#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 4.47 -0.15 4.03 2.96 -0.93 -3.53 118.68 125.53 2kwb s LEU 2 Ca 0.00 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2kwb s LEU 2 Cb 0.00 -2.66 0.03 0.00 0.50 0.00 0.00 46.19 44.06 2kwb s LEU 2 CO 0.00 0.28 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.57 2kwb s ILE 3 N -0.92 1.43 0.12 6.68 1.01 -0.93 -0.48 121.20 128.11 2kwb s ILE 3 Ca 0.25 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.41 2kwb s ILE 3 Cb -0.17 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2kwb s ILE 3 CO 0.14 0.39 -0.25 -0.72 0.00 0.00 0.00 174.94 174.51 2kwb s TYR 4 N 1.54 2.12 -0.06 3.97 1.13 -0.15 -0.01 117.35 125.89 2kwb s TYR 4 Ca 0.04 -0.39 -0.03 0.00 -1.41 0.00 0.00 57.07 55.28 2kwb s TYR 4 Cb -0.13 -1.16 0.04 0.00 -1.10 0.00 0.00 41.96 39.61 2kwb s TYR 4 CO -0.10 0.29 0.13 -1.59 -2.51 0.00 0.00 175.55 171.77 2kwb s LYS 5 N -1.98 0.05 0.64 -3.49 -2.85 -0.58 -2.57 119.74 108.97 2kwb s LYS 5 Ca 0.11 0.40 0.06 0.00 -1.00 0.00 0.00 55.97 55.54 2kwb s LYS 5 Cb -0.10 -0.22 0.11 0.00 -2.06 0.00 0.00 37.83 35.56 2kwb s LYS 5 CO 0.05 -0.21 0.88 0.16 0.10 0.00 0.00 175.35 176.34 2kwb s ASP 6 N 1.47 4.76 0.44 0.03 1.47 -1.26 -1.76 116.67 121.83 2kwb s ASP 6 Ca -0.06 -0.74 0.25 0.00 1.18 0.00 0.00 52.55 53.19 2kwb s ASP 6 Cb -0.12 0.31 1.28 0.00 -0.34 0.00 0.00 42.92 44.05 2kwb s ASP 6 CO -0.05 -1.59 1.74 0.40 0.68 0.00 0.00 175.17 176.35 2kwb h ILE 7 N -0.12 0.40 0.00 2.11 2.04 -1.96 -2.98 117.51 117.01 2kwb h ILE 7 Ca -0.31 -0.08 -0.46 0.00 1.00 0.00 0.00 64.86 65.01 2kwb h ILE 7 Cb 1.28 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2kwb h ILE 7 CO 0.39 0.04 -2.54 0.49 0.00 0.00 0.00 178.15 176.54 2kwb n PHE 8 N -4.53 0.00 0.78 1.37 3.01 -1.26 -4.47 117.46 112.36 2kwb n PHE 8 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.74 2kwb n PHE 8 Cb 1.10 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2kwb n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2kwb n THR 9 N -4.19 0.00 -0.34 4.37 -2.24 -1.19 -4.02 114.28 106.68 2kwb n THR 9 Ca -0.54 0.00 0.32 0.00 -2.27 0.00 0.00 64.05 61.56 2kwb n THR 9 Cb 0.89 -0.25 0.68 0.00 -2.10 0.00 0.00 70.33 69.54 2kwb n THR 9 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kwb h ASP 10 N 0.24 0.15 0.38 3.42 1.82 -1.74 0.29 116.42 120.98 2kwb h ASP 10 Ca 0.00 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 2kwb h ASP 10 Cb 0.13 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2kwb h ASP 10 CO 0.00 0.01 -0.18 -0.78 -1.61 0.00 0.00 179.24 176.68 2kwb h ASP 11 N 0.12 -0.44 0.00 2.28 3.58 -1.92 -3.41 116.42 116.64 2kwb h ASP 11 Ca 0.59 0.02 -0.33 0.00 0.42 0.00 0.00 57.03 57.73 2kwb h ASP 11 Cb 2.09 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 43.19 2kwb h ASP 11 CO -0.12 -0.10 -2.25 -0.62 -2.88 0.00 0.00 179.24 173.28 2kwb n GLU 12 N -4.57 0.93 -0.00 0.28 1.02 -1.09 -5.10 120.64 112.10 2kwb n GLU 12 Ca -0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kwb n GLU 12 Cb 0.20 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2kwb n GLU 12 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2kwb n LEU 13 N -2.82 0.00 -3.92 -4.62 -0.00 0.10 -5.00 117.00 100.74 2kwb n LEU 13 Ca -0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.59 2kwb n LEU 13 Cb 1.03 -0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 44.35 2kwb n LEU 13 CO 0.33 -0.03 0.05 -0.44 -0.00 0.00 0.00 177.39 177.30 2kwb s SER 14 N -3.78 -0.03 0.42 1.45 0.01 -1.06 -5.05 113.70 105.65 2kwb s SER 14 Ca 0.00 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 56.53 2kwb s SER 14 Cb 0.00 0.48 -0.05 0.00 0.21 0.00 0.00 66.02 66.65 2kwb s SER 14 CO 0.00 -0.95 0.17 -0.55 0.41 0.00 0.00 173.24 172.33 2kwb s SER 15 N -2.96 4.40 0.25 2.44 0.15 -1.26 -0.98 113.70 115.73 2kwb s SER 15 Ca 0.16 -1.10 -0.15 0.00 0.70 0.00 0.00 55.95 55.56 2kwb s SER 15 Cb 0.02 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 2kwb s SER 15 CO 0.00 -0.55 0.54 -0.62 1.20 0.00 0.00 173.24 173.82 2kwb s ASP 16 N -3.90 -0.15 0.00 5.45 2.15 0.36 -4.94 116.67 115.64 2kwb s ASP 16 Ca 0.40 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.60 2kwb s ASP 16 Cb 0.04 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.28 2kwb s ASP 16 CO 0.22 -1.18 0.68 -1.54 -0.17 0.00 0.00 175.17 173.19 2kwb n SER 17 N -0.39 0.00 -4.70 -0.34 3.41 -1.26 -2.18 113.62 108.16 2kwb n SER 17 Ca -0.03 -1.39 -0.29 0.00 -0.26 0.00 0.00 58.87 56.89 2kwb n SER 17 Cb 0.61 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 2.99 -0.40 7.33 0.08 -1.26 -5.08 117.98 121.65 2kwb s PHE 18 Ca 0.00 -0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 2kwb s PHE 18 Cb 0.00 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 2kwb s PHE 18 CO 0.00 0.49 1.26 -1.25 -0.10 0.00 0.00 175.22 175.62 2kwb s PRO 19 N -2.47 3.76 0.36 0.24 0.04 -1.26 -5.03 135.00 130.63 2kwb s PRO 19 Ca 0.27 0.90 0.08 0.00 0.04 0.00 0.00 61.00 62.29 2kwb s PRO 19 Cb -0.11 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 2kwb s PRO 19 CO 0.19 -1.32 0.31 -1.64 0.04 0.00 0.00 177.00 174.58 2kwb s MET 20 N 4.45 2.68 -0.05 4.56 -1.94 -1.26 -4.84 119.30 122.90 2kwb s MET 20 Ca 0.54 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 2kwb s MET 20 Cb -0.12 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.29 2kwb s MET 20 CO 0.28 0.02 -0.04 -1.59 -0.01 0.00 0.00 175.02 173.68 2kwb s LYS 21 N -4.03 0.85 -0.62 2.03 0.00 -1.02 -4.98 119.74 111.97 2kwb s LYS 21 Ca 0.43 -0.11 -0.23 0.00 0.00 0.00 0.00 55.97 56.06 2kwb s LYS 21 Cb -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 37.83 36.97 2kwb s LYS 21 CO 0.27 -0.09 0.94 -1.17 0.00 0.00 0.00 175.35 175.30 2kwb s LEU 22 N 0.97 4.33 0.06 2.77 2.96 -1.26 -0.66 118.68 127.83 2kwb s LEU 22 Ca -0.10 -0.80 -0.20 0.00 -0.22 0.00 0.00 54.13 52.81 2kwb s LEU 22 Cb -0.14 -2.