#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwb s LEU 2 N 0.00 4.54 -0.19 4.03 2.96 -0.95 -2.89 118.68 126.19 2kwb s LEU 2 Ca 0.00 1.56 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 2kwb s LEU 2 Cb 0.00 -3.25 0.03 0.00 0.50 0.00 0.00 46.19 43.46 2kwb s LEU 2 CO 0.00 0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.37 2kwb s ILE 3 N -0.78 1.96 0.08 6.68 1.01 -0.21 -0.44 121.20 129.51 2kwb s ILE 3 Ca 0.36 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.13 2kwb s ILE 3 Cb -0.22 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2kwb s ILE 3 CO 0.25 0.44 -0.24 -0.72 0.00 0.00 0.00 174.94 174.66 2kwb s TYR 4 N 1.31 2.39 -0.17 3.97 1.13 -0.29 -0.24 117.35 125.45 2kwb s TYR 4 Ca 0.03 -0.36 -0.08 0.00 -1.41 0.00 0.00 57.07 55.25 2kwb s TYR 4 Cb -0.14 -1.36 0.07 0.00 -1.10 0.00 0.00 41.96 39.43 2kwb s TYR 4 CO -0.11 0.24 0.40 -1.59 -2.51 0.00 0.00 175.55 171.98 2kwb s LYS 5 N -1.63 0.36 0.75 -3.49 -2.85 -0.95 -2.54 119.74 109.39 2kwb s LYS 5 Ca 0.14 0.84 -0.12 0.00 -1.00 0.00 0.00 55.97 55.83 2kwb s LYS 5 Cb -0.10 0.05 0.04 0.00 -2.06 0.00 0.00 37.83 35.76 2kwb s LYS 5 CO 0.05 -0.18 1.12 0.34 0.10 0.00 0.00 175.35 176.77 2kwb s ASP 6 N 1.72 5.05 0.08 0.03 2.15 -1.26 -0.52 116.67 123.92 2kwb s ASP 6 Ca -0.07 1.05 -0.14 0.00 0.43 0.00 0.00 52.55 53.81 2kwb s ASP 6 Cb -0.09 -1.76 -0.16 0.00 -0.30 0.00 0.00 42.92 40.61 2kwb s ASP 6 CO -0.13 -1.59 1.29 0.16 -0.17 0.00 0.00 175.17 174.74 2kwb h ILE 7 N -0.83 1.31 0.00 4.11 3.07 -1.48 -2.71 117.51 120.98 2kwb h ILE 7 Ca -0.46 -1.89 0.00 0.00 1.55 0.00 0.00 64.86 64.06 2kwb h ILE 7 Cb 1.28 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 39.85 2kwb h ILE 7 CO 0.64 0.59 -1.13 2.22 -1.05 0.00 0.00 178.15 179.42 2kwb n PHE 8 N -4.05 0.00 -0.29 0.16 1.16 -1.26 -4.11 117.46 109.07 2kwb n PHE 8 Ca -0.07 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.57 2kwb n PHE 8 Cb 0.68 -0.15 0.29 0.00 -1.61 0.00 0.00 39.48 38.70 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2kwb n THR 9 N -1.64 1.81 -0.29 1.97 -1.04 -1.26 -4.72 114.28 109.12 2kwb n THR 9 Ca 0.01 -0.99 0.11 0.00 -2.04 0.00 0.00 64.05 61.14 2kwb n THR 9 Cb 0.31 -0.20 0.26 0.00 -1.82 0.00 0.00 70.33 68.88 2kwb n THR 9 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2kwb h ASP 10 N 3.03 -0.05 0.29 8.00 1.82 -1.63 -0.16 116.42 127.72 2kwb h ASP 10 Ca 0.00 0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 2kwb h ASP 10 Cb 1.44 0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.73 2kwb h ASP 10 CO 0.30 -0.15 -0.03 0.44 -1.61 0.00 0.00 179.24 178.19 2kwb h ASP 11 N 0.20 0.00 -0.34 2.28 3.32 -1.87 -2.11 116.42 117.90 2kwb h ASP 11 Ca 0.52 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.47 2kwb h ASP 11 Cb 1.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 2kwb h ASP 11 CO -0.65 0.03 0.13 -0.62 -1.72 0.00 0.00 179.24 176.40 2kwb n GLU 12 N -3.29 2.22 -1.67 3.56 1.02 -0.07 -4.94 120.64 117.46 2kwb n GLU 12 Ca -0.02 -1.37 -0.62 0.00 -0.02 0.00 0.00 57.16 55.14 2kwb n GLU 12 Cb 0.16 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 29.79 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2kwb n LEU 13 N 0.06 1.77 -4.12 -4.62 7.94 -0.80 -4.94 117.00 112.29 2kwb n LEU 13 Ca 0.18 1.05 -0.10 0.00 -1.11 0.00 0.00 56.01 56.04 2kwb n LEU 13 Cb 0.82 -1.02 -0.09 0.00 0.53 0.00 0.00 43.42 43.66 2kwb n LEU 13 CO 0.20 -0.63 -0.24 -0.44 -1.11 0.00 0.00 177.39 175.17 2kwb s SER 14 N 3.77 0.24 0.06 1.96 0.01 -1.05 -5.01 113.70 113.67 2kwb s SER 14 Ca 1.04 -1.17 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2kwb s SER 14 Cb -1.27 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 2kwb s SER 14 CO 0.71 -0.77 -0.09 -0.94 0.41 0.00 0.00 173.24 172.56 2kwb s SER 15 N -3.05 4.48 0.01 2.44 1.04 -1.26 -1.13 113.70 116.24 2kwb s SER 15 Ca 0.25 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2kwb s SER 15 Cb 0.07 -0.94 -0.00 0.00 0.10 0.00 0.00 66.02 65.24 2kwb s SER 15 CO 0.03 0.23 0.01 -0.90 0.98 0.00 0.00 173.24 173.59 2kwb n ASP 16 N 1.11 -0.03 -2.88 7.02 5.75 0.41 -4.97 116.55 122.97 2kwb n ASP 16 Ca -0.14 -1.08 -0.12 0.00 -0.01 0.00 0.00 54.79 53.44 2kwb n ASP 16 Cb 0.52 0.07 0.04 0.00 -1.03 0.00 0.00 41.12 40.73 2kwb n ASP 16 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2kwb n SER 17 N -2.72 -1.55 -4.37 -1.12 7.64 -1.26 -2.24 113.62 108.00 2kwb n SER 17 Ca 0.00 -3.38 -0.22 0.00 1.01 0.00 0.00 58.87 56.29 2kwb n SER 17 Cb 0.02 1.13 -0.11 0.00 -1.01 0.00 0.00 64.21 64.24 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kwb s PHE 18 N -0.35 1.90 0.32 1.43 0.08 -1.26 -5.11 117.98 115.00 2kwb s PHE 18 Ca 0.29 -0.47 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 2kwb s PHE 18 Cb 0.28 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.73 2kwb s PHE 18 CO -0.11 0.41 0.79 -1.25 -0.10 0.00 0.00 175.22 174.96 2kwb s PRO 19 N -3.13 4.13 -0.04 0.24 0.04 -1.26 -5.08 135.00 129.91 2kwb s PRO 19 Ca 0.20 0.83 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 2kwb s PRO 19 Cb -0.04 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.01 2kwb s PRO 19 CO 0.08 0.18 0.21 0.00 0.04 0.00 0.00 177.00 177.51 2kwb s MET 20 N -2.76 0.42 -0.29 4.56 0.23 -1.26 -5.03 119.30 115.18 2kwb s MET 20 Ca 0.53 -0.05 -0.00 0.00 -1.03 0.00 0.00 55.69 55.13 2kwb s MET 20 Cb -0.12 0.19 0.05 0.00 -1.53 0.00 0.00 34.83 33.42 2kwb s MET 20 CO 0.18 -0.09 -0.03 0.15 -2.03 0.00 0.00 175.02 173.20 2kwb s LYS 21 N -0.73 2.37 -0.83 3.16 1.02 -1.17 -5.02 119.74 118.54 2kwb s LYS 21 Ca -0.08 -1.30 -0.26 0.00 0.02 0.00 0.00 55.97 54.35 2kwb s LYS 21 Cb -0.05 -3.11 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2kwb s LYS 21 CO 0.02 -0.61 1.34 -1.17 -0.92 0.00 0.00 175.35 174.00 2kwb s LEU 22 N 1.21 3.27 0.10 3.17 2.96 -1.26 0.05 118.68 128.18 2kwb s LEU 22 Ca -0.06 -0.78 -0.21 0.00 -0.22 0.00 0.00 54.13 52.86 2kwb s LEU 22 Cb -0.20 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 2kwb s LEU 22 CO -0.02 -1.73 0.62 0.54 -1.32 0.00 0.00 176.35 174.44 2kwb s VAL 23 N 5.49 4.65 0.00 1.68 0.11 0.10 -3.79 120.40 128.64 2kwb s VAL 23 Ca 0.39 1.