#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 3.73 0.04 3.49 0.04 -1.26 -4.94 135.00 136.11 1wmk s PRO 3 Ca 0.00 -1.64 -0.02 0.00 0.04 0.00 0.00 61.00 59.38 1wmk s PRO 3 Cb 0.00 -5.25 -0.03 0.00 0.04 0.00 0.00 34.50 29.26 1wmk s PRO 3 CO 0.00 -2.06 0.01 -0.06 0.04 0.00 0.00 177.00 174.93 1wmk s PHE 4 N 3.85 0.34 -0.14 0.56 0.08 -1.26 -5.11 117.98 116.29 1wmk s PHE 4 Ca 0.44 -0.74 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 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 -0.32 0.14 0.15 -0.10 0.00 0.00 175.22 175.03 1wmk s LYS 5 N -2.81 3.67 -0.54 0.44 1.02 -1.26 -5.01 119.74 115.25 1wmk s LYS 5 Ca -0.03 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1wmk s LYS 5 Cb -0.00 -3.26 0.46 0.00 -0.52 0.00 0.00 37.83 34.51 1wmk s LYS 5 CO -0.06 0.63 1.77 0.94 -0.92 0.00 0.00 175.35 177.71 1wmk n GLN 6 N 2.46 2.95 -4.32 1.68 -0.06 -1.26 -3.90 117.38 114.92 1wmk n GLN 6 Ca -0.19 -3.55 -0.31 0.00 -2.00 0.00 0.00 57.00 50.95 1wmk n GLN 6 Cb 0.54 -2.28 -0.10 0.00 -4.06 0.00 0.00 30.24 24.35 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 -3.74 2.37 0.09 3.69 1.11 -1.26 -5.09 119.66 116.83 1wmk s GLN 7 Ca 0.60 -0.87 -0.31 0.00 0.01 0.00 0.00 55.36 54.80 1wmk s GLN 7 Cb 0.48 -2.42 -0.08 0.00 -1.01 0.00 0.00 33.01 29.98 1wmk s GLN 7 CO 0.01 0.55 1.44 0.15 0.01 0.00 0.00 175.29 177.45 1wmk s LYS 8 N -1.87 4.29 0.47 2.91 1.02 -1.26 -4.76 119.74 120.53 1wmk s LYS 8 Ca 0.20 2.10 0.29 0.00 0.02 0.00 0.00 55.97 58.58 1wmk s LYS 8 Cb -0.11 -3.35 1.01 0.00 -0.52 0.00 0.00 37.83 34.85 1wmk s LYS 8 CO 0.12 -0.52 1.84 -0.24 -0.92 0.00 0.00 175.35 175.63 1wmk h VAL 9 N 4.45 0.00 0.00 3.17 3.04 -1.95 -2.92 116.25 122.04 1wmk h VAL 9 Ca -0.41 -0.62 -0.13 0.00 -1.01 0.00 0.00 66.70 64.53 1wmk h VAL 9 Cb 1.20 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.05 1wmk h VAL 9 CO 0.88 0.00 -0.63 -0.33 -1.01 0.00 0.00 177.57 176.48 1wmk h GLU 10 N 0.00 0.00 0.00 4.17 3.07 -1.91 -2.03 114.58 117.88 1wmk h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wmk h GLU 10 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1wmk h GLU 10 CO 0.00 0.63 0.00 -0.44 -1.40 0.00 0.00 179.01 177.80 1wmk h ASP 11 N 0.00 0.00 0.00 1.42 3.32 -1.92 -3.33 116.42 115.92 1wmk h ASP 11 Ca -0.01 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 1wmk h ASP 11 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 1wmk h ASP 11 CO 0.08 0.00 -1.82 0.49 -1.72 0.00 0.00 179.24 176.27 1wmk n PHE 12 N -3.06 0.00 -4.52 4.55 3.01 -1.19 -4.95 117.46 111.31 1wmk n PHE 12 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.25 1wmk n PHE 12 Cb 0.35 -0.59 -0.16 0.00 -0.01 0.00 0.00 39.48 39.07 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 -2.29 1.25 -0.33 1.38 2.02 -0.77 -1.03 117.35 117.59 1wmk s TYR 13 Ca -0.07 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.04 1wmk s TYR 13 Cb 0.04 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1wmk s TYR 13 CO 0.48 -0.19 0.60 -0.51 -1.57 0.00 0.00 175.55 174.37 1wmk s ASP 14 N 0.43 6.44 0.37 2.29 1.01 0.53 -4.43 116.67 123.31 1wmk s ASP 14 Ca -0.09 0.26 -0.19 0.00 0.71 0.00 0.00 52.55 53.25 1wmk s ASP 14 Cb -0.13 -2.32 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1wmk s ASP 14 CO 0.02 -0.51 0.85 -0.63 0.21 0.00 0.00 175.17 175.11 1wmk s ILE 15 N 2.59 4.51 0.00 0.77 1.01 -1.26 -1.71 121.20 127.11 1wmk s ILE 15 Ca 0.24 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1wmk s ILE 15 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1wmk s ILE 15 CO 0.13 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1wmk n GLY 16 N -0.40 4.79 3.75 6.18 0.00 -0.68 -4.97 105.19 113.87 1wmk n GLY 16 Ca 0.05 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 3.71 4.18 -0.61 1.61 2.12 -1.21 -4.67 118.70 123.83 1wmk s GLU 17 Ca 0.00 2.47 -0.28 0.00 0.36 0.00 0.00 54.97 57.53 1wmk s GLU 17 Cb 0.00 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.34 1wmk s GLU 17 CO 0.00 -0.56 1.41 -2.00 -0.54 0.00 0.00 175.26 173.56 1wmk s GLU 18 N -0.29 3.22 0.01 4.30 2.12 -1.26 0.49 118.70 127.30 1wmk s GLU 18 Ca 0.63 0.28 -0.25 0.00 0.36 0.00 0.00 54.97 55.99 1wmk s GLU 18 Cb -0.46 -4.15 -0.18 0.00 0.26 0.00 0.00 34.13 29.59 1wmk s GLU 18 CO 0.45 -2.05 1.41 1.25 -0.54 0.00 0.00 175.26 175.78 1wmk h LEU 19 N 13.31 0.02 -6.16 2.70 5.85 -1.64 -3.46 115.31 125.92 1wmk h LEU 19 Ca -0.27 -0.35 0.24 0.00 0.84 0.00 0.00 57.88 58.34 1wmk h LEU 19 Cb 1.09 -0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.86 1wmk h LEU 19 CO 1.21 0.36 0.37 -0.83 -0.34 0.00 0.00 