#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkg n GLN 2 N 0.00 0.40 -3.03 2.12 1.13 -1.26 -4.92 117.38 111.83 2wkg n GLN 2 Ca 0.00 0.17 -0.40 0.00 -1.94 0.00 0.00 57.00 54.83 2wkg n GLN 2 Cb 0.00 -1.72 -0.05 0.00 0.11 0.00 0.00 30.24 28.58 2wkg n GLN 2 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wkg s ILE 3 N -1.81 5.01 0.13 5.09 1.01 -1.26 -5.05 121.20 124.31 2wkg s ILE 3 Ca 0.67 1.43 0.11 0.00 0.00 0.00 0.00 60.65 62.85 2wkg s ILE 3 Cb -0.40 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2wkg s ILE 3 CO 0.57 0.17 -0.27 -1.10 0.00 0.00 0.00 174.94 174.31 2wkg s GLN 4 N 1.32 1.42 -0.09 2.79 -0.21 -1.26 -4.94 119.66 118.69 2wkg s GLN 4 Ca 0.36 -1.34 -0.11 0.00 0.02 0.00 0.00 55.36 54.29 2wkg s GLN 4 Cb -0.17 -1.90 0.03 0.00 1.00 0.00 0.00 33.01 31.96 2wkg s GLN 4 CO 0.15 0.45 0.29 0.95 -2.12 0.00 0.00 175.29 175.02 2wkg s THR 5 N -1.05 0.01 -0.09 -0.19 -4.23 -1.26 -5.00 115.64 103.83 2wkg s THR 5 Ca 0.14 -0.11 -0.39 0.00 -1.18 0.00 0.00 61.69 60.14 2wkg s THR 5 Cb -0.10 -0.45 -0.18 0.00 1.34 0.00 0.00 72.50 73.11 2wkg s THR 5 CO 0.06 -0.06 1.40 -2.65 -0.54 0.00 0.00 174.62 172.83 2wkg n PRO 6 N 2.58 0.75 0.21 3.99 -0.02 -1.26 -4.82 135.00 136.43 2wkg n PRO 6 Ca -0.15 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2wkg n PRO 6 Cb 0.57 -1.87 0.31 0.00 -0.02 0.00 0.00 33.50 32.49 2wkg n PRO 6 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wkg h ASP 7 N 4.87 0.00 0.44 2.55 3.45 -1.97 -2.99 116.42 122.77 2wkg h ASP 7 Ca -0.48 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 56.77 2wkg h ASP 7 Cb 1.36 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.12 2wkg h ASP 7 CO 0.81 0.00 -0.92 4.11 -1.57 0.00 0.00 179.24 181.68 2wkg h TRP 8 N 0.00 0.48 -0.90 4.55 5.08 -1.95 -2.65 115.95 120.57 2wkg h TRP 8 Ca 0.00 -0.26 0.20 0.00 1.08 0.00 0.00 58.89 59.90 2wkg h TRP 8 Cb 0.85 -0.05 -0.07 0.00 -3.00 0.00 0.00 29.16 26.88 2wkg h TRP 8 CO 0.00 1.08 0.59 0.28 -1.28 0.00 0.00 178.44 179.11 2wkg h VAL 9 N 0.18 0.69 0.00 0.12 2.07 -1.90 -2.08 116.25 115.33 2wkg h VAL 9 Ca -0.07 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2wkg h VAL 9 Cb 1.55 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2wkg h VAL 9 CO 0.15 0.08 0.00 0.29 0.02 0.00 0.00 177.57 178.11 2wkg n LYS 10 N -4.53 0.21 -0.09 1.57 5.02 -1.00 -2.87 118.16 116.48 2wkg n LYS 10 Ca 0.19 0.38 0.01 0.00 -2.02 0.00 0.00 58.31 56.87 2wkg n LYS 10 Cb 0.67 -1.86 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 2wkg n LYS 10 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2wkg n HIS 11 N -2.24 0.00 -3.56 2.13 8.25 -0.94 -4.69 115.22 114.18 2wkg n HIS 11 Ca 0.03 -0.29 -0.33 0.00 -0.26 0.00 0.00 57.72 56.86 2wkg n HIS 11 Cb 0.27 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 2wkg n HIS 11 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wkg s ALA 12 N -0.70 3.70 -0.23 -1.41 0.00 -0.83 -5.02 121.76 117.27 2wkg s ALA 12 Ca 0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 2wkg s ALA 12 Cb 0.04 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2wkg s ALA 12 CO 0.00 0.58 0.08 0.08 0.00 0.00 0.00 175.76 176.50 2wkg s VAL 13 N -1.59 4.55 0.20 0.00 1.01 -1.26 -4.08 120.40 119.24 2wkg s VAL 13 Ca 0.39 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 2wkg s VAL 13 Cb -0.13 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 2wkg s VAL 13 CO 0.21 0.37 0.50 -0.36 0.00 0.00 0.00 175.10 175.81 2wkg s PHE 14 N 1.23 3.44 -0.22 5.22 0.40 0.53 -1.86 117.98 126.73 2wkg s PHE 14 Ca 0.05 0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 57.13 2wkg s PHE 14 Cb -0.14 -2.18 0.07 0.00 0.51 0.00 0.00 43.02 41.27 2wkg s PHE 14 CO 0.04 0.32 0.03 -0.47 0.70 0.00 0.00 175.22 175.83 2wkg s TYR 15 N -1.77 1.36 -0.11 0.36 5.04 -0.82 -0.37 117.35 121.03 2wkg s TYR 15 Ca 0.45 -1.13 -0.23 0.00 -2.44 0.00 0.00 57.07 53.72 2wkg s TYR 15 Cb -0.11 -1.21 -0.03 0.00 0.35 0.00 0.00 41.96 40.95 2wkg s TYR 15 CO 0.22 -0.68 0.70 -1.14 -1.34 0.00 0.00 175.55 173.31 2wkg s GLN 16 N 1.74 4.36 0.07 4.97 0.74 -0.44 -2.47 119.66 128.64 2wkg s GLN 16 Ca -0.00 0.83 0.09 0.00 0.05 0.00 0.00 55.36 56.32 2wkg s GLN 16 Cb -0.17 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 2wkg s GLN 16 CO -0.10 -0.06 -0.24 0.42 -0.55 0.00 0.00 175.29 174.75 2wkg s ILE 17 N 1.26 1.98 -0.67 -2.34 1.01 -1.01 -1.30 121.20 120.14 2wkg s ILE 17 Ca 0.35 -1.45 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 2wkg s ILE 17 Cb -0.17 -1.73 0.17 0.00 0.01 0.00 0.00 42.46 40.74 2wkg s ILE 17 CO 0.15 0.19 0.49 0.12 0.00 0.00 0.00 174.94 175.89 2wkg s PHE 18 N -0.92 3.46 0.25 3.97 2.19 -1.26 -2.12 117.98 123.55 2wkg s PHE 18 Ca 0.10 -2.71 0.07 0.00 0.33 0.00 0.00 56.93 54.72 2wkg s PHE 18 Cb -0.10 -3.23 0.74 0.00 -1.31 0.00 0.00 43.02 39.12 2wkg s PHE 18 CO 0.03 -0.84 1.20 -2.30 1.83 0.00 0.00 175.22 175.15 2wkg n PRO 19 N 3.38 -0.06 0.25 10.12 -0.02 -1.26 -1.20 135.00 146.21 2wkg n PRO 19 Ca 0.10 1.11 0.12 0.00 -2.02 0.00 0.00 63.50 62.81 2wkg n PRO 19 Cb 0.38 -1.84 0.64 0.00 -0.02 0.00 0.00 33.50 32.66 2wkg n PRO 19 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wkg h ASP 20 N 0.00 0.00 -0.01 2.55 5.19 -1.91 -3.24 116.42 119.00 2wkg h ASP 20 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2wkg h ASP 20 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2wkg h ASP 20 CO -0.67 0.15 -0.05 0.54 -3.12 0.00 0.00 179.24 176.09 2wkg n ARG 21 N -3.51 0.96 0.01 3.56 1.74 -0.34 0.10 116.66 119.19 2wkg n ARG 21 Ca -0.01 -0.64 -0.02 0.00 -0.77 0.00 0.00 57.85 56.41 2wkg n ARG 21 Cb 0.31 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.72 2wkg n ARG 21 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2wkg h PHE 22 N 0.81 -0.09 -2.57 -1.55 3.04 -1.15 -1.79 116.94 113.64 2wkg h PHE 22 Ca 0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 2wkg h PHE 22 Cb 0.20 0.03 -0.21 0.00 2.56 0.00 0.00 35.95 38.53 2wkg h PHE 22 CO 0.00 -0.06 -0.10 0.00 -2.02 0.00 0.00 178.31 176.14 2wkg s ALA 23 N -2.95 -1.22 -0.18 2.41 0.00 -1.26 -4.48 121.76 114.08 2wkg s ALA 23 Ca -0.01 1.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 2wkg s ALA 23 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2wkg s ALA 23 CO 0.04 -0.28 -0.15 -0.98 0.00 0.00 0.00 175.76 174.40 2wkg s ARG 24 N -0.67 3.14 1.10 0.00 1.70 -1.26 -0.14 118.95 122.82 2wkg s ARG 24 Ca -0.08 -0.76 -0.15 0.00 -0.47 0.00 0.00 55.73 54.28 2wkg s ARG 24 Cb -0.03 -2.70 0.24 0.00 -0.57 0.00 0.00 34.95 31.89 2wkg s ARG 24 CO 0.04 -0.15 1.08 0.45 -1.08 0.00 0.00 175.30 175.64 2wkg s SER 25 N 1.23 1.75 0.86 -2.89 0.15 -1.26 -4.77 113.70 108.77 2wkg s SER 25 Ca 0.03 1.06 -0.12 0.00 0.70 0.00 0.00 55.95 57.62 2wkg s SER 25 Cb -0.14 -1.64 0.11 0.00 -1.71 0.00 0.00 66.02 62.64 2wkg s SER 25 CO -0.07 -3.66 1.10 -1.59 1.20 0.00 0.00 173.24 170.21 2wkg s LYS 26 N -5.00 1.59 0.27 5.44 0.00 -1.26 -4.88 119.74 115.90 2wkg s LYS 26 Ca 0.67 0.66 0.00 0.00 0.00 0.00 0.00 55.97 57.31 2wkg s LYS 26 Cb -0.17 -1.86 0.54 0.00 0.00 0.00 0.00 37.83 36.33 2wkg s LYS 26 CO 0.58 -1.97 1.81 1.96 0.00 0.00 0.00 175.35 177.73 2wkg h GLN 27 N -1.35 0.83 -5.73 1.78 1.08 -2.02 -3.38 115.11 106.32 2wkg h GLN 27 Ca -0.49 -0.05 -0.33 0.00 -1.45 0.00 0.00 58.65 56.34 2wkg h GLN 27 Cb 1.28 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 2wkg h GLN 27 CO 0.58 0.55 0.84 -1.25 -0.95 0.00 0.00 178.83 178.59 2wkg s PRO 28 N -5.97 2.65 -0.30 1.46 0.04 -1.26 -4.82 135.00 126.81 2wkg s PRO 28 Ca -0.12 -0.44 -0.05 0.00 0.04 0.00 0.00 61.00 60.43 2wkg s PRO 28 Cb 0.22 -5.11 0.16 0.00 0.04 0.00 0.00 34.50 29.81 2wkg s PRO 28 CO 0.80 -3.31 0.62 0.50 0.04 0.00 0.00 177.00 175.64 2wkg s ARG 29 N 6.77 0.57 -0.66 4.56 6.06 -1.26 -5.12 118.95 129.87 2wkg s ARG 29 Ca 0.68 1.21 -0.22 0.00 -2.50 0.00 0.00 55.73 54.89 2wkg s ARG 29 Cb -0.06 0.69 0.08 0.00 0.06 0.00 0.00 34.95 35.72 2wkg s ARG 29 CO -0.00 -0.43 0.94 0.15 -2.50 0.00 0.00 175.30 173.45 2wkg s LYS 30 N 2.87 3.12 -0.11 5.12 -0.14 -1.26 -4.92 119.74 124.43 2wkg s LYS 30 Ca 0.09 -0.95 -0.04 0.00 -1.36 0.00 0.00 55.97 53.71 2wkg s LYS 30 Cb -0.14 -4.27 -0.03 0.00 -1.68 0.00 0.00 37.83 31.72 2wkg s LYS 30 CO -0.20 -1.78 0.04 -0.09 -0.76 0.00 0.00 175.35 172.56 2wkg h ARG 31 N 9.48 0.00 0.00 1.68 9.65 -1.93 -3.38 114.38 129.89 2wkg h ARG 31 Ca -0.27 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.41 2wkg h ARG 31 Cb 1.07 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 2wkg h ARG 31 CO 1.17 0.09 -1.70 -0.11 2.80 0.00 0.00 179.97 182.22 2wkg n LEU 32 N -4.74 1.88 -4.34 3.80 7.94 -1.26 -4.75 117.00 115.53 2wkg n LEU 32 Ca -0.02 0.05 -0.46 0.00 -1.11 0.00 0.00 56.01 54.47 2wkg n LEU 32 Cb 0.09 -0.40 -0.02 0.00 0.53 0.00 0.00 43.42 43.63 2wkg n LEU 32 CO 0.05 0.47 0.58 -0.76 -1.11 0.00 0.00 177.39 176.62 2wkg s LEU 33 N -6.23 6.50 0.07 -1.96 2.01 -1.26 -4.93 118.68 112.88 2wkg s LEU 33 Ca -0.17 -2.87 -0.24 0.00 0.01 0.00 0.00 54.13 50.86 2wkg s LEU 33 Cb 0.06 -2.23 -0.10 0.00 0.01 0.00 0.00 46.19 43.93 2wkg s LEU 33 CO 0.25 -0.55 1.39 1.56 1.01 0.00 0.00 176.35 180.01 2wkg h GLN 34 N 7.58 -0.50 -4.89 1.70 7.50 -1.88 -3.19 115.11 121.42 2wkg h GLN 34 Ca 0.13 0.03 -0.53 0.00 0.50 0.00 0.00 58.65 58.79 2wkg h GLN 34 Cb 1.00 0.11 0.02 0.00 0.05 0.00 0.00 27.48 28.65 2wkg h GLN 34 CO 0.85 -0.33 1.81 0.39 -1.50 0.00 0.00 178.83 180.05 2wkg n GLU 35 N -4.55 1.54 -4.06 1.46 -0.58 -1.26 -4.85 120.64 108.34 2wkg n GLU 35 Ca -0.06 -2.09 -0.18 0.00 -0.42 0.00 0.00 57.16 54.41 2wkg n GLU 35 Cb 0.29 -3.23 -0.16 0.00 -0.57 0.00 0.00 31.44 27.76 2wkg n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wkg s ALA 36 N 7.37 0.46 -0.01 0.62 0.00 -1.21 -5.11 121.76 123.88 2wkg s ALA 36 Ca 0.62 0.02 -0.32 0.00 0.00 0.00 0.00 51.96 52.27 2wkg s ALA 36 Cb 0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 23.12 22.79 2wkg s ALA 36 CO 0.13 -0.01 1.90 0.54 0.00 0.00 0.00 175.76 178.32 2wkg n ARG 37 N 3.85 2.50 0.08 0.00 5.12 -1.26 -4.82 116.66 122.12 2wkg n ARG 37 Ca -0.24 0.92 0.05 0.00 -1.93 0.00 0.00 57.85 56.65 2wkg n ARG 37 Cb 0.52 -2.81 0.26 0.00 -1.16 0.00 0.00 32.46 29.27 2wkg n ARG 37 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2wkg n TRP 38 N 6.77 0.32 0.05 -1.55 8.01 -1.26 -0.77 117.44 129.01 2wkg n TRP 38 Ca 0.21 0.17 -0.00 0.00 -1.31 0.00 0.00 57.50 56.56 2wkg n TRP 38 Cb 0.34 -0.74 -0.07 0.00 -2.01 0.00 0.00 31.31 28.84 2wkg n TRP 38 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 2wkg h GLU 39 N 0.00 0.00 -0.02 -0.99 5.08 -2.06 -3.27 114.58 113.32 2wkg h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wkg h GLU 39 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2wkg h GLU 39 CO 0.00 0.35 -0.13 -0.25 -1.00 0.00 0.00 179.01 177.98 2wkg n ASP 40 N -2.96 1.78 0.06 1.42 9.92 0.05 -4.60 116.55 122.21 2wkg n ASP 40 Ca -0.08 -1.46 -0.11 0.00 -0.53 0.00 0.00 54.79 52.61 2wkg n ASP 40 Cb 0.84 0.10 -0.04 0.00 -0.64 0.00 0.00 41.12 41.38 2wkg n ASP 40 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2wkg h TRP 41 N 2.59 -0.63 0.00 1.24 2.91 -1.27 0.78 115.95 121.57 2wkg h TRP 41 Ca 0.00 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.04 2wkg h TRP 41 Cb 0.65 0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2wkg h TRP 41 CO 0.00 -0.32 -0.00 0.22 -1.03 0.00 0.00 178.44 177.30 2wkg h ASP 42 N -0.37 0.00 0.16 2.65 1.82 -1.82 0.13 116.42 119.00 2wkg h ASP 42 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 2wkg h ASP 42 Cb 0.45 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 2wkg h ASP 42 CO -0.22 0.00 -0.09 0.28 -1.61 0.00 0.00 179.24 177.60 2wkg h SER 43 N 0.00 0.00 -3.38 2.28 0.02 -1.14 -3.37 113.55 107.96 2wkg h SER 43 Ca -0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 2wkg h SER 43 Cb 0.01 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.27 2wkg h SER 43 CO 0.00 0.09 -0.27 -0.04 -1.14 0.00 0.00 176.83 175.47 2wkg s MET 44 N -4.58 2.79 0.12 3.45 -1.94 0.46 -4.96 119.30 114.64 2wkg s MET 44 Ca -0.04 -1.91 -0.20 0.00 -1.71 0.00 0.00 55.69 51.83 2wkg s MET 44 Cb 0.15 -4.09 -0.08 0.00 2.01 0.00 0.00 34.83 32.82 2wkg s MET 44 CO 0.62 -1.25 1.76 -1.35 -0.01 0.00 0.00 175.02 174.80 2wkg h PRO 45 N 8.36 0.25 -0.69 2.03 0.11 -1.80 -0.48 132.00 139.78 2wkg h PRO 45 Ca -0.17 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.07 2wkg h PRO 45 Cb 1.07 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 2wkg h PRO 45 CO 0.88 0.17 0.09 1.15 -0.21 0.00 0.00 178.00 180.09 2wkg h THR 46 N 0.24 0.49 0.00 -1.15 2.02 -1.93 0.78 112.91 113.36 2wkg h THR 46 Ca 0.07 -0.07 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 2wkg h THR 46 Cb -0.02 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 2wkg h THR 46 CO -0.01 0.03 -1.03 -0.07 0.37 0.00 0.00 175.52 174.82 2wkg h LEU 47 N 0.19 0.00 0.43 2.58 4.07 -1.87 -3.21 115.31 117.50 2wkg h LEU 47 Ca 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.33 2wkg h LEU 47 Cb 0.64 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 2wkg h LEU 47 CO -0.53 0.95 -0.41 -0.61 -1.08 0.00 0.00 178.44 176.76 2wkg h GLN 48 N 0.00 -0.82 -2.83 1.13 -0.00 0.84 -3.35 115.11 110.09 2wkg h GLN 48 Ca -0.04 0.06 -0.61 0.00 -0.00 0.00 0.00 58.65 58.06 2wkg h GLN 48 Cb 1.76 0.19 -0.40 0.00 0.00 0.00 0.00 27.48 29.02 2wkg h GLN 48 CO 0.12 -0.54 -0.73 0.20 0.00 0.00 0.00 178.83 177.87 2wkg s GLY 49 N -2.21 2.19 -0.07 2.39 0.00 -0.74 -5.08 107.32 103.80 2wkg s GLY 49 Ca -0.17 -3.22 -0.20 0.00 0.00 0.00 0.00 44.72 41.13 2wkg s GLY 49 CO 0.62 1.50 0.55 -0.47 0.00 0.00 0.00 173.10 175.29 2wkg s TYR 50 N -0.72 3.58 -0.03 1.90 5.04 -1.21 -4.88 117.35 121.03 2wkg s TYR 50 Ca 0.27 1.04 -0.00 0.00 -2.44 0.00 0.00 57.07 55.94 2wkg s TYR 50 Cb -0.04 -2.60 -0.00 0.00 0.35 0.00 0.00 41.96 39.67 2wkg s TYR 50 CO -0.16 0.22 -0.00 1.57 -1.34 0.00 0.00 175.55 175.84 2wkg h LYS 51 N 6.36 0.00 -7.26 4.97 2.10 -1.98 -3.49 116.57 117.27 2wkg h LYS 51 Ca -0.43 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.72 2wkg h LYS 51 Cb 1.19 0.00 0.19 0.00 -0.90 0.00 0.00 32.23 32.71 2wkg h LYS 51 CO 0.73 0.00 0.21 0.20 -2.00 0.00 0.00 179.45 178.59 2wkg s GLY 52 N -2.51 1.67 0.91 0.07 0.00 -1.26 -4.86 107.32 101.34 2wkg s GLY 52 Ca -0.00 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.06 2wkg s GLY 52 CO 0.00 0.91 1.09 -0.32 0.00 0.00 0.00 173.10 174.79 2wkg s GLY 53 N -2.74 1.61 0.14 0.20 0.00 0.29 -4.80 107.32 102.02 2wkg s GLY 53 Ca 0.66 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.34 2wkg s GLY 53 CO 0.59 0.44 0.10 2.09 0.00 0.00 0.00 173.10 176.31 2wkg n ASP 54 N -3.96 0.05 0.12 1.64 5.68 0.80 -4.36 116.55 116.53 2wkg n ASP 54 Ca 0.07 -1.87 0.06 0.00 -0.50 0.00 0.00 54.79 52.55 2wkg n ASP 54 Cb 0.55 0.60 0.02 0.00 -1.14 0.00 0.00 41.12 41.16 2wkg n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2wkg h LEU 55 N 0.00 0.00 -0.55 -2.12 3.38 -0.54 -3.03 115.31 112.45 2wkg h LEU 55 Ca -0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wkg h LEU 55 Cb 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2wkg h LEU 55 CO 0.15 0.30 0.33 -0.50 0.09 0.00 0.00 178.44 178.82 2wkg h TRP 56 N 0.00 0.62 0.23 1.13 4.06 -1.89 -1.98 115.95 118.12 2wkg h TRP 56 Ca -0.04 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2wkg h TRP 56 Cb 1.27 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 2wkg h TRP 56 CO 0.00 0.35 -0.43 0.78 -3.56 0.00 0.00 178.44 175.59 2wkg h GLY 57 N 0.66 -1.18 -0.19 1.49 0.00 -1.66 0.50 103.07 102.70 2wkg h GLY 57 Ca 0.22 0.59 0.08 0.00 0.00 0.00 0.00 47.33 48.23 2wkg h GLY 57 CO -0.09 -0.32 -0.31 -2.22 0.00 0.00 0.00 176.54 173.59 2wkg h ILE 58 N -0.71 0.24 -0.89 2.60 2.04 -1.57 0.11 117.51 119.34 2wkg h ILE 58 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2wkg h ILE 58 Cb 0.66 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2wkg h ILE 58 CO -0.16 0.00 0.57 -0.03 0.00 0.00 0.00 178.15 178.53 2wkg h MET 59 N -0.22 0.90 0.00 2.37 4.05 -1.04 0.48 114.93 121.46 2wkg h MET 59 Ca 0.19 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2wkg h MET 59 Cb 0.53 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2wkg h MET 59 CO -0.55 0.59 0.00 0.93 0.23 0.00 0.00 176.91 178.11 2wkg h GLU 60 N 0.92 0.00 -0.21 0.39 5.08 0.24 -3.05 114.58 117.95 2wkg h GLU 60 Ca 0.40 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2wkg h GLU 60 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2wkg h GLU 60 CO -0.16 0.00 -0.10 -0.25 -1.00 0.00 0.00 179.01 177.49 2wkg n ASP 61 N -2.66 2.72 0.02 1.42 10.43 0.12 -4.64 116.55 123.95 2wkg n ASP 61 Ca 0.01 -3.46 0.02 0.00 2.57 0.00 0.00 54.79 53.93 2wkg n ASP 61 Cb 0.27 -0.56 0.35 0.00 1.84 0.00 0.00 41.12 43.03 2wkg n ASP 61 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2wkg h LEU 62 N 1.02 0.45 -0.16 0.64 3.38 -1.35 -2.65 115.31 116.64 2wkg h LEU 62 Ca 0.09 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2wkg h LEU 62 Cb 1.38 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2wkg h LEU 62 CO 0.21 0.46 -0.26 0.44 0.09 0.00 0.00 178.44 179.38 2wkg h ASP 63 N 0.49 -0.82 0.13 -0.43 3.45 -1.86 0.18 116.42 117.56 2wkg h ASP 63 Ca 0.11 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.71 2wkg h ASP 63 Cb 0.19 0.37 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 2wkg h ASP 63 CO -0.00 -0.31 -0.31 0.22 -1.57 0.00 0.00 179.24 177.27 2wkg h TYR 64 N -0.31 -0.89 -0.62 4.55 3.20 -1.84 -1.08 116.97 119.98 2wkg h TYR 64 Ca 0.11 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.07 2wkg h TYR 64 Cb 0.48 0.37 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 2wkg h TYR 64 CO -0.37 -0.37 -0.56 0.82 -1.64 0.00 0.00 178.16 176.04 2wkg h ILE 65 N -0.49 0.01 0.00 1.81 2.04 -1.26 0.29 117.51 119.91 2wkg h ILE 65 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wkg h ILE 65 Cb 0.47 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2wkg h ILE 65 CO -0.14 0.00 -0.01 -0.61 0.00 0.00 0.00 178.15 177.40 2wkg h GLN 66 N -0.25 0.00 0.00 2.37 4.15 -0.57 -1.09 115.11 119.71 2wkg h GLN 66 Ca 0.11 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.35 2wkg h GLN 66 Cb 0.53 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2wkg h GLN 66 CO -0.72 0.01 -0.85 -0.97 -1.93 0.00 0.00 178.83 174.37 2wkg h ASN 67 N 0.00 0.00 0.48 -0.69 -1.24 0.91 -2.79 115.58 112.25 2wkg h ASN 67 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2wkg h ASN 67 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2wkg h ASN 67 CO 0.00 0.85 -0.25 0.25 -1.29 0.00 0.00 177.43 176.99 2wkg h LEU 68 N 0.00 0.00 0.00 0.34 5.85 -0.26 -3.46 115.31 117.78 2wkg h LEU 68 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wkg h LEU 68 Cb 1.