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 2kwb s VAL 23 Cb -0.05 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 2kwb s VAL 23 CO 0.07 0.54 0.00 0.47 -3.33 0.00 0.00 175.10 172.84 2kwb n ASP 24 N 1.65 -5.04 -1.48 3.54 9.92 -1.26 -1.93 116.55 121.95 2kwb n ASP 24 Ca -0.09 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.01 2kwb n ASP 24 Cb 0.50 -3.32 -0.07 0.00 -0.64 0.00 0.00 41.12 37.60 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kwb n ASP 25 N -0.84 -4.21 -0.01 -2.24 8.00 -1.25 -4.76 116.55 111.25 2kwb n ASP 25 Ca 0.00 0.39 -0.02 0.00 0.71 0.00 0.00 54.79 55.87 2kwb n ASP 25 Cb 0.42 -3.83 -0.01 0.00 -0.02 0.00 0.00 41.12 37.68 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 -2.07 2.10 -4.11 0.64 7.94 -0.81 -4.95 117.00 115.74 2kwb n LEU 26 Ca -0.16 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.59 2kwb n LEU 26 Cb 0.53 -0.09 -0.12 0.00 0.53 0.00 0.00 43.42 44.26 2kwb n LEU 26 CO 0.24 0.39 -0.43 0.68 -1.11 0.00 0.00 177.39 177.17 2kwb s VAL 27 N -2.06 0.80 -0.18 1.96 -7.23 -0.99 -1.36 120.40 111.36 2kwb s VAL 27 Ca -0.04 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 58.77 2kwb s VAL 27 Cb 0.01 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 2kwb s VAL 27 CO 0.06 -0.29 0.60 -0.31 -0.31 0.00 0.00 175.10 174.85 2kwb s TYR 28 N -1.30 3.41 -0.02 2.82 2.02 0.95 0.03 117.35 125.25 2kwb s TYR 28 Ca -0.06 0.93 0.01 0.00 -0.37 0.00 0.00 57.07 57.58 2kwb s TYR 28 Cb -0.10 -2.75 -0.03 0.00 -0.40 0.00 0.00 41.96 38.67 2kwb s TYR 28 CO 0.01 -0.10 0.00 -1.83 -1.57 0.00 0.00 175.55 172.06 2kwb s GLU 29 N 1.62 2.84 -0.19 -0.62 -1.05 0.11 -2.25 118.70 119.15 2kwb s GLU 29 Ca 0.29 -0.56 -0.06 0.00 -0.15 0.00 0.00 54.97 54.48 2kwb s GLU 29 Cb -0.16 -2.70 0.09 0.00 -0.44 0.00 0.00 34.13 30.92 2kwb s GLU 29 CO 0.11 0.65 0.40 0.12 0.95 0.00 0.00 175.26 177.49 2kwb s PHE 30 N -1.03 -0.76 -0.06 4.83 5.36 -0.95 -3.04 117.98 122.33 2kwb s PHE 30 Ca 0.18 1.44 -0.30 0.00 -0.96 0.00 0.00 56.93 57.29 2kwb s PHE 30 Cb -0.11 0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 42.79 2kwb s PHE 30 CO 0.08 -0.48 1.23 0.15 -1.46 0.00 0.00 175.22 174.74 2kwb s LYS 31 N 2.59 4.33 0.70 10.12 3.01 -1.26 -0.24 119.74 138.99 2kwb s LYS 31 Ca -0.01 1.70 -0.05 0.00 -1.01 0.00 0.00 55.97 56.61 2kwb s LYS 31 Cb -0.12 -3.58 0.08 0.00 -1.01 0.00 0.00 37.83 33.20 2kwb s LYS 31 CO -0.12 -0.48 0.99 0.20 0.51 0.00 0.00 175.35 176.44 2kwb s GLY 32 N 1.57 1.74 -0.29 -3.33 0.00 0.47 -4.97 107.32 102.51 2kwb s GLY 32 Ca 0.57 -1.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.00 2kwb s GLY 32 CO 0.22 -0.75 0.12 1.25 0.00 0.00 0.00 173.10 173.93 2kwb s LYS 33 N -5.18 3.34 -0.41 2.90 2.20 -1.26 -4.52 119.74 116.81 2kwb s LYS 33 Ca 0.62 -0.70 -0.28 0.00 -0.36 0.00 0.00 55.97 55.25 2kwb s LYS 33 Cb -0.09 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 2kwb s LYS 33 CO 0.44 -0.38 1.83 -3.38 -0.36 0.00 0.00 175.35 173.51 2kwb s HIS 34 N 1.58 1.75 0.04 4.03 -3.43 -1.26 -1.32 115.29 116.68 2kwb s HIS 34 Ca 0.04 0.70 -0.02 0.00 -0.80 0.00 0.00 55.06 54.99 2kwb s HIS 34 Cb -0.17 -4.10 -0.03 0.00 -1.43 0.00 0.00 32.58 26.85 2kwb s HIS 34 CO 0.05 -2.76 -0.01 0.14 -2.00 0.00 0.00 174.74 170.16 2kwb s VAL 35 N 7.61 0.18 -0.07 -5.38 -7.23 -0.14 -4.98 120.40 110.40 2kwb s VAL 35 Ca 0.77 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2kwb s VAL 35 Cb -0.20 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.63 2kwb s VAL 35 CO 0.30 -0.82 -0.05 0.68 -0.31 0.00 0.00 175.10 174.90 2kwb s VAL 36 N -3.17 0.66 -0.43 1.32 -7.23 -1.26 -1.59 120.40 108.69 2kwb s VAL 36 Ca -0.00 -0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.88 2kwb s VAL 36 Cb 0.02 -0.70 0.03 0.00 0.56 0.00 0.00 36.38 36.30 2kwb s VAL 36 CO -0.07 0.27 0.34 -0.60 -0.31 0.00 0.00 175.10 174.73 2kwb s ARG 37 N 1.28 2.98 -0.40 4.82 3.52 -0.56 -4.50 118.95 126.09 2kwb s ARG 37 Ca -0.05 -1.08 -0.06 0.00 -0.13 0.00 0.00 55.73 54.41 2kwb s ARG 37 Cb -0.14 -4.02 0.09 0.00 -1.56 0.00 0.00 34.95 29.32 2kwb s ARG 37 CO -0.02 -0.83 0.21 0.21 -0.81 0.00 0.00 175.30 174.06 2kwb s LYS 38 N 1.72 2.39 -1.14 5.12 2.20 -0.98 -1.66 119.74 127.40 2kwb s LYS 38 Ca 0.05 -1.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.10 2kwb s LYS 38 Cb -0.20 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2kwb s LYS 38 CO 0.09 -0.96 0.00 0.39 -0.36 0.00 0.00 175.35 174.51 2kwb n GLU 39 N 4.78 -1.69 0.00 4.03 1.02 -1.26 -1.57 120.64 125.95 2kwb n GLU 39 Ca -0.08 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2kwb n GLU 39 Cb 0.42 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kwb n GLY 40 N 0.23 1.51 3.84 0.62 0.00 -1.26 -5.11 105.19 105.03 2kwb n GLY 40 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2kwb n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwb s GLU 41 N -0.24 3.32 -0.11 1.61 2.12 -0.61 -5.10 118.70 119.69 2kwb s GLU 41 Ca 0.00 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2kwb s GLU 41 Cb 0.00 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 2kwb s GLU 41 CO 0.00 0.73 -0.16 -1.50 -0.54 0.00 0.00 175.26 173.78 2kwb s ILE 42 N -1.10 2.78 -0.16 -3.70 1.10 -1.26 -2.31 121.20 116.55 2kwb s ILE 42 Ca 0.19 -0.77 0.16 0.00 -0.51 0.00 0.00 60.65 59.72 2kwb s ILE 42 Cb -0.12 -2.14 -0.24 0.00 0.15 0.00 0.00 42.46 40.12 2kwb s ILE 42 CO 0.09 0.54 0.42 1.33 -2.11 0.00 0.00 174.94 175.20 2kwb n VAL 43 N 3.42 0.00 -2.30 4.00 0.24 -1.26 -4.91 118.33 117.52 2kwb n VAL 43 Ca -0.18 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 2kwb n VAL 43 Cb 0.53 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 2kwb n VAL 43 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2kwb s LEU 44 N -3.88 3.44 0.30 1.34 2.01 -1.26 -4.85 118.68 115.78 2kwb s LEU 44 Ca -0.04 0.52 0.26 0.00 0.01 0.00 0.00 54.13 54.88 2kwb s LEU 44 Cb 0.11 -3.15 0.80 0.00 0.01 0.00 0.00 46.19 43.96 2kwb s LEU 44 CO 0.67 -1.73 1.75 0.00 1.01 0.00 0.00 176.35 178.05 2kwb h ALA 45 N 11.64 1.00 0.00 4.21 0.00 -1.96 -3.48 119.26 130.67 2kwb h ALA 45 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kwb h ALA 45 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kwb h ALA 45 CO 1.