178.44 179.20 1wmk s GLY 20 N -2.90 0.03 0.03 3.75 0.00 -1.16 -5.08 107.32 101.99 1wmk s GLY 20 Ca -0.15 3.32 -0.19 0.00 0.00 0.00 0.00 44.72 47.70 1wmk s GLY 20 CO 0.67 3.47 0.54 -1.35 0.00 0.00 0.00 173.10 176.43 1wmk s SER 21 N 2.39 6.97 0.00 1.64 1.04 -1.26 -3.48 113.70 121.00 1wmk s SER 21 Ca -0.02 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1wmk s SER 21 Cb -0.04 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1wmk s SER 21 CO -0.15 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wmk n GLY 22 N 2.03 0.97 1.27 7.32 0.00 -0.45 -4.96 105.19 111.37 1wmk n GLY 22 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.07 1.61 6.02 -1.26 -4.82 117.38 118.86 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 -0.37 0.14 0.00 1.02 0.00 0.00 30.24 31.03 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 -3.07 0.18 -3.82 1.08 3.72 -1.26 -4.94 117.46 109.35 1wmk n PHE 24 Ca 0.00 -0.09 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 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 -1.78 -0.51 -0.14 4.37 0.00 -1.26 -2.57 121.76 119.86 1wmk s ALA 25 Ca 0.31 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1wmk s ALA 25 Cb 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1wmk s ALA 25 CO 0.30 -0.20 -0.22 0.42 0.00 0.00 0.00 175.76 176.06 1wmk s ILE 26 N -1.05 2.07 -0.23 0.00 1.09 -0.78 -1.34 121.20 120.96 1wmk s ILE 26 Ca -0.11 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.36 1wmk s ILE 26 Cb -0.06 -1.83 -0.05 0.00 -1.06 0.00 0.00 42.46 39.47 1wmk s ILE 26 CO 0.02 0.55 0.15 -0.69 -0.10 0.00 0.00 174.94 174.87 1wmk s VAL 27 N 0.84 5.29 -0.08 2.92 1.01 -1.23 -1.64 120.40 127.52 1wmk s VAL 27 Ca -0.06 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1wmk s VAL 27 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1wmk s VAL 27 CO -0.02 0.36 -0.14 -0.54 0.00 0.00 0.00 175.10 174.76 1wmk s LYS 28 N 0.95 1.97 -0.32 2.72 1.02 -0.17 -1.62 119.74 124.30 1wmk s LYS 28 Ca 0.07 -0.50 -0.27 0.00 0.02 0.00 0.00 55.97 55.29 1wmk s LYS 28 Cb -0.13 -1.61 -0.05 0.00 -0.52 0.00 0.00 37.83 35.52 1wmk s LYS 28 CO 0.03 0.03 2.23 0.21 -0.92 0.00 0.00 175.35 176.94 1wmk s LYS 29 N 0.68 2.83 0.00 1.68 2.20 0.18 -1.10 119.74 126.21 1wmk s LYS 29 Ca -0.14 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 1wmk s LYS 29 Cb -0.16 -4.42 0.00 0.00 -1.51 0.00 0.00 37.83 31.74 1wmk s LYS 29 CO 0.04 -2.45 0.00 0.00 -0.36 0.00 0.00 175.35 172.58 1wmk s ARG 31 N -1.45 0.85 0.27 0.00 3.52 -0.69 -3.24 118.95 118.21 1wmk s ARG 31 Ca 0.00 0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 56.17 1wmk s ARG 31 Cb 0.00 0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 33.71 1wmk s ARG 31 CO 0.00 -0.13 0.96 -2.00 -0.81 0.00 0.00 175.30 173.32 1wmk s GLU 32 N 0.11 4.73 0.01 5.12 2.12 -1.11 -0.34 118.70 129.34 1wmk s GLU 32 Ca -0.01 1.47 -0.20 0.00 0.36 0.00 0.00 54.97 56.58 1wmk s GLU 32 Cb -0.04 -3.10 -0.20 0.00 0.26 0.00 0.00 34.13 31.05 1wmk s GLU 32 CO 0.02 0.40 1.17 0.87 -0.54 0.00 0.00 175.26 177.18 1wmk h LYS 33 N 3.76 0.37 -0.28 4.30 1.57 -1.45 -2.13 116.57 122.70 1wmk h LYS 33 Ca -0.46 -0.31 -0.18 0.00 -1.87 0.00 0.00 60.65 57.83 1wmk h LYS 33 Cb 1.20 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1wmk h LYS 33 CO 0.67 0.96 -0.54 0.66 -0.57 0.00 0.00 179.45 180.63 1wmk h SER 34 N -0.12 0.93 0.00 0.86 4.64 -1.94 -3.35 113.55 114.58 1wmk h SER 34 Ca -0.03 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1wmk h SER 34 Cb 1.04 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1wmk h SER 34 CO 0.08 1.29 -1.61 0.35 -0.87 0.00 0.00 176.83 176.07 1wmk n THR 35 N -4.00 0.00 -1.20 2.95 -2.24 -1.26 -5.00 114.28 103.52 1wmk n THR 35 Ca -0.04 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1wmk n THR 35 Cb 0.62 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.66 0.89 3.73 3.38 0.00 -0.80 -4.99 105.19 109.05 1wmk n GLY 36 Ca -0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.60 4.44 -0.08 0.99 1.43 -1.26 -4.78 118.68 117.82 1wmk s LEU 37 Ca 0.00 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 1wmk s LEU 37 Cb 0.00 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1wmk s LEU 37 CO 0.00 -0.10 1.65 -1.61 0.23 0.00 0.00 176.35 176.52 1wmk s GLU 38 N 0.31 4.12 0.14 1.70 0.41 -1.26 -2.74 118.70 121.39 1wmk s GLU 38 Ca 0.46 2.11 0.01 0.00 -0.41 0.00 0.00 54.97 57.14 1wmk s GLU 38 Cb -0.22 -3.99 -0.04 0.00 -1.78 0.00 0.00 34.13 28.10 1wmk s GLU 38 CO 0.27 -0.92 -0.00 0.71 -0.49 0.00 0.00 175.26 174.83 1wmk s TYR 39 N 4.23 1.04 0.11 1.61 2.02 -1.20 -4.54 117.35 120.62 1wmk s TYR 39 Ca 0.73 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 1wmk s TYR 39 Cb -0.32 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 1wmk s TYR 39 CO 0.29 -0.26 0.23 0.00 -1.57 0.00 0.00 175.55 174.24 1wmk s ALA 40 N -3.74 3.94 -0.17 3.71 0.00 -0.84 -0.83 121.76 123.84 1wmk s ALA 40 Ca 0.20 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1wmk s ALA 40 Cb 0.06 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.48 1wmk s ALA 40 CO 0.01 0.67 0.07 0.00 0.00 0.00 0.00 175.76 176.51 1wmk s ALA 41 N -1.63 0.57 -0.70 0.00 0.00 -0.26 -1.23 121.76 118.51 1wmk s ALA 41 Ca 0.34 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 1wmk s ALA 41 Cb -0.12 -1.05 0.16 0.00 0.00 0.00 0.00 23.12 22.11 1wmk s ALA 41 CO 0.28 -1.14 0.70 0.21 0.00 0.00 0.00 175.76 175.81 1wmk s LYS 42 N 2.07 3.30 -0.62 0.00 2.20 0.39 -1.00 119.74 126.08 1wmk s LYS 42 Ca 0.01 -1.96 -0.27 0.00 -0.36 0.00 0.00 55.97 53.39 1wmk s LYS 42 Cb -0.16 -4.40 -0.00 0.00 -1.51 0.00 0.00 37.83 31.76 1wmk s LYS 42 CO -0.08 -1.39 1.62 -0.06 -0.36 0.00 0.00 175.35 175.08 1wmk s PHE 43 N 1.27 1.95 -0.22 4.03 0.40 -0.65 -1.57 117.98 123.19 1wmk s PHE 43 Ca 0.13 0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 56.83 1wmk s PHE 43 Cb -0.19 -4.29 -0.04 0.00 0.51 0.00 0.00 43.02 39.01 1wmk s PHE 43 CO -0.02 -2.22 0.30 0.42 0.70 0.00 0.00 175.22 174.39 1wmk s ILE 44 N 7.53 5.27 -0.04 0.64 1.01 -0.77 -1.86 121.20 132.99 1wmk s ILE 44 Ca 0.57 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 1wmk s ILE 44 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1wmk s ILE 44 CO 0.21 0.29 1.34 -0.75 0.00 0.00 0.00 174.94 176.03 1wmk s LYS 45 N 1.21 4.29 0.48 2.79 2.47 -1.06 -0.83 119.74 129.09 1wmk s LYS 45 Ca 0.14 1.86 -0.19 0.00 -1.56 0.00 0.00 55.97 56.22 1wmk s LYS 45 Cb -0.14 -3.61 -0.09 0.00 -1.46 0.00 0.00 37.83 32.53 1wmk s LYS 45 CO 0.06 -0.57 0.98 0.21 0.16 0.00 0.00 175.35 176.20 1wmk s LYS 46 N 2.55 4.02 0.47 4.03 2.20 -0.78 -1.63 119.74 130.60 1wmk s LYS 46 Ca 0.61 1.10 -0.09 0.00 -0.36 0.00 0.00 55.97 57.22 1wmk s LYS 46 Cb -0.28 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 1wmk s LYS 46 CO 0.24 -0.21 0.83 0.50 -0.36 0.00 0.00 175.35 176.35 1wmk s ARG 47 N -3.56 3.69 0.00 4.03 3.52 -1.05 -4.47 118.95 121.11 1wmk s ARG 47 Ca 0.62 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1wmk s ARG 47 Cb -0.11 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 1wmk s ARG 47 CO 0.22 -0.18 0.13 1.04 -0.81 0.00 0.00 175.30 175.70 1wmk n GLN 48 N -1.83 0.00 0.00 5.12 1.13 -1.26 -4.97 117.38 115.58 1wmk n GLN 48 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1wmk n GLN 48 Cb 0.54 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 -0.35 0.00 0.00 1.08 7.64 -1.26 -5.12 113.62 115.60 1wmk n SER 49 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wmk n SER 49 Cb 0.00 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.43 0.00 -1.21 1.43 5.12 -1.26 -4.98 116.66 113.33 1wmk n ARG 50 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1wmk n ARG 50 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 5.83 -1.77 7.54 0.00 -1.26 -4.95 120.51 122.90 1wmk n ALA 51 Ca 0.00 -2.48 -0.40 0.00 0.00 0.00 0.00 53.44 50.56 1wmk n ALA 51 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 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 0.02 7.21 0.21 0.00 0.01 -1.26 -4.95 113.70 114.93 1wmk s SER 52 Ca 0.46 2.32 0.08 0.00 1.31 0.00 0.00 55.95 60.12 1wmk s SER 52 Cb 0.33 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 64.05 1wmk s SER 52 CO -0.11 -0.19 1.47 0.03 0.41 0.00 0.00 173.24 174.85 1wmk h ARG 53 N 3.79 0.03 -5.53 12.44 3.08 -2.04 -3.45 114.38 122.71 1wmk h ARG 53 Ca -0.47 -0.03 -0.64 0.00 0.07 0.00 0.00 59.98 58.90 1wmk h ARG 53 Cb 1.21 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 1wmk h ARG 53 CO 0.67 0.79 -0.55 1.03 -1.07 0.00 0.00 179.97 180.84 1wmk s ARG 54 N -3.27 3.63 0.00 0.04 0.52 -1.26 -5.02 118.95 113.59 1wmk s ARG 54 Ca -0.01 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1wmk s ARG 54 Cb 0.11 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.46 1wmk s ARG 54 CO 0.79 0.50 0.00 0.41 0.02 0.00 0.00 175.30 177.02 1wmk n GLY 55 N 2.84 2.78 3.80 -3.53 0.00 -1.26 -4.24 105.19 105.57 1wmk n GLY 55 Ca -0.18 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.05 4.54 0.73 1.61 1.01 -0.64 -4.62 120.40 120.97 1wmk s VAL 56 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1wmk s VAL 56 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1wmk