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 2kwb s LEU 22 CO -0.00 -1.35 0.57 0.54 -1.32 0.00 0.00 176.35 174.79 2kwb s VAL 23 N 3.97 4.77 -1.08 1.68 0.11 0.11 -3.93 120.40 126.02 2kwb s VAL 23 Ca 0.24 1.22 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 2kwb s VAL 23 Cb -0.16 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 2kwb s VAL 23 CO 0.13 0.53 0.00 0.47 -3.33 0.00 0.00 175.10 172.90 2kwb n ASP 24 N 1.90 -4.63 -2.10 3.54 9.92 -1.26 -1.81 116.55 122.12 2kwb n ASP 24 Ca -0.10 0.25 -0.13 0.00 -0.53 0.00 0.00 54.79 54.28 2kwb n ASP 24 Cb 0.51 -3.60 -0.02 0.00 -0.64 0.00 0.00 41.12 37.37 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 -0.66 -3.96 0.00 -2.24 8.00 -1.25 -4.77 116.55 111.67 2kwb n ASP 25 Ca -0.10 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2kwb n ASP 25 Cb 0.50 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 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 -2.52 1.22 -4.07 0.64 7.94 -0.75 -4.95 117.00 114.51 2kwb n LEU 26 Ca -0.15 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.58 2kwb n LEU 26 Cb 0.56 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.38 2kwb n LEU 26 CO 0.19 0.19 -0.43 0.68 -1.11 0.00 0.00 177.39 176.91 2kwb s VAL 27 N -1.97 0.73 0.20 1.96 -7.23 -1.06 -1.71 120.40 111.32 2kwb s VAL 27 Ca 0.00 -0.85 -0.17 0.00 -1.81 0.00 0.00 61.98 59.14 2kwb s VAL 27 Cb 0.00 -0.70 -0.08 0.00 0.56 0.00 0.00 36.38 36.16 2kwb s VAL 27 CO 0.00 -0.12 0.66 -0.31 -0.31 0.00 0.00 175.10 175.02 2kwb s TYR 28 N -0.88 3.62 0.03 2.82 2.02 0.91 0.05 117.35 125.92 2kwb s TYR 28 Ca -0.03 1.26 0.08 0.00 -0.37 0.00 0.00 57.07 58.01 2kwb s TYR 28 Cb -0.07 -2.53 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 2kwb s TYR 28 CO 0.01 0.36 -0.23 -1.21 -1.57 0.00 0.00 175.55 172.91 2kwb s GLU 29 N -2.01 1.99 -0.11 -0.62 2.02 0.16 -1.68 118.70 118.45 2kwb s GLU 29 Ca 0.42 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 2kwb s GLU 29 Cb -0.16 -2.09 0.03 0.00 0.10 0.00 0.00 34.13 32.02 2kwb s GLU 29 CO 0.20 0.54 -0.02 0.12 0.02 0.00 0.00 175.26 176.12 2kwb s PHE 30 N -0.81 1.05 -0.48 1.61 5.36 -0.66 -2.44 117.98 121.61 2kwb s PHE 30 Ca 0.12 -0.50 -0.26 0.00 -0.96 0.00 0.00 56.93 55.33 2kwb s PHE 30 Cb -0.10 -1.00 0.03 0.00 -0.34 0.00 0.00 43.02 41.60 2kwb s PHE 30 CO 0.02 -0.44 0.98 0.15 -1.46 0.00 0.00 175.22 174.47 2kwb s LYS 31 N 1.85 3.54 0.72 10.12 1.02 -1.26 -0.43 119.74 135.31 2kwb s LYS 31 Ca 0.04 0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.20 2kwb s LYS 31 Cb -0.13 -3.94 0.12 0.00 -0.52 0.00 0.00 37.83 33.36 2kwb s LYS 31 CO -0.07 -1.31 1.00 0.20 -0.92 0.00 0.00 175.35 174.25 2kwb s GLY 32 N 2.41 1.76 0.32 -3.33 0.00 -0.47 -5.02 107.32 102.98 2kwb s GLY 32 Ca 0.39 -1.61 0.10 0.00 0.00 0.00 0.00 44.72 43.60 2kwb s GLY 32 CO 0.27 -1.06 -0.09 -1.59 0.00 0.00 0.00 173.10 170.63 2kwb s LYS 33 N -5.17 1.88 -0.42 2.90 -2.85 -1.26 -4.53 119.74 110.30 2kwb s LYS 33 Ca 0.66 -1.80 -0.24 0.00 -1.00 0.00 0.00 55.97 53.58 2kwb s LYS 33 Cb -0.06 -1.81 0.02 0.00 -2.06 0.00 0.00 37.83 33.92 2kwb s LYS 33 CO 0.44 0.21 0.85 -1.01 0.10 0.00 0.00 175.35 175.94 2kwb s HIS 34 N -2.54 3.02 0.05 1.78 3.76 -1.26 -1.22 115.29 118.88 2kwb s HIS 34 Ca 0.32 0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 55.66 2kwb s HIS 34 Cb -0.01 -3.68 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 2kwb s HIS 34 CO 0.17 -0.92 -0.03 0.14 -0.85 0.00 0.00 174.74 173.24 2kwb s VAL 35 N 3.40 0.25 -0.05 -0.90 -7.23 -1.02 -4.66 120.40 110.20 2kwb s VAL 35 Ca 0.34 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2kwb s VAL 35 Cb -0.12 -1.45 0.03 0.00 0.56 0.00 0.00 36.38 35.40 2kwb s VAL 35 CO 0.22 -0.96 0.03 0.68 -0.31 0.00 0.00 175.10 174.76 2kwb s VAL 36 N -3.73 0.11 -0.49 1.32 -7.23 -0.84 -1.69 120.40 107.85 2kwb s VAL 36 Ca 0.06 0.25 -0.23 0.00 -1.81 0.00 0.00 61.98 60.25 2kwb s VAL 36 Cb 0.07 -0.30 0.04 0.00 0.56 0.00 0.00 36.38 36.74 2kwb s VAL 36 CO -0.09 0.20 0.83 -0.13 -0.31 0.00 0.00 175.10 175.59 2kwb s ARG 37 N 1.86 3.35 0.22 4.82 0.52 0.01 -3.06 118.95 126.66 2kwb s ARG 37 Ca 0.02 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2kwb s ARG 37 Cb -0.12 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 31.30 2kwb s ARG 37 CO -0.04 -1.26 -0.01 0.15 0.02 0.00 0.00 175.30 174.16 2kwb s LYS 38 N 3.46 1.30 -0.64 3.54 1.02 -0.05 -2.33 119.74 126.05 2kwb s LYS 38 Ca 0.28 -1.65 -0.12 0.00 0.02 0.00 0.00 55.97 54.51 2kwb s LYS 38 Cb -0.13 -0.57 -0.17 0.00 -0.52 0.00 0.00 37.83 36.44 2kwb s LYS 38 CO 0.20 -0.09 1.79 0.39 -0.92 0.00 0.00 175.35 176.72 2kwb n GLU 39 N -0.39 0.11 -0.33 1.68 -0.58 -1.26 -0.53 120.64 119.34 2kwb n GLU 39 Ca -0.05 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 2kwb n GLU 39 Cb 0.64 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kwb n GLY 40 N 5.48 0.83 3.06 0.62 0.00 -1.26 -5.07 105.19 108.85 2kwb n GLY 40 Ca 0.36 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 2kwb n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwb s GLU 41 N -0.67 0.74 0.00 1.61 2.02 0.31 -5.06 118.70 117.64 2kwb s GLU 41 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2kwb s GLU 41 Cb 0.00 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.54 2kwb s GLU 41 CO 0.00 0.18 0.00 1.51 0.02 0.00 0.00 175.26 176.97 2kwb n ILE 42 N 2.41 0.00 -2.88 -1.63 0.13 -1.17 -0.87 119.36 115.36 2kwb n ILE 42 Ca -0.16 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.06 2kwb n ILE 42 Cb 0.56 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.33 2kwb n ILE 42 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 2kwb s VAL 43 N -0.39 4.49 -0.23 9.51 -7.23 -1.26 -1.98 120.40 123.31 2kwb s VAL 43 Ca 0.00 -0.95 -0.33 0.00 -1.81 0.00 0.00 61.98 58.89 2kwb s VAL 43 Cb 0.00 -4.75 -0.10 0.00 0.56 0.00 0.00 36.38 32.09 2kwb s VAL 43 CO 0.00 -1.50 2.09 0.18 -0.31 0.00 0.00 175.10 175.56 2kwb n LEU 44 N 7.23 2.86 -0.04 1.32 7.99 -1.26 -4.82 117.00 130.29 2kwb n LEU 44 Ca 0.11 0.55 -0.09 0.00 -0.01 0.00 0.00 56.01 56.57 2kwb n LEU 44 Cb 0.47 -1.37 -0.03 0.00 -0.11 0.00 0.00 43.42 42.38 2kwb n LEU 44 CO 0.58 -0.49 -0.62 0.00 -1.51 0.00 0.00 177.39 175.34 2kwb n ALA 45 N 9.21 2.20 0.62 -1.18 0.00 -1.26 -4.77 120.51 125.34 2kwb n ALA 45 Ca 0.32 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2kwb n ALA 45 Cb 0.31 0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 2kwb n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kwb n GLY 46 N 2.45 -1.07 4.00 0.00 0.00 -1.26 -4.97 105.19 104.33 2kwb n GLY 46 Ca -0.15 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 