#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wuu s HIS 12 N 0.00 3.05 0.48 0.00 0.09 -1.26 -4.98 115.29 112.67 2wuu s HIS 12 Ca 0.00 -3.09 0.13 0.00 -0.00 0.00 0.00 55.06 52.10 2wuu s HIS 12 Cb 0.00 -2.65 1.11 0.00 -0.00 0.00 0.00 32.58 31.03 2wuu s HIS 12 CO 0.00 -0.72 2.09 0.00 -0.00 0.00 0.00 174.74 176.11 2wuu h ALA 13 N 6.35 1.85 0.00 -1.40 0.00 -2.07 -0.74 119.26 123.26 2wuu h ALA 13 Ca -0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 2wuu h ALA 13 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2wuu h ALA 13 CO 0.66 0.12 -1.28 0.34 0.00 0.00 0.00 179.25 179.09 2wuu n PHE 14 N -4.47 0.82 0.25 0.00 7.35 -1.26 -4.55 117.46 115.60 2wuu n PHE 14 Ca -0.02 0.36 0.12 0.00 -0.76 0.00 0.00 57.45 57.15 2wuu n PHE 14 Cb 0.12 -1.00 0.65 0.00 0.35 0.00 0.00 39.48 39.60 2wuu n PHE 14 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2wuu h TRP 15 N -1.00 0.00 0.00 -5.13 4.06 -1.95 -0.83 115.95 111.10 2wuu h TRP 15 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 2wuu h TRP 15 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2wuu h TRP 15 CO -0.01 0.15 0.00 -1.13 -3.56 0.00 0.00 178.44 173.89 2wuu n SER 16 N -3.53 0.38 -0.71 -3.49 3.41 -0.29 -2.37 113.62 107.03 2wuu n SER 16 Ca -0.01 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2wuu n SER 16 Cb 0.30 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.59 2wuu n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wuu n THR 17 N -1.97 0.00 -4.19 6.66 -2.24 -0.32 -5.00 114.28 107.22 2wuu n THR 17 Ca 0.01 -0.39 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 2wuu n THR 17 Cb 0.10 1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 2wuu n THR 17 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wuu s GLN 18 N -2.15 2.58 -1.44 -0.78 -1.52 -1.00 -5.03 119.66 110.33 2wuu s GLN 18 Ca 0.22 -1.27 -0.12 0.00 -1.95 0.00 0.00 55.36 52.24 2wuu s GLN 18 Cb 0.18 -2.34 0.05 0.00 -0.22 0.00 0.00 33.01 30.68 2wuu s GLN 18 CO 0.41 0.35 2.25 -0.35 -0.25 0.00 0.00 175.29 177.71 2wuu n PRO 19 N -1.05 3.16 -4.20 2.91 -0.04 -1.26 -4.84 135.00 129.68 2wuu n PRO 19 Ca -0.07 -2.77 -0.14 0.00 -0.04 0.00 0.00 63.50 60.49 2wuu n PRO 19 Cb 0.59 -3.14 -0.10 0.00 -0.04 0.00 0.00 33.50 30.81 2wuu n PRO 19 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wuu s VAL 20 N 2.36 0.97 0.45 0.52 -7.23 -1.26 -0.59 120.40 115.62 2wuu s VAL 20 Ca 0.48 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.59 2wuu s VAL 20 Cb 0.14 -1.57 -0.08 0.00 0.56 0.00 0.00 36.38 35.43 2wuu s VAL 20 CO -0.07 -0.67 1.26 -2.16 -0.31 0.00 0.00 175.10 173.15 2wuu s PRO 21 N -3.27 3.76 0.06 4.82 0.04 -1.26 -4.91 135.00 134.24 2wuu s PRO 21 Ca 0.10 2.03 0.22 0.00 0.04 0.00 0.00 61.00 63.39 2wuu s PRO 21 Cb 0.00 -2.56 -0.19 0.00 0.04 0.00 0.00 34.50 31.80 2wuu s PRO 21 CO -0.01 -0.62 0.71 1.04 0.04 0.00 0.00 177.00 178.16 2wuu n GLN 22 N -0.27 0.64 -4.08 4.56 1.13 -1.26 -3.52 117.38 114.58 2wuu n GLN 22 Ca 0.06 -0.04 -0.09 0.00 -1.94 0.00 0.00 57.00 55.00 2wuu n GLN 22 Cb 0.45 -1.66 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 2wuu n GLN 22 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2wuu s THR 23 N -3.38 0.32 0.25 5.09 -4.23 -1.26 -4.92 115.64 107.51 2wuu s THR 23 Ca -0.05 -1.59 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 2wuu s THR 23 Cb 0.12 -1.21 0.26 0.00 1.34 0.00 0.00 72.50 73.00 2wuu s THR 23 CO 0.85 -0.82 1.91 -0.08 -0.54 0.00 0.00 174.62 175.95 2wuu h GLU 24 N 3.54 1.26 -0.71 3.99 4.57 -1.97 -2.42 114.58 122.84 2wuu h GLU 24 Ca -0.34 -0.08 0.09 0.00 -1.18 0.00 0.00 59.36 57.86 2wuu h GLU 24 Cb 1.16 -0.29 -0.07 0.00 -0.16 0.00 0.00 28.75 29.40 2wuu h GLU 24 CO 0.58 0.84 0.35 -0.44 -1.18 0.00 0.00 179.01 179.16 2wuu h ASP 25 N 1.30 0.45 -0.50 1.04 3.32 -1.99 -1.91 116.42 118.13 2wuu h ASP 25 Ca 0.39 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.60 2wuu h ASP 25 Cb -0.06 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.38 2wuu h ASP 25 CO -0.11 0.26 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.43 2wuu h GLU 26 N 0.59 -0.03 0.00 3.56 4.81 -1.84 -1.39 114.58 120.27 2wuu h GLU 26 Ca 0.35 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2wuu h GLU 26 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2wuu h GLU 26 CO -0.27 -0.02 -0.22 1.79 -0.73 0.00 0.00 179.01 179.55 2wuu h THR 27 N -0.03 0.78 0.00 0.32 1.35 -1.30 -2.29 112.91 111.73 2wuu h THR 27 Ca 0.24 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2wuu h THR 27 Cb 0.40 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2wuu h THR 27 CO -0.54 0.22 0.00 -0.62 -0.25 0.00 0.00 175.52 174.33 2wuu n GLU 28 N -3.73 0.09 0.00 4.72 1.02 -0.58 -2.60 120.64 119.56 2wuu n GLU 28 Ca -0.01 0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 2wuu n GLU 28 Cb 0.33 -1.61 0.04 0.00 -0.02 0.00 0.00 31.44 30.17 2wuu n GLU 28 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2wuu n LYS 29 N -1.78 0.73 -2.52 3.49 2.85 -0.86 -4.97 118.16 115.11 2wuu n LYS 29 Ca 0.06 -1.04 -0.42 0.00 -1.05 0.00 0.00 58.31 55.86 2wuu n LYS 29 Cb 0.35 -1.18 -0.03 0.00 -0.65 0.00 0.00 35.03 33.51 2wuu n LYS 29 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2wuu s ILE 30 N -0.96 4.31 0.00 0.58 1.01 -0.89 -4.94 121.20 120.31 2wuu s ILE 30 Ca 0.12 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.43 2wuu s ILE 30 Cb 0.09 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2wuu s ILE 30 CO 0.15 0.13 0.00 0.52 0.00 0.00 0.00 174.94 175.74 2wuu n VAL 31 N 3.94 0.00 -3.75 2.92 0.31 -1.26 -4.36 118.33 116.13 2wuu n VAL 31 Ca 0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.10 2wuu n VAL 31 Cb 0.48 -0.63 -0.04 0.00 -0.91 0.00 0.00 33.84 32.73 2wuu n VAL 31 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2wuu s PHE 32 N 0.00 3.49 0.42 3.52 0.08 -1.26 -4.35 117.98 119.88 2wuu s PHE 32 Ca 0.00 0.46 -0.25 0.00 0.12 0.00 0.00 56.93 57.26 2wuu s PHE 32 Cb 0.00 -1.93 -0.08 0.00 -0.57 0.00 0.00 43.02 40.44 2wuu s PHE 32 CO 0.00 0.48 1.23 0.00 -0.10 0.00 0.00 175.22 176.83 2wuu s ALA 33 N -1.62 3.14 0.00 5.36 0.00 -1.26 -4.58 121.76 122.80 2wuu s ALA 33 Ca 0.39 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2wuu s ALA 33 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2wuu s ALA 33 CO 0.26 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2wuu n GLY 34 N 0.63 -0.54 3.73 0.00 0.00 -1.06 -4.78 105.19 103.16 2wuu n GLY 34 Ca 0.05 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2wuu n GLY 34 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wuu s PRO 35 N -2.00 2.01 -0.22 1.61 0.02 -1.26 -0.01 135.00 135.15 2wuu s PRO 35 Ca 0.00 1.53 -0.17 0.00 0.02 0.00 0.00 61.00 62.38 2wuu s PRO 35 Cb 0.00 -1.84 -0.18 0.00 0.02 0.00 0.00 34.50 32.50 2wuu s PRO 35 CO 0.00 -1.89 0.07 -1.33 -0.33 0.00 0.00 177.00 173.53 2wuu n MET 36 N -3.18 0.60 -2.57 5.54 2.81 -1.22 -4.59 117.12 114.51 2wuu n MET 36 Ca 0.12 0.45 -0.36 0.00 -1.81 0.00 0.00 57.70 56.09 2wuu n MET 36 Cb 0.51 -1.67 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2wuu n MET 36 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wuu s ASP 37 N -7.02 6.78 0.79 7.83 1.01 -1.26 -5.04 116.67 119.75 2wuu s ASP 37 Ca -0.31 2.00 -0.13 0.00 0.71 0.00 0.00 52.55 54.82 2wuu s ASP 37 Cb 0.08 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.51 2wuu s ASP 37 CO 0.59 -0.48 1.19 -1.61 0.21 0.00 0.00 175.17 175.07 2wuu s GLU 38 N -2.55 1.78 0.50 8.23 0.41 -1.26 -4.93 118.70 120.88 2wuu s GLU 38 Ca 0.58 1.70 -0.22 0.00 -0.41 0.00 0.00 54.97 56.62 2wuu s GLU 38 Cb -0.21 -1.80 -0.06 0.00 -1.78 0.00 0.00 34.13 30.28 2wuu s GLU 38 CO 0.26 -2.09 1.21 -2.14 -0.49 0.00 0.00 175.26 172.01 2wuu s PRO 39 N -4.15 3.51 0.28 0.39 0.02 -1.26 -5.04 135.00 128.74 2wuu s PRO 39 Ca 0.72 1.88 0.07 0.00 0.02 0.00 0.00 61.00 63.69 2wuu s PRO 39 Cb -0.27 -2.30 -0.06 0.00 0.02 0.00 0.00 34.50 31.89 2wuu s PRO 39 CO 0.50 -0.79 -0.08 0.15 -0.33 0.00 0.00 177.00 176.45 2wuu s LYS 40 N -2.85 1.56 0.28 5.54 1.02 -1.26 -5.17 119.74 118.87 2wuu s LYS 40 Ca 0.67 -1.78 0.07 0.00 0.02 0.00 0.00 55.97 54.96 2wuu s LYS 40 Cb -0.31 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 2wuu s LYS 40 CO 0.37 0.07 0.22 0.95 -0.92 0.00 0.00 175.35 176.05 2wuu s THR 41 N -2.95 4.07 0.27 2.17 -4.23 -1.26 -5.01 115.64 108.69 2wuu s THR 41 Ca 0.29 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2wuu s THR 41 Cb 0.03 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.84 2wuu s THR 41 CO 0.12 -0.29 1.87 0.58 -0.54 0.00 0.00 174.62 176.36 2wuu h VAL 42 N 1.42 1.04 0.00 2.29 2.07 -1.93 -1.76 116.25 119.37 2wuu h VAL 42 Ca -0.47 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2wuu h VAL 42 Cb 1.24 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2wuu h VAL 42 CO 0.60 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 178.34 2wuu h ALA 43 N 1.48 1.16 0.00 1.67 0.00 -1.95 -0.20 119.26 121.42 2wuu h ALA 43 Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2wuu h ALA 43 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wuu h ALA 43 CO -0.20 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.87 2wuu n ASP 44 N -3.38 0.66 -4.70 0.00 8.00 -0.66 -4.72 116.55 111.75 2wuu n ASP 44 Ca -0.02 0.64 -0.35 0.00 0.71 0.00 0.00 54.79 55.77 2wuu n ASP 44 Cb 0.19 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.42 2wuu n ASP 44 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wuu s ILE 45 N -3.25 5.21 0.52 0.53 -1.09 -0.09 -5.02 121.20 118.02 2wuu s ILE 45 Ca 0.06 0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 58.40 2wuu s ILE 45 Cb 0.10 -3.37 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 2wuu s ILE 45 CO 0.43 0.44 1.10 -2.16 -1.23 0.00 0.00 174.94 173.53 2wuu s PRO 46 N 0.38 3.52 0.13 2.79 0.04 -1.26 -4.95 135.00 135.65 2wuu s PRO 46 Ca 0.06 1.53 0.24 0.00 0.04 0.00 0.00 61.00 62.87 2wuu s PRO 46 Cb -0.11 -2.05 0.25 0.00 0.04 0.00 0.00 34.50 32.63 2wuu s PRO 46 CO -0.01 -0.69 1.25 0.93 0.04 0.00 0.00 177.00 178.51 2wuu h GLU 47 N 1.35 0.00 -6.51 4.56 5.08 -1.97 -3.46 114.58 113.63 2wuu h GLU 47 Ca -0.50 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.33 2wuu h GLU 47 Cb 1.25 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.51 2wuu h GLU 47 CO 0.58 0.00 0.68 -2.00 -1.00 0.00 0.00 179.01 177.27 2wuu s GLU 48 N -3.21 4.35 0.82 2.33 2.56 -1.26 -4.98 118.70 119.32 2wuu s GLU 48 Ca 0.05 1.97 -0.13 0.00 0.00 0.00 0.00 54.97 56.86 2wuu s GLU 48 Cb 0.13 -3.31 0.08 0.00 2.00 0.00 0.00 34.13 33.03 2wuu s GLU 48 CO 0.74 -0.39 1.14 -2.30 -0.56 0.00 0.00 175.26 173.89 2wuu n PRO 49 N 4.06 0.09 -1.88 4.30 -0.02 -1.26 -4.92 135.00 135.37 2wuu n PRO 49 Ca 0.11 0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2wuu n PRO 49 Cb 0.44 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2wuu n PRO 49 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2wuu s TYR 50 N -2.18 2.56 0.38 6.00 5.04 -1.26 -4.90 117.35 122.99 2wuu s TYR 50 Ca 0.72 1.32 -0.27 0.00 -2.44 0.00 0.00 57.07 56.39 2wuu s TYR 50 Cb -0.28 -3.83 -0.10 0.00 0.35 0.00 0.00 41.96 38.10 2wuu s TYR 50 CO 0.52 -2.65 1.40 -2.14 -1.34 0.00 0.00 175.55 171.34 2wuu s PRO 51 N -2.43 4.06 0.05 4.97 0.02 -1.26 -5.02 135.00 135.39 2wuu s PRO 51 Ca 0.61 2.38 -0.00 0.00 0.02 0.00 0.00 61.00 64.00 2wuu s PRO 51 Cb -0.41 -2.89 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 2wuu s PRO 51 CO 0.53 -0.49 -0.04 -1.50 -0.33 0.00 0.00 177.00 175.17 2wuu s ILE 52 N -1.17 0.29 0.64 2.83 2.07 -1.26 -5.07 121.20 119.53 2wuu s ILE 52 Ca 0.54 -1.54 -0.18 0.00 -1.41 0.00 0.00 60.65 58.06 2wuu s ILE 52 Cb -0.43 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.00 2wuu s ILE 52 CO 0.57 -0.80 1.29 0.00 -1.91 0.00 0.00 174.94 174.08 2wuu n ALA 53 N 0.58 1.16 0.30 1.50 0.00 -1.26 -4.86 120.51 117.93 2wuu n ALA 53 Ca -0.17 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.44 2wuu n ALA 53 Cb 0.59 -2.32 0.93 0.00 0.00 0.00 0.00 19.45 18.65 2wuu n ALA 53 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wuu h SER 54 N 0.62 0.00 0.61 0.00 0.02 -2.03 -0.61 113.55 112.16 2wuu h SER 54 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2wuu h SER 54 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2wuu h SER 54 CO 0.53 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.58 2wuu n THR 55 N -3.80 0.90 -4.36 -2.27 -2.24 -1.26 -4.81 114.28 96.44 2wuu n THR 55 Ca -0.03 0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.80 2wuu n THR 55 Cb 0.08 -1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 67.05 2wuu n THR 55 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2wuu s PHE 56 N -3.27 2.54 0.02 4.78 0.08 -0.24 -0.70 117.98 121.19 2wuu s PHE 56 Ca 0.04 -0.26 -0.00 0.00 0.12 0.00 0.00 56.93 56.83 2wuu s PHE 56 Cb 0.09 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2wuu s PHE 56 CO 0.34 0.66 -0.02 -1.83 -0.10 0.00 0.00 175.22 174.27 2wuu s GLU 57 N -3.60 0.28 0.39 0.44 -1.05 -0.18 -4.78 118.70 110.21 2wuu s GLU 57 Ca 0.31 -0.54 -0.25 0.00 -0.15 0.00 0.00 54.97 54.33 2wuu s GLU 57 Cb -0.06 0.10 -0.09 0.00 -0.44 0.00 0.00 34.13 33.65 2wuu s GLU 57 CO 0.18 -0.05 1.12 -1.58 0.95 0.00 0.00 175.26 175.88 2wuu s TRP 58 N -1.31 3.19 -0.05 4.83 0.52 -1.26 -1.00 118.94 123.85 2wuu s TRP 58 Ca -0.14 1.60 -0.02 0.00 0.02 0.00 0.00 56.10 57.56 2wuu s TRP 58 Cb -0.09 -3.28 0.03 0.00 -1.15 0.00 0.00 33.47 28.98 2wuu s TRP 58 CO -0.01 -0.99 0.10 -0.46 0.02 0.00 0.00 176.95 175.61 2wuu s TRP 59 N -1.48 -0.09 -0.45 -1.98 -0.00 -0.06 -4.86 118.94 110.01 2wuu s TRP 59 Ca 0.56 0.33 -0.14 0.00 -0.00 0.00 0.00 56.10 56.85 2wuu s TRP 59 Cb -0.27 -0.13 0.07 0.00 -0.00 0.00 0.00 33.47 33.14 2wuu s TRP 59 CO 0.34 -0.13 0.36 0.99 -0.00 0.00 0.00 176.95 178.51 2wuu s THR 60 N 1.03 5.03 0.53 5.86 2.01 -1.26 -1.28 115.64 127.55 2wuu s THR 60 Ca -0.08 -1.09 -0.21 0.00 0.31 0.00 0.00 61.69 60.62 2wuu s THR 60 Cb -0.11 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2wuu s THR 60 CO -0.04 -0.53 1.21 -2.84 -0.69 0.00 0.00 174.62 171.72 2wuu s PRO 61 N 1.60 3.31 -0.34 4.92 0.02 -1.26 -4.97 135.00 138.29 2wuu s PRO 61 Ca 0.04 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.72 2wuu s PRO 61 Cb -0.23 -2.16 -0.00 0.00 0.02 0.00 0.00 34.50 32.12 2wuu s PRO 61 CO 0.06 -0.94 0.59 1.21 -0.33 0.00 0.00 177.00 177.59 2wuu s ASN 62 N -1.42 6.41 0.00 2.53 3.84 -1.26 -4.94 114.94 120.10 2wuu s ASN 62 Ca 0.71 0.19 0.26 0.00 0.21 0.00 0.00 52.86 54.23 2wuu s ASN 62 Cb -0.31 -2.31 1.39 0.00 -0.55 0.00 0.00 41.25 39.47 2wuu s ASN 62 CO 0.35 -0.52 1.90 0.23 -2.79 0.00 0.00 177.10 176.28 2wuu n MET 63 N 5.89 0.49 -0.02 0.43 2.81 -1.26 -1.81 117.12 123.65 2wuu n MET 63 Ca -0.02 0.03 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 2wuu n MET 63 Cb 0.49 -1.50 0.50 0.00 -0.71 0.00 0.00 33.22 32.00 2wuu n MET 63 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2wuu n GLU 64 N -1.22 1.68 -3.92 0.03 1.02 -1.26 -4.82 120.64 112.15 2wuu n GLU 64 Ca 0.14 -0.99 -0.35 0.00 -0.02 0.00 0.00 57.16 55.94 2wuu n GLU 64 Cb 0.18 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 2wuu n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wuu s ALA 65 N -1.96 2.89 0.33 0.62 0.00 -0.75 -4.99 121.76 117.91 2wuu s ALA 65 Ca 0.37 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2wuu s ALA 65 Cb 0.20 -1.76 0.63 0.00 0.00 0.00 0.00 23.12 22.19 2wuu s ALA 65 CO 0.32 -0.39 1.94 0.00 0.00 0.00 0.00 175.76 177.63 2wuu h ALA 66 N 8.03 1.60 -0.08 0.00 0.00 -1.87 -1.31 119.26 125.63 2wuu h ALA 66 Ca -0.40 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2wuu h ALA 66 Cb 1.