#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkx s LYS 6 N 0.00 4.24 0.00 3.49 2.20 -1.26 -2.43 119.74 125.99 2wkx s LYS 6 Ca 0.00 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2wkx s LYS 6 Cb 0.00 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2wkx s LYS 6 CO 0.00 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 2wkx n GLY 7 N 3.41 0.61 3.26 5.54 0.00 -1.26 -4.93 105.19 111.81 2wkx n GLY 7 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2wkx n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkx s ILE 8 N -2.21 2.79 -0.21 -0.61 -1.09 -1.02 0.12 121.20 118.97 2wkx s ILE 8 Ca 0.00 -0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 2wkx s ILE 8 Cb 0.00 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.66 2wkx s ILE 8 CO 0.00 0.49 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.46 2wkx s VAL 9 N 1.09 3.35 -0.02 2.92 1.01 0.51 -4.60 120.40 124.65 2wkx s VAL 9 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 2wkx s VAL 9 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2wkx s VAL 9 CO -0.04 0.44 0.89 -1.61 0.00 0.00 0.00 175.10 174.78 2wkx s GLU 10 N 1.31 4.52 0.44 2.72 0.41 -1.26 -0.12 118.70 126.71 2wkx s GLU 10 Ca 0.04 1.24 0.03 0.00 -0.41 0.00 0.00 54.97 55.87 2wkx s GLU 10 Cb -0.14 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.73 2wkx s GLU 10 CO -0.02 -0.02 0.09 0.15 -0.49 0.00 0.00 175.26 174.97 2wkx s LYS 11 N 0.97 2.01 -0.42 1.61 -0.14 -0.47 -4.96 119.74 118.34 2wkx s LYS 11 Ca 0.47 -2.24 -0.25 0.00 -1.36 0.00 0.00 55.97 52.59 2wkx s LYS 11 Cb -0.20 -0.90 0.02 0.00 -1.68 0.00 0.00 37.83 35.08 2wkx s LYS 11 CO 0.24 -0.44 0.87 -2.00 -0.76 0.00 0.00 175.35 173.26 2wkx s GLU 12 N -3.76 3.61 0.00 1.68 2.12 -1.26 -3.78 118.70 117.31 2wkx s GLU 12 Ca 0.19 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2wkx s GLU 12 Cb 0.02 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.53 2wkx s GLU 12 CO 0.11 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 2wkx n GLY 13 N 4.76 0.90 3.66 -1.50 0.00 -1.26 -5.02 105.19 106.73 2wkx n GLY 13 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2wkx n GLY 13 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wkx s TYR 14 N -2.89 -0.21 0.17 1.61 -0.85 -1.25 -5.18 117.35 108.75 2wkx s TYR 14 Ca 0.00 -0.03 0.08 0.00 -0.52 0.00 0.00 57.07 56.60 2wkx s TYR 14 Cb 0.00 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 2wkx s TYR 14 CO 0.00 -0.73 -0.18 1.14 -1.52 0.00 0.00 175.55 174.26 2wkx s GLN 15 N -3.24 1.27 -0.14 -3.49 -2.07 -1.26 -1.36 119.66 109.36 2wkx s GLN 15 Ca 0.10 -1.42 -0.02 0.00 -1.82 0.00 0.00 55.36 52.19 2wkx s GLN 15 Cb -0.01 -1.28 -0.02 0.00 -1.09 0.00 0.00 33.01 30.60 2wkx s GLN 15 CO -0.02 0.25 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.63 2wkx s LEU 16 N -2.74 3.08 -0.38 2.60 1.43 0.83 -4.95 118.68 118.54 2wkx s LEU 16 Ca 0.16 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 2wkx s LEU 16 Cb -0.05 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2wkx s LEU 16 CO 0.07 0.18 0.27 -0.62 0.23 0.00 0.00 176.35 176.48 2wkx s ASP 17 N 0.29 6.08 -0.08 2.29 -1.08 -1.26 -0.36 116.67 122.55 2wkx s ASP 17 Ca -0.06 -0.70 0.17 0.00 -0.52 0.00 0.00 52.55 51.44 2wkx s ASP 17 Cb -0.15 -2.15 0.57 0.00 -1.46 0.00 0.00 42.92 39.74 2wkx s ASP 17 CO 0.04 -0.36 1.49 0.35 0.52 0.00 0.00 175.17 177.21 2wkx n THR 18 N 5.13 1.58 0.19 1.71 -2.24 0.12 -4.65 114.28 116.11 2wkx n THR 18 Ca -0.12 -1.23 0.04 0.00 -2.27 0.00 0.00 64.05 60.48 2wkx n THR 18 Cb 0.48 0.22 0.35 0.00 -2.10 0.00 0.00 70.33 69.28 2wkx n THR 18 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wkx h ARG 19 N 3.21 0.00 -4.75 -0.78 3.08 -1.92 -3.40 114.38 109.81 2wkx h ARG 19 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 2wkx h ARG 19 Cb 1.20 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.02 2wkx h ARG 19 CO 0.14 0.39 -0.55 1.03 -1.07 0.00 0.00 179.97 179.91 2wkx s ARG 20 N -3.84 3.25 -0.18 0.04 1.81 -1.26 -5.09 118.95 113.68 2wkx s ARG 20 Ca -0.01 -0.78 -0.08 0.00 -1.72 0.00 0.00 55.73 53.14 2wkx s ARG 20 Cb 0.13 -3.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 2wkx s ARG 20 CO 0.70 -0.46 0.09 -0.65 -0.68 0.00 0.00 175.30 174.30 2wkx s GLN 21 N 1.60 3.93 0.43 3.54 -0.21 -1.26 -5.09 119.66 122.60 2wkx s GLN 21 Ca 0.04 -0.28 -0.24 0.00 0.02 0.00 0.00 55.36 54.90 2wkx s GLN 21 Cb -0.17 -3.26 -0.08 0.00 1.00 0.00 0.00 33.01 30.50 2wkx s GLN 21 CO 0.06 0.37 1.18 0.00 -2.12 0.00 0.00 175.29 174.78 2wkx s ALA 22 N 0.12 3.07 0.19 6.09 0.00 -1.26 -4.96 121.76 125.00 2wkx s ALA 22 Ca 0.07 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 2wkx s ALA 22 Cb -0.12 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.71 2wkx s ALA 22 CO -0.00 -0.61 1.46 1.96 0.00 0.00 0.00 175.76 178.57 2wkx h GLN 23 N 2.34 0.42 -5.48 0.00 4.20 -2.07 -3.39 115.11 111.14 2wkx h GLN 23 Ca -0.49 -0.32 -0.68 0.00 0.06 0.00 0.00 58.65 57.22 2wkx h GLN 23 Cb 1.24 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.95 2wkx h GLN 23 CO 0.61 0.94 1.62 0.00 -0.67 0.00 0.00 178.83 181.34 2wkx s ALA 24 N -3.72 3.40 -0.08 3.87 0.00 -1.26 -4.87 121.76 119.10 2wkx s ALA 24 Ca -0.06 -2.89 -0.03 0.00 0.00 0.00 0.00 51.96 48.98 2wkx s ALA 24 Cb 0.11 -4.39 0.05 0.00 0.00 0.00 0.00 23.12 18.88 2wkx s ALA 24 CO 0.84 -3.17 0.16 0.00 0.00 0.00 0.00 175.76 173.58 2wkx s ALA 25 N 3.41 -0.19 0.05 0.00 0.00 -1.26 -5.16 121.76 118.60 2wkx s ALA 25 Ca 0.46 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 2wkx s ALA 25 Cb -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2wkx s ALA 25 CO -0.00 -0.47 -0.03 0.71 0.00 0.00 0.00 175.76 175.97 2wkx s TYR 26 N 2.02 0.49 0.51 0.00 1.51 -1.26 -5.14 117.35 115.48 2wkx s TYR 26 Ca 0.00 -0.90 -0.23 0.00 -1.01 0.00 0.00 57.07 54.93 2wkx s TYR 26 Cb -0.12 -0.35 -0.06 0.00 -0.11 0.00 0.00 41.96 41.32 2wkx s TYR 26 CO -0.06 -0.30 1.35 -2.30 -1.11 0.00 0.00 175.55 173.13 2wkx n PRO 27 N 0.52 1.84 0.21 -1.71 -0.02 -1.26 -4.91 135.00 129.67 2wkx n PRO 27 Ca -0.17 0.67 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 2wkx n PRO 27 Cb 0.59 -2.55 0.27 0.00 -0.02 0.00 0.00 33.50 31.80 2wkx n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wkx h ARG 28 N 1.70 0.00 -5.59 -0.52 3.08 -1.96 -3.43 114.38 107.66 2wkx h ARG 28 Ca -0.50 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.93 2wkx h ARG 28 Cb 1.30 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 2wkx h ARG 28 CO 0.58 0.16 0.23 0.42 -1.07 0.00 0.00 179.97 180.29 2wkx s ILE 29 N -3.30 4.90 0.00 2.04 1.01 -1.26 -4.43 121.20 120.16 2wkx s ILE 29 Ca 0.04 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2wkx s ILE 29 Cb 0.07 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2wkx s ILE 29 CO 0.66 -0.13 0.00 0.29 0.00 0.00 0.00 174.94 175.76 2wkx n LYS 30 N 5.94 4.36 -4.12 2.79 5.02 0.45 -4.87 118.16 127.73 2wkx n LYS 30 Ca 0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 2wkx n LYS 30 Cb 0.49 -0.53 -0.14 0.00 -0.02 0.00 0.00 35.03 34.83 2wkx n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wkx s VAL 31 N -1.00 0.39 -0.19 -0.18 1.01 -0.95 -4.56 120.40 114.92 2wkx s VAL 31 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2wkx s VAL 31 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2wkx s VAL 31 CO 0.00 0.02 -0.15 -0.22 0.00 0.00 0.00 175.10 174.75 2wkx s LEU 32 N -0.35 2.37 -0.16 3.92 2.96 -0.05 -1.48 118.68 125.89 2wkx s LEU 32 Ca -0.00 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 2wkx s LEU 32 Cb -0.03 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2wkx s LEU 32 CO -0.00 0.00 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.32 2wkx s VAL 33 N 1.31 4.04 -0.16 1.68 1.01 0.04 -0.73 120.40 127.59 2wkx s VAL 33 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 2wkx s VAL 33 Cb -0.14 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2wkx s VAL 33 CO -0.09 0.49 0.07 -0.63 0.00 0.00 0.00 175.10 174.94 2wkx s ILE 34 N 0.31 4.89 0.20 2.22 -1.09 0.19 -0.99 121.20 126.93 2wkx s ILE 34 Ca -0.03 -0.01 0.08 0.00 -2.23 0.00 0.00 60.65 58.46 2wkx s ILE 34 Cb -0.14 -3.18 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2wkx s ILE 34 CO 0.02 0.50 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.09 2wkx s HIS 35 N -0.01 1.68 0.19 3.97 3.76 -0.44 -1.85 115.29 122.59 2wkx s HIS 35 Ca 0.07 -0.58 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 2wkx s HIS 35 Cb -0.12 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 2wkx s HIS 35 CO 0.01 0.33 0.02 1.52 -0.85 0.00 0.00 174.74 175.77 2wkx s TYR 36 N -2.89 2.86 -0.25 1.40 -0.85 -1.26 -1.31 117.35 115.05 2wkx s TYR 36 Ca 0.21 -0.14 0.20 0.00 -0.52 0.00 0.00 57.07 56.82 2wkx s TYR 36 Cb -0.01 -1.36 0.08 0.00 0.38 0.00 0.00 41.96 41.05 2wkx s TYR 36 CO 0.06 0.53 1.23 1.79 -1.52 0.00 0.00 175.55 177.65 2wkx h THR 37 N 2.26 0.27 -5.83 -3.49 1.35 -1.38 -3.46 112.91 102.64 2wkx h THR 37 Ca -0.47 -1.45 -0.43 0.00 -0.55 0.00 0.00 66.41 63.51 2wkx h THR 37 Cb 1.21 1.93 -0.09 0.00 -1.73 0.00 0.00 68.15 69.47 2wkx h THR 37 CO 0.59 0.16 -0.65 0.00 -0.25 0.00 0.00 