#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwb s LEU 2 N 0.00 3.24 -0.27 4.03 2.96 -0.14 -4.76 118.68 123.74 2kwb s LEU 2 Ca 0.00 -0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2kwb s LEU 2 Cb 0.00 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 2kwb s LEU 2 CO 0.00 0.27 0.18 -0.51 -1.32 0.00 0.00 176.35 174.97 2kwb s ILE 3 N -0.24 5.24 0.02 6.68 2.07 -0.95 -0.50 121.20 133.52 2kwb s ILE 3 Ca 0.04 0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.50 2kwb s ILE 3 Cb -0.13 -3.48 -0.03 0.00 0.13 0.00 0.00 42.46 38.95 2kwb s ILE 3 CO 0.02 0.27 -0.24 -0.72 -1.91 0.00 0.00 174.94 172.37 2kwb s TYR 4 N 1.66 2.40 -0.04 3.50 -0.85 -0.20 -0.08 117.35 123.73 2kwb s TYR 4 Ca 0.07 -0.37 -0.02 0.00 -0.52 0.00 0.00 57.07 56.23 2kwb s TYR 4 Cb -0.16 -1.45 0.03 0.00 0.38 0.00 0.00 41.96 40.76 2kwb s TYR 4 CO 0.10 0.11 0.06 -1.59 -1.52 0.00 0.00 175.55 172.71 2kwb s LYS 5 N -1.07 -0.06 0.85 -3.49 -2.85 -0.09 -2.53 119.74 110.49 2kwb s LYS 5 Ca 0.12 0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 55.33 2kwb s LYS 5 Cb -0.10 -0.44 0.10 0.00 -2.06 0.00 0.00 37.83 35.33 2kwb s LYS 5 CO 0.02 -0.30 1.09 -0.51 0.10 0.00 0.00 175.35 175.75 2kwb s ASP 6 N 1.97 3.89 0.45 0.03 1.11 -1.26 -0.36 116.67 122.50 2kwb s ASP 6 Ca 0.02 1.46 0.16 0.00 0.18 0.00 0.00 52.55 54.37 2kwb s ASP 6 Cb -0.12 -2.16 1.10 0.00 1.07 0.00 0.00 42.92 42.81 2kwb s ASP 6 CO -0.03 -2.37 1.98 0.40 1.18 0.00 0.00 175.17 176.32 2kwb h ILE 7 N -1.36 0.85 0.00 0.77 2.04 -1.30 -3.03 117.51 115.48 2kwb h ILE 7 Ca -0.48 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 2kwb h ILE 7 Cb 1.27 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2kwb h ILE 7 CO 0.56 0.06 -1.62 2.22 0.00 0.00 0.00 178.15 179.37 2kwb n PHE 8 N -4.46 0.00 0.36 1.37 -1.74 -1.26 -4.66 117.46 107.07 2kwb n PHE 8 Ca 0.10 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 57.04 2kwb n PHE 8 Cb 0.43 -0.38 0.20 0.00 1.52 0.00 0.00 39.48 41.25 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2kwb n THR 9 N -2.12 1.00 0.13 1.97 -1.04 -1.16 -3.99 114.28 109.08 2kwb n THR 9 Ca -0.09 -0.64 0.03 0.00 -2.04 0.00 0.00 64.05 61.31 2kwb n THR 9 Cb 0.54 -0.06 0.15 0.00 -1.82 0.00 0.00 70.33 69.15 2kwb n THR 9 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kwb n ASP 10 N 0.50 0.09 0.01 8.00 5.75 -1.16 -1.18 116.55 128.57 2kwb n ASP 10 Ca 0.14 0.54 -0.22 0.00 -0.01 0.00 0.00 54.79 55.24 2kwb n ASP 10 Cb 0.55 -0.55 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 2kwb n ASP 10 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kwb h ASP 11 N 0.00 0.38 -0.57 -1.12 3.32 -1.86 -3.37 116.42 113.21 2kwb h ASP 11 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.08 2kwb h ASP 11 Cb 0.06 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 2kwb h ASP 11 CO 0.00 1.64 0.15 -0.62 -1.72 0.00 0.00 179.24 178.70 2kwb n GLU 12 N -3.89 3.56 -0.61 3.56 -0.58 -0.44 -4.99 120.64 117.25 2kwb n GLU 12 Ca -0.26 -2.53 -0.30 0.00 -0.42 0.00 0.00 57.16 53.65 2kwb n GLU 12 Cb 0.91 -2.08 0.20 0.00 -0.57 0.00 0.00 31.44 29.90 2kwb n GLU 12 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2kwb n LEU 13 N 0.12 0.12 -4.01 -4.62 -0.00 -0.32 -5.02 117.00 103.27 2kwb n LEU 13 Ca 0.30 0.09 -0.08 0.00 -0.00 0.00 0.00 56.01 56.32 2kwb n LEU 13 Cb 1.15 -1.28 -0.10 0.00 -0.00 0.00 0.00 43.42 43.19 2kwb n LEU 13 CO 0.33 -2.95 -0.31 -0.44 -0.00 0.00 0.00 177.39 174.02 2kwb s SER 14 N -2.35 0.34 -0.23 1.45 0.01 -1.05 -5.02 113.70 106.85 2kwb s SER 14 Ca 0.65 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2kwb s SER 14 Cb -0.22 0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.26 2kwb s SER 14 CO 0.63 -0.53 -0.04 -0.94 0.41 0.00 0.00 173.24 172.77 2kwb s SER 15 N -2.45 3.66 0.32 2.44 1.04 -1.26 -1.03 113.70 116.42 2kwb s SER 15 Ca -0.00 -1.10 -0.18 0.00 0.48 0.00 0.00 55.95 55.14 2kwb s SER 15 Cb 0.02 -1.07 0.05 0.00 0.10 0.00 0.00 66.02 65.12 2kwb s SER 15 CO -0.07 -0.24 0.82 -0.62 0.98 0.00 0.00 173.24 174.11 2kwb s ASP 16 N 1.48 -0.06 -0.65 7.02 -1.08 0.35 -4.68 116.67 119.05 2kwb s ASP 16 Ca -0.05 -0.91 0.05 0.00 -0.52 0.00 0.00 52.55 51.12 2kwb s ASP 16 Cb -0.18 0.75 0.17 0.00 -1.46 0.00 0.00 42.92 42.20 2kwb s ASP 16 CO -0.07 -1.46 0.47 -1.20 0.52 0.00 0.00 175.17 173.43 2kwb n SER 17 N -1.12 2.37 -4.67 -0.34 7.64 -1.26 -0.96 113.62 115.28 2kwb n SER 17 Ca -0.07 -3.06 -0.37 0.00 1.01 0.00 0.00 58.87 56.39 2kwb n SER 17 Cb 0.60 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.20 3.34 -0.10 1.43 0.08 -1.26 -4.97 117.98 115.30 2kwb s PHE 18 Ca 0.27 0.35 -0.29 0.00 0.12 0.00 0.00 56.93 57.38 2kwb s PHE 18 Cb -0.02 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.05 2kwb s PHE 18 CO -0.17 0.07 1.75 -1.25 -0.10 0.00 0.00 175.22 175.51 2kwb s PRO 19 N 1.04 3.97 0.29 0.24 0.04 -1.26 -5.00 135.00 134.32 2kwb s PRO 19 Ca 0.11 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.32 2kwb s PRO 19 Cb -0.14 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2kwb s PRO 19 CO 0.05 -1.11 0.13 -1.64 0.04 0.00 0.00 177.00 174.47 2kwb s MET 20 N 4.50 2.54 -0.29 4.56 -1.94 -1.26 -4.84 119.30 122.56 2kwb s MET 20 Ca 0.78 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 2kwb s MET 20 Cb -0.32 -2.31 0.09 0.00 2.01 0.00 0.00 34.83 34.29 2kwb s MET 20 CO 0.32 0.26 0.04 0.15 -0.01 0.00 0.00 175.02 175.78 2kwb s LYS 21 N -3.81 1.13 -0.64 2.03 1.02 -1.20 -4.99 119.74 113.28 2kwb s LYS 21 Ca 0.35 -1.22 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 2kwb s LYS 21 Cb -0.06 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2kwb s LYS 21 CO 0.23 -0.86 1.51 -1.17 -0.92 0.00 0.00 175.35 174.14 2kwb s LEU 22 N 1.39 3.28 -0.03 3.17 2.96 -1.26 -0.25 118.68 127.94 2kwb s LEU 22 Ca 0.06 0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.83 2kwb s LEU 22 Cb -0.18 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 2kwb s LEU 22 CO -0.15 -1.96 0.58 0.54 -1.32 0.00 0.00 176.35 174.04 2kwb s VAL 23 N 6.87 4.98 -1.69 1.68 0.11 0.48 -4.02 120.40 128.80 2kwb s VAL 23 Ca 0.51 1.20 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 2kwb s VAL 23 Cb -0.11 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 2kwb s VAL 23 CO 0.20 0.39 0.00 -0.67 -3.33 0.00 0.00 175.10 171.70 2kwb