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2wuu h ALA 66 CO 0.60 0.28 -0.34 -0.44 0.00 0.00 0.00 179.25 179.35 2wuu h ASP 67 N 0.90 0.15 -0.06 0.00 3.32 -1.94 -0.50 116.42 118.31 2wuu h ASP 67 Ca 0.35 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 2wuu h ASP 67 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wuu h ASP 67 CO -0.12 0.49 -0.30 0.44 -1.72 0.00 0.00 179.24 178.03 2wuu h ASP 68 N 0.13 0.37 -0.77 6.45 5.19 -1.52 -1.85 116.42 124.42 2wuu h ASP 68 Ca 0.02 -0.66 0.05 0.00 -0.62 0.00 0.00 57.03 55.82 2wuu h ASP 68 Cb 0.67 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 2wuu h ASP 68 CO 0.05 0.96 0.47 0.40 -3.12 0.00 0.00 179.24 178.00 2wuu h ILE 69 N -0.21 1.04 -0.70 0.35 2.04 -1.28 -2.01 117.51 116.74 2wuu h ILE 69 Ca -0.02 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2wuu h ILE 69 Cb 0.96 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2wuu h ILE 69 CO 0.06 0.16 0.40 -0.74 0.00 0.00 0.00 178.15 178.04 2wuu h HIS 70 N 0.87 0.74 -0.25 1.37 2.76 -0.99 -0.43 115.15 119.22 2wuu h HIS 70 Ca 0.33 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2wuu h HIS 70 Cb 0.12 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2wuu h HIS 70 CO -0.05 0.36 0.15 0.00 -1.30 0.00 0.00 177.93 177.10 2wuu h ALA 71 N 1.36 0.32 -0.22 5.26 0.00 -0.79 -0.73 119.26 124.46 2wuu h ALA 71 Ca 0.31 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2wuu h ALA 71 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2wuu h ALA 71 CO -0.18 -0.19 -0.02 0.82 0.00 0.00 0.00 179.25 179.69 2wuu h ILE 72 N 0.32 0.82 -0.54 0.00 2.04 -1.10 -1.90 117.51 117.14 2wuu h ILE 72 Ca 0.09 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.04 2wuu h ILE 72 Cb 0.00 0.77 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 2wuu h ILE 72 CO -0.02 0.01 -0.06 0.22 0.00 0.00 0.00 178.15 178.30 2wuu h TYR 73 N 0.04 -0.15 -0.59 1.37 3.20 -0.79 -1.36 116.97 118.70 2wuu h TYR 73 Ca 0.10 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 2wuu h TYR 73 Cb 0.14 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2wuu h TYR 73 CO -0.20 -0.18 -0.03 0.93 -1.64 0.00 0.00 178.16 177.04 2wuu h GLU 74 N 0.06 1.05 -0.06 1.82 4.39 -0.88 0.17 114.58 121.13 2wuu h GLU 74 Ca 0.27 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2wuu h GLU 74 Cb 0.42 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2wuu h GLU 74 CO -0.51 1.05 -0.06 1.25 -1.16 0.00 0.00 179.01 179.58 2wuu h LEU 75 N 0.95 -0.19 -0.84 1.33 5.85 -0.98 -2.84 115.31 118.58 2wuu h LEU 75 Ca 0.16 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 2wuu h LEU 75 Cb 0.59 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2wuu h LEU 75 CO 0.04 -0.09 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.44 2wuu h LEU 76 N -0.08 0.12 -1.06 2.25 3.38 -1.05 -1.09 115.31 117.78 2wuu h LEU 76 Ca 0.05 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2wuu h LEU 76 Cb 0.15 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2wuu h LEU 76 CO -0.11 0.64 0.63 -0.09 0.09 0.00 0.00 178.44 179.59 2wuu h ARG 77 N 0.09 1.11 0.00 1.13 2.43 -0.43 -2.32 114.38 116.39 2wuu h ARG 77 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wuu h ARG 77 Cb 0.98 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2wuu h ARG 77 CO 0.08 0.74 -1.14 -0.25 -1.51 0.00 0.00 179.97 177.88 2wuu n ASP 78 N -4.48 0.84 0.00 -3.80 8.00 -1.13 -4.66 116.55 111.33 2wuu n ASP 78 Ca 0.14 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2wuu n ASP 78 Cb 0.16 1.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.53 2wuu n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wuu n ASN 79 N -1.64 0.51 -1.37 -2.24 3.02 -0.43 -4.90 115.26 108.21 2wuu n ASN 79 Ca 0.01 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2wuu n ASN 79 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2wuu n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wuu n TYR 80 N -0.12 -0.53 -1.70 3.10 9.36 -0.88 -4.65 117.16 121.74 2wuu n TYR 80 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2wuu n TYR 80 Cb 0.39 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.07 2wuu n TYR 80 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wuu n VAL 81 N -0.22 0.18 -0.79 2.97 0.31 -1.26 -5.10 118.33 114.43 2wuu n VAL 81 Ca 0.00 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2wuu n VAL 81 Cb 0.00 -2.02 0.11 0.00 -0.91 0.00 0.00 33.84 31.01 2wuu n VAL 81 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wuu n GLU 82 N 4.76 -1.84 0.00 5.55 0.00 -1.26 -4.76 120.64 123.08 2wuu n GLU 82 Ca 0.17 -0.77 0.04 0.00 0.00 0.00 0.00 57.16 56.60 2wuu n GLU 82 Cb 0.36 -0.71 -0.04 0.00 0.00 0.00 0.00 31.44 31.05 2wuu n GLU 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2wuu n SER 86 N -3.78 0.59 -0.15 -1.84 3.41 -1.26 -5.04 113.62 105.55 2wuu n SER 86 Ca 0.07 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 58.00 2wuu n SER 86 Cb 0.26 0.87 0.21 0.00 -0.26 0.00 0.00 64.21 65.29 2wuu n SER 86 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2wuu n MET 87 N -0.97 0.47 -4.14 4.33 2.81 -1.26 -4.85 117.12 113.52 2wuu n MET 87 Ca 0.02 -0.31 -0.17 0.00 -1.81 0.00 0.00 57.70 55.43 2wuu n MET 87 Cb 0.15 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.05 2wuu n MET 87 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2wuu s PHE 88 N -2.75 1.04 -0.11 2.03 0.08 -1.26 0.90 117.98 117.91 2wuu s PHE 88 Ca 0.17 -0.48 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 2wuu s PHE 88 Cb 0.18 -0.59 0.04 0.00 -0.57 0.00 0.00 43.02 42.08 2wuu s PHE 88 CO 0.64 0.01 0.06 0.50 -0.10 0.00 0.00 175.22 176.33 2wuu s ARG 89 N -1.71 0.17 0.46 0.44 3.52 -0.33 -4.94 118.95 116.55 2wuu s ARG 89 Ca -0.04 0.06 -0.23 0.00 -0.13 0.00 0.00 55.73 55.39 2wuu s ARG 89 Cb -0.10 -1.29 -0.09 0.00 -1.56 0.00 0.00 34.95 31.91 2wuu s ARG 89 CO 0.02 -0.50 1.06 1.19 -0.81 0.00 0.00 175.30 176.26 2wuu n PHE 90 N 5.24 1.31 -3.99 5.12 3.72 -1.26 -0.48 117.46 127.12 2wuu n PHE 90 Ca -0.06 0.52 -0.31 0.00 -0.05 0.00 0.00 57.45 57.55 2wuu n PHE 90 Cb 0.49 -2.24 -0.15 0.00 -0.94 0.00 0.00 39.48 36.64 2wuu n PHE 90 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2wuu s ASN 91 N -0.80 4.53 -0.55 4.37 0.02 0.23 -4.81 114.94 117.93 2wuu s ASN 91 Ca 0.65 -1.85 -0.19 0.00 -1.02 0.00 0.00 52.86 50.45 2wuu s ASN 91 Cb -0.51 -1.48 0.07 0.00 0.02 0.00 0.00 41.25 39.35 2wuu s ASN 91 CO 0.55 -0.33 0.68 -0.31 0.02 0.00 0.00 177.10 177.71 2wuu s TYR 92 N 1.07 3.00 0.88 2.20 2.02 -1.26 -4.17 117.35 121.09 2wuu s TYR 92 Ca 0.05 -0.67 -0.11 0.00 -0.37 0.00 0.00 57.07 55.97 2wuu s TYR 92 Cb -0.19 -3.77 0.12 0.00 -0.40 0.00 0.00 41.96 37.72 2wuu s TYR 92 CO -0.09 -1.17 1.09 -1.54 -1.57 0.00 0.00 175.55 172.27 2wuu s SER 93 N 3.09 3.54 0.31 2.29 1.04 -1.26 -4.79 113.70 117.92 2wuu s SER 93 Ca 0.15 1.66 0.01 0.00 0.48 0.00 0.00 55.95 58.25 2wuu s SER 93 Cb -0.21 -2.32 0.55 0.00 0.10 0.00 0.00 66.02 64.15 2wuu s SER 93 CO 0.10 -2.62 1.92 -0.33 0.98 0.00 0.00 173.24 173.29 2wuu h GLU 94 N -1.54 0.97 -0.43 4.02 5.08 -1.96 0.41 114.58 121.13 2wuu h GLU 94 Ca -0.48 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 2wuu h GLU 94 Cb 1.27 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2wuu h GLU 94 CO 0.52 0.64 0.06 1.49 -1.00 0.00 0.00 179.01 180.72 2wuu h GLU 95 N 1.00 0.73 -0.54 2.33 4.57 -1.99 -0.49 114.58 120.18 2wuu h GLU 95 Ca 0.37 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 2wuu h GLU 95 Cb 0.17 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2wuu h GLU 95 CO -0.13 0.76 0.30 0.35 -1.18 0.00 0.00 179.01 179.11 2wuu h PHE 96 N 0.58 0.55 -0.47 0.92 3.57 -1.80 -1.70 116.94 118.59 2wuu h PHE 96 Ca 0.13 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 2wuu h PHE 96 Cb 0.39 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2wuu h PHE 96 CO 0.03 0.29 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.31 2wuu h LEU 97 N 0.58 0.84 -0.96 0.59 3.38 -0.70 0.27 115.31 119.31 2wuu h LEU 97 Ca 0.23 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2wuu h LEU 97 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2wuu h LEU 97 CO -0.13 0.95 0.17 1.56 0.09 0.00 0.00 178.44 181.08 2wuu h GLN 98 N 0.70 0.93 -0.03 1.13 4.20 -0.97 0.83 115.11 121.90 2wuu h GLN 98 Ca 0.13 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2wuu h GLN 98 Cb 0.54 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wuu h GLN 98 CO 0.03 0.82 0.02 2.35 -0.67 0.00 0.00 178.83 181.37 2wuu h TRP 99 N 0.90 0.04 -0.23 2.96 7.01 -0.95 -0.91 115.95 124.77 2wuu h TRP 99 Ca 0.20 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.08 2wuu h TRP 99 Cb 0.29 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 2wuu h TRP 99 CO 0.02 0.08 -0.36 0.00 -2.79 0.00 0.00 178.44 175.38 2wuu h ALA 100 N 0.96 0.94 0.00 2.65 0.00 -0.64 -3.32 119.26 119.86 2wuu h ALA 100 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wuu h ALA 100 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wuu h ALA 100 CO -0.00 0.62 -1.25 1.28 0.00 0.00 0.00 179.25 179.90 2wuu n LEU 101 N -4.05 0.54 -2.73 0.00 4.77 0.26 -4.58 117.00 111.21 2wuu n LEU 101 Ca -0.01 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 2wuu n LEU 101 Cb 0.48 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2wuu n LEU 101 CO 0.44 -0.03 0.10 0.00 -1.33 0.00 0.00 177.39 176.56 2wuu s PRO 103 N -3.36 -0.99 0.24 0.00 0.04 -1.26 -4.87 135.00 124.80 2wuu s PRO 103 Ca 0.45 0.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.22 2wuu s PRO 103 Cb 0.36 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 33.16 2wuu s PRO 103 CO -0.13 -3.58 1.46 -2.30 0.04 0.00 0.00 177.00 172.49 2wuu n PRO 104 N -4.69 2.18 -2.65 0.56 -0.02 -1.26 -1.58 135.00 127.54 2wuu n PRO 104 Ca 0.11 0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 62.16 2wuu n PRO 104 Cb 0.59 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2wuu n PRO 104 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wuu n SER 105 N 2.32 -5.73 -4.73 2.55 7.64 -1.26 -4.91 113.62 109.51 2wuu n SER 105 Ca 0.12 -0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 2wuu n SER 105 Cb 0.32 -4.73 0.07 0.00 -1.01 0.00 0.00 64.21 58.87 2wuu n SER 105 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2wuu s TYR 106 N -3.05 2.11 -0.35 1.43 -0.85 -0.62 -4.82 117.35 111.20 2wuu s TYR 106 Ca 0.12 1.53 -0.13 0.00 -0.52 0.00 0.00 57.07 58.07 2wuu s TYR 106 Cb -0.05 -3.59 -0.00 0.00 0.38 0.00 0.00 41.96 38.69 2wuu s TYR 106 CO 0.14 -2.72 0.24 0.42 -1.52 0.00 0.00 175.55 172.11 2wuu s ILE 107 N -1.62 5.12 0.25 -3.49 -1.09 -1.26 -4.99 121.20 114.12 2wuu s ILE 107 Ca 0.79 -0.39 -0.04 0.00 -2.23 0.00 0.00 60.65 58.78 2wuu s ILE 107 Cb -0.34 -3.69 0.23 0.00 -1.58 0.00 0.00 42.46 37.09 2wuu s ILE 107 CO 0.40 -0.08 1.84 -0.65 -1.23 0.00 0.00 174.94 175.23 2wuu h PRO 108 N 8.49 0.93 0.00 2.79 0.11 -1.96 -1.21 132.00 141.16 2wuu h PRO 108 Ca -0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2wuu h PRO 108 Cb 1.14 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wuu h PRO 108 CO 0.65 0.62 0.00 -0.40 -0.21 0.00 0.00 178.00 178.66 2wuu n ASP 109 N -4.63 0.00 0.00 -2.05 5.75 -1.26 -1.62 116.55 112.74 2wuu n ASP 109 Ca 0.14 -1.21 0.15 0.00 -0.01 0.00 0.00 54.79 53.86 2wuu n ASP 109 Cb 0.23 0.00 0.84 0.00 -1.03 0.00 0.00 41.12 41.16 2wuu n ASP 109 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2wuu n TRP 110 N -0.89 0.00 -3.27 2.11 7.02 -0.46 -4.41 117.44 117.54 2wuu n TRP 110 Ca 0.19 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.23 2wuu n TRP 110 Cb 0.09 -0.10 -0.07 0.00 -2.42 0.00 0.00 31.31 28.81 2wuu n TRP 110 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2wuu s HIS 111 N -2.19 3.14 -0.19 -5.99 3.76 -0.64 -0.74 115.29 112.44 2wuu s HIS 111 Ca 0.39 -0.68 -0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2wuu s HIS 111 Cb 0.20 -3.31 -0.01 0.00 1.11 0.00 0.00 32.58 30.57 2wuu s HIS 111 CO 0.38 -0.90 -0.08 0.08 -0.85 0.00 0.00 174.74 173.37 2wuu s VAL 112 N 2.16 3.20 0.18 -0.90 1.01 -0.27 -4.15 120.40 121.62 2wuu s VAL 112 Ca 0.10 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2wuu s VAL 112 Cb -0.21 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2wuu s VAL 112 CO 0.10 0.46 -0.15 0.00 0.00 0.00 0.00 175.10 175.51 2wuu s ALA 113 N 1.11 1.90 -0.11 5.51 0.00 -0.41 -0.90 121.76 128.86 2wuu s ALA 113 Ca 0.01 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2wuu s ALA 113 Cb -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2wuu s ALA 113 CO -0.02 0.11 -0.22 0.08 0.00 0.00 0.00 175.76 175.71 2wuu s VAL 114 N -2.63 1.96 0.16 0.00 1.01 -0.50 -0.89 120.40 119.51 2wuu s VAL 114 Ca 0.18 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2wuu s VAL 114 Cb -0.02 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2wuu s VAL 114 CO 0.06 0.53 -0.22 -0.13 0.00 0.00 0.00 175.10 175.35 2wuu s ARG 115 N 0.55 1.36 0.03 2.72 0.52 -0.17 -0.67 118.95 123.28 2wuu s ARG 115 Ca -0.14 -1.42 -0.30 0.00 -0.52 0.00 0.00 55.73 53.35 2wuu s ARG 115 