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.81 2kwb n GLY 46 N 0.89 -1.61 2.65 0.00 0.00 -1.26 -5.09 105.19 100.76 2kwb n GLY 46 Ca 0.04 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.31 2kwb n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kwb s SER 47 N -4.00 3.13 -0.30 1.61 0.15 -1.26 -5.01 113.70 108.02 2kwb s SER 47 Ca 0.00 -1.04 -0.07 0.00 0.70 0.00 0.00 55.95 55.55 2kwb s SER 47 Cb 0.00 -0.48 0.19 0.00 -1.71 0.00 0.00 66.02 64.02 2kwb s SER 47 CO 0.00 -0.37 0.92 0.21 1.20 0.00 0.00 173.24 175.20 2kwb s ASN 48 N 1.96 -0.74 0.00 5.45 3.84 -1.26 -5.19 114.94 119.00 2kwb s ASN 48 Ca 0.04 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.20 2kwb s ASN 48 Cb -0.17 1.47 0.00 0.00 -0.55 0.00 0.00 41.25 42.00 2kwb s ASN 48 CO -0.19 -0.14 0.00 -0.81 -2.79 0.00 0.00 177.10 173.17 2kwb n PRO 49 N 5.19 2.44 0.27 0.43 -0.04 -1.26 -5.03 135.00 137.01 2kwb n PRO 49 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2kwb n PRO 49 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 2kwb n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kwb h SER 50 N 0.00 -0.58 0.00 3.54 4.64 -1.87 -3.45 113.55 115.83 2kwb h SER 50 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2kwb h SER 50 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2kwb h SER 50 CO 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 176.83 175.67 2kwb n ALA 51 N -2.50 1.28 0.00 5.18 0.00 -1.26 -5.04 120.51 118.16 2kwb n ALA 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2kwb n ALA 51 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2kwb n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kwb n GLU 52 N -0.87 1.55 -3.68 0.00 -0.00 -1.26 -5.07 120.64 111.31 2kwb n GLU 52 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.06 2kwb n GLU 52 Cb 0.00 -0.88 -0.10 0.00 -0.00 0.00 0.00 31.44 30.46 2kwb n GLU 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2kwb s GLU 53 N -1.76 0.36 0.00 3.44 2.12 -1.26 -4.78 118.70 116.82 2kwb s GLU 53 Ca 0.00 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.24 2kwb s GLU 53 Cb 0.00 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2kwb s GLU 53 CO 0.00 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 2kwb n GLY 54 N 4.82 0.84 0.90 -1.50 0.00 -1.26 -4.91 105.19 104.08 2kwb n GLY 54 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 55 N -0.08 2.84 -1.31 4.61 0.00 -1.26 -4.65 120.51 120.66 2kwb n ALA 55 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2kwb n ALA 55 Cb 0.00 0.47 0.08 0.00 0.00 0.00 0.00 19.45 19.99 2kwb n ALA 55 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kwb n GLU 56 N -2.88 0.91 -2.26 0.00 0.28 -1.26 -5.00 120.64 110.43 2kwb n GLU 56 Ca 0.00 -1.89 -0.34 0.00 -0.16 0.00 0.00 57.16 54.77 2kwb n GLU 56 Cb 0.47 -1.09 -0.04 0.00 1.43 0.00 0.00 31.44 32.21 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kwb s ASP 57 N -2.00 5.72 0.00 -1.84 1.11 -1.26 -3.81 116.67 114.59 2kwb s ASP 57 Ca 0.18 -1.72 0.00 0.00 0.18 0.00 0.00 52.55 51.18 2kwb s ASP 57 Cb 0.16 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2kwb s ASP 57 CO 0.02 -2.32 0.00 -0.67 1.18 0.00 0.00 175.17 173.38 2kwb n ASP 58 N 12.04 0.00 0.00 0.27 2.03 -1.26 -4.54 116.55 125.09 2kwb n ASP 58 Ca 0.44 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2kwb n ASP 58 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.00 -1.37 3.00 0.27 0.00 -1.25 -5.12 105.19 100.73 2kwb n GLY 59 Ca 0.00 0.99 -0.32 0.00 0.00 0.00 0.00 46.02 46.68 2kwb n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kwb s SER 60 N 0.00 4.80 0.00 1.61 0.01 -1.26 -4.79 113.70 114.07 2kwb s SER 60 Ca 0.00 -3.11 0.16 0.00 1.31 0.00 0.00 55.95 54.31 2kwb s SER 60 Cb 0.00 -1.73 0.27 0.00 0.21 0.00 0.00 66.02 64.76 2kwb s SER 60 CO 0.00 -0.26 1.08 -0.67 0.41 0.00 0.00 173.24 173.81 2kwb n ASP 61 N 3.04 0.43 -4.62 2.44 2.03 -1.26 -5.13 116.55 113.48 2kwb n ASP 61 Ca 0.09 -1.96 -0.24 0.00 0.52 0.00 0.00 54.79 53.20 2kwb n ASP 61 Cb 0.35 -0.16 0.12 0.00 -0.72 0.00 0.00 41.12 40.71 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kwb s GLU 62 N 0.00 1.54 -0.10 -0.67 0.41 -1.26 -4.99 118.70 113.63 2kwb s GLU 62 Ca 0.21 -1.12 0.13 0.00 -0.41 0.00 0.00 54.97 53.78 2kwb s GLU 62 Cb 0.24 -2.30 0.55 0.00 -1.78 0.00 0.00 34.13 30.85 2kwb s GLU 62 CO -0.11 -1.56 1.41 0.72 -0.49 0.00 0.00 175.26 175.23 2kwb n HIS 63 N -2.92 1.19 -2.23 1.61 8.25 -1.26 -4.95 115.22 114.91 2kwb n HIS 63 Ca 0.16 -0.46 -0.39 0.00 -0.26 0.00 0.00 57.72 56.77 2kwb n HIS 63 Cb 0.61 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.87 3.00 -0.87 1.59 1.01 -1.26 -4.91 120.40 117.10 2kwb s VAL 64 Ca 0.38 0.89 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 2kwb s VAL 64 Cb 0.26 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.98 2kwb s VAL 64 CO 0.17 0.13 1.96 -0.62 0.00 0.00 0.00 175.10 176.74 2kwb n GLU 65 N 0.30 1.68 -2.87 2.72 -0.58 -0.66 -4.89 120.64 116.34 2kwb n GLU 65 Ca 0.03 -1.96 -0.40 0.00 -0.42 0.00 0.00 57.16 54.40 2kwb n GLU 65 Cb 0.45 -2.99 -0.05 0.00 -0.57 0.00 0.00 31.44 28.28 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2kwb s ARG 66 N 4.81 4.60 0.00 3.49 1.70 -1.26 -1.49 118.95 130.80 2kwb s ARG 66 Ca 0.56 1.25 0.00 0.00 -0.47 0.00 0.00 55.73 57.07 2kwb s ARG 66 Cb 0.14 -3.36 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 2kwb s ARG 66 CO 0.09 0.29 0.00 0.41 -1.08 0.00 0.00 175.30 175.01 2kwb n GLY 67 N 2.22 -0.29 3.59 3.88 0.00 -0.62 -5.02 105.19 108.96 2kwb n GLY 67 Ca -0.01 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 3.62 0.34 -0.61 -4.36 -1.26 -0.96 121.20 113.97 2kwb s ILE 68 Ca 0.00 -0.76 0.13 0.00 -0.26 0.00 0.00 60.65 59.76 2kwb s ILE 68 Cb 0.00 -2.56 0.36 0.00 1.25 0.00 0.00 42.46 41.50 2kwb s ILE 68 CO 0.00 0.41 1.60 -0.78 0.24 0.00 0.00 174.94 176.41 2kwb h ASP 69 N 4.59 0.11 0.15 4.36 3.58 -1.53 -1.85 116.42 125.84 2kwb h ASP 69 Ca -0.48 0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.22 2kwb h ASP 69 Cb 1.17 0.30 -0.04 0.00 1.72 0.00 0.00 39.33 42.48 2kwb h ASP 69 CO 0.53 -0.33 -0.44 0.40 -2.88 0.00 0.00 179.24 176.53 2kwb h ILE 70 N 0.09 0.00 -0.10 2.25 2.04 -1.95 0.24 117.51 120.07 2kwb h ILE 70 Ca 0.73 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.43 2kwb h ILE 70 Cb 1.74 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2kwb h ILE 70 CO -0.76 0.00 -0.63 -0.37 0.00 0.00 0.00 178.15 176.38 2kwb h VAL 71 N -0.67 1.37 -0.29 1.67 -1.51 -1.77 -2.79 116.25 112.26 2kwb h VAL 71 Ca -0.01 -1.99 -0.08 0.00 -1.23 0.00 0.00 66.70 63.39 2kwb h VAL 71 Cb 0.65 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2kwb h VAL 71 CO -0.21 0.60 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.55 2kwb h LEU 72 N 0.27 0.61 -1.11 4.19 3.38 -1.29 0.12 115.31 121.48 2kwb h LEU 72 Ca -0.01 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2kwb h LEU 72 Cb 1.