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 2kwb h ILE 120 Cb 0.55 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2kwb h ILE 120 CO 0.01 0.20 -0.37 -0.61 -0.69 0.00 0.00 178.15 176.70 2kwb h GLN 121 N 1.09 -0.80 -1.00 2.37 4.15 -0.37 0.62 115.11 121.17 2kwb h GLN 121 Ca 0.31 0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.88 2kwb h GLN 121 Cb -0.08 0.18 -0.07 0.00 0.21 0.00 0.00 27.48 27.72 2kwb h GLN 121 CO -0.08 -0.53 0.64 0.78 -1.93 0.00 0.00 178.83 177.70 2kwb h GLY 122 N -0.83 1.57 0.93 2.39 0.00 -1.02 -0.29 103.07 105.82 2kwb h GLY 122 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2kwb h GLY 122 CO -0.00 0.26 -0.07 -0.25 0.00 0.00 0.00 176.54 176.47 2kwb h TRP 123 N 1.09 -0.19 -0.31 5.60 7.01 -0.85 -2.47 115.95 125.84 2kwb h TRP 123 Ca 0.46 -0.00 -0.15 0.00 2.11 0.00 0.00 58.89 61.31 2kwb h TRP 123 Cb 0.31 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2kwb h TRP 123 CO -0.00 -0.05 -0.39 -0.39 -2.79 0.00 0.00 178.44 174.82 2kwb h VAL 124 N -0.28 1.29 0.00 2.65 -1.51 -0.55 0.26 116.25 118.11 2kwb h VAL 124 Ca -0.02 -1.57 -0.03 0.00 -1.23 0.00 0.00 66.70 63.86 2kwb h VAL 124 Cb 0.22 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2kwb h VAL 124 CO 0.03 0.51 -0.14 -0.37 -1.23 0.00 0.00 177.57 176.38 2kwb h VAL 125 N 0.59 0.70 0.06 7.19 -1.51 -1.10 0.66 116.25 122.84 2kwb h VAL 125 Ca 0.04 -0.56 -0.19 0.00 -1.23 0.00 0.00 66.70 64.76 2kwb h VAL 125 Cb 0.98 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 2kwb h VAL 125 CO 0.09 0.13 -0.98 -1.28 -1.23 0.00 0.00 177.57 174.31 2kwb h SER 126 N 0.00 0.21 -0.94 4.19 0.87 -1.32 -3.36 113.55 113.19 2kwb h SER 126 Ca -0.00 -0.81 0.04 0.00 -1.23 0.00 0.00 61.79 59.78 2kwb h SER 126 Cb 0.33 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 2kwb h SER 126 CO 0.02 1.42 0.62 0.25 -0.53 0.00 0.00 176.83 178.60 2kwb h LEU 127 N -0.65 1.01 -0.17 2.23 5.85 -0.09 -1.30 115.31 122.19 2kwb h LEU 127 Ca -0.23 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kwb h LEU 127 Cb 1.46 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2kwb h LEU 127 CO -0.01 0.69 0.00 0.18 -0.34 0.00 0.00 178.44 178.96 2kwb n LEU 128 N -4.45 0.26 -4.56 2.25 4.77 0.19 -4.71 117.00 110.75 2kwb n LEU 128 Ca 0.13 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.73 2kwb n LEU 128 Cb 0.11 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2kwb n LEU 128 CO 0.35 0.05 1.36 0.00 -1.33 0.00 0.00 177.39 177.82 2kwb s ALA 129 N -1.98 1.75 0.48 -1.18 0.00 -0.49 -4.82 121.76 115.52 2kwb s ALA 129 Ca 0.35 -1.52 0.24 0.00 0.00 0.00 0.00 51.96 51.03 2kwb s ALA 129 Cb 0.17 -4.54 1.28 0.00 0.00 0.00 0.00 23.12 20.02 2kwb s ALA 129 CO 0.28 -4.70 1.89 1.57 0.00 0.00 0.00 175.76 174.80 2kwb h LYS 130 N 11.35 0.19 0.00 0.00 2.10 -1.88 0.52 116.57 128.85 2kwb h