s VAL 56 CO 0.00 -0.04 1.02 -1.20 0.00 0.00 0.00 175.10 174.88 1wmk n SER 57 N -0.13 0.67 0.16 3.32 7.64 -1.26 -2.54 113.62 121.48 1wmk n SER 57 Ca -0.08 0.67 0.01 0.00 1.01 0.00 0.00 58.87 60.47 1wmk n SER 57 Cb 0.54 -1.43 0.25 0.00 -1.01 0.00 0.00 64.21 62.56 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 -0.27 0.00 0.20 1.43 9.65 -1.98 -1.72 114.38 121.69 1wmk h ARG 58 Ca -0.47 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.14 1wmk h ARG 58 Cb 1.33 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.94 1wmk h ARG 58 CO 0.47 0.51 -1.15 1.49 2.80 0.00 0.00 179.97 184.10 1wmk h GLU 59 N 0.00 0.43 0.00 0.20 4.81 -2.00 -3.30 114.58 114.72 1wmk h GLU 59 Ca -0.01 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 1wmk h GLU 59 Cb 0.93 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1wmk h GLU 59 CO 0.07 1.35 0.00 1.49 -0.73 0.00 0.00 179.01 181.18 1wmk h GLU 60 N -0.11 0.00 0.19 1.92 4.81 -1.91 -2.78 114.58 116.70 1wmk h GLU 60 Ca -0.20 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.72 1wmk h GLU 60 Cb 1.91 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.30 1wmk h GLU 60 CO 0.22 0.00 -1.43 0.97 -0.73 0.00 0.00 179.01 178.04 1wmk h ILE 61 N 0.00 1.31 0.00 2.32 6.09 -1.44 -3.13 117.51 122.66 1wmk h ILE 61 Ca 0.00 -2.83 0.00 0.00 -1.37 0.00 0.00 64.86 60.66 1wmk h ILE 61 Cb 0.74 2.95 0.00 0.00 0.47 0.00 0.00 36.82 40.98 1wmk h ILE 61 CO 0.00 0.85 0.00 -1.84 -3.07 0.00 0.00 178.15 174.09 1wmk n GLU 62 N -3.61 0.29 0.01 2.19 0.28 -1.18 -2.87 120.64 115.75 1wmk n GLU 62 Ca -0.15 0.02 -0.18 0.00 -0.16 0.00 0.00 57.16 56.69 1wmk n GLU 62 Cb 1.07 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.30 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 0.20 -0.42 3.44 2.43 -1.52 -2.82 114.38 115.68 1wmk h ARG 63 Ca 0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1wmk h ARG 63 Cb 0.33 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1wmk h ARG 63 CO 0.00 1.16 0.27 1.49 -1.51 0.00 0.00 179.97 181.38 1wmk h GLU 64 N -0.58 0.55 -0.13 0.20 4.81 -1.49 -2.70 114.58 115.23 1wmk h GLU 64 Ca -0.10 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1wmk h GLU 64 Cb 1.43 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1wmk h GLU 64 CO 0.10 0.38 -0.28 0.28 -0.73 0.00 0.00 179.01 178.75 1wmk h VAL 65 N 0.57 1.37 -0.06 0.32 2.07 -1.65 -2.91 116.25 115.96 1wmk h VAL 65 Ca 0.15 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1wmk h VAL 65 Cb -0.05 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1wmk h VAL 65 CO -0.03 0.46 0.08 -1.28 0.02 0.00 0.00 177.57 176.82 1wmk h SER 66 N 0.03 0.00 0.07 0.57 0.87 -1.22 -0.23 113.55 113.65 1wmk h SER 66 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wmk h SER 66 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1wmk h SER 66 CO 0.06 0.00 -0.04 0.40 -0.53 0.00 0.00 176.83 176.73 1wmk h ILE 67 N 0.00 0.96 -0.04 2.23 1.08 -1.50 -3.30 117.51 116.94 1wmk h ILE 67 Ca 0.03 -1.48 -0.04 0.00 -0.39 0.00 0.00 64.86 62.98 1wmk h ILE 67 Cb 0.20 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1wmk h ILE 67 CO -0.00 0.29 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.52 1wmk h LEU 68 N -0.93 0.06 -0.85 1.44 3.38 -1.11 -0.66 115.31 116.64 1wmk h LEU 68 Ca -0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1wmk h LEU 68 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1wmk h LEU 68 CO 0.02 0.23 -0.29 0.03 0.09 0.00 0.00 178.44 178.52 1wmk h ARG 69 N 0.07 0.52 0.00 1.13 3.08 -1.24 -2.89 114.38 115.04 1wmk h ARG 69 Ca 0.01 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1wmk h ARG 69 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1wmk h ARG 69 CO 0.02 0.76 0.00 1.04 -1.07 0.00 0.00 179.97 180.72 1wmk n GLN 70 N -4.09 0.13 -3.39 0.04 6.02 -0.31 -4.72 117.38 111.05 1wmk n GLN 70 Ca -0.01 0.20 -0.44 0.00 -0.01 0.00 0.00 57.00 56.74 1wmk n GLN 70 Cb 0.44 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 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 -3.10 5.14 -0.38 5.09 1.01 -0.86 -4.99 120.40 122.31 1wmk s VAL 71 Ca 0.10 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1wmk s VAL 71 Cb 0.13 -4.12 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1wmk s VAL 71 CO 0.48 -0.62 0.12 -0.76 0.00 0.00 0.00 175.10 174.32 1wmk s LEU 72 N 1.62 3.98 0.02 3.92 1.43 -1.26 -4.69 118.68 123.69 1wmk s LEU 72 Ca 0.04 -2.28 -0.25 0.00 -1.03 0.00 0.00 54.13 50.61 1wmk s LEU 72 Cb -0.25 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1wmk s LEU 72 CO 0.06 -0.34 0.56 -2.28 