n ASP 24 N 2.95 -4.59 0.00 3.54 2.03 -1.26 -1.66 116.55 117.55 2kwb n ASP 24 Ca -0.07 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2kwb n ASP 24 Cb 0.51 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kwb n ASP 25 N -0.92 -5.72 -0.09 1.67 8.00 -1.26 -4.78 116.55 113.45 2kwb n ASP 25 Ca -0.16 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.16 2kwb n ASP 25 Cb 0.56 -3.39 -0.07 0.00 -0.02 0.00 0.00 41.12 38.20 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 0.00 1.83 -4.09 0.64 7.94 -0.67 -4.86 117.00 117.79 2kwb n LEU 26 Ca 0.00 0.14 -0.14 0.00 -1.11 0.00 0.00 56.01 54.90 2kwb n LEU 26 Cb 0.48 -0.58 -0.11 0.00 0.53 0.00 0.00 43.42 43.73 2kwb n LEU 26 CO 0.00 0.52 -0.42 0.68 -1.11 0.00 0.00 177.39 177.06 2kwb s VAL 27 N -2.35 0.68 -0.21 1.96 -7.23 -1.08 -0.86 120.40 111.32 2kwb s VAL 27 Ca -0.26 -1.15 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 2kwb s VAL 27 Cb 0.09 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 2kwb s VAL 27 CO 0.36 -0.35 0.77 -0.31 -0.31 0.00 0.00 175.10 175.26 2kwb s TYR 28 N -1.40 3.36 -0.32 2.82 2.02 0.10 -0.39 117.35 123.55 2kwb s TYR 28 Ca -0.08 1.11 -0.02 0.00 -0.37 0.00 0.00 57.07 57.71 2kwb s TYR 28 Cb -0.10 -2.97 0.06 0.00 -0.40 0.00 0.00 41.96 38.55 2kwb s TYR 28 CO 0.01 -0.28 0.04 -2.00 -1.57 0.00 0.00 175.55 171.74 2kwb s GLU 29 N 2.35 2.38 -0.09 -0.62 2.12 0.65 -1.83 118.70 123.66 2kwb s GLU 29 Ca 0.34 -1.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.30 2kwb s GLU 29 Cb -0.16 -3.26 0.05 0.00 0.26 0.00 0.00 34.13 31.02 2kwb s GLU 29 CO 0.10 -0.69 0.17 -0.59 -0.54 0.00 0.00 175.26 173.71 2kwb s PHE 30 N 1.25 -0.19 -0.24 5.30 -0.71 -0.59 -3.23 117.98 119.56 2kwb s PHE 30 Ca -0.03 0.62 -0.19 0.00 -1.04 0.00 0.00 56.93 56.29 2kwb s PHE 30 Cb -0.20 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 2kwb s PHE 30 CO -0.01 -0.27 0.58 0.21 -1.34 0.00 0.00 175.22 174.39 2kwb s LYS 31 N 2.19 4.13 0.00 1.99 2.36 -1.26 -0.24 119.74 128.90 2kwb s LYS 31 Ca 0.02 0.47 0.00 0.00 -2.55 0.00 0.00 55.97 53.91 2kwb s LYS 31 Cb -0.12 -3.62 0.00 0.00 -1.05 0.00 0.00 37.83 33.04 2kwb s LYS 31 CO -0.06 -0.32 0.00 0.41 1.55 0.00 0.00 175.35 176.93 2kwb n GLY 32 N 4.12 0.75 3.42 5.54 0.00 -1.26 -5.00 105.19 112.77 2kwb n GLY 32 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2kwb n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwb s LYS 33 N 0.88 2.95 -0.52 1.61 1.02 -1.26 -4.96 119.74 119.46 2kwb s LYS 33 Ca 0.00 -0.69 -0.24 0.00 0.02 0.00 0.00 55.97 55.06 2kwb s LYS 33 Cb 0.00 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2kwb s LYS 33 CO 0.00 0.42 0.90 -3.38 -0.92 0.00 0.00 175.35 172.37 2kwb s HIS 34 N -0.19 2.85 0.02 3.18 -3.43 -1.26 -0.59 115.29 115.87 2kwb s HIS 34 Ca 0.00 0.04 0.01 0.00 -0.80 0.00 0.00 55.06 54.32 2kwb s HIS 34 Cb -0.13 -3.97 -0.01 0.00 -1.43 0.00 0.00 32.58 27.03 2kwb s HIS 34 CO 0.03 -1.25 -0.04 0.14 -2.00 0.00 0.00 174.74 171.62 2kwb s VAL 35 N 3.76 0.29 -0.04 -5.38 -7.23 -0.18 -4.72 120.40 106.89 2kwb s VAL 35 Ca 0.31 -0.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 2kwb s VAL 35 Cb -0.12 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.48 2kwb s VAL 35 CO 0.20 -0.20 -0.15 0.68 -0.31 0.00 0.00 175.10 175.32 2kwb s VAL 36 N -0.79 1.27 -0.36 1.32 -7.23 -1.26 -1.63 120.40 111.72 2kwb s VAL 36 Ca -0.06 -0.61 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 2kwb s VAL 36 Cb -0.06 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.81 2kwb s VAL 36 CO -0.00 0.37 0.18 -0.13 -0.31 0.00 0.00 175.10 175.21 2kwb s ARG 37 N 0.18 2.81 0.15 4.82 1.81 -0.00 -2.27 118.95 126.45 2kwb s ARG 37 Ca -0.06 -1.08 0.05 0.00 -1.72 0.00 0.00 55.73 52.92 2kwb s ARG 37 Cb -0.12 -3.65 -0.04 0.00 -0.45 0.00 0.00 34.95 30.69 2kwb s ARG 37 CO 0.02 -0.67 0.13 0.15 -0.68 0.00 0.00 175.30 174.25 2kwb s LYS 38 N 1.52 2.91 -0.96 3.54 1.02 -0.99 -2.19 119.74 124.59 2kwb s LYS 38 Ca 0.01 -0.83 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 2kwb s LYS 38 Cb -0.19 -2.67 -0.18 0.00 -0.52 0.00 0.00 37.83 34.27 2kwb s LYS 38 CO 0.06 0.50 2.23 -1.21 -0.92 0.00 0.00 175.35 176.01 2kwb s GLU 39 N -2.98 1.41 0.00 1.68 0.41 -1.26 -2.01 118.70 115.95 2kwb s GLU 39 Ca 0.31 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 2kwb s GLU 39 Cb -0.10 -4.91 0.00 0.00 -1.78 0.00 0.00 34.13 27.34 2kwb s GLU 39 CO 0.23 -4.99 0.00 0.41 -0.49 0.00 0.00 175.26 170.43 2kwb n GLY 40 N 6.45 3.63 3.55 -1.39 0.00 -1.26 -5.13 105.19 111.04 2kwb n GLY 40 Ca 0.44 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.55 -0.32 1.61 2.12 -0.85 -5.14 118.70 116.67 2kwb s GLU 41 Ca 0.00 -0.17 -0.20 0.00 0.36 0.00 0.00 54.97 54.96 2kwb s GLU 41 Cb 0.00 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 2kwb s GLU 41 CO 0.00 -0.23 0.63 -1.50 -0.54 0.00 0.00 175.26 173.61 2kwb s ILE 42 N -2.58 4.93 -0.92 -3.70 2.07 -1.26 -2.35 121.20 117.38 2kwb s ILE 42 Ca 0.06 0.78 -0.01 0.00 -1.41 0.00 0.00 60.65 60.07 2kwb s ILE 42 Cb -0.01 -4.02 0.26 0.00 0.13 0.00 0.00 42.46 38.82 2kwb s ILE 42 CO -0.06 -0.19 1.03 0.52 -1.91 0.00 0.00 174.94 174.33 2kwb n VAL 43 N 5.45 3.75 0.61 4.00 0.31 -0.96 -4.89 118.33 126.61 2kwb n VAL 43 Ca -0.01 -5.43 0.02 0.00 -0.01 0.00 0.00 64.34 58.92 2kwb n VAL 43 Cb 0.49 -2.24 0.12 0.00 -0.91 0.00 0.00 33.84 31.29 2kwb n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kwb n LEU 44 N 1.70 2.16 -4.61 7.52 -0.00 -1.26 -4.36 117.00 118.14 2kwb n LEU 44 Ca 0.25 -1.09 -0.34 0.00 -0.00 0.00 0.00 56.01 54.83 2kwb n LEU 44 Cb 0.37 -0.47 -0.10 0.00 -0.00 0.00 0.00 43.42 43.21 2kwb n LEU 44 CO 0.50 0.35 -0.33 0.00 -0.00 0.00 0.00 177.39 177.91 2kwb s ALA 45 N -1.56 3.17 0.00 1.47 0.00 -1.26 -4.82 121.76 118.75 2kwb s ALA 45 Ca 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2kwb s ALA 45 Cb 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2kwb s ALA 45 CO 0.06 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2kwb n GLY 46 N 2.63 4.26 3.68 0.00 0.00 -1.26 -5.14 105.19 109.36 2kwb n GLY 46 Ca -0.18 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 1.00 -0.16 -0.50 1.61 0.15 -1.26 -5.13 113.70 109.41 2kwb s SER 47 Ca 0.00 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.42 2kwb s SER 47 Cb 0.00 0.37 0.13 0.00 -1.71 