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2wkg h LEU 68 CO 0.11 0.25 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 2wkg n GLY 69 N -0.43 1.01 3.79 3.75 0.00 -1.05 -4.61 105.19 107.66 2wkg n GLY 69 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2wkg n GLY 69 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wkg s ILE 70 N -2.00 4.30 -0.07 -0.61 -5.25 -1.22 -4.73 121.20 111.62 2wkg s ILE 70 Ca 0.00 1.68 0.15 0.00 -0.99 0.00 0.00 60.65 61.49 2wkg s ILE 70 Cb 0.00 -3.91 0.31 0.00 2.95 0.00 0.00 42.46 41.81 2wkg s ILE 70 CO 0.00 0.06 1.14 -0.46 -1.79 0.00 0.00 174.94 173.89 2wkg n ASN 71 N 0.34 1.16 -3.52 4.36 0.23 -0.78 -4.41 115.26 112.65 2wkg n ASN 71 Ca 0.02 -2.65 -0.00 0.00 -0.53 0.00 0.00 54.58 51.42 2wkg n ASN 71 Cb 0.51 -0.36 -0.05 0.00 -2.08 0.00 0.00 39.78 37.81 2wkg n ASN 71 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wkg s ALA 72 N -1.26 -2.43 -0.09 -2.53 0.00 -1.21 -2.32 121.76 111.91 2wkg s ALA 72 Ca 0.27 2.17 -0.02 0.00 0.00 0.00 0.00 51.96 54.38 2wkg s ALA 72 Cb 0.28 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2wkg s ALA 72 CO -0.08 -0.82 -0.00 0.42 0.00 0.00 0.00 175.76 175.29 2wkg s ILE 73 N 2.33 4.28 -0.03 0.00 1.01 0.43 -1.94 121.20 127.29 2wkg s ILE 73 Ca -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 2wkg s ILE 73 Cb -0.07 -2.81 0.03 0.00 0.01 0.00 0.00 42.46 39.62 2wkg s ILE 73 CO -0.18 0.59 0.03 -0.72 0.00 0.00 0.00 174.94 174.67 2wkg s TYR 74 N -0.74 0.07 0.56 3.97 -0.85 -1.03 -0.06 117.35 119.26 2wkg s TYR 74 Ca 0.12 0.14 0.06 0.00 -0.52 0.00 0.00 57.07 56.87 2wkg s TYR 74 Cb -0.12 -0.31 0.10 0.00 0.38 0.00 0.00 41.96 42.02 2wkg s TYR 74 CO 0.02 -0.11 0.77 1.19 -1.52 0.00 0.00 175.55 175.89 2wkg n PHE 75 N 4.41 -2.55 -0.77 -3.49 3.72 -0.95 -2.40 117.46 115.43 2wkg n PHE 75 Ca -0.23 -1.79 0.00 0.00 -0.05 0.00 0.00 57.45 55.38 2wkg n PHE 75 Cb 0.50 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2wkg n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2wkg n THR 76 N -2.30 0.00 -1.81 4.37 -2.24 -0.90 -4.13 114.28 107.27 2wkg n THR 76 Ca 0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 2wkg n THR 76 Cb 0.53 -1.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.17 2wkg n THR 76 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2wkg s PRO 77 N -2.94 4.13 0.00 -0.78 0.02 -1.26 -4.17 135.00 130.00 2wkg s PRO 77 Ca 0.00 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2wkg s PRO 77 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2wkg s PRO 77 CO 0.00 -0.59 0.45 0.44 -0.33 0.00 0.00 177.00 176.97 2wkg n ILE 78 N 1.79 0.20 -2.13 2.83 -5.35 -1.26 -4.92 119.36 110.51 2wkg n ILE 78 Ca 0.06 -0.32 -0.32 0.00 -0.27 0.00 0.00 62.75 61.90 2wkg n ILE 78 Cb 0.38 1.20 -0.01 0.00 -1.74 0.00 0.00 39.64 39.48 2wkg n ILE 78 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wkg s PHE 79 N -0.20 3.32 -0.10 4.28 2.99 -1.26 -0.73 117.98 126.28 2wkg s PHE 79 Ca 0.00 1.45 -0.37 0.00 0.00 0.00 0.00 56.93 58.01 2wkg s PHE 79 Cb 0.00 -2.85 -0.15 0.00 0.00 0.00 0.00 43.02 40.02 2wkg s PHE 79 CO 0.00 -0.71 1.68 0.94 -0.00 0.00 0.00 175.22 177.13 2wkg n GLN 80 N -2.05 1.56 -3.97 0.44 7.27 0.50 -4.36 117.38 116.78 2wkg n GLN 80 Ca 0.07 0.57 -0.12 0.00 0.07 0.00 0.00 57.00 57.59 2wkg n GLN 80 Cb 0.54 -2.30 -0.02 0.00 2.41 0.00 0.00 30.24 30.87 2wkg n GLN 80 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wkg s SER 81 N 2.76 0.48 0.39 1.69 1.04 -1.26 -0.38 113.70 118.42 2wkg s SER 81 Ca 0.92 -1.30 -0.23 0.00 0.48 0.00 0.00 55.95 55.81 2wkg s SER 81 Cb -0.89 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 65.83 2wkg s SER 81 CO 0.55 -1.44 0.61 0.00 0.98 0.00 0.00 173.24 173.93 2wkg n ALA 82 N -0.54 -1.39 -0.20 5.32 0.00 -1.26 -4.74 120.51 117.71 2wkg n ALA 82 Ca -0.03 0.21 0.30 0.00 0.00 0.00 0.00 53.44 53.92 2wkg n ALA 82 Cb 0.61 -1.80 0.71 0.00 0.00 0.00 0.00 19.45 18.97 2wkg n ALA 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wkg h SER 83 N 0.96 0.00 -0.07 0.00 0.87 -2.01 -0.63 113.55 112.68 2wkg h SER 83 Ca -0.40 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 2wkg h SER 83 Cb 1.39 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 62.98 2wkg h SER 83 CO 0.53 0.00 -1.03 -3.20 -0.53 0.00 0.00 176.83 172.60 2wkg n ASN 84 N -3.97 1.15 -2.83 6.23 4.05 -1.26 -4.86 115.26 113.77 2wkg n ASN 84 Ca 0.20 -2.10 -0.16 0.00 0.45 0.00 0.00 54.58 52.97 2wkg n ASN 84 Cb 1.10 -0.34 -0.00 0.00 1.23 0.00 0.00 39.78 41.77 2wkg n ASN 84 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2wkg n HIS 85 N 0.25 1.50 -0.08 1.20 8.25 -0.24 -4.95 115.22 121.15 2wkg n HIS 85 Ca 0.07 -3.29 0.24 0.00 -0.26 0.00 0.00 57.72 54.48 2wkg n HIS 85 Cb 1.07 -0.36 0.51 0.00 1.12 0.00 0.00 29.99 32.34 2wkg n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wkg h ARG 86 N 2.94 0.00 -0.01 -0.41 2.47 -1.89 1.12 114.38 118.60 2wkg h ARG 86 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2wkg h ARG 86 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2wkg h ARG 86 CO 0.59 0.00 -0.32 0.66 0.56 0.00 0.00 179.97 181.45 2wkg n TYR 87 N -3.31 0.00 -3.17 3.04 4.01 -1.26 -4.23 117.16 112.24 2wkg n TYR 87 Ca 0.17 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.47 2wkg n TYR 87 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 2wkg n TYR 87 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2wkg n HIS 88 N -0.66 3.72 -1.61 -0.72 8.25 0.39 -4.83 115.22 119.76 2wkg n HIS 88 Ca 0.11 -3.24 -0.47 0.00 -0.26 0.00 0.00 57.72 53.87 2wkg n HIS 88 Cb 0.36 -1.46 -0.03 0.00 1.12 0.00 0.00 29.99 29.98 2wkg n HIS 88 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2wkg n THR 89 N 1.96 1.16 -0.08 1.59 -1.04 -1.25 -4.08 114.28 112.53 2wkg n THR 89 Ca 0.25 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 61.85 2wkg n THR 89 Cb 0.36 -1.07 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 2wkg n THR 89 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2wkg n HIS 90 N 1.33 0.00 -3.46 -1.42 -0.00 0.49 -2.56 115.22 109.60 2wkg n HIS 90 Ca 0.13 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.18 2wkg n HIS 90 Cb 0.28 -0.62 -0.11 0.00 -0.12 0.00 0.00 29.99 29.43 2wkg n HIS 90 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2wkg s ASP 91 N -5.75 0.66 0.31 0.26 3.68 -1.05 -4.04 116.67 110.75 2wkg s ASP 91 Ca -0.22 0.15 0.26 0.00 2.13 0.00 0.00 52.55 54.86 2wkg s ASP 91 Cb 0.06 0.79 1.01 0.00 -1.45 0.00 0.00 42.92 43.34 2wkg s ASP 91 CO 0.36 -0.30 1.77 1.88 0.13 0.00 0.00 175.17 179.01 2wkg h TYR 92 N 8.25 0.00 -0.62 -5.34 -1.99 -1.93 -3.13 116.97 112.21 2wkg h TYR 92 Ca -0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.55 2wkg h TYR 92 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 2wkg h TYR 92 CO 0.17 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.99 2wkg n TYR 93 N -2.42 1.41 -3.70 4.88 4.02 -1.26 -4.81 117.16 115.28 2wkg n TYR 93 Ca 0.02 -0.56 -0.14 0.00 -0.01 0.00 0.00 57.90 57.21 2wkg n TYR 93 Cb 0.28 -0.23 -0.14 0.00 -0.02 0.00 0.00 39.34 39.23 2wkg n TYR 93 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2wkg s GLN 94 N -1.81 0.11 0.38 -0.72 -1.52 -1.18 -5.08 119.66 109.84 2wkg s GLN 94 Ca 0.48 0.56 -0.28 0.00 -1.95 0.00 0.00 55.36 54.17 2wkg s GLN 94 Cb 0.31 -0.16 -0.11 0.00 -0.22 0.00 0.00 33.01 32.83 2wkg s GLN 94 CO 0.24 -0.24 1.47 0.08 -0.25 0.00 0.00 175.29 176.59 2wkg s VAL 95 N 1.84 2.11 0.28 1.09 1.01 -1.26 -0.37 120.40 125.08 2wkg s VAL 95 Ca -0.03 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2wkg s VAL 95 Cb -0.12 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 2wkg s VAL 95 CO -0.07 0.02 1.50 -0.62 0.00 0.00 0.00 175.10 175.94 2wkg s ASP 96 N -0.21 6.52 -0.21 3.32 -1.08 0.10 -4.24 116.67 120.86 2wkg s ASP 96 Ca 0.53 2.81 -0.01 0.00 -0.52 0.00 0.00 52.55 55.36 2wkg s ASP 96 Cb -0.46 -2.63 0.15 0.00 -1.46 0.00 0.00 42.92 38.52 2wkg s ASP 96 CO 0.62 -0.80 1.99 -0.81 0.52 0.00 0.00 175.17 176.69 2wkg n PRO 97 N 2.14 1.54 0.00 4.34 -0.04 -1.26 -3.32 135.00 138.40 2wkg n PRO 97 Ca 0.07 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2wkg n PRO 97 Cb 0.39 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2wkg n PRO 97 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2wkg n MET 98 N 0.70 0.00 -0.40 0.54 2.81 -1.26 -4.57 117.12 114.94 2wkg n MET 98 Ca 0.20 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.19 2wkg n MET 98 Cb 0.56 -0.54 0.30 0.00 -0.71 0.00 0.00 33.22 32.83 2wkg n MET 98 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wkg n LEU 99 N -2.23 3.96 0.00 4.03 -0.00 -1.21 -4.86 117.00 116.69 2wkg n LEU 99 Ca 0.00 -2.15 0.00 0.00 -0.00 0.00 0.00 56.01 53.86 2wkg n LEU 99 Cb 0.22 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2wkg n LEU 99 CO 0.00 0.88 0.00 0.61 -0.00 0.00 0.00 177.39 178.88 2wkg n GLY 100 N 1.22 1.48 3.57 -3.96 0.00 -1.23 0.18 105.19 106.45 2wkg n GLY 100 Ca 0.22 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2wkg n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wkg s GLY 101 N 0.00 2.30 0.51 -0.02 0.00 -1.26 -4.36 107.32 104.49 2wkg s GLY 101 Ca 0.00 -2.16 0.33 0.00 0.00 0.00 0.00 44.72 42.88 2wkg s GLY 101 CO 0.00 -2.05 1.96 3.43 0.00 0.00 0.00 173.10 176.44 2wkg h ASN 102 N 1.93 0.00 0.10 1.64 4.21 -1.89 -1.24 115.58 120.32 2wkg h ASN 102 Ca -0.43 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 56.76 2wkg h ASN 102 Cb 1.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.43 2wkg h ASN 102 CO 0.74 0.00 -1.77 -0.08 -1.29 0.00 0.00 177.43 175.03 2wkg h GLU 103 N 0.00 0.21 0.60 0.81 4.22 -1.96 -3.34 114.58 115.12 2wkg h GLU 103 Ca 0.00 -0.36 -0.03 0.00 0.08 0.00 0.00 59.36 59.05 2wkg h GLU 103 Cb 0.45 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2wkg h GLU 103 CO 0.00 1.17 -0.29 0.00 -2.18 0.00 0.00 179.01 177.71 2wkg h ALA 104 N -0.07 -0.80 -1.00 2.92 0.00 -1.87 -2.95 119.26 115.48 2wkg h ALA 104 Ca -0.40 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.53 2wkg h ALA 104 Cb 1.85 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 19.84 2wkg h ALA 104 CO 0.02 -0.86 0.61 0.35 0.00 0.00 0.00 179.25 179.37 2wkg h PHE 105 N -0.99 1.02 -0.65 0.00 3.57 -1.45 0.17 116.94 118.61 2wkg h PHE 105 Ca -0.08 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2wkg h PHE 105 Cb 0.67 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2wkg h PHE 105 CO -0.00 0.17 0.36 -0.22 -2.23 0.00 0.00 178.31 176.39 2wkg h LYS 106 N 0.68 0.65 -0.27 1.11 1.63 -1.66 0.13 116.57 118.84 2wkg h LYS 106 Ca 0.60 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 60.25 2wkg h LYS 106 Cb 1.05 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2wkg h LYS 106 CO -0.40 0.43 -0.31 0.93 -3.45 0.00 0.00 179.45 176.65 2wkg h GLU 107 N 0.67 0.56 -0.37 1.90 5.08 -0.53 -1.99 114.58 119.90 2wkg h GLU 107 Ca 0.29 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2wkg h GLU 107 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2wkg h GLU 107 CO -0.18 0.81 0.08 1.25 -1.00 0.00 0.00 179.01 179.97 2wkg h LEU 108 N 0.48 0.57 0.03 1.33 5.85 -0.65 -1.32 115.31 121.60 2wkg h LEU 108 Ca 0.06 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2wkg h LEU 108 Cb 0.77 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 2wkg h LEU 108 CO 0.06 0.66 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.74 2wkg h LEU 109 N 0.45 -0.04 -0.90 2.25 3.38 -0.82 0.19 115.31 119.81 2wkg h LEU 109 Ca 0.11 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2wkg h LEU 109 Cb 0.33 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.94 2wkg h LEU 109 CO 0.00 -0.03 -0.35 0.47 0.09 0.00 0.00 178.44 178.63 2wkg n ASP 110 N -2.22 -0.57 0.09 -0.43 10.43 -0.76 -0.16 116.55 122.92 2wkg n ASP 110 Ca -0.01 1.57 -0.12 0.00 2.57 0.00 0.00 54.79 58.80 2wkg n ASP 110 Cb 0.02 -0.36 -0.05 0.00 1.84 0.00 0.00 41.12 42.56 2wkg n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wkg h ALA 111 N 1.26 -0.46 -0.24 2.24 0.00 -1.11 -0.72 119.26 120.23 2wkg h ALA 111 Ca 0.32 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.25 2wkg h ALA 111 Cb 0.54 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2wkg h ALA 111 CO -0.89 -0.82 -0.08 0.00 0.00 0.00 0.00 179.25 177.46 2wkg h ALA 112 N 0.25 0.13 -0.85 0.00 0.00 0.26 -2.69 119.26 116.35 2wkg h ALA 112 Ca 0.05 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2wkg h ALA 112 Cb 0.53 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2wkg h ALA 112 CO -0.21 -0.49 0.57 0.45 0.00 0.00 0.00 179.25 179.56 2wkg h HIS 113 N -0.04 1.06 0.00 0.00 -0.00 -0.19 -0.23 115.15 115.75 2wkg h HIS 113 Ca 0.12 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2wkg h HIS 113 Cb 0.22 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 2wkg h HIS 113 CO -0.26 0.66 0.00 0.00 -0.00 0.00 0.00 177.93 178.33 2wkg n GLN 114 N -4.41 0.26 -0.02 2.45 10.64 -0.31 -0.72 117.38 125.27 2wkg n GLN 114 Ca 0.10 0.09 0.03 0.00 -1.83 0.00 0.00 57.00 55.39 2wkg n GLN 114 Cb 0.04 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 27.95 2wkg n GLN 114 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2wkg n ARG 115 N -1.15 0.39 -3.18 2.61 1.74 -0.18 -4.99 116.66 111.91 2wkg n ARG 115 Ca 0.07 -1.02 -0.15 0.00 -0.77 0.00 0.00 57.85 55.98 2wkg n ARG 115 Cb 0.07 -1.11 0.05 0.00 -1.02 0.00 0.00 32.46 30.44 2wkg n ARG 115 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wkg n ASN 116 N 0.26 -4.65 -4.17 0.55 4.13 0.10 -5.00 115.26 106.48 2wkg n ASN 116 Ca 0.04 -0.34 -0.34 0.00 1.68 0.00 0.00 54.58 55.61 2wkg n ASN 116 Cb 0.18 -3.36 -0.14 0.00 -1.54 0.00 0.00 39.78 34.92 2wkg n ASN 116 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wkg s ILE 117 N -3.20 2.86 0.99 2.41 1.01 -0.71 -4.79 121.20 119.75 2wkg s ILE 117 Ca 0.35 -1.32 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 2wkg s ILE 117 Cb -0.16 -2.60 0.18 0.00 0.01 0.00 0.00 42.46 39.90 2wkg s ILE 117 CO 0.46 -0.02 1.09 -0.54 0.00 0.00 0.00 174.94 175.93 2wkg s LYS 118 N 1.25 0.53 -0.13 2.79 -0.14 -0.98 -3.81 119.74 119.25 2wkg s LYS 118 Ca -0.04 0.63 -0.04 0.00 -1.36 0.00 0.00 55.97 55.16 2wkg s LYS 118 Cb -0.19 -1.74 0.07 0.00 -1.68 0.00 0.00 37.83 34.29 2wkg s LYS 118 CO -0.02 -2.69 0.19 0.08 -0.76 0.00 0.00 175.35 172.15 2wkg s VAL 119 N -2.92 -0.29 -0.09 3.17 1.01 -1.25 -0.42 120.40 119.61 2wkg s VAL 119 Ca 0.65 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 2wkg s VAL 119 Cb -0.19 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2wkg s VAL 119 CO 0.58 0.00 0.01 -0.69 0.00 0.00 0.00 175.10 175.00 2wkg s VAL 120 N 2.31 4.35 0.13 2.92 1.01 0.91 -1.37 120.40 130.67 2wkg s VAL 120 Ca 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2wkg s VAL 120 Cb -0.13 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2wkg s VAL 120 CO -0.08 0.60 -0.00 -0.76 0.00 0.00 0.00 175.10 174.85 2wkg s LEU 121 N -0.83 3.36 -0.37 3.92 1.43 -1.05 -2.24 118.68 122.90 2wkg s LEU 121 Ca 0.13 -0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 2wkg s LEU 121 Cb -0.11 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.06 2wkg s LEU 121 CO 0.02 0.13 0.78 -0.62 0.23 0.00 0.00 176.35 176.89 2wkg s ASP 122 N -2.63 6.54 -0.26 2.29 -1.08 -1.26 0.12 116.67 120.37 2wkg s ASP 122 Ca 0.26 0.31 -0.14 0.00 -0.52 0.00 0.00 52.55 52.46 2wkg s ASP 122 Cb -0.10 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 2wkg s ASP 122 CO 0.18 -0.75 0.35 -0.83 0.52 0.00 0.00 175.17 174.64 2wkg s GLY 123 N 1.87 1.90 -0.70 2.66 0.00 0.22 -4.52 107.32 108.75 2wkg s GLY 123 Ca 0.31 -0.83 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2wkg s GLY 123 CO 0.17 0.91 0.57 0.14 0.00 0.00 0.00 173.10 174.89 2wkg s VAL 124 N 1.95 4.44 -1.71 1.40 1.01 -1.26 -1.98 120.40 124.24 2wkg s VAL 124 Ca 0.14 -2.78 0.15 0.00 0.00 0.00 0.00 61.98 59.49 2wkg s VAL 124 Cb -0.16 -3.82 0.17 0.00 0.00 0.00 0.00 36.38 32.57 2wkg s VAL 124 CO 0.10 -0.94 1.04 0.49 0.00 0.00 0.00 175.10 175.79 2wkg n PHE 125 N 3.66 0.12 0.09 5.22 3.72 -1.26 -4.43 117.46 124.59 2wkg n PHE 125 Ca 0.