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2kwb h LEU 72 CO 0.11 0.86 0.18 -1.13 0.09 0.00 0.00 178.44 178.55 2kwb h ASN 73 N 0.35 0.74 -0.13 -0.43 -0.73 -0.94 -2.47 115.58 111.97 2kwb h ASN 73 Ca 0.07 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2kwb h ASN 73 Cb 0.62 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.02 2kwb h ASN 73 CO 0.04 0.70 0.00 1.41 -0.37 0.00 0.00 177.43 179.21 2kwb n HIS 74 N -4.31 0.15 -3.40 0.67 8.25 -1.06 -4.99 115.22 110.53 2kwb n HIS 74 Ca 0.04 -0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 2kwb n HIS 74 Cb 0.19 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.32 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kwb n LYS 75 N 0.76 -1.45 -4.06 -0.41 4.01 0.24 -5.00 118.16 112.26 2kwb n LYS 75 Ca 0.17 0.99 -0.34 0.00 -0.51 0.00 0.00 58.31 58.62 2kwb n LYS 75 Cb 0.46 -4.59 -0.10 0.00 -0.51 0.00 0.00 35.03 30.29 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kwb s LEU 76 N -5.02 3.71 0.18 -0.35 1.43 -0.14 -4.58 118.68 113.91 2kwb s LEU 76 Ca 0.18 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 2kwb s LEU 76 Cb -0.05 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 2kwb s LEU 76 CO 0.81 0.17 0.99 0.54 0.23 0.00 0.00 176.35 179.09 2kwb s VAL 77 N 0.40 4.15 0.06 -1.59 0.11 -0.71 -4.80 120.40 118.03 2kwb s VAL 77 Ca 0.02 1.94 -0.24 0.00 -2.93 0.00 0.00 61.98 60.77 2kwb s VAL 77 Cb -0.13 -4.24 -0.06 0.00 -1.53 0.00 0.00 36.38 30.43 2kwb s VAL 77 CO 0.01 0.37 0.73 -1.83 -3.33 0.00 0.00 175.10 171.05 2kwb s GLU 78 N -0.57 4.47 0.16 1.54 4.04 -1.26 -1.63 118.70 125.44 2kwb s GLU 78 Ca 0.45 1.02 0.05 0.00 0.04 0.00 0.00 54.97 56.53 2kwb s GLU 78 Cb -0.26 -3.34 -0.04 0.00 0.02 0.00 0.00 34.13 30.51 2kwb s GLU 78 CO 0.32 0.36 -0.12 -1.64 -1.84 0.00 0.00 175.26 172.35 2kwb s MET 79 N -0.32 1.12 -0.00 -4.83 -1.94 0.14 -4.98 119.30 108.48 2kwb s MET 79 Ca 0.36 -1.46 0.03 0.00 -1.71 0.00 0.00 55.69 52.92 2kwb s MET 79 Cb -0.21 -0.77 -0.01 0.00 2.01 0.00 0.00 34.83 35.86 2kwb s MET 79 CO 0.23 0.11 -0.11 -0.80 -0.01 0.00 0.00 175.02 174.44 2kwb s ASN 80 N -3.12 1.24 0.28 3.03 0.01 -1.26 -1.24 114.94 113.87 2kwb s ASN 80 Ca 0.17 -0.22 0.03 0.00 -0.71 0.00 0.00 52.86 52.12 2kwb s ASN 80 Cb 0.01 -0.13 0.68 0.00 0.41 0.00 0.00 41.25 42.23 2kwb s ASN 80 CO 0.02 0.11 1.71 0.00 -1.51 0.00 0.00 177.10 177.43 2kwb h TYR 82 N 0.43 0.35 0.00 0.00 -0.00 -1.96 0.48 116.97 116.27 2kwb h TYR 82 Ca 0.54 0.01 -0.37 0.00 0.00 0.00 0.00 58.73 58.91 2kwb h TYR 82 Cb 0.98 -0.11 -0.06 0.00 0.00 0.00 0.00 36.73 37.54 2kwb h TYR 82 CO -0.14 0.12 -2.27 -1.91 -0.00 0.00 0.00 178.16 173.96 2kwb n GLU 83 N -4.44 0.50 0.00 0.10 2.13 -0.76 -4.54 120.64 113.63 2kwb n GLU 83 Ca 0.15 0.19 0.07 0.00 0.66 0.00 0.00 57.16 58.24 2kwb n GLU 83 Cb 0.65 -1.35 0.43 0.00 0.27 0.00 0.00 31.44 31.44 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kwb n ASP 84 N -3.78 0.00 -0.25 4.31 8.00 -0.50 -3.85 116.55 120.48 2kwb n ASP 84 Ca -0.43 -1.30 0.05 0.00 0.71 0.00 0.00 54.79 53.82 2kwb n ASP 84 Cb 0.85 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 42.12 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kwb h ALA 85 N 3.28 0.90 -0.50 2.24 0.00 -1.11 -0.59 119.26 123.48 2kwb h ALA 85 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2kwb h ALA 85 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kwb h ALA 85 CO 0.00 -0.37 0.01 0.66 0.00 0.00 0.00 179.25 179.55 2kwb h SER 86 N 0.22 0.86 0.15 0.00 4.64 -1.86 -1.92 113.55 115.64 2kwb h SER 86 Ca 0.41 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2kwb h SER 86 Cb 0.71 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2kwb h SER 86 CO -0.54 0.95 -0.07 -0.03 -0.87 0.00 0.00 176.83 176.26 2kwb h MET 87 N 0.74 -0.20 0.00 4.77 -1.53 -1.41 -1.39 114.93 115.92 2kwb h MET 87 Ca 0.14 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.42 2kwb h MET 87 Cb 0.50 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.60 2kwb h MET 87 CO 0.02 -0.01 0.00 0.27 0.14 0.00 0.00 176.91 177.34 2kwb h PHE 88 N -0.36 0.00 -0.31 1.39 -5.15 -1.33 -1.26 116.94 109.93 2kwb h PHE 88 Ca -0.02 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2kwb h PHE 88 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.44 2kwb h PHE 88 CO -0.02 0.00 0.07 -0.22 -2.00 0.00 0.00 178.31 176.13 2kwb h LYS 89 N 0.00 0.50 -0.50 6.09 3.64 -1.00 0.13 116.57 125.42 2kwb h LYS 89 Ca 0.00 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2kwb h LYS 89 Cb 0.70 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2kwb h LYS 89 CO 0.00 0.58 0.08 0.00 -2.27 0.00 0.00 179.45 177.84 2kwb h ALA 90 N 0.90 0.67 -0.10 5.00 0.00 -1.01 -2.54 119.26 122.18 2kwb h ALA 90 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kwb h ALA 90 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kwb h ALA 90 CO 0.00 0.41 0.03 1.88 0.00 0.00 0.00 179.25 181.56 2kwb h TYR 91 N 0.71 0.05 -0.11 0.00 0.05 -1.12 -2.17 116.97 114.38 2kwb h TYR 91 Ca 0.15 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 2kwb h TYR 91 Cb 0.40 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2kwb h TYR 91 CO 0.03 0.02 -0.22 0.97 -1.05 0.00 0.00 178.16 177.91 2kwb h ILE 92 N 0.07 1.21 0.09 -2.88 6.09 -0.73 0.30 117.51 121.67 2kwb h ILE 92 Ca 0.04 -0.97 -0.00 0.00 -1.37 0.00 0.00 64.86 62.55 2kwb h ILE 92 Cb 0.03 1.38 0.00 0.00 0.47 0.00 0.00 36.82 38.70 2kwb h ILE 92 CO -0.05 0.29 -0.05 0.50 -3.07 0.00 0.00 178.15 175.78 2kwb h LYS 93 N 0.17 -0.12 -0.57 2.19 1.63 -1.24 0.80 116.57 119.43 2kwb h LYS 93 Ca 0.03 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 2kwb h LYS 93 Cb 0.49 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 2kwb h LYS 93 CO 0.03 0.09 0.10 0.87 -3.45 0.00 0.00 179.45 177.09 2kwb h LYS 94 N -0.32 