0.00 0.00 66.02 64.81 2kwb s SER 47 CO 0.00 -0.67 0.25 0.20 1.20 0.00 0.00 173.24 174.22 2kwb s ASN 48 N -2.86 4.51 0.07 5.45 0.01 -1.26 -4.97 114.94 115.90 2kwb s ASN 48 Ca 0.12 -2.85 -0.05 0.00 -0.71 0.00 0.00 52.86 49.37 2kwb s ASN 48 Cb 0.00 -1.67 -0.05 0.00 0.41 0.00 0.00 41.25 39.94 2kwb s ASN 48 CO -0.01 -0.28 0.30 -2.16 -1.51 0.00 0.00 177.10 173.45 2kwb s PRO 49 N -0.06 3.58 -0.82 -0.60 0.04 -1.26 -5.05 135.00 130.83 2kwb s PRO 49 Ca 0.16 -0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.82 2kwb s PRO 49 Cb -0.24 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.33 2kwb s PRO 49 CO -0.02 0.57 1.51 -1.54 0.04 0.00 0.00 177.00 177.56 2kwb s SER 50 N -2.10 6.00 -0.16 6.66 1.04 -1.26 -4.78 113.70 119.10 2kwb s SER 50 Ca 0.34 -0.65 0.20 0.00 0.48 0.00 0.00 55.95 56.32 2kwb s SER 50 Cb -0.13 -2.56 0.46 0.00 0.10 0.00 0.00 66.02 63.89 2kwb s SER 50 CO 0.21 -1.94 1.16 0.00 0.98 0.00 0.00 173.24 173.66 2kwb n ALA 51 N 10.33 3.00 -2.24 5.32 0.00 -1.26 -5.00 120.51 130.65 2kwb n ALA 51 Ca 0.19 -2.83 -0.39 0.00 0.00 0.00 0.00 53.44 50.42 2kwb n ALA 51 Cb 0.50 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 2kwb n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kwb n GLU 52 N -0.28 2.58 0.01 0.00 2.13 -1.26 -3.80 120.64 120.02 2kwb n GLU 52 Ca 0.13 -2.87 0.00 0.00 0.66 0.00 0.00 57.16 55.08 2kwb n GLU 52 Cb 0.94 -3.51 0.00 0.00 0.27 0.00 0.00 31.44 29.14 2kwb n GLU 52 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2kwb n GLU 53 N 8.02 0.00 -3.33 5.31 2.13 -1.26 -5.10 120.64 126.41 2kwb n GLU 53 Ca 0.48 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.18 2kwb n GLU 53 Cb 0.45 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.10 2kwb n GLU 53 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kwb s GLY 54 N -1.53 -0.32 0.00 8.31 0.00 -1.25 -4.96 107.32 107.57 2kwb s GLY 54 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.20 2kwb s GLY 54 CO 0.00 2.93 0.88 0.00 0.00 0.00 0.00 173.10 176.91 2kwb n ALA 55 N 4.54 3.20 -0.00 3.20 0.00 -1.26 -4.96 120.51 125.22 2kwb n ALA 55 Ca 0.08 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.94 2kwb n ALA 55 Cb 0.48 -0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.55 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 0.02 0.65 0.00 0.00 0.00 -1.26 -4.94 120.64 115.11 2kwb n GLU 56 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.03 2kwb n GLU 56 Cb 0.67 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 30.44 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2kwb n ASP 57 N -2.69 0.00 -0.71 -1.84 5.75 -1.26 -4.69 116.55 111.12 2kwb n ASP 57 Ca -0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.56 2kwb n ASP 57 Cb 0.83 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.88 2kwb n ASP 57 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kwb n ASP 58 N 0.00 -4.77 -4.03 -1.12 8.00 -1.26 -4.91 116.55 108.46 2kwb n ASP 58 Ca 0.00 0.23 -0.39 0.00 0.71 0.00 0.00 54.79 55.34 2kwb n ASP 58 Cb 0.00 -3.08 -0.04 0.00 -0.02 0.00 0.00 41.12 37.98 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 59 N -0.97 2.54 0.82 0.44 0.00 -1.26 -4.51 105.19 102.24 2kwb n GLY 59 Ca -0.09 -1.22 0.09 0.00 0.00 0.00 0.00 46.02 44.80 2kwb n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kwb n SER 60 N 9.09 2.88 0.17 1.61 7.64 -1.26 -4.70 113.62 129.05 2kwb n SER 60 Ca 0.49 -1.84 -0.07 0.00 1.01 0.00 0.00 58.87 58.46 2kwb n SER 60 Cb 0.43 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 2kwb n SER 60 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2kwb h ASP 61 N 3.26 -0.37 0.00 6.43 3.04 -2.00 -3.44 116.42 123.33 2kwb h ASP 61 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2kwb h ASP 61 Cb 0.78 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.17 2kwb h ASP 61 CO 0.00 -0.25 0.00 -0.62 -2.04 0.00 0.00 179.24 176.33 2kwb n GLU 62 N -3.25 0.00 -1.22 4.15 -0.58 -1.26 -4.16 120.64 114.32 2kwb n GLU 62 Ca -0.05 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.43 2kwb n GLU 62 Cb 0.17 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.95 2kwb n GLU 62 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kwb n HIS 63 N 0.00 1.25 -3.69 -0.32 1.44 -1.26 -4.75 115.22 107.88 2kwb n HIS 63 Ca 0.00 -2.26 -0.19 0.00 -2.01 0.00 0.00 57.72 53.27 2kwb n HIS 63 Cb 0.00 -1.96 -0.17 0.00 0.12 0.00 0.00 29.99 27.98 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kwb s VAL 64 N 1.10 -0.11 -1.23 0.61 1.01 -1.26 -4.90 120.40 115.62 2kwb s VAL 64 Ca 0.67 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 2kwb s VAL 64 Cb 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.45 2kwb s VAL 64 CO -0.05 0.16 2.27 -0.62 0.00 0.00 0.00 175.10 176.86 2kwb n GLU 65 N 5.04 2.54 -3.24 2.72 4.71 -0.93 -4.90 120.64 126.58 2kwb n GLU 65 Ca -0.09 -2.17 -0.41 0.00 -0.01 0.00 0.00 57.16 54.48 2kwb n GLU 65 Cb 0.50 -2.99 -0.08 0.00 -1.01 0.00 0.00 31.44 27.86 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 3.53 3.80 0.00 3.49 1.70 -1.26 -0.82 118.95 129.38 2kwb s ARG 66 Ca 0.53 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.81 2kwb s ARG 66 Cb 0.14 -3.75 0.00 0.00 -0.57 0.00 0.00 34.95 30.78 2kwb s ARG 66 CO -0.02 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 2kwb n GLY 67 N 4.65 -0.95 3.59 3.88 0.00 -0.64 -5.00 105.19 110.72 2kwb n GLY 67 Ca -0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 3.64 0.30 -0.61 -4.36 -1.26 -1.01 121.20 113.91 2kwb s ILE 68 Ca 0.00 -0.74 0.05 0.00 -0.26 0.00 0.00 60.65 59.70 2kwb s ILE 68 Cb 0.00 -2.57 0.32 0.00 1.25 0.00 0.00 42.46 41.46 2kwb s ILE 68 CO 0.00 0.42 1.65 -0.78 0.24 0.00 0.00 174.94 176.47 2kwb h ASP 69 N 4.63 0.11 -0.04 4.36 3.58 -1.16 -1.74 116.42 126.17 2kwb h ASP 69 Ca -0.48 0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.19 2kwb h ASP 69 Cb 1.17 0.24 -0.05 0.00 1.72 0.00 0.00 39.33 42.41 2kwb h ASP 69 CO 0.53 -0.16 -0.49 0.40 -2.88 0.00 0.00 179.24 176.64 2kwb h ILE 70 N 0.23 0.00 -0.04 2.25 2.04 -1.96 0.30 117.51 120.34 2kwb h ILE 70 Ca 0.60 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.29 2kwb h ILE 70 Cb 1.25 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2kwb h ILE 70 CO -0.65 0.00 -0.74 -0.37 0.00 0.00 0.00 178.15 176.39 2kwb h VAL 71 N -0.59 1.43 0.00 1.67 -1.51 -1.86 -2.72 116.25 112.66 2kwb h VAL 71 Ca 0.02 -2.27 -0.12 0.00 -1.23 0.00 0.00 66.70 63.09 2kwb h VAL 71 Cb 0.65 2.21 -0.02 0.00 -2.13 0.00 0.00 31.29 32.00 2kwb h VAL 71 CO -0.35 0.67 -0.59 -0.07 -1.23 0.00 0.00 177.57 176.00 2kwb h LEU 72 N 0.16 0.00 0.20 4.19 3.38 -1.07 -0.79 115.31 121.38 2kwb h LEU 72 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 2kwb h LEU 72 Cb 1.