175.52 175.36 2wkx n ALA 38 N -2.21 -1.14 -3.48 6.62 0.00 -0.20 -4.94 120.51 115.15 2wkx n ALA 38 Ca -0.00 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2wkx n ALA 38 Cb 0.64 -3.33 -0.02 0.00 0.00 0.00 0.00 19.45 16.74 2wkx n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wkx s ASP 39 N -2.95 -0.43 1.04 0.00 -1.08 -1.25 -4.91 116.67 107.10 2wkx s ASP 39 Ca 0.52 0.04 -0.14 0.00 -0.52 0.00 0.00 52.55 52.45 2wkx s ASP 39 Cb -0.27 0.44 0.21 0.00 -1.46 0.00 0.00 42.92 41.84 2wkx s ASP 39 CO 0.64 -0.70 1.10 1.51 0.52 0.00 0.00 175.17 178.24 2wkx s ASP 40 N -2.46 2.27 0.05 -0.34 1.47 -1.26 -4.32 116.67 112.08 2wkx s ASP 40 Ca 0.03 1.01 -0.27 0.00 1.18 0.00 0.00 52.55 54.50 2wkx s ASP 40 Cb -0.01 -1.56 -0.17 0.00 -0.34 0.00 0.00 42.92 40.83 2wkx s ASP 40 CO -0.09 -3.33 1.51 0.15 0.68 0.00 0.00 175.17 174.09 2wkx h PHE 41 N -2.03 -0.44 -0.75 2.11 3.57 -1.98 -0.59 116.94 116.83 2wkx h PHE 41 Ca -0.52 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 2wkx h PHE 41 Cb 1.32 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.17 2wkx h PHE 41 CO -0.25 -0.19 0.41 -0.44 -2.23 0.00 0.00 178.31 175.60 2wkx h ASP 42 N -0.61 0.94 -0.46 0.41 3.32 -1.99 0.60 116.42 118.63 2wkx h ASP 42 Ca -0.05 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2wkx h ASP 42 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2wkx h ASP 42 CO 0.08 0.76 0.04 0.28 -1.72 0.00 0.00 179.24 178.68 2wkx h SER 43 N 1.03 0.76 -0.56 6.45 0.02 -1.93 -1.35 113.55 117.97 2wkx h SER 43 Ca 0.26 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2wkx h SER 43 Cb 0.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2wkx h SER 43 CO -0.04 0.86 0.35 0.28 -1.14 0.00 0.00 176.83 177.13 2wkx h SER 44 N 0.63 0.57 -0.62 3.07 0.02 -0.72 -0.63 113.55 115.89 2wkx h SER 44 Ca 0.13 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2wkx h SER 44 Cb 0.45 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2wkx h SER 44 CO 0.02 0.41 0.32 0.25 -1.14 0.00 0.00 176.83 176.68 2wkx h LEU 45 N 0.69 0.79 -0.17 5.07 5.85 -0.66 0.63 115.31 127.51 2wkx h LEU 45 Ca 0.22 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wkx h LEU 45 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2wkx h LEU 45 CO -0.08 0.68 0.09 0.00 -0.34 0.00 0.00 178.44 178.79 2wkx h ALA 46 N 1.15 0.21 -0.29 1.25 0.00 -0.97 -2.14 119.26 118.47 2wkx h ALA 46 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wkx h ALA 46 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wkx h ALA 46 CO -0.03 -0.26 0.18 1.15 0.00 0.00 0.00 179.25 180.30 2wkx h THR 47 N 0.18 1.09 0.00 0.00 2.02 -0.91 -2.89 112.91 112.39 2wkx h THR 47 Ca 0.06 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2wkx h THR 47 Cb 0.06 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2wkx h THR 47 CO -0.01 0.08 0.00 0.18 0.37 0.00 0.00 175.52 176.14 2wkx n LEU 48 N -4.87 0.00 -0.57 2.58 4.77 0.19 -1.73 117.00 117.37 2wkx n LEU 48 Ca -0.02 0.28 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 2wkx n LEU 48 Cb 0.04 -0.28 0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2wkx n LEU 48 CO 0.34 -0.03 0.58 0.35 -1.33 0.00 0.00 177.39 177.30 2wkx n THR 49 N -1.28 0.80 -1.20 -5.08 -2.24 -0.82 -4.08 114.28 100.38 2wkx n THR 49 Ca 0.13 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2wkx n THR 49 Cb 0.21 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2wkx n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wkx n ASP 50 N 0.49 0.00 0.05 3.42 5.68 -0.71 -5.00 116.55 120.49 2wkx n ASP 50 Ca 0.10 -0.99 0.13 0.00 -0.50 0.00 0.00 54.79 53.53 2wkx n ASP 50 Cb 0.39 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.80 2wkx n ASP 50 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2wkx n LYS 51 N -0.99 0.14 -0.03 0.11 5.02 -1.26 -4.32 118.16 116.83 2wkx n LYS 51 Ca 0.00 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2wkx n LYS 51 Cb 0.00 -1.64 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 2wkx n LYS 51 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wkx n GLN 52 N -1.88 1.10 -3.71 1.97 6.02 -1.26 -5.05 117.38 114.57 2wkx n GLN 52 Ca 0.06 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 56.87 2wkx n GLN 52 Cb 0.39 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 2wkx n GLN 52 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2wkx s VAL 53 N -2.62 0.08 0.24 5.09 -7.23 -1.26 -4.95 120.40 109.75 2wkx s VAL 53 Ca -0.05 -0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 59.23 2wkx s VAL 53 Cb 0.06 -1.07 0.04 0.00 0.56 0.00 0.00 36.38 35.97 2wkx s VAL 53 CO 0.50 -0.37 0.84 -0.94 -0.31 0.00 0.00 175.10 174.82 2wkx s SER 54 N -2.41 -0.18 0.14 4.85 1.04 -0.67 -4.09 113.70 112.39 2wkx s SER 54 Ca -0.01 -0.59 -0.06 0.00 0.48 0.00 0.00 55.95 55.77 2wkx s SER 54 Cb 0.01 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 2wkx s SER 54 CO -0.07 -1.19 0.18 -0.94 0.98 0.00 0.00 173.24 172.20 2wkx s SER 55 N -2.98 0.16 0.11 7.02 1.04 -1.26 -3.03 113.70 114.76 2wkx s SER 55 Ca 0.13 -0.97 -0.12 0.00 0.48 0.00 0.00 55.95 55.46 2wkx s SER 55 Cb -0.04 0.37 -0.12 0.00 0.10 0.00 0.00 66.02 66.33 2wkx s SER 55 CO 0.06 -0.81 1.36 0.45 0.98 0.00 0.00 173.24 175.28 2wkx h HIS 56 N 2.70 1.08 -3.84 5.02 3.86 -1.53 -3.34 115.15 119.10 2wkx h HIS 56 Ca -0.33 -0.42 -0.39 0.00 -1.16 0.00 0.00 60.37 58.07 2wkx h HIS 56 Cb 1.21 -0.19 -0.20 0.00 1.06 0.00 0.00 27.41 29.29 2wkx h HIS 56 CO 0.42 1.26 -0.76 0.71 0.86 0.00 0.00 177.93 180.41 2wkx s TYR 57 N -3.97 1.19 -0.12 2.45 2.02 -1.00 -0.55 117.35 117.37 2wkx s TYR 57 Ca -0.11 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 2wkx s TYR 57 Cb 0.09 -0.66 0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2wkx s TYR 57 CO 0.89 0.05 0.01 -1.17 -1.57 0.00 0.00 175.55 173.77 2wkx s LEU 58 N -1.99 0.85 -0.29 -1.29 2.96 0.05 -0.59 118.68 118.38 2wkx s LEU 58 Ca 0.01 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 2wkx s LEU 58 Cb -0.08 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 2wkx s LEU 58 CO 0.02 -0.23 0.12 -0.69 -1.32 0.00 0.00 176.35 174.25 2wkx s VAL 59 N 1.91 4.43 0.82 1.68 1.01 0.23 -1.51 120.40 128.97 2wkx s VAL 59 Ca 0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 2wkx s VAL 59 Cb -0.14 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.08 2wkx s VAL 59 CO -0.06 0.13 0.97 -2.65 0.00 0.00 0.00 175.10 173.49 2wkx n PRO 60 N 4.95 0.10 -0.34 2.72 -0.02 -1.26 -1.29 135.00 139.86 2wkx n PRO 60 Ca -0.14 0.10 0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2wkx n PRO 60 Cb 0.49 -2.25 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 2wkx n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wkx h ALA 61 N -0.97 1.32 -2.96 3.55 0.00 -1.96 -3.32 119.26 114.93 2wkx h ALA 61 Ca -0.46 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 2wkx h ALA 61 Cb 1.30 -0.24 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 2wkx h ALA 61 CO 0.43 0.30 -0.77 0.08 0.00 0.00 0.00 179.25 179.29 2wkx s VAL 62 N -6.03 0.68 0.35 0.00 1.01 -1.26 -3.59 120.40 111.56 2wkx s VAL 62 Ca -0.12 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.01 2wkx s VAL 62 Cb 0.20 -1.51 -0.11 0.00 0.00 0.00 0.00 36.38 34.96 2wkx s VAL 62 CO 0.80 -0.78 1.53 -2.65 0.00 0.00 0.00 175.10 174.00 2wkx n PRO 63 N 4.53 2.70 -2.22 2.72 -0.02 -1.25 -4.96 135.00 136.49 2wkx n PRO 63 Ca 0.02 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 2wkx n PRO 63 Cb 0.40 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.16 2wkx n PRO 63 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wkx s PRO 64 N -1.54 3.83 -0.18 0.52 0.04 -1.26 -4.70 135.00 131.71 2wkx s PRO 64 Ca 0.57 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 63.41 2wkx s PRO 64 Cb -0.48 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 2wkx s PRO 64 CO 0.58 -0.51 0.03 1.03 0.04 0.00 0.00 177.00 178.17 2wkx s ARG 65 N -2.54 3.83 -0.01 4.56 0.52 -1.26 -0.53 118.95 123.51 2wkx s ARG 65 Ca 0.61 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 2wkx s ARG 65 Cb -0.31 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.03 2wkx s ARG 65 CO 0.38 0.19 -0.06 0.71 0.02 0.00 0.00 175.30 176.54 2wkx s TYR 66 N 0.57 0.64 -1.68 -0.53 1.51 -0.26 -4.81 117.35 112.79 2wkx s TYR 66 Ca 0.01 -0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 2wkx s TYR 66 Cb -0.13 -0.46 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 2wkx s TYR 66 CO 0.02 -0.05 0.21 0.09 -1.11 0.00 0.00 175.55 174.70 2wkx n ASN 67 N 3.18 -5.91 -0.93 2.29 3.02 -1.26 -1.68 115.26 113.98 2wkx n ASN 67 Ca -0.16 -0.11 -0.12 0.00 -0.03 0.00 0.00 54.58 54.16 2wkx n ASN 67 Cb 0.56 -4.86 -0.05 0.00 -0.61 0.00 0.00 39.78 34.82 2wkx n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wkx n GLY 68 N -1.19 1.31 3.03 7.41 0.00 -1.26 -5.02 105.19 109.46 2wkx n GLY 68 Ca -0.20 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 2wkx n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkx s LYS 69 N -2.99 0.62 0.32 1.61 1.02 -0.67 -5.11 119.74 114.53 2wkx s LYS 69 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 2wkx s LYS 69 Cb 