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 2wkg n PHE 125 Cb 0.41 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.90 2wkg n PHE 125 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2wkg h ASN 126 N 2.84 0.00 -5.00 4.37 -0.73 -1.90 -3.45 115.58 111.71 2wkg h ASN 126 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 2wkg h ASN 126 Cb 0.65 0.00 -0.19 0.00 0.27 0.00 0.00 38.32 39.05 2wkg h ASN 126 CO 0.00 0.73 0.12 -1.38 -0.37 0.00 0.00 177.43 176.53 2wkg s HIS 127 N -2.84 -0.58 0.00 0.67 -3.43 -1.26 -1.43 115.29 106.42 2wkg s HIS 127 Ca 0.02 0.96 0.00 0.00 -0.80 0.00 0.00 55.06 55.24 2wkg s HIS 127 Cb 0.09 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 2wkg s HIS 127 CO 0.78 -0.58 0.00 -1.13 -2.00 0.00 0.00 174.74 171.81 2wkg n SER 128 N 0.92 0.00 -3.94 7.38 3.41 -0.66 -4.67 113.62 116.05 2wkg n SER 128 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 2wkg n SER 128 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 2wkg n SER 128 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wkg s SER 129 N 0.08 -0.13 0.28 4.04 1.04 -1.06 -3.86 113.70 114.09 2wkg s SER 129 Ca 0.00 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 2wkg s SER 129 Cb 0.00 0.59 0.46 0.00 0.10 0.00 0.00 66.02 67.17 2wkg s SER 129 CO 0.00 -1.14 1.90 0.03 0.98 0.00 0.00 173.24 175.01 2wkg h ARG 130 N 2.23 1.09 0.00 4.02 3.08 -1.87 -1.97 114.38 120.96 2wkg h ARG 130 Ca -0.26 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 2wkg h ARG 130 Cb 1.25 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2wkg h ARG 130 CO 0.35 0.72 -0.27 0.78 -1.07 0.00 0.00 179.97 180.48 2wkg h GLY 131 N 1.12 0.00 -5.92 0.04 0.00 -1.93 -3.27 103.07 93.11 2wkg h GLY 131 Ca 0.40 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 47.01 2wkg h GLY 131 CO -0.15 0.00 0.60 0.33 0.00 0.00 0.00 176.54 177.32 2wkg n PHE 132 N -3.66 1.65 -0.15 5.60 7.35 -0.74 -4.63 117.46 122.87 2wkg n PHE 132 Ca -0.01 0.67 -0.04 0.00 -0.76 0.00 0.00 57.45 57.31 2wkg n PHE 132 Cb 0.39 -2.35 -0.04 0.00 0.35 0.00 0.00 39.48 37.83 2wkg n PHE 132 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wkg n PHE 133 N 3.58 -0.16 0.04 -5.13 7.35 -1.26 -0.82 117.46 121.07 2wkg n PHE 133 Ca 0.22 0.46 0.06 0.00 -0.76 0.00 0.00 57.45 57.43 2wkg n PHE 133 Cb 0.14 -0.48 0.48 0.00 0.35 0.00 0.00 39.48 39.98 2wkg n PHE 133 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2wkg h PHE 134 N 0.00 0.40 -0.14 -5.13 -1.00 -1.95 0.01 116.94 109.13 2wkg h PHE 134 Ca 0.06 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 2wkg h PHE 134 Cb 0.15 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 2wkg h PHE 134 CO -0.79 0.24 -0.06 0.35 -1.61 0.00 0.00 178.31 176.44 2wkg h PHE 135 N 0.42 0.32 -0.71 -0.55 3.57 -1.58 -2.61 116.94 115.80 2wkg h PHE 135 Ca 0.14 -0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.69 2wkg h PHE 135 Cb 0.03 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 38.56 2wkg h PHE 135 CO -0.00 0.61 -0.23 1.25 -2.23 0.00 0.00 178.31 177.71 2wkg h HIS 136 N -0.05 -0.55 -0.34 0.41 2.76 0.50 0.24 115.15 118.12 2wkg h HIS 136 Ca 0.03 0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.35 2wkg h HIS 136 Cb 0.52 0.35 -0.08 0.00 1.55 0.00 0.00 27.41 29.75 2wkg h HIS 136 CO 0.06 -0.34 -0.22 0.22 -1.30 0.00 0.00 177.93 176.36 2wkg h ASP 137 N -0.04 -0.72 -0.17 3.26 1.82 -0.84 0.14 116.42 119.87 2wkg h ASP 137 Ca 0.32 0.15 0.05 0.00 -0.39 0.00 0.00 57.03 57.17 2wkg h ASP 137 Cb 0.55 0.37 -0.07 0.00 0.68 0.00 0.00 39.33 40.86 2wkg h ASP 137 CO -0.75 -0.25 -0.32 0.58 -1.61 0.00 0.00 179.24 176.89 2wkg h VAL 138 N -0.17 0.27 -0.95 2.25 2.07 -0.21 0.70 116.25 120.21 2wkg h VAL 138 Ca 0.17 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 2wkg h VAL 138 Cb 0.44 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 2wkg h VAL 138 CO -0.45 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 177.68 2wkg h LEU 139 N -0.38 0.80 0.01 2.57 3.38 -0.01 0.55 115.31 122.23 2wkg h LEU 139 Ca 0.10 0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 2wkg h LEU 139 Cb 0.55 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wkg h LEU 139 CO -0.38 0.41 -1.11 -0.08 0.09 0.00 0.00 178.44 177.37 2wkg h GLU 140 N 0.85 0.22 -0.38 1.13 4.57 0.74 -3.35 114.58 118.35 2wkg h GLU 140 Ca 0.48 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2wkg h GLU 140 Cb 0.62 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2wkg h GLU 140 CO -0.25 1.12 0.00 0.09 -1.18 0.00 0.00 179.01 178.80 2wkg n ASN 141 N -3.53 3.30 0.00 1.04 5.03 0.23 -5.06 115.26 116.27 2wkg n ASN 141 Ca -0.06 -2.22 0.00 0.00 0.87 0.00 0.00 54.58 53.18 2wkg n ASN 141 Cb 0.96 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 2wkg n ASN 141 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wkg n GLY 142 N 0.44 1.31 0.41 7.41 0.00 0.19 -0.43 105.19 114.51 2wkg n GLY 142 Ca 0.15 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.21 2wkg n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wkg h PRO 143 N 0.00 0.00 -0.00 1.61 0.11 -1.98 -1.59 132.00 130.15 2wkg h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wkg h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wkg h PRO 143 CO 0.00 0.00 -0.22 0.72 -0.21 0.00 0.00 178.00 178.29 2wkg n HIS 144 N -3.50 0.00 -1.79 0.65 8.25 0.42 -4.92 115.22 114.33 2wkg n HIS 144 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2wkg n HIS 144 Cb 0.77 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 2wkg n HIS 144 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wkg s SER 145 N -2.59 6.37 0.58 0.41 0.15 -0.60 -4.88 113.70 113.13 2wkg s SER 145 Ca 0.24 2.98 0.33 0.00 0.70 0.00 0.00 55.95 60.21 2wkg s SER 145 Cb 0.19 -2.65 1.75 0.00 -1.71 0.00 0.00 66.02 63.61 2wkg s SER 145 CO 0.53 -0.89 2.16 -0.65 1.20 0.00 0.00 173.24 175.59 2wkg h PRO 146 N 4.12 0.00 -2.09 5.44 0.11 -1.91 -3.23 132.00 134.45 2wkg h PRO 146 Ca -0.48 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.03 2wkg h PRO 146 Cb 1.23 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.92 2wkg h PRO 146 CO 0.73 0.05 -0.66 0.91 -0.21 0.00 0.00 178.00 178.83 2wkg n TRP 147 N -3.42 3.90 0.08 0.65 8.01 -1.26 -4.69 117.44 120.70 2wkg n TRP 147 Ca -0.02 -3.77 -0.01 0.00 -1.31 0.00 0.00 57.50 52.40 2wkg n TRP 147 Cb 0.18 -0.39 -0.05 0.00 -2.01 0.00 0.00 31.31 29.05 2wkg n TRP 147 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 2wkg h VAL 148 N 2.87 0.91 -0.25 -0.99 2.07 -1.93 -3.19 116.25 115.75 2wkg h VAL 148 Ca 0.18 -2.41 -0.06 0.00 0.82 0.00 0.00 66.70 65.23 2wkg h VAL 148 Cb 0.61 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 2wkg h VAL 148 CO 0.83 0.52 0.07 -3.20 0.02 0.00 0.00 177.57 175.81 2wkg n ASN 149 N -3.13 2.85 -0.00 0.57 5.15 -1.26 -3.23 115.26 116.20 2wkg n ASN 149 Ca -0.03 -2.40 0.07 0.00 -0.60 0.00 0.00 54.58 51.62 2wkg n ASN 149 Cb 0.83 -0.58 -0.10 0.00 -0.53 0.00 0.00 39.78 39.39 2wkg n ASN 149 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2wkg n TRP 150 N 0.13 0.00 -4.08 1.20 7.02 -1.21 -4.84 117.44 115.66 2wkg n TRP 150 Ca 0.13 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.57 2wkg n TRP 150 Cb 0.69 -0.18 -0.01 0.00 -2.42 0.00 0.00 31.31 29.39 2wkg n TRP 150 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2wkg n PHE 151 N -1.70 0.06 -3.44 -5.99 3.01 -1.20 -0.94 117.46 107.26 2wkg n PHE 151 Ca 0.00 -0.36 -0.42 0.00 1.01 0.00 0.00 57.45 57.68 2wkg n PHE 151 Cb 0.32 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 2wkg n PHE 151 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2wkg s LYS 152 N -2.23 3.81 -0.30 -1.08 -0.14 -1.23 -4.60 119.74 113.97 2wkg s LYS 152 Ca 0.02 -3.15 -0.12 0.00 -1.36 0.00 0.00 55.97 51.36 2wkg s LYS 152 Cb 0.00 -4.33 -0.04 0.00 -1.68 0.00 0.00 37.83 31.78 2wkg s LYS 152 CO 0.01 -1.25 0.22 0.42 -0.76 0.00 0.00 175.35 173.99 2wkg s ILE 153 N -1.13 5.29 -0.01 2.17 1.01 -1.26 -0.65 121.20 126.63 2wkg s ILE 153 Ca 0.28 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.71 2wkg s ILE 153 Cb -0.09 -3.61 -0.17 0.00 0.01 0.00 0.00 42.46 38.59 2wkg s ILE 153 CO -0.09 0.14 1.18 -0.33 0.00 0.00 0.00 174.94 175.84 2wkg h GLU 154 N 8.42 -0.29 0.00 2.79 5.08 0.63 -3.48 114.58 127.72 2wkg h GLU 154 Ca -0.33 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2wkg h GLU 154 Cb 1.18 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2wkg h GLU 154 CO 0.59 0.06 0.43 0.41 -1.00 0.00 0.00 179.01 179.50 2wkg n GLY 155 N -0.08 0.62 3.46 -3.84 0.00 -1.19 -5.06 105.19 99.10 2wkg n GLY 155 Ca -0.09 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 2wkg n GLY 155 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wkg s TRP 156 N -3.07 2.34 0.21 1.61 0.51 -1.26 -4.33 118.94 114.96 2wkg s TRP 156 Ca 0.15 -0.33 -0.13 0.00 -2.12 0.00 0.00 56.10 53.66 2wkg s TRP 156 Cb -0.01 -1.10 -0.08 0.00 -0.81 0.00 0.00 33.47 31.48 2wkg s TRP 156 CO 0.01 0.59 0.60 -1.25 -0.51 0.00 0.00 176.95 176.39 2wkg s PRO 157 N -3.05 3.96 0.77 4.98 0.04 -1.26 -5.08 135.00 135.36 2wkg s PRO 157 Ca 0.25 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 2wkg s PRO 157 Cb -0.07 -2.75 0.05 0.00 0.04 0.00 0.00 34.50 31.78 2wkg s PRO 157 CO 0.13 0.36 1.08 -0.51 0.04 0.00 0.00 177.00 178.10 2wkg s LEU 158 N -2.41 2.79 -0.41 -3.56 1.43 -1.26 -4.45 118.68 110.81 2wkg s LEU 158 Ca 0.44 1.50 0.09 0.00 -1.03 0.00 0.00 54.13 55.13 2wkg s LEU 158 Cb -0.13 -4.19 0.29 0.00 0.03 0.00 0.00 46.19 42.19 2wkg s LEU 158 CO 0.20 -1.89 0.70 -0.24 0.23 0.00 0.00 176.35 175.35 2wkg n SER 159 N -3.40 -0.34 -0.33 2.29 2.88 -1.24 -4.90 113.62 108.59 2wkg n SER 159 Ca 0.07 -2.99 0.19 0.00 -1.33 0.00 0.00 58.87 54.82 2wkg n SER 159 Cb 0.55 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.42 2wkg n SER 159 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wkg h PRO 160 N 3.58 0.40 0.00 -1.46 0.13 -1.91 -3.19 132.00 129.54 2wkg h PRO 160 Ca 0.03 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2wkg h PRO 160 Cb 0.95 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2wkg h PRO 160 CO 0.42 0.26 -1.53 0.66 -0.23 0.00 0.00 178.00 177.58 2wkg n TYR 161 N -5.01 0.00 -2.73 1.56 4.02 -1.26 -4.79 117.16 108.95 2wkg n TYR 161 Ca 0.28 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.74 2wkg n TYR 161 Cb 0.84 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 2wkg n TYR 161 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2wkg s ASN 162 N -3.45 6.80 0.06 7.72 3.04 -1.20 -4.94 114.94 122.97 2wkg s ASN 162 Ca -0.04 0.83 -0.33 0.00 0.04 0.00 0.00 52.86 53.36 2wkg s ASN 162 Cb 0.06 -2.50 -0.19 0.00 -1.54 0.00 0.00 41.25 37.08 2wkg s ASN 162 CO 0.43 -0.86 1.56 1.23 -3.04 0.00 0.00 177.10 176.43 2wkg h GLY 163 N 10.06 -1.00 -1.88 1.21 0.00 -1.92 -3.09 103.07 106.44 2wkg h GLY 163 Ca -0.22 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wkg h GLY 163 CO 1.00 -0.36 0.00 -1.84 0.00 0.00 0.00 176.54 175.34 2wkg n GLU 164 N -5.49 0.79 -4.37 4.80 0.28 -1.26 -4.51 120.64 110.88 2wkg n GLU 164 Ca -0.14 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.63 2wkg n GLU 164 Cb 0.39 -1.14 -0.13 0.00 1.43 0.00 0.00 31.44 31.99 2wkg n GLU 164 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2wkg s PHE 165 N 0.07 1.61 -0.39 -1.84 0.40 -1.17 -5.10 117.98 111.57 2wkg s PHE 165 Ca 0.00 -0.40 -0.36 0.00 -0.60 0.00 0.00 56.93 55.57 2wkg s PHE 165 Cb 0.00 -0.92 -0.15 0.00 0.51 0.00 0.00 43.02 42.46 2wkg s PHE 165 CO 0.00 0.13 1.36 -2.30 0.70 0.00 0.00 175.22 175.11 2wkg n PRO 166 N 1.44 0.00 -3.05 0.24 -0.02 -1.26 -4.92 135.00 127.43 2wkg n PRO 166 Ca -0.19 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 2wkg n PRO 166 Cb 0.54 -1.16 -0.06 0.00 -0.02 0.00 0.00 33.50 32.80 2wkg n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wkg s ALA 167 N 3.02 3.48 -0.72 3.55 0.00 -1.26 -3.62 121.76 126.20 2wkg s ALA 167 Ca 0.85 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 2wkg s ALA 167 Cb -1.16 -3.21 -0.16 0.00 0.00 0.00 0.00 23.12 18.59 2wkg s ALA 167 CO 0.60 -1.27 3.26 0.09 0.00 0.00 0.00 175.76 178.43 2wkg n ASN 168 N 6.10 6.83 -3.76 0.00 4.13 -1.26 -4.76 115.26 122.54 2wkg n ASN 168 Ca 0.01 -2.60 -0.13 0.00 1.68 0.00 0.00 54.58 53.54 2wkg n ASN 168 Cb 0.48 -1.46 -0.12 0.00 -1.54 0.00 0.00 39.78 37.15 2wkg n ASN 168 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2wkg s TYR 169 N 1.16 -0.35 0.25 3.10 -0.85 -1.26 0.13 117.35 119.53 2wkg s TYR 169 Ca 0.67 0.82 -0.31 0.00 -0.52 0.00 0.00 57.07 57.73 2wkg s TYR 169 Cb 0.26 0.11 -0.12 0.00 0.38 0.00 0.00 41.96 42.60 2wkg s TYR 169 CO -0.04 -0.19 1.67 0.08 -1.52 0.00 0.00 175.55 175.56 2wkg s VAL 170 N 0.49 2.00 0.57 -3.49 1.01 0.18 -4.93 120.40 116.24 2wkg s VAL 170 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2wkg s VAL 170 Cb -0.04 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.41 2wkg s VAL 170 CO -0.03 0.00 0.79 -0.83 0.00 0.00 0.00 175.10 175.04 2wkg s GLY 171 N 0.87 1.80 -0.12 4.51 0.00 -1.17 -2.54 107.32 110.67 2wkg s GLY 171 Ca 0.70 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 2wkg s GLY 171 CO 0.40 -1.40 1.87 0.86 0.00 0.00 0.00 173.10 174.83 2wkg s TRP 172 N -2.73 1.61 -1.28 1.90 -0.11 -0.40 -3.84 118.94 114.08 2wkg s TRP 172 Ca 0.61 0.19 -0.02 0.00 1.22 0.00 0.00 56.10 58.10 2wkg s TRP 172 Cb -0.07 -4.04 -0.00 0.00 -1.50 0.00 0.00 33.47 27.85 2wkg s TRP 172 CO 0.39 -4.13 0.71 0.00 -4.62 0.00 0.00 176.95 169.29 2wkg n ALA 173 N 8.77 -2.08 -3.84 5.86 0.00 -1.26 -1.84 120.51 126.13 2wkg n ALA 173 Ca 0.21 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 2wkg n ALA 173 Cb 0.44 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.66 2wkg n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkg n GLY 174 N -1.57 -0.50 3.55 0.00 0.00 -1.25 -4.99 105.19 100.42 2wkg n GLY 174 Ca -0.28 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2wkg n GLY 174 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wkg s ASN 175 N -3.25 4.32 0.00 1.61 3.84 -0.76 -4.90 114.94 115.80 2wkg s ASN 175 Ca 0.64 -0.26 0.20 0.00 0.21 0.00 0.00 52.86 53.65 2wkg s ASN 175 Cb -0.32 -0.90 0.34 0.00 -0.55 0.00 0.00 41.25 39.83 2wkg s ASN 175 CO 0.79 0.26 1.30 -2.11 -2.79 0.00 0.00 177.10 174.55 2wkg n ARG 176 N 1.46 2.27 0.00 0.43 1.85 -1.26 -3.07 116.66 118.34 2wkg n ARG 176 Ca -0.15 -2.08 0.10 0.00 -1.00 0.00 0.00 57.85 54.71 2wkg n ARG 176 Cb 0.52 -1.44 -0.02 0.00 -1.05 0.00 0.00 32.46 30.47 2wkg n ARG 176 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wkg n ALA 177 N 1.25 3.60 -3.24 2.89 0.00 -1.26 -4.62 120.51 119.13 2wkg n ALA 177 Ca 0.16 -0.59 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 2wkg n ALA 177 Cb 0.54 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 2wkg n ALA 177 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wkg n LEU 178 N -0.29 3.45 -4.69 0.00 7.99 -1.25 -4.01 117.00 118.20 2wkg n LEU 178 Ca 0.07 -5.42 -0.51 0.00 -0.01 0.00 0.00 56.01 50.15 2wkg n LEU 178 Cb 0.40 -0.42 -0.05 0.00 -0.11 0.00 0.00 43.42 43.23 2wkg n LEU 178 CO 0.27 2.16 1.41 -2.65 -1.51 0.00 0.00 177.39 177.08 2wkg n PRO 179 N 0.55 1.87 -2.67 3.23 -0.02 -1.26 -1.28 135.00 135.43 2wkg n PRO 179 Ca 0.29 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 62.05 2wkg n PRO 179 Cb 0.43 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 2wkg n PRO 179 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wkg s GLU 180 N 3.64 4.76 0.76 -0.52 2.02 -1.05 -1.66 118.70 126.65 2wkg s GLU 180 Ca 0.93 1.57 -0.11 0.00 0.02 0.00 0.00 54.97 57.38 2wkg s GLU 180 Cb -0.80 -3.27 0.05 0.00 0.10 0.00 0.00 34.13 30.20 2wkg s GLU 180 CO 0.54 0.37 1.09 -0.06 0.02 0.00 0.00 175.26 177.22 2wkg s PHE 181 N -0.92 3.00 -0.98 1.61 0.40 -0.51 -3.53 117.98 117.06 2wkg s PHE 181 Ca 0.43 1.14 -0.05 0.00 -0.60 0.00 0.00 56.93 57.85 2wkg s PHE 181 Cb -0.27 -3.08 0.24 0.00 0.51 0.00 0.00 43.02 40.42 2wkg s PHE 181 CO 0.34 -1.55 0.92 1.21 0.70 0.00 0.00 175.22 176.84 2wkg s ASN 182 N -4.03 6.59 0.64 1.36 2.47 -0.12 -4.71 114.94 117.14 2wkg s ASN 182 Ca 0.60 -3.61 0.33 0.00 0.42 0.00 0.00 52.86 50.59 2wkg s ASN 182 Cb -0.13 -2.05 1.78 0.00 -1.45 0.00 0.00 41.25 39.40 2wkg s ASN 182 CO 0.54 -0.25 2.04 0.45 -3.72 0.00 0.00 177.10 176.16 2wkg h HIS 183 N 6.38 0.00 -0.05 0.43 3.86 -1.94 0.11 115.15 123.95 2wkg h HIS 183 Ca 0.16 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2wkg h HIS 183 Cb 0.85 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 2wkg h HIS 183 CO 0.75 0.00 -0.27 -0.44 0.86 0.00 0.00 177.93 178.82 2wkg h ASP 184 N 0.00 0.08 -2.55 2.45 3.45 -1.97 -3.41 116.42 114.47 2wkg h ASP 184 Ca 0.04 -0.02 -0.56 0.00 0.43 0.00 0.00 57.03 56.91 2wkg h ASP 184 Cb 0.56 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 2wkg h ASP 184 CO -0.00 0.36 1.20 