LYS 130 Ca 0.09 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.67 2kwb h LYS 130 Cb 1.01 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 2kwb h LYS 130 CO 1.22 0.13 -0.25 -0.44 -2.00 0.00 0.00 179.45 178.11 2kwb h ASP 131 N 0.20 0.00 0.00 7.07 5.19 -1.97 -2.24 116.42 124.66 2kwb h ASP 131 Ca 0.41 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.79 2kwb h ASP 131 Cb 1.32 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 2kwb h ASP 131 CO -0.08 0.25 -0.75 0.54 -3.12 0.00 0.00 179.24 176.07 2kwb n ARG 132 N -4.07 0.32 0.00 3.56 1.74 -0.74 -4.71 116.66 112.76 2kwb n ARG 132 Ca -0.02 0.13 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 2kwb n ARG 132 Cb 0.31 -1.06 0.33 0.00 -1.02 0.00 0.00 32.46 31.02 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 -4.04 0.00 -0.50 -1.55 3.01 0.10 -3.54 117.46 110.94 2kwb n PHE 133 Ca -0.11 0.00 0.39 0.00 1.01 0.00 0.00 57.45 58.74 2kwb n PHE 133 Cb 0.36 -0.16 0.62 0.00 -0.01 0.00 0.00 39.48 40.29 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 -1.16 -0.01 -0.78 -1.08 4.81 -0.84 -0.73 118.16 118.37 2kwb n LYS 134 Ca 0.07 0.94 -0.15 0.00 -0.87 0.00 0.00 58.31 58.29 2kwb n LYS 134 Cb 0.07 -2.02 0.08 0.00 0.02 0.00 0.00 35.03 33.18 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 -3.87 4.43 -4.68 3.14 0.23 -1.23 -4.85 115.26 108.43 2kwb n ASN 135 Ca 0.35 -2.99 -0.40 0.00 -0.53 0.00 0.00 54.58 51.01 2kwb n ASN 135 Cb 1.49 -0.80 -0.05 0.00 -2.08 0.00 0.00 39.78 38.34 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kwb s LEU 136 N -1.95 4.21 -0.36 -4.53 1.43 0.10 -4.09 118.68 113.48 2kwb s LEU 136 Ca 0.33 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.26 2kwb s LEU 136 Cb 0.28 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2kwb s LEU 136 CO 0.04 -0.21 0.24 0.00 0.23 0.00 0.00 176.35 176.66 2kwb s ALA 137 N 1.48 3.43 -0.46 4.21 0.00 -0.23 -4.49 121.76 125.71 2kwb s ALA 137 Ca 0.31 -1.55 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 2kwb s ALA 137 Cb -0.16 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.29 2kwb s ALA 137 CO 0.12 -1.19 0.74 -0.06 0.00 0.00 0.00 175.76 175.38 2kwb s PHE 138 N 1.67 3.01 -0.24 0.00 0.08 0.70 -1.30 117.98 121.90 2kwb s PHE 138 Ca 0.05 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 2kwb s PHE 138 Cb -0.18 -3.58 -0.05 0.00 -0.57 0.00 0.00 43.02 38.64 2kwb s PHE 138 CO 0.09 -0.98 0.17 -0.06 -0.10 0.00 0.00 175.22 174.35 2kwb s PHE 139 N 3.14 3.31 0.08 0.36 0.40 -0.54 0.23 117.98 124.95 2kwb s PHE 139 Ca 0.26 0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.92 2kwb s PHE 139 Cb -0.13 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 2kwb s PHE 139 CO 0.20 0.04 -0.25 -1.50 0.70 0.00 0.00 175.22 174.41 2kwb s ILE 140 N 1.15 2.05 0.11 0.64 2.07 -0.53 -0.69 121.20 125.99 2kwb