2kwb n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kwb s SER 47 N -3.65 5.17 0.10 1.61 0.01 -1.26 -5.15 113.70 110.53 2kwb s SER 47 Ca 0.03 -0.79 0.09 0.00 1.31 0.00 0.00 55.95 56.59 2kwb s SER 47 Cb 0.15 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 2kwb s SER 47 CO 0.85 -1.12 -0.24 0.20 0.41 0.00 0.00 173.24 173.35 2kwb s ASN 48 N -4.50 2.86 0.19 2.44 -0.87 -1.26 -4.78 114.94 109.02 2kwb s ASN 48 Ca 0.56 -0.69 -0.33 0.00 -1.57 0.00 0.00 52.86 50.83 2kwb s ASN 48 Cb -0.06 -0.18 -0.13 0.00 -0.02 0.00 0.00 41.25 40.85 2kwb s ASN 48 CO 0.34 0.12 1.61 -2.65 -2.57 0.00 0.00 177.10 173.95 2kwb n PRO 49 N 1.12 2.35 -1.94 -0.60 -0.02 -1.26 -4.92 135.00 129.73 2kwb n PRO 49 Ca -0.19 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2kwb n PRO 49 Cb 0.53 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 2kwb n PRO 49 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kwb s SER 50 N 0.90 6.60 0.00 2.55 1.04 -1.26 -4.95 113.70 118.58 2kwb s SER 50 Ca 0.76 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.77 2kwb s SER 50 Cb -0.62 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 62.92 2kwb s SER 50 CO 0.38 -0.83 0.00 0.00 0.98 0.00 0.00 173.24 173.77 2kwb n ALA 51 N 4.26 0.53 -2.57 5.32 0.00 -1.26 -4.96 120.51 121.82 2kwb n ALA 51 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2kwb n ALA 51 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 2kwb n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 52 N 0.00 -2.60 -1.65 0.00 4.71 -1.26 -4.75 120.64 115.09 2kwb n GLU 52 Ca 0.00 0.33 -0.16 0.00 -0.01 0.00 0.00 57.16 57.32 2kwb n GLU 52 Cb 0.00 -4.89 -0.07 0.00 -1.01 0.00 0.00 31.44 25.47 2kwb n GLU 52 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2kwb s GLU 53 N -5.13 1.76 -0.40 3.49 2.12 -1.26 -1.90 118.70 117.39 2kwb s GLU 53 Ca 0.04 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 2kwb s GLU 53 Cb -0.02 -4.82 0.00 0.00 0.26 0.00 0.00 34.13 29.54 2kwb s GLU 53 CO 0.05 -4.26 0.11 0.41 -0.54 0.00 0.00 175.26 171.03 2kwb n GLY 54 N 6.80 0.32 2.38 -1.50 0.00 -1.26 -4.94 105.19 106.99 2kwb n GLY 54 Ca 0.45 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.96 7.11 0.00 4.61 0.00 -0.80 -4.80 120.51 124.68 2kwb n ALA 55 Ca -0.04 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.75 2kwb n ALA 55 Cb 0.53 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 2.54 0.00 -1.50 0.00 2.13 -1.26 -4.87 120.64 117.67 2kwb n GLU 56 Ca 0.68 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 58.06 2kwb n GLU 56 Cb 0.29 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.94 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kwb n ASP 57 N 2.11 1.99 -0.98 4.31 9.92 -1.26 -4.79 116.55 127.85 2kwb n ASP 57 Ca 0.00 0.06 0.09 0.00 -0.53 0.00 0.00 54.79 54.42 2kwb n ASP 57 Cb 0.00 -1.34 0.20 0.00 -0.64 0.00 0.00 41.12 39.34 2kwb n ASP 57 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kwb n ASP 58 N 12.04 3.25 -3.19 -2.24 5.75 -1.26 -4.65 116.55 126.25 2kwb n ASP 58 Ca 0.43 -1.93 -0.22 0.00 -0.01 0.00 0.00 54.79 53.06 2kwb n ASP 58 Cb 0.32 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kwb n GLY 59 N 1.18 3.41 3.24 6.12 0.00 -1.26 -5.01 105.19 112.86 2kwb n GLY 59 Ca 0.17 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 60 N -1.89 -0.35 -1.14 1.61 1.04 -1.26 -4.93 113.70 106.78 2kwb s SER 60 Ca 0.38 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.65 2kwb s SER 60 Cb 0.25 0.95 0.04 0.00 0.10 0.00 0.00 66.02 67.37 2kwb s SER 60 CO -0.09 -0.21 0.29 0.47 0.98 0.00 0.00 173.24 174.68 2kwb n ASP 61 N 4.73 -3.70 -0.26 7.02 9.92 -1.26 -4.85 116.55 128.16 2kwb n ASP 61 Ca -0.17 -0.13 -0.04 0.00 -0.53 0.00 0.00 54.79 53.92 2kwb n ASP 61 Cb 0.53 -3.10 0.12 0.00 -0.64 0.00 0.00 41.12 38.03 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2kwb h GLU 62 N -0.59 1.11 -1.13 -1.24 5.08 -1.95 -2.96 114.58 112.90 2kwb h GLU 62 Ca -0.36 -0.17 -0.49 0.00 -1.00 0.00 0.00 59.36 57.34 2kwb h GLU 62 Cb 1.25 -0.20 -0.24 0.00 0.50 0.00 0.00 28.75 30.07 2kwb h GLU 62 CO 0.44 0.87 0.63 0.72 -1.00 0.00 0.00 179.01 180.67 2kwb n HIS 63 N -4.31 2.52 -3.73 4.33 8.25 -1.26 -4.92 115.22 116.10 2kwb n HIS 63 Ca 0.07 -2.24 -0.37 0.00 -0.26 0.00 0.00 57.72 54.92 2kwb n HIS 63 Cb 0.15 -1.09 -0.06 0.00 1.12 0.00 0.00 29.99 30.11 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 -3.38 5.32 -1.40 1.59 1.01 -1.12 -5.01 120.40 117.40 2kwb s VAL 64 Ca 0.49 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 2kwb s VAL 64 Cb 0.39 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 33.33 2kwb s VAL 64 CO 0.03 0.60 2.33 -0.62 0.00 0.00 0.00 175.10 177.44 2kwb n GLU 65 N 1.92 3.80 -3.63 2.72 4.71 -0.98 -4.94 120.64 124.24 2kwb n GLU 65 Ca -0.18 -3.05 -0.37 0.00 -0.01 0.00 0.00 57.16 53.55 2kwb n GLU 65 Cb 0.54 -2.87 -0.07 0.00 -1.01 0.00 0.00 31.44 28.03 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2kwb s ARG 66 N 0.80 3.95 0.00 3.49 1.04 -1.26 -0.81 118.95 126.16 2kwb s ARG 66 Ca 0.52 0.10 0.00 0.00 -1.04 0.00 0.00 55.73 55.31 2kwb s ARG 66 Cb 0.15 -3.31 0.00 0.00 -2.04 0.00 0.00 34.95 29.75 2kwb s ARG 66 CO -0.06 0.50 0.00 0.41 -0.04 0.00 0.00 175.30 176.12 2kwb n GLY 67 N 2.61 -0.55 3.48 3.88 0.00 -0.68 -4.99 105.19 108.93 2kwb n GLY 67 Ca -0.15 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N 0.00 3.64 0.42 -0.61 -4.36 -1.26 -2.42 121.20 116.61 2kwb s ILE 68 Ca 0.00 -0.46 0.20 0.00 -0.26 0.00 0.00 60.65 60.13 2kwb s ILE 68 Cb 0.00 -2.56 0.40 0.00 1.25 0.00 0.00 42.46 41.55 2kwb s ILE 68 CO 0.00 0.52 1.81 -0.78 0.24 0.00 0.00 174.94 176.72 2kwb h ASP 69 N 6.50 0.39 -0.63 4.36 3.58 -1.46 -2.24 116.42 126.92 2kwb h ASP 69 Ca -0.32 0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.32 2kwb h ASP 69 Cb 1.19 -0.01 -0.12 0.00 1.72 0.00 0.00 39.33 42.12 2kwb h ASP 69 CO 0.59 0.11 -0.17 0.40 -2.88 0.00 0.00 179.24 177.30 2kwb h ILE 70 N 0.36 0.36 0.03 2.25 2.04 -1.94 -0.67 117.51 119.95 2kwb h ILE 70 Ca 0.54 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 66.09 2kwb h ILE 70 Cb 1.44 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2kwb h ILE 70 CO -0.22 0.00 -1.81 1.33 0.00 0.00 0.00 178.15 177.45 2kwb n VAL 71 N -5.43 1.65 -0.12 1.67 0.24 -0.88 -3.64 118.33 111.81 2kwb n VAL 71 Ca 0.07 -0.76 -0.05 0.00 -2.04 0.00 0.00 64.34 61.56 2kwb n VAL 71 Cb 0.33 -1.20 0.13 0.00 -1.47 0.00 0.00 33.84 31.63 2kwb n VAL 71 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2kwb h LEU 72 N 0.02 0.80 -0.60 1.34 3.38 -1.23 0.13 115.31 119.14 2kwb h LEU 72 Ca -0.33 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2kwb h LEU 72 Cb 2.