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.07 2kwb h LEU 72 CO 0.12 0.59 -1.57 -1.13 0.09 0.00 0.00 178.44 176.54 2kwb h ASN 73 N 0.00 0.66 0.65 -0.43 -1.24 -0.41 -3.34 115.58 111.47 2kwb h ASN 73 Ca -0.01 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.08 2kwb h ASN 73 Cb 1.17 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.00 2kwb h ASN 73 CO 0.08 1.72 -0.33 1.57 -1.29 0.00 0.00 177.43 179.18 2kwb n HIS 74 N -3.71 0.00 -2.47 0.67 -0.00 -1.03 -4.99 115.22 103.69 2kwb n HIS 74 Ca -0.22 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 57.96 2kwb n HIS 74 Cb 1.05 -0.32 0.00 0.00 -0.12 0.00 0.00 29.99 30.60 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kwb n LYS 75 N -1.47 -0.91 -4.31 1.57 5.02 -0.41 -4.97 118.16 112.69 2kwb n LYS 75 Ca 0.06 1.17 -0.35 0.00 -2.02 0.00 0.00 58.31 57.18 2kwb n LYS 75 Cb 0.34 -4.18 -0.10 0.00 -0.02 0.00 0.00 35.03 31.06 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwb s LEU 76 N -3.12 3.56 0.13 -0.35 1.43 -0.60 -4.24 118.68 115.49 2kwb s LEU 76 Ca 0.02 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 52.97 2kwb s LEU 76 Cb -0.00 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 2kwb s LEU 76 CO 0.47 0.30 0.69 0.54 0.23 0.00 0.00 176.35 178.58 2kwb s VAL 77 N -0.39 4.52 0.45 -1.59 0.11 -0.44 -4.83 120.40 118.23 2kwb s VAL 77 Ca 0.08 1.51 -0.25 0.00 -2.93 0.00 0.00 61.98 60.38 2kwb s VAL 77 Cb -0.12 -4.04 -0.08 0.00 -1.53 0.00 0.00 36.38 30.61 2kwb s VAL 77 CO 0.02 0.53 1.35 -1.83 -3.33 0.00 0.00 175.10 171.84 2kwb s GLU 78 N -1.15 3.72 0.07 1.54 -1.05 -1.26 -2.21 118.70 118.36 2kwb s GLU 78 Ca 0.33 2.25 0.03 0.00 -0.15 0.00 0.00 54.97 57.42 2kwb s GLU 78 Cb -0.22 -2.62 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 2kwb s GLU 78 CO 0.23 -0.73 -0.08 -1.64 0.95 0.00 0.00 175.26 173.99 2kwb s MET 79 N -2.45 0.70 0.06 -4.83 -1.94 0.15 -4.89 119.30 106.08 2kwb s MET 79 Ca 0.61 -1.00 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 2kwb s MET 79 Cb -0.40 -0.36 0.01 0.00 2.01 0.00 0.00 34.83 36.09 2kwb s MET 79 CO 0.51 0.05 0.24 1.21 -0.01 0.00 0.00 175.02 177.01 2kwb s ASN 80 N -2.15 -0.00 0.25 3.03 3.84 -1.26 -2.41 114.94 116.24 2kwb s ASN 80 Ca -0.01 -0.39 -0.04 0.00 0.21 0.00 0.00 52.86 52.63 2kwb s ASN 80 Cb -0.05 0.33 0.48 0.00 -0.55 0.00 0.00 41.25 41.47 2kwb s ASN 80 CO -0.01 -0.63 1.35 0.00 -2.79 0.00 0.00 177.10 175.02 2kwb h TYR 82 N 0.00 0.85 0.17 0.00 -0.00 -2.00 -0.12 116.97 115.87 2kwb h TYR 82 Ca 0.45 0.02 -0.31 0.00 -0.00 0.00 0.00 58.73 58.89 2kwb h TYR 82 Cb 0.77 -0.29 0.01 0.00 -0.00 0.00 0.00 36.73 37.23 2kwb h TYR 82 CO -0.60 0.53 -1.46 0.93 -0.00 0.00 0.00 178.16 177.56 2kwb h GLU 83 N 0.91 0.37 0.00 0.10 4.39 -0.89 -3.33 114.58 116.13 2kwb h GLU 83 Ca 0.26 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 2kwb h GLU 83 Cb -0.07 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2kwb h GLU 83 CO -0.06 1.28 -0.09 -0.44 -1.16 0.00 0.00 179.01 178.54 2kwb h ASP 84 N 0.10 0.00 -0.39 1.42 5.19 -0.64 -3.29 116.42 118.81 2kwb h ASP 84 Ca -0.23 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.22 2kwb h ASP 84 Cb 2.07 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.52 2kwb h ASP 84 CO 0.21 0.09 -0.30 0.00 -3.12 0.00 0.00 179.24 176.12 2kwb h ALA 85 N 1.91 -0.39 -0.23 3.45 0.00 -1.14 0.41 119.26 123.27 2kwb h ALA 85 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kwb h ALA 85 Cb 0.41 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2kwb h ALA 85 CO 0.01 -0.57 -0.10 1.03 0.00 0.00 0.00 179.25 179.62 2kwb h SER 86 N -0.08 0.35 0.38 0.00 0.87 -1.83 -2.76 113.55 110.48 2kwb h SER 86 Ca 0.06 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2kwb h SER 86 Cb 0.25 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2kwb h SER 86 CO -0.41 0.49 -0.18 0.24 -0.53 0.00 0.00 176.83 176.43 2kwb h MET 87 N 0.35 -0.50 0.00 2.24 2.07 -1.06 -2.67 114.93 115.36 2kwb h MET 87 Ca 0.07 0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.72 2kwb h MET 87 Cb 0.40 0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.24 2kwb h MET 87 CO 0.02 -0.33 -0.07 0.27 1.07 0.00 0.00 176.91 177.87 2kwb h PHE 88 N -0.62 0.00 0.43 -0.22 -5.15 -0.37 -0.02 116.94 110.99 2kwb h PHE 88 Ca -0.05 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.70 2kwb h PHE 88 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.55 2kwb h PHE 88 CO 0.10 0.07 -0.43 -0.22 -2.00 0.00 0.00 178.31 175.83 2kwb h LYS 89 N 0.00 -0.83 -0.22 6.09 3.64 -1.48 0.10 116.57 123.86 2kwb h LYS 89 Ca -0.00 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2kwb h LYS 89 Cb 0.14 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2kwb h LYS 89 CO 0.01 -0.55 0.08 0.00 -2.27 0.00 0.00 179.45 176.72 2kwb h ALA 90 N -1.04 0.29 0.97 5.00 0.00 -1.09 -2.77 119.26 120.62 2kwb h ALA 90 Ca -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2kwb h ALA 90 Cb 0.74 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kwb h ALA 90 CO -0.05 -0.10 -0.46 1.88 0.00 0.00 0.00 179.25 180.51 2kwb h TYR 91 N 0.20 -1.20 -1.00 0.00 0.05 -1.02 -2.75 116.97 111.25 2kwb h TYR 91 Ca 0.07 -0.03 0.12 0.00 0.05 0.00 0.00 58.73 58.94 2kwb h TYR 91 Cb 0.20 0.40 -0.08 0.00 1.01 0.00 0.00 36.73 38.26 2kwb h TYR 91 CO -0.00 -0.75 0.63 0.82 -1.05 0.00 0.00 178.16 177.81 2kwb h ILE 92 N -1.32 0.93 0.70 -2.88 1.08 -0.87 0.31 117.51 115.47 2kwb h ILE 92 Ca -0.13 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 2kwb h ILE 92 Cb 1.00 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2kwb h ILE 92 CO 0.22 0.18 -0.36 0.11 -0.69 0.00 0.00 178.15 177.61 2kwb h LYS 93 N 1.00 -0.94 0.14 2.37 1.57 -1.46 0.82 116.57 120.07 2kwb h LYS 93 Ca 0.49 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 2kwb h LYS 93 Cb 0.47 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2kwb