0.21 -1.57 0.00 0.00 179.24 179.44 2wkg s ASN 185 N -6.93 6.27 0.26 6.45 3.84 0.03 -4.90 114.94 119.95 2wkg s ASN 185 Ca -0.04 1.92 -0.03 0.00 0.21 0.00 0.00 52.86 54.92 2wkg s ASN 185 Cb 0.15 -2.53 0.52 0.00 -0.55 0.00 0.00 41.25 38.84 2wkg s ASN 185 CO 0.73 -1.30 1.68 -0.65 -2.79 0.00 0.00 177.10 174.77 2wkg h PRO 186 N 11.27 0.27 -0.91 0.43 0.11 -1.87 0.15 132.00 141.44 2wkg h PRO 186 Ca -0.38 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.81 2wkg h PRO 186 Cb 1.18 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2wkg h PRO 186 CO 0.98 0.18 0.59 0.93 -0.21 0.00 0.00 178.00 180.47 2wkg h GLU 187 N 0.28 0.90 -0.07 1.05 5.08 -1.95 -0.94 114.58 118.93 2wkg h GLU 187 Ca 0.45 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2wkg h GLU 187 Cb 0.79 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2wkg h GLU 187 CO -0.53 0.59 -0.13 0.28 -1.00 0.00 0.00 179.01 178.22 2wkg h VAL 188 N 0.92 1.41 -0.76 3.13 2.07 -1.30 -1.90 116.25 119.82 2wkg h VAL 188 Ca 0.42 -1.41 0.11 0.00 0.82 0.00 0.00 66.70 66.64 2wkg h VAL 188 Cb 0.40 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 2wkg h VAL 188 CO -0.19 0.39 0.50 0.03 0.02 0.00 0.00 177.57 178.33 2wkg h ARG 189 N -0.27 0.61 0.36 1.57 3.08 -0.85 -1.14 114.38 117.75 2wkg h ARG 189 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2wkg h ARG 189 Cb 0.70 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2wkg h ARG 189 CO 0.03 0.41 -0.17 0.93 -1.07 0.00 0.00 179.97 180.09 2wkg h GLU 190 N 0.63 -0.47 -0.92 0.04 4.39 -1.08 -0.99 114.58 116.18 2wkg h GLU 190 Ca 0.36 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.24 2wkg h GLU 190 Cb 0.54 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 2wkg h GLU 190 CO -0.13 -0.16 0.59 -0.92 -1.16 0.00 0.00 179.01 177.22 2wkg h TYR 191 N -0.81 0.87 -0.11 4.33 5.03 -0.81 -1.05 116.97 124.43 2wkg h TYR 191 Ca -0.05 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.21 2wkg h TYR 191 Cb 0.53 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.53 2wkg h TYR 191 CO 0.02 0.31 -0.24 0.82 -1.32 0.00 0.00 178.16 177.75 2wkg h ILE 192 N 0.73 1.39 -0.72 1.81 2.04 -1.18 -2.75 117.51 118.81 2wkg h ILE 192 Ca 0.47 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.89 2wkg h ILE 192 Cb 0.72 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 2wkg h ILE 192 CO -0.23 0.44 0.48 0.24 0.00 0.00 0.00 178.15 179.08 2wkg h MET 193 N -0.08 0.64 -0.37 2.37 2.86 -0.16 -1.72 114.93 118.47 2wkg h MET 193 Ca 0.00 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 2wkg h MET 193 Cb 0.83 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2wkg h MET 193 CO 0.05 0.42 -0.35 0.93 1.06 0.00 0.00 176.91 179.02 2wkg h GLU 194 N 0.65 0.86 -1.01 1.72 5.08 -1.17 -1.83 114.58 118.88 2wkg h GLU 194 Ca 0.33 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2wkg h GLU 194 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2wkg h GLU 194 CO -0.11 1.07 0.67 0.82 -1.00 0.00 0.00 179.01 180.45 2wkg h ILE 195 N 0.71 1.24 -0.63 3.13 2.04 -1.02 0.40 117.51 123.38 2wkg h ILE 195 Ca 0.07 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2wkg h ILE 195 Cb 0.92 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2wkg h ILE 195 CO 0.09 0.25 0.12 0.00 0.00 0.00 0.00 178.15 178.60 2wkg h ALA 196 N 1.38 0.84 -0.29 1.87 0.00 -1.20 -2.61 119.26 119.25 2wkg h ALA 196 Ca 0.38 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2wkg h ALA 196 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2wkg h ALA 196 CO -0.09 0.59 -0.53 0.93 0.00 0.00 0.00 179.25 180.15 2wkg h GLU 197 N 0.96 0.88 -0.06 0.00 5.08 -0.56 -2.73 114.58 118.14 2wkg h GLU 197 Ca 0.19 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2wkg h GLU 197 Cb 0.41 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2wkg h GLU 197 CO 0.01 1.19 -0.11 -0.92 -1.00 0.00 0.00 179.01 178.18 2wkg h TYR 198 N 0.67 -0.27 0.00 4.33 3.20 -0.09 -0.05 116.97 124.76 2wkg h TYR 198 Ca 0.02 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2wkg h TYR 198 Cb 1.14 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2wkg h TYR 198 CO 0.07 -0.16 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.43 2wkg h TRP 199 N -0.16 0.00 -0.41 -3.82 4.06 -1.53 -0.12 115.95 113.97 2wkg h TRP 199 Ca 0.06 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.92 2wkg h TRP 199 Cb 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 2wkg h TRP 199 CO -0.20 0.51 -0.08 -0.07 -3.56 0.00 0.00 178.44 175.04 2wkg h LEU 200 N 0.00 0.79 -0.73 -4.49 3.38 -1.14 -2.02 115.31 111.10 2wkg h LEU 200 Ca -0.01 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 2wkg h LEU 200 Cb 0.91 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2wkg h LEU 200 CO 0.07 0.96 0.01 0.11 0.09 0.00 0.00 178.44 179.68 2wkg h LYS 201 N 0.61 0.98 -0.96 1.13 1.57 -0.74 -2.22 116.57 116.94 2wkg h LYS 201 Ca 0.11 -0.29 0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2wkg h LYS 201 Cb 0.61 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 2wkg h LYS 201 CO 0.04 0.96 0.61 0.35 -0.57 0.00 0.00 179.45 180.83 2wkg h PHE 202 N 0.90 1.00 0.00 -1.35 3.57 -0.61 -3.46 116.94 117.00 2wkg h PHE 202 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2wkg h PHE 202 Cb 0.52 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2wkg h PHE 202 CO 0.03 0.37 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 2wkg n GLY 203 N -1.38 -0.76 3.82 2.40 0.00 -0.79 -5.09 105.19 103.38 2wkg n GLY 203 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2wkg n GLY 203 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wkg s ILE 204 N -0.20 4.00 -2.23 -0.61 -4.36 -1.01 -4.95 121.20 111.83 2wkg s ILE 204 Ca 0.00 0.82 0.23 0.00 -0.26 0.00 0.00 60.65 61.44 2wkg s ILE 204 Cb 0.00 -3.44 0.55 0.00 1.25 0.00 0.00 42.46 40.81 2wkg s ILE 204 CO 0.00 -0.68 1.48 0.47 0.24 0.00 0.00 174.94 176.45 2wkg n ASP 205 N -2.42 3.73 0.00 4.36 8.00 -0.47 -4.74 116.55 125.00 2wkg n ASP 205 Ca 0.08 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2wkg n ASP 205 Cb 0.53 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2wkg n ASP 205 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wkg n GLY 206 N 1.60 1.49 3.27 0.44 0.00 -1.25 -1.19 105.19 109.55 2wkg n GLY 206 Ca 0.22 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 2wkg n GLY 206 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wkg s TRP 207 N -2.00 2.43 -0.30 1.61 0.52 0.13 -2.52 118.94 118.81 2wkg s TRP 207 Ca 0.00 -0.71 -0.20 0.00 0.02 0.00 0.00 56.10 55.21 2wkg s TRP 207 Cb 0.00 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 2wkg s TRP 207 CO 0.00 -0.21 0.61 0.50 0.02 0.00 0.00 176.95 177.87 2wkg s ARG 208 N -0.18 3.90 -0.35 4.98 3.52 0.32 -1.27 118.95 129.87 2wkg s ARG 208 Ca -0.03 0.27 -0.20 0.00 -0.13 0.00 0.00 55.73 55.63 2wkg s ARG 208 Cb -0.14 -3.73 -0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2wkg s ARG 208 CO 0.03 -0.56 0.63 -0.51 -0.81 0.00 0.00 175.30 174.09 2wkg s LEU 209 N 2.56 4.24 -0.12 -0.88 1.43 0.30 0.73 118.68 126.93 2wkg s LEU 209 Ca 0.24 0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 53.31 2wkg s LEU 209 Cb -0.15 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2wkg s LEU 209 CO 0.12 -0.57 0.68 -0.62 0.23 0.00 0.00 176.35 176.19 2wkg s ASP 210 N 1.76 6.87 -1.68 2.29 -1.08 -0.84 -0.25 116.67 123.74 2wkg s ASP 210 Ca 0.24 1.05 -0.13 0.00 -0.52 0.00 0.00 52.55 53.19 2wkg s ASP 210 Cb -0.15 -2.39 0.12 0.00 -1.46 0.00 0.00 42.92 39.05 2wkg s ASP 210 CO 0.14 -0.19 0.46 0.52 0.52 0.00 0.00 175.17 176.62 2wkg n VAL 211 N 4.17 -0.99 0.20 1.11 0.31 -1.26 -4.67 118.33 117.20 2wkg n VAL 211 Ca -0.01 -0.21 0.09 0.00 -0.01 0.00 0.00 64.34 64.19 2wkg n VAL 211 Cb 0.50 -1.25 0.43 0.00 -0.91 0.00 0.00 33.84 32.61 2wkg n VAL 211 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wkg n PRO 212 N -4.34 0.11 0.00 5.55 -0.04 -1.26 -2.22 135.00 132.81 2wkg n PRO 212 Ca -0.08 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 2wkg n PRO 212 Cb 0.56 -1.82 0.72 0.00 -0.04 0.00 0.00 33.50 32.92 2wkg n PRO 212 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2wkg n PHE 213 N -2.05 0.00 0.06 0.54 1.16 -1.26 -3.01 117.46 112.90 2wkg n PHE 213 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 2wkg n PHE 213 Cb 0.07 -0.28 -0.13 0.00 -1.61 0.00 0.00 39.48 37.53 2wkg n PHE 213 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 2wkg h GLU 214 N 0.00 0.09 -6.24 3.97 4.39 -1.81 -3.41 114.58 111.56 2wkg h GLU 214 Ca 0.00 -0.16 -0.53 0.00 0.34 0.00 0.00 59.36 59.01 2wkg h GLU 214 Cb 0.26 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 2wkg h GLU 214 CO 0.00 1.02 1.17 0.42 -1.16 0.00 0.00 179.01 180.45 2wkg s ILE 215 N -2.68 3.61 -2.57 3.13 1.01 -1.16 -4.83 121.20 117.71 2wkg s ILE 215 Ca -0.02 0.39 0.22 0.00 0.00 0.00 0.00 60.65 61.25 2wkg s ILE 215 Cb 0.09 -4.50 0.29 0.00 0.01 0.00 0.00 42.46 38.35 2wkg s ILE 215 CO 0.84 -1.40 1.29 0.29 0.00 0.00 0.00 174.94 175.95 2wkg n LYS 216 N 9.17 2.27 -1.77 2.79 5.02 -1.26 -4.95 118.16 129.43 2wkg n LYS 216 Ca 0.11 -2.03 -0.42 0.00 -2.02 0.00 0.00 58.31 53.94 2wkg n LYS 216 Cb 0.50 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 2wkg n LYS 216 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wkg s THR 217 N -1.65 3.20 0.18 -0.18 2.01 -1.26 -4.90 115.64 113.04 2wkg s THR 217 Ca 0.31 0.23 -0.33 0.00 0.31 0.00 0.00 61.69 62.22 2wkg s THR 217 Cb 0.20 -3.18 -0.13 0.00 0.01 0.00 0.00 72.50 69.40 2wkg s THR 217 CO 0.29 -0.05 1.61 -0.81 -0.69 0.00 0.00 174.62 174.97 2wkg n PRO 218 N 7.71 2.32 0.00 4.92 -0.04 -1.26 -2.19 135.00 146.46 2wkg n PRO 218 Ca 0.21 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 2wkg n PRO 218 Cb 0.43 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2wkg n PRO 218 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wkg n GLY 219 N 3.48 1.30 0.00 0.55 0.00 -1.26 -4.98 105.19 104.27 2wkg n GLY 219 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wkg n GLY 219 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wkg n PHE 220 N -2.00 0.00 0.29 1.61 -0.00 -0.93 -2.31 117.46 114.12 2wkg n PHE 220 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.63 2wkg n PHE 220 Cb 0.00 -0.25 0.94 0.00 -0.00 0.00 0.00 39.48 40.17 2wkg n PHE 220 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 2wkg h TRP 221 N 0.00 0.00 -0.03 -5.13 4.06 -1.94 0.46 115.95 113.38 2wkg h TRP 221 Ca 0.00 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.76 2wkg h TRP 221 Cb 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.17 2wkg h TRP 221 CO -0.14 0.00 -0.72 -0.56 -3.56 0.00 0.00 178.44 173.46 2wkg h GLN 222 N 0.00 0.54 -0.39 0.49 -0.00 -1.67 -1.97 115.11 112.10 2wkg h GLN 222 Ca 0.00 -0.54 -0.02 0.00 -0.00 0.00 0.00 58.65 58.08 2wkg h GLN 222 Cb 0.18 0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 27.79 2wkg h GLN 222 CO 0.00 1.17 0.15 1.49 -0.00 0.00 0.00 178.83 181.64 2wkg h GLU 223 N 0.12 0.59 -0.91 0.06 4.81 -0.57 -1.26 114.58 117.41 2wkg h GLU 223 Ca -0.08 -0.11 0.14 0.00 -0.13 0.00 0.00 59.36 59.18 2wkg h GLU 223 Cb 1.40 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 2wkg h GLU 223 CO 0.14 0.57 0.59 0.35 -0.73 0.00 0.00 179.01 179.93 2wkg h PHE 224 N 0.48 0.88 -0.01 0.92 3.57 -1.06 0.13 116.94 121.84 2wkg h PHE 224 Ca 0.13 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 2wkg h PHE 224 Cb 0.20 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2wkg h PHE 224 CO 0.00 0.32 -0.78 -0.09 -2.23 0.00 0.00 178.31 175.54 2wkg h ARG 225 N 0.74 0.14 0.10 1.11 2.43 -0.59 -2.57 114.38 115.74 2wkg h ARG 225 Ca 0.46 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2wkg h ARG 225 Cb 0.69 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2wkg h ARG 225 CO -0.22 0.85 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.59 2wkg h ASP 226 N 0.08 -0.12 -0.24 -3.80 3.32 0.04 -0.60 116.42 115.11 2wkg h ASP 226 Ca -0.02 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 2wkg h ASP 226 Cb 1.36 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 2wkg h ASP 226 CO 0.11 0.50 0.15 0.03 -1.72 0.00 0.00 179.24 178.31 2wkg h ARG 227 N -0.84 0.33 0.22 3.56 3.08 -1.17 0.02 114.38 119.58 2wkg h ARG 227 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2wkg h ARG 227 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2wkg h ARG 227 CO 0.02 0.24 -0.10 1.15 -1.07 0.00 0.00 179.97 180.21 2wkg h THR 228 N 0.34 0.00 -0.30 2.04 2.02 -1.51 -3.22 112.91 112.29 2wkg h THR 228 Ca 0.09 -0.76 0.09 0.00 0.77 0.00 0.00 66.41 66.59 2wkg h THR 228 Cb -0.01 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2wkg h THR 228 CO -0.02 0.00 0.29 0.11 0.37 0.00 0.00 175.52 176.27 2wkg h LYS 229 N -1.06 0.00 -0.69 6.66 1.79 -1.04 -0.23 116.57 122.00 2wkg h LYS 229 Ca -0.03 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2wkg h LYS 229 Cb 0.22 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 2wkg h LYS 229 CO 0.05 0.00 0.16 0.00 -1.08 0.00 0.00 179.45 178.58 2wkg h ALA 230 N 1.71 0.98 0.04 3.86 0.00 -1.06 -0.48 119.26 124.32 2wkg h ALA 230 Ca 0.14 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 2wkg h ALA 230 Cb 0.71 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wkg h ALA 230 CO -0.00 0.66 -1.07 0.82 0.00 0.00 0.00 179.25 179.65 2wkg h ILE 231 N 1.05 1.64 -1.36 0.00 2.04 -1.07 -3.43 117.51 116.38 2wkg h ILE 231 Ca 0.22 -3.27 -0.07 0.00 1.00 0.00 0.00 64.86 62.74 2wkg h ILE 231 Cb 0.37 2.86 -0.25 0.00 -0.74 0.00 0.00 36.82 39.07 2wkg h ILE 231 CO 0.00 0.94 -0.44 0.21 0.00 0.00 0.00 178.15 178.86 2wkg s ASN 232 N -6.86 -0.64 0.17 1.72 2.47 -0.78 -4.96 114.94 106.06 2wkg s ASN 232 Ca -0.01 0.01 0.14 0.00 0.42 0.00 0.00 52.86 53.42 2wkg s ASN 232 Cb 0.09 1.59 0.69 0.00 -1.45 0.00 0.00 41.25 42.18 2wkg s ASN 232 CO 0.84 -0.32 1.42 -0.81 -3.72 0.00 0.00 177.10 174.51 2wkg n PRO 233 N 5.39 0.09 -0.58 0.43 -0.04 -0.20 -1.66 135.00 138.43 2wkg n PRO 233 Ca 0.02 0.52 0.08 0.00 -0.04 0.00 0.00 63.50 64.09 2wkg n PRO 233 Cb 0.51 -1.74 0.32 0.00 -0.04 0.00 0.00 33.50 32.55 2wkg n PRO 233 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wkg n GLU 234 N -1.92 3.68 -2.62 0.54 -0.58 -1.26 -4.78 120.64 113.70 2wkg n GLU 234 Ca 0.00 -2.83 -0.38 0.00 -0.42 0.00 0.00 57.16 53.53 2wkg n GLU 234 Cb 0.06 -1.88 -0.05 0.00 -0.57 0.00 0.00 31.44 29.00 2wkg n GLU 234 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wkg s ALA 235 N -2.17 3.21 -0.26 0.62 0.00 -0.66 -4.85 121.76 117.65 2wkg s ALA 235 Ca 0.46 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 2wkg s ALA 235 Cb 0.32 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 2wkg s ALA 235 CO 0.18 -0.05 0.18 -0.47 0.00 0.00 0.00 175.76 175.61 2wkg s TYR 236 N -1.50 3.26 -0.40 0.00 5.04 -0.33 -4.74 117.35 118.67 2wkg s TYR 236 Ca 0.51 0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.26 2wkg s TYR 236 Cb -0.23 -2.34 0.09 0.00 0.35 0.00 0.00 41.96 39.83 2wkg s TYR 236 CO 0.30 -0.07 0.21 0.42 -1.34 0.00 0.00 175.55 175.07 2wkg s ILE 237 N 1.47 3.68 -0.17 3.14 1.01 -1.26 0.21 121.20 129.28 2wkg s ILE 237 Ca 0.08 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.00 2wkg s ILE 237 Cb -0.15 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2wkg s ILE 237 CO 0.08 -0.56 -0.08 0.68 0.00 0.00 0.00 174.94 175.07 2wkg s VAL 238 N 1.28 3.36 -0.02 2.92 -7.23 -0.39 -0.69 120.40 119.63 2wkg s VAL 238 Ca 0.04 -0.53 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 2wkg s VAL 238 Cb -0.23 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 2wkg s VAL 238 CO -0.01 0.48 0.35 -0.83 -0.31 0.00 0.00 175.10 174.78 2wkg s GLY 239 N 0.77 2.41 -1.17 2.32 0.00 -1.04 0.11 107.32 110.71 2wkg s GLY 239 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.34 2wkg s GLY 239 CO 0.02 0.02 2.07 -2.21 0.00 0.00 0.00 173.10 172.99 2wkg n GLU 240 N 1.79 5.02 -3.13 2.90 2.13 0.66 -1.41 120.64 128.60 2wkg n GLU 240 Ca -0.15 -4.11 -0.39 0.00 0.66 0.00 0.00 57.16 53.17 2wkg n GLU 240 Cb 0.53 -2.55 -0.05 0.00 0.27 0.00 0.00 31.44 29.63 2wkg n GLU 240 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wkg s VAL 241 N -2.80 4.88 0.00 6.31 1.01 -1.26 -4.24 120.40 124.30 2wkg s VAL 241 Ca 0.45 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2wkg s VAL 241 Cb 0.18 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2wkg s VAL 241 CO -0.11 0.39 0.61 0.79 0.00 0.00 0.00 175.10 176.78 2wkg n TRP 242 N 2.86 0.00 -0.24 5.22 5.03 -1.26 -4.60 117.44 124.46 2wkg n TRP 242 Ca -0.05 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.48 2wkg n TRP 242 Cb 0.51 -0.39 0.00 0.00 -1.03 0.00 0.00 31.31 30.40 2wkg n TRP 242 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2wkg n GLY 243 N 0.04 1.73 3.36 6.99 0.00 -1.26 -4.14 105.19 111.91 2wkg n GLY 243 Ca 0.00 -1.72 -0.55 0.00 0.00 0.00 0.00 46.02 43.74 2wkg n GLY 243 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wkg n ASP 244 N 0.00 1.47 -1.41 1.61 4.64 -1.26 -4.85 116.55 116.76 2wkg n ASP 244 Ca 0.00 0.55 0.05 0.00 -1.38 0.00 0.00 54.79 54.02 2wkg n ASP 244 Cb 0.00 -1.09 0.31 0.00 -1.04 0.00 0.00 41.12 39.31 2wkg n ASP 244 