0.00 -0.55 -0.10 0.00 -0.52 0.00 0.00 37.83 36.65 2wkx s LYS 69 CO 0.00 0.14 1.29 -1.25 -0.92 0.00 0.00 175.35 174.61 2wkx s PRO 70 N -0.63 4.38 -0.14 -1.68 0.04 -1.26 -1.11 135.00 134.60 2wkx s PRO 70 Ca -0.00 2.18 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 2wkx s PRO 70 Cb -0.05 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 2wkx s PRO 70 CO 0.00 -0.16 0.33 0.50 0.04 0.00 0.00 177.00 177.72 2wkx s ARG 71 N -1.69 4.24 0.02 4.56 3.52 0.31 -4.92 118.95 124.99 2wkx s ARG 71 Ca 0.49 0.18 0.09 0.00 -0.13 0.00 0.00 55.73 56.35 2wkx s ARG 71 Cb -0.39 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2wkx s ARG 71 CO 0.51 0.25 -0.26 0.42 -0.81 0.00 0.00 175.30 175.41 2wkx s ILE 72 N 0.41 2.10 -0.08 4.11 1.01 -1.26 -4.45 121.20 123.03 2wkx s ILE 72 Ca 0.19 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.39 2wkx s ILE 72 Cb -0.14 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2wkx s ILE 72 CO 0.06 0.44 0.42 0.26 0.00 0.00 0.00 174.94 176.12 2wkx s TRP 73 N -0.73 3.58 -0.21 3.97 0.51 -0.57 -4.97 118.94 120.53 2wkx s TRP 73 Ca 0.11 0.87 -0.04 0.00 -2.12 0.00 0.00 56.10 54.92 2wkx s TRP 73 Cb -0.10 -2.42 -0.01 0.00 -0.81 0.00 0.00 33.47 30.13 2wkx s TRP 73 CO 0.01 0.35 -0.03 -1.14 -0.51 0.00 0.00 176.95 175.63 2wkx s GLN 74 N -0.00 3.47 -0.04 4.98 0.74 -1.26 -0.77 119.66 126.77 2wkx s GLN 74 Ca 0.23 -0.59 0.15 0.00 0.05 0.00 0.00 55.36 55.21 2wkx s GLN 74 Cb -0.15 -3.01 -0.23 0.00 1.10 0.00 0.00 33.01 30.71 2wkx s GLN 74 CO 0.10 -0.09 0.29 1.28 -0.55 0.00 0.00 175.29 176.32 2wkx n LEU 75 N 4.50 0.00 -3.81 3.68 4.77 0.29 -4.98 117.00 121.44 2wkx n LEU 75 Ca -0.18 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 2wkx n LEU 75 Cb 0.51 0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 2wkx n LEU 75 CO 0.30 0.07 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.38 2wkx s VAL 76 N -2.96 0.01 0.48 4.08 1.01 -1.22 -5.00 120.40 116.80 2wkx s VAL 76 Ca -0.06 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2wkx s VAL 76 Cb 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 36.38 36.30 2wkx s VAL 76 CO 0.64 0.07 1.38 -2.65 0.00 0.00 0.00 175.10 174.54 2wkx n PRO 77 N 3.79 2.02 0.23 2.72 -0.02 -1.26 -4.73 135.00 137.76 2wkx n PRO 77 Ca -0.22 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 2wkx n PRO 77 Cb 0.53 -2.57 0.57 0.00 -0.02 0.00 0.00 33.50 32.02 2wkx n PRO 77 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wkx h GLU 78 N 1.99 0.00 0.00 -0.52 5.08 -2.00 -1.97 114.58 117.15 2wkx h GLU 78 Ca -0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2wkx h GLU 78 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wkx h GLU 78 CO 0.60 0.18 -0.10 -0.56 -1.00 0.00 0.00 179.01 178.12 2wkx h GLN 79 N 0.00 0.00 -6.28 2.33 3.07 -2.00 -3.42 115.11 108.80 2wkx h GLN 79 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 2wkx h GLN 79 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 2wkx h GLN 79 CO 0.02 0.10 -0.28 -1.21 0.09 0.00 0.00 178.83 177.56 2wkx s GLU 80 N -4.51 3.57 0.39 0.06 2.02 -0.74 -5.10 118.70 114.39 2wkx s GLU 80 Ca -0.04 -0.20 -0.23 0.00 0.02 0.00 0.00 54.97 54.52 2wkx s GLU 80 Cb 0.15 -2.79 -0.10 0.00 0.10 0.00 0.00 34.13 31.49 2wkx s GLU 80 CO 0.62 0.37 0.97 -0.48 0.02 0.00 0.00 175.26 176.75 2wkx s LEU 81 N -3.23 4.11 0.28 1.80 0.05 -1.26 -4.80 118.68 115.63 2wkx s LEU 81 Ca 0.40 1.81 0.08 0.00 0.05 0.00 0.00 54.13 56.47 2wkx s LEU 81 Cb -0.11 -4.29 -0.04 0.00 -2.05 0.00 0.00 46.19 39.70 2wkx s LEU 81 CO 0.28 -0.30 0.18 0.00 -0.55 0.00 0.00 176.35 175.97 2wkx s ALA 82 N -1.88 3.57 -1.11 1.48 0.00 -1.26 -5.04 121.76 117.53 2wkx s ALA 82 Ca 0.57 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 2wkx s ALA 82 Cb -0.15 -1.16 0.29 0.00 0.00 0.00 0.00 23.12 22.09 2wkx s ALA 82 CO 0.20 0.19 1.24 0.91 0.00 0.00 0.00 175.76 178.29 2wkx n TRP 83 N -1.18 4.34 -0.01 0.00 8.01 -1.24 -4.69 117.44 122.68 2wkx n TRP 83 Ca -0.06 -3.50 -0.00 0.00 -1.31 0.00 0.00 57.50 52.63 2wkx n TRP 83 Cb 0.59 -1.57 -0.02 0.00 -2.01 0.00 0.00 31.31 28.30 2wkx n TRP 83 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.69 174.29 2wkx n HIS 84 N 2.27 0.00 -0.02 -5.99 1.44 -1.17 -1.66 115.22 110.08 2wkx n HIS 84 Ca 0.25 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.91 2wkx n HIS 84 Cb 0.37 -0.08 -0.13 0.00 0.12 0.00 0.00 29.99 30.28 2wkx n HIS 84 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wkx n ALA 85 N -1.84 1.75 -0.84 1.59 0.00 -1.26 -5.04 120.51 114.86 2wkx n ALA 85 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2wkx n ALA 85 Cb 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2wkx n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkx n GLY 86 N 1.53 0.96 3.69 0.00 0.00 -1.26 -4.58 105.19 105.53 2wkx n GLY 86 Ca -0.18 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2wkx n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkx s ILE 87 N 0.00 2.98 0.20 -0.61 1.01 -1.26 -4.52 121.20 119.01 2wkx s ILE 87 Ca 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.85 2wkx s ILE 87 Cb 0.00 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.25 2wkx s ILE 87 CO 0.00 -0.00 0.65 -0.94 0.00 0.00 0.00 174.94 174.65 2wkx s SER 88 N 2.54 -0.44 -0.26 3.58 1.04 -1.26 -4.72 113.70 114.17 2wkx s SER 88 Ca 0.75 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.72 2wkx s SER 88 Cb -0.40 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.43 2wkx s SER 88 CO 0.33 -1.11 0.68 0.00 0.98 0.00 0.00 173.24 174.12 2wkx s ALA 89 N -3.81 -1.72 -0.26 5.32 0.00 -0.40 -2.82 121.76 118.07 2wkx s ALA 89 Ca 0.05 2.02 -0.09 0.00 0.00 0.00 0.00 51.96 53.94 2wkx s ALA 89 Cb -0.03 -1.18 0.11 0.00 0.00 0.00 0.00 23.12 22.03 2wkx s ALA 89 CO -0.05 -0.33 0.56 -0.46 0.00 0.00 0.00 175.76 175.47 2wkx s TRP 90 N 0.61 -1.13 -1.57 0.00 -0.11 -0.30 -4.40 118.94 112.03 2wkx s TRP 90 Ca -0.02 2.01 -0.15 0.00 1.22 0.00 0.00 56.10 59.16 2wkx s TRP 90 Cb -0.05 0.60 0.10 0.00 -1.50 0.00 0.00 33.47 32.63 2wkx s TRP 90 CO -0.03 -0.59 0.93 0.54 -4.62 0.00 0.00 176.95 173.18 2wkx n ARG 91 N 5.43 -4.94 0.00 5.86 1.74 -0.54 -1.54 116.66 122.67 2wkx n ARG 91 Ca -0.11 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2wkx n ARG 91 Cb 0.49 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 2wkx n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wkx n GLY 92 N -1.62 2.43 3.87 -0.13 0.00 -1.26 -4.97 105.19 103.50 2wkx n GLY 92 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2wkx n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkx s ALA 93 N -2.30 3.26 0.40 4.61 0.00 -0.59 -5.11 121.76 122.03 2wkx s ALA 93 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.86 2wkx s ALA 93 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2wkx s ALA 93 CO 0.00 -0.19 0.12 0.95 0.00 0.00 0.00 175.76 176.64 2wkx s THR 94 N -2.57 0.68 -1.22 0.00 -4.23 -1.26 -1.15 115.64 105.89 2wkx s THR 94 Ca 0.53 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2wkx s THR 94 Cb -0.10 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 2wkx s THR 94 CO 0.36 0.00 0.71 0.54 -0.54 0.00 0.00 174.62 175.68 2wkx n ARG 95 N -0.90 -2.41 0.32 3.99 1.74 -1.13 -4.85 116.66 113.42 2wkx n ARG 95 Ca -0.06 0.51 0.22 0.00 -0.77 0.00 0.00 57.85 57.74 2wkx n ARG 95 Cb 0.65 -4.52 1.15 0.00 -1.02 0.00 0.00 32.46 28.71 2wkx n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wkx h LEU 96 N -1.82 0.00 -1.18 0.55 -0.00 -1.79 -0.65 115.31 110.41 2wkx h LEU 96 Ca -0.64 0.00 0.26 0.00 -0.00 0.00 0.00 57.88 57.49 2wkx h LEU 96 Cb 1.36 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.91 2wkx h LEU 96 CO 0.52 0.00 0.64 0.78 -0.00 0.00 0.00 178.44 180.38 2wkx h ASN 97 N 0.00 0.56 -0.48 -0.43 2.35 -1.87 -1.81 115.58 113.90 2wkx h ASN 97 Ca 0.00 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2wkx h ASN 97 Cb 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 2wkx h ASN 97 CO 0.00 0.09 0.16 0.44 -1.65 0.00 0.00 177.43 176.47 2wkx h ASP 98 N 0.49 0.75 0.00 5.81 3.32 -1.45 -3.18 116.42 122.16 2wkx h ASP 98 Ca 0.62 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.55 2wkx h ASP 98 Cb 1.38 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2wkx h ASP 98 CO -0.39 0.72 -0.02 0.35 -1.72 0.00 0.00 179.24 178.18 2wkx n THR 99 N -4.29 1.59 -4.40 0.35 -2.24 -1.03 -4.85 114.28 99.42 2wkx n THR 99 Ca 0.04 -1.87 -0.20 0.00 -2.27 0.00 0.00 64.05 59.75 2wkx n THR 99 Cb 0.21 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2wkx n THR 99 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wkx s SER 100 N -2.35 2.71 -0.10 3.42 1.04 -0.71 -0.41 113.70 117.29 2wkx s SER 100 Ca 0.23 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 2wkx s SER 100 Cb 0.20 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 2wkx s SER 100 CO 0.02 -0.26 -0.02 -0.63 0.98 0.00 0.00 173.24 173.34 2wkx s ILE 101 N -2.98 4.14 -0.16 -1.02 1.01 -0.55 -4.78 121.20 116.86 2wkx s ILE 101 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2wkx s ILE 101 Cb 0.02 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2wkx s ILE 101 CO 0.10 0.58 -0.10 -0.83 