Cb -0.17 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.66 2wuu s ARG 115 CO 0.05 0.34 1.17 0.50 0.02 0.00 0.00 175.30 177.39 2wuu s ARG 116 N -2.56 4.43 0.20 3.54 3.52 0.15 -1.01 118.95 127.22 2wuu s ARG 116 Ca 0.16 1.71 -0.09 0.00 -0.13 0.00 0.00 55.73 57.38 2wuu s ARG 116 Cb -0.08 -3.41 0.12 0.00 -1.56 0.00 0.00 34.95 30.03 2wuu s ARG 116 CO 0.08 -0.27 1.73 0.87 -0.81 0.00 0.00 175.30 176.89 2wuu h LYS 117 N 6.95 1.13 -0.82 5.12 1.57 -1.22 0.23 116.57 129.52 2wuu h LYS 117 Ca -0.40 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.16 2wuu h LYS 117 Cb 1.20 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 2wuu h LYS 117 CO 0.82 0.97 0.52 0.00 -0.57 0.00 0.00 179.45 181.20 2wuu h ALA 118 N 1.10 1.09 0.00 3.86 0.00 -1.92 -3.26 119.26 120.12 2wuu h ALA 118 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wuu h ALA 118 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wuu h ALA 118 CO -0.00 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 2wuu n ASP 119 N -4.58 0.90 -2.14 0.00 5.75 -1.22 -5.01 116.55 110.24 2wuu n ASP 119 Ca 0.10 -1.33 -0.17 0.00 -0.01 0.00 0.00 54.79 53.38 2wuu n ASP 119 Cb 0.10 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 2wuu n ASP 119 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wuu n LYS 120 N -0.16 -1.75 -2.15 0.11 5.02 0.80 -4.95 118.16 115.07 2wuu n LYS 120 Ca 0.00 0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 56.77 2wuu n LYS 120 Cb 0.25 -5.44 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 2wuu n LYS 120 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2wuu s LYS 121 N -4.57 4.33 -0.06 1.97 2.20 -1.22 -4.65 119.74 117.73 2wuu s LYS 121 Ca 0.00 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 2wuu s LYS 121 Cb 0.00 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2wuu s LYS 121 CO 0.00 -0.39 1.31 -1.17 -0.36 0.00 0.00 175.35 174.73 2wuu s LEU 122 N 0.59 4.27 0.00 5.43 2.96 -1.26 -0.68 118.68 129.99 2wuu s LEU 122 Ca 0.62 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 2wuu s LEU 122 Cb -0.38 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.76 2wuu s LEU 122 CO 0.34 -0.69 0.00 0.18 -1.32 0.00 0.00 176.35 174.86 2wuu n LEU 123 N 5.69 0.00 -3.46 -0.68 4.77 0.15 -4.90 117.00 118.58 2wuu n LEU 123 Ca 0.13 -0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 55.60 2wuu n LEU 123 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2wuu n LEU 123 CO 0.57 0.00 0.41 0.00 -1.33 0.00 0.00 177.39 177.04 2wuu s ALA 124 N -1.11 -1.66 -0.08 -1.18 0.00 -1.06 -0.31 121.76 116.36 2wuu s ALA 124 Ca 0.00 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 2wuu s ALA 124 Cb 0.00 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.73 2wuu s ALA 124 CO 0.00 -0.62 0.52 0.12 0.00 0.00 0.00 175.76 175.78 2wuu s PHE 125 N -2.81 -0.48 -0.01 0.00 5.36 0.11 -1.41 117.98 118.73 2wuu s PHE 125 Ca -0.03 0.93 -0.12 0.00 -0.96 0.00 0.00 56.93 56.75 2wuu s PHE 125 Cb -0.01 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.94 2wuu s PHE 125 CO -0.05 -0.45 0.24 -1.50 -1.46 0.00 0.00 175.22 172.01 2wuu s ILE 126 N -0.83 0.06 -0.02 3.12 2.07 -0.08 -0.77 121.20 124.76 2wuu s ILE 126 Ca -0.09 -0.53 0.03 0.00 -1.41 0.00 0.00 60.65 58.66 2wuu s ILE 126 Cb -0.03 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 42.02 2wuu s ILE 126 CO 0.06 -0.29 -0.12 0.00 -1.91 0.00 0.00 174.94 172.68 2wuu s ALA 127 N -1.26 1.05 0.04 1.50 0.00 -0.63 -1.12 121.76 121.33 2wuu s ALA 127 Ca -0.13 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2wuu s ALA 127 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2wuu s ALA 127 CO 0.03 0.21 -0.05 0.20 0.00 0.00 0.00 175.76 176.15 2wuu s GLY 128 N -0.01 1.81 0.07 0.00 0.00 0.08 -0.80 107.32 108.47 2wuu s GLY 128 Ca -0.00 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.68 2wuu s GLY 128 CO 0.00 -0.97 -0.09 -1.34 0.00 0.00 0.00 173.10 170.70 2wuu s VAL 129 N -1.10 0.77 0.46 1.40 -7.23 -0.09 -4.50 120.40 110.10 2wuu s VAL 129 Ca 0.20 -1.35 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 2wuu s VAL 129 Cb -0.11 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.76 2wuu s VAL 129 CO 0.11 -0.45 1.21 -2.16 -0.31 0.00 0.00 175.10 173.50 2wuu s PRO 130 N -2.15 3.72 -0.04 4.82 0.04 -1.26 -0.38 135.00 139.75 2wuu s PRO 130 Ca -0.02 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 2wuu s PRO 130 Cb -0.07 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.04 2wuu s PRO 130 CO 0.00 -0.61 0.19 0.54 0.04 0.00 0.00 177.00 177.16 2wuu s VAL 131 N -1.47 0.04 -0.26 -0.36 0.11 -0.73 -4.78 120.40 112.95 2wuu s VAL 131 Ca 0.63 -0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 59.30 2wuu s VAL 131 Cb -0.31 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2wuu s VAL 131 CO 0.38 -0.16 0.14 -0.89 -3.33 0.00 0.00 175.10 171.24 2wuu s THR 132 N -0.57 4.93 -0.04 5.04 2.01 -1.26 -0.96 115.64 124.79 2wuu s THR 132 Ca -0.07 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.01 2wuu s THR 132 Cb -0.04 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 2wuu s THR 132 CO 0.01 0.30 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.87 2wuu s LEU 133 N 1.56 1.87 -0.16 4.42 2.96 0.07 -0.73 118.68 128.66 2wuu s LEU 133 Ca 0.07 -0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 2wuu s LEU 133 Cb -0.15 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.63 2wuu s LEU 133 CO 0.07 0.13 1.06 -0.13 -1.32 0.00 0.00 176.35 176.15 2wuu s ARG 134 N 0.15 4.33 -0.07 1.98 0.52 0.23 -0.57 118.95 125.53 2wuu s ARG 134 Ca -0.05 1.42 0.10 0.00 -0.52 0.00 0.00 55.73 56.68 2wuu s ARG 134 Cb -0.12 -3.61 0.21 0.00 0.52 0.00 0.00 34.95 31.96 2wuu s ARG 134 CO 0.02 -0.50 1.13 0.00 0.02 0.00 0.00 175.30 175.98 2wuu n MET 135 N 5.75 0.33 -2.08 3.54 0.00 -1.26 -2.46 117.12 120.94 2wuu n MET 135 Ca 0.11 -1.48 -0.28 0.00 0.00 0.00 0.00 57.70 56.05 2wuu n MET 135 Cb 0.47 0.20 0.13 0.00 0.00 0.00 0.00 33.22 34.03 2wuu n MET 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wuu s GLY 136 N -1.49 1.73 0.11 3.17 0.00 -1.21 -4.85 107.32 104.78 2wuu s GLY 136 Ca 0.12 -1.13 -0.35 0.00 0.00 0.00 0.00 44.72 43.36 2wuu s GLY 136 CO -0.07 -0.51 1.32 2.41 0.00 0.00 0.00 173.10 176.25 2wuu n THR 137 N -3.38 0.23 -1.33 0.90 -1.04 -1.26 -4.86 114.28 103.53 2wuu n THR 137 Ca 0.12 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 2wuu n THR 137 Cb 0.60 -0.89 0.09 0.00 -1.82 0.00 0.00 70.33 68.31 2wuu n THR 137 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wuu s PRO 138 N 0.30 2.34 0.26 -2.82 0.04 -1.26 -4.70 135.00 129.15 2wuu s PRO 138 Ca 0.81 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2wuu s PRO 138 Cb -0.90 -1.91 0.52 0.00 0.04 0.00 0.00 34.50 32.25 2wuu s PRO 138 CO 0.47 -1.56 1.74 0.87 0.04 0.00 0.00 177.00 178.56 2wuu h LYS 139 N -1.06 0.49 0.00 4.56 1.57 -1.95 0.30 116.57 120.47 2wuu h LYS 139 Ca -0.44 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 2wuu h LYS 139 Cb 1.23 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2wuu h LYS 139 CO 0.53 0.32 -0.50 0.10 -0.57 0.00 0.00 179.45 179.33 2wuu h TYR 140 N 0.50 0.00 0.03 -1.35 -0.00 -2.01 -2.26 116.97 111.89 2wuu h TYR 140 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.97 2wuu h TYR 140 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.41 2wuu h TYR 140 CO -0.13 0.50 -0.98 0.52 -0.00 0.00 0.00 178.16 178.06 2wuu h MET 141 N 0.00 0.17 -0.30 0.10 2.86 -1.67 -3.01 114.93 113.08 2wuu h MET 141 Ca -0.01 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 2wuu h MET 141 Cb 1.04 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 2wuu h MET 141 CO 0.07 1.02 -0.13 0.87 1.06 0.00 0.00 176.91 179.80 2wuu h LYS 142 N 0.08 0.51 -0.25 1.72 1.57 -0.56 -0.49 116.57 119.15 2wuu h LYS 142 Ca -0.06 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2wuu h LYS 142 Cb 1.66 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2wuu h LYS 142 CO 0.15 0.63 0.11 0.28 -0.57 0.00 0.00 179.45 180.05 2wuu h VAL 143 N 0.47 1.15 -0.68 0.50 2.07 -1.39 -0.23 116.25 118.14 2wuu h VAL 143 Ca 0.09 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2wuu h VAL 143 Cb 0.51 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2wuu h VAL 143 CO 0.03 0.15 0.45 0.11 0.02 0.00 0.00 177.57 178.33 2wuu h LYS 144 N 0.26 0.79 -0.47 1.57 1.57 -1.35 -2.45 116.57 116.49 2wuu h LYS 144 Ca 0.08 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2wuu h LYS 144 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2wuu h LYS 144 CO -0.01 0.52 -0.25 0.00 -0.57 0.00 0.00 179.45 179.14 2wuu h ALA 145 N 1.61 0.66 -0.74 3.86 0.00 -0.75 -2.95 119.26 120.95 2wuu h ALA 145 Ca 0.27 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2wuu h ALA 145 Cb 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2wuu h ALA 145 CO -0.08 0.68 0.45 0.37 0.00 0.00 0.00 179.25 180.68 2wuu h GLN 146 N 0.85 0.84 -0.50 0.00 5.75 -0.65 0.75 115.11 122.16 2wuu h GLN 146 Ca 0.10 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 2wuu h GLN 146 Cb 0.83 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 2wuu h GLN 146 CO 0.07 0.56 0.33 0.93 -2.65 0.00 0.00 178.83 178.07 2wuu h GLU 147 N 0.87 0.57 -0.61 1.69 5.08 -1.31 -2.17 114.58 118.70 2wuu h GLU 147 Ca 0.31 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2wuu h GLU 147 Cb 0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2wuu h GLU 147 CO -0.14 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 179.88 2wuu n LYS 148 N -4.47 2.45 -1.60 2.33 5.02 -0.56 -4.95 118.16 116.38 2wuu n LYS 148 Ca 0.05 -2.25 -0.15 0.00 -2.02 0.00 0.00 58.31 53.94 2wuu n LYS 148 Cb 0.13 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2wuu n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wuu n GLY 149 N 1.50 1.18 1.51 0.72 0.00 -0.77 -4.90 105.19 104.42 2wuu n GLY 149 Ca 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 2wuu n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wuu n GLN 150 N -2.54 2.40 -0.32 1.61 6.02 0.15 -4.70 117.38 120.00 2wuu n GLN 150 Ca -0.16 -3.08 0.02 0.00 -0.01 0.00 0.00 57.00 53.77 2wuu n GLN 150 Cb 0.52 -1.97 0.19 0.00 1.02 0.00 0.00 30.24 30.00 2wuu n GLN 150 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2wuu h GLU 151 N 1.38 1.11 0.16 -1.09 3.07 -1.88 -1.39 114.58 115.95 2wuu h GLU 151 Ca 0.29 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 2wuu h GLU 151 Cb 2.02 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 2wuu h GLU 151 CO 0.59 0.74 -0.08 1.49 -1.40 0.00 0.00 179.01 180.35 2wuu h GLU 152 N 1.15 -0.21 -0.75 2.33 4.81 -1.94 -0.71 114.58 119.25 2wuu h GLU 152 Ca 0.38 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.73 2wuu h GLU 152 Cb 0.05 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.40 2wuu h GLU 152 CO -0.12 -0.06 0.38 0.93 -0.73 0.00 0.00 179.01 179.41 2wuu h GLU 153 N -0.33 0.60 0.00 1.92 5.08 -1.85 -2.04 114.58 117.97 2wuu h GLU 153 Ca -0.02 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2wuu h GLU 153 Cb 0.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2wuu h GLU 153 CO 0.04 0.40 -0.28 0.00 -1.00 0.00 0.00 179.01 178.17 2wuu h ALA 154 N 1.46 1.36 -0.02 3.43 0.00 -0.98 -3.16 119.26 121.35 2wuu h ALA 154 Ca 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wuu h ALA 154 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wuu h ALA 154 CO -0.29 0.35 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 2wuu n ALA 155 N -2.41 2.56 -0.34 0.00 0.00 -0.30 -4.02 120.51 116.00 2wuu n ALA 155 Ca -0.02 -0.59 0.04 0.00 0.00 0.00 0.00 53.44 52.87 2wuu n ALA 155 Cb 0.35 -0.95 0.19 0.00 0.00 0.00 0.00 19.45 19.05 2wuu n ALA 155 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wuu h LYS 156 N 3.68 0.96 -0.75 0.00 3.64 -1.43 -2.57 116.57 120.10 2wuu h LYS 156 Ca 0.00 -0.06 -0.36 0.00 -1.27 0.00 0.00 60.65 58.97 2wuu h LYS 156 Cb 0.80 -0.22 -0.21 0.00 -0.41 0.00 0.00 32.23 32.19 2wuu h LYS 156 CO 0.00 0.64 0.37 0.66 -2.27 0.00 0.00 179.45 178.85 2wuu n TYR 157 N -4.62 2.36 0.21 1.91 4.01 -1.26 -4.65 117.16 115.11 2wuu n TYR 157 Ca 0.16 -1.64 0.07 0.00 -0.16 0.00 0.00 57.90 56.33 2wuu n TYR 157 Cb 0.27 -0.76 0.43 0.00 -0.31 0.00 0.00 39.34 38.97 2wuu n TYR 157 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wuu h ASP 158 N 1.32 0.00 -3.91 7.72 3.32 -1.76 -3.21 116.42 119.89 2wuu h ASP 158 Ca 0.44 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.97 2wuu h ASP 158 Cb 2.41 0.00 0.07 0.00 0.22 0.00 0.00 39.33 42.03 2wuu h ASP 158 CO 0.82 0.31 0.61 0.00 -1.72 0.00 0.00 179.24 179.26 2wuu s ALA 159 N -3.80 3.36 0.42 3.45 0.00 -1.26 -4.64 121.76 119.29 2wuu s ALA 159 Ca -0.01 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 2wuu s ALA 159 Cb 0.12 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2wuu s ALA 159 CO 0.67 -0.71 1.33 -2.30 0.00 0.00 0.00 175.76 174.74 2wuu n PRO 160 N 0.44 2.07 -4.84 0.00 -0.02 -1.26 -4.75 135.00 126.64 2wuu n PRO 160 Ca 0.02 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 2wuu n PRO 160 Cb 0.43 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.32 2wuu n PRO 160 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wuu s ARG 161 N -2.24 2.29 -0.52 -0.52 0.52 0.27 -4.85 118.95 113.90 2wuu s ARG 161 Ca 0.60 -0.84 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 2wuu s ARG 161 Cb -0.49 -2.27 0.05 0.00 0.52 0.00 0.00 34.95 32.76 2wuu s ARG 161 CO 0.59 0.58 0.78 -1.01 0.02 0.00 0.00 175.30 176.25 2wuu s HIS 162 N -0.80 2.93 0.00 -0.53 3.76 -1.26 -0.75 115.29 118.63 2wuu s HIS 162 Ca 0.13 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2wuu s HIS 162 Cb -0.10 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.80 2wuu s HIS 162 CO 0.02 -1.18 0.00 0.44 -0.85 0.00 0.00 174.74 173.18 2wuu n ILE 163 N 5.90 0.00 -4.59 0.60 -5.35 -0.13 -4.87 119.36 110.93 2wuu n ILE 163 Ca -0.02 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.12 2wuu n ILE 163 Cb 0.46 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.24 2wuu n ILE 163 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wuu s GLU 165 N -0.25 3.66 -0.15 0.00 2.12 0.49 -1.07 118.70 123.51 2wuu s GLU 165 Ca 0.03 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.78 2wuu s GLU 165 Cb -0.13 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2wuu s GLU 165 CO 0.03 -0.01 