0.93 0.60 1.90 1.79 -1.11 -2.68 116.57 117.68 2kwb h LYS 94 Ca -0.01 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 2kwb h LYS 94 Cb 0.27 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2kwb h LYS 94 CO 0.02 0.89 -0.35 0.35 -1.08 0.00 0.00 179.45 179.28 2kwb h PHE 95 N 0.83 -0.93 -0.57 -1.35 3.57 -0.36 0.23 116.94 118.36 2kwb h PHE 95 Ca 0.17 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.77 2kwb h PHE 95 Cb 0.40 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 2kwb h PHE 95 CO 0.03 -0.54 0.02 1.98 -2.23 0.00 0.00 178.31 177.57 2kwb h MET 96 N -0.89 0.13 -0.27 1.11 4.05 -0.85 0.19 114.93 118.40 2kwb h MET 96 Ca -0.07 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2kwb h MET 96 Cb 0.72 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2kwb h MET 96 CO 0.08 0.09 0.11 -0.22 0.23 0.00 0.00 176.91 177.20 2kwb h LYS 97 N 0.14 0.41 -0.25 0.39 1.63 -1.35 -2.71 116.57 114.83 2kwb h LYS 97 Ca 0.29 -0.08 -0.13 0.00 -0.85 0.00 0.00 60.65 59.88 2kwb h LYS 97 Cb 0.45 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2kwb h LYS 97 CO -0.46 0.44 -0.36 -0.97 -3.45 0.00 0.00 179.45 174.65 2kwb h ASN 98 N 0.29 0.74 0.15 4.20 -0.73 -0.22 -2.84 115.58 117.18 2kwb h ASN 98 Ca 0.09 -0.51 -0.12 0.00 1.87 0.00 0.00 56.30 57.63 2kwb h ASN 98 Cb 0.18 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2kwb h ASN 98 CO -0.01 1.11 -0.42 -0.37 -0.37 0.00 0.00 177.43 177.37 2kwb h VAL 99 N 0.40 1.31 -0.42 2.57 -1.51 -0.69 0.26 116.25 118.17 2kwb h VAL 99 Ca 0.03 -1.57 -0.12 0.00 -1.23 0.00 0.00 66.70 63.80 2kwb h VAL 99 Cb 0.95 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2kwb h VAL 99 CO 0.08 0.48 -0.21 -0.29 -1.23 0.00 0.00 177.57 176.40 2kwb h ILE 100 N 0.29 1.27 -0.13 7.19 6.09 -1.51 0.49 117.51 131.19 2kwb h ILE 100 Ca 0.02 -1.34 -0.02 0.00 -1.37 0.00 0.00 64.86 62.16 2kwb h ILE 100 Cb 0.87 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2kwb h ILE 100 CO 0.07 0.45 0.02 0.44 -3.07 0.00 0.00 178.15 176.06 2kwb h ASP 101 N 0.73 0.21 0.00 2.19 3.32 -1.22 0.76 116.42 122.42 2kwb h ASP 101 Ca 0.10 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2kwb h ASP 101 Cb 0.74 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2kwb h ASP 101 CO 0.06 0.42 -0.00 -0.74 -1.72 0.00 0.00 179.24 177.26 2kwb h HIS 102 N -0.00 0.00 0.00 4.55 2.76 -0.31 -1.80 115.15 120.34 2kwb h HIS 102 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kwb h HIS 102 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2kwb h HIS 102 CO 0.02 0.00 -0.50 -0.12 -1.30 0.00 0.00 177.93 176.02 2kwb n MET 103 N -4.52 0.43 0.02 5.26 0.00 0.15 -4.44 117.12 114.02 2kwb n MET 103 Ca -0.03 0.50 0.09 0.00 -0.00 0.00 0.00 57.70 58.26 2kwb n MET 103 Cb 0.09 -1.63 0.52 0.00 0.00 0.00 0.00 33.22 32.20 2kwb n MET 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2kwb h GLU 104 N -0.95 0.32 -0.68 2.12 4.81 -0.89 -0.50 114.58 118.81 2kwb h GLU 104 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2kwb h GLU 104 Cb 0.50 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 2kwb h GLU 104 CO 0.00 0.21 0.36 -0.22 -0.73 0.00 0.00 179.01 178.64 2kwb h LYS 105 N 0.33 0.63 0.04 1.92 3.64 -1.50 -2.11 116.57 119.52 2kwb h LYS 105 Ca 0.18 -0.04 -0.37 0.00 -1.27 0.00 0.00 60.65 59.15 2kwb h LYS 105 Cb 0.28 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2kwb h LYS 105 CO -0.04 0.41 -2.22 0.27 -2.27 0.00 0.00 179.45 175.61 2kwb n ASN 106 N -4.82 1.49 0.23 4.20 0.23 -0.92 -4.64 115.26 111.04 2kwb n ASN 106 Ca 0.09 0.07 -0.10 0.00 -0.53 0.00 0.00 54.58 54.11 2kwb n ASN 106 Cb 0.21 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 37.64 2kwb n ASN 106 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2kwb h ASN 107 N 0.02 -0.53 -1.52 0.53 -0.73 -1.12 -3.47 115.58 108.76 2kwb h ASN 107 Ca -0.49 0.02 -0.37 0.00 1.87 0.00 0.00 56.30 57.33 2kwb h ASN 107 Cb 2.02 0.14 -0.10 0.00 0.27 0.00 0.00 38.32 40.65 2kwb h ASN 107 CO 0.01 -0.25 -0.39 0.54 -0.37 0.00 0.00 177.43 176.97 2kwb n ARG 108 N -4.37 -1.34 -4.23 6.67 1.74 -0.80 -4.99 116.66 109.34 2kwb n ARG 108 Ca -0.08 1.05 -0.32 0.00 -0.77 0.00 0.00 57.85 57.73 2kwb n ARG 108 Cb 0.25 -5.41 -0.16 0.00 -1.02 0.00 0.00 32.46 26.11 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kwb s ASP 109 N -2.57 3.03 0.00 0.55 2.15 -1.26 -5.01 116.67 113.56 2kwb s ASP 109 Ca 0.00 -0.61 0.10 0.00 0.43 0.00 0.00 52.55 52.47 2kwb s ASP 109 Cb 0.00 -1.41 0.59 0.00 -0.30 0.00 0.00 42.92 41.80 2kwb s ASP 109 CO 0.00 0.01 1.09 2.29 -0.17 0.00 0.00 175.17 178.39 2kwb n LYS 110 N 4.51 0.28 -0.07 4.34 2.85 -1.26 -1.45 118.16 127.37 2kwb n LYS 110 Ca -0.20 0.04 -0.22 0.00 -1.05 0.00 0.00 58.31 56.88 2kwb n LYS 110 Cb 0.50 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.26 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kwb n ALA 111 N -1.06 0.98 0.01 0.58 0.00 -1.26 -3.66 120.51 116.10 2kwb n ALA 111 Ca 0.07 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2kwb n ALA 111 Cb 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 2kwb n ALA 111 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kwb h ASP 112 N -0.40 -0.07 0.11 0.00 3.32 -1.79 -2.38 116.42 115.20 2kwb h ASP 112 Ca -0.46 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.10 2kwb h ASP 112 Cb 1.74 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.31 2kwb h ASP 112 CO -0.10 0.46 -0.08 -0.37 -1.72 0.00 0.00 179.24 177.44 2kwb h VAL 113 N -0.64 0.90 0.61 -1.35 -1.51 -1.50 0.16 116.25 112.92 2kwb h VAL 113 Ca -0.01 -0.28 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 2kwb h VAL 113 Cb 0.54 1.