0.00 0.00 0.00 174.94 174.69 2wkx s GLY 102 N -0.58 1.57 -0.22 6.18 0.00 -1.26 -0.78 107.32 112.23 2wkx s GLY 102 Ca 0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 2wkx s GLY 102 CO 0.02 0.04 -0.02 -0.42 0.00 0.00 0.00 173.10 172.72 2wkx s ILE 103 N 0.75 3.58 -0.19 0.90 1.01 -0.16 -1.44 121.20 125.65 2wkx s ILE 103 Ca -0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 2wkx s ILE 103 Cb -0.15 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2wkx s ILE 103 CO 0.02 0.42 0.27 -1.61 0.00 0.00 0.00 174.94 174.03 2wkx s GLU 104 N 1.39 4.19 -0.27 2.79 0.41 0.24 -1.33 118.70 126.12 2wkx s GLU 104 Ca 0.05 0.00 -0.09 0.00 -0.41 0.00 0.00 54.97 54.52 2wkx s GLU 104 Cb -0.14 -3.48 -0.04 0.00 -1.78 0.00 0.00 34.13 28.69 2wkx s GLU 104 CO -0.01 0.14 0.14 -0.51 -0.49 0.00 0.00 175.26 174.52 2wkx s LEU 105 N 0.79 3.77 -0.04 1.80 1.43 -0.43 -0.60 118.68 125.41 2wkx s LEU 105 Ca 0.14 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 2wkx s LEU 105 Cb -0.13 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 2wkx s LEU 105 CO 0.04 -0.05 2.03 -0.70 0.23 0.00 0.00 176.35 177.90 2wkx s GLU 106 N 1.69 3.86 -0.27 1.70 2.12 -0.41 -1.57 118.70 125.81 2wkx s GLU 106 Ca 0.07 2.43 -0.26 0.00 0.36 0.00 0.00 54.97 57.57 2wkx s GLU 106 Cb -0.16 -4.22 0.13 0.00 0.26 0.00 0.00 34.13 30.15 2wkx s GLU 106 CO 0.08 -1.28 1.09 1.21 -0.54 0.00 0.00 175.26 175.82 2wkx s ASN 107 N 5.47 -0.38 0.55 -1.70 3.84 -1.26 -3.96 114.94 117.50 2wkx s ASN 107 Ca 0.91 0.70 0.30 0.00 0.21 0.00 0.00 52.86 54.99 2wkx s ASN 107 Cb -0.40 0.70 1.61 0.00 -0.55 0.00 0.00 41.25 42.61 2wkx s ASN 107 CO 0.39 -0.15 2.12 -0.09 -2.79 0.00 0.00 177.10 176.58 2wkx h ARG 108 N 3.83 0.00 0.00 0.43 2.43 -1.89 -0.51 114.38 118.67 2wkx h ARG 108 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2wkx h ARG 108 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2wkx h ARG 108 CO 0.14 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 179.09 2wkx n GLY 109 N -0.74 1.23 3.91 2.80 0.00 -1.26 -4.41 105.19 106.71 2wkx n GLY 109 Ca -0.02 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2wkx n GLY 109 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wkx s TRP 110 N 0.00 3.49 -0.07 1.61 1.48 -1.26 -1.67 118.94 122.53 2wkx s TRP 110 Ca 0.00 0.43 -0.03 0.00 -1.06 0.00 0.00 56.10 55.43 2wkx s TRP 110 Cb 0.00 -1.90 0.04 0.00 -1.16 0.00 0.00 33.47 30.45 2wkx s TRP 110 CO 0.00 0.50 0.16 -1.14 -4.06 0.00 0.00 176.95 172.41 2wkx s GLN 111 N -2.58 0.11 0.18 3.25 0.74 -0.37 -4.95 119.66 116.04 2wkx s GLN 111 Ca 0.38 0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.86 2wkx s GLN 111 Cb -0.13 -0.14 -0.08 0.00 1.10 0.00 0.00 33.01 33.77 2wkx s GLN 111 CO 0.26 -0.15 1.04 0.15 -0.55 0.00 0.00 175.29 176.04 2wkx s LYS 112 N 1.04 4.67 -0.19 1.67 1.02 -1.26 -1.10 119.74 125.59 2wkx s LYS 112 Ca -0.08 1.63 -0.05 0.00 0.02 0.00 0.00 55.97 57.49 2wkx s LYS 112 Cb -0.10 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 33.98 2wkx s LYS 112 CO -0.05 0.19 0.09 0.45 -0.92 0.00 0.00 175.35 175.11 2wkx s SER 113 N -0.33 2.54 -1.49 2.83 0.15 0.05 -4.72 113.70 112.73 2wkx s SER 113 Ca 0.47 -0.72 -0.12 0.00 0.70 0.00 0.00 55.95 56.29 2wkx s SER 113 Cb -0.28 -0.27 0.07 0.00 -1.71 0.00 0.00 66.02 63.83 2wkx s SER 113 CO 0.34 -0.36 0.95 0.00 1.20 0.00 0.00 173.24 175.37 2wkx n ALA 114 N 5.26 -1.40 0.00 5.45 0.00 -1.26 -2.42 120.51 126.15 2wkx n ALA 114 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2wkx n ALA 114 Cb 0.48 -4.17 0.00 0.00 0.00 0.00 0.00 19.45 15.76 2wkx n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkx n GLY 115 N -1.70 3.04 3.70 0.00 0.00 -1.26 -5.00 105.19 103.98 2wkx n GLY 115 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wkx n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wkx s VAL 116 N -1.27 4.54 -0.38 1.61 1.01 -1.02 -4.93 120.40 119.96 2wkx s VAL 116 Ca 0.00 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 2wkx s VAL 116 Cb 0.00 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2wkx s VAL 116 CO 0.00 0.08 1.56 -0.75 0.00 0.00 0.00 175.10 175.99 2wkx s LYS 117 N 1.47 3.48 -0.13 2.72 2.20 -1.26 -0.77 119.74 127.45 2wkx s LYS 117 Ca 0.53 1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 57.24 2wkx s LYS 117 Cb -0.23 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 2wkx s LYS 117 CO 0.25 -1.68 -0.08 0.71 -0.36 0.00 0.00 175.35 174.19 2wkx s TYR 118 N 5.98 2.93 0.40 4.03 2.02 -0.26 -4.92 117.35 127.53 2wkx s TYR 118 Ca 0.68 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 2wkx s TYR 118 Cb -0.17 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2wkx s TYR 118 CO 0.33 -0.03 0.67 -0.06 -1.57 0.00 0.00 175.55 174.89 2wkx s PHE 119 N 0.15 3.52 -0.21 2.71 0.08 -1.26 -1.24 117.98 121.72 2wkx s PHE 119 Ca -0.04 0.67 -0.15 0.00 0.12 0.00 0.00 56.93 57.53 2wkx s PHE 119 Cb -0.14 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2wkx s PHE 119 CO 0.04 -0.05 0.36 0.00 -0.10 0.00 0.00 175.22 175.47 2wkx s ALA 120 N -2.45 3.57 0.68 5.36 0.00 -0.67 -4.99 121.76 123.27 2wkx s ALA 120 Ca 0.45 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 2wkx s ALA 120 Cb -0.10 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.43 2wkx s ALA 120 CO 0.38 -0.33 1.27 -2.14 0.00 0.00 0.00 175.76 174.95 2wkx s PRO 121 N 1.36 2.34 -0.13 0.00 0.02 -1.26 -4.79 135.00 132.54 2wkx s PRO 121 Ca 0.17 1.99 -0.21 0.00 0.02 0.00 0.00 61.00 62.98 2wkx s PRO 121 Cb -0.15 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 2wkx s PRO 121 CO 0.08 -1.74 0.60 -0.06 -0.33 0.00 0.00 177.00 175.55 2wkx s PHE 122 N -1.57 3.48 0.27 6.54 0.40 -1.26 -4.99 117.98 120.85 2wkx s PHE 122 Ca 0.80 1.01 -0.29 0.00 -0.60 0.00 0.00 56.93 57.85 2wkx s PHE 122 Cb -0.35 -2.72 -0.10 0.00 0.51 0.00 0.00 43.02 40.36 2wkx s PHE 122 CO 0.42 0.02 1.25 -1.21 0.70 0.00 0.00 175.22 176.40 2wkx s GLU 123 N 1.14 4.44 0.37 0.44 2.02 -1.26 -4.92 118.70 120.92 2wkx s GLU 123 Ca 0.30 2.05 0.12 0.00 0.02 0.00 0.00 54.97 57.46 2wkx s GLU 123 Cb -0.16 -3.15 0.90 0.00 0.10 0.00 0.00 34.13 31.82 2wkx s GLU 123 CO 0.13 -0.11 1.84 -1.35 0.02 0.00 0.00 175.26 175.79 2wkx h PRO 124 N 4.22 0.58 -0.89 0.39 0.11 -1.97 -1.34 132.00 133.11 2wkx h PRO 124 Ca -0.47 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.70 2wkx h PRO 124 Cb 1.22 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 2wkx h PRO 124 CO 0.70 0.39 0.54 0.00 -0.21 0.00 0.00 178.00 179.42 2wkx h ALA 125 N 1.61 1.27 -0.30 -0.75 0.00 -1.91 0.63 119.26 119.81 2wkx h ALA 125 Ca 0.49 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 2wkx h ALA 125 Cb 0.95 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wkx h ALA 125 CO -0.24 0.21 -0.05 0.37 0.00 0.00 0.00 179.25 179.54 2wkx h GLN 126 N 0.92 0.56 -0.59 0.00 4.15 -1.30 -2.09 115.11 116.76 2wkx h GLN 126 Ca 0.42 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 2wkx h GLN 126 Cb 0.32 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2wkx h GLN 126 CO -0.22 0.74 0.07 0.82 -1.93 0.00 0.00 178.83 178.31 2wkx h ILE 127 N 0.34 1.26 -0.78 2.39 1.08 -1.22 -0.84 117.51 119.74 2wkx h ILE 127 Ca 0.08 -1.03 -0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2wkx h ILE 127 Cb 0.52 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 2wkx h ILE 127 CO 0.02 0.38 0.47 1.56 -0.69 0.00 0.00 178.15 179.90 2wkx h GLN 128 N 0.90 1.06 -0.27 2.37 4.20 -0.86 -1.42 115.11 121.09 2wkx h GLN 128 Ca 0.18 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 2wkx h GLN 128 Cb 0.46 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2wkx h GLN 128 CO 0.02 0.74 -0.34 0.00 -0.67 0.00 0.00 178.83 178.58 2wkx h ALA 129 N 1.44 0.41 -0.68 3.87 0.00 -1.12 -3.31 119.26 119.87 2wkx h ALA 129 Ca 0.28 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wkx h ALA 129 Cb -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2wkx h ALA 129 CO -0.05 0.47 0.43 1.25 0.00 0.00 0.00 179.25 181.34 2wkx h LEU 130 N 0.45 0.73 -0.02 0.00 5.85 -0.72 -3.30 115.31 118.30 2wkx h LEU 130 Ca 0.04 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2wkx h LEU 130 Cb 0.92 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 2wkx h LEU 130 CO 0.08 0.51 -0.53 0.40 -0.34 0.00 0.00 178.44 178.56 2wkx h ILE 131 N 0.86 0.01 -0.42 4.05 2.04 -1.36 0.24 117.51 122.93 2wkx h ILE 131 Ca 0.26 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.10 2wkx h ILE 131 Cb -0.02 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 2wkx h ILE 131 CO -0.09 0.00 0.16 1.55 0.00 0.00 0.00 178.15 179.78 2wkx h PRO 132 N -0.66 0.60 -0.05 2.37 0.13 -1.74 -0.80 132.00 131.85 2wkx h PRO 132 Ca 0.02 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2wkx h PRO 132 Cb 0.72 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2wkx h PRO 132 CO -0.37 0.50 0.02 1.25 -0.23 0.00 0.00 178.00 179.17 2wkx h LEU 133 N 0.60 0.07 -0.39 1.56 5.85 -1.52 -1.14 115.31 120.33 2wkx h LEU 133 Ca 0.15 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2wkx h LEU 133 Cb 0.13 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2wkx h LEU 133 CO -0.01 0.23 