0.23 0.00 0.00 176.35 174.57 1wmk s HIS 73 N 0.74 -0.49 0.15 0.29 2.46 -1.26 -5.07 115.29 112.10 1wmk s HIS 73 Ca 0.13 0.66 0.00 0.00 0.47 0.00 0.00 55.06 56.32 1wmk s HIS 73 Cb -0.21 0.36 -0.03 0.00 -0.13 0.00 0.00 32.58 32.58 1wmk s HIS 73 CO -0.09 -0.63 1.36 1.12 -2.47 0.00 0.00 174.74 174.03 1wmk h HIS 74 N 2.87 0.41 -0.01 3.88 2.07 -1.97 -3.29 115.15 119.11 1wmk h HIS 74 Ca -0.30 -0.22 0.00 0.00 -2.85 0.00 0.00 60.37 57.00 1wmk h HIS 74 Cb 1.19 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1wmk h HIS 74 CO 0.37 1.03 -0.27 -1.71 -3.07 0.00 0.00 177.93 174.28 1wmk n ASN 75 N -3.70 0.77 -4.61 3.10 4.05 -1.26 -4.82 115.26 108.80 1wmk n ASN 75 Ca -0.05 -0.65 -0.26 0.00 0.45 0.00 0.00 54.58 54.08 1wmk n ASN 75 Cb 0.81 0.10 -0.09 0.00 1.23 0.00 0.00 39.78 41.82 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 -2.61 2.36 0.70 3.44 -7.23 -1.24 -2.61 120.40 113.21 1wmk s VAL 76 Ca 0.22 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.24 1wmk s VAL 76 Cb 0.19 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.34 1wmk s VAL 76 CO 0.55 -0.15 1.09 -0.51 -0.31 0.00 0.00 175.10 175.77 1wmk s ILE 77 N -2.59 3.51 -0.07 -0.62 2.07 -0.72 -4.70 121.20 118.08 1wmk s ILE 77 Ca 0.35 0.58 0.03 0.00 -1.41 0.00 0.00 60.65 60.20 1wmk s ILE 77 Cb 0.03 -3.13 0.01 0.00 0.13 0.00 0.00 42.46 39.50 1wmk s ILE 77 CO 0.19 -0.55 -0.15 0.42 -1.91 0.00 0.00 174.94 172.94 1wmk s THR 78 N -2.70 1.34 -0.14 4.00 -4.23 -1.26 -4.81 115.64 107.84 1wmk s THR 78 Ca 0.63 -0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 1wmk s THR 78 Cb -0.17 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 1wmk s THR 78 CO 0.49 0.40 1.12 -0.22 -0.54 0.00 0.00 174.62 175.86 1wmk s LEU 79 N 0.60 4.20 -0.11 4.79 2.96 -1.26 -1.62 118.68 128.24 1wmk s LEU 79 Ca -0.15 1.59 -0.03 0.00 -0.22 0.00 0.00 54.13 55.32 1wmk s LEU 79 Cb -0.16 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1wmk s LEU 79 CO 0.05 -0.61 -0.05 -0.74 -1.32 0.00 0.00 176.35 173.68 1wmk h HIS 80 N 7.51 0.00 -3.65 5.38 -0.00 -0.69 -3.48 115.15 120.22 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 28.36 1wmk h HIS 80 CO 0.75 0.00 -0.40 0.34 -0.00 0.00 0.00 177.93 178.62 1wmk s ASP 81 N -5.52 0.07 -0.15 3.26 3.68 -0.60 -5.01 116.67 112.41 1wmk s ASP 81 Ca -0.04 -0.47 0.01 0.00 2.13 0.00 0.00 52.55 54.19 1wmk s ASP 81 Cb 0.01 0.30 0.02 0.00 -1.45 0.00 0.00 42.92 41.79 1wmk s ASP 81 CO 0.06 -0.61 -0.19 -0.69 0.13 0.00 0.00 175.17 173.88 1wmk s VAL 82 N -2.96 1.88 0.10 1.11 1.01 -1.26 0.29 120.40 120.57 1wmk s VAL 82 Ca -0.02 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1wmk s VAL 82 Cb 0.01 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1wmk s VAL 82 CO -0.06 0.51 -0.26 -0.31 0.00 0.00 0.00 175.10 174.98 1wmk s TYR 83 N 1.16 2.33 0.03 5.22 1.51 -0.58 -4.29 117.35 122.74 1wmk s TYR 83 Ca 0.00 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1wmk s TYR 83 Cb -0.14 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1wmk s TYR 83 CO -0.08 0.28 0.13 -1.83 -1.11 0.00 0.00 175.55 172.94 1wmk s GLU 84 N -1.82 0.58 0.05 -0.62 -1.05 -1.25 -1.50 118.70 113.09 1wmk s GLU 84 Ca 0.14 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1wmk s GLU 84 Cb -0.10 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1wmk s GLU 84 CO 0.05 -0.15 0.00 0.27 0.95 0.00 0.00 175.26 176.38 1wmk n ASN 85 N 0.94 0.16 0.03 0.83 6.94 -1.14 -4.69 115.26 118.32 1wmk n ASN 85 Ca -0.20 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 1wmk n ASN 85 Cb 0.58 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 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 -2.79 0.00 0.14 -3.83 0.63 -1.26 -4.97 116.66 104.58 1wmk n ARG 86 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 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 0.76 -2.96 5.15 2.02 -1.97 -3.45 112.91 112.46 1wmk h THR 87 Ca 0.00 -0.57 -0.43 0.00 0.77 0.00 0.00 66.41 66.18 1wmk h THR 87 Cb 0.00 1.07 -0.14 0.00 -1.74 0.00 0.00 68.15 67.33 1wmk h THR 87 CO 0.00 0.12 -0.72 -1.81 0.37 0.00 0.00 175.52 173.47 1wmk s ASP 88 N -5.11 2.43 -0.30 4.18 1.01 -1.26 -1.87 116.67 115.75 1wmk s ASP 88 Ca -0.14 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.08 1wmk s ASP 88 Cb 0.02 -0.11 0.06 0.00 1.01 0.00 0.00 42.92 43.91 1wmk s ASP 88 CO 0.57 -0.22 -0.01 -0.69 0.21 0.00 0.00 175.17 175.03 1wmk s VAL 89 N -3.05 2.71 -0.16 -1.27 1.01 -0.01 -2.90 120.40 116.73 1wmk s VAL 89 Ca 0.22 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 1wmk s VAL 89 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wmk