#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmk s PRO 3 N 0.00 3.75 0.03 3.49 0.04 -1.26 -4.95 135.00 136.11 1wmk s PRO 3 Ca 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 61.00 59.29 1wmk s PRO 3 Cb 0.00 -5.21 -0.02 0.00 0.04 0.00 0.00 34.50 29.31 1wmk s PRO 3 CO 0.00 -2.01 0.00 -0.06 0.04 0.00 0.00 177.00 174.97 1wmk s PHE 4 N 3.54 0.34 -0.15 0.56 0.08 -1.26 -5.11 117.98 115.98 1wmk s PHE 4 Ca 0.43 -0.71 -0.08 0.00 0.12 0.00 0.00 56.93 56.68 1wmk s PHE 4 Cb -0.01 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 1wmk s PHE 4 CO -0.05 -0.30 0.13 0.15 -0.10 0.00 0.00 175.22 175.05 1wmk s LYS 5 N -2.61 3.75 -0.55 0.44 1.02 -1.26 -5.01 119.74 115.52 1wmk s LYS 5 Ca -0.05 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1wmk s LYS 5 Cb -0.01 -3.28 0.47 0.00 -0.52 0.00 0.00 37.83 34.49 1wmk s LYS 5 CO -0.05 0.57 1.81 0.94 -0.92 0.00 0.00 175.35 177.70 1wmk n GLN 6 N 2.65 2.83 -4.29 1.68 -0.06 -1.26 -3.88 117.38 115.03 1wmk n GLN 6 Ca -0.18 -3.46 -0.31 0.00 -2.00 0.00 0.00 57.00 51.04 1wmk n GLN 6 Cb 0.54 -2.26 -0.09 0.00 -4.06 0.00 0.00 30.24 24.37 1wmk n GLN 6 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1wmk s GLN 7 N -3.71 2.51 0.06 3.69 1.11 -1.26 -5.09 119.66 116.97 1wmk s GLN 7 Ca 0.60 -0.79 -0.31 0.00 0.01 0.00 0.00 55.36 54.88 1wmk s GLN 7 Cb 0.48 -2.51 -0.07 0.00 -1.01 0.00 0.00 33.01 29.91 1wmk s GLN 7 CO 0.01 0.57 1.38 0.15 0.01 0.00 0.00 175.29 177.42 1wmk s LYS 8 N -1.84 4.31 0.25 2.91 1.02 -1.26 -4.75 119.74 120.39 1wmk s LYS 8 Ca 0.21 2.01 0.25 0.00 0.02 0.00 0.00 55.97 58.46 1wmk s LYS 8 Cb -0.11 -3.39 0.89 0.00 -0.52 0.00 0.00 37.83 34.70 1wmk s LYS 8 CO 0.12 -0.48 1.75 -0.24 -0.92 0.00 0.00 175.35 175.58 1wmk h VAL 9 N 4.55 0.00 0.00 3.17 3.04 -1.95 -2.87 116.25 122.19 1wmk h VAL 9 Ca -0.41 -0.39 -0.17 0.00 -1.01 0.00 0.00 66.70 64.72 1wmk h VAL 9 Cb 1.20 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 1wmk h VAL 9 CO 0.88 0.00 -0.82 -0.33 -1.01 0.00 0.00 177.57 176.28 1wmk h GLU 10 N 0.00 0.02 0.00 4.17 3.07 -1.91 -2.50 114.58 117.43 1wmk h GLU 10 Ca 0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 1wmk h GLU 10 Cb 0.58 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1wmk h GLU 10 CO 0.00 0.83 -0.23 -0.44 -1.40 0.00 0.00 179.01 177.77 1wmk h ASP 11 N 0.01 0.00 0.00 1.42 3.32 -1.91 -3.31 116.42 115.95 1wmk h ASP 11 Ca -0.01 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 1wmk h ASP 11 Cb 1.45 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.96 1wmk h ASP 11 CO 0.11 0.23 -2.04 0.49 -1.72 0.00 0.00 179.24 176.31 1wmk n PHE 12 N -3.52 0.00 -4.40 4.55 3.01 -1.22 -4.93 117.46 110.95 1wmk n PHE 12 Ca -0.01 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.25 1wmk n PHE 12 Cb 0.39 -0.72 -0.15 0.00 -0.01 0.00 0.00 39.48 38.99 1wmk n PHE 12 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1wmk s TYR 13 N -2.50 0.97 -0.37 1.38 2.02 -0.94 -0.89 117.35 117.02 1wmk s TYR 13 Ca -0.08 -0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1wmk s TYR 13 Cb 0.06 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 1wmk s TYR 13 CO 0.66 -0.10 0.52 -0.51 -1.57 0.00 0.00 175.55 174.55 1wmk s ASP 14 N 0.20 6.31 0.47 2.29 1.01 0.58 -4.40 116.67 123.12 1wmk s ASP 14 Ca -0.03 -0.13 -0.19 0.00 0.71 0.00 0.00 52.55 52.91 1wmk s ASP 14 Cb -0.09 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.48 1wmk s ASP 14 CO 0.01 -0.53 0.97 -0.63 0.21 0.00 0.00 175.17 175.20 1wmk s ILE 15 N 2.43 4.38 0.00 0.77 1.01 -1.26 -1.90 121.20 126.63 1wmk s ILE 15 Ca 0.19 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1wmk s ILE 15 Cb -0.15 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1wmk s ILE 15 CO 0.14 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.23 1wmk n GLY 16 N -0.97 4.50 3.75 6.18 0.00 -0.58 -4.95 105.19 113.12 1wmk n GLY 16 Ca 0.07 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1wmk n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wmk s GLU 17 N 3.53 4.22 -0.53 1.61 2.12 -1.21 -4.69 118.70 123.76 1wmk s GLU 17 Ca 0.00 2.39 -0.28 0.00 0.36 0.00 0.00 54.97 57.44 1wmk s GLU 17 Cb 0.00 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.32 1wmk s GLU 17 CO 0.00 -0.49 1.37 -2.00 -0.54 0.00 0.00 175.26 173.60 1wmk s GLU 18 N -0.43 3.41 -0.02 4.30 2.12 -1.26 0.74 118.70 127.56 1wmk s GLU 18 Ca 0.60 0.54 -0.26 0.00 0.36 0.00 0.00 54.97 56.21 1wmk s GLU 18 Cb -0.44 -4.08 -0.20 0.00 0.26 0.00 0.00 34.13 29.68 1wmk s GLU 18 CO 0.45 -1.80 1.28 1.25 -0.54 0.00 0.00 175.26 175.90 1wmk h LEU 19 N 12.66 -0.02 -6.09 2.70 5.85 -1.60 -3.47 115.31 125.34 1wmk h LEU 19 Ca -0.26 -0.45 0.25 0.00 0.84 0.00 0.00 57.88 58.26 1wmk h LEU 19 Cb 1.09 0.01 -0.23 0.00 0.37 0.00 0.00 40.66 41.89 1wmk h LEU 19 CO 1.16 0.44 0.30 -0.83 -0.34 0.00 0.00 178.44 179.17 1wmk s GLY 20 N -3.11 -0.08 0.08 3.75 0.00 -1.17 -5.08 107.32 101.72 1wmk s GLY 20 Ca -0.16 3.16 -0.21 0.00 0.00 0.00 0.00 44.72 47.51 1wmk s GLY 20 CO 0.66 3.64 0.64 -1.35 0.00 0.00 0.00 173.10 176.69 1wmk s SER 21 N 2.63 7.15 0.00 1.64 1.04 -1.26 -3.71 113.70 121.18 1wmk s SER 21 Ca -0.03 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1wmk s SER 21 Cb -0.06 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1wmk s SER 21 CO -0.12 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1wmk n GLY 22 N 1.84 1.03 1.29 7.32 0.00 -0.54 -4.97 105.19 111.16 1wmk n GLY 22 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1wmk n GLY 22 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wmk n GLN 23 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.83 117.38 118.92 1wmk n GLN 23 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1wmk n GLN 23 Cb 0.00 -0.36 0.11 0.00 1.02 0.00 0.00 30.24 31.01 1wmk n GLN 23 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1wmk n PHE 24 N -3.06 0.00 -3.88 1.08 3.72 -1.26 -4.94 117.46 109.12 1wmk n PHE 24 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1wmk n PHE 24 Cb 0.25 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 1wmk n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wmk s ALA 25 N -2.09 -0.28 -0.14 4.37 0.00 -1.26 -2.55 121.76 119.81 1wmk s ALA 25 Ca 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1wmk s ALA 25 Cb 0.20 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1wmk s ALA 25 CO 0.35 -0.18 -0.20 0.42 0.00 0.00 0.00 175.76 176.15 1wmk s ILE 26 N -1.19 1.91 -0.25 0.00 1.09 -0.69 -1.46 121.20 120.61 1wmk s ILE 26 Ca -0.13 -0.89 -0.11 0.00 -1.10 0.00 0.00 60.65 58.43 1wmk s ILE 26 Cb -0.07 -1.71 -0.05 0.00 -1.06 0.00 0.00 42.46 39.57 1wmk s ILE 26 CO 0.01 0.52 0.17 -0.69 -0.10 0.00 0.00 174.94 174.85 1wmk s VAL 27 N 0.92 5.32 -0.08 2.92 1.01 -1.24 -1.54 120.40 127.71 1wmk s VAL 27 Ca -0.05 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1wmk s VAL 27 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1wmk s VAL 27 CO -0.03 0.31 -0.17 -0.54 0.00 0.00 0.00 175.10 174.68 1wmk s LYS 28 N 1.30 2.19 -0.30 2.72 1.02 -0.24 -1.51 119.74 124.92 1wmk s LYS 28 Ca 0.07 -0.59 -0.28 0.00 0.02 0.00 0.00 55.97 55.20 1wmk s LYS 28 Cb -0.14 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1wmk s LYS 28 CO 0.07 0.09 2.15 0.21 -0.92 0.00 0.00 175.35 176.94 1wmk s LYS 29 N 0.52 2.97 0.00 1.68 2.20 0.23 -1.32 119.74 126.03 1wmk s LYS 29 Ca -0.16 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 1wmk s LYS 29 Cb -0.16 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.78 1wmk s LYS 29 CO 0.06 -2.28 0.00 0.00 -0.36 0.00 0.00 175.35 172.76 1wmk s ARG 31 N -1.22 0.87 0.17 0.00 3.52 -0.80 -3.18 118.95 118.32 1wmk s ARG 31 Ca 0.00 0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 56.12 1wmk s ARG 31 Cb 0.00 0.42 -0.08 0.00 -1.56 0.00 0.00 34.95 33.74 1wmk s ARG 31 CO 0.00 -0.15 0.92 -2.00 -0.81 0.00 0.00 175.30 173.26 1wmk s GLU 32 N 0.01 4.76 0.08 5.12 2.12 -1.13 -0.31 118.70 129.35 1wmk s GLU 32 Ca -0.02 1.42 -0.16 0.00 0.36 0.00 0.00 54.97 56.57 1wmk s GLU 32 Cb -0.04 -3.32 -0.13 0.00 0.26 0.00 0.00 34.13 30.91 1wmk s GLU 32 CO 0.03 0.40 1.34 0.87 -0.54 0.00 0.00 175.26 177.36 1wmk h LYS 33 N 4.78 0.63 -0.13 4.30 1.57 -1.37 -1.53 116.57 124.82 1wmk h LYS 33 Ca -0.44 -0.40 -0.21 0.00 -1.87 0.00 0.00 60.65 57.72 1wmk h LYS 33 Cb 1.20 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1wmk h LYS 33 CO 0.69 1.02 -0.76 0.66 -0.57 0.00 0.00 179.45 180.49 1wmk h SER 34 N 0.32 0.79 0.00 0.86 4.64 -1.94 -3.36 113.55 114.86 1wmk h SER 34 Ca 0.01 -0.52 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1wmk h SER 34 Cb 0.99 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1wmk h SER 34 CO 0.09 1.30 -1.69 0.35 -0.87 0.00 0.00 176.83 176.01 1wmk n THR 35 N -3.90 0.09 -1.09 2.95 -2.24 -1.26 -5.01 114.28 103.83 1wmk n THR 35 Ca -0.06 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1wmk n THR 35 Cb 0.74 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 1wmk n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wmk n GLY 36 N 1.72 0.59 3.74 3.38 0.00 -0.58 -5.00 105.19 109.05 1wmk n GLY 36 Ca -0.05 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1wmk n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wmk s LEU 37 N -0.69 4.53 -0.10 0.99 1.43 -1.26 -4.77 118.68 118.82 1wmk s LEU 37 Ca 0.00 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.58 1wmk s LEU 37 Cb 0.00 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1wmk s LEU 37 CO 0.00 0.02 1.49 -1.61 0.23 0.00 0.00 176.35 176.48 1wmk s GLU 38 N -0.36 4.20 0.14 1.70 0.41 -1.26 -2.82 118.70 120.71 1wmk s GLU 38 Ca 0.44 1.97 0.01 0.00 -0.41 0.00 0.00 54.97 56.97 1wmk s GLU 38 Cb -0.24 -3.90 -0.04 0.00 -1.78 0.00 0.00 34.13 28.18 1wmk s GLU 38 CO 0.29 -0.79 0.01 0.71 -0.49 0.00 0.00 175.26 174.99 1wmk s TYR 39 N 3.82 1.01 0.14 1.61 2.02 -1.19 -4.51 117.35 120.25 1wmk s TYR 39 Ca 0.66 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1wmk s TYR 39 Cb -0.28 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 1wmk s TYR 39 CO 0.23 -0.32 0.26 0.00 -1.57 0.00 0.00 175.55 174.15 1wmk s ALA 40 N -3.81 3.93 -0.17 3.71 0.00 -0.85 -0.92 121.76 123.66 1wmk s ALA 40 Ca 0.21 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1wmk s ALA 40 Cb 0.07 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.51 1wmk s ALA 40 CO 0.01 0.56 0.09 0.00 0.00 0.00 0.00 175.76 176.42 1wmk s ALA 41 N -1.72 0.42 -0.72 0.00 0.00 -0.43 -1.24 121.76 118.07 1wmk s ALA 41 Ca 0.34 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1wmk s ALA 41 Cb -0.11 -1.02 0.16 0.00 0.00 0.00 0.00 23.12 22.15 1wmk s ALA 41 CO 0.28 -1.15 0.72 0.21 0.00 0.00 0.00 175.76 175.82 1wmk s LYS 42 N 2.14 3.33 -0.66 0.00 2.20 -0.01 -1.08 119.74 125.67 1wmk s LYS 42 Ca 0.02 -1.97 -0.27 0.00 -0.36 0.00 0.00 55.97 53.40 1wmk s LYS 42 Cb -0.16 -4.42 -0.00 0.00 -1.51 0.00 0.00 37.83 31.74 1wmk s LYS 42 CO -0.09 -1.40 1.66 -0.06 -0.36 0.00 0.00 175.35 175.10 1wmk s PHE 43 N 1.31 1.88 -0.16 4.03 0.40 -0.59 -1.75 117.98 123.10 1wmk s PHE 43 Ca 0.14 0.49 -0.15 0.00 -0.60 0.00 0.00 56.93 56.81 1wmk s PHE 43 Cb -0.18 -4.28 -0.04 0.00 0.51 0.00 0.00 43.02 39.03 1wmk s PHE 43 CO -0.03 -2.23 0.36 0.42 0.70 0.00 0.00 175.22 174.44 1wmk s ILE 44 N 7.90 5.26 -0.14 0.64 1.01 -0.84 -1.71 121.20 133.31 1wmk s ILE 44 Ca 0.56 0.68 -0.29 0.00 0.00 0.00 0.00 60.65 61.60 1wmk s ILE 44 Cb -0.11 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1wmk s ILE 44 CO 0.19 0.35 1.21 -0.75 0.00 0.00 0.00 174.94 175.93 1wmk s LYS 45 N 0.68 4.27 0.50 2.79 2.47 -1.06 -1.20 119.74 128.19 1wmk s LYS 45 Ca 0.19 1.61 -0.20 0.00 -1.56 0.00 0.00 55.97 56.02 1wmk s LYS 45 Cb -0.14 -3.69 -0.08 0.00 -1.46 0.00 0.00 37.83 32.46 1wmk s LYS 45 CO 0.06 -0.62 1.04 0.21 0.16 0.00 0.00 175.35 176.20 1wmk s LYS 46 N 3.08 3.77 0.54 4.03 2.20 -0.67 -1.49 119.74 131.19 1wmk s LYS 46 Ca 0.53 1.33 -0.11 0.00 -0.36 0.00 0.00 55.97 57.36 1wmk s LYS 46 Cb -0.21 -2.