0.21 0.00 -0.34 0.00 0.00 178.44 178.53 2wkx h ALA 134 N 0.84 0.49 -0.86 1.25 0.00 -0.72 -1.30 119.26 118.95 2wkx h ALA 134 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wkx h ALA 134 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2wkx h ALA 134 CO -0.00 -0.14 0.55 0.87 0.00 0.00 0.00 179.25 180.53 2wkx h LYS 135 N 0.43 1.03 -0.31 0.00 1.57 -1.08 -0.23 116.57 117.98 2wkx h LYS 135 Ca 0.16 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2wkx h LYS 135 Cb 0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2wkx h LYS 135 CO -0.09 0.68 0.14 -0.44 -0.57 0.00 0.00 179.45 179.16 2wkx h ASP 136 N 1.06 0.43 0.11 0.86 3.32 -0.74 -0.67 116.42 120.79 2wkx h ASP 136 Ca 0.35 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2wkx h ASP 136 Cb 0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2wkx h ASP 136 CO -0.12 0.46 -0.05 0.40 -1.72 0.00 0.00 179.24 178.20 2wkx h ILE 137 N 0.36 0.94 -0.37 0.35 2.04 -0.93 -0.96 117.51 118.94 2wkx h ILE 137 Ca 0.11 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2wkx h ILE 137 Cb 0.16 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2wkx h ILE 137 CO -0.01 0.04 0.02 0.40 0.00 0.00 0.00 178.15 178.61 2wkx h ILE 138 N -0.23 0.75 -0.74 -0.67 2.04 -0.99 -2.41 117.51 115.26 2wkx h ILE 138 Ca -0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2wkx h ILE 138 Cb 0.18 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2wkx h ILE 138 CO 0.03 0.02 0.38 0.00 0.00 0.00 0.00 178.15 178.58 2wkx h ALA 139 N 1.31 0.95 -0.82 1.87 0.00 -1.03 0.48 119.26 122.01 2wkx h ALA 139 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wkx h ALA 139 Cb 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2wkx h ALA 139 CO -0.28 0.49 0.46 -0.09 0.00 0.00 0.00 179.25 179.82 2wkx h ARG 140 N 1.03 1.14 -0.18 0.00 2.43 -0.73 -3.20 114.38 114.87 2wkx h ARG 140 Ca 0.26 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2wkx h ARG 140 Cb 0.07 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2wkx h ARG 140 CO -0.04 0.84 0.00 0.66 -1.51 0.00 0.00 179.97 179.92 2wkx n TYR 141 N -4.40 0.23 -3.78 2.20 4.01 -0.95 -5.00 117.16 109.47 2wkx n TYR 141 Ca 0.08 -0.23 -0.25 0.00 -0.16 0.00 0.00 57.90 57.35 2wkx n TYR 141 Cb 0.09 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 2wkx n TYR 141 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2wkx n HIS 142 N 0.63 -2.06 -2.22 -0.72 8.25 0.10 -4.79 115.22 114.41 2wkx n HIS 142 Ca 0.09 0.86 -0.41 0.00 -0.26 0.00 0.00 57.72 58.00 2wkx n HIS 142 Cb 0.36 -4.25 -0.03 0.00 1.12 0.00 0.00 29.99 27.19 2wkx n HIS 142 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wkx s ILE 143 N -3.55 3.23 0.48 1.59 1.01 -0.83 -5.01 121.20 118.13 2wkx s ILE 143 Ca 0.24 1.01 -0.20 0.00 0.00 0.00 0.00 60.65 61.70 2wkx s ILE 143 Cb -0.12 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 2wkx s ILE 143 CO 0.82 0.14 1.00 -0.54 0.00 0.00 0.00 174.94 176.37 2wkx s LYS 144 N -0.02 3.93 0.35 2.79 1.02 -1.26 -4.92 119.74 121.63 2wkx s LYS 144 Ca 0.57 1.21 0.06 0.00 0.02 0.00 0.00 55.97 57.83 2wkx s LYS 144 Cb -0.36 -2.12 0.73 0.00 -0.52 0.00 0.00 37.83 35.55 2wkx s LYS 144 CO 0.38 -0.30 1.94 -1.35 -0.92 0.00 0.00 175.35 175.10 2wkx h PRO 145 N 1.51 0.76 0.00 -1.68 0.11 -1.95 -0.95 132.00 129.80 2wkx h PRO 145 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2wkx h PRO 145 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2wkx h PRO 145 CO 0.60 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.04 2wkx n GLU 146 N -4.49 0.14 -0.57 1.05 0.00 -1.26 -2.14 120.64 113.37 2wkx n GLU 146 Ca 0.12 0.40 0.10 0.00 0.00 0.00 0.00 57.16 57.77 2wkx n GLU 146 Cb 0.25 -1.78 0.35 0.00 0.00 0.00 0.00 31.44 30.26 2wkx n GLU 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2wkx n ASN 147 N -2.05 4.61 -4.46 -1.84 3.02 -0.36 -4.71 115.26 109.47 2wkx n ASN 147 Ca 0.02 -2.35 -0.43 0.00 -0.03 0.00 0.00 54.58 51.78 2wkx n ASN 147 Cb 0.20 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.72 2wkx n ASN 147 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wkx s VAL 148 N -1.67 5.18 0.14 2.41 1.01 -0.91 -0.87 120.40 125.68 2wkx s VAL 148 Ca 0.51 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2wkx s VAL 148 Cb 0.31 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2wkx s VAL 148 CO 0.27 -0.41 -0.12 0.68 0.00 0.00 0.00 175.10 175.51 2wkx s VAL 149 N 1.88 1.29 0.41 2.92 -7.23 0.09 -4.72 120.40 115.04 2wkx s VAL 149 Ca 0.08 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.13 2wkx s VAL 149 Cb -0.19 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 2wkx s VAL 149 CO 0.11 -0.56 1.05 0.00 -0.31 0.00 0.00 175.10 175.39 2wkx s ALA 150 N -2.66 3.06 0.33 1.32 0.00 -1.26 -0.64 121.76 121.91 2wkx s ALA 150 Ca 0.13 0.69 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2wkx s ALA 150 Cb -0.02 -3.27 0.81 0.00 0.00 0.00 0.00 23.12 20.64 2wkx s ALA 150 CO 0.02 -0.23 1.79 1.25 0.00 0.00 0.00 175.76 178.60 2wkx h HIS 151 N 2.39 0.96 -0.09 0.00 2.76 -0.62 -1.53 115.15 119.02 2wkx h HIS 151 Ca -0.48 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 2wkx h HIS 151 Cb 1.22 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 2wkx h HIS 151 CO 0.58 0.23 -0.01 0.00 -1.30 0.00 0.00 177.93 177.42 2wkx h ALA 152 N 1.63 1.82 -0.31 5.26 0.00 -1.50 -0.61 119.26 125.55 2wkx h ALA 152 Ca 0.56 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 2wkx h ALA 152 Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2wkx h ALA 152 CO -0.33 0.14 -0.15 -0.44 0.00 0.00 0.00 179.25 178.46 2wkx h ASP 153 N 0.12 0.54 0.26 0.00 3.32 -1.56 -1.91 116.42 117.19 2wkx h ASP 153 Ca 0.03 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2wkx h ASP 153 Cb 0.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2wkx h ASP 153 CO 0.00 0.71 -1.19 2.30 -1.72 0.00 0.00 179.24 179.35 2wkx n ILE 154 N -4.17 0.10 -3.19 0.35 -5.35 -0.75 -4.46 119.36 101.89 2wkx n ILE 154 Ca 0.00 -0.23 -0.19 0.00 -0.27 0.00 0.00 62.75 62.07 2wkx n ILE 154 Cb 0.35 0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 38.57 2wkx n ILE 154 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wkx n ALA 155 N -1.83 2.07 0.27 -1.28 0.00 -0.31 -1.28 120.51 118.15 2wkx n ALA 155 Ca 0.01 -3.42 0.12 0.00 0.00 0.00 0.00 53.44 50.15 2wkx n ALA 155 Cb 0.44 -0.92 0.75 0.00 0.00 0.00 0.00 19.45 19.72 2wkx n ALA 155 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wkx h PRO 156 N 3.08 0.00 0.00 0.00 0.13 -1.56 -1.15 132.00 132.49 2wkx h PRO 156 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2wkx h PRO 156 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2wkx h PRO 156 CO 0.50 0.07 0.00 1.96 -0.23 0.00 0.00 178.00 180.30 2wkx h GLN 157 N 0.00 0.00 0.00 0.86 1.08 -1.88 -3.38 115.11 111.79 2wkx h GLN 157 Ca -0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2wkx h GLN 157 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2wkx h GLN 157 CO 0.01 0.00 -1.31 0.54 -0.95 0.00 0.00 178.83 177.12 2wkx n ARG 158 N -2.75 2.76 -4.16 1.46 1.74 -0.65 -5.09 116.66 109.98 2wkx n ARG 158 Ca 0.03 -0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.93 2wkx n ARG 158 Cb 0.42 -1.12 -0.12 0.00 -1.02 0.00 0.00 32.46 30.62 2wkx n ARG 158 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wkx s LYS 159 N -2.15 0.78 -0.01 5.56 -0.14 -0.53 -5.04 119.74 118.21 2wkx s LYS 159 Ca -0.02 -0.94 0.08 0.00 -1.36 0.00 0.00 55.97 53.72 2wkx s LYS 159 Cb 0.02 -0.74 -0.10 0.00 -1.68 0.00 0.00 37.83 35.32 2wkx s LYS 159 CO 0.20 0.16 0.22 -0.25 -0.76 0.00 0.00 175.35 174.92 2wkx n ASP 160 N 1.26 2.23 -4.77 2.83 8.00 -1.26 -4.31 116.55 120.53 2wkx n ASP 160 Ca -0.21 -0.24 -0.37 0.00 0.71 0.00 0.00 54.79 54.68 2wkx n ASP 160 Cb 0.54 1.22 -0.02 0.00 -0.02 0.00 0.00 41.12 42.85 2wkx n ASP 160 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2wkx s ASP 161 N -2.46 6.36 0.00 -2.24 3.84 -1.26 -1.27 116.67 119.64 2wkx s ASP 161 Ca -0.01 2.31 0.17 0.00 -0.00 0.00 0.00 52.55 55.02 2wkx s ASP 161 Cb 0.05 -2.61 0.82 0.00 -1.38 0.00 0.00 42.92 39.80 2wkx s ASP 161 CO 0.31 -0.79 1.55 -0.81 -0.00 0.00 0.00 175.17 175.44 2wkx n PRO 162 N -0.22 1.32 0.00 2.11 -0.04 -1.25 -1.65 135.00 135.26 2wkx n PRO 162 Ca 0.06 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 2wkx n PRO 162 Cb 0.47 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2wkx n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wkx n GLY 163 N 0.90 -0.91 0.00 0.55 0.00 -0.39 -4.37 105.19 100.97 2wkx n GLY 163 Ca 0.13 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.60 2wkx n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wkx n PRO 164 N -0.87 0.57 0.00 1.61 -0.04 -1.26 -2.56 135.00 132.45 2wkx n PRO 164 Ca 0.00 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2wkx n PRO 164 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2wkx n PRO 164 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wkx n LEU 165 N -1.14 2.70 -4.70 1.53 4.77 -1.26 -4.84 117.00 114.05 2wkx n LEU 165 Ca 0.15 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 2wkx n LEU 165 