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.87 2kwb h VAL 113 CO 0.01 0.08 -0.29 -0.78 -1.23 0.00 0.00 177.57 175.36 2kwb h ASP 114 N 0.00 -0.69 -0.92 4.19 3.58 -1.61 -1.03 116.42 119.93 2kwb h ASP 114 Ca -0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2kwb h ASP 114 Cb 0.15 0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 2kwb h ASP 114 CO 0.01 -0.45 0.61 0.00 -2.88 0.00 0.00 179.24 176.53 2kwb h ALA 115 N -0.51 1.17 0.58 -0.78 0.00 -0.97 -2.64 119.26 116.11 2kwb h ALA 115 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kwb h ALA 115 Cb 0.65 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kwb h ALA 115 CO 0.14 0.56 -0.41 0.35 0.00 0.00 0.00 179.25 179.89 2kwb h PHE 116 N 1.24 -1.10 -0.61 0.00 3.57 -0.58 0.25 116.94 119.72 2kwb h PHE 116 Ca 0.34 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.91 2kwb h PHE 116 Cb -0.14 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2kwb h PHE 116 CO -0.01 -0.59 0.27 1.57 -2.23 0.00 0.00 178.31 177.33 2kwb h LYS 117 N -0.94 0.48 0.00 1.11 2.10 -1.20 -0.09 116.57 118.04 2kwb h LYS 117 Ca -0.08 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.49 2kwb h LYS 117 Cb 0.77 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 2kwb h LYS 117 CO 0.04 0.32 -0.26 0.87 -2.00 0.00 0.00 179.45 178.43 2kwb h LYS 118 N 0.50 0.00 0.25 0.07 1.57 -1.39 -0.29 116.57 117.28 2kwb h LYS 118 Ca 0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2kwb h LYS 118 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kwb h LYS 118 CO -0.25 0.26 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.55 2kwb h LYS 119 N 0.00 -0.33 -0.46 3.15 1.63 0.12 -2.57 116.57 118.11 2kwb h LYS 119 Ca -0.00 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 2kwb h LYS 119 Cb 0.49 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2kwb h LYS 119 CO 0.03 -0.02 -0.23 0.97 -3.45 0.00 0.00 179.45 176.76 2kwb h ILE 120 N -0.98 1.27 0.12 2.00 6.09 -1.08 -2.27 117.51 122.67 2kwb h ILE 120 Ca -0.03 -1.38 -0.01 0.00 -1.37 0.00 0.00 64.86 62.07 2kwb h ILE 120 Cb 0.46 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2kwb h ILE 120 CO 0.06 0.47 -0.06 1.56 -3.07 0.00 0.00 178.15 177.11 2kwb h GLN 121 N 0.81 -0.16 -0.67 2.19 1.08 -1.19 -1.44 115.11 115.73 2kwb h GLN 121 Ca 0.10 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.42 2kwb h GLN 121 Cb 0.79 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.18 2kwb h GLN 121 CO 0.07 0.02 0.28 0.78 -0.95 0.00 0.00 178.83 179.02 2kwb h GLY 122 N -0.31 0.97 0.89 3.46 0.00 -1.43 -0.65 103.07 106.00 2kwb h GLY 122 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2kwb h GLY 122 CO 0.03 -0.01 -0.42 -0.25 0.00 0.00 0.00 176.54 175.89 2kwb h TRP 123 N 0.47 -1.11 -0.48 5.60 2.91 -1.29 -2.47 115.95 119.60 2kwb h TRP 123 Ca 0.34 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.33 2kwb h TRP 123 Cb 0.42 0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 2kwb h TRP 123 CO -0.15 -0.64 0.25 -0.39 -1.03 0.00 0.00 178.44 176.48 2kwb h VAL 124 N -1.08 1.17 0.00 2.65 -1.51 -1.02 0.25 116.25 116.72 2kwb h VAL 124 Ca -0.10 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 2kwb h VAL 124 Cb 0.85 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2kwb h VAL 124 CO 0.12 0.18 -0.12 -0.37 -1.23 0.00 0.00 177.57 176.16 2kwb h VAL 125 N 0.63 0.78 0.16 7.19 -1.51 -1.16 0.14 116.25 122.47 2kwb h VAL 125 Ca 0.17 -0.45 -0.30 0.00 -1.23 0.00 0.00 66.70 64.89 2kwb h VAL 125 Cb 0.07 1.27 0.01 0.00 -2.13 0.00 0.00 31.29 30.50 2kwb h VAL 125 CO -0.03 0.11 -1.39 0.28 -1.23 0.00 0.00 177.57 175.32 2kwb h SER 126 N 0.00 0.52 0.46 4.19 0.02 -0.91 -3.37 113.55 114.47 2kwb h SER 126 Ca -0.00 -0.60 -0.13 0.00 -0.84 0.00 0.00 61.79 60.22 2kwb h SER 126 Cb 0.26 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2kwb h SER 126 CO 0.02 1.48 -0.58 0.25 -1.14 0.00 0.00 176.83 176.85 2kwb h LEU 127 N 0.09 0.14 -0.06 5.07 5.85 0.72 -2.92 115.31 124.20 2kwb h LEU 127 Ca -0.20 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2kwb h LEU 127 Cb 2.04 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.03 2kwb h LEU 127 CO 0.21 0.69 0.00 0.18 -0.34 0.00 0.00 178.44 179.18 2kwb n LEU 128 N -3.87 0.09 -4.56 2.25 4.77 0.37 -4.78 117.00 111.27 2kwb n LEU 128 Ca -0.02 -0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 2kwb n LEU 128 Cb 0.59 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 2kwb n LEU 128 CO 0.43 0.02 1.98 0.00 -1.33 0.00 0.00 177.39 178.48 2kwb n ALA 129 N -0.82 1.08 0.27 -1.18 0.00 -1.10 -4.83 120.51 113.92 2kwb n ALA 129 Ca 0.18 -0.67 0.15 0.00 0.00 0.00 0.00 53.44 53.10 2kwb n ALA 129 Cb 0.10 -3.06 0.76 0.00 0.00 0.00 0.00 19.45 17.25 2kwb n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kwb h LYS 130 N 17.67 0.00 0.02 0.00 3.64 -1.92 -0.15 116.57 135.83 2kwb h LYS 130 Ca -0.28 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.89 2kwb h LYS 130 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2kwb h LYS 130 CO 1.10 0.09 -0.96 -0.44 -2.27 0.00 0.00 179.45 176.98 2kwb h ASP 131 N 0.00 0.16 0.00 4.20 3.32 -2.00 -3.21 116.42 118.90 2kwb h ASP 131 Ca -0.00 -0.15 -0.23 0.00 0.02 0.00 0.00 57.03 56.67 2kwb h ASP 131 Cb 0.36 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2kwb h ASP 131 CO 0.01 1.03 -1.67 -1.14 -1.72 0.00 0.00 179.24 175.75 2kwb n ARG 132 N -3.53 0.34 0.00 3.56 0.63 -1.17 -4.70 116.66 111.78 2kwb n ARG 132 Ca -0.03 0.15 0.08 0.00 -0.92 0.00 0.00 57.85 57.13 2kwb n ARG 132 Cb 0.88 -1.07 0.43 0.00 0.45 0.00 0.00 32.46 33.14 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2kwb n PHE 133 N -3.79 0.00 0.03 -0.14 3.01 -0.08 -2.75 117.46 113.74 2kwb n PHE 133 Ca -0.28 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.40 2kwb n PHE 133 Cb 0.65 -0.28 0.71 0.00 -0.01 0.00 0.00 39.48 40.56 2kwb n PHE 133 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2kwb h LYS 134 N 0.00 0.00 -0.83 -1.08 2.10 -1.65 -1.02 116.57 114.10 2kwb h LYS 134 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kwb h LYS 134 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2kwb h LYS 134 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2kwb n ASN 135 N -3.72 1.36 -4.79 7.07 5.03 -1.11 -4.75 115.26 114.35 2kwb n ASN 135 Ca 0.10 -2.09 -0.39 0.00 0.87 0.00 0.00 54.58 53.08 2kwb n ASN 135 Cb 0.76 -0.45 -0.06 0.00 -1.02 0.00 0.00 39.78 39.01 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kwb s LEU 136 N -0.41 4.46 -0.24 3.41 1.43 -0.39 -4.53 118.68 122.41 2kwb s LEU 136 Ca 0.06 1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 54.22 2kwb s LEU 136 Cb 0.04 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 2kwb s LEU 136 CO 0.02 0.19 0.15 0.00 0.23 0.00 0.00 176.35 176.94 2kwb s ALA 137 N -0.62 3.53 -0.45 4.21 0.00 -0.61 -4.47 121.76 123.34 2kwb s ALA 137 Ca 0.29 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 2kwb s ALA 137 Cb -0.18 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.70 2kwb s ALA 137 CO 0.17 -0.27 0.34 -0.06 0.00 0.00 0.00 175.76 175.94 2kwb s PHE 138 N 1.21 3.26 -0.11 0.00 0.08 -0.37 -0.65 117.98 121.40 2kwb s PHE 138 Ca 0.07 -1.