h LYS 93 CO -0.25 -0.63 -0.07 0.87 -0.57 0.00 0.00 179.45 178.81 2kwb h LYS 94 N -0.97 -0.18 -0.71 3.15 1.79 -1.17 -2.56 116.57 115.91 2kwb h LYS 94 Ca -0.09 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.54 2kwb h LYS 94 Cb 0.76 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.32 2kwb h LYS 94 CO 0.14 0.08 -0.09 0.35 -1.08 0.00 0.00 179.45 178.85 2kwb h PHE 95 N -0.43 -0.22 -0.41 -1.35 3.57 -0.43 0.19 116.94 117.86 2kwb h PHE 95 Ca -0.02 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2kwb h PHE 95 Cb 0.34 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2kwb h PHE 95 CO 0.01 -0.27 0.15 1.98 -2.23 0.00 0.00 178.31 177.95 2kwb h MET 96 N 0.05 0.59 -0.02 1.11 4.05 -0.78 -0.92 114.93 119.00 2kwb h MET 96 Ca 0.37 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.70 2kwb h MET 96 Cb 0.60 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2kwb h MET 96 CO -0.68 0.50 0.00 -0.22 0.23 0.00 0.00 176.91 176.74 2kwb h LYS 97 N 0.58 0.03 -0.38 0.39 1.63 -0.32 -2.69 116.57 115.82 2kwb h LYS 97 Ca 0.14 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2kwb h LYS 97 Cb 0.14 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2kwb h LYS 97 CO -0.01 0.29 0.25 -0.91 -3.45 0.00 0.00 179.45 175.61 2kwb h ASN 98 N -0.23 0.42 -0.58 4.20 4.21 -0.43 0.07 115.58 123.24 2kwb h ASN 98 Ca 0.01 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 2kwb h ASN 98 Cb 0.28 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2kwb h ASN 98 CO 0.00 0.30 0.04 -0.37 -1.29 0.00 0.00 177.43 176.12 2kwb h VAL 99 N 0.50 1.26 -0.03 2.81 -1.51 -1.25 0.80 116.25 118.83 2kwb h VAL 99 Ca 0.14 -1.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.52 2kwb h VAL 99 Cb -0.05 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 29.86 2kwb h VAL 99 CO -0.04 0.39 -0.04 0.40 -1.23 0.00 0.00 177.57 177.06 2kwb h ILE 100 N 0.94 1.40 -0.92 7.19 1.08 -1.32 -0.58 117.51 125.30 2kwb h ILE 100 Ca 0.18 -1.24 0.11 0.00 -0.39 0.00 0.00 64.86 63.52 2kwb h ILE 100 Cb 0.48 2.17 -0.08 0.00 -3.07 0.00 0.00 36.82 36.32 2kwb h ILE 100 CO 0.02 0.33 0.55 -0.78 -0.69 0.00 0.00 178.15 177.58 2kwb h ASP 101 N -0.41 0.79 0.32 1.72 3.58 -0.93 0.13 116.42 121.62 2kwb h ASP 101 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kwb h ASP 101 Cb 0.56 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2kwb h ASP 101 CO 0.01 0.43 -0.38 -0.74 -2.88 0.00 0.00 179.24 175.67 2kwb h HIS 102 N 0.88 -1.04 -0.44 0.28 -0.00 -0.78 -1.54 115.15 112.51 2kwb h HIS 102 Ca 0.46 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.82 2kwb h HIS 102 Cb 0.46 0.42 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 2kwb h HIS 102 CO -0.03 -0.52 0.20 1.98 -0.00 0.00 0.00 177.93 179.56 2kwb h MET 103 N -0.74 0.64 -0.19 5.26 1.85 0.12 -3.02 114.93 118.85 2kwb h MET 103 Ca -0.02 -0.10 -0.20 0.00 -0.61 0.00 0.00 59.70 58.78 2kwb h MET 103 Cb 0.69 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.61 2kwb h MET 103 CO -0.10 0.56 -0.67 1.05 -0.40 0.00 0.00 176.91 177.35 2kwb h GLU 104 N 0.57 0.73 0.00 0.39 4.11 -0.86 -0.32 114.58 119.21 2kwb h GLU 104 Ca 0.15 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2kwb h GLU 104 Cb 0.14 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kwb h GLU 104 CO -0.02 1.15 0.00 -0.22 0.07 0.00 0.00 179.01 180.00 2kwb h LYS 105 N 0.53 0.00 0.00 1.06 3.64 -1.17 -2.46 116.57 118.17 2kwb h LYS 105 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kwb h LYS 105 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kwb h LYS 105 CO 0.14 0.00 -1.04 0.27 -2.27 0.00 0.00 179.45 176.55 2kwb n ASN 106 N -2.77 2.41 0.00 4.20 0.23 -1.15 -4.96 115.26 113.23 2kwb n ASN 106 Ca 0.01 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 2kwb n ASN 106 Cb 0.25 1.24 0.00 0.00 -2.08 0.00 0.00 39.78 39.19 2kwb n ASN 106 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kwb n ASN 107 N -1.58 0.00 0.00 0.53 2.85 -0.15 -5.03 115.26 111.88 2kwb n ASN 107 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2kwb n ASN 107 Cb 0.17 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.19 2kwb n ASN 107 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2kwb n ARG 108 N -2.01 0.00 -1.67 1.20 0.63 -0.95 -4.94 116.66 108.91 2kwb n ARG 108 Ca 0.00 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.48 2kwb n ARG 108 Cb 0.00 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 31.21 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kwb n ASP 109 N 0.00 3.84 -0.27 6.15 8.00 -1.26 -4.80 116.55 128.21 2kwb n ASP 109 Ca 0.00 0.95 0.03 0.00 0.71 0.00 0.00 54.79 56.48 2kwb n ASP 109 Cb 0.00 -1.47 0.11 0.00 -0.02 0.00 0.00 41.12 39.74 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 9.55 0.02 -0.86 -1.24 1.57 -1.98 0.17 116.57 123.79 2kwb h LYS 110 Ca -0.49 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2kwb h LYS 110 Cb 1.25 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 2kwb h LYS 110 CO 0.94 0.01 0.56 0.00 -0.57 0.00 0.00 179.45 180.39 2kwb h ALA 111 N 1.78 1.71 0.09 3.86 0.00 -1.99 -0.80 119.26 123.90 2kwb h ALA 111 Ca 0.39 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.93 2kwb h ALA 111 Cb 0.62 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2kwb h ALA 111 CO -0.78 0.11 -2.11 -3.47 0.00 0.00 0.00 179.25 172.99 2kwb n ASP 112 N -4.53 2.04 -0.05 0.00 2.03 -0.15 -3.34 116.55 112.54 2kwb n ASP 112 Ca 0.15 0.13 -0.08 0.00 0.52 0.00 0.00 54.79 55.51 2kwb n ASP 112 Cb 0.34 -0.72 0.08 0.00 -0.72 0.00 0.00 41.12 40.11 2kwb n ASP 112 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2kwb h VAL 113 N 0.05 1.28 -0.21 5.18 -1.51 -0.98 0.13 116.25 120.20 2kwb h VAL 113 Ca -0.46 -1.48 -0.14 0.00 -1.23 0.00 0.00 66.70 63.39 2kwb h VAL 113 Cb 2.01 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 32.56 2kwb h VAL 113 CO 0.05 0.48 -0.47 -0.78 -1.23 0.00 0.00 177.57 175.62 2kwb h ASP 114 N 0.59 0.60 -0.20 4.19 3.58 -1.33 0.20 116.42 124.04 2kwb h ASP 114 Ca 0.06 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 2kwb h ASP 114 Cb 0.85 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2kwb h ASP 114 CO 0.07 0.98 0.03 0.00 -2.88 0.00 0.00 179.24 177.44 2kwb h ALA 115 N 1.04 0.27 -0.12 -0.78 0.00 -1.52 0.97 119.26 