0.15 0.42 -0.54 0.00 0.00 175.26 175.30 2wuu s ILE 166 N 1.08 5.46 0.25 -3.70 -1.09 -0.55 -0.91 121.20 121.74 2wuu s ILE 166 Ca 0.03 0.22 -0.18 0.00 -2.23 0.00 0.00 60.65 58.49 2wuu s ILE 166 Cb -0.14 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 2wuu s ILE 166 CO 0.02 0.55 0.61 0.21 -1.23 0.00 0.00 174.94 175.10 2wuu s ASN 167 N -0.52 -0.21 -1.37 3.58 3.84 0.02 -4.52 114.94 115.76 2wuu s ASN 167 Ca 0.13 -0.68 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 2wuu s ASN 167 Cb -0.12 0.66 0.00 0.00 -0.55 0.00 0.00 41.25 41.24 2wuu s ASN 167 CO 0.02 -1.22 0.11 0.49 -2.79 0.00 0.00 177.10 173.70 2wuu n PHE 168 N -0.41 -0.95 -1.75 0.43 3.72 -1.26 -1.60 117.46 115.63 2wuu n PHE 168 Ca -0.05 0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 2wuu n PHE 168 Cb 0.61 -3.44 -0.03 0.00 -0.94 0.00 0.00 39.48 35.68 2wuu n PHE 168 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2wuu s LEU 169 N -4.87 4.38 -0.23 4.37 2.96 -1.26 -4.17 118.68 119.87 2wuu s LEU 169 Ca 0.05 2.78 -0.10 0.00 -0.22 0.00 0.00 54.13 56.64 2wuu s LEU 169 Cb -0.02 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.17 2wuu s LEU 169 CO 0.07 -0.97 0.52 0.00 -1.32 0.00 0.00 176.35 174.65 2wuu s VAL 171 N 2.08 3.10 0.43 0.00 1.01 -1.26 -0.71 120.40 125.05 2wuu s VAL 171 Ca -0.07 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2wuu s VAL 171 Cb -0.09 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.86 2wuu s VAL 171 CO -0.16 0.51 1.11 1.57 0.00 0.00 0.00 175.10 178.13 2wuu n HIS 172 N 3.80 1.53 -0.13 5.22 -0.00 0.57 -4.81 115.22 121.42 2wuu n HIS 172 Ca -0.18 0.53 0.26 0.00 0.46 0.00 0.00 57.72 58.79 2wuu n HIS 172 Cb 0.52 -2.28 0.72 0.00 -0.12 0.00 0.00 29.99 28.83 2wuu n HIS 172 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2wuu h LYS 173 N 1.70 0.00 0.00 1.57 1.57 -1.90 0.80 116.57 120.31 2wuu h LYS 173 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2wuu h LYS 173 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2wuu h LYS 173 CO 0.58 0.00 0.00 -0.56 -0.57 0.00 0.00 179.45 178.90 2wuu h GLN 174 N 0.00 0.00 -0.40 3.15 3.07 -1.96 -2.92 115.11 116.06 2wuu h GLN 174 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 2wuu h GLN 174 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.07 2wuu h GLN 174 CO -0.00 0.00 0.00 1.28 0.09 0.00 0.00 178.83 180.20 2wuu n LEU 175 N -2.99 3.54 -4.75 0.06 4.77 0.27 -5.04 117.00 112.86 2wuu n LEU 175 Ca 0.00 -2.34 -0.35 0.00 -0.03 0.00 0.00 56.01 53.30 2wuu n LEU 175 Cb 0.28 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2wuu n LEU 175 CO 0.26 0.74 0.80 -0.13 -1.33 0.00 0.00 177.39 177.73 2wuu s ARG 176 N -1.62 2.79 -1.38 3.23 1.81 -1.10 -3.59 118.95 119.09 2wuu s ARG 176 Ca 0.34 1.69 0.00 0.00 -1.72 0.00 0.00 55.73 56.05 2wuu s ARG 176 Cb 0.22 -1.92 0.00 0.00 -0.45 0.00 0.00 34.95 32.80 2wuu s ARG 176 CO 0.16 -1.31 0.00 0.39 -0.68 0.00 0.00 175.30 173.86 2wuu n GLU 177 N -1.98 -1.25 -0.08 3.54 4.71 -1.26 -4.88 120.64 119.44 2wuu n GLU 177 Ca 0.13 0.79 0.04 0.00 -0.01 0.00 0.00 57.16 58.11 2wuu n GLU 177 Cb 0.50 -5.15 0.08 0.00 -1.01 0.00 0.00 31.44 25.86 2wuu n GLU 177 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wuu n LYS 178 N -2.52 1.97 -2.09 3.49 5.02 -1.24 -4.98 118.16 117.82 2wuu n LYS 178 Ca -0.19 -1.57 -0.14 0.00 -2.02 0.00 0.00 58.31 54.39 2wuu n LYS 178 Cb 0.63 -1.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.45 2wuu n LYS 178 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wuu n ARG 179 N 0.27 -1.09 0.10 1.97 5.12 -1.26 -4.91 116.66 116.86 2wuu n ARG 179 Ca 0.07 0.75 -0.04 0.00 -1.93 0.00 0.00 57.85 56.70 2wuu n ARG 179 Cb 0.31 -4.99 0.01 0.00 -1.16 0.00 0.00 32.46 26.62 2wuu n ARG 179 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wuu h LEU 180 N 0.00 0.00 -0.44 0.55 5.85 -1.94 -3.26 115.31 116.07 2wuu h LEU 180 Ca -0.33 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2wuu h LEU 180 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2wuu h LEU 180 CO 0.40 0.80 0.26 0.00 -0.34 0.00 0.00 178.44 179.56 2wuu h ALA 181 N 1.20 0.57 -0.89 1.25 0.00 -1.94 -0.98 119.26 118.48 2wuu h ALA 181 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2wuu h ALA 181 Cb 1.48 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 2wuu h ALA 181 CO 0.10 0.07 0.57 -1.35 0.00 0.00 0.00 179.25 178.64 2wuu h PRO 182 N 0.59 0.81 -0.43 0.00 0.11 -1.98 -0.67 132.00 130.43 2wuu h PRO 182 Ca 0.16 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 2wuu h PRO 182 Cb 0.01 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2wuu h PRO 182 CO -0.03 0.54 -0.17 0.82 -0.21 0.00 0.00 178.00 178.95 2wuu h ILE 183 N 0.84 1.28 -0.67 4.15 2.04 -1.43 -0.30 117.51 123.41 2wuu h ILE 183 Ca 0.42 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 2wuu h ILE 183 Cb 0.48 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2wuu h ILE 183 CO -0.18 0.44 0.40 -0.07 0.00 0.00 0.00 178.15 178.74 2wuu h LEU 184 N 0.70 0.82 -0.43 1.44 3.38 -0.70 -0.66 115.31 119.84 2wuu h LEU 184 Ca 0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2wuu h LEU 184 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2wuu h LEU 184 CO 0.06 0.65 0.06 0.40 0.09 0.00 0.00 178.44 179.69 2wuu h ILE 185 N 0.92 1.25 -0.89 1.22 2.04 -0.94 -0.80 117.51 120.31 2wuu h ILE 185 Ca 0.24 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2wuu h ILE 185 Cb -0.01 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2wuu h ILE 185 CO -0.04 0.32 0.53 0.11 0.00 0.00 0.00 178.15 179.07 2wuu h LYS 186 N 0.58 1.21 -0.22 2.37 1.57 -0.81 -0.72 116.57 120.55 2wuu h LYS 186 Ca 0.13 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2wuu h LYS 186 Cb 0.39 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wuu h LYS 186 CO 0.01 0.85 -0.16 1.49 -0.57 0.00 0.00 179.45 181.06 2wuu h GLU 187 N 1.22 0.49 -0.23 3.15 4.57 -0.91 -1.34 114.58 121.54 2wuu h GLU 187 Ca 0.32 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2wuu h GLU 187 Cb -0.05 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2wuu h GLU 187 CO -0.06 0.80 -0.21 -0.24 -1.18 0.00 0.00 179.01 178.12 2wuu h VAL 188 N 0.19 1.25 -0.38 0.32 3.04 -1.06 -1.51 116.25 118.09 2wuu h VAL 188 Ca 0.04 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 2wuu h VAL 188 Cb 0.69 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.25 2wuu h VAL 188 CO 0.04 0.36 0.25 0.74 -1.01 0.00 0.00 177.57 177.95 2wuu h THR 189 N 0.38 1.10 -0.43 3.17 2.02 -0.94 -0.17 112.91 118.04 2wuu h THR 189 Ca 0.06 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2wuu h THR 189 Cb 0.58 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2wuu h THR 189 CO 0.04 0.10 0.27 -0.09 0.37 0.00 0.00 175.52 176.21 2wuu h ARG 190 N 0.51 0.52 -0.28 6.66 2.43 -0.78 0.83 114.38 124.27 2wuu h ARG 190 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2wuu h ARG 190 Cb -0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2wuu h ARG 190 CO -0.03 0.35 -0.08 0.00 -1.51 0.00 0.00 179.97 178.69 2wuu h ARG 191 N 0.54 0.46 -0.15 0.20 3.08 -0.84 0.53 114.38 118.20 2wuu h ARG 191 Ca 0.16 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2wuu h ARG 191 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2wuu h ARG 191 CO -0.06 0.55 -0.35 0.28 -1.07 0.00 0.00 179.97 179.32 2wuu h VAL 192 N 0.43 1.35 -0.00 2.04 2.07 -0.74 -3.09 116.25 118.32 2wuu h VAL 192 Ca 0.09 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2wuu h VAL 192 Cb 0.42 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2wuu h VAL 192 CO 0.02 0.49 -0.25 0.78 0.02 0.00 0.00 177.57 178.63 2wuu h ASN 193 N 0.14 0.00 0.44 0.57 2.35 -0.46 -0.77 115.58 117.85 2wuu h ASN 193 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wuu h ASN 193 Cb 0.95 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2wuu h ASN 193 CO 0.08 0.26 0.00 0.03 -1.65 0.00 0.00 177.43 176.14 2wuu h ARG 194 N 0.00 0.00 -0.54 0.81 2.47 -0.82 -0.16 114.38 116.15 2wuu h ARG 194 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wuu h ARG 194 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2wuu h ARG 194 CO 0.03 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.81 2wuu n THR 195 N -2.86 0.78 -2.80 2.04 -2.24 -0.32 -4.92 114.28 103.96 2wuu n THR 195 Ca -0.01 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 2wuu n THR 195 Cb 0.16 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2wuu n THR 195 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2wuu n ASN 196 N 1.00 -4.26 -4.32 3.42 5.15 -0.07 -5.04 115.26 111.13 2wuu n ASN 196 Ca 0.18 -0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 2wuu n ASN 196 Cb 0.47 -3.07 -0.16 0.00 -0.53 0.00 0.00 39.78 36.49 2wuu n ASN 196 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wuu s VAL 197 N -2.97 2.34 0.00 3.44 1.01 -1.09 -5.03 120.40 118.11 2wuu s VAL 197 Ca 0.21 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2wuu s VAL 197 Cb -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2wuu s VAL 197 CO 0.27 0.57 0.24 0.79 0.00 0.00 0.00 175.10 176.97 2wuu n TRP 198 N 2.82 0.00 -4.38 5.22 7.02 -1.26 -3.10 117.44 123.75 2wuu n TRP 198 Ca -0.17 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.10 2wuu n TRP 198 Cb 0.52 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.31 2wuu n TRP 198 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2wuu s GLN 199 N -0.04 1.43 0.11 -0.99 1.11 -1.26 -4.64 119.66 115.38 2wuu s GLN 199 Ca 0.00 -1.62 -0.04 0.00 0.01 0.00 0.00 55.36 53.71 2wuu s GLN 199 Cb 0.00 -1.34 -0.03 0.00 -1.01 0.00 0.00 33.01 30.63 2wuu s GLN 199 CO 0.00 0.24 0.10 0.00 0.01 0.00 0.00 175.29 175.63 2wuu s ALA 200 N -2.73 0.44 -0.01 6.09 0.00 -1.10 -2.63 121.76 121.81 2wuu s ALA 200 Ca 0.24 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 51.11 2wuu s ALA 200 Cb -0.03 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2wuu s ALA 200 CO 0.09 -0.49 -0.21 0.54 0.00 0.00 0.00 175.76 175.70 2wuu s VAL 201 N -3.97 1.64 0.21 0.00 0.11 -0.23 -0.61 120.40 117.55 2wuu s VAL 201 Ca 0.15 -0.94 -0.17 0.00 -2.93 0.00 0.00 61.98 58.10 2wuu s VAL 201 Cb 0.06 -1.37 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 2wuu s VAL 201 CO -0.04 0.42 0.53 -0.72 -3.33 0.00 0.00 175.10 171.96 2wuu s TYR 202 N -0.54 -0.04 0.19 1.54 -0.85 -0.57 -1.48 117.35 115.60 2wuu s TYR 202 Ca 0.08 -0.32 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 2wuu s TYR 202 Cb -0.08 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 2wuu s TYR 202 CO -0.00 -0.95 -0.05 0.95 -1.52 0.00 0.00 175.55 173.97 2wuu s THR 203 N -3.90 1.10 0.09 -3.49 -4.23 -1.26 -0.57 115.64 103.38 2wuu s THR 203 Ca 0.11 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.36 2wuu s THR 203 Cb -0.01 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.76 2wuu s THR 203 CO -0.00 -0.52 0.54 0.00 -0.54 0.00 0.00 174.62 174.10 2wuu s ALA 204 N -3.38 -1.38 -1.22 3.99 0.00 -0.56 -4.98 121.76 114.23 2wuu s ALA 204 Ca 0.23 0.49 0.29 0.00 0.00 0.00 0.00 51.96 52.97 2wuu s ALA 204 Cb 0.04 0.59 1.19 0.00 0.00 0.00 0.00 23.12 24.94 2wuu s ALA 204 CO 0.05 -0.61 1.86 0.41 0.00 0.00 0.00 175.76 177.47 2wuu n GLY 205 N 0.05 -1.30 3.81 0.00 0.00 -1.26 -0.76 105.19 105.73 2wuu n GLY 205 Ca -0.17 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2wuu n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wuu s VAL 206 N -2.80 3.90 -0.24 1.61 -7.23 -1.26 -4.66 120.40 109.72 2wuu s VAL 206 Ca 0.20 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 2wuu s VAL 206 Cb 0.19 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2wuu s VAL 206 CO 0.53 -0.27 0.47 -0.22 -0.31 0.00 0.00 175.10 175.30 2wuu s LEU 207 N -3.89 4.09 0.35 1.32 2.96 -1.26 -4.81 118.68 117.43 2wuu s LEU 207 Ca 0.36 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.85 2wuu s LEU 207 Cb -0.07 -2.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 2wuu s LEU 207 CO 0.25 -0.21 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.30 2wuu s LEU 208 N 1.96 2.58 -0.17 -0.68 1.43 -1.26 -5.11 118.68 117.44 2wuu s LEU 208 Ca 0.20 -1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 51.71 2wuu s LEU 208 Cb -0.15 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 2wuu s LEU 208 CO 0.09 -0.42 1.23 -2.84 0.23 0.00 0.00 176.35 174.64 2wuu s PRO 209 N -3.74 4.24 -0.14 1.29 0.02 -1.26 -3.92 135.00 131.49 2wuu s PRO 209 Ca 0.34 1.