s ILE 140 Ca 0.08 -1.49 -0.31 0.00 -1.41 0.00 0.00 60.65 57.52 2kwb s ILE 140 Cb -0.14 -1.79 -0.10 0.00 0.13 0.00 0.00 42.46 40.56 2kwb s ILE 140 CO 0.05 0.21 1.87 0.61 -1.91 0.00 0.00 174.94 175.77 2kwb n GLY 141 N 1.44 1.71 0.30 1.50 0.00 -1.26 -0.92 105.19 107.96 2kwb n GLY 141 Ca -0.18 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 8.94 -0.03 -0.98 1.61 4.81 -1.81 0.56 114.58 127.68 2kwb h GLU 142 Ca -0.47 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 58.99 2kwb h GLU 142 Cb 1.23 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 2kwb h GLU 142 CO 0.95 -0.02 0.63 0.00 -0.73 0.00 0.00 179.01 179.83 2kwb h ARG 143 N -0.03 0.46 0.04 1.92 2.47 -1.90 -2.27 114.38 115.06 2kwb h ARG 143 Ca 0.34 -0.03 -0.34 0.00 -1.26 0.00 0.00 59.98 58.69 2kwb h ARG 143 Cb 0.56 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 2kwb h ARG 143 CO -0.78 0.30 -2.03 0.00 0.56 0.00 0.00 179.97 178.02 2kwb n ALA 144 N -2.47 1.30 0.33 0.04 0.00 -0.35 -4.25 120.51 115.11 2kwb n ALA 144 Ca 0.22 -0.86 0.22 0.00 0.00 0.00 0.00 53.44 53.02 2kwb n ALA 144 Cb 0.74 -0.57 1.17 0.00 0.00 0.00 0.00 19.45 20.79 2kwb n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kwb h ALA 145 N 0.57 1.01 0.00 0.00 0.00 -0.36 0.29 119.26 120.76 2kwb h ALA 145 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kwb h ALA 145 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2kwb h ALA 145 CO 0.05 -0.01 0.00 1.49 0.00 0.00 0.00 179.25 180.78 2kwb h GLU 146 N 0.00 0.00 0.00 0.00 4.57 -1.69 -3.42 114.58 114.04 2kwb h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kwb h GLU 146 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2kwb h GLU 146 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2kwb n GLY 147 N -0.54 0.00 2.81 1.92 0.00 -0.57 -5.16 105.19 103.66 2kwb n GLY 147 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 148 N 0.00 1.06 -0.69 4.61 0.00 0.92 -5.01 121.76 122.65 2kwb s ALA 148 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2kwb s ALA 148 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2kwb s ALA 148 CO 0.00 -0.69 0.48 0.39 0.00 0.00 0.00 175.76 175.94 2kwb n GLU 149 N 5.03 0.73 -0.17 0.00 4.71 -1.26 -2.59 120.64 127.08 2kwb n GLU 149 Ca -0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.12 2kwb n GLU 149 Cb 0.49 -1.29 0.09 0.00 -1.01 0.00 0.00 31.44 29.72 2kwb n GLU 149 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2kwb n ASN 150 N 0.29 1.67 -4.52 1.62 3.02 -1.26 -4.97 115.26 111.11 2kwb n ASN 150 Ca 0.00 -2.67 -0.42 0.00 -0.03 0.00 0.00 54.58 51.46 2kwb n ASN 150 Cb 0.24 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kwb s GLY 151 N -2.18 1.40 -0.00 7.41 0.00 -1.07 -4.54 107.32 108.34 2kwb s GLY 151 Ca 0.21 -2.26 -0.31 0.00 0.00 0.00 0.00 44.72 42.36 2kwb s GLY 151 CO 0.02 2.45 