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2wkg n SER 245 N 8.62 4.58 0.25 1.67 7.64 -1.26 -4.68 113.62 130.45 2wkg n SER 245 Ca 0.47 -3.07 0.17 0.00 1.01 0.00 0.00 58.87 57.46 2wkg n SER 245 Cb 0.10 -0.63 0.90 0.00 -1.01 0.00 0.00 64.21 63.57 2wkg n SER 245 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wkg h ARG 246 N 2.62 0.00 -0.96 1.43 3.08 -1.89 -1.29 114.38 117.36 2wkg h ARG 246 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wkg h ARG 246 Cb 1.78 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.78 2wkg h ARG 246 CO 0.40 0.00 0.60 0.37 -1.07 0.00 0.00 179.97 180.28 2wkg h GLN 247 N 0.00 1.29 0.00 0.04 4.15 -2.00 -2.99 115.11 115.60 2wkg h GLN 247 Ca 0.05 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2wkg h GLN 247 Cb 0.35 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2wkg h GLN 247 CO -0.00 0.89 -1.17 0.91 -1.93 0.00 0.00 178.83 177.52 2wkg n TRP 248 N -4.36 0.07 -2.67 3.99 8.01 -0.57 -4.54 117.44 117.36 2wkg n TRP 248 Ca 0.11 0.02 -0.37 0.00 -1.31 0.00 0.00 57.50 55.95 2wkg n TRP 248 Cb 0.04 -0.23 0.01 0.00 -2.01 0.00 0.00 31.31 29.12 2wkg n TRP 248 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2wkg n LEU 249 N -1.77 6.66 -0.34 -0.99 4.77 -0.71 -2.53 117.00 122.09 2wkg n LEU 249 Ca 0.02 -5.43 0.07 0.00 -0.03 0.00 0.00 56.01 50.64 2wkg n LEU 249 Cb 0.41 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2wkg n LEU 249 CO 0.42 2.11 0.26 -0.90 -1.33 0.00 0.00 177.39 177.96 2wkg n ASP 250 N -0.13 1.56 0.00 -1.43 3.85 -1.26 -4.61 116.55 114.53 2wkg n ASP 250 Ca 0.43 -1.28 0.00 0.00 -0.71 0.00 0.00 54.79 53.24 2wkg n ASP 250 Cb 0.30 0.44 0.00 0.00 -1.35 0.00 0.00 41.12 40.51 2wkg n ASP 250 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wkg n GLY 251 N 1.07 0.39 0.33 6.12 0.00 -1.26 -4.94 105.19 106.91 2wkg n GLY 251 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2wkg n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wkg n THR 252 N -1.70 1.59 0.00 2.61 -2.24 -1.26 -4.78 114.28 108.50 2wkg n THR 252 Ca 0.00 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 2wkg n THR 252 Cb 0.00 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2wkg n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wkg n GLN 253 N -0.65 0.00 -2.79 -0.78 6.02 -1.26 -4.02 117.38 113.90 2wkg n GLN 253 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.82 2wkg n GLN 253 Cb 0.56 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.80 2wkg n GLN 253 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2wkg s PHE 254 N 0.74 3.50 -0.90 1.08 0.08 -1.05 -4.67 117.98 116.77 2wkg s PHE 254 Ca 0.00 0.95 0.27 0.00 0.12 0.00 0.00 56.93 58.28 2wkg s PHE 254 Cb 0.00 -2.38 1.07 0.00 -0.57 0.00 0.00 43.02 41.14 2wkg s PHE 254 CO 0.00 -0.16 1.86 -0.25 -0.10 0.00 0.00 175.22 176.57 2wkg n ASP 255 N -1.61 0.28 0.00 1.36 10.43 0.14 -4.60 116.55 122.54 2wkg n ASP 255 Ca 0.02 0.53 0.00 0.00 2.57 0.00 0.00 54.79 57.90 2wkg n ASP 255 Cb 0.54 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 42.90 2wkg n ASP 255 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wkg n GLY 256 N 1.35 -0.93 3.25 0.44 0.00 -1.21 -4.55 105.19 103.54 2wkg n GLY 256 Ca 0.06 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2wkg n GLY 256 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wkg s VAL 257 N -2.00 0.53 -0.50 1.61 -7.23 -1.26 -2.51 120.40 109.04 2wkg s VAL 257 Ca 0.00 -1.98 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 2wkg s VAL 257 Cb 0.00 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2wkg s VAL 257 CO 0.00 -0.31 1.82 -0.04 -0.31 0.00 0.00 175.10 176.25 2wkg s MET 258 N -3.98 2.93 -1.40 4.82 -1.94 -0.50 -0.71 119.30 118.52 2wkg s MET 258 Ca 0.29 0.93 -0.15 0.00 -1.71 0.00 0.00 55.69 55.05 2wkg s MET 258 Cb 0.07 -4.30 0.06 0.00 2.01 0.00 0.00 34.83 32.67 2wkg s MET 258 CO 0.07 -2.36 2.06 -1.71 -0.01 0.00 0.00 175.02 173.07 2wkg n ASN 259 N 11.69 4.26 0.26 3.03 5.15 0.70 -4.68 115.26 135.67 2wkg n ASN 259 Ca 0.21 -2.88 0.11 0.00 -0.60 0.00 0.00 54.58 51.43 2wkg n ASN 259 Cb 0.50 -1.67 0.72 0.00 -0.53 0.00 0.00 39.78 38.80 2wkg n ASN 259 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2wkg h TYR 260 N 6.41 0.00 0.00 1.20 -1.99 -1.83 -0.01 116.97 120.75 2wkg h TYR 260 Ca 0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.25 2wkg h TYR 260 Cb 0.70 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.43 2wkg h TYR 260 CO 1.43 0.10 0.08 -0.07 -0.00 0.00 0.00 178.16 179.70 2wkg h LEU 261 N 0.00 0.00 0.00 3.88 3.38 -1.84 0.13 115.31 120.87 2wkg h LEU 261 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2wkg h LEU 261 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2wkg h LEU 261 CO 0.01 0.00 -2.17 0.33 0.09 0.00 0.00 178.44 176.70 2wkg n PHE 262 N -2.80 0.34 -0.09 1.13 -0.00 -0.04 -4.40 117.46 111.61 2wkg n PHE 262 Ca -0.02 0.12 -0.12 0.00 -0.00 0.00 0.00 57.45 57.43 2wkg n PHE 262 Cb 0.13 -1.06 -0.05 0.00 -0.00 0.00 0.00 39.48 38.51 2wkg n PHE 262 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wkg h ALA 263 N 0.91 0.36 -0.12 3.13 0.00 -0.81 -2.91 119.26 119.82 2wkg h ALA 263 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2wkg h ALA 263 Cb 2.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2wkg h ALA 263 CO 0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2wkg n GLY 264 N -0.06 -2.69 0.23 0.00 0.00 -0.37 -2.31 105.19 99.98 2wkg n GLY 264 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wkg n GLY 264 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wkg h PRO 265 N 0.00 0.31 -0.43 1.61 0.11 -1.73 -0.02 132.00 131.86 2wkg h PRO 265 Ca 0.00 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.17 2wkg h PRO 265 Cb 0.00 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 30.98 2wkg h PRO 265 CO 0.00 0.21 0.04 1.15 -0.21 0.00 0.00 178.00 179.19 2wkg h THR 266 N 0.32 0.72 -0.29 -1.15 2.02 -1.53 0.21 112.91 113.20 2wkg h THR 266 Ca 0.31 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 67.25 2wkg h THR 266 Cb 0.43 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2wkg h THR 266 CO -0.36 0.03 -0.54 0.40 0.37 0.00 0.00 175.52 175.42 2wkg h ILE 267 N 0.16 1.27 -0.42 3.11 2.04 -1.06 0.15 117.51 122.76 2wkg h ILE 267 Ca 0.21 -1.72 0.06 0.00 1.00 0.00 0.00 64.86 64.42 2wkg h ILE 267 Cb 0.29 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2wkg h ILE 267 CO -0.31 0.56 0.29 0.00 0.00 0.00 0.00 178.15 178.68 2wkg h ALA 268 N 0.68 2.00 0.00 1.87 0.00 -0.14 0.33 119.26 124.00 2wkg h ALA 268 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2wkg h ALA 268 Cb 1.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2wkg h ALA 268 CO 0.12 -0.08 -0.95 0.35 0.00 0.00 0.00 179.25 178.69 2wkg h PHE 269 N 0.31 0.00 0.00 0.00 3.57 -0.44 -0.18 116.94 120.20 2wkg h PHE 269 Ca 0.19 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2wkg h PHE 269 Cb 0.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2wkg h PHE 269 CO -0.00 1.28 -0.25 0.00 -2.23 0.00 0.00 178.31 177.10 2wkg h ALA 270 N -0.44 1.40 0.00 2.41 0.00 -0.61 -3.33 119.26 118.69 2wkg h ALA 270 Ca -0.25 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2wkg h ALA 270 Cb 1.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2wkg h ALA 270 CO -0.15 0.32 -1.67 0.00 0.00 0.00 0.00 179.25 177.74 2wkg n ALA 271 N -2.41 1.75 -0.91 0.00 0.00 0.10 -4.39 120.51 114.65 2wkg n ALA 271 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2wkg n ALA 271 Cb 0.33 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2wkg n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkg n GLY 272 N 2.70 3.28 0.41 0.00 0.00 -1.04 -1.72 105.19 108.82 2wkg n GLY 272 Ca -0.19 -0.19 0.22 0.00 0.00 0.00 0.00 46.02 45.87 2wkg n GLY 272 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wkg h ASP 273 N 3.34 0.13 0.00 1.61 3.04 -1.95 -2.10 116.42 120.49 2wkg h ASP 273 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2wkg h ASP 273 Cb 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 2wkg h ASP 273 CO 0.00 0.06 0.25 0.03 -2.04 0.00 0.00 179.24 177.54 2wkg h ARG 274 N 0.14 0.00 -6.33 4.15 3.08 -1.70 -3.42 114.38 110.29 2wkg h ARG 274 Ca 0.37 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.89 2wkg h ARG 274 Cb 1.26 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.33 2wkg h ARG 274 CO -0.05 0.00 1.25 0.28 -1.07 0.00 0.00 179.97 180.38 2wkg n VAL 275 N -2.87 0.75 -0.27 2.04 0.31 -0.79 -4.08 118.33 113.42 2wkg n VAL 275 Ca -0.02 -0.16 0.07 0.00 -0.01 0.00 0.00 64.34 64.22 2wkg n VAL 275 Cb 0.30 -2.33 0.19 0.00 -0.91 0.00 0.00 33.84 31.08 2wkg n VAL 275 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2wkg h VAL 276 N 5.73 0.33 0.00 2.52 2.07 -1.63 -3.45 116.25 121.83 2wkg h VAL 276 Ca -0.49 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2wkg h VAL 276 Cb 1.24 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2wkg h VAL 276 CO 0.94 0.02 0.00 -0.11 0.02 0.00 0.00 177.57 178.45 2wkg n LEU 277 N -5.32 0.00 -0.00 2.57 7.94 -1.26 -4.72 117.00 116.21 2wkg n LEU 277 Ca 0.15 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.99 2wkg n LEU 277 Cb 0.52 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.35 2wkg n LEU 277 CO 0.05 0.00 -0.39 -0.33 -1.11 0.00 0.00 177.39 175.61 2wkg h GLU 278 N 1.44 0.00 -0.01 1.96 5.08 -1.97 -3.32 114.58 117.77 2wkg h GLU 278 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wkg h GLU 278 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wkg h GLU 278 CO 0.00 0.52 -0.19 1.04 -1.00 0.00 0.00 179.01 179.38 2wkg n GLN 279 N -3.06 1.03 -1.59 2.33 1.13 -1.26 -4.86 117.38 111.10 2wkg n GLN 279 Ca -0.13 -0.60 -0.40 0.00 -1.94 0.00 0.00 57.00 53.93 2wkg n GLN 279 Cb 1.00 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.83 2wkg n GLN 279 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2wkg s VAL 280 N -2.38 3.02 -1.12 5.09 1.01 -1.25 -4.12 120.40 120.64 2wkg s VAL 280 Ca 0.28 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 2wkg s VAL 280 Cb 0.20 -3.03 -0.19 0.00 0.00 0.00 0.00 36.38 33.36 2wkg s VAL 280 CO 0.47 -0.02 2.06 1.67 0.00 0.00 0.00 175.10 179.28 2wkg n GLN 281 N 8.89 0.60 0.25 2.72 -0.06 -1.26 -4.76 117.38 123.76 2wkg n GLN 281 Ca 0.33 -1.97 0.17 0.00 -2.00 0.00 0.00 57.00 53.54 2wkg n GLN 281 Cb 0.50 -3.88 0.89 0.00 -4.06 0.00 0.00 30.24 23.69 2wkg n GLN 281 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2wkg h SER 282 N 11.02 0.00 -0.25 1.69 4.64 -1.90 -1.21 113.55 127.54 2wkg h SER 282 Ca 0.07 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2wkg h SER 282 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2wkg h SER 282 CO 1.08 0.00 -0.29 -0.09 -0.87 0.00 0.00 176.83 176.66 2wkg h ARG 283 N 0.00 0.64 0.00 4.77 1.12 -2.01 -3.38 114.38 115.53 2wkg h ARG 283 Ca 0.00 -0.35 -0.02 0.00 -1.11 0.00 0.00 59.98 58.49 2wkg h ARG 283 Cb 0.06 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2wkg h ARG 283 CO 0.00 0.96 -0.13 -0.44 -3.11 0.00 0.00 179.97 177.25 2wkg h ASP 284 N 0.36 0.00 -5.32 -3.80 3.45 -1.63 -3.48 116.42 106.00 2wkg h ASP 284 Ca 0.04 -0.78 -0.13 0.00 0.43 0.00 0.00 57.03 56.58 2wkg h ASP 284 Cb 0.86 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.49 2wkg h ASP 284 CO 0.07 0.97 -0.44 -0.72 -1.57 0.00 0.00 179.24 177.55 2wkg s TYR 285 N -2.13 0.56 -0.62 4.55 -0.00 -1.12 -4.65 117.35 113.93 2wkg s TYR 285 Ca -0.17 -0.93 0.02 0.00 -0.00 0.00 0.00 57.07 55.99 2wkg s TYR 285 Cb -0.02 -0.21 0.16 0.00 -0.00 0.00 0.00 41.96 41.89 2wkg s TYR 285 CO 0.57 -0.64 0.41 -0.65 -0.00 0.00 0.00 175.55 175.23 2wkg s GLN 286 N -3.99 2.37 -0.50 -3.49 1.11 -1.26 -4.31 119.66 109.59 2wkg s GLN 286 Ca 0.19 -2.80 -0.07 0.00 0.01 0.00 0.00 55.36 52.69 2wkg s GLN 286 Cb 0.05 -3.52 -0.16 0.00 -1.01 0.00 0.00 33.01 28.37 2wkg s GLN 286 CO 0.00 -1.18 3.30 -0.35 0.01 0.00 0.00 175.29 177.07 2wkg n PRO 287 N 2.92 2.58 0.00 2.91 -0.04 -1.26 -4.18 135.00 137.92 2wkg n PRO 287 Ca 0.10 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 2wkg n PRO 287 Cb 0.35 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2wkg n PRO 287 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wkg n TYR 288 N 2.46 0.00 -1.70 0.54 4.11 -1.26 -4.32 117.16 116.99 2wkg n TYR 288 Ca 0.53 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 58.23 2wkg n TYR 288 Cb 0.68 0.00 0.14 0.00 -0.00 0.00 0.00 39.34 40.16 2wkg n TYR 288 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2wkg n PRO 289 N -0.27 -0.82 -1.69 -3.48 -0.04 -1.26 -5.08 135.00 122.36 2wkg n PRO 289 Ca 0.00 -1.45 -0.37 0.00 -0.04 0.00 0.00 63.50 61.63 2wkg n PRO 289 Cb 0.00 -0.91 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 2wkg n PRO 289 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2wkg n PRO 290 N -2.89 1.10 -4.39 0.54 -0.02 -1.26 -4.82 135.00 123.25 2wkg n PRO 290 Ca 0.11 0.43 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 2wkg n PRO 290 Cb 0.40 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 2wkg n PRO 290 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wkg s LEU 291 N -3.41 2.43 0.26 2.45 1.43 -0.11 -4.95 118.68 116.79 2wkg s LEU 291 Ca 0.79 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2wkg s LEU 291 Cb -0.40 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2wkg s LEU 291 CO 0.44 0.15 0.31 -0.36 0.23 0.00 0.00 176.35 177.11 2wkg s PHE 292 N -1.36 3.27 0.23 0.29 0.40 -1.26 -4.54 117.98 115.00 2wkg s PHE 292 Ca 0.18 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.35 2wkg s PHE 292 Cb -0.09 -1.56 0.41 0.00 0.51 0.00 0.00 43.02 42.28 2wkg s PHE 292 CO 0.08 0.41 1.68 0.00 0.70 0.00 0.00 175.22 178.09 2wkg h ALA 293 N 1.26 0.83 -0.38 5.36 0.00 -1.63 0.13 119.26 124.83 2wkg h ALA 293 Ca -0.50 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2wkg h ALA 293 Cb 1.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2wkg h ALA 293 CO 0.60 -0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.70 2wkg h ALA 294 N 1.60 1.66 0.11 0.00 0.00 -1.75 -0.94 119.26 119.92 2wkg h ALA 294 Ca 0.38 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 2wkg h ALA 294 Cb 0.65 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.30 2wkg h ALA 294 CO -0.52 0.30 -0.87 0.93 0.00 0.00 0.00 179.25 179.09 2wkg h GLU 295 N 0.53 0.39 -0.40 0.00 5.08 -1.32 -2.88 114.58 115.99 2wkg h GLU 295 Ca 0.14 -0.57 0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2wkg h GLU 295 Cb 0.01 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2wkg h GLU 295 CO -0.02 1.24 0.12 -0.92 -1.00 0.00 0.00 179.01 178.42 2wkg h TYR 296 N -0.17 0.21 -0.19 4.33 3.20 -0.58 -1.01 116.97 122.75 2wkg h TYR 296 Ca -0.14 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.77 2wkg h TYR 296 Cb 1.63 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 2wkg h TYR 296 CO 0.17 0.06 0.06 0.00 -1.64 0.00 0.00 178.16 176.81 2wkg h ALA 297 N 1.28 0.21 -0.55 1.82 0.00 -1.25 0.18 119.26 120.95 2wkg h ALA 297 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2wkg h ALA 297 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2wkg h ALA 297 CO -0.22 -0.37 0.30 1.15 0.00 0.00 0.00 179.25 180.11 2wkg h THR 298 N 0.15 0.98 -0.44 0.00 2.02 -1.23 0.32 112.91 114.70 2wkg h THR 298 Ca 0.08 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2wkg h THR 298 Cb 0.06 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2wkg h THR 298 CO -0.09 0.10 -0.03 0.11 0.37 0.00 0.00 175.52 175.99 2wkg h LYS 299 N 0.57 0.80 -0.24 6.66 1.57 -0.81 -2.09 116.57 123.04 2wkg h LYS 299 Ca 0.24 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2wkg h LYS 299 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2wkg h LYS 299 CO -0.15 0.88 -0.11 0.82 -0.57 0.00 0.00 179.45 180.32 2wkg h ILE 300 N 0.64 1.30 -0.37 1.86 2.04 -0.21 -0.71 117.51 122.07 2wkg h ILE 300 Ca 0.12 -1.18 0.08 0.00 1.00 0.00 0.00 64.86 64.88 2wkg h ILE 300 Cb 0.53 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2wkg h ILE 300 CO 0.03 0.37 0.26 1.56 0.00 0.00 0.00 178.15 180.36 2wkg h GLN 301 N 0.21 0.14 0.26 2.37 4.20 -0.36 0.22 115.11 122.15 2wkg h GLN 301 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2wkg h GLN 301 Cb 0.61 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2wkg h GLN 301 CO 0.03 0.09 -0.13 1.49 -0.67 0.00 0.00 178.83 179.65 2wkg h GLU 302 N 0.14 -0.34 -1.01 1.46 4.81 -0.97 -2.04 114.58 116.63 2wkg h GLU 302 Ca 0.17 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.56 2wkg h GLU 302 Cb 0.50 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.86 2wkg h GLU 302 CO -0.02 0.02 0.63 0.28 -0.73 0.00 0.00 179.01 179.18 2wkg h VAL 303 N -0.82 0.86 -0.35 0.32 2.07 -0.20 -2.15 116.25 115.97 2wkg h VAL 303 Ca -0.04 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 2wkg h VAL 303 Cb 0.51 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2wkg h VAL 303 CO 0.06 0.17 -0.36 -0.07 0.02 0.00 0.00 177.57 177.39 2wkg h LEU 304 N 0.93 0.85 -3.15 2.57 3.38 -0.58 -2.99 115.31 116.32 2wkg h LEU 304 Ca 0.52 -0.37 -0.29 0.00 0.09 0.00 0.00 57.88 57.83 2wkg h LEU 304 Cb 0.61 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 40.96 2wkg h LEU 304 CO -0.30 