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.96 1wmk s LYS 46 CO 0.15 -0.45 0.93 0.50 -0.36 0.00 0.00 175.35 176.12 1wmk s ARG 47 N -3.34 3.69 0.00 4.03 3.52 -0.97 -4.47 118.95 121.40 1wmk s ARG 47 Ca 0.66 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1wmk s ARG 47 Cb -0.16 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1wmk s ARG 47 CO 0.22 -0.35 0.11 1.04 -0.81 0.00 0.00 175.30 175.51 1wmk n GLN 48 N -2.17 0.00 0.04 5.12 1.13 -1.26 -4.97 117.38 115.26 1wmk n GLN 48 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1wmk n GLN 48 Cb 0.54 -0.52 0.00 0.00 0.11 0.00 0.00 30.24 30.37 1wmk n GLN 48 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1wmk n SER 49 N -0.38 -0.20 0.00 1.08 7.64 -1.26 -5.12 113.62 115.38 1wmk n SER 49 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wmk n SER 49 Cb 0.00 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1wmk n SER 49 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wmk n ARG 50 N -2.72 0.00 -1.17 1.43 5.12 -1.26 -4.97 116.66 113.09 1wmk n ARG 50 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1wmk n ARG 50 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 1wmk n ARG 50 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wmk n ALA 51 N -3.00 5.74 -2.05 7.54 0.00 -1.26 -4.96 120.51 122.52 1wmk n ALA 51 Ca 0.00 -2.48 -0.41 0.00 0.00 0.00 0.00 53.44 50.55 1wmk n ALA 51 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 1wmk n ALA 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wmk s SER 52 N -0.29 7.23 0.22 0.00 0.01 -1.26 -4.94 113.70 114.66 1wmk s SER 52 Ca 0.45 2.13 0.01 0.00 1.31 0.00 0.00 55.95 59.85 1wmk s SER 52 Cb 0.34 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 64.16 1wmk s SER 52 CO -0.07 -0.25 1.54 0.03 0.41 0.00 0.00 173.24 174.89 1wmk h ARG 53 N 5.09 0.37 -5.48 12.44 3.08 -2.04 -3.44 114.38 124.40 1wmk h ARG 53 Ca -0.44 -0.24 -0.64 0.00 0.07 0.00 0.00 59.98 58.72 1wmk h ARG 53 Cb 1.21 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 1wmk h ARG 53 CO 0.73 0.85 -0.50 1.03 -1.07 0.00 0.00 179.97 181.01 1wmk s ARG 54 N -3.86 3.76 0.00 0.04 0.52 -1.26 -5.01 118.95 113.14 1wmk s ARG 54 Ca -0.05 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1wmk s ARG 54 Cb 0.12 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.32 1wmk s ARG 54 CO 0.82 0.55 0.00 0.41 0.02 0.00 0.00 175.30 177.10 1wmk n GLY 55 N 2.71 2.78 3.78 -3.53 0.00 -1.26 -4.22 105.19 105.44 1wmk n GLY 55 Ca -0.18 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 1wmk n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmk s VAL 56 N -2.20 4.45 0.72 1.61 1.01 -0.56 -4.62 120.40 120.82 1wmk s VAL 56 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1wmk s VAL 56 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1wmk s VAL 56 CO 0.00 -0.04 1.12 -1.20 0.00 0.00 0.00 175.10 174.98 1wmk n SER 57 N -0.10 1.06 0.16 3.32 7.64 -1.26 -2.30 113.62 122.13 1wmk n SER 57 Ca -0.08 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1wmk n SER 57 Cb 0.54 -1.47 0.25 0.00 -1.01 0.00 0.00 64.21 62.51 1wmk n SER 57 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1wmk h ARG 58 N -0.21 0.00 0.18 1.43 9.65 -1.98 -1.92 114.38 121.52 1wmk h ARG 58 Ca -0.48 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.10 1wmk h ARG 58 Cb 1.33 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.93 1wmk h ARG 58 CO 0.48 0.51 -1.34 1.49 2.80 0.00 0.00 179.97 183.92 1wmk h GLU 59 N 0.00 0.44 0.00 0.20 4.81 -2.00 -3.31 114.58 114.73 1wmk h GLU 59 Ca -0.01 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 1wmk h GLU 59 Cb 0.91 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1wmk h GLU 59 CO 0.07 1.34 -0.20 1.49 -0.73 0.00 0.00 179.01 180.97 1wmk h GLU 60 N 0.14 0.00 0.16 1.92 4.81 -1.91 -2.95 114.58 116.75 1wmk h GLU 60 Ca -0.19 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.72 1wmk h GLU 60 Cb 2.04 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.45 1wmk h GLU 60 CO 0.24 0.00 -1.32 0.97 -0.73 0.00 0.00 179.01 178.17 1wmk h ILE 61 N 0.00 1.28 0.00 2.32 6.09 -1.47 -3.01 117.51 122.72 1wmk h ILE 61 Ca 0.00 -2.54 0.00 0.00 -1.37 0.00 0.00 64.86 60.95 1wmk h ILE 61 Cb 0.89 2.80 0.00 0.00 0.47 0.00 0.00 36.82 40.98 1wmk h ILE 61 CO 0.00 0.77 0.00 -1.84 -3.07 0.00 0.00 178.15 174.01 1wmk n GLU 62 N -3.77 0.20 -0.03 2.19 0.28 -1.22 -2.46 120.64 115.84 1wmk n GLU 62 Ca -0.15 0.05 -0.16 0.00 -0.16 0.00 0.00 57.16 56.74 1wmk n GLU 62 Cb 1.03 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 32.27 1wmk n GLU 62 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1wmk h ARG 63 N 0.00 0.11 0.00 3.44 2.43 -1.51 -2.52 114.38 116.34 1wmk h ARG 63 Ca 0.00 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1wmk h ARG 63 Cb 0.34 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1wmk h ARG 63 CO 0.00 1.03 -0.10 1.49 -1.51 0.00 0.00 179.97 180.88 1wmk h GLU 64 N -0.72 0.00 0.03 0.20 4.81 -1.38 -2.54 114.58 114.98 1wmk h GLU 64 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wmk h GLU 64 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1wmk h GLU 64 CO 0.05 0.10 -0.02 0.28 -0.73 0.00 0.00 179.01 178.69 1wmk h VAL 65 N 0.00 1.38 -0.52 0.32 2.07 -1.59 -3.10 116.25 114.80 1wmk h VAL 65 Ca -0.00 -1.48 0.15 0.00 0.82 0.00 0.00 66.70 66.20 1wmk h VAL 65 Cb 0.19 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1wmk h VAL 65 CO 0.01 0.37 0.46 -1.28 0.02 0.00 0.00 177.57 177.15 1wmk h SER 66 N -0.71 0.00 0.25 0.57 0.87 -1.05 0.52 113.55 114.00 1wmk h SER 66 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1wmk h SER 66 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1wmk h SER 66 CO 0.01 0.00 -0.12 0.40 -0.53 0.00 0.00 176.83 176.59 1wmk h ILE 67 N 0.00 0.46 0.00 2.23 1.08 -1.55 -3.27 117.51 116.46 1wmk h ILE 67 Ca 0.25 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1wmk h ILE 67 Cb 1.17 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1wmk h ILE 67 CO -0.00 0.12 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.45 1wmk h LEU 68 N -0.98 0.00 -0.67 1.44 3.38 -0.87 0.42 115.31 118.03 1wmk h LEU 68 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1wmk h LEU 68 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wmk h LEU 68 CO 0.06 0.05 -0.62 0.03 0.09 0.00 0.00 178.44 178.05 1wmk h ARG 69 N 0.00 0.18 -0.00 1.13 3.08 -1.37 -3.09 114.38 114.31 1wmk h ARG 69 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1wmk h ARG 69 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1wmk h ARG 69 CO 0.01 0.74 -0.01 1.04 -1.07 0.00 0.00 179.97 180.67 1wmk n GLN 70 N -3.85 0.39 -3.58 0.04 6.02 0.11 -4.76 117.38 111.75 1wmk n GLN 70 Ca -0.02 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 1wmk n GLN 70 Cb 0.62 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.28 1wmk n GLN 70 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wmk s VAL 71 N -2.62 4.38 -0.38 5.09 1.01 -1.01 -5.01 120.40 121.86 1wmk s VAL 71 Ca 0.27 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1wmk s VAL 71 Cb 0.20 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 33.06 1wmk s VAL 71 CO 0.47 -0.46 0.13 -0.76 0.00 0.00 0.00 175.10 174.48 1wmk s LEU 72 N 1.47 3.63 -0.01 3.92 1.43 -1.26 -4.69 118.68 123.17 1wmk s LEU 72 Ca 0.03 -2.26 -0.25 0.00 -1.03 0.00 0.00 54.13 50.62 1wmk s LEU 72 Cb -0.22 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.73 1wmk s LEU 72 CO 0.03 -0.34 0.55 -2.28 0.23 0.00 0.00 176.35 174.55 1wmk s HIS 73 N 0.77 -0.49 0.19 0.29 2.46 -1.26 -5.07 115.29 112.18 1wmk s HIS 73 Ca 0.13 0.74 0.06 0.00 0.47 0.00 0.00 55.06 56.46 1wmk s HIS 73 Cb -0.21 0.33 0.08 0.00 -0.13 0.00 0.00 32.58 32.64 1wmk s HIS 73 CO -0.10 -0.58 1.44 1.12 -2.47 0.00 0.00 174.74 174.16 1wmk h HIS 74 N 3.10 0.14 -0.00 3.88 2.07 -1.97 -3.28 115.15 119.09 1wmk h HIS 74 Ca -0.29 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1wmk h HIS 74 Cb 1.17 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1wmk h HIS 74 CO 0.40 0.86 -0.38 -1.71 -3.07 0.00 0.00 177.93 174.03 1wmk n ASN 75 N -3.65 0.79 -4.54 3.10 4.05 -1.26 -4.85 115.26 108.90 1wmk n ASN 75 Ca -0.02 -0.61 -0.25 0.00 0.45 0.00 0.00 54.58 54.16 1wmk n ASN 75 Cb 0.77 0.21 -0.10 0.00 1.23 0.00 0.00 39.78 41.89 1wmk n ASN 75 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1wmk s VAL 76 N -2.74 2.50 0.76 3.44 -7.23 -1.24 -2.66 120.40 113.24 1wmk s VAL 76 Ca 0.18 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 1wmk s VAL 76 Cb 0.18 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.61 1wmk s VAL 76 CO 0.61 -0.28 1.11 -0.51 -0.31 0.00 0.00 175.10 175.72 1wmk s ILE 77 N -2.53 3.05 -0.08 -0.62 2.07 -0.83 -4.66 121.20 117.59 1wmk s ILE 77 Ca 0.32 0.39 0.02 0.00 -1.41 0.00 0.00 60.65 59.97 1wmk s ILE 77 Cb -0.01 -2.83 0.01 0.00 0.13 0.00 0.00 42.46 39.76 1wmk s ILE 77 CO 0.17 -0.40 -0.13 0.42 -1.91 0.00 0.00 174.94 173.09 1wmk s THR 78 N -2.66 1.26 -0.14 4.00 -4.23 -1.26 -4.79 115.64 107.81 1wmk s THR 78 Ca 0.64 -0.53 -0.29 0.00 -1.18 0.00 0.00 61.69 60.33 1wmk s THR 78 Cb -0.20 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.48 1wmk s THR 78 CO 0.52 0.39 1.13 -0.22 -0.54 0.00 0.00 174.62 175.89 1wmk s LEU 79 N 0.83 4.20 -0.11 4.79 2.96 -1.26 -2.06 118.68 128.02 1wmk s LEU 79 Ca -0.11 1.60 -0.03 0.00 -0.22 0.00 0.00 54.13 55.37 1wmk s LEU 79 Cb -0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1wmk s LEU 79 CO 0.02 -0.62 -0.03 -0.74 -1.32 0.00 0.00 176.35 173.66 1wmk