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.91 2wuu s PRO 209 Cb 0.07 -3.73 0.05 0.00 0.02 0.00 0.00 34.50 30.91 2wuu s PRO 209 CO 0.16 -0.68 0.33 0.99 -0.33 0.00 0.00 177.00 177.47 2wuu s THR 210 N 3.37 -0.03 0.54 0.99 2.01 -1.23 -4.75 115.64 116.55 2wuu s THR 210 Ca 0.53 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 2wuu s THR 210 Cb -0.21 -0.49 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 2wuu s THR 210 CO 0.14 0.05 1.09 -2.16 -0.69 0.00 0.00 174.62 173.05 2wuu s PRO 211 N 1.28 3.43 0.03 4.92 0.04 -1.25 -4.73 135.00 138.72 2wuu s PRO 211 Ca -0.09 1.46 0.23 0.00 0.04 0.00 0.00 61.00 62.64 2wuu s PRO 211 Cb -0.09 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.52 2wuu s PRO 211 CO -0.10 -0.75 1.08 2.48 0.04 0.00 0.00 177.00 179.75 2wuu n TYR 212 N -1.41 0.18 -3.47 0.56 0.18 0.11 -4.88 117.16 108.42 2wuu n TYR 212 Ca 0.10 0.05 -0.14 0.00 1.88 0.00 0.00 57.90 59.79 2wuu n TYR 212 Cb 0.52 -0.34 -0.04 0.00 -0.38 0.00 0.00 39.34 39.10 2wuu n TYR 212 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wuu s ALA 213 N -3.13 -1.63 -0.09 -3.48 0.00 -1.20 -1.04 121.76 111.18 2wuu s ALA 213 Ca 0.06 0.81 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 2wuu s ALA 213 Cb 0.15 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2wuu s ALA 213 CO 0.79 -0.59 0.22 0.45 0.00 0.00 0.00 175.76 176.63 2wuu s SER 214 N -2.09 -0.22 0.04 0.00 0.15 -1.26 -0.84 113.70 109.47 2wuu s SER 214 Ca -0.04 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.11 2wuu s SER 214 Cb -0.01 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2wuu s SER 214 CO -0.03 -0.14 -0.14 -0.83 1.20 0.00 0.00 173.24 173.30 2wuu s GLY 215 N 0.95 0.76 0.51 9.45 0.00 -0.11 -4.38 107.32 114.49 2wuu s GLY 215 Ca -0.07 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.67 2wuu s GLY 215 CO -0.06 -0.78 1.00 1.62 0.00 0.00 0.00 173.10 174.89 2wuu s GLN 216 N -1.10 3.86 0.47 2.90 0.74 -1.26 -0.34 119.66 124.94 2wuu s GLN 216 Ca 0.01 1.10 -0.20 0.00 0.05 0.00 0.00 55.36 56.32 2wuu s GLN 216 Cb -0.08 -2.12 -0.09 0.00 1.10 0.00 0.00 33.01 31.82 2wuu s GLN 216 CO 0.01 -0.35 1.02 0.71 -0.55 0.00 0.00 175.29 176.13 2wuu s TYR 217 N -2.40 3.08 0.05 1.67 2.02 -0.54 -1.93 117.35 119.30 2wuu s TYR 217 Ca 0.62 1.58 0.02 0.00 -0.37 0.00 0.00 57.07 58.92 2wuu s TYR 217 Cb -0.12 -3.01 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 2wuu s TYR 217 CO 0.27 -0.65 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.46 2wuu s PHE 218 N -2.04 0.70 0.04 2.71 0.08 0.27 -0.52 117.98 119.22 2wuu s PHE 218 Ca 0.66 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.12 2wuu s PHE 218 Cb -0.14 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2wuu s PHE 218 CO 0.18 -0.10 -0.04 -3.38 -0.10 0.00 0.00 175.22 171.78 2wuu s HIS 219 N -1.85 0.50 -0.11 0.36 -3.43 -0.20 -1.54 115.29 109.02 2wuu s HIS 219 Ca -0.06 -0.72 -0.02 0.00 -0.80 0.00 0.00 55.06 53.46 2wuu s HIS 219 Cb -0.07 -0.33 0.04 0.00 -1.43 0.00 0.00 32.58 30.79 2wuu s HIS 219 CO -0.01 -0.21 0.03 0.50 -2.00 0.00 0.00 174.74 173.05 2wuu s ARG 220 N -2.48 0.45 0.27 -0.38 3.00 0.78 -0.45 118.95 120.14 2wuu s ARG 220 Ca -0.05 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.73 54.37 2wuu s ARG 220 Cb -0.03 -1.32 -0.10 0.00 0.00 0.00 0.00 34.95 33.50 2wuu s ARG 220 CO -0.04 -0.44 1.44 -1.12 0.00 0.00 0.00 175.30 175.14 2wuu s SER 221 N 1.99 6.63 -0.12 -2.12 0.01 -1.26 -0.95 113.70 117.88 2wuu s SER 221 Ca 0.03 2.71 0.08 0.00 1.31 0.00 0.00 55.95 60.08 2wuu s SER 221 Cb -0.14 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.33 2wuu s SER 221 CO -0.06 -0.70 0.01 0.18 0.41 0.00 0.00 173.24 173.07 2wuu n LEU 222 N 2.03 0.52 -3.40 2.44 4.77 0.27 -4.79 117.00 118.84 2wuu n LEU 222 Ca 0.06 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 2wuu n LEU 222 Cb 0.40 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2wuu n LEU 222 CO 0.61 0.36 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.65 2wuu n ASN 223 N -2.50 1.28 0.25 -1.43 2.85 -0.78 -4.95 115.26 109.97 2wuu n ASN 223 Ca -0.19 -2.87 0.08 0.00 -0.11 0.00 0.00 54.58 51.48 2wuu n ASN 223 Cb 0.85 -0.64 0.61 0.00 1.24 0.00 0.00 39.78 41.83 2wuu n ASN 223 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wuu h PRO 224 N 4.65 0.00 -0.44 1.20 0.13 -1.87 -1.32 132.00 134.35 2wuu h PRO 224 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 2wuu h PRO 224 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 2wuu h PRO 224 CO 0.56 0.07 0.17 1.49 -0.23 0.00 0.00 178.00 180.07 2wuu h GLU 225 N 0.00 0.67 -0.22 0.86 4.81 -1.94 -0.50 114.58 118.26 2wuu h GLU 225 Ca -0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2wuu h GLU 225 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2wuu h GLU 225 CO 0.01 0.61 0.04 -0.22 -0.73 0.00 0.00 179.01 178.73 2wuu h LYS 226 N 0.58 0.36 -0.96 1.92 3.64 -1.84 -0.82 116.57 119.44 2wuu h LYS 226 Ca 0.15 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2wuu h LYS 226 Cb 0.20 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 2wuu h LYS 226 CO -0.01 0.49 0.61 -0.07 -2.27 0.00 0.00 179.45 178.20 2wuu h LEU 227 N 0.17 0.95 -0.25 5.20 3.38 -1.04 0.02 115.31 123.74 2wuu h LEU 227 Ca 0.07 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2wuu h LEU 227 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wuu h LEU 227 CO 0.00 0.58 -0.33 0.58 0.09 0.00 0.00 178.44 179.36 2wuu h VAL 228 N 1.07 1.31 -0.20 1.22 2.07 -0.93 -0.04 116.25 120.75 2wuu h VAL 228 Ca 0.44 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2wuu h VAL 228 Cb 0.26 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2wuu h VAL 228 CO -0.20 0.48 0.03 -0.33 0.02 0.00 0.00 177.57 177.57 2wuu h GLU 229 N 0.39 0.10 0.00 1.57 5.08 -0.34 -1.77 114.58 119.60 2wuu h GLU 229 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wuu h GLU 229 Cb 0.91 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2wuu h GLU 229 CO 0.08 0.07 0.00 0.44 -1.00 0.00 0.00 179.01 178.59 2wuu n ILE 230 N -5.10 0.00 -1.93 3.13 -5.35 -0.08 -4.88 119.36 105.15 2wuu n ILE 230 Ca -0.03 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 2wuu n ILE 230 Cb 0.09 -0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 37.56 2wuu n ILE 230 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2wuu n ARG 231 N -0.88 -1.03 0.07 6.28 1.74 -0.67 -4.90 116.66 117.27 2wuu n ARG 231 Ca 0.17 0.78 -0.18 0.00 -0.77 0.00 0.00 57.85 57.85 2wuu n ARG 231 Cb 0.08 -4.97 -0.10 0.00 -1.02 0.00 0.00 32.46 26.45 2wuu n ARG 231 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2wuu h PHE 232 N 0.00 0.85 -2.81 -1.55 3.57 -1.27 -3.46 116.94 112.27 2wuu h PHE 232 Ca -0.31 -0.50 -0.61 0.00 3.53 0.00 0.00 57.97 60.08 2wuu h PHE 232 Cb 1.10 -0.08 -0.16 0.00 2.79 0.00 0.00 35.95 39.60 2wuu h PHE 232 CO 0.37 1.34 -0.79 -1.12 -2.23 0.00 0.00 178.31 175.88 2wuu s SER 233 N -7.26 3.34 0.39 0.41 0.01 -0.90 -5.01 113.70 104.68 2wuu s SER 233 Ca -0.08 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.27 2wuu s SER 233 Cb 0.07 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.08 2wuu s SER 233 CO 0.91 0.05 0.23 0.61 0.41 0.00 0.00 173.24 175.44 2wuu n GLY 234 N -0.11 3.04 3.53 3.44 0.00 -1.26 -4.02 105.19 109.81 2wuu n GLY 234 Ca -0.09 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 2wuu n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wuu s ILE 235 N -2.04 5.19 0.65 -0.61 1.01 -1.26 -4.95 121.20 119.18 2wuu s ILE 235 Ca 0.17 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 2wuu s ILE 235 Cb -0.01 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2wuu s ILE 235 CO 0.11 -0.11 1.21 -2.65 0.00 0.00 0.00 174.94 173.51 2wuu n PRO 236 N 5.34 1.03 -0.33 2.79 -0.02 -1.26 -4.83 135.00 137.72 2wuu n PRO 236 Ca -0.10 0.41 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 2wuu n PRO 236 Cb 0.49 -2.45 0.29 0.00 -0.02 0.00 0.00 33.50 31.82 2wuu n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wuu h ALA 237 N 0.46 1.19 0.00 3.55 0.00 -2.01 0.17 119.26 122.62 2wuu h ALA 237 Ca -0.50 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wuu h ALA 237 Cb 1.35 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2wuu h ALA 237 CO 0.52 -0.57 0.00 1.96 0.00 0.00 0.00 179.25 181.17 2wuu h GLN 238 N 0.04 0.00 0.00 0.00 4.20 -2.04 -1.94 115.11 115.37 2wuu h GLN 238 Ca 0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.30 2wuu h GLN 238 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2wuu h GLN 238 CO -0.87 0.00 0.00 1.88 -0.67 0.00 0.00 178.83 179.17 2wuu h TYR 239 N 0.00 0.00 0.00 2.96 0.05 -1.30 -3.29 116.97 115.39 2wuu h TYR 239 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2wuu h TYR 239 Cb 0.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 2wuu h TYR 239 CO 0.00 0.00 -0.06 1.96 -1.05 0.00 0.00 178.16 179.01 2wuu h GLN 240 N 0.00 0.00 0.00 4.88 1.08 -1.23 -1.35 115.11 118.49 2wuu h GLN 240 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2wuu h GLN 240 Cb 0.88 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2wuu h GLN 240 CO 0.00 0.06 -0.08 1.57 -0.95 0.00 0.00 178.83 179.42 2wuu h LYS 241 N 0.00 0.00 -7.28 1.46 2.10 -1.68 -3.46 116.57 107.70 2wuu h LYS 241 Ca -0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 2wuu h LYS 241 Cb 0.28 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.73 2wuu h LYS 241 CO 0.01 0.08 0.34 -0.06 -2.00 0.00 0.00 179.45 177.82 2wuu s PHE 242 N -3.38 2.64 0.21 0.07 0.08 -0.51 -4.96 117.98 112.14 2wuu s PHE 242 Ca 0.04 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.58 2wuu s PHE 242 Cb 0.07 -3.07 0.18 0.00 -0.57 0.00 0.00 43.02 39.63 2wuu s PHE 242 CO 0.64 -1.71 1.69 0.37 -0.10 0.00 0.00 175.22 176.11 2wuu h GLN 243 N -0.74 0.96 -2.87 0.44 -0.00 -1.89 -3.34 115.11 107.68 2wuu h GLN 243 Ca -0.45 -0.29 -0.61 0.00 -0.00 0.00 0.00 58.65 57.31 2wuu h GLN 243 Cb 1.23 -0.10 -0.40 0.00 0.00 0.00 0.00 27.48 28.21 2wuu h GLN 243 CO 0.53 0.95 -0.73 1.21 0.00 0.00 0.00 178.83 180.78 2wuu s ASN 244 N -6.61 3.53 0.25 -0.69 3.84 -1.26 -5.00 114.94 109.00 2wuu s ASN 244 Ca -0.11 -3.29 -0.06 0.00 0.21 0.00 0.00 52.86 49.62 2wuu s ASN 244 Cb 0.14 -1.14 0.29 0.00 -0.55 0.00 0.00 41.25 39.99 2wuu s ASN 244 CO 0.84 -0.16 1.90 -0.65 -2.79 0.00 0.00 177.10 176.24 2wuu h PRO 245 N 5.85 1.20 -0.15 0.43 0.11 -1.75 -1.96 132.00 135.73 2wuu h PRO 245 Ca 0.13 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 2wuu h PRO 245 Cb 0.85 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2wuu h PRO 245 CO 0.56 0.80 -0.45 1.98 -0.21 0.00 0.00 178.00 180.67 2wuu h MET 246 N 1.24 0.36 -0.16 1.05 1.85 -1.94 -1.07 114.93 116.25 2wuu h MET 246 Ca 0.37 -0.19 -0.10 0.00 -0.61 0.00 0.00 59.70 59.17 2wuu h MET 246 Cb -0.04 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 2wuu h MET 246 CO -0.11 0.75 -0.35 0.00 -0.40 0.00 0.00 176.91 176.79 2wuu h ALA 247 N 1.23 1.10 -0.20 0.39 0.00 -1.85 0.11 119.26 120.03 2wuu h ALA 247 Ca 0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2wuu h ALA 247 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wuu h ALA 247 CO 0.08 0.57 -0.52 0.52 0.00 0.00 0.00 179.25 179.90 2wuu h MET 248 N 0.29 0.57 -0.20 0.00 2.86 -1.06 0.86 114.93 118.27 2wuu h MET 248 Ca 0.03 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 2wuu h MET 248 Cb 0.76 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2wuu h MET 248 CO 0.06 0.95 -0.11 1.25 1.06 0.00 0.00 176.91 180.12 2wuu h LEU 249 N 0.45 0.43 -0.64 1.22 5.85 -0.69 -0.79 115.31 121.14 2wuu h LEU 249 Ca 0.02 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2wuu h LEU 249 Cb 1.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2wuu h LEU 249 CO 0.10 0.76 0.41 0.11 -0.34 0.00 0.00 178.44 179.49 2wuu h LYS 250 N 0.11 0.81 -0.34 1.25 1.57 -0.73 -2.56 116.57 116.68 2wuu h LYS 250 Ca 0.04 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2wuu h LYS 250 Cb 0.61 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2wuu h LYS 250 CO 0.03 0.54 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.27 2wuu h ARG 251 N 0.84 -0.00 -1.00 3.15 2.43 -0.65 -0.73 114.38 118.41 2wuu h ARG 251 Ca 0.24 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.56 2wuu h ARG 251 Cb -0.06 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.39 2wuu h ARG 251 CO -0.07 -0.00 0.62 -0.97 -1.51 0.00 0.00 179.97 178.05 2wuu h ASN 252 N -0.00 0.86 -0.31 -3.80 -0.73 -0.75 -2.76 115.58 108.09 2wuu h ASN 252 Ca 0.16 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2wuu h ASN 252 Cb 0.25 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2wuu h ASN 252 CO -0.35 0.40 0.00 -1.22 -0.37 0.00 0.00 177.43 175.89 2wuu n TYR 253 N -4.68 0.41 -1.95 0.67 4.01 -1.03 -5.01 117.16 109.58 2wuu n TYR 253 Ca 0.21 -0.27 -0.40 0.00 -0.16 0.00 0.00 57.90 57.28 2wuu n TYR 253 Cb 0.45 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.48 2wuu n TYR 253 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2wuu s GLN 254 N -1.22 3.96 0.10 -0.72 0.74 -0.31 -4.89 119.66 117.33 2wuu s GLN 254 Ca 0.30 2.30 0.06 0.00 0.05 0.00 0.00 55.36 58.07 2wuu s GLN 254 Cb 0.17 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.45 2wuu s GLN 254 CO 0.24 -0.55 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.77 2wuu s LEU 255 N -2.38 2.35 0.85 3.68 1.43 -1.26 -5.07 118.68 118.29 2wuu s LEU 255 Ca 0.56 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2wuu s LEU 255 Cb -0.41 -0.59 0.08 0.00 0.03 0.00 0.00 46.19 45.30 2wuu s LEU 255 CO 0.54 -0.09 0.98 -2.65 0.23 0.00 0.00 176.35 175.36 2wuu n PRO 256 N 0.84 -0.04 0.16 1.29 -0.02 -1.26 -4.93 135.00 131.04 2wuu n PRO 256 Ca -0.18 0.06 0.02 0.00 -2.02 0.00 0.00 63.50 61.38 2wuu n PRO 256 Cb 0.56 -2.26 0.27 0.00 -0.02 0.00 0.00 33.50 32.05 2wuu n PRO 256 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2wuu h ASN 257 N -1.21 0.00 -5.02 2.55 2.35 -2.01 -3.46 115.58 108.79 2wuu h ASN 257 Ca -0.45 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.16 2wuu h ASN 257 Cb 1.29 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.47 2wuu h ASN 257 CO 0.42 0.49 -0.50 0.00 -1.65 0.00 0.00 177.43 176.19 2wuu s ALA 258 N -3.78 -0.25 0.65 -0.83 0.00 -1.26 -4.86 121.76 111.42 2wuu s ALA 258 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2wuu s ALA 258 Cb 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2wuu s ALA 258 CO 0.73 -0.25 1.06 -2.14 0.00 0.00 0.00 175.76 175.16 2wuu s PRO 259 N -1.78 3.12 -0.03 0.00 0.02 -1.26 -4.97 135.00 130.09 2wuu s PRO 259 Ca -0.12 1.06 0.15 0.00 0.02 0.00 0.00 61.00 62.11 2wuu s PRO 259 Cb -0.06 -2.01 0.46 0.00 0.02 0.00 0.00 34.50 32.91 2wuu s PRO 259 CO -0.00 -0.96 1.38 1.63 -0.33 0.00 0.00 177.00 178.72 2wuu n LYS 260 N -2.62 2.95 -3.00 5.54 5.02 -1.26 -4.94 118.16 119.85 2wuu n LYS 260 Ca 0.08 -2.38 -0.42 0.00 -2.02 0.00 0.00 58.31 53.57 2wuu n LYS 260 Cb 0.53 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 2wuu n LYS 260 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2wuu s ASN 261 N -1.08 6.56 0.30 4.39 0.01 -1.26 -5.01 114.94 118.85 2wuu s ASN 261 Ca 0.35 0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 52.64 2wuu s ASN 261 Cb 0.20 -2.38 -0.11 0.00 0.41 0.00 0.00 41.25 39.37 2wuu s ASN 261 CO 0.20 -0.63 1.48 -0.44 -1.51 0.00 0.00 177.10 176.20 2wuu s SER 262 N 1.73 6.52 0.00 -1.22 0.01 -1.26 -2.60 113.70 116.88 2wuu s SER 262 Ca 0.30 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.39 2wuu s SER 262 Cb -0.14 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2wuu s SER 262 CO 0.14 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2wuu n GLY 263 N 1.69 0.75 3.71 3.44 0.00 -1.26 -4.70 105.19 108.81 2wuu n GLY 263 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2wuu n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wuu s LEU 264 N 0.00 4.36 0.22 0.99 2.96 -1.07 -1.28 118.68 124.86 2wuu s LEU 264 Ca 0.00 1.67 -0.19 0.00 -0.22 0.00 0.00 54.13 55.39 2wuu s LEU 264 Cb 0.00 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.15 2wuu s LEU 264 CO 0.00 -0.29 0.59 0.00 -1.32 0.00 0.00 176.35 175.33 2wuu s ARG 265 N 1.10 1.51 0.46 1.98 1.70 -0.24 -5.00 118.95 120.45 2wuu s ARG 265 Ca 0.52 -0.90 -0.25 0.00 -0.47 0.00 0.00 55.73 54.64 2wuu s ARG 265 