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2kwb h LEU 72 CO 0.08 0.89 -0.06 -3.20 0.09 0.00 0.00 178.44 176.23 2kwb n ASN 73 N -4.19 0.99 0.00 -0.43 5.15 -0.28 -3.65 115.26 112.85 2kwb n ASN 73 Ca 0.02 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 2kwb n ASN 73 Cb 0.33 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 2kwb n ASN 73 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2kwb n HIS 74 N -0.36 0.00 -3.26 1.20 8.25 -1.00 -5.06 115.22 114.99 2kwb n HIS 74 Ca 0.18 -0.17 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 2kwb n HIS 74 Cb 0.30 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.17 -1.49 -5.05 -0.41 5.02 0.38 -4.85 118.16 111.60 2kwb n LYS 75 Ca 0.00 1.18 -0.32 0.00 -2.02 0.00 0.00 58.31 57.15 2kwb n LYS 75 Cb 0.15 -5.10 -0.15 0.00 -0.02 0.00 0.00 35.03 29.92 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwb s LEU 76 N -4.63 2.43 0.17 -0.35 1.43 -0.82 -1.91 118.68 114.99 2kwb s LEU 76 Ca 0.13 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2kwb s LEU 76 Cb -0.03 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 2kwb s LEU 76 CO 0.78 0.27 0.59 0.54 0.23 0.00 0.00 176.35 178.76 2kwb s VAL 77 N -0.32 4.80 -0.18 -1.59 0.11 0.09 -4.83 120.40 118.47 2kwb s VAL 77 Ca 0.02 0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 59.70 2kwb s VAL 77 Cb -0.13 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2kwb s VAL 77 CO 0.02 0.22 1.01 -0.70 -3.33 0.00 0.00 175.10 172.33 2kwb s GLU 78 N -2.00 4.32 0.17 1.54 2.12 -1.26 -2.50 118.70 121.09 2kwb s GLU 78 Ca 0.39 1.34 0.08 0.00 0.36 0.00 0.00 54.97 57.15 2kwb s GLU 78 Cb -0.15 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2kwb s GLU 78 CO 0.19 -0.50 -0.17 -1.64 -0.54 0.00 0.00 175.26 172.61 2kwb s MET 79 N 2.70 1.26 0.01 4.30 -1.94 0.90 -5.02 119.30 121.51 2kwb s MET 79 Ca 0.45 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 2kwb s MET 79 Cb -0.16 -1.27 -0.01 0.00 2.01 0.00 0.00 34.83 35.40 2kwb s MET 79 CO 0.11 0.25 -0.02 1.21 -0.01 0.00 0.00 175.02 176.55 2kwb s ASN 80 N -2.72 0.23 0.29 3.03 3.84 -1.26 -1.69 114.94 116.66 2kwb s ASN 80 Ca 0.16 -0.30 0.04 0.00 0.21 0.00 0.00 52.86 52.97 2kwb s ASN 80 Cb -0.05 0.05 0.75 0.00 -0.55 0.00 0.00 41.25 41.45 2kwb s ASN 80 CO 0.06 -0.16 1.68 0.00 -2.79 0.00 0.00 177.10 175.89 2kwb h TYR 82 N 0.32 0.17 0.00 0.00 -0.00 -1.97 -1.05 116.97 114.44 2kwb h TYR 82 Ca 0.57 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.96 2kwb h TYR 82 Cb 1.13 -0.06 -0.05 0.00 -0.00 0.00 0.00 36.73 37.75 2kwb h TYR 82 CO -0.17 0.08 -2.17 -1.91 -0.00 0.00 0.00 178.16 173.99 2kwb n GLU 83 N -4.44 0.46 0.00 0.10 0.00 -0.54 -4.62 120.64 111.59 2kwb n GLU 83 Ca 0.07 0.17 0.10 0.00 0.00 0.00 0.00 57.16 57.51 2kwb n GLU 83 Cb 0.42 -1.29 0.59 0.00 0.00 0.00 0.00 31.44 31.16 2kwb n GLU 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kwb n ASP 84 N -3.71 0.00 -0.38 4.31 2.03 0.08 -4.32 116.55 114.56 2kwb n ASP 84 Ca -0.40 -1.22 -0.07 0.00 0.52 0.00 0.00 54.79 53.62 2kwb n ASP 84 Cb 0.82 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.17 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kwb h ALA 85 N 3.51 -0.30 -0.21 -1.67 0.00 -1.39 0.11 119.26 119.31 2kwb h ALA 85 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2kwb h ALA 85 Cb 0.00 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kwb h ALA 85 CO 0.00 -0.84 -0.13 1.03 0.00 0.00 0.00 179.25 179.31 2kwb h SER 86 N -0.03 0.34 0.56 0.00 0.87 -1.87 -2.52 113.55 110.88 2kwb h SER 86 Ca 0.22 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2kwb h SER 86 Cb 0.49 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2kwb h SER 86 CO -0.92 0.50 -0.27 -0.03 -0.53 0.00 0.00 176.83 175.58 2kwb h MET 87 N 0.33 -0.72 -0.00 2.24 -1.53 -1.09 -1.39 114.93 112.76 2kwb h MET 87 Ca 0.06 0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.32 2kwb h MET 87 Cb 0.44 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.64 2kwb h MET 87 CO 0.03 -0.48 -0.27 0.27 0.14 0.00 0.00 176.91 176.59 2kwb h PHE 88 N -1.02 0.01 -0.70 1.39 -5.15 -1.53 -2.25 116.94 107.68 2kwb h PHE 88 Ca -0.08 -0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2kwb h PHE 88 Cb 0.57 -0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.70 2kwb h PHE 88 CO 0.03 0.28 0.43 -0.22 -2.00 0.00 0.00 178.31 176.83 2kwb h LYS 89 N 0.01 0.82 -0.26 6.09 3.64 -1.42 -0.75 116.57 124.70 2kwb h LYS 89 Ca -0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2kwb h LYS 89 Cb 0.49 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2kwb h LYS 89 CO 0.04 0.54 -0.18 0.00 -2.27 0.00 0.00 179.45 177.57 2kwb h ALA 90 N 1.30 1.21 -0.56 5.00 0.00 -0.69 -2.50 119.26 123.02 2kwb h ALA 90 Ca 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kwb h ALA 90 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kwb h ALA 90 CO -0.11 0.51 0.34 1.88 0.00 0.00 0.00 179.25 181.86 2kwb h TYR 91 N 0.41 0.75 -0.99 0.00 0.05 -0.87 -2.59 116.97 113.73 2kwb h TYR 91 Ca 0.07 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.95 2kwb h TYR 91 Cb 0.56 -0.24 -0.08 0.00 1.01 0.00 0.00 36.73 37.98 2kwb h TYR 91 CO 0.02 0.51 0.63 0.82 -1.05 0.00 0.00 178.16 179.09 2kwb h ILE 92 N 0.76 0.97 0.35 -2.88 1.08 -0.74 0.18 117.51 117.22 2kwb h ILE 92 Ca 0.20 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2kwb h ILE 92 Cb -0.01 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.57 2kwb h ILE 92 CO -0.04 0.19 -0.31 0.50 -0.69 0.00 0.00 178.15 177.80 2kwb h LYS 93 N 1.04 -0.62 -0.08 2.37 1.63 -1.11 -0.68 116.57 119.12 2kwb h LYS 93 Ca 0.47 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.27 2kwb h LYS 93 Cb 0.38 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2kwb h LYS 93 CO -0.24 -0.41 -0.15 0.87 -3.45 0.00 0.00 179.45 176.07 