s VAL 89 CO 0.06 -0.19 0.35 0.54 0.00 0.00 0.00 175.10 175.86 1wmk s VAL 90 N 1.16 5.27 -0.26 2.92 0.11 -0.56 -1.84 120.40 127.20 1wmk s VAL 90 Ca -0.03 0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 59.60 1wmk s VAL 90 Cb -0.20 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 30.94 1wmk s VAL 90 CO -0.03 0.35 0.07 -0.76 -3.33 0.00 0.00 175.10 171.41 1wmk s LEU 91 N 0.63 3.51 -0.50 2.54 1.43 -0.61 -1.53 118.68 124.16 1wmk s LEU 91 Ca 0.19 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 1wmk s LEU 91 Cb -0.14 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1wmk s LEU 91 CO 0.06 -0.06 1.06 -0.63 0.23 0.00 0.00 176.35 177.01 1wmk s ILE 92 N 1.60 4.28 0.42 -0.59 1.09 0.15 -0.46 121.20 127.68 1wmk s ILE 92 Ca 0.06 0.93 0.07 0.00 -1.10 0.00 0.00 60.65 60.61 1wmk s ILE 92 Cb -0.15 -4.56 -0.03 0.00 -1.06 0.00 0.00 42.46 36.65 1wmk s ILE 92 CO 0.04 -1.02 0.31 -0.76 -0.10 0.00 0.00 174.94 173.41 1wmk s LEU 93 N 4.26 3.27 -0.15 2.97 1.43 -0.37 0.02 118.68 130.12 1wmk s LEU 93 Ca 0.42 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1wmk s LEU 93 Cb -0.09 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1wmk s LEU 93 CO 0.28 -0.64 1.56 -0.70 0.23 0.00 0.00 176.35 177.08 1wmk s GLU 94 N -4.06 4.02 0.23 1.70 2.12 -0.64 -1.99 118.70 120.08 1wmk s GLU 94 Ca 0.45 1.85 -0.31 0.00 0.36 0.00 0.00 54.97 57.32 1wmk s GLU 94 Cb -0.01 -3.96 -0.11 0.00 0.26 0.00 0.00 34.13 30.31 1wmk s GLU 94 CO 0.26 -1.02 1.60 -1.17 -0.54 0.00 0.00 175.26 174.39 1wmk s LEU 95 N 4.45 4.36 -0.11 2.70 2.96 -1.26 -4.74 118.68 127.03 1wmk s LEU 95 Ca 0.69 2.81 -0.01 0.00 -0.22 0.00 0.00 54.13 57.40 1wmk s LEU 95 Cb -0.27 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.83 1wmk s LEU 95 CO 0.26 -0.88 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.66 1wmk s VAL 96 N 0.58 0.96 -0.40 1.68 1.01 -1.26 -4.95 120.40 118.02 1wmk s VAL 96 Ca 0.67 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1wmk s VAL 96 Cb -0.47 -1.01 0.25 0.00 0.00 0.00 0.00 36.38 35.15 1wmk s VAL 96 CO 0.39 0.33 0.52 -1.54 0.00 0.00 0.00 175.10 174.80 1wmk n SER 97 N 4.96 0.25 -0.62 3.32 3.41 -1.25 -4.87 113.62 118.83 1wmk n SER 97 Ca -0.12 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1wmk n SER 97 Cb 0.50 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.43 0.62 0.89 5.00 0.00 -0.65 -4.71 105.19 107.77 1wmk n GLY 98 Ca 0.21 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.05 -1.79 3.79 -0.02 0.00 -1.26 -4.41 105.19 101.55 1wmk n GLY 99 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.95 2.39 0.11 1.61 2.02 -1.26 -1.60 118.70 120.02 1wmk s GLU 100 Ca 0.00 0.99 -0.18 0.00 0.02 0.00 0.00 54.97 55.80 1wmk s GLU 100 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 1wmk s GLU 100 CO 0.00 -1.50 1.64 1.25 0.02 0.00 0.00 175.26 176.68 1wmk h LEU 101 N -1.01 0.41 -1.84 1.80 5.85 -1.32 -2.78 115.31 116.42 1wmk h LEU 101 Ca -0.45 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 1wmk h LEU 101 Cb 1.23 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1wmk h LEU 101 CO 0.55 0.48 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.73 1wmk h PHE 102 N 0.32 0.00 -0.38 1.25 -1.00 -1.82 -1.14 116.94 114.18 1wmk h PHE 102 Ca 0.10 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.81 1wmk h PHE 102 Cb 0.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1wmk h PHE 102 CO -0.00 0.13 -0.04 0.22 -1.61 0.00 0.00 178.31 177.01 1wmk h ASP 103 N 0.00 0.69 -0.19 2.17 1.82 -1.88 -1.32 116.42 117.71 1wmk h ASP 103 Ca -0.00 -0.34 -0.11 0.00 -0.39 0.00 0.00 57.03 56.20 1wmk h ASP 103 Cb 0.27 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1wmk h ASP 103 CO 0.02 0.86 -0.24 0.15 -1.61 0.00 0.00 179.24 178.42 1wmk h PHE 104 N 0.50 0.73 0.00 0.28 3.04 -1.12 -3.01 116.94 117.36 1wmk h PHE 104 Ca 0.10 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.85 1wmk h PHE 104 Cb 0.53 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1wmk h PHE 104 CO 0.04 0.83 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.92 1wmk h LEU 105 N 0.57 0.00 -0.90 0.59 3.38 -1.16 -2.74 115.31 115.04 1wmk h LEU 105 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1wmk h LEU 105 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1wmk h LEU 105 CO 0.05 0.18 -0.46 0.00 0.09 0.00 0.00 178.44 178.30 1wmk h ALA 106 N 1.82 1.07 -0.34 1.53 0.00 -1.11 -3.11 119.26 119.13 1wmk h ALA 106 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1wmk h ALA 106 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wmk