Cb -0.21 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 2wuu s ARG 265 CO 0.27 -0.66 1.34 -1.21 -1.08 0.00 0.00 175.30 173.96 2wuu s GLU 266 N -3.89 3.68 0.37 3.89 2.02 -1.26 -0.89 118.70 122.62 2wuu s GLU 266 Ca 0.10 2.22 -0.27 0.00 0.02 0.00 0.00 54.97 57.03 2wuu s GLU 266 Cb -0.02 -2.58 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 2wuu s GLU 266 CO 0.00 -0.75 1.31 1.41 0.02 0.00 0.00 175.26 177.25 2wuu s MET 267 N -2.50 4.18 0.34 1.61 -2.45 -0.26 -4.65 119.30 115.57 2wuu s MET 267 Ca 0.62 2.20 0.05 0.00 -1.25 0.00 0.00 55.69 57.31 2wuu s MET 267 Cb -0.39 -2.93 -0.07 0.00 1.25 0.00 0.00 34.83 32.69 2wuu s MET 267 CO 0.49 -0.33 0.03 -1.59 1.05 0.00 0.00 175.02 174.68 2wuu s LYS 268 N -2.00 1.72 0.39 4.11 -2.85 -1.26 -4.58 119.74 115.27 2wuu s LYS 268 Ca 0.52 -1.95 0.12 0.00 -1.00 0.00 0.00 55.97 53.66 2wuu s LYS 268 Cb -0.39 -1.10 0.92 0.00 -2.06 0.00 0.00 37.83 35.20 2wuu s LYS 268 CO 0.51 -0.13 1.90 -1.35 0.10 0.00 0.00 175.35 176.39 2wuu h PRO 269 N 2.05 0.56 0.00 1.78 0.11 -2.01 0.76 132.00 135.24 2wuu h PRO 269 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wuu h PRO 269 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wuu h PRO 269 CO 0.72 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.75 2wuu n SER 270 N -4.52 0.40 -0.06 -2.05 3.41 -1.26 -1.97 113.62 107.57 2wuu n SER 270 Ca 0.15 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 2wuu n SER 270 Cb 0.47 -0.70 0.48 0.00 -0.26 0.00 0.00 64.21 64.21 2wuu n SER 270 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wuu n ASP 271 N -1.97 0.40 -0.11 4.04 8.00 0.26 -4.41 116.55 122.77 2wuu n ASP 271 Ca 0.01 -0.23 -0.05 0.00 0.71 0.00 0.00 54.79 55.23 2wuu n ASP 271 Cb 0.14 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 2wuu n ASP 271 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2wuu h VAL 272 N 0.30 0.64 -0.94 2.53 2.07 -1.51 -0.71 116.25 118.63 2wuu h VAL 272 Ca 0.00 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2wuu h VAL 272 Cb 0.45 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2wuu h VAL 272 CO 0.00 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 177.57 2wuu h PRO 273 N 0.00 1.24 -0.08 1.57 0.11 -1.84 0.90 132.00 133.91 2wuu h PRO 273 Ca 0.18 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.98 2wuu h PRO 273 Cb 0.27 -0.28 0.01 0.00 0.11 0.00 0.00 31.00 31.11 2wuu h PRO 273 CO -0.38 0.82 -0.88 1.96 -0.21 0.00 0.00 178.00 179.32 2wuu h GLN 274 N 1.27 0.67 -0.54 1.05 4.20 -1.74 -1.77 115.11 118.26 2wuu h GLN 274 Ca 0.35 -0.62 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 2wuu h GLN 274 Cb -0.14 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2wuu h GLN 274 CO -0.08 1.22 0.33 0.28 -0.67 0.00 0.00 178.83 179.92 2wuu h VAL 275 N 0.43 1.16 -0.42 -0.54 2.07 -0.88 -1.44 116.25 116.62 2wuu h VAL 275 Ca -0.08 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2wuu h VAL 275 Cb 1.51 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2wuu h VAL 275 CO 0.17 0.16 0.17 -0.09 0.02 0.00 0.00 177.57 178.00 2wuu h ARG 276 N 0.72 0.34 -0.36 1.57 2.43 -0.69 0.54 114.38 118.94 2wuu h ARG 276 Ca 0.19 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2wuu h ARG 276 Cb -0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2wuu h ARG 276 CO -0.04 0.23 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.54 2wuu h ARG 277 N 0.35 0.65 -0.08 0.20 2.43 -0.99 -0.59 114.38 116.35 2wuu h ARG 277 Ca 0.19 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2wuu h ARG 277 Cb 0.15 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2wuu h ARG 277 CO -0.17 0.77 -0.54 -0.84 -1.51 0.00 0.00 179.97 177.68 2wuu h ILE 278 N 0.46 1.37 -0.21 1.20 3.07 -1.07 -0.60 117.51 121.72 2wuu h ILE 278 Ca 0.10 -1.84 -0.07 0.00 1.55 0.00 0.00 64.86 64.60 2wuu h ILE 278 Cb 0.49 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 38.94 2wuu h ILE 278 CO 0.02 0.54 -0.13 0.25 -1.05 0.00 0.00 178.15 177.78 2wuu h LEU 279 N 0.17 0.48 -0.84 0.16 5.85 -0.78 -2.48 115.31 117.87 2wuu h LEU 279 Ca 0.00 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 2wuu h LEU 279 Cb 1.01 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2wuu h LEU 279 CO 0.08 0.81 -0.05 0.24 -0.34 0.00 0.00 178.44 179.19 2wuu h MET 280 N 0.16 0.81 -0.78 1.25 2.86 -0.92 0.64 114.93 118.94 2wuu h MET 280 Ca 0.04 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2wuu h MET 280 Cb 0.65 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2wuu h MET 280 CO 0.04 0.85 0.52 -0.91 1.06 0.00 0.00 176.91 178.46 2wuu h ASN 281 N 0.75 0.90 -0.07 1.22 2.35 -1.06 -1.75 115.58 117.92 2wuu h ASN 281 Ca 0.14 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2wuu h ASN 281 Cb 0.52 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2wuu h ASN 281 CO 0.03 0.65 -0.23 0.22 -1.65 0.00 0.00 177.43 176.45 2wuu h TYR 282 N 1.06 0.36 0.00 1.19 3.20 -0.94 -3.29 116.97 118.55 2wuu h TYR 282 Ca 0.29 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2wuu h TYR 282 Cb -0.12 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2wuu h TYR 282 CO 0.00 0.85 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.13 2wuu h LEU 283 N -0.23 0.00 -1.66 2.82 3.38 -0.66 -2.11 115.31 116.86 2wuu h LEU 283 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wuu h LEU 283 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2wuu h LEU 283 CO 0.05 0.17 0.03 0.44 0.09 0.00 0.00 178.44 179.21 2wuu h ASP 284 N 0.00 0.00 -0.42 -0.43 3.32 -1.39 -1.80 116.42 115.70 2wuu h ASP 284 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wuu h ASP 284 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2wuu h ASP 284 CO 0.02 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 2wuu n ASN 285 N -2.39 2.30 -4.61 6.45 3.02 -0.79 -4.85 115.26 114.39 2wuu n ASN 285 Ca -0.02 -2.01 -0.29 0.00 -0.03 0.00 0.00 54.58 52.23 2wuu n ASN 285 Cb 0.07 -0.29 -0.09 0.00 -0.61 0.00 0.00 39.78 38.86 2wuu n ASN 285 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wuu s PHE 286 N -1.45 2.78 0.17 3.10 0.08 -0.68 -5.04 117.98 116.94 2wuu s PHE 286 Ca 0.28 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 57.06 2wuu s PHE 286 Cb 0.15 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 41.25 2wuu s PHE 286 CO 0.19 0.46 1.79 -0.44 -0.10 0.00 0.00 175.22 177.13 2wuu h ASP 287 N 3.31 0.67 -3.26 1.36 3.32 -1.72 -3.41 116.42 116.68 2wuu h ASP 287 Ca -0.48 -0.08 -0.63 0.00 0.02 0.00 0.00 57.03 55.87 2wuu h ASP 287 Cb 1.18 -0.17 -0.34 0.00 0.22 0.00 0.00 39.33 40.22 2wuu h ASP 287 CO 0.55 0.55 -0.85 -0.69 -1.72 0.00 0.00 179.24 177.07 2wuu s VAL 288 N -5.92 1.77 -0.11 -1.35 1.01 -0.96 -4.32 120.40 110.52 2wuu s VAL 288 Ca -0.13 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 60.71 2wuu s VAL 288 Cb 0.12 -1.58 0.12 0.00 0.00 0.00 0.00 36.38 35.05 2wuu s VAL 288 CO 0.76 0.49 1.13 -0.83 0.00 0.00 0.00 175.10 176.65 2wuu s GLY 289 N 0.81 -0.35 0.42 4.51 0.00 -1.03 -0.06 107.32 111.62 2wuu s GLY 289 Ca -0.09 1.26 -0.14 0.00 0.00 0.00 0.00 44.72 45.75 2wuu s GLY 289 CO 0.00 0.40 0.83 2.56 0.00 0.00 0.00 173.10 176.90 2wuu s PRO 290 N -2.63 3.92 -0.15 2.90 0.04 -1.26 -0.60 135.00 137.22 2wuu s PRO 290 Ca 0.09 0.70 -0.02 0.00 0.04 0.00 0.00 61.00 61.81 2wuu s PRO 290 Cb -0.00 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2wuu s PRO 290 CO -0.05 -0.05 -0.08 0.08 0.04 0.00 0.00 177.00 176.94 2wuu s VAL 291 N -2.33 3.44 -0.10 -0.36 1.01 0.09 -4.86 120.40 117.29 2wuu s VAL 291 Ca 0.55 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2wuu s VAL 291 Cb -0.10 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2wuu s VAL 291 CO 0.26 0.50 -0.20 -0.36 0.00 0.00 0.00 175.10 175.30 2wuu s PHE 292 N 0.51 2.63 0.95 5.22 0.08 -1.26 -4.37 117.98 121.75 2wuu s PHE 292 Ca -0.06 -0.86 -0.13 0.00 0.12 0.00 0.00 56.93 56.00 2wuu s PHE 292 Cb -0.15 -1.74 0.16 0.00 -0.57 0.00 0.00 43.02 40.72 2wuu s PHE 292 CO 0.03 -0.31 1.14 -1.54 -0.10 0.00 0.00 175.22 174.44 2wuu s SER 293 N 0.26 3.11 0.25 1.36 1.04 -1.26 -4.81 113.70 113.65 2wuu s SER 293 Ca -0.14 0.92 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 2wuu s SER 293 Cb -0.17 -1.44 0.31 0.00 0.10 0.00 0.00 66.02 64.82 2wuu s SER 293 CO 0.07 -2.79 1.89 0.44 0.98 0.00 0.00 173.24 173.83 2wuu h ASP 294 N -1.67 1.02 -0.60 7.02 3.32 -1.99 0.52 116.42 124.04 2wuu h ASP 294 Ca -0.50 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 2wuu h ASP 294 Cb 1.32 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2wuu h ASP 294 CO 0.57 0.70 0.32 0.00 -1.72 0.00 0.00 179.24 179.11 2wuu h ALA 295 N 1.39 1.39 -0.32 3.45 0.00 -1.99 0.22 119.26 123.40 2wuu h ALA 295 Ca 0.38 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2wuu h ALA 295 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wuu h ALA 295 CO -0.13 0.49 -0.45 0.93 0.00 0.00 0.00 179.25 180.09 2wuu h GLU 296 N 0.87 0.84 -0.46 0.00 5.08 -1.73 -0.29 114.58 118.90 2wuu h GLU 296 Ca 0.22 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2wuu h GLU 296 Cb 0.06 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2wuu h GLU 296 CO -0.03 1.12 0.25 0.82 -1.00 0.00 0.00 179.01 180.16 2wuu h ILE 297 N 0.67 1.01 -0.19 3.13 1.08 -0.52 0.40 117.51 123.09 2wuu h ILE 297 Ca 0.04 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2wuu h ILE 297 Cb 1.04 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 2wuu h ILE 297 CO 0.10 0.09 0.12 -1.28 -0.69 0.00 0.00 178.15 176.50 2wuu h SER 298 N 0.50 0.23 0.29 1.72 0.87 -0.77 0.04 113.55 116.43 2wuu h SER 298 Ca 0.19 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2wuu h SER 298 Cb 0.06 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2wuu h SER 298 CO -0.11 0.18 -0.14 -0.74 -0.53 0.00 0.00 176.83 175.49 2wuu h HIS 299 N 0.25 -0.36 0.00 2.24 -0.00 -0.76 -1.97 115.15 114.55 2wuu h HIS 299 Ca 0.07 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 2wuu h HIS 299 Cb -0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2wuu h HIS 299 CO -0.06 -0.21 -0.26 1.88 -0.00 0.00 0.00 177.93 179.28 2wuu h TYR 300 N -0.41 0.00 0.00 5.26 0.05 -0.88 -3.39 116.97 117.60 2wuu h TYR 300 Ca -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 2wuu h TYR 300 Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 2wuu h TYR 300 CO -0.05 0.26 -1.15 1.28 -1.05 0.00 0.00 178.16 177.45 2wuu n LEU 301 N -3.18 0.00 -4.77 3.88 4.77 -0.01 -5.00 117.00 112.70 2wuu n LEU 301 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 2wuu n LEU 301 Cb 0.62 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 2wuu n LEU 301 CO 0.37 0.01 0.99 -0.76 -1.33 0.00 0.00 177.39 176.67 2wuu s LEU 302 N -3.39 4.30 0.36 2.23 1.43 -0.74 -4.48 118.68 118.39 2wuu s LEU 302 Ca -0.01 2.71 -0.27 0.00 -1.03 0.00 0.00 54.13 55.54 2wuu s LEU 302 Cb 0.02 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 2wuu s LEU 302 CO 0.12 -0.74 1.14 -2.65 0.23 0.00 0.00 176.35 174.45 2wuu n PRO 303 N 0.40 1.69 -3.61 1.29 -0.02 -1.26 -4.83 135.00 128.65 2wuu n PRO 303 Ca 0.02 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.94 2wuu n PRO 303 Cb 0.42 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 2wuu n PRO 303 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wuu s ARG 304 N -1.88 0.13 -0.00 -0.52 3.52 -0.30 -4.96 118.95 114.95 2wuu s ARG 304 Ca 0.59 0.54 -0.36 0.00 -0.13 0.00 0.00 55.73 56.38 2wuu s ARG 304 Cb -0.59 -0.44 -0.14 0.00 -1.56 0.00 0.00 34.95 32.22 2wuu s ARG 304 CO 0.60 -0.40 1.63 -0.25 -0.81 0.00 0.00 175.30 176.07 2wuu n ASP 305 N 5.34 2.73 0.00 -2.12 8.00 -1.26 -0.80 116.55 128.44 2wuu n ASP 305 Ca -0.05 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2wuu n ASP 305 Cb 0.50 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 2wuu n ASP 305 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wuu n GLY 306 N 3.61 1.77 1.50 0.44 0.00 -1.26 -4.76 105.19 106.50 2wuu n GLY 306 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2wuu n GLY 306 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wuu n VAL 307 N -2.00 0.37 -4.52 1.61 0.31 0.02 -4.64 118.33 109.48 2wuu n VAL 307 Ca 0.00 0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 64.23 2wuu n VAL 307 Cb 0.00 -0.83 -0.14 0.00 -0.91 0.00 0.00 33.84 31.96 2wuu n VAL 307 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wuu s VAL 308 N -1.58 1.28 -0.07 2.52 1.01 -0.52 -0.58 120.40 122.47 2wuu s VAL 308 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2wuu s VAL 308 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2wuu s VAL 308 CO 0.00 0.14 -0.05 -0.36 0.00 0.00 0.00 175.10 174.83 2wuu s PHE 309 N -0.71 0.98 -0.06 5.22 0.08 -0.26 -1.15 117.98 122.08 2wuu s PHE 309 Ca 0.04 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 2wuu s PHE 309 Cb -0.08 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2wuu s PHE 309 CO 0.01 -0.32 0.15 0.99 -0.10 0.00 0.00 175.22 175.95 2wuu s THR 310 N 1.39 -0.03 0.02 0.64 2.01 -1.26 -1.05 115.64 117.36 2wuu s THR 310 Ca -0.03 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.12 2wuu s THR 310 Cb -0.13 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2wuu s THR 310 CO -0.03 0.05 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.51 2wuu s TYR 311 N 0.77 1.12 0.17 4.92 2.02 -0.18 -1.11 117.35 125.07 2wuu s TYR 311 Ca -0.06 -0.31 0.10 0.00 -0.37 0.00 0.00 57.07 56.44 2wuu s TYR 311 Cb -0.08 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 2wuu s TYR 311 CO -0.04 0.01 -0.20 0.14 -1.57 0.00 0.00 175.55 173.89 2wuu s VAL 312 N -0.69 2.61 -0.30 0.71 -7.23 -0.07 -1.03 120.40 114.40 2wuu s VAL 312 Ca 0.02 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 2wuu s VAL 312 Cb -0.07 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2wuu s VAL 312 CO 0.01 -0.06 0.19 -0.69 -0.31 0.00 0.00 175.10 174.23 2wuu s VAL 313 N -1.54 5.03 -0.03 1.32 1.01 0.26 -1.08 120.40 125.38 2wuu s VAL 313 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2wuu s VAL 313 Cb -0.09 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2wuu s VAL 313 CO 0.11 0.13 -0.03 -0.70 0.00 0.00 0.00 175.10 174.60 2wuu s GLU 314 N 1.70 0.53 -0.00 2.72 -6.30 -0.41 -0.78 118.70 116.15 2wuu s GLU 314 Ca 0.06 -0.07 -0.03 0.00 -2.50 0.00 0.00 54.97 52.43 2wuu s GLU 314 Cb -0.17 -0.58 -0.00 0.00 0.00 0.00 0.00 34.13 33.38 2wuu s GLU 