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.00 2kwb s PHE 138 Cb -0.14 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.27 2kwb s PHE 138 CO 0.06 -0.77 0.24 -0.06 -0.10 0.00 0.00 175.22 174.59 2kwb s PHE 139 N 1.60 3.57 0.03 0.36 0.40 -0.12 0.24 117.98 124.05 2kwb s PHE 139 Ca 0.04 0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 57.00 2kwb s PHE 139 Cb -0.23 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 2kwb s PHE 139 CO 0.06 0.53 -0.03 -1.50 0.70 0.00 0.00 175.22 174.98 2kwb s ILE 140 N -0.47 0.16 0.10 0.64 2.07 -0.65 0.13 121.20 123.18 2kwb s ILE 140 Ca 0.17 -1.33 -0.31 0.00 -1.41 0.00 0.00 60.65 57.76 2kwb s ILE 140 Cb -0.13 -0.85 -0.09 0.00 0.13 0.00 0.00 42.46 41.51 2kwb s ILE 140 CO 0.05 -0.73 1.70 -0.83 -1.91 0.00 0.00 174.94 173.22 2kwb s GLY 141 N -2.15 1.47 0.23 1.50 0.00 -1.26 -1.73 107.32 105.38 2kwb s GLY 141 Ca -0.05 1.32 -0.09 0.00 0.00 0.00 0.00 44.72 45.90 2kwb s GLY 141 CO -0.05 2.94 1.66 -2.09 0.00 0.00 0.00 173.10 175.56 2kwb h GLU 142 N 8.17 0.14 -0.46 2.90 4.81 -1.92 0.24 114.58 128.46 2kwb h GLU 142 Ca -0.44 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2kwb h GLU 142 Cb 1.21 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 2kwb h GLU 142 CO 0.93 0.09 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.98 2kwb h ARG 143 N 0.14 -0.14 0.00 1.92 2.43 -1.96 -1.73 114.38 115.04 2kwb h ARG 143 Ca 0.37 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2kwb h ARG 143 Cb 0.62 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2kwb h ARG 143 CO -0.56 -0.09 -0.35 0.00 -1.51 0.00 0.00 179.97 177.46 2kwb h ALA 144 N 1.12 1.23 0.00 2.80 0.00 -1.13 -2.84 119.26 120.44 2kwb h ALA 144 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kwb h ALA 144 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kwb h ALA 144 CO -0.55 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2kwb h ALA 145 N 1.65 1.00 0.00 0.00 0.00 0.27 -1.69 119.26 120.49 2kwb h ALA 145 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kwb h ALA 145 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kwb h ALA 145 CO 0.05 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2kwb n GLU 146 N -2.74 0.07 -1.02 0.00 -0.58 -1.07 -4.84 120.64 110.45 2kwb n GLU 146 Ca -0.00 0.27 -0.01 0.00 -0.42 0.00 0.00 57.16 57.00 2kwb n GLU 146 Cb 0.19 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2kwb n GLU 146 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kwb n GLY 147 N -0.47 0.46 0.08 0.62 0.00 -0.64 -4.95 105.19 100.29 2kwb n GLY 147 Ca 0.03 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 148 N 1.01 0.66 0.05 4.61 0.00 -1.25 -4.62 120.51 120.97 2kwb n ALA 148 Ca -0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 2kwb n ALA 148 Cb 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 2kwb n ALA 148 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kwb h GLU 149 N -0.91 0.44 -4.49 0.00 3.07 -1.80 -3.48 114.58 107.41 2kwb h GLU 149 Ca 0.00 -0.41 -0.40 0.00 -0.50 0.00 0.00 59.36 58.05 2kwb h GLU 149 Cb 0.75 0.10 0.03 0.00 -0.84 0.00 0.00 28.75 28.79 2kwb h GLU 149 CO 0.00 1.06 -0.58 0.09 -1.40 0.00 0.00 179.01 178.18 2kwb n ASN 150 N -3.80 -5.61 -4.43 1.42 4.13 -1.21 -4.78 115.26 100.98 2kwb n ASN 150 Ca -0.06 -0.26 -0.32 0.00 1.68 0.00 0.00 54.58 55.62 2kwb n ASN 150 Cb 0.78 -4.57 0.15 0.00 -1.54 0.00 0.00 39.78 34.60 2kwb n ASN 150 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kwb n GLY 151 N -1.39 -1.84 3.75 7.41 0.00 -1.26 -4.84 105.19 107.02 2kwb n GLY 151 Ca -0.11 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2kwb n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kwb n GLN 152 N -2.41 1.96 -3.27 1.61 10.64 -1.26 -4.91 117.38 119.74 2kwb n GLN 152 Ca 0.06 0.71 -0.39 0.00 -1.83 0.00 0.00 57.00 55.55 2kwb n GLN 152 Cb 0.55 -2.59 -0.06 0.00 -0.86 0.00 0.00 30.24 27.28 2kwb n GLN 152 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2kwb s VAL 153 N -1.24 5.14 -0.33 -0.39 1.01 -1.26 -4.61 120.40 118.72 2kwb s VAL 153 Ca 0.66 0.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 2kwb s VAL 153 Cb -0.44 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2kwb s VAL 153 CO 0.53 0.26 0.86 0.00 0.00 0.00 0.00 175.10 176.75 2kwb s ALA 154 N 1.07 3.49 -0.18 5.51 0.00 0.12 -4.92 121.76 126.85 2kwb s ALA 154 Ca 0.26 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 2kwb s ALA 154 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2kwb s ALA 154 CO 0.10 -1.36 0.64 0.42 0.00 0.00 0.00 175.76 175.56 2kwb s ILE 155 N 3.18 5.02 -0.23 0.00 1.01 -1.06 -0.95 121.20 128.18 2kwb s ILE 155 Ca 0.35 1.22 -0.05 0.00 0.00 0.00 0.00 60.65 62.18 2kwb s ILE 155 Cb -0.13 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 2kwb s ILE 155 CO 0.15 0.13 -0.02 -0.63 0.00 0.00 0.00 174.94 174.57 2kwb s ILE 156 N 1.75 3.60 -0.17 2.92 -1.09 0.18 0.17 121.20 128.55 2kwb s ILE 156 Ca 0.30 -0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 58.26 2kwb s ILE 156 Cb -0.16 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2kwb s ILE 156 CO 0.11 0.40 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.52 2kwb s GLU 157 N 1.49 3.73 -0.96 2.79 2.12 -0.08 -1.58 118.70 126.20 2kwb s GLU 157 Ca 0.06 -0.48 -0.24 0.00 0.36 0.00 0.00 54.97 54.67 2kwb s GLU 157 Cb -0.14 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 2kwb s GLU 157 CO -0.01 0.20 1.81 0.71 -0.54 0.00 0.00 175.26 177.43 2kwb s TYR 158 N 0.50 2.03 -0.07 5.30 2.02 -1.26 0.11 117.35 125.98 2kwb s TYR 158 Ca -0.01 0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.70 2kwb s TYR 158 Cb -0.14 -4.23 -0.05 0.00 -0.40 0.00 0.00 41.96 37.15 2kwb s TYR 158 CO 0.02 -1.76 0.46 0.50 -1.57 0.00 0.00 175.55 173.20 2kwb s ARG 159 N 6.38 4.20 -0.19 -0.62 6.06 -0.91 -4.89 118.95 128.98 2kwb s ARG 159 Ca 0.63 0.45 -0.21 0.00 -2.50 0.00 0.00 55.73 54.11 2kwb s ARG 159 Cb -0.04 -3.35 -0.03 0.00 0.06 0.00 0.00 34.95 31.59 2kwb s ARG 