2kwb h LYS 94 N -0.64 0.12 0.78 1.90 1.57 -1.27 -0.37 116.57 118.67 2kwb h LYS 94 Ca -0.04 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2kwb h LYS 94 Cb 0.55 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.85 2kwb h LYS 94 CO -0.02 0.28 -0.38 0.35 -0.57 0.00 0.00 179.45 179.12 2kwb h PHE 95 N 0.12 -0.98 -0.82 -1.35 3.57 -0.55 -0.24 116.94 116.69 2kwb h PHE 95 Ca 0.02 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2kwb h PHE 95 Cb 0.34 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2kwb h PHE 95 CO 0.00 -0.59 0.54 1.98 -2.23 0.00 0.00 178.31 178.01 2kwb h MET 96 N -1.18 1.05 -0.37 1.11 4.05 -0.97 -1.29 114.93 117.33 2kwb h MET 96 Ca -0.11 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.30 2kwb h MET 96 Cb 0.82 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.34 2kwb h MET 96 CO 0.18 0.69 0.08 -0.22 0.23 0.00 0.00 176.91 177.87 2kwb h LYS 97 N 1.08 0.19 0.31 0.39 1.63 -1.05 -1.83 116.57 117.30 2kwb h LYS 97 Ca 0.31 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.09 2kwb h LYS 97 Cb -0.07 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2kwb h LYS 97 CO -0.08 0.13 -0.15 -0.97 -3.45 0.00 0.00 179.45 174.92 2kwb h ASN 98 N 0.20 -0.36 -0.85 4.20 -1.24 -0.60 -1.33 115.58 115.60 2kwb h ASN 98 Ca 0.18 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.03 2kwb h ASN 98 Cb 0.20 0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 2kwb h ASN 98 CO -0.23 -0.00 0.56 -0.37 -1.29 0.00 0.00 177.43 176.10 2kwb h VAL 99 N -0.75 1.21 -0.11 2.57 -1.51 -1.23 -0.92 116.25 115.50 2kwb h VAL 99 Ca -0.04 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 64.98 2kwb h VAL 99 Cb 0.50 -0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.63 2kwb h VAL 99 CO 0.07 0.21 -0.15 0.40 -1.23 0.00 0.00 177.57 176.87 2kwb h ILE 100 N 1.14 1.37 -0.05 7.19 1.08 -1.38 -1.50 117.51 125.35 2kwb h ILE 100 Ca 0.32 -1.37 0.01 0.00 -0.39 0.00 0.00 64.86 63.43 2kwb h ILE 100 Cb -0.11 2.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2kwb h ILE 100 CO -0.07 0.39 0.07 -0.78 -0.69 0.00 0.00 178.15 177.07 2kwb h ASP 101 N -0.12 0.00 0.54 1.72 3.58 -0.76 -0.56 116.42 120.82 2kwb h ASP 101 Ca 0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 2kwb h ASP 101 Cb 0.70 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.70 2kwb h ASP 101 CO 0.04 0.00 -1.64 -0.74 -2.88 0.00 0.00 179.24 174.02 2kwb h HIS 102 N 0.00 0.00 0.00 0.28 2.76 -1.12 -3.39 115.15 113.68 2kwb h HIS 102 Ca 0.02 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2kwb h HIS 102 Cb 0.17 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 2kwb h HIS 102 CO 0.00 0.98 -0.11 1.98 -1.30 0.00 0.00 177.93 179.48 2kwb h MET 103 N 0.00 0.00 0.00 5.26 1.85 -0.04 -3.36 114.93 118.65 2kwb h MET 103 Ca -0.26 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 2kwb h MET 103 Cb 1.98 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.01 2kwb h MET 103 CO 0.08 0.60 0.00 -0.85 -0.40 0.00 0.00 176.91 176.34 2kwb n GLU 104 N -4.66 0.03 -0.04 0.39 -0.00 -0.74 -0.30 120.64 115.32 2kwb n GLU 104 Ca -0.08 0.25 -0.10 0.00 -0.00 0.00 0.00 57.16 57.22 2kwb n GLU 104 Cb 0.31 -1.55 -0.04 0.00 -0.00 0.00 0.00 31.44 30.17 2kwb n GLU 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2kwb h LYS 105 N 0.00 0.24 0.00 3.44 1.79 -1.76 -2.97 116.57 117.32 2kwb h LYS 105 Ca 0.00 -0.02 -0.24 0.00 -2.18 0.00 0.00 60.65 58.21 2kwb h LYS 105 Cb 0.29 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2kwb h LYS 105 CO 0.00 0.20 -1.90 0.27 -1.08 0.00 0.00 179.45 176.93 2kwb n ASN 106 N -4.94 2.46 -2.20 0.86 6.94 -1.04 -4.66 115.26 112.68 2kwb n ASN 106 Ca -0.04 -0.06 -0.29 0.00 -0.02 0.00 0.00 54.58 54.18 2kwb n ASN 106 Cb 0.05 0.09 0.04 0.00 -2.36 0.00 0.00 39.78 37.60 2kwb n ASN 106 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kwb n ASN 107 N -2.81 5.99 -0.47 0.53 4.13 0.59 -4.78 115.26 118.45 2kwb n ASN 107 Ca -0.26 -3.77 0.42 0.00 1.68 0.00 0.00 54.58 52.65 2kwb n ASN 107 Cb 0.84 -0.60 0.77 0.00 -1.54 0.00 0.00 39.78 39.25 2kwb n ASN 107 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2kwb h ARG 108 N 2.18 0.02 -6.56 3.52 2.43 -1.61 -3.20 114.38 111.15 2kwb h ARG 108 Ca 0.46 -0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 59.03 2kwb h ARG 108 Cb 1.18 -0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.84 2kwb h ARG 108 CO 1.09 0.01 0.23 -0.25 -1.51 0.00 0.00 179.97 179.53 2kwb n ASP 109 N -4.13 1.66 0.30 -3.80 8.00 -1.26 -4.66 116.55 112.67 2kwb n ASP 109 Ca 0.33 1.17 0.20 0.00 0.71 0.00 0.00 54.79 57.19 2kwb n ASP 109 Cb 1.52 -1.35 0.91 0.00 -0.02 0.00 0.00 41.12 42.19 2kwb n ASP 109 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2kwb h LYS 110 N 2.08 0.00 0.00 -1.24 1.57 -2.00 -0.87 116.57 116.11 2kwb h LYS 110 Ca -0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 2kwb h LYS 110 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2kwb h LYS 110 CO 0.61 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 179.39 2kwb h ALA 111 N 2.00 0.95 0.00 3.86 0.00 -1.92 -3.20 119.26 120.95 2kwb h ALA 111 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kwb h ALA 111 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kwb h ALA 111 CO 0.00 0.11 -0.33 -0.25 0.00 0.00 0.00 179.25 178.79 2kwb n ASP 112 N -3.13 0.85 -0.15 0.00 9.92 -0.38 -4.00 116.55 119.67 2kwb n ASP 112 Ca 0.03 0.31 -0.07 0.00 -0.53 0.00 0.00 54.79 54.53 2kwb n ASP 112 Cb 0.55 -0.64 0.02 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.46 1.09 -0.59 2.53 -1.51 -1.44 -0.36 116.25 115.51 2kwb h VAL 113 Ca 0.00 -0.20 -0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2kwb h VAL 113 Cb 0.33 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 29.91 2kwb h VAL 113 CO 0.00 0.11 0.36 -0.78 -1.23 0.00 0.00 177.57 176.03 2kwb h ASP 114 N 0.59 0.71 -0.05 4.19 3.58 -1.77 0.41 116.42 124.07 2kwb h ASP 114 Ca 0.17 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kwb h ASP 114 Cb -0.04 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 2kwb h ASP 114 CO -0.06 0.56 0.02 0.00 -2.88 0.00 0.00 179.24 176.88 2kwb h ALA 115 N 1.18 0.07 0.18 -0.78 0.00 -1.62 0.11 119.26 118.40 2kwb h ALA 115 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kwb