119.13 2kwb h ALA 115 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kwb h ALA 115 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kwb h ALA 115 CO 0.09 -0.05 0.08 0.35 0.00 0.00 0.00 179.25 179.71 2kwb h PHE 116 N 0.13 0.15 -0.91 0.00 3.57 -0.91 -0.88 116.94 118.10 2kwb h PHE 116 Ca 0.06 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.67 2kwb h PHE 116 Cb 0.33 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 2kwb h PHE 116 CO 0.02 0.10 0.58 -0.22 -2.23 0.00 0.00 178.31 176.57 2kwb h LYS 117 N 0.15 0.86 -0.69 1.11 3.64 -0.53 -0.84 116.57 120.26 2kwb h LYS 117 Ca 0.04 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2kwb h LYS 117 Cb -0.01 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2kwb h LYS 117 CO -0.01 0.57 0.20 -0.22 -2.27 0.00 0.00 179.45 177.71 2kwb h LYS 118 N 0.88 1.09 0.64 1.90 3.64 -0.36 -0.68 116.57 123.68 2kwb h LYS 118 Ca 0.43 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2kwb h LYS 118 Cb 0.45 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kwb h LYS 118 CO -0.19 0.95 -0.36 0.87 -2.27 0.00 0.00 179.45 178.45 2kwb h LYS 119 N 1.03 -0.90 -0.32 1.90 1.79 0.20 0.66 116.57 120.94 2kwb h LYS 119 Ca 0.22 0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.66 2kwb h LYS 119 Cb 0.33 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 2kwb h LYS 119 CO -0.00 -0.60 -0.17 0.97 -1.08 0.00 0.00 179.45 178.56 2kwb h ILE 120 N -0.93 1.25 -0.41 1.86 6.09 -1.35 -1.48 117.51 122.54 2kwb h ILE 120 Ca -0.08 -1.16 -0.01 0.00 -1.37 0.00 0.00 64.86 62.23 2kwb h ILE 120 Cb 0.75 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 2kwb h ILE 120 CO 0.10 0.38 0.20 -0.61 -3.07 0.00 0.00 178.15 175.15 2kwb h GLN 121 N 0.52 0.59 -0.68 2.19 5.75 -1.04 -1.62 115.11 120.82 2kwb h GLN 121 Ca 0.09 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2kwb h GLN 121 Cb 0.59 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 2kwb h GLN 121 CO 0.04 0.51 0.35 0.78 -2.65 0.00 0.00 178.83 177.86 2kwb h GLY 122 N 0.52 1.02 0.85 2.39 0.00 -0.52 -1.37 103.07 105.96 2kwb h GLY 122 Ca 0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2kwb h GLY 122 CO -0.02 0.45 -0.01 -0.25 0.00 0.00 0.00 176.54 176.71 2kwb h TRP 123 N 0.95 -0.03 -0.41 5.60 7.01 -0.94 -2.46 115.95 125.67 2kwb h TRP 123 Ca 0.24 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.11 2kwb h TRP 123 Cb 0.06 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2kwb h TRP 123 CO 0.01 0.13 -0.23 -0.39 -2.79 0.00 0.00 178.44 175.17 2kwb h VAL 124 N -0.18 1.28 0.00 2.65 -1.51 -1.15 0.27 116.25 117.61 2kwb h VAL 124 Ca -0.00 -1.38 -0.06 0.00 -1.23 0.00 0.00 66.70 64.02 2kwb h VAL 124 Cb 0.17 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2kwb h VAL 124 CO 0.00 0.46 -0.29 -0.37 -1.23 0.00 0.00 177.57 176.15 2kwb h VAL 125 N 0.70 1.19 0.01 7.19 -1.51 -1.29 0.57 116.25 123.11 2kwb h VAL 125 Ca 0.09 -1.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.55 2kwb h VAL 125 Cb 0.80 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2kwb h VAL 125 CO 0.07 0.28 -0.01 -1.28 -1.23 0.00 0.00 177.57 175.40 2kwb h SER 126 N 0.00 -0.02 -0.43 4.19 0.87 -1.33 -3.26 113.55 113.56 2kwb h SER 126 Ca -0.00 -0.78 0.03 0.00 -1.23 0.00 0.00 61.79 59.81 2kwb h SER 126 Cb 0.52 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 2kwb h SER 126 CO 0.04 0.82 0.22 0.25 -0.53 0.00 0.00 176.83 177.63 2kwb h LEU 127 N -0.91 0.33 0.00 2.23 5.85 -0.79 -2.25 115.31 119.77 2kwb h LEU 127 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kwb h LEU 127 Cb 0.79 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2kwb h LEU 127 CO 0.00 0.24 0.00 0.18 -0.34 0.00 0.00 178.44 178.52 2kwb n LEU 128 N -4.90 0.00 -4.58 2.25 4.77 0.18 -4.64 117.00 110.08 2kwb n LEU 128 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 2kwb n LEU 128 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2kwb n LEU 128 CO 0.30 0.00 1.39 0.00 -1.33 0.00 0.00 177.39 177.75 2kwb s ALA 129 N -2.00 1.41 -0.19 -1.18 0.00 -0.85 -4.75 121.76 114.20 2kwb s ALA 129 Ca 0.34 -1.97 0.19 0.00 0.00 0.00 0.00 51.96 50.52 2kwb s ALA 129 Cb 0.16 -4.69 1.04 0.00 0.00 0.00 0.00 23.12 19.63 2kwb s ALA 129 CO 0.26 -5.75 1.57 0.36 0.00 0.00 0.00 175.76 172.20 2kwb n LYS 130 N 8.24 0.12 0.02 0.00 0.00 -1.26 -1.44 118.16 123.85 2kwb n LYS 130 Ca 0.44 0.62 -0.11 0.00 -0.00 0.00 0.00 58.31 59.25 2kwb n LYS 130 Cb 0.47 -1.97 -0.06 0.00 -0.00 0.00 0.00 35.03 33.47 2kwb n LYS 130 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kwb h ASP 131 N 0.00 -0.02 0.00 -5.58 3.58 -1.97 -3.08 116.42 109.35 2kwb h ASP 131 Ca 0.00 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2kwb h ASP 131 Cb 0.12 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2kwb h ASP 131 CO 0.00 -0.01 -1.55 0.54 -2.88 0.00 0.00 179.24 175.35 2kwb n ARG 132 N -5.10 1.19 0.00 0.28 1.74 -1.13 -4.66 116.66 108.98 2kwb n ARG 132 Ca -0.06 0.03 0.06 0.00 -0.77 0.00 0.00 57.85 57.11 2kwb n ARG 132 Cb 0.05 -1.20 0.28 0.00 -1.02 0.00 0.00 32.46 30.57 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kwb n PHE 133 N -2.60 0.00 0.24 -1.55 3.01 -0.52 -2.90 117.46 113.15 2kwb n PHE 133 Ca -0.16 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.43 2kwb n PHE 133 Cb 0.71 -0.34 0.67 0.00 -0.01 0.00 0.00 39.48 40.51 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 -0.80 -1.08 2.10 -1.70 -1.65 116.57 113.43 2kwb h LYS 134 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2kwb h LYS 134 Cb 0.