h HIS 80 N 7.55 0.00 -3.70 5.38 -0.00 -1.12 -3.48 115.15 119.78 1wmk h HIS 80 Ca -0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 59.99 1wmk h HIS 80 Cb 1.12 0.00 -0.16 0.00 -0.00 0.00 0.00 27.41 28.37 1wmk h HIS 80 CO 0.75 0.03 -0.41 0.34 -0.00 0.00 0.00 177.93 178.64 1wmk s ASP 81 N -5.62 0.10 -0.15 3.26 3.68 -0.73 -5.02 116.67 112.19 1wmk s ASP 81 Ca -0.04 -0.51 0.01 0.00 2.13 0.00 0.00 52.55 54.14 1wmk s ASP 81 Cb 0.00 0.30 0.02 0.00 -1.45 0.00 0.00 42.92 41.79 1wmk s ASP 81 CO 0.07 -0.62 -0.17 -0.69 0.13 0.00 0.00 175.17 173.89 1wmk s VAL 82 N -3.10 1.79 0.03 1.11 1.01 -1.26 -0.30 120.40 119.68 1wmk s VAL 82 Ca -0.01 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1wmk s VAL 82 Cb 0.01 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1wmk s VAL 82 CO -0.07 0.50 -0.26 -0.31 0.00 0.00 0.00 175.10 174.96 1wmk s TYR 83 N 1.23 2.31 0.03 5.22 1.51 -0.68 -4.27 117.35 122.70 1wmk s TYR 83 Ca 0.01 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1wmk s TYR 83 Cb -0.14 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1wmk s TYR 83 CO -0.08 0.08 0.04 -1.83 -1.11 0.00 0.00 175.55 172.65 1wmk s GLU 84 N -1.07 0.48 0.02 -0.62 -1.05 -1.25 -1.18 118.70 114.03 1wmk s GLU 84 Ca 0.11 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1wmk s GLU 84 Cb -0.10 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1wmk s GLU 84 CO 0.01 -0.10 0.00 0.27 0.95 0.00 0.00 175.26 176.39 1wmk n ASN 85 N 1.08 0.07 0.04 0.83 6.94 -1.09 -4.70 115.26 118.43 1wmk n ASN 85 Ca -0.21 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 1wmk n ASN 85 Cb 0.57 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1wmk n ASN 85 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1wmk n ARG 86 N -2.61 0.00 0.19 -3.83 0.63 -1.26 -4.97 116.66 104.81 1wmk n ARG 86 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1wmk n ARG 86 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1wmk n ARG 86 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1wmk h THR 87 N 0.00 0.62 -2.83 5.15 2.02 -1.97 -3.45 112.91 112.46 1wmk h THR 87 Ca 0.00 -0.47 -0.46 0.00 0.77 0.00 0.00 66.41 66.25 1wmk h THR 87 Cb 0.00 0.85 -0.14 0.00 -1.74 0.00 0.00 68.15 67.12 1wmk h THR 87 CO 0.00 0.09 -0.73 -1.81 0.37 0.00 0.00 175.52 173.43 1wmk s ASP 88 N -4.96 2.64 -0.30 4.18 1.01 -1.26 -1.68 116.67 116.30 1wmk s ASP 88 Ca -0.15 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.09 1wmk s ASP 88 Cb 0.02 -0.15 0.06 0.00 1.01 0.00 0.00 42.92 43.87 1wmk s ASP 88 CO 0.55 -0.17 -0.01 -0.69 0.21 0.00 0.00 175.17 175.06 1wmk s VAL 89 N -2.95 2.67 -0.18 -1.27 1.01 -0.34 -2.69 120.40 116.65 1wmk s VAL 89 Ca 0.23 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.44 1wmk s VAL 89 Cb -0.01 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1wmk s VAL 89 CO 0.07 -0.18 0.33 0.54 0.00 0.00 0.00 175.10 175.86 1wmk s VAL 90 N 1.16 5.27 -0.31 2.92 0.11 -0.32 -2.00 120.40 127.23 1wmk s VAL 90 Ca -0.04 0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 59.52 1wmk s VAL 90 Cb -0.20 -3.67 -0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1wmk s VAL 90 CO -0.03 0.33 0.13 -0.76 -3.33 0.00 0.00 175.10 171.43 1wmk s LEU 91 N 0.84 4.02 -0.46 2.54 1.43 -0.72 -1.68 118.68 124.66 1wmk s LEU 91 Ca 0.17 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1wmk s LEU 91 Cb -0.14 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1wmk s LEU 91 CO 0.06 -0.20 1.14 -0.63 0.23 0.00 0.00 176.35 176.95 1wmk s ILE 92 N 1.57 4.23 0.45 -0.59 1.09 0.59 -0.83 121.20 127.72 1wmk s ILE 92 Ca 0.04 1.28 0.07 0.00 -1.10 0.00 0.00 60.65 60.93 1wmk s ILE 92 Cb -0.17 -4.58 -0.01 0.00 -1.06 0.00 0.00 42.46 36.63 1wmk s ILE 92 CO 0.05 -0.95 0.32 -0.76 -0.10 0.00 0.00 174.94 173.49 1wmk s LEU 93 N 4.39 3.09 -0.20 2.97 1.43 -0.38 -0.56 118.68 129.42 1wmk s LEU 93 Ca 0.48 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1wmk s LEU 93 Cb -0.08 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1wmk s LEU 93 CO 0.30 -0.75 1.48 -0.70 0.23 0.00 0.00 176.35 176.91 1wmk s GLU 94 N -4.10 3.96 0.19 1.70 2.12 -0.88 -2.00 118.70 119.69 1wmk s GLU 94 Ca 0.41 1.64 -0.32 0.00 0.36 0.00 0.00 54.97 57.07 1wmk s GLU 94 Cb -0.01 -3.94 -0.11 0.00 0.26 0.00 0.00 34.13 30.33 1wmk s GLU 94 CO 0.24 -1.08 1.68 -1.17 -0.54 0.00 0.00 175.26 174.39 1wmk s LEU 95 N 4.52 4.37 -0.12 2.70 2.96 -1.26 -4.74 118.68 127.11 1wmk s LEU 95 Ca 0.65 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 57.35 1wmk s LEU 95 Cb -0.24 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.88 1wmk s LEU 95 CO 0.25 -0.93 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.55 1wmk s VAL 96 N 1.22 1.26 -0.40 1.68 1.01 -1.26 -4.95 120.40 118.97 1wmk s VAL 96 Ca 0.74 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1wmk s VAL 96 Cb -0.48 -1.23 0.23 0.00 0.00 0.00 0.00 36.38 34.90 1wmk s VAL 96 CO 0.32 0.41 0.47 -1.54 0.00 0.00 0.00 175.10 174.76 1wmk n SER 97 N 4.78 0.02 -0.51 3.32 3.41 -1.25 -4.88 113.62 118.51 1wmk n SER 97 Ca -0.15 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1wmk n SER 97 Cb 0.50 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1wmk n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmk n GLY 98 N 1.81 0.60 0.84 5.00 0.00 -0.72 -4.69 105.19 108.03 1wmk n GLY 98 Ca 0.24 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1wmk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmk n GLY 99 N 0.01 -1.85 3.78 -0.02 0.00 -1.26 -4.44 105.19 101.41 1wmk n GLY 99 Ca -0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 1wmk n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wmk s GLU 100 N -2.01 2.40 0.15 1.61 2.02 -1.26 -1.83 118.70 119.77 1wmk s GLU 100 Ca 0.00 1.06 -0.14 0.00 0.02 0.00 0.00 54.97 55.92 1wmk s GLU 100 Cb 0.00 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.34 1wmk s GLU 100 CO 0.00 -1.51 1.68 1.25 0.02 0.00 0.00 175.26 176.69 1wmk h LEU 101 N -1.03 0.72 -1.60 1.80 5.85 -1.47 -2.64 115.31 116.94 1wmk h LEU 101 Ca -0.44 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 1wmk h LEU 101 Cb 1.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1wmk h LEU 101 CO 0.53 0.73 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.91 1wmk h PHE 102 N 0.66 0.00 -0.30 1.25 -1.00 -1.83 -1.47 116.94 114.26 1wmk h PHE 102 Ca 0.16 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.86 1wmk h PHE 102 Cb 0.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1wmk h PHE 102 CO 0.01 0.20 -0.11 0.22 -1.61 0.00 0.00 178.31 177.02 1wmk h ASP 103 N 0.00 0.62 -0.27 2.17 1.82 -1.85 -2.22 116.42 116.69 1wmk h ASP 103 Ca -0.00 -0.39 -0.10 0.00 -0.39 0.00 0.00 57.03 56.14 1wmk h ASP 103 Cb 0.49 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1wmk h ASP 103 CO 0.03 0.87 -0.18 0.15 -1.61 0.00 0.00 179.24 178.49 1wmk h PHE 104 N 0.36 0.81 0.00 0.28 3.04 -1.15 -2.87 116.94 117.41 1wmk h PHE 104 Ca 0.07 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.82 1wmk h PHE 104 Cb 0.62 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 1wmk h PHE 104 CO 0.06 0.85 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.99 1wmk h LEU 105 N 0.64 0.00 -1.00 0.59 3.38 -1.28 -2.59 115.31 115.06 1wmk h LEU 105 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1wmk h LEU 105 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1wmk h LEU 105 CO 0.05 0.14 -0.48 0.00 0.09 0.00 0.00 178.44 178.24 1wmk h ALA 106 N 1.86 1.17 -0.41 1.53 0.00 -1.17 -3.14 119.26 119.10 1wmk h ALA 106 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1wmk h ALA 106 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wmk h ALA 106 CO 0.02 0.61 -0.14 0.37 0.00 0.00 0.00 179.25 180.10 1wmk h GLN 107 N 0.04 0.81 -6.52 0.00 5.75 -1.41 -3.46 115.11 110.32 1wmk h GLN 107 Ca -0.00 -0.33 -0.60 0.00 -0.15 0.00 0.00 58.65 57.56 1wmk h GLN 107 Cb 0.86 -0.03 0.10 0.00 1.07 0.00 0.00 27.48 29.48 1wmk h GLN 107 CO 0.06 0.96 0.31 1.63 -2.65 0.00 0.00 178.83 179.15 1wmk n LYS 108 N -4.28 1.59 0.00 1.69 4.76 -1.19 -4.93 118.16 115.81 1wmk n LYS 108 Ca -0.01 0.56 0.11 0.00 -2.87 0.00 0.00 58.31 56.10 1wmk n LYS 108 Cb 0.40 -2.05 -0.10 0.00 -1.84 0.00 0.00 35.03 31.44 1wmk n LYS 108 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1wmk n GLU 109 N 1.11 0.34 0.00 1.97 0.00 -1.26 -4.85 120.64 117.94 1wmk n GLU 109 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1wmk n GLU 109 Cb 0.31 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1wmk n GLU 109 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1wmk n SER 110 N -1.93 0.00 -2.33 -1.84 3.41 -1.26 -5.06 113.62 104.60 1wmk n SER 110 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wmk n SER 110 Cb 0.45 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1wmk n SER 110 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1wmk n LEU 111 N -1.31 -5.28 -4.95 1.04 7.94 -1.26 -4.68 117.00 108.50 1wmk n LEU 111 Ca 0.00 2.43 -0.27 0.00 -1.11 0.00 0.00 56.01 57.05 1wmk n LEU 111 Cb 0.00 -2.89 0.14 0.00 0.53 0.00 0.00 43.42 41.20 1wmk n LEU 111 CO 0.00 -2.77 0.73 -0.94 -1.11 0.00 0.00 177.39 173.30 1wmk s SER 112 N -0.48 3.82 0.39 1.96 1.04 -1.26 -3.34 113.70 115.84 1wmk s SER 112 Ca -0.02 0.12 0.21 0.00 0.48 0.00 0.00 55.95 56.73 1wmk s SER 112 Cb 0.00 -0.38 0.32 0.00 0.10 0.00 0.00 66.02 66.06 1wmk s SER 112 CO 0.07 -2.25 1.58 -0.08 0.98 0.00 0.00 173.24 173.54 1wmk h GLU 113 N -1.11 0.00 -0.02 4.02 4.81 -1.52 -1.28 114.58 119.48 1wmk h GLU 113 Ca -0.42 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1wmk h GLU 113 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wmk h GLU 113 CO 0.43 0.17 -0.17 1.49 -0.73 0.00 0.00 179.01 180.20 1wmk h GLU 114 N 0.00 0.16 -0.69 1.92 4.81 -1.75 -2.71 114.58 116.32 1wmk h GLU 114 Ca -0.00 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1wmk h GLU 114 Cb 1.09 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1wmk h GLU 114 CO 0.02 0.82 0.45 0.93 -0.73 0.00 0.00 179.01 180.50 1wmk h GLU 115 N -0.45 0.75 -0.24 1.92 5.08 -1.88 -2.11 114.58 117.65 1wmk h GLU 115 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1wmk h GLU 115 Cb 0.86 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1wmk h GLU 115 CO 0.04 0.50 0.06 0.00 -1.00 0.00 0.00 179.01 178.60 1wmk h ALA 116 N 1.61 0.31 -0.15 3.43 0.00 -1.29 -2.98 119.26 120.20 1wmk h ALA 116 Ca 0.28 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1wmk h ALA 116 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wmk h ALA 116 CO -0.09 -0.04 0.13 1.15 0.00 0.00 0.00 179.25 180.41 1wmk h THR 117 N 0.21 0.66 -0.58 0.00 2.02 -1.04 -1.03 112.91 113.15 1wmk h THR 117 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1wmk h THR 117 Cb 0.27 0.90 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 1wmk h THR 117 CO 0.00 0.00 0.12 -1.28 0.37 0.00 0.00 175.52 174.74 1wmk h SER 118 N 0.00 0.01 0.01 4.18 0.87 -1.34 -1.90 113.55 115.38 1wmk h SER 118 Ca 0.07 0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 1wmk h SER 118 Cb 0.34 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1wmk h SER 118 CO -0.00 0.02 -0.51 -0.26 -0.53 0.00 0.00 176.83 175.55 1wmk h PHE 119 N 0.26 0.50 -0.88 2.24 -1.00 -1.32 -3.05 116.94 113.69 1wmk h PHE 119 Ca 0.30 -0.28 0.16 0.00 2.81 0.00 0.00 57.97 60.96 1wmk h PHE 119 Cb 0.43 -0.06 -0.10 0.00 3.61 0.00 0.00 35.95 39.83 1wmk h PHE 119 CO -0.24 1.10 0.46 0.82 -1.61 0.00 0.00 178.31 178.84 1wmk h ILE 120 N -0.23 0.69 -0.57 -0.55 1.08 -1.43 -0.24 117.51 116.25 1wmk h ILE 120 Ca -0.07 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1wmk h ILE 120 Cb 1.24 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 1wmk h ILE 120 CO 0.10 0.11 0.28 0.50 -0.69 0.00 0.00 178.15 178.45 1wmk h LYS 121 N 0.62 0.81 -0.33 2.37 3.11 -1.39 -0.96 116.57 120.81 1wmk h LYS 121 Ca 0.50 -0.12 0.06 0.00 -2.81 0.00 0.00 60.65 58.28 1wmk h LYS 121 Cb 0.75 -0.15 -0.06 0.00 -1.00 0.00 0.00 32.23 31.77 1wmk h LYS 121 CO -0.39 0.66 -0.05 1.96 -2.81 0.00 0.00 179.45 178.82 1wmk h GLN 122 N 0.77 0.04 0.28 1.90 4.20 -0.95 -0.07 115.11 121.27 1wmk h GLN 122 Ca 0.20 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1wmk h GLN 122 Cb 0.