h ALA 115 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2kwb h ALA 115 CO -0.04 -0.34 -0.25 0.35 0.00 0.00 0.00 179.25 178.97 2kwb h PHE 116 N -0.08 -0.65 -0.10 0.00 3.57 -0.91 -1.36 116.94 117.41 2kwb h PHE 116 Ca 0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2kwb h PHE 116 Cb 0.18 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2kwb h PHE 116 CO -0.02 -0.35 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.47 2kwb h LYS 117 N -0.49 0.14 -0.43 1.11 3.64 -0.89 -2.28 116.57 117.38 2kwb h LYS 117 Ca 0.01 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2kwb h LYS 117 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2kwb h LYS 117 CO -0.09 0.18 0.03 -0.22 -2.27 0.00 0.00 179.45 177.08 2kwb h LYS 118 N 0.14 0.74 0.60 1.90 1.63 -0.26 0.06 116.57 121.39 2kwb h LYS 118 Ca 0.03 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 2kwb h LYS 118 Cb 0.14 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2kwb h LYS 118 CO 0.00 0.79 -0.41 0.87 -3.45 0.00 0.00 179.45 177.25 2kwb h LYS 119 N 0.58 -0.94 -0.70 1.90 6.56 -0.71 -0.40 116.57 122.86 2kwb h LYS 119 Ca 0.13 0.06 -0.06 0.00 -1.06 0.00 0.00 60.65 59.72 2kwb h LYS 119 Cb 0.44 0.21 -0.03 0.00 -0.57 0.00 0.00 32.23 32.28 2kwb h LYS 119 CO 0.02 -0.63 0.19 0.97 -2.06 0.00 0.00 179.45 177.94 2kwb h ILE 120 N -0.97 1.26 0.05 1.86 6.09 -1.45 -1.65 117.51 122.70 2kwb h ILE 120 Ca -0.07 -0.94 -0.00 0.00 -1.37 0.00 0.00 64.86 62.48 2kwb h ILE 120 Cb 0.81 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.63 2kwb h ILE 120 CO 0.04 0.36 -0.02 1.56 -3.07 0.00 0.00 178.15 177.02 2kwb h GLN 121 N 1.05 -0.07 -0.86 2.19 1.08 -0.99 -1.16 115.11 116.36 2kwb h GLN 121 Ca 0.22 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.56 2kwb h GLN 121 Cb 0.35 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.70 2kwb h GLN 121 CO -0.00 0.25 0.46 0.78 -0.95 0.00 0.00 178.83 179.37 2kwb h GLY 122 N -0.38 1.39 0.71 3.46 0.00 -0.97 0.11 103.07 107.39 2kwb h GLY 122 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2kwb h GLY 122 CO 0.01 0.02 -0.34 -0.25 0.00 0.00 0.00 176.54 175.98 2kwb h TRP 123 N 0.69 -0.88 -0.47 5.60 2.91 -1.21 -2.58 115.95 120.02 2kwb h TRP 123 Ca 0.45 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.45 2kwb h TRP 123 Cb 0.58 0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.50 2kwb h TRP 123 CO -0.07 -0.55 0.27 -0.39 -1.03 0.00 0.00 178.44 176.67 2kwb h VAL 124 N -1.07 1.16 -0.44 2.65 -1.51 -1.00 0.17 116.25 116.21 2kwb h VAL 124 Ca -0.10 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 2kwb h VAL 124 Cb 0.73 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 2kwb h VAL 124 CO 0.16 0.16 0.25 0.58 -1.23 0.00 0.00 177.57 177.49 2kwb h VAL 125 N 0.62 1.13 0.00 7.19 2.07 -0.87 0.48 116.25 126.88 2kwb h VAL 125 Ca 0.17 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 2kwb h VAL 125 Cb 0.02 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2kwb h VAL 125 CO -0.03 0.14 -0.91 0.28 0.02 0.00 0.00 177.57 177.07 2kwb h SER 126 N 0.61 0.00 1.12 0.57 0.02 -1.05 -3.33 113.55 111.48 2kwb h SER 126 Ca 0.16 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 2kwb h SER 126 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2kwb h SER 126 CO -0.03 0.91 -0.88 0.25 -1.14 0.00 0.00 176.83 175.94 2kwb h LEU 127 N 0.00 0.00 -0.54 5.07 5.85 0.62 -3.27 115.31 123.04 2kwb h LEU 127 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kwb h LEU 127 Cb 1.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2kwb h LEU 127 CO 0.12 0.88 0.00 0.18 -0.34 0.00 0.00 178.44 179.28 2kwb n LEU 128 N -3.32 0.83 -4.58 2.25 4.77 0.16 -4.72 117.00 112.39 2kwb n LEU 128 Ca 0.00 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.44 2kwb n LEU 128 Cb 0.89 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 2kwb n LEU 128 CO 0.45 0.16 1.33 0.00 -1.33 0.00 0.00 177.39 178.01 2kwb s ALA 129 N -1.94 1.28 -0.28 -1.18 0.00 -1.23 -4.77 121.76 113.64 2kwb s ALA 129 Ca 0.36 -1.78 0.23 0.00 0.00 0.00 0.00 51.96 50.78 2kwb s ALA 129 Cb 0.18 -4.67 1.13 0.00 0.00 0.00 0.00 23.12 19.77 2kwb s ALA 129 CO 0.29 -5.78 1.70 0.36 0.00 0.00 0.00 175.76 172.34 2kwb n LYS 130 N 8.35 0.17 -0.25 0.00 2.85 -1.26 -0.44 118.16 127.58 2kwb n LYS 130 Ca 0.43 0.56 -0.06 0.00 -1.05 0.00 0.00 58.31 58.20 2kwb n LYS 130 Cb 0.46 -1.95 0.05 0.00 -0.65 0.00 0.00 35.03 32.95 2kwb n LYS 130 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2kwb h ASP 131 N 0.00 0.87 0.00 -5.58 3.58 -1.99 -3.05 116.42 110.25 2kwb h ASP 131 Ca 0.00 -0.08 -0.25 0.00 0.42 0.00 0.00 57.03 57.12 2kwb h ASP 131 Cb 0.15 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2kwb h ASP 131 CO 0.00 0.70 -1.79 -1.14 -2.88 0.00 0.00 179.24 174.13 2kwb n ARG 132 N -4.51 0.33 0.00 0.28 3.00 -0.99 -4.70 116.66 110.07 2kwb n ARG 132 Ca 0.06 0.15 0.05 0.00 -0.00 0.00 0.00 57.85 58.11 2kwb n ARG 132 Cb 0.08 -1.06 0.27 0.00 0.00 0.00 0.00 32.46 31.74 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwb n PHE 133 N -3.74 0.00 0.00 -0.14 3.01 0.42 -3.46 117.46 113.55 2kwb n PHE 133 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.16 2kwb n PHE 133 Cb 0.69 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2kwb n PHE 133 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2kwb n LYS 134 N -1.22 0.00 0.00 -1.08 2.85 -1.15 -1.56 118.16 115.99 2kwb n LYS 134 Ca 0.06 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 2kwb n LYS 134 Cb 0.07 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 2kwb n LYS 134 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2kwb n ASN 135 N -1.10 0.29 -4.70 -5.58 6.94 -1.22 -4.81 115.26 105.06 2kwb n ASN 135 Ca 0.00 -1.75 -0.39 0.00 -0.02 0.00 0.00 54.58 52.42 2kwb n ASN 135 Cb 0.15 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.37 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kwb s LEU 136 N -0.67 4.25 -0.22 -4.53 1.43 -0.60 -4.39 118.68 113.94 2kwb s LEU 136 Ca 0.00 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 53.92 2kwb s LEU 136 Cb 0.00 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 2kwb s LEU 136 CO 0.00 -0.12 0.13 0.00 0.23 0.00 0.00 176.35 176.60 2kwb s ALA 137 N 1.08 3.61 -0.41 4.21 0.00 -0.75 -4.61 121.76 124.89 2kwb s ALA 137 Ca 0.30 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2kwb s ALA 137 Cb -0.16 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.77 2kwb s ALA 137 CO 0.13 -0.01 0.34 -0.06 0.00 0.00 0.00 175.76 176.15 2kwb s PHE 138 N 0.69 3.22 -0.06 0.00 0.40 -0.68 -1.20 117.98 120.35 2kwb s PHE 138 Ca 0.07 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 2kwb s PHE 138 Cb -0.12 -2.