1.97 -0.18 0.00 0.00 0.00 173.10 177.37 2kwb n GLN 152 N 8.22 2.69 -3.20 2.90 7.27 -1.26 -4.80 117.38 129.20 2kwb n GLN 152 Ca 0.24 0.98 -0.37 0.00 0.07 0.00 0.00 57.00 57.92 2kwb n GLN 152 Cb 0.50 -2.95 -0.06 0.00 2.41 0.00 0.00 30.24 30.14 2kwb n GLN 152 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2kwb s VAL 153 N 4.61 4.66 -0.17 1.69 1.01 -1.26 -4.48 120.40 126.46 2kwb s VAL 153 Ca 0.90 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 64.05 2kwb s VAL 153 Cb -0.48 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2kwb s VAL 153 CO 0.44 0.40 0.10 0.00 0.00 0.00 0.00 175.10 176.03 2kwb s ALA 154 N -1.30 3.61 -0.32 5.51 0.00 0.14 -4.95 121.76 124.45 2kwb s ALA 154 Ca 0.35 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 2kwb s ALA 154 Cb -0.18 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 2kwb s ALA 154 CO 0.21 0.31 0.22 0.42 0.00 0.00 0.00 175.76 176.92 2kwb s ILE 155 N -0.07 5.29 -0.25 0.00 1.01 -1.09 -1.47 121.20 124.62 2kwb s ILE 155 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 2kwb s ILE 155 Cb -0.12 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2kwb s ILE 155 CO 0.00 0.10 0.15 -0.63 0.00 0.00 0.00 174.94 174.56 2kwb s ILE 156 N 1.74 5.19 -0.11 2.92 -1.09 -0.42 -0.04 121.20 129.39 2kwb s ILE 156 Ca 0.07 0.12 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2kwb s ILE 156 Cb -0.17 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2kwb s ILE 156 CO 0.11 0.32 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.35 2kwb s GLU 157 N 1.28 3.19 -0.82 2.79 2.12 -0.66 -1.06 118.70 125.54 2kwb s GLU 157 Ca 0.07 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.56 2kwb s GLU 157 Cb -0.14 -2.66 0.07 0.00 0.26 0.00 0.00 34.13 31.65 2kwb s GLU 157 CO 0.06 0.38 1.18 0.71 -0.54 0.00 0.00 175.26 177.06 2kwb s TYR 158 N -0.07 2.65 -0.38 5.30 1.51 -1.26 -0.60 117.35 124.49 2kwb s TYR 158 Ca -0.01 -0.68 -0.22 0.00 -1.01 0.00 0.00 57.07 55.15 2kwb s TYR 158 Cb -0.14 -4.46 0.01 0.00 -0.11 0.00 0.00 41.96 37.26 2kwb s TYR 158 CO 0.03 -1.78 0.73 0.50 -1.11 0.00 0.00 175.55 173.93 2kwb s ARG 159 N 4.36 3.64 -0.20 -0.62 3.00 0.06 -4.87 118.95 124.32 2kwb s ARG 159 Ca 0.33 0.12 -0.29 0.00 -1.00 0.00 0.00 55.73 54.89 2kwb s ARG 159 Cb -0.08 -3.84 -0.01 0.00 0.00 0.00 0.00 34.95 31.01 2kwb s ARG 159 CO 0.02 -0.88 1.34 -0.51 0.00 0.00 0.00 175.30 175.27 2kwb s ASP 160 N 1.89 6.80 -0.44 -2.12 1.11 -1.26 -1.63 116.67 121.03 2kwb s ASP 160 Ca 0.29 1.61 0.02 0.00 0.18 0.00 0.00 52.55 54.65 2kwb s ASP 160 Cb -0.13 -2.54 0.13 0.00 1.07 0.00 0.00 42.92 41.45 2kwb s ASP 160 CO 0.18 -0.90 0.21 -0.69 1.18 0.00 0.00 175.17 175.14 2kwb s VAL 161 N 3.93 1.74 -1.49 -1.27 1.01 0.49 -4.89 120.40 119.91 2kwb s VAL 161 Ca 0.58 -2.61 -0.12 0.00 0.00 0.00 0.00 61.98 59.83 2kwb s VAL 161 Cb -0.22 