h ALA 106 CO 0.02 0.62 0.04 0.37 0.00 0.00 0.00 179.25 180.30 1wmk h GLN 107 N 0.17 0.58 -6.48 0.00 5.75 -1.43 -3.45 115.11 110.24 1wmk h GLN 107 Ca 0.01 -0.16 -0.61 0.00 -0.15 0.00 0.00 58.65 57.74 1wmk h GLN 107 Cb 0.88 -0.06 0.11 0.00 1.07 0.00 0.00 27.48 29.47 1wmk h GLN 107 CO 0.07 0.67 0.18 1.63 -2.65 0.00 0.00 178.83 178.72 1wmk n LYS 108 N -4.57 1.40 0.01 1.69 4.76 -1.18 -4.92 118.16 115.35 1wmk n LYS 108 Ca -0.02 0.49 0.09 0.00 -2.87 0.00 0.00 58.31 56.00 1wmk n LYS 108 Cb 0.24 -1.89 -0.13 0.00 -1.84 0.00 0.00 35.03 31.40 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 0.83 0.65 0.00 1.97 0.00 -1.26 -4.87 120.64 117.96 1wmk n GLU 109 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1wmk n GLU 109 Cb 0.32 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.16 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 -2.42 0.00 -2.32 -1.84 3.41 -1.26 -5.04 113.62 104.15 1wmk n SER 110 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.55 1wmk n SER 110 Cb 0.63 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.41 -4.98 -4.95 1.04 7.94 -1.26 -4.68 117.00 108.70 1wmk n LEU 111 Ca 0.00 2.33 -0.28 0.00 -1.11 0.00 0.00 56.01 56.95 1wmk n LEU 111 Cb 0.00 -2.80 0.17 0.00 0.53 0.00 0.00 43.42 41.32 1wmk n LEU 111 CO 0.00 -2.71 0.79 -0.94 -1.11 0.00 0.00 177.39 173.42 1wmk s SER 112 N -0.45 3.35 0.32 1.96 1.04 -1.26 -3.40 113.70 115.26 1wmk s SER 112 Ca -0.03 0.03 0.23 0.00 0.48 0.00 0.00 55.95 56.66 1wmk s SER 112 Cb 0.00 -0.12 0.27 0.00 0.10 0.00 0.00 66.02 66.28 1wmk s SER 112 CO 0.07 -2.56 1.42 -0.08 0.98 0.00 0.00 173.24 173.07 1wmk h GLU 113 N -1.37 0.00 0.01 4.02 4.81 -1.45 -1.58 114.58 119.02 1wmk h GLU 113 Ca -0.42 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.72 1wmk h GLU 113 Cb 1.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.62 1wmk h GLU 113 CO 0.36 0.00 -0.39 1.49 -0.73 0.00 0.00 179.01 179.75 1wmk h GLU 114 N 0.00 0.24 -0.64 1.92 4.81 -1.71 -3.00 114.58 116.20 1wmk h GLU 114 Ca 0.00 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1wmk h GLU 114 Cb 0.96 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1wmk h GLU 114 CO 0.00 1.00 0.42 0.93 -0.73 0.00 0.00 179.01 180.63 1wmk h GLU 115 N -0.40 0.78 -0.42 1.92 5.08 -1.89 -2.40 114.58 117.26 1wmk h GLU 115 Ca -0.05 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1wmk h GLU 115 Cb 1.15 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1wmk h GLU 115 CO 0.08 0.52 0.04 0.00 -1.00 0.00 0.00 179.01 178.64 1wmk h ALA 116 N 1.62 0.56 0.00 3.43 0.00 -1.38 -2.97 119.26 120.52 1wmk h ALA 116 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wmk h ALA 116 Cb -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1wmk h ALA 116 CO -0.06 0.31 -0.03 1.15 0.00 0.00 0.00 179.25 180.62 1wmk h THR 117 N 0.57 0.65 -0.48 0.00 2.02 -1.28 -2.21 112.91 112.17 1wmk h THR 117 Ca 0.12 -0.13 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1wmk h THR 117 Cb 0.43 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.84 1wmk h THR 117 CO 0.01 0.03 -0.00 -1.28 0.37 0.00 0.00 175.52 174.65 1wmk h SER 118 N 0.00 -0.21 -0.02 4.18 0.87 -1.34 -1.83 113.55 115.19 1wmk h SER 118 Ca -0.00 0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1wmk h SER 118 Cb 0.08 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1wmk h SER 118 CO 0.00 -0.07 -0.43 -0.26 -0.53 0.00 0.00 176.83 175.55 1wmk h PHE 119 N 0.11 0.47 -0.81 2.24 -1.00 -1.54 -2.96 116.94 113.45 1wmk h PHE 119 Ca 0.24 -0.24 0.17 0.00 2.81 0.00 0.00 57.97 60.95 1wmk h PHE 119 Cb 0.36 -0.06 -0.11 0.00 3.61 0.00 0.00 35.95 39.76 1wmk h PHE 119 CO -0.31 1.03 0.32 0.82 -1.61 0.00 0.00 178.31 178.56 1wmk h ILE 120 N -0.23 0.58 -0.62 -0.55 1.08 -1.48 0.47 117.51 116.76 1wmk h ILE 120 Ca -0.05 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1wmk h ILE 120 Cb 1.13 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1wmk h ILE 120 CO 0.08 0.08 0.33 0.50 -0.69 0.00 0.00 178.15 178.45 1wmk h LYS 121 N 0.42 0.88 -0.21 2.37 3.11 -1.33 -0.82 116.57 120.99 1wmk h LYS 121 Ca 0.46 -0.11 0.05 0.00 -2.81 0.00 0.00 60.65 58.24 1wmk h LYS 121 Cb 0.77 -0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 31.78 1wmk h LYS 121 CO -0.46 0.68 -0.16 1.96 -2.81 0.00 0.00 179.45 178.67 1wmk h GLN 122 N 0.85 -0.15 0.25 1.90 4.20 -0.77 -0.72 115.11 120.67 1wmk h GLN 122 Ca 0.22 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1wmk h GLN 122 Cb 0.07 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1wmk h GLN 122 CO -0.03 -0.10 -0.40 0.82 -0.67 0.00 0.00 178.83 