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1wmk h GLN 122 CO -0.03 0.02 -0.26 0.82 -0.67 0.00 0.00 178.83 178.72 1wmk h ILE 123 N 0.04 0.44 -0.91 2.54 5.03 -1.08 -2.59 117.51 120.98 1wmk h ILE 123 Ca 0.16 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 65.10 1wmk h ILE 123 Cb 0.23 0.44 -0.07 0.00 -3.03 0.00 0.00 36.82 34.40 1wmk h ILE 123 CO -0.31 0.00 0.60 -0.07 -0.68 0.00 0.00 178.15 177.69 1wmk h LEU 124 N -0.56 0.41 0.17 1.44 3.38 -0.75 -1.22 115.31 118.17 1wmk h LEU 124 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wmk h LEU 124 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wmk h LEU 124 CO -0.05 0.16 -0.08 0.44 0.09 0.00 0.00 178.44 179.00 1wmk h ASP 125 N 0.41 -0.19 -0.82 -0.43 5.19 -0.63 0.93 116.42 120.88 1wmk h ASP 125 Ca 0.47 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1wmk h ASP 125 Cb 1.18 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 1wmk h ASP 125 CO -0.18 0.06 0.53 1.23 -3.12 0.00 0.00 179.24 177.75 1wmk h GLY 126 N -0.44 1.17 1.06 2.75 0.00 -1.20 -2.48 103.07 103.93 1wmk h GLY 126 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1wmk h GLY 126 CO 0.04 0.44 -0.06 -2.08 0.00 0.00 0.00 176.54 174.88 1wmk h VAL 127 N 1.12 1.27 -0.53 4.60 2.07 -1.04 -2.83 116.25 120.90 1wmk h VAL 127 Ca 0.30 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1wmk h VAL 127 Cb -0.10 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1wmk h VAL 127 CO -0.06 0.42 0.03 -1.13 0.02 0.00 0.00 177.57 176.85 1wmk h ASN 128 N 0.85 0.85 -0.71 0.57 -1.24 -0.58 -1.66 115.58 113.67 1wmk h ASN 128 Ca 0.14 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 56.95 1wmk h ASN 128 Cb 0.61 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 1wmk h ASN 128 CO 0.04 0.90 0.47 0.22 -1.29 0.00 0.00 177.43 177.77 1wmk h TYR 129 N 0.83 0.89 0.07 0.67 3.20 -1.22 -1.69 116.97 119.72 1wmk h TYR 129 Ca 0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1wmk h TYR 129 Cb 0.45 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1wmk h TYR 129 CO 0.03 0.56 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.01 1wmk h LEU 130 N 0.96 -0.08 -1.91 2.82 3.38 -1.27 -3.06 115.31 116.16 1wmk h LEU 130 Ca 0.26 -0.49 0.12 0.00 0.09 0.00 0.00 57.88 57.86 1wmk h LEU 130 Cb -0.11 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1wmk h LEU 130 CO -0.06 0.48 0.32 0.45 0.09 0.00 0.00 178.44 179.73 1wmk h HIS 131 N -0.67 0.11 -0.43 1.13 3.86 -1.14 -0.23 115.15 117.77 1wmk h HIS 131 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1wmk h HIS 131 Cb 0.56 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1wmk h HIS 131 CO 0.11 0.05 -0.00 1.15 0.86 0.00 0.00 177.93 180.09 1wmk h THR 132 N 0.10 1.26 -0.01 2.45 2.02 -1.31 -2.28 112.91 115.14 1wmk h THR 132 Ca 0.22 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1wmk h THR 132 Cb 0.74 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1wmk h THR 132 CO -0.02 0.36 0.00 0.29 0.37 0.00 0.00 175.52 176.51 1wmk n LYS 133 N -4.40 1.02 -3.75 6.66 4.76 -0.26 -4.88 118.16 117.31 1wmk n LYS 133 Ca -0.00 -0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.14 1wmk n LYS 133 Cb 0.30 -1.08 0.05 0.00 -1.84 0.00 0.00 35.03 32.46 1wmk n LYS 133 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wmk n LYS 134 N -0.40 -6.80 -4.65 1.97 4.01 -0.86 -4.94 118.16 106.49 1wmk n LYS 134 Ca 0.00 0.72 -0.34 0.00 -0.51 0.00 0.00 58.31 58.18 1wmk n LYS 134 Cb 0.05 -5.70 -0.11 0.00 -0.51 0.00 0.00 35.03 28.76 1wmk n LYS 134 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wmk s ILE 135 N -3.31 3.66 -0.23 -0.18 1.01 -0.29 -1.90 121.20 119.96 1wmk s ILE 135 Ca 0.62 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1wmk s ILE 135 Cb -0.29 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.74 1wmk s ILE 135 CO 0.78 0.60 -0.06 0.00 0.00 0.00 0.00 174.94 176.25 1wmk s ALA 136 N -0.81 1.95 -0.74 9.38 0.00 -1.14 -3.39 121.76 127.01 1wmk s ALA 136 Ca 0.12 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 1wmk s ALA 136 Cb -0.11 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.66 1wmk s ALA 136 CO 0.01 -1.11 1.25 -1.58 0.00 0.00 0.00 175.76 174.33 1wmk s HIS 137 N 1.40 2.34 0.15 0.00 2.46 -1.26 -2.61 115.29 117.77 1wmk s HIS 137 Ca -0.05 -0.16 0.13 0.00 0.47 0.00 0.00 55.06 55.46 1wmk s HIS 137 Cb -0.18 -4.59 0.32 0.00 -0.13 0.00 0.00 32.58 28.00 1wmk s HIS 137 CO -0.07 -2.02 1.57 0.74 -2.47 0.00 0.00 174.74 172.49 1wmk h PHE 138 N 9.96 0.00 -2.44 3.88 0.04 -1.77 -3.39 116.94 123.22 1wmk h PHE 138 Ca -0.26 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.83 1wmk h PHE 138 Cb 1.05 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.03 1wmk h PHE 138 CO 1.12 0.59 0.78 0.34 -0.60 0.00 0.00 178.31 180.54 1wmk s ASP 139 N -6.63 6.56 -0.56 2.17 2.15 -1.25 -4.91 116.67 114.21 1wmk s ASP 139 Ca 0.00 -1.90 0.03 0.00 0.43 0.00 0.00 52.55 51.11 1wmk s ASP 139 Cb 0.11 -2.40 0.14 0.00 -0.30 0.00 0.00 42.92 40.47 1wmk s ASP 139 CO 0.74 -1.11 0.32 -0.76 -0.17 0.00 0.00 175.17 174.19 1wmk s LEU 140 N 2.86 4.54 0.26 -1.34 1.43 -1.26 -4.93 118.68 120.24 1wmk s LEU 140 Ca 0.31 -3.05 0.09 0.00 -1.03 0.00 0.00 54.13 50.45 1wmk s LEU 140 Cb -0.07 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1wmk s LEU 140 CO -0.07 -0.25 -0.14 -1.59 0.23 0.00 0.00 176.35 174.53 1wmk s LYS 141 N -0.34 1.54 0.63 1.70 -2.85 -1.26 -4.82 119.74 114.34 1wmk s LYS 141 Ca 0.18 -1.72 0.33 0.00 -1.00 0.00 0.00 55.97 53.76 1wmk s LYS 141 Cb -0.23 -1.41 1.84 0.00 -2.06 0.00 0.00 37.83 35.97 1wmk s LYS 141 CO -0.02 0.21 2.10 -1.35 0.10 0.00 0.00 175.35 176.39 1wmk h PRO 142 N 2.36 0.00 0.00 1.78 0.11 -1.98 0.14 132.00 134.41 1wmk h PRO 142 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1wmk h PRO 142 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wmk h PRO 142 CO 0.63 0.00 -0.14 0.39 -0.21 0.00 0.00 178.00 178.67 1wmk n GLU 143 N -3.32 0.26 0.02 1.05 4.71 -1.26 -3.34 120.64 118.76 1wmk n GLU 143 Ca -0.00 0.18 0.11 0.00 -0.01 0.00 0.00 57.16 57.44 1wmk n GLU 143 Cb 0.29 -1.77 0.07 0.00 -1.01 0.00 0.00 31.44 29.02 1wmk n GLU 143 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1wmk n ASN 144 N -2.20 0.63 -4.42 1.62 5.03 0.46 -4.76 115.26 111.62 1wmk n ASN 144 Ca 0.05 -0.25 -0.44 0.00 0.87 0.00 0.00 54.58 54.81 1wmk n ASN 144 Cb 0.43 0.65 -0.04 0.00 -1.02 0.00 0.00 39.78 39.81 1wmk n ASN 144 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wmk s ILE 145 N -3.14 4.70 0.43 2.41 1.01 -1.04 -2.56 121.20 123.01 1wmk s ILE 145 Ca 0.06 -1.09 0.08 0.00 0.00 0.00 0.00 60.65 59.69 1wmk s ILE 145 Cb 0.15 -4.64 0.01 0.00 0.01 0.00 0.00 42.46 37.99 1wmk s ILE 145 CO 0.78 -1.34 0.53 -0.04 0.00 0.00 0.00 174.94 174.87 1wmk s MET 146 N 2.91 2.69 -0.01 2.79 -1.94 0.42 -1.49 119.30 124.67 1wmk s MET 146 Ca 0.22 -1.37 0.06 0.00 -1.71 0.00 0.00 55.69 52.88 1wmk s MET 146 Cb -0.15 -2.63 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 1wmk s MET 146 CO 0.01 -0.30 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.04 1wmk s LEU 147 N -4.31 2.05 -0.06 -0.03 1.02 -0.76 -0.65 118.68 115.93 1wmk s LEU 147 Ca 0.53 -0.34 -0.21 0.00 0.02 0.00 0.00 54.13 54.13 1wmk s LEU 147 Cb -0.08 -0.93 -0.16 0.00 0.02 0.00 0.00 46.19 45.04 1wmk s LEU 147 CO 0.32 0.22 0.83 0.25 0.02 0.00 0.00 176.35 177.98 1wmk h LEU 148 N 5.62 -0.13 -7.85 1.79 6.46 -1.74 -1.93 115.31 117.53 1wmk h LEU 148 Ca -0.38 -0.43 -0.31 0.00 -0.12 0.00 0.00 57.88 56.64 1wmk h LEU 148 Cb 1.15 0.03 -0.29 0.00 -0.73 0.00 0.00 40.66 40.83 1wmk h LEU 148 CO 0.48 0.47 -0.75 -0.62 -0.62 0.00 0.00 178.44 177.40 1wmk s ASP 149 N -5.60 0.50 0.25 1.25 2.15 -1.26 -3.70 116.67 110.26 1wmk s ASP 149 Ca -0.13 -0.07 0.21 0.00 0.43 0.00 0.00 52.55 52.99 1wmk s ASP 149 Cb 0.00 -0.07 0.08 0.00 -0.30 0.00 0.00 42.92 42.62 1wmk s ASP 149 CO 0.49 0.04 1.21 0.50 -0.17 0.00 0.00 175.17 177.24 1wmk h LYS 150 N 6.14 0.00 0.00 4.34 3.64 -1.84 -3.38 116.57 125.47 1wmk h LYS 150 Ca -0.28 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.94 1wmk h LYS 150 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1wmk h LYS 150 CO 0.50 0.10 -0.76 -0.91 -2.27 0.00 0.00 179.45 176.11 1wmk h ASN 151 N 0.00 0.00 -3.91 4.20 2.35 -1.96 -3.46 115.58 112.79 1wmk h ASN 151 Ca -0.03 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.19 1wmk h ASN 151 Cb 1.14 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.59 1wmk h ASN 151 CO 0.01 0.76 0.68 -0.63 -1.65 0.00 0.00 177.43 176.61 1wmk s ILE 152 N -3.17 2.46 0.16 2.81 1.01 -1.26 -4.94 121.20 118.28 1wmk s ILE 152 Ca 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.88 1wmk s ILE 152 Cb 0.11 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.35 1wmk s ILE 152 CO 0.78 0.10 1.61 1.55 0.00 0.00 0.00 174.94 178.98 1wmk h PRO 153 N 3.12 -0.24 -4.67 2.79 0.13 -1.96 -3.33 132.00 127.84 1wmk h PRO 153 Ca -0.50 0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1wmk h PRO 153 Cb 1.23 0.05 -0.36 0.00 0.13 0.00 0.00 31.00 32.06 1wmk h PRO 153 CO 0.64 -0.16 -0.67 0.42 -0.23 0.00 0.00 178.00 178.00 1wmk s ILE 154 N -6.04 2.76 0.79 -3.56 1.01 -1.26 -5.12 121.20 109.78 1wmk s ILE 154 Ca -0.15 -1.90 -0.12 0.00 0.00 0.00 0.00 60.65 58.48 1wmk s ILE 154 Cb 0.13 -2.81 0.06 0.00 0.01 0.00 0.00 42.46 39.85 1wmk s ILE 154 CO 0.68 -0.42 1.14 -2.84 0.00 0.00 0.00 174.94 173.51 1wmk s PRO 155 N 1.09 2.18 0.05 2.79 0.02 -1.25 -5.05 135.00 134.83 1wmk s PRO 155 Ca 0.03 0.27 -0.18 0.00 0.02 0.00 0.00 61.00 61.14 1wmk s PRO 155 Cb -0.20 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1wmk s PRO 155 CO -0.05 -1.48 0.52 -1.58 -0.33 0.00 0.00 177.00 174.09 1wmk s HIS 156 N -3.46 3.79 -0.17 6.54 2.46 -1.26 -5.02 115.29 118.17 1wmk s HIS 156 Ca 0.61 1.20 -0.07 0.00 0.47 0.00 0.00 55.06 57.26 1wmk s HIS 156 Cb -0.12 -2.44 -0.04 0.00 -0.13 0.00 0.00 32.58 29.85 1wmk s HIS 156 CO 0.51 0.60 0.07 0.42 -2.47 0.00 0.00 174.74 173.87 1wmk s ILE 157 N -1.10 4.87 -0.00 0.89 1.01 -1.26 -2.18 121.20 123.43 1wmk s ILE 157 Ca 0.27 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1wmk s ILE 157 Cb -0.19 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1wmk s ILE 157 CO 0.17 0.49 -0.23 -0.54 0.00 0.00 0.00 174.94 174.84 1wmk s LYS 158 N 0.06 1.80 -0.15 2.79 -0.14 0.18 -4.44 119.74 119.84 1wmk s LYS 158 Ca 0.06 -0.86 -0.06 0.00 -1.36 0.00 0.00 55.97 53.75 1wmk s LYS 158 Cb -0.12 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1wmk s LYS 158 CO 0.01 0.48 0.04 -0.51 -0.76 0.00 0.00 175.35 174.61 1wmk s LEU 159 N -0.69 3.76 0.42 3.17 1.43 -1.09 -0.44 118.68 125.24 1wmk s LEU 159 Ca 0.09 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1wmk s LEU 159 Cb -0.09 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1wmk s LEU 159 CO -0.00 0.25 0.08 0.27 0.23 0.00 0.00 176.35 177.18 1wmk s ILE 160 N -0.09 0.92 -0.51 -0.59 -4.36 -1.06 -1.97 121.20 113.54 1wmk s ILE 160 Ca 0.06 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.30 1wmk s ILE 160 Cb -0.12 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.18 1wmk s ILE 160 CO 0.01 0.00 0.63 -0.67 0.24 0.00 0.00 174.94 175.15 1wmk n ASP 161 N -1.16 -7.60 -1.49 4.36 -0.08 -1.26 -4.92 116.55 104.39 1wmk n ASP 161 Ca -0.08 0.30 0.01 0.00 -1.51 0.00 0.00 54.79 53.50 1wmk n ASP 161 Cb 0.66 -4.92 0.24 0.00 2.34 0.00 0.00 41.12 39.44 1wmk n ASP 161 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1wmk n PHE 162 N -0.67 1.49 -0.26 -0.67 3.01 -1.26 -4.37 117.46 114.74 1wmk n PHE 162 Ca 0.06 -0.65 0.05 0.00 1.01 0.00 0.00 57.45 57.92 1wmk n PHE 162 Cb 0.50 -0.44 0.28 0.00 -0.01 0.00 0.00 39.48 39.81 1wmk n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1wmk h GLY 163 N 3.92 1.19 -4.41 1.37 0.00 -1.92 -2.65 103.07 100.57 1wmk h GLY 163 Ca 0.08 -0.37 -0.70 0.00 0.00 0.00 0.00 47.33 46.34 1wmk h GLY 163 CO 0.40 0.27 0.73 1.04 0.00 0.00 0.00 176.54 178.98 1wmk n LEU 164 N -4.49 7.25 -4.58 3.11 4.32 -1.26 -4.87 117.00 116.49 1wmk n LEU 164 Ca 0.13 -4.60 -0.29 0.00 -0.02 0.00 0.00 56.01 51.23 1wmk n LEU 164 Cb 0.21 -0.94 -0.10 0.00 -1.62 0.00 0.00 43.42 40.98 1wmk n LEU 164 CO 0.33 1.68 -0.41 0.00 -1.22 0.00 0.00 177.39 177.77 1wmk s ALA 165 N -3.89 2.96 -0.16 -1.18 0.00 -1.00 -1.89 121.76 116.60 1wmk s ALA 165 Ca 0.58 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 1wmk s ALA 165 Cb 0.47 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1wmk s ALA 165 CO -0.18 0.59 0.39 -1.58 0.00 0.00 0.00 175.76 174.98 1wmk s HIS 166 N -1.36 -0.57 -0.22 0.00 2.46 -1.07 -4.85 115.29 109.69 1wmk s HIS 166 Ca 0.22 1.23 -0.29 0.00 0.47 0.00 0.00 55.06 56.69 1wmk s HIS 166 Cb -0.10 0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 32.56 1wmk s HIS 166 CO 0.14 -0.33 1.53 -1.21 -2.47 0.00 0.00 174.74 172.41 1wmk s GLU 167 N 1.35 3.89 -0.07 2.88 2.02 -1.26 -2.91 118.70 124.59 1wmk s GLU 167 Ca -0.09 1.63 -0.20 0.00 0.02 0.00 0.00 54.97 56.32 1wmk s GLU 167 Cb -0.08 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 1wmk s GLU 167 CO -0.12 -1.17 0.57 0.42 0.02 0.00 0.00 175.26 174.97 1wmk s ILE 168 N 4.80 5.08 0.35 -1.63 -1.09 -0.80 -5.04 121.20 122.86 1wmk s ILE 168 Ca 0.67 1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 60.23 1wmk s ILE 168 Cb -0.24 -3.90 0.07 0.00 -1.58 0.00 0.00 42.46 36.81 1wmk s ILE 168 CO 0.27 0.34 0.48 -0.62 -1.23 0.00 0.00 174.94 174.17 1wmk n GLU 169 N 3.41 0.07 -0.10 2.79 -0.58 -1.26 -4.90 120.64 120.06 1wmk n GLU 169 Ca -0.06 -1.12 -0.16 0.00 -0.42 0.00 0.00 57.16 55.40 1wmk n GLU 169 Cb 0.51 -0.37 -0.06 0.00 -0.57 0.00 0.00 31.44 30.95 1wmk n GLU 169 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wmk n ASP 170 N -3.07 1.89 0.02 1.62 10.43 -1.26 -4.65 116.55 121.53 1wmk n ASP 170 Ca 0.07 0.43 -0.11 0.00 2.57 0.00 0.00 54.79 57.75 1wmk n ASP 170 Cb 0.26 -0.84 -0.14 0.00 1.84 0.00 0.00 41.12 42.24 1wmk n ASP 170 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1wmk h GLY 171 N -1.00 0.09 -4.66 0.44 0.00 -2.06 -3.46 103.07 92.42 1wmk h GLY 171 Ca -0.26 -0.24 -0.54 0.00 0.00 0.00 0.00 47.33 46.30 1wmk h GLY 171 CO -0.15 0.21 0.75 0.14 0.00 0.00 0.00 176.54 177.48 1wmk s VAL 172 N -2.62 3.57 0.38 4.60 1.01 -1.26 -5.01 120.40 121.07 1wmk s VAL 172 Ca -0.06 1.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.89 1wmk s VAL 172 Cb 0.08 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1wmk s VAL 172 CO 0.83 0.05 0.74 -0.70 0.00 0.00 0.00 175.10 176.02 1wmk s GLU 173 N 1.63 3.78 -0.28 2.72 2.12 -1.26 -4.52 118.70 122.89 1wmk s GLU 173 Ca 0.63 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 56.38 1wmk s GLU 173 Cb -0.34 -2.42 0.12 0.00 0.26 0.00 0.00 34.13 31.75 1wmk s GLU 173 CO 0.29 0.01 0.23 0.12 -0.54 0.00 0.00 175.26 175.37 1wmk s PHE 174 N -2.31 -0.20 0.04 5.30 5.36 -1.26 -5.05 117.98 119.87 1wmk s PHE 174 Ca 0.51 -0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 1wmk s PHE 174 Cb -0.10 -0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 41.95 1wmk s PHE 174 CO 0.30 -0.85 0.06 0.15 -1.46 0.00 0.00 175.22 173.42 1wmk s LYS 175 N 2.27 2.90 -0.02 10.12 1.02 -1.26 -2.22 119.74 132.55 1wmk s LYS 175 Ca 0.09 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 1wmk s LYS 175 Cb -0.15 -2.75 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 1wmk s LYS 175 CO -0.31 0.60 1.01 1.21 -0.92 0.00 0.00 175.35 176.93 1wmk s ASN 176 N -2.06 -0.26 -0.18 2.83 2.47 -1.26 -5.06 114.94 111.42 1wmk s ASN 176 Ca 0.26 -0.08 -0.08 0.00 0.42 0.00 0.00 52.86 53.38 1wmk s ASN 176 Cb -0.12 0.33 -0.04 0.00 -1.45 0.00 0.00 41.25 39.96 1wmk s ASN 176 CO 0.18 -0.55 0.09 -0.51 -3.72 0.00 0.00 177.10 172.59 1wmk s ILE 177 N -2.93 5.09 0.00 -5.21 -1.16 -1.26 -4.86 121.20 110.87 1wmk s ILE 177 Ca 0.08 0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.29 1wmk s ILE 177 Cb -0.01 -3.30 0.00 0.00 0.61 0.00 0.00 42.46 39.77 1wmk s ILE 177 CO -0.06 0.47 0.00 0.49 -2.81 0.00 0.00 174.94 173.03 1wmk n PHE 178 N 3.36 0.00 0.00 3.50 3.01 -1.26 -5.15 117.46 120.92 1wmk n PHE 178 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1wmk n PHE 178 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1wmk n PHE 178 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wmk n GLY 179 N 4.90 0.94 3.71 1.37 0.00 -1.26 -4.95 105.19 109.90 1wmk n GLY 179 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1wmk n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wmk s THR 180 N 0.00 5.08 0.26 2.61 2.01 -1.26 -4.97 115.64 119.37 1wmk s THR 180 Ca 0.00 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.26 1wmk s THR 180 Cb 0.00 -3.97 0.38 0.00 0.01 0.00 0.00 72.50 68.92 1wmk s THR 180 CO 0.00 0.25 1.34 -2.65 -0.69 0.00 0.00 174.62 172.87 1wmk n PRO 181 N 3.95 -0.07 0.12 4.92 -0.02 -1.26 -2.57 135.00 140.07 1wmk n PRO 181 Ca -0.03 1.31 -0.12 0.00 -2.02 0.00 0.00 63.50 62.64 1wmk n PRO 181 Cb 0.51 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1wmk n PRO 181 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wmk h GLU 182 N 0.00 -0.34 -2.01 -0.52 5.08 -1.96 -3.38 114.58 111.45 1wmk h GLU 182 Ca 0.47 0.02 -0.75 0.00 -1.00 0.00 0.00 59.36 58.11 1wmk h GLU 182 Cb 0.88 0.08 -0.26 0.00 0.50 0.00 0.00 28.75 29.94 1wmk h GLU 182 CO -0.84 0.02 1.02 1.19 -1.00 0.00 0.00 179.01 179.39 1wmk n PHE 183 N -5.06 2.86 -4.77 4.33 3.01 -1.06 -4.91 117.46 111.86 1wmk n PHE 183 Ca -0.09 -2.30 -0.25 0.00 1.01 0.00 0.00 57.45 55.83 1wmk n PHE 183 Cb 0.26 -1.21 -0.15 0.00 -0.01 0.00 0.00 39.48 38.38 1wmk n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wmk s VAL 184 N -4.82 1.50 0.56 -4.37 -7.23 -1.25 -4.67 120.40 100.13 1wmk s VAL 184 Ca 0.52 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 59.58 1wmk s VAL 184 Cb 0.43 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 1wmk s VAL 184 CO -0.40 0.32 1.06 0.00 -0.31 0.00 0.00 175.10 175.77 1wmk s ALA 185 N -0.58 2.78 0.47 1.32 0.00 -1.26 -4.95 121.76 119.54 1wmk s ALA 185 Ca 0.07 0.47 0.19 0.00 0.00 0.00 0.00 51.96 52.69 1wmk s ALA 185 Cb -0.08 -3.24 1.23 0.00 0.00 0.00 0.00 23.12 21.03 1wmk s ALA 185 CO 0.00 -0.67 2.07 -1.35 0.00 0.00 0.00 175.76 175.81 1wmk h PRO 186 N 0.78 0.00 0.00 0.00 0.11 -1.92 -1.35 132.00 129.62 1wmk h PRO 186 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1wmk h PRO 186 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wmk h PRO 186 CO 0.58 0.11 -0.12 1.05 -0.21 0.00 0.00 178.00 179.41 1wmk h GLU 187 N 0.00 0.00 0.10 1.05 4.11 -1.88 -2.51 114.58 115.44 1wmk h GLU 187 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 1wmk h GLU 187 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wmk h GLU 187 CO 0.01 0.12 -1.17 0.82 0.07 0.00 0.00 179.01 178.87 1wmk h ILE 188 N 0.00 1.50 0.16 -1.06 1.08 -1.56 -3.24 117.51 114.39 1wmk h ILE 188 Ca -0.00 -2.97 -0.01 0.00 -0.39 0.00 0.00 64.86 61.49 1wmk h ILE 188 Cb 0.30 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1wmk h ILE 188 CO 0.02 0.87 -0.08 0.58 -0.69 0.00 0.00 178.15 178.85 1wmk h VAL 189 N 0.09 0.98 -4.22 1.67 2.07 -1.17 -3.42 116.25 112.26 1wmk h VAL 189 Ca -0.11 -0.77 -0.49 0.00 0.82 0.00 0.00 66.70 66.15 1wmk h VAL 189 Cb 1.88 1.44 0.05 0.00 -1.52 0.00 0.00 31.29 33.14 1wmk h VAL 189 CO 0.19 0.17 0.38 0.20 0.02 0.00 0.00 177.57 178.53 1wmk s ASN 190 N -5.34 6.08 -1.47 0.57 -0.87 -0.98 -4.92 114.94 108.01 1wmk s ASN 190 Ca -0.15 1.68 -0.13 0.00 -1.57 0.00 0.00 52.86 52.70 1wmk s ASN 190 Cb 0.02 -2.52 0.03 0.00 -0.02 0.00 0.00 41.25 38.77 1wmk s ASN 190 CO 0.60 -0.96 2.34 0.00 -2.57 0.00 0.00 177.10 176.51 1wmk n TYR 191 N -2.02 3.24 -4.33 2.20 9.36 -1.26 -4.80 117.16 119.54 1wmk n TYR 191 Ca 0.08 -2.98 -0.24 0.00 3.32 0.00 0.00 57.90 58.08 1wmk n TYR 191 Cb 0.53 -2.47 -0.08 0.00 -0.63 0.00 0.00 39.34 36.69 1wmk n TYR 191 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1wmk s GLU 192 N 2.61 2.12 0.60 2.98 2.02 -1.22 -4.98 118.70 122.82 1wmk s GLU 192 Ca 0.51 -1.47 -0.20 0.00 0.02 0.00 0.00 54.97 53.83 1wmk s GLU 192 Cb 0.14 