1.12 0.38 0.00 0.09 0.00 0.00 178.44 179.72 2wkg n GLN 305 N -4.06 1.71 -0.09 1.13 6.02 -0.77 -4.11 117.38 117.21 2wkg n GLN 305 Ca -0.02 -1.67 -0.11 0.00 -0.01 0.00 0.00 57.00 55.20 2wkg n GLN 305 Cb 0.52 -1.66 -0.11 0.00 1.02 0.00 0.00 30.24 30.01 2wkg n GLN 305 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2wkg n LEU 306 N -0.35 1.23 -4.39 1.08 7.94 -1.12 -5.02 117.00 116.36 2wkg n LEU 306 Ca 0.33 -0.05 -0.25 0.00 -1.11 0.00 0.00 56.01 54.93 2wkg n LEU 306 Cb 1.10 -0.06 -0.12 0.00 0.53 0.00 0.00 43.42 44.87 2wkg n LEU 306 CO 0.35 0.58 -0.52 -0.31 -1.11 0.00 0.00 177.39 176.38 2wkg s TYR 307 N -2.40 2.14 0.20 1.96 4.12 -1.26 -4.91 117.35 117.20 2wkg s TYR 307 Ca -0.16 -0.39 -0.33 0.00 0.02 0.00 0.00 57.07 56.21 2wkg s TYR 307 Cb 0.06 -1.06 -0.14 0.00 -1.52 0.00 0.00 41.96 39.30 2wkg s TYR 307 CO 0.58 0.44 1.49 -2.30 0.02 0.00 0.00 175.55 175.79 2wkg n PRO 308 N 0.29 2.09 -0.25 -1.71 -0.02 -1.26 -4.68 135.00 129.45 2wkg n PRO 308 Ca -0.13 0.75 0.22 0.00 -2.02 0.00 0.00 63.50 62.32 2wkg n PRO 308 Cb 0.56 -2.46 0.56 0.00 -0.02 0.00 0.00 33.50 32.14 2wkg n PRO 308 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2wkg h TRP 309 N 5.04 0.44 -0.87 6.00 7.01 -1.99 0.75 115.95 132.33 2wkg h TRP 309 Ca -0.45 0.01 0.06 0.00 2.11 0.00 0.00 58.89 60.63 2wkg h TRP 309 Cb 1.27 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 28.13 2wkg h TRP 309 CO 0.59 0.09 0.54 0.93 -2.79 0.00 0.00 178.44 177.81 2wkg h GLU 310 N 0.31 0.96 -0.05 2.65 4.39 -1.92 -1.90 114.58 119.02 2wkg h GLU 310 Ca 0.49 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.92 2wkg h GLU 310 Cb 1.40 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2wkg h GLU 310 CO -0.16 0.64 -0.86 0.82 -1.16 0.00 0.00 179.01 178.29 2wkg h ILE 311 N 0.99 1.37 -0.36 3.13 2.04 -1.16 -3.04 117.51 120.47 2wkg h ILE 311 Ca 0.38 -2.26 0.04 0.00 1.00 0.00 0.00 64.86 64.02 2wkg h ILE 311 Cb 0.17 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2wkg h ILE 311 CO -0.17 0.68 0.25 -0.61 0.00 0.00 0.00 178.15 178.30 2wkg h GLN 312 N 0.30 0.30 0.00 2.37 5.75 -0.74 0.10 115.11 123.20 2wkg h GLN 312 Ca -0.06 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2wkg h GLN 312 Cb 1.47 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.95 2wkg h GLN 312 CO 0.15 0.20 0.00 1.28 -2.65 0.00 0.00 178.83 177.81 2wkg n LEU 313 N -4.48 0.41 -2.06 -2.39 4.77 -0.77 -2.71 117.00 109.76 2wkg n LEU 313 Ca 0.04 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2wkg n LEU 313 Cb 0.21 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 2wkg n LEU 313 CO 0.35 -0.34 0.14 0.35 -1.33 0.00 0.00 177.39 176.56 2wkg n THR 314 N -1.93 2.01 -3.62 -5.08 -2.24 0.32 -4.18 114.28 99.56 2wkg n THR 314 Ca 0.04 -3.58 -0.32 0.00 -2.27 0.00 0.00 64.05 57.91 2wkg n THR 314 Cb 0.26 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2wkg n THR 314 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wkg s GLN 315 N -3.43 3.66 -0.51 -0.78 -1.52 -0.95 -3.98 119.66 112.15 2wkg s GLN 315 Ca 0.42 -0.00 -0.14 0.00 -1.95 0.00 0.00 55.36 53.69 2wkg s GLN 315 Cb 0.38 -2.83 0.12 0.00 -0.22 0.00 0.00 33.01 30.46 2wkg s GLN 315 CO -0.01 0.46 0.44 -1.17 -0.25 0.00 0.00 175.29 174.76 2wkg s LEU 316 N -2.59 5.98 0.38 2.90 2.96 0.12 0.06 118.68 128.48 2wkg s LEU 316 Ca 0.41 -1.79 -0.24 0.00 -0.22 0.00 0.00 54.13 52.29 2wkg s LEU 316 Cb -0.12 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 44.33 2wkg s LEU 316 CO 0.23 -0.79 0.96 0.20 -1.32 0.00 0.00 176.35 175.64 2wkg s ASN 317 N 3.21 7.08 0.36 3.68 0.01 0.20 -0.22 114.94 129.27 2wkg s ASN 317 Ca 0.04 1.80 -0.17 0.00 -0.71 0.00 0.00 52.86 53.82 2wkg s ASN 317 Cb -0.28 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 38.86 2wkg s ASN 317 CO 0.02 -0.26 0.77 -1.48 -1.51 0.00 0.00 177.10 174.65 2wkg s LEU 318 N -2.63 -0.07 0.00 0.60 2.34 -1.26 0.12 118.68 117.78 2wkg s LEU 318 Ca 0.56 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.76 2wkg s LEU 318 Cb -0.15 2.82 0.00 0.00 -0.56 0.00 0.00 46.19 48.30 2wkg s LEU 318 CO 0.19 -1.60 0.00 0.18 -1.06 0.00 0.00 176.35 174.07 2wkg n LEU 319 N -0.51 0.00 -4.13 1.48 4.77 -1.26 -4.02 117.00 113.33 2wkg n LEU 319 Ca -0.07 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 2wkg n LEU 319 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2wkg n LEU 319 CO 0.23 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 176.00 2wkg s ALA 320 N -0.24 0.74 0.15 -1.18 0.00 -1.26 -4.80 121.76 115.17 2wkg s ALA 320 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 51.96 50.33 2wkg s ALA 320 Cb 0.00 0.77 0.07 0.00 0.00 0.00 0.00 23.12 23.95 2wkg s ALA 320 CO 0.00 -0.48 0.73 0.45 0.00 0.00 0.00 175.76 176.46 2wkg s SER 321 N -3.02 -0.41 0.53 0.00 0.15 -1.26 -4.72 113.70 104.96 2wkg s SER 321 Ca 0.21 -0.17 0.41 0.00 0.70 0.00 0.00 55.95 57.10 2wkg s SER 321 Cb 0.07 0.56 1.61 0.00 -1.71 0.00 0.00 66.02 66.55 2wkg s SER 321 CO -0.00 -0.96 1.67 1.12 1.20 0.00 0.00 173.24 176.26 2wkg h HIS 322 N 2.00 0.11 0.00 3.44 2.07 -1.97 1.10 115.15 121.90 2wkg h HIS 322 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 2wkg h HIS 322 Cb 1.27 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2wkg h HIS 322 CO 0.29 -0.03 -0.05 0.22 -3.07 0.00 0.00 177.93 175.30 2wkg h ASP 323 N 0.03 0.00 -1.30 3.10 1.82 -1.97 -3.46 116.42 114.64 2wkg h ASP 323 Ca 0.78 -0.01 -0.60 0.00 -0.39 0.00 0.00 57.03 56.81 2wkg h ASP 323 Cb 3.00 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 42.91 2wkg h ASP 323 CO -0.09 0.00 -0.51 0.42 -1.61 0.00 0.00 179.24 177.46 2wkg s THR 324 N -3.15 1.96 0.61 2.25 -4.23 0.38 -4.88 115.64 108.58 2wkg s THR 324 Ca 0.09 -1.81 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2wkg s THR 324 Cb 0.10 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 2wkg s THR 324 CO 0.63 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.79 2wkg s ALA 325 N -2.69 2.67 0.83 3.99 0.00 -1.26 -4.52 121.76 120.77 2wkg s ALA 325 Ca 0.33 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 2wkg s ALA 325 Cb 0.05 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.00 2wkg s ALA 325 CO 0.18 -0.93 1.11 1.03 0.00 0.00 0.00 175.76 177.15 2wkg s ARG 326 N -4.04 1.74 0.06 0.00 0.52 -0.76 -4.52 118.95 111.95 2wkg s ARG 326 Ca 0.65 1.27 -0.33 0.00 -0.52 0.00 0.00 55.73 56.80 2wkg s ARG 326 Cb -0.17 -1.83 -0.19 0.00 0.52 0.00 0.00 34.95 33.27 2wkg s ARG 326 CO 0.38 -2.04 1.57 1.25 0.02 0.00 0.00 175.30 176.48 2wkg h LEU 327 N -1.42 -0.83 -1.38 2.53 5.85 -1.87 -0.95 115.31 117.23 2wkg h LEU 327 Ca -0.44 0.02 0.24 0.00 0.84 0.00 0.00 57.88 58.55 2wkg h LEU 327 Cb 1.25 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.41 2wkg h LEU 327 CO 0.48 -0.58 0.65 -0.03 -0.34 0.00 0.00 178.44 178.63 2wkg h MET 328 N -1.01 0.41 0.03 1.25 4.05 -1.91 -1.98 114.93 115.77 2wkg h MET 328 Ca -0.10 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.21 2wkg h MET 328 Cb 0.76 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.47 2wkg h MET 328 CO 0.16 0.27 -0.35 1.15 0.23 0.00 0.00 176.91 178.38 2wkg h THR 329 N 0.42 1.57 -0.01 -0.77 2.02 -1.80 -1.24 112.91 113.10 2wkg h THR 329 Ca 0.56 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2wkg h THR 329 Cb 1.38 2.95 -0.00 0.00 -1.74 0.00 0.00 68.15 70.74 2wkg h THR 329 CO -0.27 0.59 0.02 -0.29 0.37 0.00 0.00 175.52 175.94 2wkg h ILE 330 N -0.53 0.31 -0.42 3.11 2.10 -0.45 0.16 117.51 121.79 2wkg h ILE 330 Ca -0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2wkg h ILE 330 Cb 1.16 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 2wkg h ILE 330 CO 0.07 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.14 2wkg n ALA 331 N -2.22 2.44 -2.28 0.18 0.00 -0.91 -1.83 120.51 115.89 2wkg n ALA 331 Ca -0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 53.44 52.42 2wkg n ALA 331 Cb 0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2wkg n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkg n GLY 332 N 1.24 -0.16 1.69 0.00 0.00 0.56 -1.75 105.19 106.78 2wkg n GLY 332 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wkg n GLY 332 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkg n GLY 333 N -0.95 1.50 3.55 -0.02 0.00 -0.47 -4.99 105.19 103.81 2wkg n GLY 333 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2wkg n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wkg s ASP 334 N -3.10 4.88 0.46 1.61 2.15 -0.72 -4.83 116.67 117.12 2wkg s ASP 334 Ca 0.00 0.77 0.12 0.00 0.43 0.00 0.00 52.55 53.87 2wkg s ASP 334 Cb 0.00 -2.51 1.06 0.00 -0.30 0.00 0.00 42.92 41.16 2wkg s ASP 334 CO 0.00 -2.60 2.09 0.40 -0.17 0.00 0.00 175.17 174.89 2wkg h ILE 335 N 7.29 1.03 0.34 4.11 2.04 -1.94 -2.36 117.51 128.02 2wkg h ILE 335 Ca -0.26 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2wkg h ILE 335 Cb 1.22 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2wkg h ILE 335 CO 1.18 0.06 -0.20 0.00 0.00 0.00 0.00 178.15 179.19 2wkg h ALA 336 N 1.84 -0.50 -0.96 1.87 0.00 -1.93 -1.10 119.26 118.49 2wkg h ALA 336 Ca 0.11 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.09 2wkg h ALA 336 Cb 0.06 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2wkg h ALA 336 CO -0.02 -0.79 0.61 0.77 0.00 0.00 0.00 179.25 179.81 2wkg h SER 337 N -0.51 0.68 0.07 0.00 0.02 -1.64 0.67 113.55 112.84 2wkg h SER 337 Ca -0.04 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2wkg h SER 337 Cb 0.41 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2wkg h SER 337 CO 0.05 0.29 -0.34 0.58 -1.14 0.00 0.00 176.83 176.26 2wkg h VAL 338 N 0.68 1.29 0.04 2.27 2.07 -1.06 -1.87 116.25 119.66 2wkg h VAL 338 Ca 0.51 -1.41 -0.25 0.00 0.82 0.00 0.00 66.70 66.37 2wkg h VAL 338 Cb 0.88 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2wkg h VAL 338 CO -0.27 0.44 -1.27 -0.33 0.02 0.00 0.00 177.57 176.15 2wkg h GLU 339 N 0.33 0.09 -0.19 1.57 5.08 0.17 -3.17 114.58 118.45 2wkg h GLU 339 Ca 0.04 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 2wkg h GLU 339 Cb 0.77 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2wkg h GLU 339 CO 0.06 0.96 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.44 2wkg h LEU 340 N 0.02 0.78 0.49 1.33 4.07 -0.91 -2.67 115.31 118.43 2wkg h LEU 340 Ca -0.12 -0.58 -0.02 0.00 0.08 0.00 0.00 57.88 57.23 2wkg h LEU 340 Cb 1.89 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 43.40 2wkg h LEU 340 CO 0.14 1.22 -0.32 0.28 -1.08 0.00 0.00 178.44 178.68 2wkg h SER 341 N 0.37 -0.82 -0.86 -0.43 0.02 -1.46 -2.50 113.55 107.88 2wkg h SER 341 Ca -0.01 0.05 0.21 0.00 -0.84 0.00 0.00 61.79 61.20 2wkg h SER 341 Cb 1.14 0.24 -0.16 0.00 0.14 0.00 0.00 62.40 63.77 2wkg h SER 341 CO 0.11 -0.48 -0.01 0.74 -1.14 0.00 0.00 176.83 176.05 2wkg h THR 342 N -0.77 0.20 -0.78 -2.27 2.02 -1.65 0.30 112.91 109.97 2wkg h THR 342 Ca -0.07 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.23 2wkg h THR 342 Cb 0.62 0.13 -0.09 0.00 -1.74 0.00 0.00 68.15 67.07 2wkg h THR 342 CO 0.06 0.01 0.35 0.25 0.37 0.00 0.00 175.52 176.56 2wkg h LEU 343 N 0.07 0.38 -0.34 2.58 5.85 -1.20 0.71 115.31 123.36 2wkg h LEU 343 Ca 0.49 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 59.12 2wkg h LEU 343 Cb 0.91 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 2wkg h LEU 343 CO -0.79 0.16 -0.54 -0.07 -0.34 0.00 0.00 178.44 176.87 2wkg h LEU 344 N 0.52 0.93 -0.66 2.25 3.38 -0.07 -2.82 115.31 118.83 2wkg h LEU 344 Ca 0.42 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2wkg h LEU 344 Cb 0.60 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2wkg h LEU 344 CO -0.37 1.28 0.23 0.25 0.09 0.00 0.00 178.44 179.92 2wkg h LEU 345 N 0.64 0.95 -0.77 1.67 7.12 0.12 -2.44 115.31 122.59 2wkg h LEU 345 Ca 0.02 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.83 2wkg h LEU 345 Cb 1.14 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.02 2wkg h LEU 345 CO 0.12 0.89 0.00 0.18 -0.13 0.00 0.00 178.44 179.50 2wkg n LEU 346 N -4.36 1.17 -0.19 2.25 4.77 0.23 -3.59 117.00 117.28 2wkg n LEU 346 Ca 0.05 -0.47 0.06 0.00 -0.03 0.00 0.00 56.01 55.62 2wkg n LEU 346 Cb 0.20 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2wkg n LEU 346 CO 0.40 0.23 0.47 0.35 -1.33 0.00 0.00 177.39 177.51 2wkg n THR 347 N -0.03 1.26 -4.22 -5.08 -2.24 -1.03 -4.78 114.28 98.16 2wkg n THR 347 Ca 0.17 -1.51 -0.34 0.00 -2.27 0.00 0.00 64.05 60.11 2wkg n THR 347 Cb 0.26 0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 2wkg n THR 347 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2wkg s PHE 348 N -1.90 3.20 -0.05 4.78 5.36 -0.95 -4.97 117.98 123.46 2wkg s PHE 348 Ca 0.20 0.18 -0.30 0.00 -0.96 0.00 0.00 56.93 56.06 2wkg s PHE 348 Cb 0.18 -1.74 -0.06 0.00 -0.34 0.00 0.00 43.02 41.06 2wkg s PHE 348 CO 0.02 0.51 1.76 -1.25 -1.46 0.00 0.00 175.22 174.80 2wkg s PRO 349 N -1.42 4.11 0.00 10.12 0.04 -1.26 -4.77 135.00 141.82 2wkg s PRO 349 Ca 0.19 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2wkg s PRO 349 Cb -0.12 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2wkg s PRO 349 CO 0.09 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2wkg n GLY 350 N 4.33 1.31 3.61 0.56 0.00 -1.25 -4.68 105.19 109.06 2wkg n GLY 350 Ca 0.18 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2wkg n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkg s ALA 351 N -1.15 3.47 0.30 4.61 0.00 0.11 -4.88 121.76 124.22 2wkg s ALA 351 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2wkg s ALA 351 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2wkg s ALA 351 CO 0.00 -1.41 1.14 -1.25 0.00 0.00 0.00 175.76 174.23 2wkg s PRO 352 N 3.20 4.54 -0.10 0.00 0.04 -1.26 0.62 135.00 142.03 2wkg s PRO 352 Ca 0.35 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.29 2wkg s PRO 352 Cb -0.13 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2wkg s PRO 352 CO 0.16 0.10 -0.23 0.45 0.04 0.00 0.00 177.00 177.52 2wkg s SER 353 N -0.85 2.97 -0.21 6.66 0.15 0.32 -0.34 113.70 122.40 2wkg s SER 353 Ca 0.46 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 2wkg s SER 353 Cb -0.33 -1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2wkg s SER 353 CO 0.43 0.13 -0.07 -0.63 1.20 0.00 0.00 173.24 174.30 2wkg s ILE 354 N 0.45 3.16 -0.04 6.45 1.01 0.50 -4.43 121.20 128.30 2wkg s ILE 354 Ca -0.17 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 2wkg s ILE 354 Cb -0.17 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2wkg s ILE 354 CO 0.07 0.45 1.23 -0.47 0.00 0.00 0.00 174.94 176.22 2wkg s TYR 355 N 1.36 3.16 0.23 3.97 5.04 -1.26 -1.32 117.35 128.53 2wkg s TYR 355 Ca 0.04 1.16 -0.30 0.00 -2.44 0.00 0.00 57.07 55.54 2wkg s TYR 355 Cb -0.14 -3.46 -0.15 0.00 0.35 0.00 0.00 41.96 38.56 2wkg s TYR 355 CO -0.04 -1.49 1.00 2.48 -1.34 0.00 0.00 175.55 176.15 2wkg n TYR 356 N 5.12 1.03 0.00 4.97 -0.00 -0.42 -1.76 117.16 126.10 2wkg n TYR 356 Ca 0.11 0.74 0.00 0.00 -0.00 0.00 0.00 57.90 58.75 2wkg n TYR 356 Cb 0.46 -2.22 0.00 0.00 -0.00 0.00 0.00 39.34 37.58 2wkg n TYR 356 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2wkg n GLY 357 N 1.60 3.10 0.24 -7.48 0.00 -1.26 -4.88 105.19 96.50 2wkg n GLY 357 Ca 0.13 -0.93 0.09 0.00 0.00 0.00 0.00 46.02 45.30 2wkg n GLY 357 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wkg h ASP 358 N 0.47 0.00 0.16 1.61 3.32 -1.59 -1.64 116.42 118.75 2wkg h ASP 358 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wkg h ASP 358 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wkg h ASP 358 CO 0.00 0.17 0.00 -1.84 -1.72 0.00 0.00 179.24 175.85 2wkg n GLU 359 N -3.95 0.24 -3.36 3.56 0.00 -1.26 -4.66 120.64 111.21 2wkg n GLU 359 Ca -0.02 0.12 -0.12 0.00 0.00 0.00 0.00 57.16 57.14 2wkg n GLU 359 Cb 0.26 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.15 2wkg n GLU 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2wkg n VAL 360 N -1.20 0.00 0.07 3.84 0.31 -0.62 -2.91 118.33 117.82 2wkg n VAL 360 Ca 0.07 -1.46 0.01 0.00 -0.01 0.00 0.00 64.34 62.95 2wkg n VAL 360 Cb 0.08 0.68 0.04 0.00 -0.91 0.00 0.00 33.84 33.74 2wkg n VAL 360 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wkg n GLY 361 N -0.21 -0.51 3.70 2.92 0.00 -1.26 -4.81 105.19 105.02 2wkg n GLY 361 Ca 0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2wkg n GLY 361 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wkg s LEU 362 N -2.89 4.40 0.00 0.99 2.96 -1.21 -4.90 118.68 118.03 2wkg s LEU 362 Ca 0.01 2.80 -0.06 0.00 -0.22 0.00 0.00 54.13 56.65 2wkg s LEU 362 Cb 0.01 -3.57 0.10 0.00 0.50 0.00 0.00 46.19 43.23 2wkg s LEU 362 CO 0.03 -1.01 0.62 -0.81 -1.32 0.00 0.00 176.35 173.86 2wkg n PRO 363 N 5.47 -0.44 -3.15 0.98 -0.04 -1.26 -4.53 135.00 132.03 2wkg n PRO 363 Ca 0.18 -1.10 0.06 0.00 -0.04 0.00 0.00 63.50 62.60 2wkg n PRO 363 Cb 0.38 -0.60 -0.02 0.00 -0.04 0.00 0.00 33.50 33.21 2wkg n PRO 363 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wkg s GLY 364 N -4.29 -0.01 0.85 0.55 0.00 -1.26 -4.70 107.32 98.46 2wkg s GLY 364 Ca 0.36 3.24 -0.11 0.00 0.00 0.00 0.00 44.72 48.22 2wkg s GLY 364 CO 0.25 3.94 1.13 -0.32 0.00 0.00 0.00 173.10 178.11 2wkg s GLY 365 N 2.90 1.74 0.02 0.20 0.00 -1.15 -1.84 107.32 109.18 2wkg s GLY 365 Ca -0.10 