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 2kwb h LYS 134 CO 0.00 0.00 0.03 0.09 -2.00 0.00 0.00 179.45 177.57 2kwb n ASN 135 N -2.50 3.48 -4.91 7.07 3.02 -1.14 -4.88 115.26 115.41 2kwb n ASN 135 Ca -0.02 -2.52 -0.27 0.00 -0.03 0.00 0.00 54.58 51.74 2kwb n ASN 135 Cb 0.24 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kwb s LEU 136 N -1.47 3.81 -0.07 3.41 1.43 -0.62 -4.81 118.68 120.35 2kwb s LEU 136 Ca 0.29 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 2kwb s LEU 136 Cb 0.22 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.73 2kwb s LEU 136 CO 0.08 -0.43 -0.16 0.00 0.23 0.00 0.00 176.35 176.07 2kwb s ALA 137 N -2.49 1.53 0.22 4.21 0.00 -1.07 -4.80 121.76 119.36 2kwb s ALA 137 Ca 0.46 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.91 2kwb s ALA 137 Cb -0.10 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2kwb s ALA 137 CO 0.39 0.18 -0.01 -0.06 0.00 0.00 0.00 175.76 176.26 2kwb s PHE 138 N 0.49 2.75 0.02 0.00 0.08 -1.01 -0.19 117.98 120.12 2kwb s PHE 138 Ca -0.14 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2kwb s PHE 138 Cb -0.16 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 2kwb s PHE 138 CO 0.05 0.56 -0.05 -0.06 -0.10 0.00 0.00 175.22 175.62 2kwb s PHE 139 N -2.01 0.45 0.07 0.36 0.40 -0.12 0.29 117.98 117.41 2kwb s PHE 139 Ca 0.29 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2kwb s PHE 139 Cb -0.08 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.13 2kwb s PHE 139 CO 0.19 -0.09 -0.04 -1.50 0.70 0.00 0.00 175.22 174.48 2kwb s ILE 140 N -1.04 0.37 0.83 0.64 2.07 -0.94 -0.20 121.20 122.94 2kwb s ILE 140 Ca -0.09 -1.85 -0.13 0.00 -1.41 0.00 0.00 60.65 57.18 2kwb s ILE 140 Cb -0.08 -1.57 0.10 0.00 0.13 0.00 0.00 42.46 41.04 2kwb s ILE 140 CO -0.00 -0.96 1.20 -0.83 -1.91 0.00 0.00 174.94 172.44 2kwb s GLY 141 N -2.96 2.07 0.06 1.50 0.00 -1.26 -1.32 107.32 105.40 2kwb s GLY 141 Ca 0.09 0.81 -0.36 0.00 0.00 0.00 0.00 44.72 45.25 2kwb s GLY 141 CO -0.08 1.23 1.55 -2.09 0.00 0.00 0.00 173.10 173.71 2kwb h GLU 142 N -1.13 -1.22 -0.04 2.90 4.22 -1.94 -0.22 114.58 117.15 2kwb h GLU 142 Ca -0.46 0.08 -0.17 0.00 0.08 0.00 0.00 59.36 58.90 2kwb h GLU 142 Cb 1.29 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2kwb h GLU 142 CO 0.45 -0.81 -0.72 0.00 -2.18 0.00 0.00 179.01 175.75 2kwb h ARG 143 N -1.27 0.21 -0.96 1.92 2.47 -1.95 -3.18 114.38 111.61 2kwb h ARG 143 Ca -0.12 -0.18 0.16 0.00 -1.26 0.00 0.00 59.98 58.58 2kwb h ARG 143 Cb 0.99 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.26 2kwb h ARG 143 CO 0.17 0.84 0.61 0.00 0.56 0.00 0.00 179.97 182.15 2kwb h ALA 144 N 1.11 1.73 -0.99 0.04 0.00 -1.82 0.13 119.26 119.46 2kwb h ALA 144 Ca -0.02 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.08 2kwb h ALA 144 Cb 1.27 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2kwb h ALA 144 CO 0.11 -0.02 0.62 0.00 0.00 0.00 0.00 179.25 179.95 2kwb h ALA 145 N 1.60 1.64 0.00 0.00 0.00 -1.01 -0.35 119.26 121.14 2kwb h ALA 145 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2kwb h ALA 145 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kwb h ALA 145 CO -0.28 0.07 -1.40 0.39 0.00 0.00 0.00 179.25 178.03 2kwb n GLU 146 N -4.66 0.45 -0.03 0.00 1.02 -0.70 -4.43 120.64 112.29 2kwb n GLU 146 Ca 0.20 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 2kwb n GLU 146 Cb 0.46 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 2kwb n GLU 146 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kwb h GLY 147 N 4.30 0.13 0.00 0.62 0.00 0.17 -3.47 103.07 104.82 2kwb h GLY 147 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2kwb h GLY 147 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.72 2kwb n ALA 148 N -2.49 0.00 1.85 3.60 0.00 -0.23 -4.47 120.51 118.77 2kwb n ALA 148 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.49 2kwb n ALA 148 Cb 0.43 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.73 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 0.00 0.93 -1.27 0.00 -0.58 -1.26 -3.59 120.64 114.86 2kwb n GLU 149 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 2kwb n GLU 149 Cb 0.00 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.40 2kwb n GLU 149 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2kwb n ASN 150 N -0.98 0.62 -4.46 1.62 6.94 -1.26 -4.73 115.26 113.01 2kwb n ASN 150 Ca 0.21 -1.98 -0.32 0.00 -0.02 0.00 0.00 54.58 52.48 2kwb n ASN 150 Cb 0.10 -0.22 -0.13 0.00 -2.36 0.00 0.00 39.78 37.17 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2kwb s GLY 151 N -1.70 1.54 -0.01 4.83 0.00 -1.24 -4.26 107.32 106.48 2kwb s GLY 151 Ca 0.25 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 43.96 2kwb s GLY 151 CO -0.12 -0.93 -0.26 -0.86 0.00 0.00 0.00 173.10 170.93 2kwb s GLN 152 N -1.07 2.04 -0.61 2.90 -2.07 -1.26 -4.77 119.66 114.82 2kwb s GLN 152 Ca 0.13 -0.95 -0.23 0.00 -1.82 0.00 0.00 55.36 52.49 2kwb s GLN 152 Cb -0.11 -2.01 0.05 0.00 -1.09 0.00 0.00 33.01 29.86 2kwb s GLN 152 CO 0.03 0.55 0.97 0.08 -1.32 0.00 0.00 175.29 175.59 2kwb s VAL 153 N -0.63 4.32 -0.41 3.63 1.01 -1.26 -4.24 120.40 122.82 2kwb s VAL 153 Ca 0.10 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2kwb s VAL 153 Cb -0.10 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 31.68 2kwb s VAL 153 CO -0.01 -1.31 1.19 0.00 0.00 0.00 0.00 175.10 174.97 2kwb s ALA 154 N 4.09 3.25 -0.27 5.51 0.00 0.72 -4.87 121.76 130.19 2kwb s ALA 154 Ca 0.27 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 2kwb s ALA 154 Cb -0.14 -3.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 2kwb s ALA 154 CO 0.15 -2.03 0.66 0.42 0.00 0.00 0.00 175.76 174.96 2kwb s ILE 155 N 4.40 4.94 -0.29 0.00 1.01 -1.06 -0.95 121.20 129.26 2kwb s ILE 155 Ca 0.50 1.10 -0.09 0.00 0.00 0.00 0.00 60.65 62.16 2kwb s ILE 155 Cb -0.11 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2kwb s ILE 155 CO 0.27 -0.05 0.13 -0.63 0.00 0.00 0.00 174.94 174.65 2kwb s ILE 156 N 2.60 4.56 -0.19 2.92 -1.09 0.74 0.07 121.20 130.81 2kwb s ILE 156 Ca 0.27 -0.30 -0.05 0.00 -2.23 0.00 0.00 60.65 58.34 2kwb s ILE 156 Cb -0.15 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2kwb s ILE 156 CO 0.10 0.17 0.01 -0.70 -1.23 0.00 0.00 174.94 173.28 2kwb s GLU 157 N 1.62 3.72 -1.00 2.79 2.12 -0.62 -2.60 118.70 124.73 2kwb s GLU 157 Ca 0.05 -0.48 -0.20 0.00 0.36 0.00 0.00 54.97 54.70 2kwb s GLU 157 Cb -0.16 -3.09 0.09 0.00 0.26 0.00 0.00 34.13 31.23 2kwb s GLU 157 CO 0.06 0.11 1.32 0.71 -0.54 0.00 0.00 175.26 176.92 2kwb s TYR 158 N 0.76 2.85 0.21 5.30 2.02 -1.26 -1.00 117.35 126.23 2kwb s TYR 158 Ca 0.01 -1.19 -0.10 0.00 -0.37 0.00 0.00 57.07 55.42 2kwb s TYR 158 Cb -0.14 -4.50 -0.07 0.00 -0.40 0.00 0.00 41.96 36.85 2kwb s TYR 158 CO 0.02 -1.71 0.54 0.50 -1.57 0.00 0.00 175.55 173.34 2kwb s ARG 159 N 3.76 3.83 -0.26 -0.62 3.52 -0.72 -4.93 118.95 123.53 2kwb s ARG 159 Ca 0.40 0.30 -0.12 0.00 -0.13 0.00 0.00 55.73 56.18 2kwb s ARG 159 Cb -0.02 -2.71 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2kwb s ARG 