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 1wmk s GLU 192 CO -0.08 0.37 1.32 -0.35 0.02 0.00 0.00 175.26 176.54 1wmk n PRO 193 N -0.67 1.38 -4.40 0.39 -0.04 -1.26 -4.58 135.00 125.82 1wmk n PRO 193 Ca -0.07 0.52 -0.22 0.00 -0.04 0.00 0.00 63.50 63.70 1wmk n PRO 193 Cb 0.59 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 1wmk n PRO 193 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wmk s LEU 194 N -3.87 2.54 0.00 1.53 1.43 -0.94 -4.90 118.68 114.47 1wmk s LEU 194 Ca 0.77 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1wmk s LEU 194 Cb -0.40 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1wmk s LEU 194 CO 0.45 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.59 1wmk n GLY 195 N -0.31 3.25 0.26 -3.19 0.00 -1.26 -4.63 105.19 99.31 1wmk n GLY 195 Ca -0.08 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.33 1wmk n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wmk h LEU 196 N 0.00 0.00 -1.70 0.99 3.38 -1.98 -3.11 115.31 112.89 1wmk h LEU 196 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1wmk h LEU 196 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1wmk h LEU 196 CO 0.00 0.09 0.34 -0.33 0.09 0.00 0.00 178.44 178.63 1wmk h GLU 197 N 0.00 0.35 -0.58 1.13 3.07 -1.94 -2.61 114.58 113.99 1wmk h GLU 197 Ca -0.00 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1wmk h GLU 197 Cb 0.60 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.39 1wmk h GLU 197 CO 0.01 0.23 0.31 0.00 -1.40 0.00 0.00 179.01 178.16 1wmk h ALA 198 N 1.74 0.76 -0.59 3.43 0.00 -1.96 -2.70 119.26 119.94 1wmk h ALA 198 Ca 0.23 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1wmk h ALA 198 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1wmk h ALA 198 CO -0.06 -0.02 0.28 -0.44 0.00 0.00 0.00 179.25 179.02 1wmk h ASP 199 N 0.60 0.38 -0.81 0.00 3.45 -1.68 -2.78 116.42 115.57 1wmk h ASP 199 Ca 0.25 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.76 1wmk h ASP 199 Cb 0.14 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 1wmk h ASP 199 CO -0.16 0.24 0.50 0.24 -1.57 0.00 0.00 179.24 178.49 1wmk h MET 200 N 0.52 1.10 -0.08 3.56 2.86 -1.57 -0.35 114.93 120.97 1wmk h MET 200 Ca 0.27 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1wmk h MET 200 Cb 0.23 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 1wmk h MET 200 CO -0.21 0.76 -0.38 2.35 1.06 0.00 0.00 176.91 180.49 1wmk h TRP 201 N 1.12 -1.08 -0.58 -0.22 2.91 -1.43 -2.61 115.95 114.07 1wmk h TRP 201 Ca 0.29 0.04 0.12 0.00 1.13 0.00 0.00 58.89 60.47 1wmk h TRP 201 Cb -0.06 0.49 -0.11 0.00 -0.51 0.00 0.00 29.16 28.97 1wmk h TRP 201 CO 0.00 -0.46 -0.13 0.77 -1.03 0.00 0.00 178.44 177.60 1wmk h SER 202 N -0.49 -0.51 -0.58 2.65 0.02 -1.00 -1.05 113.55 112.59 1wmk h SER 202 Ca 0.07 0.17 0.12 0.00 -0.84 0.00 0.00 61.79 61.31 1wmk h SER 202 Cb 0.61 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 1wmk h SER 202 CO -0.35 -0.18 -0.04 0.40 -1.14 0.00 0.00 176.83 175.52 1wmk h ILE 203 N 0.01 0.50 -0.62 3.27 1.08 -1.05 0.34 117.51 121.03 1wmk h ILE 203 Ca 0.28 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.73 1wmk h ILE 203 Cb 0.43 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1wmk h ILE 203 CO -0.58 0.01 0.41 1.23 -0.69 0.00 0.00 178.15 178.53 1wmk h GLY 204 N 0.08 0.87 1.08 5.37 0.00 -0.89 0.47 103.07 110.05 1wmk h GLY 204 Ca 0.29 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1wmk h GLY 204 CO -0.52 0.30 -0.43 -2.08 0.00 0.00 0.00 176.54 173.81 1wmk h VAL 205 N 0.82 1.28 -0.27 4.60 2.07 -0.70 -1.60 116.25 122.45 1wmk h VAL 205 Ca 0.23 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1wmk h VAL 205 Cb -0.05 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1wmk h VAL 205 CO -0.06 0.53 0.15 0.40 0.02 0.00 0.00 177.57 178.61 1wmk h ILE 206 N 0.61 1.12 -0.16 4.57 1.08 -0.35 -2.15 117.51 122.22 1wmk h ILE 206 Ca 0.03 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1wmk h ILE 206 Cb 1.03 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1wmk h ILE 206 CO 0.10 0.12 0.07 0.74 -0.69 0.00 0.00 178.15 178.49 1wmk h THR 207 N 0.32 0.99 -0.48 -0.27 2.02 -0.91 0.23 112.91 114.81 1wmk h THR 207 Ca 0.09 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.30 1wmk h THR 207 Cb 0.05 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 1wmk h THR 207 CO -0.02 0.03 0.07 0.22 0.37 0.00 0.00 175.52 176.20 1wmk h TYR 208 N 0.16 0.11 -0.15 3.16 5.03 -1.11 0.83 116.97 125.01 1wmk h TYR 208 Ca 0.06 0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.22 1wmk h TYR 208 Cb 0.02 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 1wmk h TYR 208 CO -0.09 -0.03 -0.65 0.82 -1.32 0.00 0.00 178.16 176.89 1wmk h ILE 209 N 0.20 1.33 -0.50 1.81 2.04 -1.10 -2.61 117.51 118.67 1wmk h ILE 209 Ca 0.24 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.12 1wmk h ILE 209 Cb 0.33 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1wmk h ILE 209 CO -0.33 0.60 0.17 0.25 0.00 0.00 0.00 178.15 178.84 1wmk h LEU 210 N 0.40 0.67 0.00 1.44 6.46 0.65 0.31 115.31 125.24 1wmk h LEU 210 Ca -0.01 -0.09 -0.17 0.00 -0.12 0.00 0.00 57.88 57.48 1wmk h LEU 210 Cb 1.22 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1wmk h LEU 210 CO 0.12 0.63 -0.94 -0.07 -0.62 0.00 0.00 178.44 177.56 1wmk h LEU 211 N 0.72 0.00 0.00 2.25 3.38 -0.79 -3.43 115.31 117.44 1wmk h LEU 211 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wmk h LEU 211 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wmk h LEU 211 CO -0.01 0.75 -0.30 -1.54 0.09 0.00 0.00 178.44 177.42 1wmk n SER 212 N -3.20 0.66 0.00 -0.43 3.41 -0.99 -2.49 113.62 110.57 1wmk n SER 212 Ca -0.02 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1wmk n SER 212 Cb 0.86 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1wmk n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmk n GLY 213 N 3.15 1.54 3.78 5.00 0.00 0.11 -2.06 105.19 116.71 1wmk n GLY 213 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1wmk n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmk s ALA 214 N -0.53 3.47 0.32 4.61 0.00 -1.26 -4.78 121.76 123.59 1wmk s ALA 214 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.92 1wmk s ALA 214 Cb 0.00 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 1wmk s ALA 214 CO 0.00 0.26 0.97 0.45 0.00 0.00 0.00 175.76 177.43 1wmk s SER 215 N -0.79 7.31 0.44 0.00 0.15 -1.26 -4.28 113.70 115.26 1wmk s SER 215 Ca 0.34 1.91 0.28 0.00 0.70 0.00 0.00 55.95 59.18 1wmk s SER 215 Cb -0.21 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.40 1wmk s SER 215 CO 0.23 -0.09 1.79 1.55 1.20 0.00 0.00 173.24 177.92 1wmk h PRO 216 N 3.28 0.00 0.00 5.44 0.13 -1.94 -3.37 132.00 135.54 1wmk h PRO 216 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wmk h PRO 216 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wmk h PRO 216 CO 0.65 0.00 -0.66 1.19 -0.23 0.00 0.00 178.00 178.95 1wmk n PHE 217 N -2.91 0.00 -2.26 1.56 3.72 -1.26 -4.38 117.46 111.93 1wmk n PHE 217 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1wmk n PHE 217 Cb 0.39 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 1wmk n PHE 217 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1wmk s LEU 218 N -2.22 4.35 0.00 4.37 0.20 -1.26 -4.39 118.68 119.72 1wmk s LEU 218 Ca 0.00 2.16 0.00 0.00 0.69 0.00 0.00 54.13 56.98 1wmk s LEU 218 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1wmk s LEU 218 CO 0.00 -0.63 0.00 0.61 -0.29 0.00 0.00 176.35 176.04 1wmk n GLY 219 N 3.47 0.13 1.50 7.98 0.00 -1.26 -4.93 105.19 112.08 1wmk n GLY 219 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wmk n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmk n ASP 220 N 0.00 0.22 -4.97 1.61 8.00 -1.26 -5.03 116.55 115.12 1wmk n ASP 220 Ca 0.00 0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 1wmk n ASP 220 Cb 0.00 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1wmk n ASP 220 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wmk s THR 221 N -2.00 5.16 0.22 -3.53 -4.23 -1.26 -5.01 115.64 105.00 1wmk s THR 221 Ca 0.00 -0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 59.53 1wmk s THR 221 Cb 0.00 -3.83 0.18 0.00 1.34 0.00 0.00 72.50 70.18 1wmk s THR 221 CO 0.00 -0.36 1.84 0.50 -0.54 0.00 0.00 174.62 176.06 1wmk h LYS 222 N 1.08 0.84 -0.43 3.99 3.64 -1.99 -1.77 116.57 121.92 1wmk h LYS 222 Ca -0.51 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 58.91 1wmk h LYS 222 Cb 1.23 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.77 1wmk h LYS 222 CO 0.61 0.55 -0.14 0.37 -2.27 0.00 0.00 179.45 178.57 1wmk h GLN 223 N 0.86 -0.04 -0.19 1.90 -0.00 -1.99 -0.92 115.11 114.72 1wmk h GLN 223 Ca 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 1wmk h GLN 223 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 1wmk h GLN 223 CO -0.16 -0.03 0.09 0.93 0.00 0.00 0.00 178.83 179.67 1wmk h GLU 224 N -0.04 0.28 -0.93 1.69 5.08 -1.86 -2.26 114.58 116.54 1wmk h GLU 224 Ca 0.21 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1wmk h GLU 224 Cb 0.36 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1wmk h GLU 224 CO -0.47 0.30 0.59 1.15 -1.00 0.00 0.00 179.01 179.58 1wmk h THR 225 N 0.18 1.03 -0.22 1.13 2.02 -0.77 -0.08 112.91 116.20 1wmk h THR 225 Ca 0.07 -0.36 -0.17 0.00 0.77 0.00 0.00 66.41 66.72 1wmk h THR 225 Cb 0.12 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1wmk h THR 225 CO -0.01 0.19 -0.56 -0.07 0.37 0.00 0.00 175.52 175.45 1wmk h LEU 226 N 1.04 0.76 -0.87 2.58 3.38 -1.03 -2.54 115.31 118.64 1wmk h LEU 226 Ca 0.42 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1wmk h LEU 226 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1wmk h LEU 226 CO -0.19 1.16 -0.45 0.00 0.09 0.00 0.00 178.44 179.05 1wmk h ALA 227 N 0.85 1.04 -0.58 1.53 0.00 -0.84 -2.63 119.26 118.63 1wmk h ALA 227 Ca 0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1wmk h ALA 227 Cb 1.