0.51 -0.17 0.00 0.00 0.00 0.00 44.72 44.95 2wkg s GLY 365 CO -0.07 0.90 1.00 1.19 0.00 0.00 0.00 173.10 176.11 2wkg h ILE 366 N -1.49 1.33 -3.46 0.90 2.10 -1.85 -3.40 117.51 111.64 2wkg h ILE 366 Ca -0.44 -2.60 -0.44 0.00 1.08 0.00 0.00 64.86 62.46 2wkg h ILE 366 Cb 1.26 3.00 0.19 0.00 -1.09 0.00 0.00 36.82 40.18 2wkg h ILE 366 CO 0.45 0.77 0.07 -1.81 -1.08 0.00 0.00 178.15 176.56 2wkg s ASP 367 N -7.41 1.47 -0.18 2.19 -0.00 -1.26 -4.73 116.67 106.75 2wkg s ASP 367 Ca -0.10 1.35 -0.26 0.00 -0.00 0.00 0.00 52.55 53.54 2wkg s ASP 367 Cb 0.04 -2.10 -0.01 0.00 -0.00 0.00 0.00 42.92 40.84 2wkg s ASP 367 CO 0.92 -3.87 0.88 -2.16 -0.00 0.00 0.00 175.17 170.94 2wkg s PRO 368 N -4.65 4.30 -0.59 8.23 0.04 -1.26 -0.18 135.00 140.89 2wkg s PRO 368 Ca 0.67 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2wkg s PRO 368 Cb -0.23 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.75 2wkg s PRO 368 CO 0.62 -0.38 0.64 -0.25 0.04 0.00 0.00 177.00 177.67 2wkg n ASP 369 N 5.42 -7.16 0.00 6.66 8.00 -1.26 -5.10 116.55 123.10 2wkg n ASP 369 Ca 0.06 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2wkg n ASP 369 Cb 0.48 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 2wkg n ASP 369 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wkg n SER 370 N -1.07 0.00 0.00 -2.24 3.41 0.75 -4.98 113.62 109.49 2wkg n SER 370 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2wkg n SER 370 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2wkg n SER 370 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wkg n ARG 371 N 0.00 0.00 -0.01 4.33 1.74 -1.26 -2.95 116.66 118.50 2wkg n ARG 371 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2wkg n ARG 371 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 2wkg n ARG 371 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wkg n ARG 372 N -1.41 0.62 -0.53 5.56 1.74 -1.26 -4.88 116.66 116.50 2wkg n ARG 372 Ca 0.00 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2wkg n ARG 372 Cb 0.00 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2wkg n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wkg n GLY 373 N 1.89 0.15 3.33 -0.13 0.00 -1.26 -4.63 105.19 104.54 2wkg n GLY 373 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 2wkg n GLY 373 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wkg s PHE 374 N -1.39 4.00 0.06 1.61 0.40 -0.67 -2.61 117.98 119.37 2wkg s PHE 374 Ca 0.00 -2.35 -0.29 0.00 -0.60 0.00 0.00 56.93 53.69 2wkg s PHE 374 Cb 0.00 -3.81 -0.15 0.00 0.51 0.00 0.00 43.02 39.57 2wkg s PHE 374 CO 0.00 -0.96 0.70 -0.35 0.70 0.00 0.00 175.22 175.31 2wkg n PRO 375 N 3.35 0.00 -3.06 0.24 -0.04 -1.26 -2.88 135.00 131.34 2wkg n PRO 375 Ca 0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2wkg n PRO 375 Cb 0.43 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 2wkg n PRO 375 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2wkg n LEU 376 N 1.35 -6.49 -4.67 1.53 -0.00 -1.26 -4.93 117.00 102.53 2wkg n LEU 376 Ca 0.16 0.17 -0.43 0.00 -0.00 0.00 0.00 56.01 55.91 2wkg n LEU 376 Cb 0.11 -3.01 -0.02 0.00 -0.00 0.00 0.00 43.42 40.50 2wkg n LEU 376 CO 0.48 -1.52 1.02 -1.83 -0.00 0.00 0.00 177.39 175.53 2wkg s GLU 377 N -2.86 4.29 0.04 1.47 -1.05 -1.14 -5.13 118.70 114.33 2wkg s GLU 377 Ca 0.18 1.65 -0.01 0.00 -0.15 0.00 0.00 54.97 56.65 2wkg s GLU 377 Cb -0.04 -3.67 0.01 0.00 -0.44 0.00 0.00 34.13 29.99 2wkg s GLU 377 CO 0.79 -0.58 0.04 0.00 0.95 0.00 0.00 175.26 176.45 2wkg n ALA 378 N 5.95 -0.10 -2.84 -0.84 0.00 -1.26 -4.56 120.51 116.85 2wkg n ALA 378 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 2wkg n ALA 378 Cb 0.45 -0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.93 2wkg n ALA 378 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wkg n ASN 379 N -3.06 -3.38 -4.00 0.00 2.04 -1.26 -5.12 115.26 100.49 2wkg n ASN 379 Ca 0.01 -0.19 -0.29 0.00 -0.44 0.00 0.00 54.58 53.66 2wkg n ASN 379 Cb 0.02 -2.09 0.27 0.00 -2.53 0.00 0.00 39.78 35.45 2wkg n ASN 379 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 2wkg s TRP 380 N -3.11 0.45 -0.98 -2.53 0.51 -1.26 -4.87 118.94 107.14 2wkg s TRP 380 Ca 0.18 0.86 -0.13 0.00 -2.12 0.00 0.00 56.10 54.89 2wkg s TRP 380 Cb -0.08 -3.02 0.22 0.00 -0.81 0.00 0.00 33.47 29.78 2wkg s TRP 380 CO 0.25 -4.39 1.01 1.21 -0.51 0.00 0.00 176.95 174.53 2wkg s ASN 381 N -2.88 6.96 0.30 2.95 3.84 -1.26 -4.79 114.94 120.07 2wkg s ASN 381 Ca 0.69 -2.92 0.03 0.00 0.21 0.00 0.00 52.86 50.86 2wkg s ASN 381 Cb -0.19 -2.26 0.63 0.00 -0.55 0.00 0.00 41.25 38.88 2wkg s ASN 381 CO 0.61 -0.57 1.83 1.56 -2.79 0.00 0.00 177.10 177.74 2wkg h GLN 382 N 7.50 0.89 0.46 0.43 1.08 -1.94 -1.00 115.11 122.53 2wkg h GLN 382 Ca 0.16 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2wkg h GLN 382 Cb 0.96 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2wkg h GLN 382 CO 0.95 0.59 -0.22 1.05 -0.95 0.00 0.00 178.83 180.24 2wkg h GLU 383 N 0.91 -0.60 -0.56 1.46 4.11 -1.96 0.41 114.58 118.35 2wkg h GLU 383 Ca 0.51 0.04 0.08 0.00 0.07 0.00 0.00 59.36 60.06 2wkg h GLU 383 Cb 0.60 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2wkg h GLU 383 CO -0.28 -0.29 0.38 -0.84 0.07 0.00 0.00 179.01 178.05 2wkg h ILE 384 N -0.90 0.94 0.06 -1.06 3.07 -1.81 0.33 117.51 118.14 2wkg h ILE 384 Ca -0.06 -0.15 -0.00 0.00 1.55 0.00 0.00 64.86 66.19 2wkg h ILE 384 Cb 0.58 0.46 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2wkg h ILE 384 CO 0.10 0.08 -0.03 0.15 -1.05 0.00 0.00 178.15 177.40 2wkg h PHE 385 N 0.44 -0.08 0.00 0.16 3.04 -0.81 -1.38 116.94 118.31 2wkg h PHE 385 Ca 0.25 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 2wkg h PHE 385 Cb 0.43 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2wkg h PHE 385 CO -0.00 0.07 -0.16 -0.91 -2.02 0.00 0.00 178.31 175.29 2wkg h ASN 386 N -0.21 0.00 0.01 0.41 2.35 0.12 0.19 115.58 118.45 2wkg h ASN 386 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2wkg h ASN 386 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2wkg h ASN 386 CO 0.01 0.16 -0.01 0.74 -1.65 0.00 0.00 177.43 176.68 2wkg h THR 387 N 0.00 1.24 0.31 2.81 2.02 -0.22 -0.47 112.91 118.59 2wkg h THR 387 Ca -0.00 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 2wkg h THR 387 Cb 0.30 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2wkg h THR 387 CO 0.02 0.20 -0.26 0.45 0.37 0.00 0.00 175.52 176.30 2wkg h HIS 388 N -0.35 -0.69 -0.22 3.16 3.86 -0.43 0.16 115.15 120.64 2wkg h HIS 388 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2wkg h HIS 388 Cb 0.34 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 2wkg h HIS 388 CO 0.04 -0.39 -0.01 -0.09 0.86 0.00 0.00 177.93 178.34 2wkg h ARG 389 N -0.58 0.32 0.06 2.45 2.43 -0.68 -1.87 114.38 116.49 2wkg h ARG 389 Ca -0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wkg h ARG 389 Cb 0.52 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wkg h ARG 389 CO -0.02 0.35 -0.03 0.37 -1.51 0.00 0.00 179.97 179.13 2wkg h GLN 390 N 0.31 -0.07 -0.31 0.20 4.15 -0.86 -2.82 115.11 115.71 2wkg h GLN 390 Ca 0.07 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.54 2wkg h GLN 390 Cb 0.23 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2wkg h GLN 390 CO 0.01 0.52 0.21 -0.07 -1.93 0.00 0.00 178.83 177.56 2wkg h LEU 391 N -0.76 0.22 -0.22 -2.39 3.38 -0.88 -1.55 115.31 113.11 2wkg h LEU 391 Ca -0.01 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2wkg h LEU 391 Cb 0.62 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2wkg h LEU 391 CO 0.01 0.15 -0.75 0.40 0.09 0.00 0.00 178.44 178.35 2wkg h ILE 392 N 0.26 1.29 -0.27 1.22 2.04 -1.37 -0.96 117.51 119.72 2wkg h ILE 392 Ca 0.13 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 2wkg h ILE 392 Cb 0.20 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2wkg h ILE 392 CO -0.03 0.62 0.11 0.74 0.00 0.00 0.00 178.15 179.60 2wkg h THR 393 N 0.51 1.17 -0.13 -0.27 2.02 -1.14 -1.91 112.91 113.16 2wkg h THR 393 Ca -0.04 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.65 2wkg h THR 393 Cb 1.37 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2wkg h THR 393 CO 0.15 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 176.60 2wkg h ILE 394 N 0.29 0.90 -0.62 3.11 2.04 -1.25 0.04 117.51 122.01 2wkg h ILE 394 Ca 0.09 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2wkg h ILE 394 Cb 0.17 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2wkg h ILE 394 CO -0.01 0.01 0.41 -0.09 0.00 0.00 0.00 178.15 178.47 2wkg h ARG 395 N 0.03 0.62 0.00 2.37 2.43 -1.02 0.13 114.38 118.94 2wkg h ARG 395 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2wkg h ARG 395 Cb 0.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2wkg h ARG 395 CO -0.11 0.41 -0.04 1.04 -1.51 0.00 0.00 179.97 179.76 2wkg n GLN 396 N -4.47 0.24 0.03 0.20 1.13 -0.73 -3.71 117.38 110.07 2wkg n GLN 396 Ca 0.08 0.19 -0.22 0.00 -1.94 0.00 0.00 57.00 55.11 2wkg n GLN 396 Cb 0.21 -1.77 -0.14 0.00 0.11 0.00 0.00 30.24 28.65 2wkg n GLN 396 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2wkg h THR 397 N 0.00 0.91 -3.49 5.09 2.02 0.11 -3.44 112.91 114.11 2wkg h THR 397 Ca 0.00 -2.42 -0.71 0.00 0.77 0.00 0.00 66.41 64.05 2wkg h THR 397 Cb 0.72 2.68 -0.29 0.00 -1.74 0.00 0.00 68.15 69.51 2wkg h THR 397 CO 0.00 0.79 -0.50 -0.31 0.37 0.00 0.00 175.52 175.87 2wkg s TYR 398 N -2.53 3.37 0.50 3.16 1.51 -0.25 -4.97 117.35 118.14 2wkg s TYR 398 Ca -0.19 -1.69 0.30 0.00 -1.01 0.00 0.00 57.07 54.48 2wkg s TYR 398 Cb 0.05 -2.91 1.41 0.00 -0.11 0.00 0.00 41.96 40.41 2wkg s TYR 398 CO 0.80 -0.86 1.82 -1.35 -1.11 0.00 0.00 175.55 174.85 2wkg h PRO 399 N 8.31 0.10 -0.86 -1.71 0.11 -1.85 -1.94 132.00 134.16 2wkg h PRO 399 Ca -0.21 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.98 2wkg h PRO 399 Cb 1.08 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 2wkg h PRO 399 CO 0.73 0.07 0.56 0.00 -0.21 0.00 0.00 178.00 179.14 2wkg h ALA 400 N 1.51 1.63 0.00 -0.75 0.00 -1.90 -0.21 119.26 119.54 2wkg h ALA 400 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2wkg h ALA 400 Cb 1.89 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2wkg h ALA 400 CO -0.08 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2wkg n LEU 401 N -4.51 0.00 -0.07 0.00 4.77 -0.73 0.26 117.00 116.72 2wkg n LEU 401 Ca 0.14 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.26 2wkg n LEU 401 Cb 0.27 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2wkg n LEU 401 CO 0.32 -0.14 -0.92 0.54 -1.33 0.00 0.00 177.39 175.86 2wkg n ARG 402 N -1.29 0.34 -0.06 3.23 1.74 -0.18 -4.42 116.66 116.02 2wkg n ARG 402 Ca 0.07 0.15 0.03 0.00 -0.77 0.00 0.00 57.85 57.33 2wkg n ARG 402 Cb 0.13 -1.08 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 2wkg n ARG 402 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wkg n THR 403 N -3.80 1.12 -1.78 0.55 -2.24 -0.67 -3.91 114.28 103.55 2wkg n THR 403 Ca -0.27 -1.25 -0.29 0.00 -2.27 0.00 0.00 64.05 59.97 2wkg n THR 403 Cb 0.64 0.31 0.11 0.00 -2.10 0.00 0.00 70.33 69.29 2wkg n THR 403 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wkg s GLY 404 N -1.52 1.59 0.75 3.38 0.00 0.14 -4.91 107.32 106.76 2wkg s GLY 404 Ca 0.11 -0.64 -0.10 0.00 0.00 0.00 0.00 44.72 44.09 2wkg s GLY 404 CO 0.01 -0.11 1.11 -0.35 0.00 0.00 0.00 173.10 173.76 2wkg s ASP 405 N -4.42 4.81 -0.21 1.64 3.68 0.37 -4.68 116.67 117.86 2wkg s ASP 405 Ca 0.63 0.77 0.00 0.00 2.13 0.00 0.00 52.55 56.08 2wkg s ASP 405 Cb -0.12 -1.38 0.02 0.00 -1.45 0.00 0.00 42.92 39.99 2wkg s ASP 405 CO 0.51 -1.68 -0.15 -0.47 0.13 0.00 0.00 175.17 173.50 2wkg s TYR 406 N -3.43 2.92 -0.10 -5.34 5.04 -1.26 -2.27 117.35 112.91 2wkg s TYR 406 Ca 0.60 -1.67 0.01 0.00 -2.44 0.00 0.00 57.07 53.57 2wkg s TYR 406 Cb -0.11 -1.96 0.02 0.00 0.35 0.00 0.00 41.96 40.26 2wkg s TYR 406 CO 0.48 -0.78 -0.10 -1.14 -1.34 0.00 0.00 175.55 172.67 2wkg s GLN 407 N 1.28 1.66 -0.21 4.97 -0.44 -0.69 -4.96 119.66 121.28 2wkg s GLN 407 Ca 0.02 -0.34 -0.26 0.00 -2.50 0.00 0.00 55.36 52.28 2wkg s GLN 407 Cb -0.15 -1.56 -0.00 0.00 -1.64 0.00 0.00 33.01 29.66 2wkg s GLN 407 CO -0.10 -0.15 0.88 0.08 0.50 0.00 0.00 175.29 176.51 2wkg s VAL 408 N 1.27 4.81 -0.21 1.34 1.01 -1.26 0.45 120.40 127.81 2wkg s VAL 408 Ca -0.03 1.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 2wkg s VAL 408 Cb -0.14 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.88 2wkg s VAL 408 CO -0.04 -0.07 0.08 0.18 0.00 0.00 0.00 175.10 175.26 2wkg n LEU 409 N 5.82 2.12 -3.93 3.92 4.32 0.21 -4.96 117.00 124.50 2wkg n LEU 409 Ca 0.07 0.32 -0.10 0.00 -0.02 0.00 0.00 56.01 56.28 2wkg n LEU 409 Cb 0.48 -0.96 -0.11 0.00 -1.62 0.00 0.00 43.42 41.20 2wkg n LEU 409 CO 0.49 0.51 -0.32 -0.47 -1.22 0.00 0.00 177.39 176.38 2wkg s TYR 410 N -2.45 0.16 -0.43 -1.77 5.04 -0.78 -4.85 117.35 112.26 2wkg s TYR 410 Ca -0.30 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.01 2wkg s TYR 410 Cb 0.08 -0.12 0.22 0.00 0.35 0.00 0.00 41.96 42.49 2wkg s TYR 410 CO 0.61 -0.17 0.95 0.00 -1.34 0.00 0.00 175.55 175.59 2wkg n ALA 411 N 1.86 -2.65 -2.76 3.97 0.00 -1.25 0.17 120.51 119.85 2wkg n ALA 411 Ca -0.21 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.43 2wkg n ALA 411 Cb 0.56 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.59 2wkg n ALA 411 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wkg s GLN 412 N 0.77 0.48 7.86 0.00 -0.21 -0.74 -3.10 119.66 124.72 2wkg s GLN 412 Ca 0.28 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.37 2wkg s GLN 412 Cb 0.11 -0.44 0.00 0.00 1.00 0.00 0.00 33.01 33.68 2wkg s GLN 412 CO -0.11 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 2wkg n GLY 413 N 2.73 3.10 0.31 3.09 0.00 -1.26 -1.87 105.19 111.29 2wkg n GLY 413 Ca -0.14 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2wkg n GLY 413 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wkg n GLN 414 N 12.96 1.92 -4.58 1.61 -0.06 -1.26 -1.79 117.38 126.18 2wkg n GLN 414 Ca 0.00 -2.55 -0.33 0.00 -2.00 0.00 0.00 57.00 52.11 2wkg n GLN 414 Cb 0.00 -1.55 -0.13 0.00 -4.06 0.00 0.00 30.24 24.50 2wkg n GLN 414 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2wkg s LEU 415 N -2.66 3.05 -0.04 1.69 2.96 -0.78 -0.69 118.68 122.21 2wkg s LEU 415 Ca 0.32 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2wkg s LEU 415 Cb 0.27 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2wkg s LEU 415 CO 0.05 0.22 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.79 2wkg s TYR 416 N 0.05 0.65 -0.08 5.38 6.04 -0.44 -1.80 117.35 127.16 2wkg s TYR 416 Ca -0.02 -0.16 -0.01 0.00 0.04 0.00 0.00 57.07 56.92 2wkg s TYR 416 Cb -0.14 -0.60 0.03 0.00 -1.04 0.00 0.00 41.96 40.21 2wkg s TYR 416 CO 0.03 -0.17 -0.02 -0.51 -1.54 0.00 0.00 175.55 173.34 2wkg s LEU 417 N 0.90 0.82 0.36 6.97 1.02 0.13 -0.85 118.68 128.03 2wkg s LEU 417 Ca -0.11 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 53.95 2wkg s LEU 417 Cb -0.14 -0.52 -0.06 0.00 0.02 0.00 0.00 46.19 45.48 2wkg s LEU 417 CO -0.00 -0.16 0.05 0.72 0.02 0.00 0.00 176.35 176.98 2wkg s PHE 418 N 1.76 2.12 -0.04 0.29 -0.71 -0.63 0.66 117.98 121.43 2wkg s PHE 418 Ca 0.02 -0.89 0.01 0.00 -1.04 0.00 0.00 56.93 55.03 2wkg s PHE 418 Cb -0.13 -1.44 0.02 0.00 -1.21 0.00 0.00 43.02 40.27 2wkg s PHE 418 CO -0.05 0.14 -0.03 0.00 -1.34 0.00 0.00 175.22 173.94 2wkg s ALA 419 N -3.10 0.58 -0.23 1.99 0.00 0.17 -1.25 121.76 119.92 2wkg s ALA 419 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 2wkg s ALA 419 Cb 0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2wkg s ALA 419 CO 0.16 -0.06 0.11 1.03 0.00 0.00 0.00 175.76 176.99 2wkg s ARG 420 N 1.02 3.89 -0.03 0.00 1.81 -0.21 -1.70 118.95 123.73 2wkg s ARG 420 Ca -0.10 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 2wkg s ARG 420 Cb -0.14 -3.39 0.03 0.00 -0.45 0.00 0.00 34.95 31.00 2wkg s ARG 420 CO -0.01 0.01 -0.00 0.95 -0.68 0.00 0.00 175.30 175.57 2wkg s THR 421 N 1.12 0.21 -0.06 0.02 -4.23 -0.96 0.01 115.64 111.76 2wkg s THR 421 Ca 0.05 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 2wkg s THR 421 Cb -0.14 -0.31 0.03 0.00 1.34 0.00 0.00 72.50 73.42 2wkg s THR 421 CO 0.04 0.16 0.03 -0.22 -0.54 0.00 0.00 174.62 174.09 2wkg s LEU 422 N 1.04 0.37 0.00 4.79 2.96 -0.29 -0.48 118.68 127.07 2wkg s LEU 422 Ca -0.10 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2wkg s LEU 422 Cb -0.14 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.26 2wkg s LEU 422 CO -0.02 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 2wkg n GLY 423 N 5.22 2.06 1.08 7.98 0.00 -1.26 -1.74 105.19 118.53 2wkg n GLY 423 Ca -0.05 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.69 2wkg n GLY 423 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wkg n THR 424 N 0.00 0.41 -3.08 2.61 -2.24 -1.26 -4.85 114.28 105.86 2wkg n THR 424 Ca 0.00 -0.70 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 2wkg n THR 424 Cb 0.00 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 2wkg n THR 424 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wkg s GLU 425 N -1.53 3.85 -0.03 -0.78 2.12 -0.71 -4.90 118.70 116.71 2wkg s GLU 425 Ca 0.35 0.28 0.05 0.00 0.36 0.00 0.00 54.97 56.01 2wkg s GLU 425 Cb 0.21 