314 CO 0.09 -0.03 0.06 -0.80 0.02 0.00 0.00 175.26 174.59 2wuu s ASN 315 N 0.60 0.07 -1.51 -1.70 0.01 -0.85 -4.46 114.94 107.11 2wuu s ASN 315 Ca -0.07 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 2wuu s ASN 315 Cb -0.10 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.71 2wuu s ASN 315 CO -0.00 -0.23 0.00 0.47 -1.51 0.00 0.00 177.10 175.82 2wuu n ASP 316 N 2.01 -4.74 -0.27 -1.22 8.00 -1.26 -1.30 116.55 117.78 2wuu n ASP 316 Ca -0.20 0.18 -0.04 0.00 0.71 0.00 0.00 54.79 55.45 2wuu n ASP 316 Cb 0.57 -4.06 -0.02 0.00 -0.02 0.00 0.00 41.12 37.59 2wuu n ASP 316 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wuu n LYS 317 N -2.68 -0.64 -3.97 -1.24 4.76 -1.26 -5.01 118.16 108.13 2wuu n LYS 317 Ca -0.19 0.45 -0.34 0.00 -2.87 0.00 0.00 58.31 55.36 2wuu n LYS 317 Cb 0.62 -4.12 -0.15 0.00 -1.84 0.00 0.00 35.03 29.54 2wuu n LYS 317 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2wuu s LYS 318 N -1.61 3.22 -0.22 1.97 2.20 -0.42 -5.09 119.74 119.80 2wuu s LYS 318 Ca 0.00 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 2wuu s LYS 318 Cb 0.00 -2.89 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2wuu s LYS 318 CO 0.00 -0.22 1.02 0.08 -0.36 0.00 0.00 175.35 175.87 2wuu s VAL 319 N 1.42 4.70 -0.24 4.02 1.01 -1.26 -2.01 120.40 128.04 2wuu s VAL 319 Ca 0.05 2.00 0.11 0.00 0.00 0.00 0.00 61.98 64.15 2wuu s VAL 319 Cb -0.14 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.79 2wuu s VAL 319 CO -0.06 -0.16 0.35 0.35 0.00 0.00 0.00 175.10 175.58 2wuu n THR 320 N 5.24 0.00 -3.68 3.92 -2.24 0.04 -4.95 114.28 112.61 2wuu n THR 320 Ca 0.11 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 2wuu n THR 320 Cb 0.46 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 2wuu n THR 320 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wuu s ASP 321 N -2.76 -0.21 0.11 3.42 1.01 -1.19 -2.64 116.67 114.40 2wuu s ASP 321 Ca -0.01 -0.39 -0.25 0.00 0.71 0.00 0.00 52.55 52.61 2wuu s ASP 321 Cb 0.08 0.49 0.07 0.00 1.01 0.00 0.00 42.92 44.56 2wuu s ASP 321 CO 0.47 -0.89 0.62 0.72 0.21 0.00 0.00 175.17 176.30 2wuu s PHE 322 N -3.83 -0.56 0.05 4.23 -0.12 -0.38 -0.57 117.98 116.78 2wuu s PHE 322 Ca 0.05 0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 57.41 2wuu s PHE 322 Cb 0.02 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 2wuu s PHE 322 CO -0.10 -0.79 0.04 -0.59 -0.05 0.00 0.00 175.22 173.74 2wuu s PHE 323 N -3.12 0.32 0.03 3.49 -0.12 -0.20 -1.25 117.98 117.12 2wuu s PHE 323 Ca -0.02 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 2wuu s PHE 323 Cb -0.01 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2wuu s PHE 323 CO -0.07 -0.37 -0.04 0.45 -0.05 0.00 0.00 175.22 175.14 2wuu s SER 324 N -2.41 0.42 0.02 1.98 0.15 -0.14 -1.01 113.70 112.71 2wuu s SER 324 Ca -0.01 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 2wuu s SER 324 Cb 0.02 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.38 2wuu s SER 324 CO -0.07 -0.25 0.01 0.72 1.20 0.00 0.00 173.24 174.84 2wuu s PHE 325 N -1.36 0.24 0.26 3.44 -0.12 -0.21 -0.64 117.98 119.60 2wuu s PHE 325 Ca -0.13 -0.50 0.10 0.00 -0.05 0.00 0.00 56.93 56.34 2wuu s PHE 325 Cb -0.09 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 2wuu s PHE 325 CO -0.01 -0.23 -0.04 1.52 -0.05 0.00 0.00 175.22 176.41 2wuu s TYR 326 N -1.70 2.63 -0.15 3.49 -0.85 -0.43 -1.10 117.35 119.23 2wuu s TYR 326 Ca -0.13 -0.24 -0.04 0.00 -0.52 0.00 0.00 57.07 56.14 2wuu s TYR 326 Cb -0.08 -1.16 -0.03 0.00 0.38 0.00 0.00 41.96 41.07 2wuu s TYR 326 CO -0.01 0.63 -0.02 0.50 -1.52 0.00 0.00 175.55 175.13 2wuu s ARG 327 N -3.61 3.63 -0.22 -3.49 3.52 0.25 -0.06 118.95 118.98 2wuu s ARG 327 Ca 0.31 -0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 55.42 2wuu s ARG 327 Cb -0.06 -2.94 0.06 0.00 -1.56 0.00 0.00 34.95 30.45 2wuu s ARG 327 CO 0.19 0.31 -0.01 0.42 -0.81 0.00 0.00 175.30 175.40 2wuu s ILE 328 N 0.20 1.06 0.49 4.11 1.01 -0.83 -4.79 121.20 122.45 2wuu s ILE 328 Ca -0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 2wuu s ILE 328 Cb -0.13 -1.45 -0.07 0.00 0.01 0.00 0.00 42.46 40.81 2wuu s ILE 328 CO 0.02 -0.17 0.92 -2.16 0.00 0.00 0.00 174.94 173.55 2wuu s PRO 329 N 1.61 3.85 -0.04 2.79 0.04 -1.26 -3.09 135.00 138.90 2wuu s PRO 329 Ca -0.03 0.77 0.04 0.00 0.04 0.00 0.00 61.00 61.82 2wuu s PRO 329 Cb -0.18 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 2wuu s PRO 329 CO -0.08 -0.23 -0.16 -1.12 0.04 0.00 0.00 177.00 175.45 2wuu s SER 330 N -3.24 2.03 0.19 6.66 0.01 0.03 -0.60 113.70 118.78 2wuu s SER 330 Ca 0.56 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 2wuu s SER 330 Cb -0.10 -0.54 -0.09 0.00 0.21 0.00 0.00 66.02 65.49 2wuu s SER 330 CO 0.34 0.15 1.37 -0.89 0.41 0.00 0.00 173.24 174.61 2wuu s THR 331 N 0.03 3.06 -0.24 1.44 2.01 0.37 -1.02 115.64 121.29 2wuu s THR 331 Ca -0.03 0.85 -0.16 0.00 0.31 0.00 0.00 61.69 62.66 2wuu s THR 331 Cb -0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2wuu s THR 331 CO 0.02 0.12 0.40 -0.69 -0.69 0.00 0.00 174.62 173.77 2wuu s VAL 332 N 0.31 5.17 0.00 3.82 1.01 -1.26 -1.19 120.40 128.27 2wuu s VAL 332 Ca 0.59 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2wuu s VAL 332 Cb -0.38 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2wuu s VAL 332 CO 0.38 0.19 1.41 -0.38 0.00 0.00 0.00 175.10 176.69 2wuu n ILE 333 N 4.81 1.41 -4.77 2.22 5.41 0.26 -4.99 119.36 123.71 2wuu n ILE 333 Ca -0.08 -0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.01 2wuu n ILE 333 Cb 0.51 -1.31 -0.13 0.00 -0.71 0.00 0.00 39.64 37.99 2wuu n ILE 333 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2wuu s ILE 340 N 0.46 3.23 -0.41 1.39 1.01 -1.26 -5.10 121.20 120.53 2wuu s ILE 340 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 2wuu s ILE 340 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2wuu s ILE 340 CO 0.00 0.56 0.67 -0.22 0.00 0.00 0.00 174.94 175.95 2wuu s LEU 341 N -0.30 4.37 -0.36 2.97 2.96 -0.19 -4.96 118.68 123.18 2wuu s LEU 341 Ca 0.03 -0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.65 2wuu s LEU 341 Cb -0.13 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.77 2wuu s LEU 341 CO 0.03 -0.74 0.45 0.20 -1.32 0.00 0.00 176.35 174.98 2wuu s ASN 342 N 1.95 6.25 -0.13 3.68 0.01 -1.26 -0.79 114.94 124.65 2wuu s ASN 342 Ca 0.25 -0.18 -0.04 0.00 -0.71 0.00 0.00 52.86 52.17 2wuu s ASN 342 Cb -0.14 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 2wuu s ASN 342 CO 0.18 -0.45 0.01 0.00 -1.51 0.00 0.00 177.10 175.33 2wuu s ALA 343 N 2.24 3.28 -0.13 0.60 0.00 -1.18 -0.33 121.76 126.24 2wuu s ALA 343 Ca 0.16 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 2wuu s ALA 343 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2wuu s ALA 343 CO 0.13 0.40 0.08 0.00 0.00 0.00 0.00 175.76 176.38 2wuu s ALA 344 N -0.30 3.58 -0.17 0.00 0.00 -0.15 -1.96 121.76 122.76 2wuu s ALA 344 Ca 0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2wuu s ALA 344 Cb -0.12 -1.84 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 2wuu s ALA 344 CO 0.02 0.47 -0.12 0.71 0.00 0.00 0.00 175.76 176.83 2wuu s TYR 345 N -0.54 2.84 0.23 0.00 2.02 0.92 0.01 117.35 122.83 2wuu s TYR 345 Ca 0.11 -1.01 -0.31 0.00 -0.37 0.00 0.00 57.07 55.49 2wuu s TYR 345 Cb -0.12 -1.94 -0.11 0.00 -0.40 0.00 0.00 41.96 39.39 2wuu s TYR 345 CO 0.02 -0.48 1.64 0.08 -1.57 0.00 0.00 175.55 175.24 2wuu s VAL 346 N 0.96 2.19 0.00 0.71 1.01 -0.49 -1.32 120.40 123.46 2wuu s VAL 346 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2wuu s VAL 346 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2wuu s VAL 346 CO -0.02 0.02 0.00 1.57 0.00 0.00 0.00 175.10 176.67 2wuu n HIS 347 N 3.36 0.00 -2.80 5.22 -0.00 0.19 -4.89 115.22 116.30 2wuu n HIS 347 Ca 0.13 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.03 2wuu n HIS 347 Cb 0.37 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.23 2wuu n HIS 347 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2wuu s TYR 348 N 4.01 3.53 0.20 1.57 2.02 -1.26 -4.86 117.35 122.56 2wuu s TYR 348 Ca 0.00 0.83 -0.23 0.00 -0.37 0.00 0.00 57.07 57.30 2wuu s TYR 348 Cb 0.00 -2.30 0.05 0.00 -0.40 0.00 0.00 41.96 39.32 2wuu s TYR 348 CO 0.00 -0.17 0.67 1.52 -1.57 0.00 0.00 175.55 176.00 2wuu s TYR 349 N -2.56 -0.39 -0.22 2.71 -0.85 -1.26 -0.97 117.35 113.80 2wuu s TYR 349 Ca 0.48 0.09 -0.12 0.00 -0.52 0.00 0.00 57.07 56.99 2wuu s TYR 349 Cb -0.10 0.62 0.07 0.00 0.38 0.00 0.00 41.96 42.92 2wuu s TYR 349 CO 0.40 -0.98 0.54 0.00 -1.52 0.00 0.00 175.55 173.99 2wuu s ALA 350 N -3.77 -1.43 -0.13 9.51 0.00 -0.38 -4.90 121.76 120.65 2wuu s ALA 350 Ca 0.05 1.94 0.01 0.00 0.00 0.00 0.00 51.96 53.96 2wuu s ALA 350 Cb -0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2wuu s ALA 350 CO -0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 175.76 175.24 2wuu s ALA 351 N 1.50 2.52 0.00 0.00 0.00 -1.26 -1.26 121.76 123.26 2wuu s ALA 351 Ca -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2wuu s ALA 351 Cb -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2wuu s ALA 351 CO -0.16 0.21 0.00 0.25 0.00 0.00 0.00 175.76 176.06 2wuu n THR 352 N 3.61 0.00 0.36 0.00 -2.24 -1.08 -4.86 114.28 110.06 2wuu n THR 352 Ca -0.18 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.49 2wuu n THR 352 Cb 0.53 0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2wuu n THR 352 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wuu n SER 353 N -0.72 1.03 -3.68 3.42 3.41 -1.26 -5.04 113.62 110.78 2wuu n SER 353 Ca 0.00 -1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 57.49 2wuu n SER 353 Cb 0.00 0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 2wuu n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wuu s MET 354 N -1.22 1.16 0.57 4.33 0.00 -1.26 -5.14 119.30 117.73 2wuu s MET 354 Ca 0.06 -0.77 -0.20 0.00 0.00 0.00 0.00 55.69 54.78 2wuu s MET 354 Cb 0.06 0.48 -0.04 0.00 0.00 0.00 0.00 34.83 35.33 2wuu s MET 354 CO 0.21 -0.46 1.23 -2.14 0.00 0.00 0.00 175.02 173.86 2wuu s PRO 355 N -3.83 3.06 0.31 3.16 0.02 -1.26 -4.87 135.00 131.58 2wuu s PRO 355 Ca 0.05 1.91 0.04 0.00 0.02 0.00 0.00 61.00 63.02 2wuu s PRO 355 Cb 0.01 -2.03 0.66 0.00 0.02 0.00 0.00 34.50 33.16 2wuu s PRO 355 CO -0.09 -1.16 1.84 1.25 -0.33 0.00 0.00 177.00 178.51 2wuu h LEU 356 N 1.09 0.83 -1.69 -5.54 5.85 -2.00 -0.83 115.31 113.01 2wuu h LEU 356 Ca -0.50 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2wuu h LEU 356 Cb 1.30 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2wuu h LEU 356 CO 0.56 0.41 -0.09 1.12 -0.34 0.00 0.00 178.44 180.10 2wuu h HIS 357 N 0.87 0.08 -0.36 1.25 2.07 -1.91 -0.25 115.15 116.90 2wuu h HIS 357 Ca 0.49 -0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.98 2wuu h HIS 357 Cb 0.62 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 30.56 2wuu h HIS 357 CO -0.00 0.18 0.12 0.37 -3.07 0.00 0.00 177.93 175.52 2wuu h GLN 358 N 0.08 0.56 -0.43 5.12 4.15 -1.52 -0.48 115.11 122.59 2wuu h GLN 358 Ca 0.02 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 2wuu h GLN 358 Cb 0.22 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2wuu h GLN 358 CO 0.01 0.57 0.14 1.25 -1.93 0.00 0.00 178.83 178.88 2wuu h LEU 359 N 0.43 0.61 -0.47 -2.39 5.85 -0.99 -2.03 115.31 116.33 2wuu h LEU 359 Ca 0.12 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 2wuu h LEU 359 Cb 0.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2wuu h LEU 359 CO -0.00 0.65 -0.76 0.40 -0.34 0.00 0.00 178.44 178.38 2wuu h ILE 360 N 0.55 1.52 -0.52 4.05 1.08 -1.06 -1.95 117.51 121.18 2wuu h ILE 360 Ca 0.14 -2.53 0.07 0.00 -0.39 0.00 0.00 64.86 62.15 2wuu h ILE 360 Cb 0.24 2.37 -0.06 0.00 -3.07 0.00 0.00 36.82 36.30 2wuu h ILE 360 CO -0.01 0.73 0.19 0.25 -0.69 0.00 0.00 178.15 178.62 2wuu h LEU 361 N 0.04 0.19 -1.28 1.44 5.85 -0.87 -0.02 115.31 120.65 2wuu h LEU 361 Ca -0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wuu h LEU 361 Cb 1.35 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2wuu h LEU 361 CO 0.10 0.13 0.45 0.44 -0.34 0.00 0.00 178.44 179.23 2wuu h ASP 362 N 0.37 0.82 -0.31 1.25 3.32 -0.71 0.26 116.42 121.42 2wuu h ASP 362 Ca 0.25 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2wuu h ASP 362 Cb 0.28 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2wuu h ASP 362 CO -0.26 0.61 0.16 0.25 -1.72 0.00 0.00 179.24 178.28 2wuu h LEU 363 N 0.96 0.25 -0.50 1.55 6.46 -0.64 0.18 115.31 123.56 2wuu h LEU 363 Ca 0.26 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 2wuu h LEU 363 Cb -0.08 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 2wuu h LEU 363 CO -0.05 0.18 0.20 -0.07 -0.62 0.00 0.00 178.44 178.08 2wuu h LEU 364 N 0.33 0.69 -0.28 2.25 3.38 -0.22 0.79 115.31 122.25 2wuu h LEU 364 Ca 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2wuu h LEU 364 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2wuu h LEU 364 CO -0.08 0.67 0.13 0.40 0.09 0.00 0.00 178.44 179.65 2wuu h ILE 365 N 0.67 1.16 -0.38 1.22 2.04 -0.60 0.26 117.51 121.87 2wuu h ILE 365 Ca 0.17 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2wuu h ILE 365 Cb 0.19 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2wuu h ILE 365 CO -0.01 0.16 0.10 0.58 0.00 0.00 0.00 178.15 178.97 2wuu h VAL 366 N 0.31 1.22 -0.43 1.67 2.07 -0.78 0.16 116.25 120.48 2wuu h VAL 366 Ca 0.09 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wuu h VAL 366 Cb 0.14 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2wuu h VAL 366 CO -0.01 0.26 0.26 0.00 0.02 0.00 0.00 177.57 178.10 2wuu h ALA 367 N 0.94 0.54 -0.62 1.67 0.00 -0.75 -1.32 119.26 119.72 2wuu h ALA 367 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wuu h ALA 367 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2wuu h ALA 367 CO 0.00 0.03 0.40 1.25 0.00 0.00 0.00 179.25 180.93 2wuu h HIS 368 N 0.57 0.76 -0.06 0.00 6.17 -0.77 -0.94 115.15 120.88 2wuu h HIS 368 Ca 0.15 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 2wuu h HIS 368 Cb -0.02 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.65 2wuu h HIS 368 CO -0.04 0.46 -0.06 0.66 0.71 0.00 0.00 177.93 179.67 2wuu h SER 369 N 0.81 0.08 -0.10 3.26 4.64 -0.51 -1.61 113.55 120.13 2wuu h SER 369 Ca 0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wuu h SER 369 Cb -0.