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2wkx n LEU 165 CO 0.16 0.46 0.90 0.12 -1.33 0.00 0.00 177.39 177.71 2wkx s PHE 166 N -2.08 3.34 -1.48 -1.77 2.19 -1.06 -4.53 117.98 112.59 2wkx s PHE 166 Ca 0.25 1.28 -0.13 0.00 0.33 0.00 0.00 56.93 58.67 2wkx s PHE 166 Cb 0.19 -3.41 -0.01 0.00 -1.31 0.00 0.00 43.02 38.48 2wkx s PHE 166 CO 0.36 -1.23 2.48 -0.35 1.83 0.00 0.00 175.22 178.31 2wkx n PRO 167 N 4.44 3.09 -0.26 10.12 -0.04 -1.26 -4.75 135.00 146.34 2wkx n PRO 167 Ca 0.10 -2.41 -0.03 0.00 -0.04 0.00 0.00 63.50 61.11 2wkx n PRO 167 Cb 0.47 -3.09 0.08 0.00 -0.04 0.00 0.00 33.50 30.91 2wkx n PRO 167 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wkx h TRP 168 N 5.72 0.85 -0.49 0.54 4.06 -1.91 -2.23 115.95 122.50 2wkx h TRP 168 Ca 0.67 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.63 2wkx h TRP 168 Cb 0.50 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 2wkx h TRP 168 CO 1.61 0.50 0.26 0.37 -3.56 0.00 0.00 178.44 177.62 2wkx h GLN 169 N 0.90 0.69 -0.63 0.49 4.15 -1.90 0.55 115.11 119.35 2wkx h GLN 169 Ca 0.28 -0.09 0.09 0.00 0.77 0.00 0.00 58.65 59.70 2wkx h GLN 169 Cb -0.00 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.49 2wkx h GLN 169 CO -0.10 0.55 0.27 0.37 -1.93 0.00 0.00 178.83 178.00 2wkx h GLN 170 N 0.64 0.47 -0.64 1.69 4.15 -1.90 -1.43 115.11 118.08 2wkx h GLN 170 Ca 0.17 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 2wkx h GLN 170 Cb 0.08 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2wkx h GLN 170 CO -0.03 0.31 0.17 -0.07 -1.93 0.00 0.00 178.83 177.28 2wkx h LEU 171 N 0.48 0.97 -0.87 -2.39 3.38 -0.93 -2.90 115.31 113.05 2wkx h LEU 171 Ca 0.31 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wkx h LEU 171 Cb 0.35 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2wkx h LEU 171 CO -0.28 0.94 0.53 0.00 0.09 0.00 0.00 178.44 179.72 2wkx h ALA 172 N 1.06 1.10 0.00 1.53 0.00 -0.31 -0.05 119.26 122.60 2wkx h ALA 172 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wkx h ALA 172 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wkx h ALA 172 CO -0.00 0.56 -0.00 1.96 0.00 0.00 0.00 179.25 181.77 2wkx h GLN 173 N 1.19 0.00 -0.71 0.00 4.20 -1.10 -0.82 115.11 117.87 2wkx h GLN 173 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2wkx h GLN 173 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2wkx h GLN 173 CO -0.06 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.14 2wkx n GLN 174 N -3.56 3.03 -0.67 1.46 1.13 -0.43 -4.94 117.38 113.40 2wkx n GLN 174 Ca -0.03 -2.70 0.00 0.00 -1.94 0.00 0.00 57.00 52.33 2wkx n GLN 174 Cb 0.08 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.75 2wkx n GLN 174 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wkx n GLY 175 N 1.49 0.62 3.12 1.08 0.00 -0.31 -5.03 105.19 106.16 2wkx n GLY 175 Ca 0.25 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2wkx n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkx s ILE 176 N -2.00 2.73 0.00 -0.61 1.01 -0.16 -4.98 121.20 117.19 2wkx s ILE 176 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.02 2wkx s ILE 176 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2wkx s ILE 176 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2wkx n GLY 177 N 4.53 -0.54 3.81 6.18 0.00 -1.26 -2.22 105.19 115.70 2wkx n GLY 177 Ca -0.10 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 2wkx n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkx s ALA 178 N -2.61 3.29 -0.20 4.61 0.00 -0.99 -4.56 121.76 121.30 2wkx s ALA 178 Ca 0.00 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 2wkx s ALA 178 Cb 0.00 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.23 2wkx s ALA 178 CO 0.00 0.26 0.53 -0.46 0.00 0.00 0.00 175.76 176.09 2wkx s TRP 179 N -1.74 -0.65 0.65 0.00 -0.11 -1.26 -4.92 118.94 110.91 2wkx s TRP 179 Ca 0.50 1.49 -0.14 0.00 1.22 0.00 0.00 56.10 59.17 2wkx s TRP 179 Cb -0.15 0.27 -0.01 0.00 -1.50 0.00 0.00 33.47 32.08 2wkx s TRP 179 CO 0.20 -0.32 1.07 -1.25 -4.62 0.00 0.00 176.95 172.03 2wkx s PRO 180 N 0.66 3.01 -0.02 5.86 0.04 -1.26 -5.00 135.00 138.29 2wkx s PRO 180 Ca -0.03 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 2wkx s PRO 180 Cb -0.05 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2wkx s PRO 180 CO -0.04 -1.06 1.08 -0.51 0.04 0.00 0.00 177.00 176.51 2wkx s ASP 181 N -3.01 7.21 0.24 6.66 1.01 -1.26 -4.95 116.67 122.57 2wkx s ASP 181 Ca 0.63 1.74 -0.05 0.00 0.71 0.00 0.00 52.55 55.58 2wkx s ASP 181 Cb -0.17 -2.57 0.41 0.00 1.01 0.00 0.00 42.92 41.61 2wkx s ASP 181 CO 0.44 -0.41 1.76 0.00 0.21 0.00 0.00 175.17 177.16 2wkx h ALA 182 N 6.99 1.06 -0.24 5.23 0.00 -2.00 -1.14 119.26 129.16 2wkx h ALA 182 Ca -0.38 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2wkx h ALA 182 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2wkx h ALA 182 CO 0.81 -0.12 0.03 1.96 0.00 0.00 0.00 179.25 181.93 2wkx h GLN 183 N 0.54 0.34 0.00 0.00 4.20 -2.00 -1.97 115.11 116.23 2wkx h GLN 183 Ca 0.39 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.82 2wkx h GLN 183 Cb 0.51 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2wkx h GLN 183 CO -0.34 0.35 -0.95 0.00 -0.67 0.00 0.00 178.83 177.22 2wkx h ARG 184 N 0.34 0.45 -0.20 1.46 2.47 -1.63 -1.42 114.38 115.84 2wkx h ARG 184 Ca 0.08 -0.48 0.03 0.00 -1.26 0.00 0.00 59.98 58.36 2wkx h ARG 184 Cb 0.18 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 2wkx h ARG 184 CO 0.00 1.13 -0.01 0.28 0.56 0.00 0.00 179.97 181.94 2wkx h VAL 185 N 0.25 0.85 -0.80 2.04 2.07 -1.03 -1.19 116.25 118.44 2wkx h VAL 185 Ca -0.09 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2wkx h VAL 185 Cb 1.59 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2wkx h VAL 185 CO 0.17 0.01 0.49 -1.13 0.02 0.00 0.00 177.57 177.13 2wkx h ASN 186 N 0.05 0.78 -0.08 0.57 -1.24 -1.29 -1.05 115.58 113.33 2wkx h ASN 186 Ca 0.09 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.13 2wkx h ASN 186 Cb 0.12 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 2wkx h ASN 186 CO -0.17 0.52 -0.02 0.15 -1.29 0.00 0.00 177.43 176.62 2wkx h PHE 187 N 0.92 -0.04 0.00 0.67 3.57 -0.97 -2.92 116.94 118.17 2wkx h PHE 187 Ca 0.34 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2wkx h PHE 187 Cb 0.11 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2wkx h PHE 187 CO -0.04 -0.04 -0.13 1.88 -2.23 0.00 0.00 178.31 177.75 2wkx h TYR 188 N -0.00 0.00 -0.52 0.41 0.05 -0.84 -2.36 116.97 113.71 2wkx h TYR 188 Ca 0.04 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.91 2wkx h TYR 188 Cb 0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 2wkx h TYR 188 CO -0.14 0.13 0.35 -0.07 -1.05 0.00 0.00 178.16 177.39 2wkx h LEU 189 N 0.00 0.27 -1.34 3.88 3.38 -1.00 -3.43 115.31 117.06 2wkx h LEU 189 Ca -0.00 0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.54 2wkx h LEU 189 Cb 0.71 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.44 2wkx h LEU 189 CO 0.02 0.16 -0.78 0.00 0.09 0.00 0.00 178.44 177.93 2wkx n ALA 190 N -2.54 -1.63 -0.52 1.53 0.00 -0.89 -1.64 120.51 114.82 2wkx n ALA 190 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wkx n ALA 190 Cb 0.37 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2wkx n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkx n GLY 191 N -1.65 1.44 3.82 0.00 0.00 -1.26 -5.02 105.19 102.51 2wkx n GLY 191 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2wkx n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkx s ARG 192 N -0.19 4.26 0.47 1.61 0.52 -0.65 -5.05 118.95 119.92 2wkx s ARG 192 Ca 0.00 0.96 -0.24 0.00 -0.52 0.00 0.00 55.73 55.93 2wkx s ARG 192 Cb 0.00 -2.65 -0.07 0.00 0.52 0.00 0.00 34.95 32.75 2wkx s ARG 192 CO 0.00 0.25 1.30 0.00 0.02 0.00 0.00 175.30 176.87 2wkx s ALA 193 N -1.75 3.04 0.37 2.13 0.00 -1.26 -4.92 121.76 119.37 2wkx s ALA 193 Ca 0.50 1.21 0.12 0.00 0.00 0.00 0.00 51.96 53.79 2wkx s ALA 193 Cb -0.14 -3.50 0.90 0.00 0.00 0.00 0.00 23.12 20.38 2wkx s ALA 193 CO 0.19 -1.00 1.85 -1.35 0.00 0.00 0.00 175.76 175.46 2wkx h PRO 194 N 2.09 0.58 -0.56 0.00 0.11 -1.96 -1.92 132.00 130.34 2wkx h PRO 194 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wkx h PRO 194 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wkx h PRO 194 CO 0.60 0.39 0.00 0.72 -0.21 0.00 0.00 178.00 179.50 2wkx n HIS 195 N -4.57 0.75 -1.69 0.65 8.25 -1.26 -0.95 115.22 116.40 2wkx n HIS 195 Ca 0.19 -0.38 -0.44 0.00 -0.26 0.00 0.00 57.72 56.83 2wkx n HIS 195 Cb 0.56 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 2wkx n HIS 195 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2wkx n THR 196 N 1.13 0.08 -1.73 1.59 -1.04 -0.72 -4.73 114.28 108.86 2wkx n THR 196 Ca 0.19 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.80 2wkx n THR 196 Cb 0.48 -1.77 0.05 0.00 -1.82 0.00 0.00 70.33 67.26 2wkx n THR 196 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wkx n PRO 197 N 4.05 1.47 -4.25 -2.82 -0.02 -1.26 -0.56 135.00 131.61 2wkx n PRO 197 Ca 0.17 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 2wkx n PRO 197 Cb 0.32 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.15 2wkx n PRO 197 