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1wmk h ALA 227 CO 0.11 0.62 0.01 -0.91 0.00 0.00 0.00 179.25 179.08 1wmk h ASN 228 N 0.21 0.97 -0.19 0.00 4.21 -0.87 -0.24 115.58 119.68 1wmk h ASN 228 Ca 0.01 -0.26 -0.05 0.00 1.21 0.00 0.00 56.30 57.21 1wmk h ASN 228 Cb 0.88 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1wmk h ASN 228 CO 0.07 1.02 -0.09 0.40 -1.29 0.00 0.00 177.43 177.54 1wmk h ILE 229 N 0.92 1.31 -0.16 2.81 2.04 -1.29 0.28 117.51 123.42 1wmk h ILE 229 Ca 0.17 -1.15 -0.13 0.00 1.00 0.00 0.00 64.86 64.75 1wmk h ILE 229 Cb 0.52 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1wmk h ILE 229 CO 0.03 0.35 -0.47 0.74 0.00 0.00 0.00 178.15 178.80 1wmk h THR 230 N 0.09 1.32 0.00 -0.27 2.02 -1.46 -2.52 112.91 112.09 1wmk h THR 230 Ca 0.04 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.55 1wmk h THR 230 Cb 0.58 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1wmk h THR 230 CO 0.03 0.51 0.00 0.00 0.37 0.00 0.00 175.52 176.43 1wmk h ALA 231 N 1.19 1.00 -5.74 6.16 0.00 -0.98 -3.49 119.26 117.40 1wmk h ALA 231 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1wmk h ALA 231 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wmk h ALA 231 CO 0.08 0.00 -0.32 0.28 0.00 0.00 0.00 179.25 179.29 1wmk n VAL 232 N -2.71 -8.38 -4.06 0.00 0.31 0.92 -5.01 118.33 99.40 1wmk n VAL 232 Ca 0.04 -0.13 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 1wmk n VAL 232 Cb 0.45 -5.88 -0.15 0.00 -0.91 0.00 0.00 33.84 27.35 1wmk n VAL 232 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1wmk s SER 233 N -2.96 4.29 -0.13 4.52 0.01 -0.83 -5.04 113.70 113.56 1wmk s SER 233 Ca 0.02 -1.25 -0.05 0.00 1.31 0.00 0.00 55.95 55.97 1wmk s SER 233 Cb -0.00 -1.56 0.06 0.00 0.21 0.00 0.00 66.02 64.73 1wmk s SER 233 CO 0.79 -0.16 0.27 -0.72 0.41 0.00 0.00 173.24 173.83 1wmk s TYR 234 N 1.15 -0.43 -0.17 2.43 1.13 -1.26 -4.61 117.35 115.58 1wmk s TYR 234 Ca -0.06 0.97 -0.04 0.00 -1.41 0.00 0.00 57.07 56.54 1wmk s TYR 234 Cb -0.19 0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1wmk s TYR 234 CO -0.06 -0.33 -0.04 -0.51 -2.51 0.00 0.00 175.55 172.10 1wmk s ASP 235 N 2.10 4.64 -1.12 -0.18 1.11 -1.26 -5.04 116.67 116.92 1wmk s ASP 235 Ca -0.02 -0.21 -0.20 0.00 0.18 0.00 0.00 52.55 52.30 1wmk s ASP 235 Cb -0.11 -1.77 0.08 0.00 1.07 0.00 0.00 42.92 42.19 1wmk s ASP 235 CO -0.09 0.12 1.50 -0.36 1.18 0.00 0.00 175.17 177.52 1wmk s PHE 236 N 0.67 2.76 0.29 4.23 0.08 -1.26 -4.99 117.98 119.77 1wmk s PHE 236 Ca -0.02 -1.27 -0.29 0.00 0.12 0.00 0.00 56.93 55.47 1wmk s PHE 236 Cb -0.14 -4.64 -0.10 0.00 -0.57 0.00 0.00 43.02 37.57 1wmk s PHE 236 CO 0.02 -1.80 1.25 -0.51 -0.10 0.00 0.00 175.22 174.09 1wmk s ASP 237 N 4.40 6.93 0.21 1.36 -0.00 -1.26 -4.89 116.67 123.42 1wmk s ASP 237 Ca 0.47 2.52 0.22 0.00 -0.00 0.00 0.00 52.55 55.75 1wmk s ASP 237 Cb 0.00 -2.63 0.92 0.00 -0.00 0.00 0.00 42.92 41.21 1wmk s ASP 237 CO -0.03 -0.43 1.66 -0.62 -0.00 0.00 0.00 175.17 175.75 1wmk n GLU 238 N 1.30 0.16 0.16 8.23 -0.58 -1.26 -1.16 120.64 127.49 1wmk n GLU 238 Ca 0.01 0.40 0.02 0.00 -0.42 0.00 0.00 57.16 57.17 1wmk n GLU 238 Cb 0.43 -1.81 0.25 0.00 -0.57 0.00 0.00 31.44 29.74 1wmk n GLU 238 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1wmk h GLU 239 N 0.00 0.00 0.00 3.49 4.81 -2.01 -3.21 114.58 117.66 1wmk h GLU 239 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1wmk h GLU 239 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1wmk h GLU 239 CO 0.00 0.51 -1.48 1.19 -0.73 0.00 0.00 179.01 178.50 1wmk n PHE 240 N -3.72 0.00 -1.56 0.92 3.01 -1.01 -4.74 117.46 110.36 1wmk n PHE 240 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 1wmk n PHE 240 Cb 0.56 -0.32 0.18 0.00 -0.01 0.00 0.00 39.48 39.89 1wmk n PHE 240 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1wmk n PHE 241 N -2.13 1.04 -0.26 1.38 3.01 -0.30 -4.73 117.46 115.47 1wmk n PHE 241 Ca -0.09 -1.71 -0.04 0.00 1.01 0.00 0.00 57.45 56.62 1wmk n PHE 241 Cb 0.58 -0.44 0.11 0.00 -0.01 0.00 0.00 39.48 39.72 1wmk n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1wmk h SER 242 N 1.17 1.02 -1.15 4.37 4.64 -1.76 -3.21 113.55 118.62 1wmk h SER 242 Ca 0.19 -0.14 -0.54 0.00 -0.47 0.00 0.00 61.79 60.83 1wmk h SER 242 Cb 1.43 -0.26 -0.42 0.00 -0.31 0.00 0.00 62.40 62.84 1wmk h SER 242 CO 0.36 0.89 -0.81 0.00 -0.87 0.00 0.00 176.83 176.40 1wmk n GLN 243 N -4.29 3.26 -4.79 4.77 10.64 -1.26 -5.01 117.38 120.69 1wmk n GLN 243 Ca 0.07 -4.25 -0.31 0.00 -1.83 0.00 0.00 57.00 50.68 1wmk n GLN 243 Cb 0.17 -2.16 -0.13 0.00 -0.86 0.00 0.00 30.24 27.26 1wmk n GLN 243 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1wmk s THR 244 N -4.95 2.65 0.83 -0.39 2.01 -1.22 -3.49 115.64 111.09 1wmk s THR 244 Ca 0.47 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1wmk s THR 244 Cb 0.40 -2.08 0.09 0.00 0.01 0.00 0.00 72.50 70.93 1wmk s THR 244 CO -0.08 0.40 1.09 -0.94 -0.69 0.00 0.00 174.62 174.40 1wmk s SER 245 N -1.24 3.98 0.17 3.53 1.04 -1.26 -4.93 113.70 114.99 1wmk s SER 245 Ca 0.13 1.69 0.26 0.00 0.48 0.00 0.00 55.95 58.51 1wmk s SER 245 Cb -0.10 -2.37 0.91 0.00 0.10 0.00 0.00 66.02 64.56 1wmk s SER 245 CO 0.03 -2.35 1.79 -0.62 0.98 0.00 0.00 173.24 173.08 1wmk n GLU 246 N -3.71 0.19 0.04 4.02 -0.58 -1.26 -2.68 120.64 116.65 1wmk n GLU 246 Ca 0.08 0.20 0.01 0.00 -0.42 0.00 0.00 57.16 57.04 1wmk n GLU 246 Cb 0.54 -1.74 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1wmk n GLU 246 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wmk n LEU 247 N -2.09 0.81 -0.03 -4.62 4.77 -1.26 -2.92 117.00 111.67 1wmk n LEU 247 Ca 0.05 0.35 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1wmk n LEU 247 Cb 0.38 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1wmk n LEU 247 CO 0.28 0.11 0.37 0.00 -1.33 0.00 0.00 177.39 176.81 1wmk h ALA 248 N 1.50 0.22 -0.81 -1.18 0.00 -1.93 -2.34 119.26 114.72 1wmk h ALA 248 Ca -0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1wmk h ALA 248 Cb 1.51 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1wmk h ALA 248 CO 0.04 0.41 0.45 0.87 0.00 0.00 0.00 179.25 181.02 1wmk h LYS 249 N 0.17 1.13 -0.06 0.00 1.57 -1.65 -2.71 116.57 115.01 1wmk h LYS 249 Ca -0.03 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1wmk h LYS 249 Cb 1.16 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1wmk h LYS 249 CO 0.11 0.82 -0.55 0.22 -0.57 0.00 0.00 179.45 179.48 1wmk h ASP 250 N 1.13 0.21 0.00 0.86 1.82 -1.54 -0.35 116.42 118.56 1wmk h ASP 250 Ca 0.29 -0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1wmk h ASP 250 Cb 0.02 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1wmk h ASP 250 CO -0.05 0.71 -0.00 0.15 -1.61 0.00 0.00 179.24 178.45 1wmk h PHE 251 N 0.15 -0.00 -0.65 0.28 3.04 -1.22 -2.35 116.94 116.18 1wmk h PHE 251 Ca 0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 1wmk h PHE 251 Cb 1.01 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 1wmk h PHE 251 CO 0.02 0.23 0.15 0.82 -2.02 0.00 0.00 178.31 177.50 1wmk h ILE 252 N -0.23 1.26 -0.38 1.41 2.04 -1.47 -2.91 117.51 117.23 1wmk h ILE 252 Ca -0.00 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1wmk h ILE 252 Cb 0.23 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1wmk h ILE 252 CO 0.00 0.36 0.14 -0.09 0.00 0.00 0.00 178.15 178.56 1wmk h ARG 253 N 0.97 0.54 0.00 2.37 2.43 -1.00 -2.00 114.38 117.68 1wmk h ARG 253 Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wmk h ARG 253 Cb 0.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1wmk h ARG 253 CO 0.00 0.46 -0.53 1.63 -1.51 0.00 0.00 179.97 180.03 1wmk n LYS 254 N -4.37 0.21 0.07 0.20 5.02 -0.89 -3.73 118.16 114.67 1wmk n LYS 254 Ca 0.02 0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.21 1wmk n LYS 254 Cb 0.15 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.38 1wmk n LYS 254 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wmk h LEU 255 N 0.00 0.40 -7.27 -0.35 3.38 -1.24 -3.19 115.31 107.04 1wmk h LEU 255 Ca 0.00 -0.55 -0.79 0.00 0.09 0.00 0.00 57.88 56.64 1wmk h LEU 255 Cb 0.68 -0.13 -0.25 0.00 0.09 0.00 0.00 40.66 41.05 1wmk h LEU 255 CO 0.00 1.45 0.89 0.18 0.09 0.00 0.00 178.44 181.05 1wmk n LEU 256 N -3.46 5.87 -4.51 1.67 4.77 -0.80 -4.29 117.00 116.26 1wmk n LEU 256 Ca -0.16 -4.95 -0.32 0.00 -0.03 0.00 0.00 56.01 50.55 1wmk n LEU 256 Cb 1.04 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 1wmk n LEU 256 CO 0.51 1.35 -0.44 -0.69 -1.33 0.00 0.00 177.39 176.78 1wmk s VAL 257 N -1.05 3.16 0.16 4.08 1.01 -1.26 -4.93 120.40 121.56 1wmk s VAL 257 Ca 0.34 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1wmk s VAL 257 Cb -0.02 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1wmk s VAL 257 CO -0.00 0.44 1.79 0.50 0.00 0.00 0.00 175.10 177.83 1wmk h LYS 258 N 4.80 0.63 -7.51 2.72 3.64 -1.97 -3.44 116.57 115.44 1wmk h LYS 258 Ca -0.47 -0.06 -0.43 0.00 -1.27 0.00 0.00 60.65 58.41 1wmk h LYS 258 Cb 1.16 -0.13 0.17 0.00 -0.41 0.00 0.00 32.23 33.02 1wmk h LYS 258 CO 0.50 0.47 0.24 -1.21 -2.27 0.00 0.00 179.45 177.19 1wmk s GLU 259 N -5.97 -0.17 -0.16 1.90 2.02 -1.26 -4.85 118.70 110.21 1wmk s GLU 259 Ca -0.13 -0.03 0.07 0.00 0.02 0.00 0.00 54.97 54.90 1wmk s GLU 259 Cb 0.11 -1.72 -0.15 0.00 0.10 0.00 0.00 34.13 32.48 1wmk s GLU 259 CO 0.74 -3.02 -0.06 0.25 0.02 0.00 0.00 175.26 173.20 1wmk n THR 260 N -4.28 1.03 -0.06 3.63 -2.24 -1.26 -4.18 114.28 106.92 1wmk n THR 260 Ca 0.12 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1wmk n THR 260 Cb 0.59 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 1wmk n THR 260 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1wmk h ARG 261 N 0.00 0.30 0.00 -0.78 3.08 -1.98 -3.16 114.38 111.83 1wmk h ARG 261 Ca -0.40 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1wmk h ARG 261 Cb 1.77 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.78 1wmk h ARG 261 CO -0.02 0.44 -0.01 1.17 -1.07 0.00 0.00 179.97 180.48 1wmk n LYS 262 N -4.78 0.07 -2.55 0.04 4.81 -1.26 -4.79 118.16 109.70 1wmk n LYS 262 Ca -0.04 0.06 -0.41 0.00 -0.87 0.00 0.00 58.31 57.05 1wmk n LYS 262 Cb 0.17 -1.58 -0.04 0.00 0.02 0.00 0.00 35.03 33.59 1wmk n LYS 262 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1wmk s ARG 263 N -3.03 4.66 0.39 1.64 3.52 -1.20 -4.97 118.95 119.97 1wmk s ARG 263 Ca 0.13 1.70 -0.28 0.00 -0.13 0.00 0.00 55.73 57.16 1wmk s ARG 263 Cb 0.17 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 30.21 1wmk s ARG 263 CO 0.55 0.21 1.47 -0.51 -0.81 0.00 0.00 175.30 176.21 1wmk s LEU 264 N -0.93 4.29 0.70 -0.88 1.02 -1.21 -4.98 118.68 116.69 1wmk s LEU 264 Ca 0.46 3.02 -0.08 0.00 0.02 0.00 0.00 54.13 57.54 1wmk s LEU 264 Cb -0.30 -3.72 0.04 0.00 0.02 0.00 0.00 46.19 42.24 1wmk s LEU 264 CO 0.37 -0.92 1.03 0.42 0.02 0.00 0.00 176.35 177.27 1wmk s THR 265 N -1.14 2.75 0.30 5.49 -4.23 -1.26 -4.87 115.64 112.68 1wmk s THR 265 Ca 0.54 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1wmk s THR 265 Cb -0.46 -3.19 0.15 0.00 1.34 0.00 0.00 72.50 70.34 1wmk s THR 265 CO 0.62 -0.22 1.83 -0.29 -0.54 0.00 0.00 174.62 176.02 1wmk h ILE 266 N -0.60 1.22 -0.54 2.99 6.09 -1.96 -1.97 117.51 122.75 1wmk h ILE 266 Ca -0.45 -0.85 -0.03 0.00 -1.37 0.00 0.00 64.86 62.16 1wmk h ILE 266 Cb 1.29 0.85 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 1wmk h ILE 266 CO 0.62 0.30 0.23 1.56 -3.07 0.00 0.00 178.15 177.80 1wmk h GLN 267 N 0.65 0.80 0.00 2.19 7.50 -1.98 -2.55 115.11 121.71 1wmk h GLN 267 Ca 0.14 -0.13 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1wmk