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2wuu h SER 369 CO -0.07 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 2wuu n ARG 370 N -4.42 1.41 -0.64 4.77 5.12 -0.54 -4.92 116.66 117.45 2wuu n ARG 370 Ca -0.02 -0.62 0.00 0.00 -1.93 0.00 0.00 57.85 55.28 2wuu n ARG 370 Cb 0.17 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 2wuu n ARG 370 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wuu n GLY 371 N 0.97 0.61 3.80 -0.13 0.00 -0.60 -5.06 105.19 104.79 2wuu n GLY 371 Ca 0.15 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2wuu n GLY 371 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wuu s PHE 372 N -2.00 3.26 -0.14 1.61 0.08 -0.41 -4.75 117.98 115.63 2wuu s PHE 372 Ca 0.00 1.62 0.19 0.00 0.12 0.00 0.00 56.93 58.87 2wuu s PHE 372 Cb 0.00 -2.95 -0.28 0.00 -0.57 0.00 0.00 43.02 39.22 2wuu s PHE 372 CO 0.00 -0.34 0.23 -0.25 -0.10 0.00 0.00 175.22 174.76 2wuu n ASP 373 N -0.53 0.02 -3.65 1.36 8.00 0.55 -4.48 116.55 117.82 2wuu n ASP 373 Ca 0.07 0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 2wuu n ASP 373 Cb 0.53 1.34 -0.07 0.00 -0.02 0.00 0.00 41.12 42.89 2wuu n ASP 373 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wuu s VAL 374 N -2.86 0.03 -0.11 2.53 0.11 -1.22 -0.56 120.40 118.32 2wuu s VAL 374 Ca -0.09 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 2wuu s VAL 374 Cb 0.09 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2wuu s VAL 374 CO 0.86 -0.16 -0.22 0.00 -3.33 0.00 0.00 175.10 172.25 2wuu s ASN 376 N 0.38 3.86 0.19 0.00 0.01 0.10 -0.16 114.94 119.32 2wuu s ASN 376 Ca -0.17 -0.73 -0.23 0.00 -0.71 0.00 0.00 52.86 51.02 2wuu s ASN 376 Cb -0.17 -0.49 0.05 0.00 0.41 0.00 0.00 41.25 41.05 2wuu s ASN 376 CO 0.08 0.11 0.74 0.00 -1.51 0.00 0.00 177.10 176.52 2wuu s MET 377 N -2.81 1.42 0.17 -0.60 0.23 -0.59 -1.40 119.30 115.72 2wuu s MET 377 Ca 0.23 -0.69 0.06 0.00 -1.03 0.00 0.00 55.69 54.27 2wuu s MET 377 Cb -0.08 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2wuu s MET 377 CO 0.13 -0.64 0.06 0.08 -2.03 0.00 0.00 175.02 172.62 2wuu s VAL 378 N -3.66 4.05 0.00 5.16 1.01 -1.26 -0.57 120.40 125.13 2wuu s VAL 378 Ca 0.07 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 2wuu s VAL 378 Cb -0.03 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 2wuu s VAL 378 CO -0.02 -0.12 1.20 -1.84 0.00 0.00 0.00 175.10 174.33 2wuu n GLU 379 N -0.25 0.60 -1.46 2.72 0.28 -0.81 -4.80 120.64 116.92 2wuu n GLU 379 Ca -0.09 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.76 2wuu n GLU 379 Cb 0.55 -1.22 0.08 0.00 1.43 0.00 0.00 31.44 32.28 2wuu n GLU 379 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2wuu n ILE 380 N 1.73 0.00 -2.89 3.84 -5.35 -1.26 -3.81 119.36 111.62 2wuu n ILE 380 Ca 0.01 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 2wuu n ILE 380 Cb 0.30 -1.32 0.00 0.00 -1.74 0.00 0.00 39.64 36.88 2wuu n ILE 380 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wuu n LEU 381 N 0.00 0.00 -1.91 7.28 4.77 -0.28 -1.17 117.00 125.69 2wuu n LEU 381 Ca 0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 2wuu n LEU 381 Cb 0.32 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.58 2wuu n LEU 381 CO 0.22 0.00 1.09 0.47 -1.33 0.00 0.00 177.39 177.83 2wuu n ASP 382 N -0.19 3.81 0.24 -1.43 8.00 -1.26 -4.56 116.55 121.16 2wuu n ASP 382 Ca 0.00 -3.69 0.09 0.00 0.71 0.00 0.00 54.79 51.90 2wuu n ASP 382 Cb 0.00 -0.78 0.60 0.00 -0.02 0.00 0.00 41.12 40.92 2wuu n ASP 382 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2wuu h ASN 383 N 1.15 0.00 0.24 -2.24 2.35 -1.43 -1.12 115.58 114.53 2wuu h ASN 383 Ca 0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.24 2wuu h ASN 383 Cb 2.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.60 2wuu h ASN 383 CO 0.93 0.18 -0.05 0.03 -1.65 0.00 0.00 177.43 176.87 2wuu h ARG 384 N 0.00 0.00 0.00 0.81 2.47 -1.83 -3.26 114.38 112.57 2wuu h ARG 384 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wuu h ARG 384 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2wuu h ARG 384 CO 0.02 0.05 0.00 0.77 0.56 0.00 0.00 179.97 181.37 2wuu h SER 385 N 0.00 0.00 -0.06 7.04 0.02 -1.59 -2.92 113.55 116.04 2wuu h SER 385 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wuu h SER 385 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2wuu h SER 385 CO 0.01 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 177.92 2wuu n PHE 386 N -2.72 0.08 0.16 3.45 1.16 -1.23 -4.81 117.46 113.55 2wuu n PHE 386 Ca 0.01 -0.30 -0.14 0.00 -1.87 0.00 0.00 57.45 55.16 2wuu n PHE 386 Cb 0.27 -0.03 -0.07 0.00 -1.61 0.00 0.00 39.48 38.04 2wuu n PHE 386 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2wuu h VAL 387 N 0.61 0.45 -0.13 1.97 2.07 -1.63 -1.81 116.25 117.78 2wuu h VAL 387 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2wuu h VAL 387 Cb 0.39 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2wuu h VAL 387 CO 0.00 0.00 -0.29 -0.33 0.02 0.00 0.00 177.57 176.97 2wuu h GLU 388 N -0.53 0.43 -0.14 1.57 4.39 -1.83 -0.62 114.58 117.84 2wuu h GLU 388 Ca 0.00 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.35 2wuu h GLU 388 Cb 0.50 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2wuu h GLU 388 CO -0.07 0.89 -0.20 0.37 -1.16 0.00 0.00 179.01 178.84 2wuu h GLN 389 N 0.02 0.24 -0.48 2.33 4.15 -1.90 -2.28 115.11 117.19 2wuu h GLN 389 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2wuu h GLN 389 Cb 0.89 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2wuu h GLN 389 CO 0.06 0.44 0.00 1.28 -1.93 0.00 0.00 178.83 178.69 2wuu n LEU 390 N -4.21 3.06 -2.19 -2.39 4.77 -0.68 -4.94 117.00 110.41 2wuu n LEU 390 Ca -0.01 -1.44 -0.16 0.00 -0.03 0.00 0.00 56.01 54.37 2wuu n LEU 390 Cb 0.33 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2wuu n LEU 390 CO 0.39 0.72 -0.00 0.29 -1.33 0.00 0.00 177.39 177.46 2wuu n LYS 391 N 1.19 -3.46 -2.45 3.23 5.02 -0.77 -5.01 118.16 115.92 2wuu n LYS 391 Ca 0.19 0.65 -0.35 0.00 -2.02 0.00 0.00 58.31 56.78 2wuu n LYS 391 Cb 0.51 -4.95 -0.03 0.00 -0.02 0.00 0.00 35.03 30.54 2wuu n LYS 391 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wuu s PHE 392 N -2.99 2.98 0.09 2.13 0.08 -0.31 -4.69 117.98 115.27 2wuu s PHE 392 Ca 0.21 1.58 0.09 0.00 0.12 0.00 0.00 56.93 58.93 2wuu s PHE 392 Cb -0.09 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 2wuu s PHE 392 CO 0.26 -1.03 -0.23 0.20 -0.10 0.00 0.00 175.22 174.32 2wuu s GLY 393 N -1.75 1.35 0.37 4.36 0.00 0.40 -4.68 107.32 107.37 2wuu s GLY 393 Ca 0.66 -1.28 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 2wuu s GLY 393 CO 0.25 -1.25 1.30 0.00 0.00 0.00 0.00 173.10 173.40 2wuu s ALA 394 N -1.02 3.35 0.40 3.20 0.00 -1.26 -1.03 121.76 125.40 2wuu s ALA 394 Ca 0.10 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.32 2wuu s ALA 394 Cb -0.10 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.58 2wuu s ALA 394 CO 0.04 -0.73 0.30 0.41 0.00 0.00 0.00 175.76 175.78 2wuu n GLY 395 N 0.72 2.82 0.16 0.00 0.00 0.33 -4.88 105.19 104.33 2wuu n GLY 395 Ca 0.02 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2wuu n GLY 395 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wuu h ASP 396 N 0.47 0.02 -3.87 1.61 2.03 -1.96 -3.41 116.42 111.30 2wuu h ASP 396 Ca -0.25 -0.01 -0.50 0.00 -0.73 0.00 0.00 57.03 55.54 2wuu h ASP 396 Cb 0.92 -0.01 0.04 0.00 -0.83 0.00 0.00 39.33 39.45 2wuu h ASP 396 CO 0.39 0.53 0.23 -0.83 -1.03 0.00 0.00 179.24 178.53 2wuu s GLY 397 N -4.39 1.59 -0.01 7.15 0.00 -1.26 -4.95 107.32 105.45 2wuu s GLY 397 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.41 2wuu s GLY 397 CO 0.75 -0.12 -0.13 0.30 0.00 0.00 0.00 173.10 173.89 2wuu s HIS 398 N -2.88 1.21 -0.24 1.90 3.76 -1.26 -1.47 115.29 116.31 2wuu s HIS 398 Ca 0.51 -0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.08 2wuu s HIS 398 Cb -0.11 -0.78 -0.05 0.00 1.11 0.00 0.00 32.58 32.75 2wuu s HIS 398 CO 0.47 -0.03 0.14 -1.17 -0.85 0.00 0.00 174.74 173.31 2wuu s LEU 399 N -0.30 3.99 -0.10 0.89 2.96 0.54 -4.33 118.68 122.33 2wuu s LEU 399 Ca 0.05 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2wuu s LEU 399 Cb -0.05 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2wuu s LEU 399 CO -0.00 0.05 0.01 -0.13 -1.32 0.00 0.00 176.35 174.96 2wuu s ARG 400 N 1.17 3.12 -0.12 1.98 3.00 0.06 -0.94 118.95 127.22 2wuu s ARG 400 Ca 0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 55.73 55.37 2wuu s ARG 400 Cb -0.14 -2.86 -0.04 0.00 0.00 0.00 0.00 34.95 31.92 2wuu s ARG 400 CO 0.05 0.66 0.04 0.71 0.00 0.00 0.00 175.30 176.75 2wuu s TYR 401 N -0.75 3.25 0.06 -0.53 1.51 -0.02 -1.50 117.35 119.37 2wuu s TYR 401 Ca 0.12 0.18 0.03 0.00 -1.01 0.00 0.00 57.07 56.38 2wuu s TYR 401 Cb -0.12 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2wuu s TYR 401 CO 0.02 0.39 -0.10 0.71 -1.11 0.00 0.00 175.55 175.46 2wuu s TYR 402 N -0.48 0.89 0.13 2.71 2.02 0.26 -0.72 117.35 122.17 2wuu s TYR 402 Ca 0.09 -0.53 0.08 0.00 -0.37 0.00 0.00 57.07 56.34 2wuu s TYR 402 Cb -0.12 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2wuu s TYR 402 CO 0.02 -0.03 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.80 2wuu s PHE 403 N -1.61 2.67 -0.21 2.71 0.08 -1.26 -1.52 117.98 118.84 2wuu s PHE 403 Ca -0.04 -0.20 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 2wuu s PHE 403 Cb -0.08 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 2wuu s PHE 403 CO 0.01 0.45 0.09 -0.47 -0.10 0.00 0.00 175.22 175.19 2wuu s TYR 404 N -1.36 3.23 -1.32 0.36 5.04 0.22 -4.57 117.35 118.95 2wuu s TYR 404 Ca 0.22 0.00 -0.07 0.00 -2.44 0.00 0.00 57.07 54.78 2wuu s TYR 404 Cb -0.10 -2.16 0.01 0.00 0.35 0.00 0.00 41.96 40.06 2wuu s TYR 404 CO 0.14 0.02 1.14 -1.71 -1.34 0.00 0.00 175.55 173.80 2wuu n ASN 405 N 4.01 -5.64 -3.45 4.32 5.15 0.25 -2.70 115.26 117.20 2wuu n ASN 405 Ca -0.16 -0.55 -0.15 0.00 -0.60 0.00 0.00 54.58 53.13 2wuu n ASN 405 Cb 0.52 -5.00 -0.11 0.00 -0.53 0.00 0.00 39.78 34.66 2wuu n ASN 405 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 2wuu s TRP 406 N -3.32 -0.48 0.17 1.20 -0.11 -1.26 -3.40 118.94 111.73 2wuu s TRP 406 Ca 0.49 0.48 -0.31 0.00 1.22 0.00 0.00 56.10 57.98 2wuu s TRP 406 Cb -0.21 -0.21 -0.09 0.00 -1.50 0.00 0.00 33.47 31.46 2wuu s TRP 406 CO 0.72 -0.63 1.41 0.00 -4.62 0.00 0.00 176.95 173.84 2wuu s ALA 407 N 2.41 3.62 -0.21 5.86 0.00 0.98 -4.81 121.76 129.61 2wuu s ALA 407 Ca 0.09 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 2wuu s ALA 407 Cb -0.15 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.48 2wuu s ALA 407 CO -0.13 -0.65 0.55 -0.47 0.00 0.00 0.00 175.76 175.06 2wuu s TYR 408 N 0.70 -0.71 0.61 0.00 5.04 -1.26 -2.56 117.35 119.16 2wuu s TYR 408 Ca 0.63 1.59 -0.19 0.00 -2.44 0.00 0.00 57.07 56.65 2wuu s TYR 408 Cb -0.39 0.32 -0.03 0.00 0.35 0.00 0.00 41.96 42.21 2wuu s TYR 408 CO 0.34 -0.36 1.27 -2.14 -1.34 0.00 0.00 175.55 173.33 2wuu s PRO 409 N 0.87 2.83 0.06 4.97 0.02 -1.26 -4.84 135.00 137.65 2wuu s PRO 409 Ca -0.05 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.67 2wuu s PRO 409 Cb -0.05 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 2wuu s PRO 409 CO -0.07 -1.37 1.74 0.21 -0.33 0.00 0.00 177.00 177.18 2wuu s LYS 410 N -3.26 4.17 0.28 5.54 2.20 -1.07 -4.89 119.74 122.71 2wuu s LYS 410 Ca 0.79 2.41 0.11 0.00 -0.36 0.00 0.00 55.97 58.92 2wuu s LYS 410 Cb -0.35 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 2wuu s LYS 410 CO 0.38 -0.81 -0.16 0.96 -0.36 0.00 0.00 175.35 175.37 2wuu s ILE 411 N 3.13 2.58 0.63 5.43 -4.36 -0.21 -5.04 121.20 123.36 2wuu s ILE 411 Ca 0.77 -2.33 -0.15 0.00 -0.26 0.00 0.00 60.65 58.69 2wuu s ILE 411 Cb -0.41 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 2wuu s ILE 411 CO 0.34 -0.38 1.07 -0.54 0.24 0.00 0.00 174.94 175.68 2wuu s LYS 412 N -3.54 3.11 0.51 0.37 1.02 -1.26 -4.38 119.74 115.56 2wuu s LYS 412 Ca 0.30 1.23 0.27 0.00 0.02 0.00 0.00 55.97 57.80 2wuu s LYS 412 Cb -0.04 -2.00 1.33 0.00 -0.52 0.00 0.00 37.83 36.59 2wuu s LYS 412 CO 0.16 -0.98 2.01 -1.00 -0.92 0.00 0.00 175.35 174.61 2wuu h PRO 413 N 0.18 0.00 0.00 -1.68 0.13 -1.85 -0.70 132.00 128.08 2wuu h PRO 413 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wuu h PRO 413 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2wuu h PRO 413 CO 0.56 0.14 0.00 -1.13 -0.23 0.00 0.00 178.00 177.34 2wuu n SER 414 N -3.52 0.00 -1.07 1.44 3.41 -1.25 -1.61 113.62 111.02 2wuu n SER 414 Ca -0.01 -0.95 0.09 0.00 -0.26 0.00 0.00 58.87 57.74 2wuu n SER 414 Cb 0.29 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.50 2wuu n SER 414 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wuu n GLN 415 N -0.85 2.81 -4.10 4.33 1.13 -0.27 -4.50 117.38 115.93 2wuu n GLN 415 Ca 0.12 -2.43 -0.34 0.00 -1.94 0.00 0.00 57.00 52.41 2wuu n GLN 415 Cb 0.06 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 28.85 2wuu n GLN 415 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2wuu s VAL 416 N -1.03 4.63 -0.06 5.09 1.01 -0.63 -2.02 120.40 127.39 2wuu s VAL 416 Ca 0.39 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.36 2wuu s VAL 416 Cb 0.20 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.66 2wuu s VAL 416 CO 0.26 0.49 1.04 0.00 0.00 0.00 0.00 175.10 176.89 2wuu n ALA 417 N 3.32 2.06 -2.53 5.51 0.00 0.91 -1.13 120.51 128.65 2wuu n ALA 417 Ca -0.17 -1.76 -0.41 0.00 0.00 0.00 0.00 53.44 51.10 2wuu n ALA 417 Cb 0.52 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 2wuu n ALA 417 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wuu s LEU 418 N -1.75 4.54 -0.09 0.00 2.96 -1.25 -4.45 118.68 118.64 2wuu s LEU 418 Ca 0.16 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.50 2wuu s LEU 418 Cb 0.14 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2wuu s LEU 418 CO 0.01 -0.37 0.69 -0.69 -1.32 0.00 0.00 176.35 174.67 2wuu s VAL 419 N 2.00 5.04 -0.21 1.68 1.01 -1.26 -5.05 120.40 123.61 2wuu s VAL 419 Ca 0.11 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.42 2wuu s VAL 419 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2wuu s VAL 419 CO 0.12 0.23 0.07 -0.04 0.00 0.00 0.00 175.10 175.47 2wuu s MET 420 N 0.96 3.83 0.00 2.72 1.00 -1.26 -5.12 119.30 121.44 2wuu s MET 420 Ca 0.36 -0.40 0.22 0.00 0.00 0.00 0.00 55.69 55.87 2wuu s MET 420 Cb -0.17 -3.26 1.31 0.00 0.00 0.00 0.00 34.83 32.71 2wuu s MET 420 CO 0.17 0.08 1.69 1.28 0.00 0.00 0.00 175.02 178.23