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wkx s VAL 198 N -1.33 1.39 -0.20 -1.45 1.01 -0.91 -4.71 120.40 114.20 2wkx s VAL 198 Ca 0.75 -1.38 -0.35 0.00 0.00 0.00 0.00 61.98 60.99 2wkx s VAL 198 Cb -0.41 -1.29 -0.12 0.00 0.00 0.00 0.00 36.38 34.56 2wkx s VAL 198 CO 0.47 -0.12 1.95 -0.67 0.00 0.00 0.00 175.10 176.73 2wkx n ASP 199 N 1.26 2.93 -0.20 3.32 -0.08 -1.26 -4.70 116.55 117.81 2wkx n ASP 199 Ca -0.20 0.81 -0.04 0.00 -1.51 0.00 0.00 54.79 53.84 2wkx n ASP 199 Cb 0.54 -1.31 0.06 0.00 2.34 0.00 0.00 41.12 42.74 2wkx n ASP 199 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2wkx h THR 200 N 5.92 1.05 -0.82 5.18 2.02 -1.99 -2.14 112.91 122.13 2wkx h THR 200 Ca -0.43 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 66.57 2wkx h THR 200 Cb 1.29 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2wkx h THR 200 CO 0.97 0.12 0.51 0.00 0.37 0.00 0.00 175.52 177.50 2wkx h ALA 201 N 1.26 1.10 -0.43 6.16 0.00 -1.99 -0.36 119.26 125.00 2wkx h ALA 201 Ca 0.24 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2wkx h ALA 201 Cb 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2wkx h ALA 201 CO -0.11 0.29 0.19 0.77 0.00 0.00 0.00 179.25 180.39 2wkx h SER 202 N 0.97 0.26 -0.36 0.00 0.02 -1.79 -1.49 113.55 111.16 2wkx h SER 202 Ca 0.34 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.28 2wkx h SER 202 Cb 0.09 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2wkx h SER 202 CO -0.14 0.19 0.05 0.25 -1.14 0.00 0.00 176.83 176.03 2wkx h LEU 203 N 0.39 0.58 -1.52 5.07 5.85 -1.07 -3.11 115.31 121.50 2wkx h LEU 203 Ca 0.19 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2wkx h LEU 203 Cb 0.13 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2wkx h LEU 203 CO -0.16 0.71 0.40 -0.07 -0.34 0.00 0.00 178.44 178.98 2wkx h LEU 204 N 0.44 0.51 -0.21 2.25 3.38 -0.68 -1.49 115.31 119.52 2wkx h LEU 204 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wkx h LEU 204 Cb 0.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2wkx h LEU 204 CO 0.01 0.33 0.13 -0.33 0.09 0.00 0.00 178.44 178.68 2wkx h GLU 205 N 0.58 0.27 -0.59 1.13 5.08 -1.22 -0.28 114.58 119.56 2wkx h GLU 205 Ca 0.26 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2wkx h GLU 205 Cb 0.28 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2wkx h GLU 205 CO -0.08 0.19 0.34 -0.07 -1.00 0.00 0.00 179.01 178.39 2wkx h LEU 206 N 0.27 0.73 -0.71 1.33 3.38 -1.28 -1.48 115.31 117.54 2wkx h LEU 206 Ca 0.07 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2wkx h LEU 206 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2wkx h LEU 206 CO -0.02 0.60 0.02 -0.07 0.09 0.00 0.00 178.44 179.06 2wkx h LEU 207 N 0.80 0.98 -0.40 1.67 3.38 -1.10 0.19 115.31 120.83 2wkx h LEU 207 Ca 0.21 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2wkx h LEU 207 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2wkx h LEU 207 CO -0.04 1.02 0.17 0.00 0.09 0.00 0.00 178.44 179.68 2wkx h ALA 208 N 1.08 0.48 -0.27 1.53 0.00 -0.74 -0.38 119.26 120.97 2wkx h ALA 208 Ca 0.17 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2wkx h ALA 208 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wkx h ALA 208 CO 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 179.25 178.77 2wkx h ARG 209 N 0.34 0.55 -0.15 0.00 2.47 -0.80 -2.69 114.38 114.10 2wkx h ARG 209 Ca 0.18 -0.23 -0.09 0.00 -1.26 0.00 0.00 59.98 58.58 2wkx h ARG 209 Cb 0.13 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2wkx h ARG 209 CO -0.16 0.78 -0.32 -0.92 0.56 0.00 0.00 179.97 179.92 2wkx h TYR 210 N 0.48 0.33 0.00 3.04 3.20 -0.70 -3.42 116.97 119.90 2wkx h TYR 210 Ca 0.06 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2wkx h TYR 210 Cb 0.74 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2wkx h TYR 210 CO 0.03 0.58 0.00 0.41 -1.64 0.00 0.00 178.16 177.54 2wkx n GLY 211 N -0.37 -0.18 3.77 1.82 0.00 -0.42 -4.71 105.19 105.10 2wkx n GLY 211 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2wkx n GLY 211 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wkx s TYR 212 N 0.00 2.93 -0.65 1.61 2.02 -0.28 -1.46 117.35 121.51 2wkx s TYR 212 Ca 0.00 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 57.97 2wkx s TYR 212 Cb 0.00 -3.41 -0.01 0.00 -0.40 0.00 0.00 41.96 38.14 2wkx s TYR 212 CO 0.00 -1.50 1.70 0.34 -1.57 0.00 0.00 175.55 174.53 2wkx s ASP 213 N -1.23 5.51 -0.13 2.29 2.15 -1.26 -4.13 116.67 119.87 2wkx s ASP 213 Ca 0.61 0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.72 2wkx s ASP 213 Cb -0.30 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.79 2wkx s ASP 213 CO 0.37 -2.24 -0.22 -0.69 -0.17 0.00 0.00 175.17 172.23 2wkx s VAL 214 N 8.18 2.01 0.25 1.11 1.01 -1.26 -5.00 120.40 126.70 2wkx s VAL 214 Ca 0.58 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.72 2wkx s VAL 214 Cb -0.11 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2wkx s VAL 214 CO 0.19 0.54 -0.15 -0.54 0.00 0.00 0.00 175.10 175.14 2wkx s LYS 215 N 0.70 1.82 0.69 2.72 1.02 -1.26 -5.02 119.74 120.41 2wkx s LYS 215 Ca -0.10 -1.61 -0.15 0.00 0.02 0.00 0.00 55.97 54.13 2wkx s LYS 215 Cb -0.16 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2wkx s LYS 215 CO 0.01 0.36 1.15 -1.25 -0.92 0.00 0.00 175.35 174.70 2wkx s PRO 216 N -3.34 2.49 -1.53 -1.68 0.04 -1.26 -3.82 135.00 125.90 2wkx s PRO 216 Ca 0.28 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2wkx s PRO 216 Cb -0.06 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2wkx s PRO 216 CO 0.15 -1.52 0.65 -0.25 0.04 0.00 0.00 177.00 176.07 2wkx n ASP 217 N -2.56 -6.13 -4.77 6.66 8.00 -1.26 -4.98 116.55 111.52 2wkx n ASP 217 Ca 0.12 -0.30 -0.38 0.00 0.71 0.00 0.00 54.79 54.94 2wkx n ASP 217 Cb 0.51 -4.92 -0.02 0.00 -0.02 0.00 0.00 41.12 36.67 2wkx n ASP 217 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wkx s MET 218 N -5.73 4.01 0.77 -1.24 -1.94 -1.25 -5.03 119.30 108.89 2wkx s MET 218 Ca 0.32 1.74 -0.11 0.00 -1.71 0.00 0.00 55.69 55.94 2wkx s MET 218 Cb -0.14 -2.58 0.05 0.00 2.01 0.00 0.00 34.83 34.17 2wkx s MET 218 CO 0.40 -0.33 1.08 0.95 -0.01 0.00 0.00 175.02 177.12 2wkx s THR 219 N -1.50 3.40 0.27 2.05 -4.23 -1.26 -4.81 115.64 109.56 2wkx s THR 219 Ca 0.59 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2wkx s THR 219 Cb -0.28 -3.03 0.25 0.00 1.34 0.00 0.00 72.50 70.79 2wkx s THR 219 CO 0.35 -0.60 1.74 -0.65 -0.54 0.00 0.00 174.62 174.92 2wkx h PRO 220 N -1.07 0.51 -0.56 3.99 0.11 -1.99 -0.61 132.00 132.38 2wkx h PRO 220 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2wkx h PRO 220 Cb 1.24 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2wkx h PRO 220 CO 0.54 0.34 0.29 -0.09 -0.21 0.00 0.00 178.00 178.86 2wkx h ARG 221 N 0.53 0.79 -0.73 1.05 2.43 -1.99 -0.38 114.38 116.08 2wkx h ARG 221 Ca 0.49 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2wkx h ARG 221 Cb 0.78 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2wkx h ARG 221 CO -0.42 0.63 0.22 0.93 -1.51 0.00 0.00 179.97 179.81 2wkx h GLU 222 N 0.75 1.14 -0.19 0.20 5.08 -1.71 -0.60 114.58 119.25 2wkx h GLU 222 Ca 0.19 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wkx h GLU 222 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2wkx h GLU 222 CO -0.03 0.98 0.12 1.96 -1.00 0.00 0.00 179.01 181.03 2wkx h GLN 223 N 1.09 0.25 -1.00 2.33 4.20 -0.94 -2.74 115.11 118.30 2wkx h GLN 223 Ca 0.23 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.98 2wkx h GLN 223 Cb 0.32 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2wkx h GLN 223 CO -0.01 0.20 0.65 0.00 -0.67 0.00 0.00 178.83 179.00 2wkx h ARG 224 N 0.23 1.17 -0.68 1.46 3.08 -0.72 -2.58 114.38 116.34 2wkx h ARG 224 Ca 0.07 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2wkx h ARG 224 Cb 0.01 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 2wkx h ARG 224 CO -0.01 0.77 0.23 0.00 -1.07 0.00 0.00 179.97 179.89 2wkx h ARG 225 N 1.20 1.05 -0.19 0.04 2.47 -0.89 0.60 114.38 118.66 2wkx h ARG 225 Ca 0.42 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 2wkx h ARG 225 Cb 0.10 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 2wkx h ARG 225 CO -0.15 0.90 0.03 0.28 0.56 0.00 0.00 179.97 181.59 2wkx h VAL 226 N 0.98 1.22 -0.52 2.04 2.07 -1.27 -0.69 116.25 120.09 2wkx h VAL 226 Ca 0.22 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2wkx h VAL 226 Cb 0.28 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2wkx h VAL 226 CO -0.01 0.22 0.25 0.40 0.02 0.00 0.00 177.57 178.46 2wkx h ILE 227 N 0.11 1.19 -0.51 4.57 2.04 -1.33 -1.89 117.51 121.71 2wkx h ILE 227 Ca 0.06 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2wkx h ILE 227 Cb 0.31 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2wkx h ILE 227 CO 0.00 0.22 0.28 -0.03 0.00 0.00 0.00 178.15 178.62 2wkx h MET 228 N 0.69 0.53 -0.26 2.37 4.05 -0.75 -0.12 114.93 121.44 2wkx h MET 228 Ca 0.18 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2wkx h MET 228 Cb 0.11 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2wkx h MET 228 CO -0.02 0.35 0.16 0.00 0.23 0.00 0.00 176.91 177.63 2wkx h ALA 229 N 1.25 