h GLN 267 Cb 0.35 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.74 1wmk h GLN 267 CO 0.01 0.68 -0.19 0.93 -1.50 0.00 0.00 178.83 178.76 1wmk h GLU 268 N 0.73 0.00 -0.22 1.46 5.08 -1.82 -1.67 114.58 118.14 1wmk h GLU 268 Ca 0.18 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 1wmk h GLU 268 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1wmk h GLU 268 CO -0.02 0.19 -0.60 0.00 -1.00 0.00 0.00 179.01 177.59 1wmk h ALA 269 N 1.81 0.52 -0.03 3.43 0.00 -1.02 -2.80 119.26 121.17 1wmk h ALA 269 Ca -0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1wmk h ALA 269 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wmk h ALA 269 CO 0.03 0.69 -0.75 -0.07 0.00 0.00 0.00 179.25 179.15 1wmk h LEU 270 N 0.55 0.25 -2.59 0.00 3.38 -1.19 -3.06 115.31 112.65 1wmk h LEU 270 Ca -0.00 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1wmk h LEU 270 Cb 1.19 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1wmk h LEU 270 CO 0.12 0.91 0.14 0.54 0.09 0.00 0.00 178.44 180.24 1wmk n ARG 271 N -3.76 2.43 -3.61 1.13 1.74 -0.65 -3.80 116.66 110.14 1wmk n ARG 271 Ca -0.03 -1.56 -0.37 0.00 -0.77 0.00 0.00 57.85 55.11 1wmk n ARG 271 Cb 0.72 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 1wmk n ARG 271 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wmk s HIS 272 N -1.80 3.65 0.24 -1.55 2.46 -1.06 -4.93 115.29 112.30 1wmk s HIS 272 Ca 0.28 0.80 -0.12 0.00 0.47 0.00 0.00 55.06 56.49 1wmk s HIS 272 Cb 0.22 -2.21 0.33 0.00 -0.13 0.00 0.00 32.58 30.80 1wmk s HIS 272 CO 0.07 0.60 1.58 -1.35 -2.47 0.00 0.00 174.74 173.17 1wmk h PRO 273 N 5.14 -0.02 -0.13 2.88 0.11 -1.90 0.22 132.00 138.29 1wmk h PRO 273 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wmk h PRO 273 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1wmk h PRO 273 CO 0.63 -0.01 0.09 2.35 -0.21 0.00 0.00 178.00 180.84 1wmk h TRP 274 N -0.02 0.17 0.00 0.65 7.01 -1.94 -2.07 115.95 119.76 1wmk h TRP 274 Ca 0.38 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.30 1wmk h TRP 274 Cb 0.62 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1wmk h TRP 274 CO -0.69 0.11 -0.64 0.82 -2.79 0.00 0.00 178.44 175.25 1wmk h ILE 275 N 0.18 0.69 -3.40 2.65 1.08 -1.50 -3.45 117.51 113.77 1wmk h ILE 275 Ca 0.05 -1.72 -0.61 0.00 -0.39 0.00 0.00 64.86 62.19 1wmk h ILE 275 Cb -0.01 1.51 -0.40 0.00 -3.07 0.00 0.00 36.82 34.84 1wmk h ILE 275 CO -0.01 0.24 -0.75 -0.89 -0.69 0.00 0.00 178.15 176.05 1wmk s THR 276 N -2.19 1.41 0.85 -0.27 2.01 0.65 -5.02 115.64 113.08 1wmk s THR 276 Ca -0.19 -1.66 -0.12 0.00 0.31 0.00 0.00 61.69 60.03 1wmk s THR 276 Cb 0.02 -2.00 0.10 0.00 0.01 0.00 0.00 72.50 70.64 1wmk s THR 276 CO 0.42 -0.56 1.17 -2.84 -0.69 0.00 0.00 174.62 172.12 1wmk s PRO 277 N 1.36 1.67 -0.20 4.92 0.02 -0.79 -3.84 135.00 138.14 1wmk s PRO 277 Ca 0.08 0.15 0.01 0.00 0.02 0.00 0.00 61.00 61.26 1wmk s PRO 277 Cb -0.18 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1wmk s PRO 277 CO -0.17 -1.81 -0.18 0.28 -0.33 0.00 0.00 177.00 174.80 1wmk n VAL 278 N -3.47 1.13 -4.43 3.83 0.31 -1.26 -5.03 118.33 109.41 1wmk n VAL 278 Ca 0.08 -0.42 -0.23 0.00 -0.01 0.00 0.00 64.34 63.76 1wmk n VAL 278 Cb 0.60 -1.23 -0.08 0.00 -0.91 0.00 0.00 33.84 32.22 1wmk n VAL 278 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1wmk s ASP 279 N -5.97 2.30 0.34 4.52 -4.77 -1.26 -5.06 116.67 106.77 1wmk s ASP 279 Ca -0.27 -1.65 0.15 0.00 -3.30 0.00 0.00 52.55 47.48 1wmk s ASP 279 Cb 0.07 0.46 0.60 0.00 -1.09 0.00 0.00 42.92 42.96 1wmk s ASP 279 CO 0.45 -0.93 1.72 0.78 0.70 0.00 0.00 175.17 177.89 1wmk h ASN 280 N 1.96 0.00 -0.60 2.11 2.35 -1.98 -2.68 115.58 116.75 1wmk h ASN 280 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1wmk h ASN 280 Cb 1.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.60 1wmk h ASN 280 CO 0.53 0.46 0.38 -0.61 -1.65 0.00 0.00 177.43 176.54 1wmk h GLN 281 N 0.00 0.80 0.20 0.81 -0.00 -2.00 0.30 115.11 115.23 1wmk h GLN 281 Ca -0.00 -0.06 -0.29 0.00 -0.00 0.00 0.00 58.65 58.29 1wmk h GLN 281 Cb 0.90 -0.18 0.03 0.00 0.00 0.00 0.00 27.48 28.23 1wmk h GLN 281 CO 0.06 0.55 -1.34 1.96 0.00 0.00 0.00 178.83 180.06 1wmk h GLN 282 N 0.82 0.43 0.00 1.69 4.20 -1.99 -3.35 115.11 116.92 1wmk h GLN 282 Ca 0.22 -0.74 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1wmk h GLN 282 Cb -0.07 0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wmk h GLN 282 CO -0.04 1.35 0.00 0.00 -0.67 0.00 0.00 178.83 179.47 1wmk h ALA 283 N 0.11 1.00 0.24 3.87 0.00 -1.04 -2.52 119.26 120.92 1wmk h ALA 283 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 1wmk h ALA 283 Cb 1.99 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.81 1wmk h ALA 283 CO 0.21 0.00 -1.46 1.98 0.00 0.00 0.00 179.25 179.98 1wmk h MET 284 N 0.00 0.54 -0.15 0.00 1.85 -0.57 -2.76 114.93 113.85 1wmk h MET 284 Ca 0.00 -0.91 -0.02 0.00 -0.61 0.00 0.00 59.70 58.16 1wmk h MET 284 Cb 0.39 0.34 -0.01 0.00 0.43 0.00 0.00 31.60 32.75 1wmk h MET 284 CO 0.00 1.43 -0.00 0.28 -0.40 0.00 0.00 176.91 178.22 1wmk h VAL 285 N 0.16 1.26 -0.78 -5.77 2.07 -1.63 -1.70 116.25 109.86 1wmk h VAL 285 Ca -0.25 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1wmk h VAL 285 Cb 2.15 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 1wmk h VAL 285 CO 0.27 0.25 0.51 -0.09 0.02 0.00 0.00 177.57 178.53 1wmk h ARG 286 N -0.01 0.70 -0.05 1.57 2.43 -1.56 -2.15 114.38 115.31 1wmk h ARG 286 Ca 0.04 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1wmk h ARG 286 Cb 0.38 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1wmk h ARG 286 CO 0.01 0.46 -0.52 -0.09 -1.51 0.00 0.00 179.97 178.32 1wmk h ARG 287 N 0.72 0.44 -0.11 0.20 2.43 -1.37 -2.84 114.38 113.85 1wmk h ARG 287 Ca 0.35 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1wmk h ARG 287 Cb 0.42 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1wmk h ARG 287 CO -0.13 1.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.78 1wmk n GLU 288 N -4.25 1.31 -3.97 0.20 1.02 -0.65 -4.66 120.64 109.63 1wmk n GLU 288 Ca -0.09 -0.47 -0.22 0.00 -0.02 0.00 0.00 57.16 56.35 1wmk n GLU 288 Cb 0.62 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 1wmk n GLU 288 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wmk s SER 289 N -1.25 6.31 0.16 1.62 0.01 -0.84 -5.05 113.70 114.67 1wmk s SER 289 Ca 0.18 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.55 1wmk s SER 289 Cb 0.09 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 1wmk s SER 289 CO 0.14 -0.04 -0.02 0.68 0.41 0.00 0.00 173.24 174.41 1wmk s VAL 290 N -1.93 0.73 -0.08 3.43 -7.23 -1.23 -1.83 120.40 112.26 1wmk s VAL 290 Ca 0.34 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.39 1wmk s VAL 290 Cb -0.09 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1wmk s VAL 290 CO 0.29 -0.55 0.34 -0.69 -0.31 0.00 0.00 175.10 174.18 1wmk s VAL 291 N -3.62 5.20 -0.99 1.32 1.01 -1.21 -4.57 120.40 117.54 1wmk s VAL 291 Ca 0.22 0.66 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 1wmk s VAL 291 Cb 0.06 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1wmk s VAL 291 CO 0.03 0.51 1.86 0.21 0.00 0.00 0.00 175.10 177.70 1wmk s ASN 292 N -0.48 5.41 0.44 3.32 3.04 -1.04 -4.78 114.94 120.86 1wmk s ASN 292 Ca 0.20 -1.07 0.24 0.00 0.04 0.00 0.00 52.86 52.27 1wmk s ASN 292 Cb -0.15 -2.57 0.77 0.00 -1.54 0.00 0.00 41.25 37.77 1wmk s ASN 292 CO 0.09 -2.54 1.76 -0.07 -3.04 0.00 0.00 177.10 173.30 1wmk h LEU 293 N 16.81 0.00 0.42 3.21 -0.00 -1.88 -2.40 115.31 131.46 1wmk h LEU 293 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1wmk h LEU 293 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 1wmk h LEU 293 CO 1.26 0.18 -0.28 -0.33 -0.00 0.00 0.00 178.44 179.27 1wmk h GLU 294 N 0.00 -0.65 -0.25 1.13 5.08 -1.92 -2.04 114.58 115.93 1wmk h GLU 294 Ca -0.00 0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1wmk h GLU 294 Cb 0.84 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1wmk h GLU 294 CO 0.02 -0.43 -0.62 -0.97 -1.00 0.00 0.00 179.01 176.01 1wmk h ASN 295 N -0.68 0.98 -0.36 1.42 -1.24 -1.78 -2.85 115.58 111.07 1wmk h ASN 295 Ca -0.04 -0.56 0.00 0.00 0.71 0.00 0.00 56.30 56.41 1wmk h ASN 295 Cb 0.57 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1wmk h ASN 295 CO 0.03 1.36 0.24 0.15 -1.29 0.00 0.00 177.43 177.92 1wmk h PHE 296 N 0.64 0.45 0.00 0.67 3.57 -0.88 0.46 116.94 121.86 1wmk h PHE 296 Ca -0.01 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1wmk h PHE 296 Cb 1.23 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.83 1wmk h PHE 296 CO 0.08 0.29 -0.52 -0.09 -2.23 0.00 0.00 178.31 175.83 1wmk h ARG 297 N 0.49 0.35 -0.50 1.11 2.43 -1.39 -2.43 114.38 114.44 1wmk h ARG 297 Ca 0.13 -0.38 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1wmk h ARG 297 Cb -0.06 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1wmk h ARG 297 CO -0.03 1.06 0.10 -0.22 -1.51 0.00 0.00 179.97 179.37 1wmk h LYS 298 N -0.20 0.77 0.12 0.20 3.64 -1.19 -1.54 116.57 118.37 1wmk h LYS 298 Ca -0.07 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 1wmk h LYS 298 Cb 1.25 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1wmk h LYS 298 CO 0.10 0.72 -0.78 1.96 -2.27 0.00 0.00 179.45 179.18 1wmk h GLN 299 N 0.74 0.32 0.00 1.90 1.08 -1.01 -3.31 115.11 114.84 1wmk h GLN 299 Ca 0.16 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.79 1wmk h GLN 299 Cb 0.31 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1wmk h GLN 299 CO 0.00 1.22 -0.30 -0.92 -0.95 0.00 0.00 178.83 177.89 1wmk h TYR 300 N -0.31 0.00 -0.79 2.96 3.20 -1.41 -2.86 116.97 117.75 1wmk h TYR 300 Ca -0.13 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1wmk h TYR 300 Cb 1.59 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.82 1wmk h TYR 300 CO 0.19 0.30 0.41 0.28 -1.64 0.00 0.00 178.16 177.69 1wmk h VAL 301 N 0.00 1.24 0.00 1.81 2.07 -1.36 -2.75 116.25 117.26 1wmk h VAL 301 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1wmk h VAL 301 Cb 0.66 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1wmk h VAL 301 CO 0.04 0.28 0.00 0.54 0.02 0.00 0.00 177.57 178.45 1wmk n ARG 302 N -4.33 0.54 -1.44 1.57 1.74 -1.08 -3.15 116.66 110.51 1wmk n ARG 302 Ca 0.08 0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 1wmk n ARG 302 Cb 0.12 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1wmk n ARG 302 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wmk n ARG 303 N -1.10 2.64 0.00 5.56 1.74 -1.04 -5.15 116.66 119.32 1wmk n ARG 303 Ca 0.14 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 1wmk n ARG 303 Cb 0.10 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 1wmk n ARG 303 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65