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 2kwb s PHE 138 CO 0.01 -0.60 -0.11 -0.06 0.70 0.00 0.00 175.22 175.16 2kwb s PHE 139 N 1.82 2.79 0.09 0.36 0.40 -0.94 -0.07 117.98 122.44 2kwb s PHE 139 Ca 0.07 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 2kwb s PHE 139 Cb -0.18 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 2kwb s PHE 139 CO 0.11 0.24 -0.10 -1.50 0.70 0.00 0.00 175.22 174.67 2kwb s ILE 140 N -0.76 0.91 -0.08 0.64 2.07 -1.04 -0.47 121.20 122.47 2kwb s ILE 140 Ca 0.12 -1.62 -0.38 0.00 -1.41 0.00 0.00 60.65 57.36 2kwb s ILE 140 Cb -0.11 -1.33 -0.16 0.00 0.13 0.00 0.00 42.46 40.99 2kwb s ILE 140 CO 0.01 -0.56 1.54 0.61 -1.91 0.00 0.00 174.94 174.63 2kwb n GLY 141 N 0.59 0.67 0.22 1.50 0.00 -1.26 -0.73 105.19 106.18 2kwb n GLY 141 Ca -0.16 0.81 -0.01 0.00 0.00 0.00 0.00 46.02 46.66 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 5.87 0.08 0.00 1.61 4.81 -1.71 0.03 114.58 125.27 2kwb h GLU 142 Ca -0.47 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2kwb h GLU 142 Cb 1.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2kwb h GLU 142 CO 0.86 0.05 -0.21 0.07 -0.73 0.00 0.00 179.01 179.06 2kwb h ARG 143 N 0.08 0.00 -0.47 1.92 0.11 -1.89 -3.32 114.38 110.81 2kwb h ARG 143 Ca 0.29 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.32 2kwb h ARG 143 Cb 0.45 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 2kwb h ARG 143 CO -0.51 0.21 0.10 0.00 0.10 0.00 0.00 179.97 179.87 2kwb h ALA 144 N 1.79 0.62 -0.30 0.08 0.00 -1.16 -2.59 119.26 117.70 2kwb h ALA 144 Ca -0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2kwb h ALA 144 Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kwb h ALA 144 CO 0.03 0.32 0.21 0.00 0.00 0.00 0.00 179.25 179.81 2kwb h ALA 145 N 0.97 2.14 0.00 0.00 0.00 -1.49 -0.89 119.26 119.99 2kwb h ALA 145 Ca 0.14 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2kwb h ALA 145 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kwb h ALA 145 CO 0.01 -0.21 -0.42 0.93 0.00 0.00 0.00 179.25 179.56 2kwb h GLU 146 N 0.11 0.00 0.00 0.00 5.08 -1.62 -3.46 114.58 114.68 2kwb h GLU 146 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kwb h GLU 146 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2kwb h GLU 146 CO -0.02 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 2kwb n GLY 147 N -0.11 0.68 3.44 -3.84 0.00 -0.34 -5.07 105.19 99.96 2kwb n GLY 147 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 148 N 0.00 2.25 -2.56 4.61 0.00 -1.13 -4.49 120.51 119.19 2kwb n ALA 148 Ca 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 53.44 50.31 2kwb n ALA 148 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 19.45 15.90 2kwb n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 149 N 7.89 -3.76 0.07 0.00 -0.58 -1.26 -4.08 120.64 118.91 2kwb n GLU 149 Ca 0.46 2.83 0.20 0.00 -0.42 0.00 0.00 57.16 60.23 2kwb n GLU 149 Cb 0.45 -3.80 0.74 0.00 -0.57 0.00 0.00 31.44 28.26 2kwb n GLU 149 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2kwb h ASN 150 N 4.34 0.00 -0.61 1.62 -0.26 -1.79 -3.42 115.58 115.47 2kwb h ASN 150 Ca -0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 2kwb h ASN 150 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 2kwb h ASN 150 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2kwb n GLY 151 N -1.54 -0.20 3.88 2.83 0.00 -1.26 -4.75 105.19 104.14 2kwb n GLY 151 Ca 0.07 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2kwb n GLY 151 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kwb s GLN 152 N 0.00 3.65 0.21 1.61 0.74 -1.26 -4.84 119.66 119.77 2kwb s GLN 152 Ca 0.00 0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.14 2kwb s GLN 152 Cb 0.00 -3.08 -0.08 0.00 1.10 0.00 0.00 33.01 30.95 2kwb s GLN 152 CO 0.00 0.64 1.01 0.08 -0.55 0.00 0.00 175.29 176.47 2kwb s VAL 153 N -1.29 4.01 -0.10 1.34 1.01 -1.26 -4.71 120.40 119.39 2kwb s VAL 153 Ca 0.28 1.87 -0.15 0.00 0.00 0.00 0.00 61.98 63.99 2kwb s VAL 153 Cb -0.14 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2kwb s VAL 153 CO 0.16 0.39 0.36 0.00 0.00 0.00 0.00 175.10 176.00 2kwb s ALA 154 N -0.74 3.61 -0.37 5.51 0.00 0.38 -4.93 121.76 125.22 2kwb s ALA 154 Ca 0.45 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 2kwb s ALA 154 Cb -0.27 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.43 2kwb s ALA 154 CO 0.34 0.22 0.60 0.42 0.00 0.00 0.00 175.76 177.34 2kwb s ILE 155 N -0.04 4.91 -0.42 0.00 -1.09 -1.06 -2.21 121.20 121.28 2kwb s ILE 155 Ca 0.21 0.39 -0.17 0.00 -2.23 0.00 0.00 60.65 58.84 2kwb s ILE 155 Cb -0.14 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2kwb s ILE 155 CO 0.08 -0.36 0.45 -0.63 -1.23 0.00 0.00 174.94 173.25 2kwb s ILE 156 N 2.64 5.07 -0.15 2.92 -1.09 -0.34 -0.49 121.20 129.76 2kwb s ILE 156 Ca 0.22 -0.32 -0.06 0.00 -2.23 0.00 0.00 60.65 58.26 2kwb s ILE 156 Cb -0.15 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2kwb s ILE 156 CO 0.15 -0.43 0.05 -0.70 -1.23 0.00 0.00 174.94 172.78 2kwb s GLU 157 N 2.18 3.69 -0.95 2.79 -6.30 -0.86 -1.81 118.70 117.43 2kwb s GLU 157 Ca 0.13 -0.36 -0.18 0.00 -2.50 0.00 0.00 54.97 52.06 2kwb s GLU 157 Cb -0.17 -3.09 0.14 0.00 0.00 0.00 0.00 34.13 31.01 2kwb s GLU 157 CO 0.14 0.41 1.13 0.71 0.02 0.00 0.00 175.26 177.67 2kwb s TYR 158 N -0.02 3.19 -0.40 5.30 2.02 -1.26 -0.59 117.35 125.58 2kwb s TYR 158 Ca 0.05 -1.49 -0.19 0.00 -0.37 0.00 0.00 57.07 55.07 2kwb s TYR 158 Cb -0.12 -4.26 0.01 0.00 -0.40 0.00 0.00 41.96 37.19 2kwb s TYR 158 CO 0.01 -1.45 0.55 0.50 -1.57 0.00 0.00 175.55 173.59 2kwb s ARG 159 N 2.45 3.36 -0.13 -0.62 3.52 0.46 -4.78 118.95 123.22 2kwb s ARG 159 Ca 0.33 -0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 55.26 2kwb s ARG 159 Cb -0.05 