0.33 -0.38 0.39 0.00 -0.86 0.20 119.26 120.19 2wkx h ALA 229 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2wkx h ALA 229 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2wkx h ALA 229 CO -0.12 -0.23 0.14 0.35 0.00 0.00 0.00 179.25 179.39 2wkx h PHE 230 N 0.32 0.24 -0.71 0.00 3.57 -1.04 -2.63 116.94 116.69 2wkx h PHE 230 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2wkx h PHE 230 Cb -0.01 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2wkx h PHE 230 CO -0.08 0.10 0.25 1.96 -2.23 0.00 0.00 178.31 178.32 2wkx h GLN 231 N 0.29 1.08 -0.71 1.11 4.20 -0.64 0.44 115.11 120.88 2wkx h GLN 231 Ca 0.17 -0.22 0.07 0.00 0.06 0.00 0.00 58.65 58.73 2wkx h GLN 231 Cb 0.14 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2wkx h GLN 231 CO -0.17 0.91 0.47 0.52 -0.67 0.00 0.00 178.83 179.89 2wkx h MET 232 N 1.03 0.71 0.00 1.46 2.86 -0.28 0.23 114.93 120.94 2wkx h MET 232 Ca 0.23 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2wkx h MET 232 Cb 0.26 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2wkx h MET 232 CO -0.01 0.47 -0.01 1.25 1.06 0.00 0.00 176.91 179.67 2wkx h HIS 233 N 0.73 0.00 0.00 -0.22 -0.00 -1.09 -3.38 115.15 111.19 2wkx h HIS 233 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 2wkx h HIS 233 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2wkx h HIS 233 CO -0.00 0.84 -0.74 1.19 -0.00 0.00 0.00 177.93 179.21 2wkx n PHE 234 N -4.64 0.00 -2.94 5.26 3.72 0.10 -4.69 117.46 114.28 2wkx n PHE 234 Ca -0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.18 2wkx n PHE 234 Cb 0.40 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 38.92 2wkx n PHE 234 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2wkx n ARG 235 N -1.39 1.04 0.04 -1.08 0.00 0.69 -5.01 116.66 110.95 2wkx n ARG 235 Ca 0.02 -2.91 0.07 0.00 -0.00 0.00 0.00 57.85 55.03 2wkx n ARG 235 Cb 0.21 -1.32 0.33 0.00 0.00 0.00 0.00 32.46 31.68 2wkx n ARG 235 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2wkx n PRO 236 N 0.15 0.05 0.27 -0.14 -0.04 -0.56 -2.28 135.00 132.45 2wkx n PRO 236 Ca 0.15 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 64.11 2wkx n PRO 236 Cb 0.72 -1.61 0.73 0.00 -0.04 0.00 0.00 33.50 33.30 2wkx n PRO 236 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wkx h THR 237 N 0.00 0.20 -1.81 0.52 1.35 -1.91 -3.41 112.91 107.85 2wkx h THR 237 Ca 0.00 -0.55 -0.14 0.00 -0.55 0.00 0.00 66.41 65.18 2wkx h THR 237 Cb 0.23 1.45 -0.29 0.00 -1.73 0.00 0.00 68.15 67.82 2wkx h THR 237 CO 0.00 0.06 -0.47 -0.22 -0.25 0.00 0.00 175.52 174.64 2wkx s LEU 238 N -6.47 -0.71 -0.39 3.87 2.96 -0.97 -5.04 118.68 111.93 2wkx s LEU 238 Ca -0.01 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 2wkx s LEU 238 Cb 0.10 1.19 0.44 0.00 0.50 0.00 0.00 46.19 48.42 2wkx s LEU 238 CO 0.55 -0.30 1.12 0.00 -1.32 0.00 0.00 176.35 176.39 2wkx n TYR 239 N 5.37 3.04 1.32 5.38 0.18 -1.26 -4.81 117.16 126.38 2wkx n TYR 239 Ca -0.03 -2.84 0.13 0.00 1.88 0.00 0.00 57.90 57.05 2wkx n TYR 239 Cb 0.50 -0.17 0.70 0.00 -0.38 0.00 0.00 39.34 39.98 2wkx n TYR 239 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2wkx n ASN 240 N -0.52 0.00 0.00 9.48 6.94 -1.26 -4.72 115.26 125.18 2wkx n ASN 240 Ca 0.38 -0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 2wkx n ASN 240 Cb 0.76 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 2wkx n ASN 240 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wkx n GLY 241 N 1.00 0.64 3.74 4.83 0.00 -1.26 -4.89 105.19 109.24 2wkx n GLY 241 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2wkx n GLY 241 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wkx s GLU 242 N -0.07 4.32 -0.08 1.61 0.41 -1.26 -4.50 118.70 119.13 2wkx s GLU 242 Ca 0.00 0.61 -0.30 0.00 -0.41 0.00 0.00 54.97 54.87 2wkx s GLU 242 Cb 0.00 -3.39 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 2wkx s GLU 242 CO 0.00 0.25 1.39 0.00 -0.49 0.00 0.00 175.26 176.41 2wkx s ALA 243 N 0.27 3.61 0.34 5.21 0.00 -1.26 -4.99 121.76 124.94 2wkx s ALA 243 Ca 0.29 0.72 0.04 0.00 0.00 0.00 0.00 51.96 53.01 2wkx s ALA 243 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 2wkx s ALA 243 CO 0.14 -1.11 0.16 0.16 0.00 0.00 0.00 175.76 175.11 2wkx s ASP 244 N 2.23 1.98 0.18 0.00 1.47 -1.26 -2.13 116.67 119.13 2wkx s ASP 244 Ca 0.62 -1.61 -0.10 0.00 1.18 0.00 0.00 52.55 52.64 2wkx s ASP 244 Cb -0.28 0.43 0.07 0.00 -0.34 0.00 0.00 42.92 42.80 2wkx s ASP 244 CO 0.22 -0.91 1.67 0.00 0.68 0.00 0.00 175.17 176.83 2wkx h ALA 245 N 2.07 0.82 -0.47 2.11 0.00 -0.62 -1.20 119.26 121.96 2wkx h ALA 245 Ca -0.33 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2wkx h ALA 245 Cb 1.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2wkx h ALA 245 CO 0.52 0.57 0.10 1.49 0.00 0.00 0.00 179.25 181.92 2wkx h GLU 246 N 0.92 0.77 -0.51 0.00 4.81 -1.31 0.48 114.58 119.75 2wkx h GLU 246 Ca 0.19 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wkx h GLU 246 Cb 0.42 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2wkx h GLU 246 CO 0.01 0.77 0.31 1.15 -0.73 0.00 0.00 179.01 180.51 2wkx h THR 247 N 0.64 1.16 -0.20 0.32 2.02 -1.74 -1.00 112.91 114.12 2wkx h THR 247 Ca 0.15 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2wkx h THR 247 Cb 0.36 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2wkx h THR 247 CO 0.01 0.16 0.11 -0.61 0.37 0.00 0.00 175.52 175.56 2wkx h GLN 248 N 0.68 0.23 -0.89 6.66 4.15 -1.11 -2.18 115.11 122.65 2wkx h GLN 248 Ca 0.18 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.60 2wkx h GLN 248 Cb -0.01 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 2wkx h GLN 248 CO -0.03 0.15 0.59 0.00 -1.93 0.00 0.00 178.83 177.60 2wkx h ALA 249 N 1.09 1.13 -0.18 3.38 0.00 -0.56 0.52 119.26 124.64 2wkx h ALA 249 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wkx h ALA 249 Cb -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2wkx h ALA 249 CO -0.04 0.55 0.10 0.82 0.00 0.00 0.00 179.25 180.68 2wkx h ILE 250 N 1.22 1.11 -0.60 0.00 2.04 -1.10 -0.01 117.51 120.16 2wkx h ILE 250 Ca 0.33 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2wkx h ILE 250 Cb -0.13 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2wkx h ILE 250 CO -0.07 0.10 0.34 0.00 0.00 0.00 0.00 178.15 178.52 2wkx h ALA 251 N 0.98 0.79 -0.36 1.87 0.00 -0.92 0.82 119.26 122.45 2wkx h ALA 251 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wkx h ALA 251 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wkx h ALA 251 CO -0.01 0.02 0.18 0.93 0.00 0.00 0.00 179.25 180.37 2wkx h GLU 252 N 0.64 0.52 -0.62 0.00 5.08 -0.70 -0.72 114.58 118.79 2wkx h GLU 252 Ca 0.26 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2wkx h GLU 252 Cb 0.13 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2wkx h GLU 252 CO -0.15 0.47 0.04 0.00 -1.00 0.00 0.00 179.01 178.36 2wkx h ALA 253 N 1.03 0.90 -0.16 3.43 0.00 -0.68 -1.40 119.26 122.38 2wkx h ALA 253 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wkx h ALA 253 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2wkx h ALA 253 CO -0.02 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 179.92 2wkx h LEU 254 N 0.98 0.19 -0.80 0.00 3.38 -0.64 -2.18 115.31 116.23 2wkx h LEU 254 Ca 0.18 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2wkx h LEU 254 Cb 0.50 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2wkx h LEU 254 CO 0.02 0.16 0.52 -0.07 0.09 0.00 0.00 178.44 179.17 2wkx h LEU 255 N 0.19 0.92 -0.78 1.67 3.38 -0.98 0.15 115.31 119.88 2wkx h LEU 255 Ca 0.06 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wkx h LEU 255 Cb 0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2wkx h LEU 255 CO -0.01 0.68 0.51 -0.08 0.09 0.00 0.00 178.44 179.63 2wkx h GLU 256 N 1.09 1.01 0.24 1.13 4.81 -1.18 -0.27 114.58 121.40 2wkx h GLU 256 Ca 0.29 -0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 59.13 2wkx h GLU 256 Cb -0.11 -0.23 0.03 0.00 0.63 0.00 0.00 28.75 29.07 2wkx h GLU 256 CO -0.06 0.67 -1.49 -0.22 -0.73 0.00 0.00 179.01 177.17 2wkx h LYS 257 N 1.04 0.50 0.00 1.92 3.64 -0.92 -3.40 116.57 119.34 2wkx h LYS 257 Ca 0.29 -0.86 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2wkx h LYS 257 Cb -0.10 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wkx h LYS 257 CO -0.07 1.41 -0.36 0.66 -2.27 0.00 0.00 179.45 178.81 2wkx n TYR 258 N -3.68 0.00 -4.76 1.91 4.01 0.49 -5.11 117.16 110.02 2wkx n TYR 258 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2wkx n TYR 258 Cb 1.10 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 2wkx n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wkx n GLY 259 N 1.24 0.56 0.00 2.72 0.00 -0.12 -4.65 105.19 104.94 2wkx n GLY 259 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2wkx n GLY 259 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wkx n GLN 260 N 0.00 3.75 0.00 1.61 6.02 -1.26 -4.78 117.38 122.72 2wkx n GLN 260 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wkx n GLN 260 Cb 0.00 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 30.63 2wkx n GLN 260 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58