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.02 2kwb s VAL 161 CO 0.19 -0.82 0.83 -0.67 0.00 0.00 0.00 175.10 174.64 2kwb n ASP 162 N 3.63 -4.66 0.00 3.32 2.03 -1.26 -1.06 116.55 118.56 2kwb n ASP 162 Ca 0.06 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.71 2kwb n ASP 162 Cb 0.35 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 163 N -1.55 0.38 3.38 0.27 0.00 -1.26 -5.07 105.19 101.33 2kwb n GLY 163 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -2.00 3.66 -0.61 2.61 2.01 -0.22 -5.08 115.64 116.02 2kwb s THR 164 Ca 0.00 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 2kwb s THR 164 Cb 0.00 -2.66 0.09 0.00 0.01 0.00 0.00 72.50 69.94 2kwb s THR 164 CO 0.00 0.42 0.78 -1.83 -0.69 0.00 0.00 174.62 173.30 2kwb s GLU 165 N 1.26 3.07 -0.31 4.92 1.03 -1.26 -0.38 118.70 127.03 2kwb s GLU 165 Ca 0.03 -1.14 -0.07 0.00 0.03 0.00 0.00 54.97 53.82 2kwb s GLU 165 Cb -0.14 -4.24 0.02 0.00 -0.80 0.00 0.00 34.13 28.96 2kwb s GLU 165 CO -0.00 -1.61 0.10 0.14 -1.33 0.00 0.00 175.26 172.56 2kwb s VAL 166 N 3.10 4.01 -0.32 1.83 -7.23 -0.64 -4.92 120.40 116.23 2kwb s VAL 166 Ca 0.15 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 2kwb s VAL 166 Cb -0.22 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2kwb s VAL 166 CO 0.08 -0.01 1.35 -2.16 -0.31 0.00 0.00 175.10 174.05 2kwb s PRO 167 N 1.49 3.82 0.11 4.82 0.04 -1.26 -0.76 135.00 143.26 2kwb s PRO 167 Ca 0.02 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.29 2kwb s PRO 167 Cb -0.18 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2kwb s PRO 167 CO 0.03 -1.24 0.12 0.95 0.04 0.00 0.00 177.00 176.90 2kwb s THR 168 N 4.70 4.65 -0.24 1.26 -4.23 0.23 -4.12 115.64 117.88 2kwb s THR 168 Ca 0.59 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 60.18 2kwb s THR 168 Cb -0.17 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 2kwb s THR 168 CO 0.26 0.03 0.13 -0.22 -0.54 0.00 0.00 174.62 174.28 2kwb s LEU 169 N -2.70 3.85 -0.24 4.79 2.96 0.15 -1.66 118.68 125.84 2kwb s LEU 169 Ca 0.31 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.10 2kwb s LEU 169 Cb -0.11 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2kwb s LEU 169 CO 0.23 0.02 0.13 -0.04 -1.32 0.00 0.00 176.35 175.38 2kwb s MET 170 N 1.31 3.96 -0.03 1.98 -1.94 0.94 -2.35 119.30 123.17 2kwb s MET 170 Ca 0.06 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 2kwb s MET 170 Cb -0.15 -3.46 0.03 0.00 2.01 0.00 0.00 34.83 33.26 2kwb s MET 170 CO 0.06 0.02 0.00 -0.51 -0.01 0.00 0.00 175.02 174.58 2kwb s LEU 171 N 1.14 1.21 -0.15 -0.03 1.43 -0.95 -2.67 118.68 118.66 2kwb s LEU 171 Ca 0.06 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 2kwb s LEU 171 Cb -0.14 -0.19 -0.00 0.00 0.03 0.00 0.00 46.19 45.89 2kwb s LEU 171 CO 0.05 -0.10 1.03 -0.69 0.23 0.00 0.00 176.35 