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 2wkg s GLU 425 CO 0.30 -0.64 -0.20 -1.21 -0.54 0.00 0.00 175.26 172.97 2wkg s GLU 426 N 2.70 1.86 0.02 4.30 2.02 -1.26 -1.13 118.70 127.22 2wkg s GLU 426 Ca 0.26 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.59 2wkg s GLU 426 Cb -0.15 -1.68 -0.02 0.00 0.10 0.00 0.00 34.13 32.39 2wkg s GLU 426 CO 0.13 0.35 -0.14 -0.51 0.02 0.00 0.00 175.26 175.10 2wkg s LEU 427 N -0.21 2.13 -0.17 1.80 1.43 0.10 -4.71 118.68 119.05 2wkg s LEU 427 Ca 0.01 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2wkg s LEU 427 Cb -0.10 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.47 2wkg s LEU 427 CO 0.01 0.08 -0.14 -0.63 0.23 0.00 0.00 176.35 175.90 2wkg s ILE 428 N -0.69 2.68 -0.12 -0.59 1.01 -0.82 -1.05 121.20 121.63 2wkg s ILE 428 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2wkg s ILE 428 Cb -0.07 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2wkg s ILE 428 CO 0.01 0.51 -0.14 -0.63 0.00 0.00 0.00 174.94 174.69 2wkg s ILE 429 N 0.97 3.01 -0.04 2.92 -1.09 -0.38 -0.45 121.20 126.15 2wkg s ILE 429 Ca -0.02 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 2wkg s ILE 429 Cb -0.15 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 2wkg s ILE 429 CO -0.02 0.53 -0.13 0.00 -1.23 0.00 0.00 174.94 174.09 2wkg s ALA 430 N 0.28 1.18 -0.08 9.38 0.00 -0.90 -1.60 121.76 130.02 2wkg s ALA 430 Ca -0.10 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2wkg s ALA 430 Cb -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2wkg s ALA 430 CO 0.06 0.18 -0.22 0.42 0.00 0.00 0.00 175.76 176.20 2wkg s ILE 431 N 0.24 1.85 -0.61 0.00 1.09 -0.03 -1.62 121.20 122.12 2wkg s ILE 431 Ca -0.06 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 58.58 2wkg s ILE 431 Cb -0.11 -1.60 0.16 0.00 -1.06 0.00 0.00 42.46 39.84 2wkg s ILE 431 CO 0.02 0.51 0.41 0.21 -0.10 0.00 0.00 174.94 175.99 2wkg s ASN 432 N 0.30 4.99 0.29 3.58 3.04 0.71 -1.33 114.94 126.51 2wkg s ASN 432 Ca -0.15 -2.96 0.01 0.00 0.04 0.00 0.00 52.86 49.80 2wkg s ASN 432 Cb -0.16 -1.79 0.43 0.00 -1.54 0.00 0.00 41.25 38.19 2wkg s ASN 432 CO 0.07 -0.31 1.78 0.00 -3.04 0.00 0.00 177.10 175.59 2wkg h ALA 433 N 6.80 1.18 -1.59 1.71 0.00 -1.16 -1.39 119.26 124.80 2wkg h ALA 433 Ca -0.02 -0.27 -0.46 0.00 0.00 0.00 0.00 54.91 54.16 2wkg h ALA 433 Cb 0.93 -0.16 0.24 0.00 0.00 0.00 0.00 17.79 18.80 2wkg h ALA 433 CO 0.71 0.53 -1.32 0.41 0.00 0.00 0.00 179.25 179.58 2wkg n GLY 434 N -0.62 -2.57 0.81 0.00 0.00 -1.24 -4.19 105.19 97.38 2wkg n GLY 434 Ca 0.01 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.43 2wkg n GLY 434 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wkg n THR 435 N -4.33 0.07 -4.58 2.61 -2.24 -1.26 0.30 114.28 104.85 2wkg n THR 435 Ca 0.00 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 60.93 2wkg n THR 435 Cb 0.64 1.35 -0.16 0.00 -2.10 0.00 0.00 70.33 70.06 2wkg n THR 435 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wkg s SER 436 N -1.59 3.04 -0.48 3.42 0.01 -1.26 -4.68 113.70 112.15 2wkg s SER 436 Ca 0.24 -0.59 -0.46 0.00 1.31 0.00 0.00 55.95 56.46 2wkg s SER 436 Cb 0.17 -1.41 -0.20 0.00 0.21 0.00 0.00 66.02 64.80 2wkg s SER 436 CO 0.25 0.06 1.55 -0.24 0.41 0.00 0.00 173.24 175.27 2wkg n SER 437 N 4.16 1.16 -4.85 2.44 2.88 -1.26 -4.46 113.62 113.69 2wkg n SER 437 Ca -0.20 1.16 -0.21 0.00 -1.33 0.00 0.00 58.87 58.29 2wkg n SER 437 Cb 0.51 -0.86 -0.04 0.00 -0.75 0.00 0.00 64.21 63.08 2wkg n SER 437 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wkg s ALA 438 N 2.88 3.71 -0.12 -1.46 0.00 -0.32 -4.88 121.76 121.58 2wkg s ALA 438 Ca 1.02 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 2wkg s ALA 438 Cb -1.46 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 20.36 2wkg s ALA 438 CO 0.80 0.18 0.31 -0.08 0.00 0.00 0.00 175.76 176.97 2wkg s THR 439 N -2.16 -0.00 -0.02 0.00 -1.32 -1.26 -0.67 115.64 110.21 2wkg s THR 439 Ca 0.35 0.01 -0.04 0.00 -1.21 0.00 0.00 61.69 60.80 2wkg s THR 439 Cb -0.08 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 2wkg s THR 439 CO 0.26 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.77 2wkg s ALA 440 N 0.24 -0.22 -0.22 11.08 0.00 0.12 -4.97 121.76 127.80 2wkg s ALA 440 Ca -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 2wkg s ALA 440 Cb -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2wkg s ALA 440 CO -0.00 -0.11 0.08 -0.80 0.00 0.00 0.00 175.76 174.93 2wkg s ASN 441 N -0.53 5.51 -0.02 0.00 0.01 -1.26 -0.33 114.94 118.32 2wkg s ASN 441 Ca -0.06 -0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.12 2wkg s ASN 441 Cb -0.04 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 2wkg s ASN 441 CO 0.00 0.08 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.78 2wkg s VAL 442 N 0.95 1.56 -0.68 1.60 1.01 0.20 -4.97 120.40 120.08 2wkg s VAL 442 Ca 0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2wkg s VAL 442 Cb -0.14 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.01 2wkg s VAL 442 CO 0.03 0.44 0.97 -0.62 0.00 0.00 0.00 175.10 175.92 2wkg s ASP 443 N -0.41 6.20 -1.13 3.32 3.68 -1.26 -1.41 116.67 125.66 2wkg s ASP 443 Ca 0.06 -1.07 -0.07 0.00 2.13 0.00 0.00 52.55 53.60 2wkg s ASP 443 Cb -0.08 -2.42 0.27 0.00 -1.45 0.00 0.00 42.92 39.24 2wkg s ASP 443 CO -0.00 -1.41 1.44 1.33 0.13 0.00 0.00 175.17 176.66 2wkg n VAL 444 N 5.89 4.90 0.69 1.11 0.24 -1.20 -4.70 118.33 125.27 2wkg n VAL 444 Ca -0.02 -5.46 0.12 0.00 -2.04 0.00 0.00 64.34 56.94 2wkg n VAL 444 Cb 0.46 -2.29 0.22 0.00 -1.47 0.00 0.00 33.84 30.76 2wkg n VAL 444 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wkg n ALA 445 N 2.41 3.01 0.15 2.33 0.00 -1.26 -3.73 120.51 123.42 2wkg n ALA 445 Ca 0.28 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2wkg n ALA 445 Cb 0.36 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 2wkg n ALA 445 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wkg h SER 446 N 0.00 -0.35 -3.90 0.00 0.02 -1.97 -3.46 113.55 103.89 2wkg h SER 446 Ca 0.00 -0.19 -0.54 0.00 -0.84 0.00 0.00 61.79 60.22 2wkg h SER 446 Cb 0.68 0.09 0.18 0.00 0.14 0.00 0.00 62.40 63.49 2wkg h SER 446 CO 0.00 0.06 0.12 0.18 -1.14 0.00 0.00 176.83 176.04 2wkg n LEU 447 N -5.11 3.42 -0.03 5.07 4.32 -1.26 -4.95 117.00 118.46 2wkg n LEU 447 Ca -0.09 0.59 0.02 0.00 -0.02 0.00 0.00 56.01 56.51 2wkg n LEU 447 Cb 0.27 -1.42 -0.02 0.00 -1.62 0.00 0.00 43.42 40.63 2wkg n LEU 447 CO 0.29 -2.09 0.05 1.41 -1.22 0.00 0.00 177.39 175.82 2wkg n HIS 448 N -2.99 0.00 -4.35 -1.77 8.25 -1.26 -4.94 115.22 108.15 2wkg n HIS 448 Ca 0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.42 2wkg n HIS 448 Cb 0.50 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 2wkg n HIS 448 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wkg n THR 449 N -0.86 0.00 -3.58 1.59 -2.24 -1.26 -5.13 114.28 102.79 2wkg n THR 449 Ca 0.01 -1.46 -0.28 0.00 -2.27 0.00 0.00 64.05 60.05 2wkg n THR 449 Cb 0.07 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 2wkg n THR 449 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wkg s GLN 450 N -3.00 1.14 -0.49 -0.78 -0.21 -1.26 -5.06 119.66 110.00 2wkg s GLN 450 Ca 0.09 -2.03 -0.32 0.00 0.02 0.00 0.00 55.36 53.12 2wkg s GLN 450 Cb 0.00 -1.95 -0.12 0.00 1.00 0.00 0.00 33.01 31.94 2wkg s GLN 450 CO 0.06 -1.25 2.34 -2.30 -2.12 0.00 0.00 175.29 172.02 2wkg n PRO 451 N 3.28 0.94 -0.00 2.91 -0.02 -1.26 -3.63 135.00 137.21 2wkg n PRO 451 Ca 0.17 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.87 2wkg n PRO 451 Cb 0.39 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 2wkg n PRO 451 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wkg n ASN 452 N 11.62 2.76 -4.68 2.55 5.03 -0.67 -4.65 115.26 127.21 2wkg n ASN 452 Ca 0.44 -0.07 -0.35 0.00 0.87 0.00 0.00 54.58 55.47 2wkg n ASN 452 Cb 0.29 1.36 -0.09 0.00 -1.02 0.00 0.00 39.78 40.32 2wkg n ASN 452 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2wkg s LYS 453 N -2.53 4.07 -0.84 3.52 1.02 -0.96 -4.93 119.74 119.09 2wkg s LYS 453 Ca -0.03 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.42 2wkg s LYS 453 Cb 0.06 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2wkg s LYS 453 CO 0.36 0.28 1.55 -0.51 -0.92 0.00 0.00 175.35 176.11 2wkg s LEU 454 N 0.37 3.30 0.10 3.17 2.01 -1.26 -1.14 118.68 125.23 2wkg s LEU 454 Ca 0.05 -0.69 -0.31 0.00 0.01 0.00 0.00 54.13 53.20 2wkg s LEU 454 Cb -0.12 -2.56 -0.08 0.00 0.01 0.00 0.00 46.19 43.44 2wkg s LEU 454 CO -0.01 -1.98 1.46 -0.76 1.01 0.00 0.00 176.35 176.07 2wkg s LEU 455 N 6.81 4.36 0.00 1.79 1.43 -0.46 -4.89 118.68 127.72 2wkg s LEU 455 Ca 0.50 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 2wkg s LEU 455 Cb -0.06 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2wkg s LEU 455 CO 0.05 -0.73 0.00 0.00 0.23 0.00 0.00 176.35 175.90 2wkg n TYR 456 N 4.41 0.00 -1.98 0.29 -0.00 -1.26 -1.21 117.16 117.41 2wkg n TYR 456 Ca 0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.61 2wkg n TYR 456 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.73 2wkg n TYR 456 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2wkg s GLY 457 N 0.00 1.60 -1.26 2.98 0.00 -1.24 -4.70 107.32 104.71 2wkg s GLY 457 Ca 0.00 1.13 -0.19 0.00 0.00 0.00 0.00 44.72 45.66 2wkg s GLY 457 CO 0.00 2.85 1.83 -0.37 0.00 0.00 0.00 173.10 177.41 2wkg n THR 458 N 4.80 3.19 -1.27 0.90 5.66 -1.26 -4.22 114.28 122.07 2wkg n THR 458 Ca 0.16 -3.28 -0.39 0.00 -3.05 0.00 0.00 64.05 57.49 2wkg n THR 458 Cb 0.41 -2.30 0.02 0.00 -1.55 0.00 0.00 70.33 66.91 2wkg n THR 458 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wkg n ALA 459 N 10.27 -2.81 -0.12 1.79 0.00 -1.26 -4.77 120.51 123.61 2wkg n ALA 459 Ca 0.48 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.65 2wkg n ALA 459 Cb 0.46 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 2wkg n ALA 459 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wkg n GLU 460 N 1.21 0.60 -1.89 0.00 4.07 -1.03 -5.03 120.64 118.56 2wkg n GLU 460 Ca 0.08 0.16 -0.41 0.00 -0.06 0.00 0.00 57.16 56.93 2wkg n GLU 460 Cb 0.48 -1.47 -0.01 0.00 -0.06 0.00 0.00 31.44 30.37 2wkg n GLU 460 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wkg s ALA 461 N -2.48 3.57 0.00 4.31 0.00 0.57 -4.81 121.76 122.91 2wkg s ALA 461 Ca -0.33 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2wkg s ALA 461 Cb 0.09 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2wkg s ALA 461 CO 0.54 -0.93 0.00 0.39 0.00 0.00 0.00 175.76 175.76 2wkg n GLU 462 N 0.74 0.00 -1.20 0.00 1.02 -0.91 -3.60 120.64 116.70 2wkg n GLU 462 Ca 0.01 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 2wkg n GLU 462 Cb 0.40 -0.02 0.05 0.00 -0.02 0.00 0.00 31.44 31.85 2wkg n GLU 462 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2wkg n TRP 463 N -2.38 -2.04 0.00 -0.32 7.02 -0.27 -3.40 117.44 116.05 2wkg n TRP 463 Ca 0.00 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 2wkg n TRP 463 Cb 0.00 -1.78 0.00 0.00 -2.42 0.00 0.00 31.31 27.11 2wkg n TRP 463 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2wkg n ASN 464 N 0.95 0.00 0.00 -0.99 4.05 -1.25 0.29 115.26 118.31 2wkg n ASN 464 Ca 0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.10 2wkg n ASN 464 Cb 0.50 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.51 2wkg n ASN 464 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wkg n GLY 465 N 0.03 0.31 2.43 8.20 0.00 -1.24 -4.04 105.19 110.88 2wkg n GLY 465 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2wkg n GLY 465 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wkg n GLU 466 N 0.00 0.29 0.00 1.61 0.28 -1.26 -4.88 120.64 116.67 2wkg n GLU 466 Ca 0.00 -1.75 0.00 0.00 -0.16 0.00 0.00 57.16 55.25 2wkg n GLU 466 Cb 0.00 -0.36 -0.00 0.00 1.43 0.00 0.00 31.44 32.51 2wkg n GLU 466 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2wkg n GLU 467 N -2.08 4.88 -1.89 3.44 4.07 -1.26 -3.99 120.64 123.82 2wkg n GLU 467 Ca 0.10 -0.13 -0.22 0.00 -0.06 0.00 0.00 57.16 56.84 2wkg n GLU 467 Cb 0.37 -0.66 -0.07 0.00 -0.06 0.00 0.00 31.44 31.02 2wkg n GLU 467 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2wkg s GLY 468 N -0.85 -0.24 -0.59 8.31 0.00 -1.26 -4.39 107.32 108.31 2wkg s GLY 468 Ca 0.01 -1.53 -0.00 0.00 0.00 0.00 0.00 44.72 43.20 2wkg s GLY 468 CO 0.03 3.79 0.55 2.41 0.00 0.00 0.00 173.10 179.88 2wkg n THR 469 N 8.23 -8.21 -0.75 0.90 -1.04 -1.26 -4.85 114.28 107.29 2wkg n THR 469 Ca 0.43 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.93 2wkg n THR 469 Cb 0.46 -6.20 0.27 0.00 -1.82 0.00 0.00 70.33 63.04 2wkg n THR 469 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2wkg s GLN 470 N -3.02 -2.19 -0.25 -2.82 -0.21 -1.24 -4.79 119.66 105.14 2wkg s GLN 470 Ca 0.01 -0.04 -0.03 0.00 0.02 0.00 0.00 55.36 55.32 2wkg s GLN 470 Cb -0.00 -1.48 0.13 0.00 1.00 0.00 0.00 33.01 32.66 2wkg s GLN 470 CO 0.59 -4.35 0.38 1.14 -2.12 0.00 0.00 175.29 170.93 2wkg s GLN 471 N -5.31 0.35 0.13 2.91 -2.07 -1.26 -3.24 119.66 111.18 2wkg s GLN 471 Ca 0.70 0.52 0.11 0.00 -1.82 0.00 0.00 55.36 54.87 2wkg s GLN 471 Cb -0.10 -0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 31.31 2wkg s GLN 471 CO 0.57 -0.66 -0.25 -1.17 -1.32 0.00 0.00 175.29 172.46 2wkg s LEU 472 N 2.55 2.40 -0.21 2.60 0.20 -0.50 -3.60 118.68 122.11 2wkg s LEU 472 Ca 0.13 -0.71 -0.04 0.00 0.69 0.00 0.00 54.13 54.20 2wkg s LEU 472 Cb -0.15 -1.29 0.11 0.00 -0.43 0.00 0.00 46.19 44.42 2wkg s LEU 472 CO -0.16 0.18 0.31 -0.94 -0.29 0.00 0.00 176.35 175.45 2wkg s SER 473 N -2.07 0.63 0.16 3.68 1.04 0.15 0.63 113.70 117.92 2wkg s SER 473 Ca 0.15 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.78 2wkg s SER 473 Cb -0.10 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 2wkg s SER 473 CO 0.07 -0.30 0.17 -0.76 0.98 0.00 0.00 173.24 173.40 2wkg s LEU 474 N 2.46 3.91 -0.22 2.42 1.43 0.55 -1.11 118.68 128.11 2wkg s LEU 474 Ca 0.08 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 2wkg s LEU 474 Cb -0.15 -2.51 0.10 0.00 0.03 0.00 0.00 46.19 43.66 2wkg s LEU 474 CO -0.13 0.06 0.24 -0.89 0.23 0.00 0.00 176.35 175.86 2wkg s THR 475 N -1.75 -0.35 0.04 5.49 2.01 -1.24 0.15 115.64 120.00 2wkg s THR 475 Ca 0.32 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2wkg s THR 475 Cb -0.10 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2wkg s THR 475 CO 0.24 -0.26 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.03 2wkg s LEU 476 N 2.34 2.87 0.98 4.42 1.02 0.15 0.21 118.68 130.67 2wkg s LEU 476 Ca 0.08 -0.34 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 2wkg s LEU 476 Cb -0.15 -1.67 0.18 0.00 0.02 0.00 0.00 46.19 44.56 2wkg s LEU 476 CO -0.16 0.25 1.11 -2.84 0.02 0.00 0.00 176.35 174.72 2wkg s PRO 477 N -1.61 0.50 0.58 1.29 0.02 -1.26 -1.17 135.00 133.35 2wkg s PRO 477 Ca 0.17 1.32 -0.20 0.00 0.02 0.00 0.00 61.00 62.31 2wkg s PRO 477 Cb -0.11 -1.68 -0.04 0.00 0.02 0.00 0.00 34.50 32.69 2wkg s PRO 477 CO 0.08 -2.91 1.32 0.00 -0.33 0.00 0.00 177.00 175.15 2wkg s ALA 478 N -2.61 2.65 -1.11 -1.55 0.00 -1.26 -3.23 121.76 114.65 2wkg s ALA 478 Ca 0.67 1.25 -0.24 0.00 0.00 0.00 0.00 51.96 53.64 2wkg s ALA 478 Cb -0.23 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.37 2wkg s ALA 478 CO 0.60 -1.41 0.69 0.54 0.00 0.00 0.00 175.76 176.18 2wkg n ARG 479 N -1.36 -0.72 -4.17 0.00 1.74 0.15 -4.93 116.66 107.36 2wkg n ARG 479 Ca 0.12 0.33 -0.12 0.00 -0.77 0.00 0.00 57.85 57.41 2wkg n ARG 479 Cb 0.47 -2.90 -0.09 0.00 -1.02 0.00 0.00 32.46 28.92 2wkg n ARG 479 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wkg s SER 480 N -3.39 0.28 0.22 0.55 0.01 -1.02 -4.96 113.70 105.38 2wkg s SER 480 Ca 0.38 -1.35 -0.13 0.00 1.31 0.00 0.00 55.95 56.16 2wkg s SER 480 Cb -0.19 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2wkg s SER 480 CO 0.93 -0.93 0.44 -0.83 0.41 0.00 0.00 173.24 173.26 2wkg s GLY 481 N -3.16 0.37 0.07 3.44 0.00 -1.26 -0.21 107.32 106.58 2wkg s GLY 481 Ca 0.36 -0.73 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 2wkg s GLY 481 CO 0.13 -0.59 0.83 0.00 0.00 0.00 0.00 173.10 173.47 2wkg s ILE 483 N -3.32 1.40 -0.17 0.00 1.01 -0.35 -2.11 121.20 117.66 2wkg s ILE 483 Ca 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 2wkg s ILE 483 Cb -0.01 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2wkg s ILE 483 CO -0.08 0.42 0.00 -0.76 0.00 0.00 0.00 174.94 174.53 2wkg s LEU 484 N 1.02 3.48 0.00 2.97 1.43 0.41 -1.35 118.68 126.64 2wkg s LEU 484 Ca -0.06 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2wkg s LEU 484 Cb -0.15 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2wkg s LEU 484 CO -0.02 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.35 2wkg n GLY 485 N 3.52 5.20 5.00 -3.19 0.00 -0.29 -1.94 105.19 113.49 2wkg n GLY 485 Ca -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2wkg n GLY 485 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wkg n THR 486 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -1.68 114.28 112.91 2wkg n THR 486 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wkg n THR 486 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wkg n THR 486 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04