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 2kwb s ARG 159 CO -0.09 -0.84 1.54 0.34 -0.81 0.00 0.00 175.30 175.44 2kwb s ASP 160 N 1.87 6.68 -0.68 -2.12 2.15 -1.26 -0.90 116.67 122.41 2kwb s ASP 160 Ca 0.19 1.93 -0.11 0.00 0.43 0.00 0.00 52.55 55.00 2kwb s ASP 160 Cb -0.15 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.11 2kwb s ASP 160 CO 0.16 -0.96 0.58 -0.69 -0.17 0.00 0.00 175.17 174.08 2kwb s VAL 161 N 4.17 4.83 -0.84 1.11 1.01 0.56 -4.69 120.40 126.55 2kwb s VAL 161 Ca 0.68 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 60.31 2kwb s VAL 161 Cb -0.28 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2kwb s VAL 161 CO 0.25 -0.92 0.00 0.47 0.00 0.00 0.00 175.10 174.90 2kwb n ASP 162 N 4.18 -5.80 0.00 3.32 8.00 -1.26 -1.58 116.55 123.40 2kwb n ASP 162 Ca 0.05 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2kwb n ASP 162 Cb 0.43 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 163 N 0.45 1.28 3.22 0.44 0.00 -1.26 -5.10 105.19 104.22 2kwb n GLY 163 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.66 3.71 -0.49 2.61 2.01 -0.62 -5.06 115.64 117.14 2kwb s THR 164 Ca 0.00 -1.46 -0.28 0.00 0.31 0.00 0.00 61.69 60.26 2kwb s THR 164 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2kwb s THR 164 CO 0.00 -0.39 1.56 -1.61 -0.69 0.00 0.00 174.62 173.49 2kwb s GLU 165 N 1.33 3.26 -0.04 4.92 2.02 -1.26 -0.32 118.70 128.61 2kwb s GLU 165 Ca 0.01 0.78 -0.01 0.00 0.02 0.00 0.00 54.97 55.77 2kwb s GLU 165 Cb -0.21 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.82 2kwb s GLU 165 CO 0.00 -1.96 0.05 0.14 0.02 0.00 0.00 175.26 173.51 2kwb s VAL 166 N 6.55 4.60 -0.14 2.63 -7.23 -0.08 -4.79 120.40 121.94 2kwb s VAL 166 Ca 0.62 -0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.17 2kwb s VAL 166 Cb -0.14 -3.04 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 2kwb s VAL 166 CO 0.28 0.45 1.03 -2.16 -0.31 0.00 0.00 175.10 174.39 2kwb s PRO 167 N -1.40 4.36 -0.19 4.82 0.04 -1.26 -0.40 135.00 140.97 2kwb s PRO 167 Ca 0.19 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 2kwb s PRO 167 Cb -0.12 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2kwb s PRO 167 CO 0.09 -0.43 -0.00 0.95 0.04 0.00 0.00 177.00 177.65 2kwb s THR 168 N 2.43 4.00 -0.34 1.26 -4.23 0.24 -1.37 115.64 117.63 2kwb s THR 168 Ca 0.47 -0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.39 2kwb s THR 168 Cb -0.18 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.88 2kwb s THR 168 CO 0.14 0.44 1.18 -0.22 -0.54 0.00 0.00 174.62 175.62 2kwb s LEU 169 N 0.88 3.85 -0.24 4.79 2.96 0.43 -2.03 118.68 129.33 2kwb s LEU 169 Ca 0.01 1.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.84 2kwb s LEU 169 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2kwb s LEU 169 CO 0.02 -1.03 0.13 -0.32 -1.32 0.00 0.00 176.35 173.83 2kwb s MET 170 N 4.02 3.96 -0.02 1.98 -2.45 0.36 -1.65 119.30 125.49 2kwb s MET 170 Ca 0.50 -0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.62 2kwb s MET 170 Cb -0.13 -3.46 0.03 0.00 1.25 0.00 0.00 34.83 32.52 2kwb s MET 170 CO 0.21 0.02 0.01 -0.51 1.05 0.00 0.00 175.02 175.80 2kwb s LEU 171 N 1.14 1.22 -0.09 4.11 1.43 -0.68 -2.57 118.68 123.23 2kwb s LEU 171 Ca 0.06 -0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 2kwb s LEU 171 Cb -0.14 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2kwb s LEU 171 CO 0.05 -0.10 0.90 -0.69 0.23 0.00 0.00 176.35 176.74 2kwb s VAL 172 N 0.94 4.88 0.23 -1.59 1.01 -1.26 -0.06 120.40 124.54 2kwb s VAL 172 Ca -0.09 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.74 2kwb s VAL 172 Cb -0.13 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2kwb s VAL 172 CO -0.02 0.09 1.56 0.50 0.00 0.00 0.00 175.10 177.24 2kwb h LYS 173 N 7.03 0.35 0.00 2.72 3.64 -1.57 -1.23 116.57 127.51 2kwb h LYS 173 Ca -0.35 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2kwb h LYS 173 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2kwb h LYS 173 CO 0.81 0.81 0.00 -0.85 -2.27 0.00 0.00 179.45 177.95 2kwb n GLU 174 N -3.93 0.35 -0.13 1.90 0.00 -1.26 -3.18 120.64 114.40 2kwb n GLU 174 Ca -0.02 0.08 -0.28 0.00 0.00 0.00 0.00 57.16 56.94 2kwb n GLU 174 Cb 0.59 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.44 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kwb n ALA 175 N -1.22 1.31 -2.65 -1.84 0.00 -0.85 -4.81 120.51 110.46 2kwb n ALA 175 Ca 0.11 -1.04 -0.39 0.00 0.00 0.00 0.00 53.44 52.11 2kwb n ALA 175 Cb 0.14 0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.48 5.10 -0.16 0.00 -4.36 -0.52 -3.33 121.20 115.45 2kwb s ILE 176 Ca -0.37 -0.11 -0.16 0.00 -0.26 0.00 0.00 60.65 59.75 2kwb s ILE 176 Cb 0.14 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 2kwb s ILE 176 CO 0.47 0.12 0.41 -0.51 0.24 0.00 0.00 174.94 175.68 2kwb s ILE 177 N 1.71 5.21 -0.13 8.37 1.10 -0.72 -4.56 121.20 132.18 2kwb s ILE 177 Ca 0.06 0.79 -0.02 0.00 -0.51 0.00 0.00 60.65 60.97 2kwb s ILE 177 Cb -0.17 -3.75 -0.02 0.00 0.15 0.00 0.00 42.46 38.67 2kwb s ILE 177 CO 0.09 0.30 -0.06 -1.83 -2.11 0.00 0.00 174.94 171.33 2kwb s GLU 178 N 0.89 3.44 -0.54 3.50 4.04 -1.26 -1.53 118.70 127.24 2kwb s GLU 178 Ca 0.22 -0.56 -0.19 0.00 0.04 0.00 0.00 54.97 54.48 2kwb s GLU 178 Cb -0.14 -2.79 0.08 0.00 0.02 0.00 0.00 34.13 31.29 2kwb s GLU 178 CO 0.08 0.31 0.64 -2.00 -1.84 0.00 0.00 175.26 172.46 2kwb s GLU 179 N 0.14 3.09 -0.69 -4.83 2.56 0.98 -4.97 118.70 114.97 2kwb s GLU 179 Ca -0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 54.97 53.69 2kwb s GLU 179 Cb -0.14 -4.16 0.12 0.00 2.00 0.00 0.00 34.13 31.95 2kwb s GLU 179 CO 0.03 -1.33 0.81 -1.59 -0.56 0.00 0.00 175.26 172.63 2kwb s LYS 180 N 2.60 3.23 -0.59 4.30 -2.85 -1.26 -2.18 119.74 123.00 2kwb s LYS 180 Ca 0.13 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 2kwb s LYS 180 Cb -0.21 -4.41 0.15 0.00 -2.06 0.00 0.00 37.83 31.30 2kwb s LYS 180 CO 0.10 -1.57 0.37 0.00 0.10 0.00 0.00 175.35 174.34 2kwb n LEU 182 N 3.26 0.00 -0.70 0.00 4.77 -1.26 -0.11 117.00 122.96 2kwb n LEU 182 Ca 0.07 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 2kwb n LEU 182 Cb 0.35 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.77 2kwb n LEU 182 CO 0.34 0.00 0.76 1.21 -1.33 0.00 0.00 177.39 178.37