159 CO -0.02 0.37 0.64 0.16 -2.50 0.00 0.00 175.30 173.95 2kwb s ASP 160 N -0.06 6.71 -0.26 -2.12 -4.77 -1.26 -0.26 116.67 114.65 2kwb s ASP 160 Ca 0.25 0.87 -0.01 0.00 -3.30 0.00 0.00 52.55 50.36 2kwb s ASP 160 Cb -0.16 -2.36 0.08 0.00 -1.09 0.00 0.00 42.92 39.40 2kwb s ASP 160 CO 0.12 -0.27 0.04 -0.69 0.70 0.00 0.00 175.17 175.07 2kwb s VAL 161 N 1.84 1.06 -1.46 2.11 1.01 0.30 -4.87 120.40 120.39 2kwb s VAL 161 Ca 0.30 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2kwb s VAL 161 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2kwb s VAL 161 CO 0.11 -0.41 0.10 -0.67 0.00 0.00 0.00 175.10 174.23 2kwb n ASP 162 N 4.81 -5.06 0.00 3.32 2.03 -1.26 -1.14 116.55 119.25 2kwb n ASP 162 Ca -0.06 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2kwb n ASP 162 Cb 0.44 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 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 -1.01 2.58 3.86 0.27 0.00 -1.26 -5.08 105.19 104.55 2kwb n GLY 163 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.46 4.88 -0.61 2.61 -4.23 -0.29 -4.99 115.64 110.55 2kwb s THR 164 Ca 0.00 0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 2kwb s THR 164 Cb 0.00 -3.65 0.15 0.00 1.34 0.00 0.00 72.50 70.34 2kwb s THR 164 CO 0.00 0.01 0.53 -1.83 -0.54 0.00 0.00 174.62 172.78 2kwb s GLU 165 N -2.59 2.98 -0.42 3.99 1.03 -1.26 -0.54 118.70 121.88 2kwb s GLU 165 Ca 0.45 -2.00 -0.11 0.00 0.03 0.00 0.00 54.97 53.34 2kwb s GLU 165 Cb -0.12 -4.18 0.06 0.00 -0.80 0.00 0.00 34.13 29.09 2kwb s GLU 165 CO 0.20 -1.27 0.28 0.14 -1.33 0.00 0.00 175.26 173.28 2kwb s VAL 166 N 1.00 4.61 -0.13 1.83 -7.23 0.64 -4.87 120.40 116.25 2kwb s VAL 166 Ca 0.09 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 2kwb s VAL 166 Cb -0.23 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 32.93 2kwb s VAL 166 CO -0.02 -0.44 2.01 -2.84 -0.31 0.00 0.00 175.10 173.50 2kwb s PRO 167 N 1.52 3.60 -0.16 4.82 0.02 -1.25 -2.13 135.00 141.41 2kwb s PRO 167 Ca 0.03 2.15 -0.10 0.00 0.02 0.00 0.00 61.00 63.10 2kwb s PRO 167 Cb -0.22 -4.24 -0.05 0.00 0.02 0.00 0.00 34.50 30.01 2kwb s PRO 167 CO 0.05 -1.56 0.17 0.99 -0.33 0.00 0.00 177.00 176.31 2kwb s THR 168 N 6.40 5.41 0.26 0.99 2.01 0.12 -0.39 115.64 130.43 2kwb s THR 168 Ca 0.91 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 2kwb s THR 168 Cb -0.35 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 2kwb s THR 168 CO 0.36 0.49 1.00 -0.22 -0.69 0.00 0.00 174.62 175.56 2kwb s LEU 169 N -0.05 4.61 -0.10 4.42 2.96 0.66 -0.91 118.68 130.27 2kwb s LEU 169 Ca 0.12 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 56.11 2kwb s LEU 169 Cb -0.12 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.97 2kwb s LEU 169 CO 0.01 0.04 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.93 2kwb s MET 170 N -1.30 1.79 -0.03 1.98 -1.94 0.13 -2.24 119.30 117.69 2kwb s MET 170 Ca 0.43 -0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 54.00 2kwb s MET 170 Cb -0.28 -1.63 0.03 0.00 2.01 0.00 0.00 34.83 34.96 2kwb s MET 170 CO 0.35 -0.13 0.06 -0.51 -0.01 0.00 0.00 175.02 174.79 2kwb s LEU 171 N 1.20 1.02 -0.02 -0.03 1.43 -0.95 -2.57 118.68 118.75 2kwb s LEU 171 Ca -0.04 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 2kwb s LEU 171 Cb -0.14 0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 2kwb s LEU 171 CO -0.03 -0.13 0.99 -0.69 0.23 0.00 0.00 176.35 176.72 2kwb s VAL 172 N 1.04 4.85 -0.64 -1.59 1.01 -1.26 -0.04 120.40 123.78 2kwb s VAL 172 Ca -0.08 2.05 0.26 0.00 0.00 0.00 0.00 61.98 64.21 2kwb s VAL 172 Cb -0.12 -4.32 0.28 0.00 0.00 0.00 0.00 36.38 32.23 2kwb s VAL 172 CO -0.04 0.13 1.76 0.07 0.00 0.00 0.00 175.10 177.02 2kwb h LYS 173 N 6.85 0.00 -0.20 2.72 5.09 -1.51 -2.83 116.57 126.69 2kwb h LYS 173 Ca -0.39 0.00 0.06 0.00 0.09 0.00 0.00 60.65 60.41 2kwb h LYS 173 Cb 1.21 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.53 2kwb h LYS 173 CO 0.77 0.00 0.18 0.93 -2.09 0.00 0.00 179.45 179.24 2kwb h GLU 174 N 0.00 0.00 0.03 0.07 3.07 -1.93 -3.20 114.58 112.62 2kwb h GLU 174 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 2kwb h GLU 174 Cb 0.66 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.52 2kwb h GLU 174 CO 0.00 0.00 -2.31 0.00 -1.40 0.00 0.00 179.01 175.30 2kwb n ALA 175 N -2.45 1.23 -2.59 3.43 0.00 -1.07 -4.90 120.51 114.15 2kwb n ALA 175 Ca 0.02 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 52.11 2kwb n ALA 175 Cb 0.31 -0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.47 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 5.16 -0.34 0.00 -4.36 -1.20 -1.14 121.20 116.81 2kwb s ILE 176 Ca -0.33 0.43 -0.17 0.00 -0.26 0.00 0.00 60.65 60.33 2kwb s ILE 176 Cb 0.09 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.05 2kwb s ILE 176 CO 0.61 0.07 0.45 -0.63 0.24 0.00 0.00 174.94 175.69 2kwb s ILE 177 N 2.08 5.08 -0.38 8.37 1.09 0.32 -4.73 121.20 133.04 2kwb s ILE 177 Ca 0.14 0.29 -0.15 0.00 -1.10 0.00 0.00 60.65 59.83 2kwb s ILE 177 Cb -0.16 -3.89 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 2kwb s ILE 177 CO 0.11 -0.14 0.35 -1.61 -0.10 0.00 0.00 174.94 173.55 2kwb s GLU 178 N 2.24 3.32 -0.24 2.79 0.41 -1.26 -2.24 118.70 123.72 2kwb s GLU 178 Ca 0.16 -0.65 -0.13 0.00 -0.41 0.00 0.00 54.97 53.94 2kwb s GLU 178 Cb -0.16 -3.88 -0.04 0.00 -1.78 0.00 0.00 34.13 28.27 2kwb s GLU 178 CO 0.12 -0.65 0.27 -1.21 -0.49 0.00 0.00 175.26 173.31 2kwb s GLU 179 N 1.95 4.06 -0.59 1.61 0.41 0.67 -4.96 118.70 121.85 2kwb s GLU 179 Ca 0.10 -0.10 -0.12 0.00 -0.41 0.00 0.00 54.97 54.44 2kwb s GLU 179 Cb -0.17 -3.59 0.15 0.00 -1.78 0.00 0.00 34.13 28.74 2kwb s GLU 179 CO 0.12 -0.08 0.50 -1.59 -0.49 0.00 0.00 175.26 173.71 2kwb s LYS 180 N 1.47 2.90 -0.42 1.61 -2.85 -1.26 -1.04 119.74 120.16 2kwb s LYS 180 Ca 0.12 -1.97 0.02 0.00 -1.00 0.00 0.00 55.97 53.13 2kwb s LYS 180 Cb -0.15 -4.14 0.14 0.00 -2.06 0.00 0.00 37.83 31.62 2kwb s LYS 180 CO 0.08 -1.26 0.25 0.00 0.10 0.00 0.00 175.35 174.51 2kwb s LEU 182 N 0.51 3.57 0.00 0.00 1.02 -1.25 0.15 118.68 122.67 2kwb s LEU 182 Ca 0.19 -0.15 0.32 0.00 0.02 0.00 0.00 54.13 54.51 2kwb s LEU 182 Cb -0.21 -1.96 1.82 0.00 0.02 0.00 0.00 46.19 45.86 2kwb s LEU 182 CO -0.02 -0.02 2.18 -0.62 0.02 0.00 0.00 176.35 177.89