159 CO -0.08 0.35 0.24 -0.51 -0.81 0.00 0.00 175.30 174.49 2kwb s ASP 160 N -2.23 6.13 -0.47 -2.12 1.11 -1.26 -2.37 116.67 115.46 2kwb s ASP 160 Ca 0.45 0.13 -0.05 0.00 0.18 0.00 0.00 52.55 53.26 2kwb s ASP 160 Cb -0.12 -2.14 0.12 0.00 1.07 0.00 0.00 42.92 41.85 2kwb s ASP 160 CO 0.21 -0.05 0.29 -0.69 1.18 0.00 0.00 175.17 176.11 2kwb s VAL 161 N 1.60 3.70 -1.86 -1.27 1.01 -0.84 -4.64 120.40 118.10 2kwb s VAL 161 Ca 0.10 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2kwb s VAL 161 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2kwb s VAL 161 CO 0.09 -0.75 0.00 0.47 0.00 0.00 0.00 175.10 174.91 2kwb n ASP 162 N 4.54 -4.80 0.00 3.32 8.00 -1.26 -0.44 116.55 125.91 2kwb n ASP 162 Ca -0.02 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2kwb n ASP 162 Cb 0.41 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 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 -0.41 0.97 3.54 0.44 0.00 -1.26 -5.10 105.19 103.36 2kwb n GLY 163 Ca -0.18 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -2.00 3.41 -0.41 2.61 2.01 0.42 -4.88 115.64 116.80 2kwb s THR 164 Ca 0.00 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 2kwb s THR 164 Cb 0.00 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.12 2kwb s THR 164 CO 0.00 0.54 1.51 -1.61 -0.69 0.00 0.00 174.62 174.38 2kwb s GLU 165 N -0.93 3.47 -0.36 4.92 0.41 -1.26 -1.98 118.70 122.97 2kwb s GLU 165 Ca 0.13 1.00 0.01 0.00 -0.41 0.00 0.00 54.97 55.71 2kwb s GLU 165 Cb -0.11 -4.08 0.11 0.00 -1.78 0.00 0.00 34.13 28.27 2kwb s GLU 165 CO 0.02 -1.69 0.14 0.14 -0.49 0.00 0.00 175.26 173.38 2kwb s VAL 166 N 5.91 1.36 -0.37 2.63 -7.23 -1.00 -5.01 120.40 116.69 2kwb s VAL 166 Ca 0.65 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 2kwb s VAL 166 Cb -0.15 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.81 2kwb s VAL 166 CO 0.32 -0.73 1.11 -2.84 -0.31 0.00 0.00 175.10 172.65 2kwb s PRO 167 N 1.02 3.94 0.27 4.82 0.02 -1.26 -1.75 135.00 142.07 2kwb s PRO 167 Ca 0.13 0.90 0.08 0.00 0.02 0.00 0.00 61.00 62.13 2kwb s PRO 167 Cb -0.20 -3.80 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 2kwb s PRO 167 CO -0.13 -1.08 0.17 -0.08 -0.33 0.00 0.00 177.00 175.54 2kwb s THR 168 N 3.98 4.02 -0.13 0.99 -1.32 -0.17 -4.00 115.64 119.01 2kwb s THR 168 Ca 0.47 -1.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.41 2kwb s THR 168 Cb -0.11 -3.23 -0.02 0.00 -1.51 0.00 0.00 72.50 67.63 2kwb s THR 168 CO 0.21 -0.32 -0.08 -0.22 -2.21 0.00 0.00 174.62 172.01 2kwb s LEU 169 N -3.83 3.04 -0.18 9.08 2.96 0.66 -1.59 118.68 128.82 2kwb s LEU 169 Ca 0.34 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 2kwb s LEU 169 Cb -0.07 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2kwb s LEU 169 CO 0.24 0.20 -0.05 -0.32 -1.32 0.00 0.00 176.35 175.10 2kwb s MET 170 N 0.15 3.50 0.05 1.98 -2.45 0.11 -1.55 119.30 121.10 2kwb s MET 170 Ca -0.04 -0.59 0.03 0.00 -1.25 0.00 0.00 55.69 53.84 2kwb s MET 170 Cb -0.14 -2.92 -0.03 0.00 1.25 0.00 0.00 34.83 33.00 2kwb s MET 170 CO 0.04 0.05 -0.09 -0.51 1.05 0.00 0.00 175.02 175.55 2kwb s LEU 171 N 0.85 2.27 -0.24 4.11 1.43 -0.76 -2.56 118.68 123.77 2kwb s LEU 171 Ca -0.01 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.30 2kwb s LEU 171 Cb -0.15 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 2kwb s LEU 171 CO 0.01 -0.19 0.62 -0.69 0.23 0.00 0.00 176.35 176.34 2kwb s VAL 172 N -1.44 5.00 0.14 -1.59 1.01 -1.26 0.02 120.40 122.27 2kwb s VAL 172 Ca -0.07 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.86 2kwb s VAL 172 Cb -0.09 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2kwb s VAL 172 CO 0.01 0.05 1.79 0.50 0.00 0.00 0.00 175.10 177.45 2kwb h LYS 173 N 7.81 0.40 0.00 2.72 3.11 -1.33 -1.84 116.57 127.44 2kwb h LYS 173 Ca -0.28 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.54 2kwb h LYS 173 Cb 1.13 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2kwb h LYS 173 CO 0.77 0.27 -0.01 0.93 -2.81 0.00 0.00 179.45 178.60 2kwb h GLU 174 N 0.41 0.00 0.00 1.90 4.39 -1.89 -2.55 114.58 116.84 2kwb h GLU 174 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kwb h GLU 174 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kwb h GLU 174 CO -0.05 0.01 -1.88 0.00 -1.16 0.00 0.00 179.01 175.93 2kwb n ALA 175 N -2.10 2.79 -2.62 3.43 0.00 -0.99 -4.91 120.51 116.11 2kwb n ALA 175 Ca -0.02 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 2kwb n ALA 175 Cb 0.15 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 2kwb n ALA 175 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2kwb s ILE 176 N -3.37 5.20 -0.38 0.00 1.10 -0.73 -0.73 121.20 122.29 2kwb s ILE 176 Ca -0.07 0.54 -0.15 0.00 -0.51 0.00 0.00 60.65 60.47 2kwb s ILE 176 Cb 0.13 -3.68 0.01 0.00 0.15 0.00 0.00 42.46 39.06 2kwb s ILE 176 CO 0.83 0.20 0.32 -0.63 -2.11 0.00 0.00 174.94 173.54 2kwb s ILE 177 N 1.83 5.22 0.07 2.00 -1.09 0.51 -4.91 121.20 124.83 2kwb s ILE 177 Ca 0.15 -0.39 -0.27 0.00 -2.23 0.00 0.00 60.65 57.91 2kwb s ILE 177 Cb -0.15 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 2kwb s ILE 177 CO 0.09 -0.22 0.83 -1.83 -1.23 0.00 0.00 174.94 172.58 2kwb s GLU 178 N 1.82 4.56 0.02 2.79 -1.05 -1.26 -0.92 118.70 124.67 2kwb s GLU 178 Ca 0.07 1.20 0.05 0.00 -0.15 0.00 0.00 54.97 56.14 2kwb s GLU 178 Cb -0.18 -3.37 -0.02 0.00 -0.44 0.00 0.00 34.13 30.13 2kwb s GLU 178 CO 0.11 0.26 -0.14 -1.21 0.95 0.00 0.00 175.26 175.23 2kwb s GLU 179 N -0.04 0.98 -0.27 -4.83 0.41 0.88 -5.00 118.70 110.82 2kwb s GLU 179 Ca 0.41 -0.67 -0.01 0.00 -0.41 0.00 0.00 54.97 54.29 2kwb s GLU 179 Cb -0.21 -0.97 0.09 0.00 -1.78 0.00 0.00 34.13 31.25 2kwb s GLU 179 CO 0.25 0.25 0.06 -1.59 -0.49 0.00 0.00 175.26 173.74 2kwb s LYS 180 N -0.89 0.85 -0.41 1.61 -2.85 -1.26 -2.23 119.74 114.56 2kwb s LYS 180 Ca 0.03 -0.94 0.01 0.00 -1.00 0.00 0.00 55.97 54.07 2kwb s LYS 180 Cb -0.07 -2.14 0.14 0.00 -2.06 0.00 0.00 37.83 33.70 2kwb s LYS 180 CO 0.01 -0.85 0.23 0.00 0.10 0.00 0.00 175.35 174.84 2kwb s LEU 182 N 0.60 5.24 0.00 0.00 1.02 -1.26 -5.06 118.68 119.22 2kwb s LEU 182 Ca 0.18 -2.36 0.21 0.00 0.02 0.00 0.00 54.13 52.18 2kwb s LEU 182 Cb -0.24 -1.84 0.17 0.00 0.02 0.00 0.00 46.19 44.30 2kwb s LEU 182 CO 0.00 -0.47 1.17 -0.62 0.02 0.00 0.00 176.35 176.45