176.87 2kwb s VAL 172 N 0.95 4.71 -0.87 -1.59 1.01 -1.26 -0.22 120.40 123.13 2kwb s VAL 172 Ca -0.09 2.01 0.15 0.00 0.00 0.00 0.00 61.98 64.05 2kwb s VAL 172 Cb -0.13 -4.30 0.14 0.00 0.00 0.00 0.00 36.38 32.09 2kwb s VAL 172 CO -0.02 -0.06 1.47 2.29 0.00 0.00 0.00 175.10 178.78 2kwb n LYS 173 N 5.52 0.04 0.00 2.72 -0.00 -0.26 -0.31 118.16 125.87 2kwb n LYS 173 Ca 0.10 0.32 0.11 0.00 -0.00 0.00 0.00 58.31 58.84 2kwb n LYS 173 Cb 0.48 -1.59 0.02 0.00 -0.00 0.00 0.00 35.03 33.94 2kwb n LYS 173 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kwb n GLU 174 N -1.67 0.37 0.01 -1.58 -0.58 -1.26 -4.07 120.64 111.85 2kwb n GLU 174 Ca 0.03 -0.28 0.11 0.00 -0.42 0.00 0.00 57.16 56.59 2kwb n GLU 174 Cb 0.16 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.07 3.71 -3.65 0.62 0.00 0.58 -4.86 120.51 115.83 2kwb n ALA 175 Ca 0.06 -0.50 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 2kwb n ALA 175 Cb 0.37 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 2kwb n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kwb s ILE 176 N -3.21 0.49 -0.16 0.00 1.01 -0.52 -1.59 121.20 117.23 2kwb s ILE 176 Ca 0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 2kwb s ILE 176 Cb 0.15 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2kwb s ILE 176 CO 0.85 0.22 0.42 -0.63 0.00 0.00 0.00 174.94 175.80 2kwb s ILE 177 N 1.03 5.21 -0.36 2.92 -1.09 0.17 -4.60 121.20 124.48 2kwb s ILE 177 Ca -0.09 0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 58.87 2kwb s ILE 177 Cb -0.14 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2kwb s ILE 177 CO -0.01 0.31 0.89 -1.61 -1.23 0.00 0.00 174.94 173.29 2kwb s GLU 178 N 0.84 3.82 -0.28 2.79 8.01 -1.26 -2.34 118.70 130.28 2kwb s GLU 178 Ca 0.22 0.51 -0.02 0.00 0.01 0.00 0.00 54.97 55.69 2kwb s GLU 178 Cb -0.14 -3.80 0.04 0.00 -4.31 0.00 0.00 34.13 25.91 2kwb s GLU 178 CO 0.08 -0.92 -0.02 -1.21 0.01 0.00 0.00 175.26 173.20 2kwb s GLU 179 N 3.37 2.66 -0.41 1.61 2.02 0.11 -5.03 118.70 123.02 2kwb s GLU 179 Ca 0.36 -1.10 -0.25 0.00 0.02 0.00 0.00 54.97 54.00 2kwb s GLU 179 Cb -0.12 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.02 2kwb s GLU 179 CO 0.18 -0.51 0.89 0.21 0.02 0.00 0.00 175.26 176.05 2kwb s LYS 180 N 1.30 3.66 -0.62 1.61 2.20 -1.26 -1.20 119.74 125.43 2kwb s LYS 180 Ca -0.02 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.90 2kwb s LYS 180 Cb -0.18 -3.87 0.15 0.00 -1.51 0.00 0.00 37.83 32.42 2kwb s LYS 180 CO -0.02 -1.06 0.40 0.00 -0.36 0.00 0.00 175.35 174.30 2kwb n LEU 182 N 2.96 0.00 0.00 0.00 -0.00 -1.26 -0.53 117.00 118.17 2kwb n LEU 182 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.13 2kwb n LEU 182 Cb 0.35 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 43.93 2kwb n LEU 182 CO 0.33 0.00 0.40 -0.62 -0.00 0.00 0.00 177.39 177.50