178.45 1wmk h ILE 123 N -0.16 0.20 -0.99 2.54 5.03 -0.85 -2.25 117.51 121.03 1wmk h ILE 123 Ca 0.12 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.10 1wmk h ILE 123 Cb 0.35 0.20 -0.08 0.00 -3.03 0.00 0.00 36.82 34.25 1wmk h ILE 123 CO -0.31 0.00 0.65 -0.07 -0.68 0.00 0.00 178.15 177.74 1wmk h LEU 124 N -0.71 0.41 0.54 1.44 3.38 -0.71 -1.29 115.31 118.38 1wmk h LEU 124 Ca -0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1wmk h LEU 124 Cb 0.69 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1wmk h LEU 124 CO -0.15 0.12 -0.26 0.44 0.09 0.00 0.00 178.44 178.68 1wmk h ASP 125 N 0.39 -0.62 -0.76 -0.43 5.19 -0.54 0.24 116.42 119.88 1wmk h ASP 125 Ca 0.54 -0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.98 1wmk h ASP 125 Cb 1.38 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 41.01 1wmk h ASP 125 CO -0.23 -0.37 0.50 1.23 -3.12 0.00 0.00 179.24 177.26 1wmk h GLY 126 N -0.84 1.04 1.10 2.75 0.00 -1.11 -2.29 103.07 103.72 1wmk h GLY 126 Ca -0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1wmk h GLY 126 CO 0.12 0.26 -0.22 -2.08 0.00 0.00 0.00 176.54 174.62 1wmk h VAL 127 N 0.84 1.27 -0.53 4.60 2.07 -0.98 -2.81 116.25 120.71 1wmk h VAL 127 Ca 0.32 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 1wmk h VAL 127 Cb 0.19 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1wmk h VAL 127 CO -0.11 0.48 0.04 -1.13 0.02 0.00 0.00 177.57 176.87 1wmk h ASN 128 N 0.83 0.83 -0.96 0.57 -1.24 -0.10 -1.74 115.58 113.78 1wmk h ASN 128 Ca 0.11 -0.19 0.02 0.00 0.71 0.00 0.00 56.30 56.94 1wmk h ASN 128 Cb 0.80 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.58 1wmk h ASN 128 CO 0.07 0.87 0.63 0.22 -1.29 0.00 0.00 177.43 177.93 1wmk h TYR 129 N 0.82 1.19 0.17 0.67 3.20 -1.23 -1.63 116.97 120.16 1wmk h TYR 129 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1wmk h TYR 129 Cb 0.43 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1wmk h TYR 129 CO 0.02 0.73 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.12 1wmk h LEU 130 N 1.26 -0.20 -2.09 2.82 3.38 -1.22 -2.99 115.31 116.27 1wmk h LEU 130 Ca 0.36 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1wmk h LEU 130 Cb -0.09 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1wmk h LEU 130 CO -0.09 0.23 0.25 0.45 0.09 0.00 0.00 178.44 179.37 1wmk h HIS 131 N -0.67 0.00 -0.37 1.13 3.86 -1.16 0.01 115.15 117.95 1wmk h HIS 131 Ca -0.02 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 1wmk h HIS 131 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1wmk h HIS 131 CO 0.05 0.00 -0.18 1.15 0.86 0.00 0.00 177.93 179.81 1wmk h THR 132 N 0.00 1.28 0.00 2.45 2.02 -1.24 -2.71 112.91 114.72 1wmk h THR 132 Ca 0.14 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1wmk h THR 132 Cb 0.63 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1wmk h THR 132 CO -0.00 0.43 0.00 0.29 0.37 0.00 0.00 175.52 176.61 1wmk n LYS 133 N -4.28 0.98 -3.75 6.66 4.76 -0.11 -4.89 118.16 117.53 1wmk n LYS 133 Ca -0.02 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.15 1wmk n LYS 133 Cb 0.41 -1.00 0.05 0.00 -1.84 0.00 0.00 35.03 32.66 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 -0.50 -6.79 -4.45 1.97 4.01 -0.99 -4.94 118.16 106.47 1wmk n LYS 134 Ca 0.00 0.72 -0.33 0.00 -0.51 0.00 0.00 58.31 58.19 1wmk n LYS 134 Cb 0.00 -5.69 -0.10 0.00 -0.51 0.00 0.00 35.03 28.73 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 -3.32 3.85 -0.22 -0.18 1.01 -0.60 -1.90 121.20 119.84 1wmk s ILE 135 Ca 0.61 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1wmk s ILE 135 Cb -0.29 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.58 1wmk s ILE 135 CO 0.78 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 176.13 1wmk s ALA 136 N -0.96 1.83 -0.74 9.38 0.00 -1.08 -3.51 121.76 126.67 1wmk s ALA 136 Ca 0.16 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.64 1wmk s ALA 136 Cb -0.11 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.69 1wmk s ALA 136 CO 0.06 -1.11 1.22 -1.58 0.00 0.00 0.00 175.76 174.36 1wmk s HIS 137 N 1.46 2.39 -0.13 0.00 2.46 -1.26 -2.67 115.29 117.55 1wmk s HIS 137 Ca -0.04 -0.23 0.22 0.00 0.47 0.00 0.00 55.06 55.48 1wmk s HIS 137 Cb -0.18 -4.56 0.52 0.00 -0.13 0.00 0.00 32.58 28.23 1wmk s HIS 137 CO -0.07 -1.97 1.66 0.74 -2.47 0.00 0.00 174.74 172.63 1wmk h PHE 138 N 9.90 0.00 -2.81 3.88 0.04 -1.78 -3.39 116.94 122.78 1wmk h PHE 138 Ca -0.24 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 59.82 1wmk h PHE 138 Cb 1.05 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.01 1wmk h PHE 138 CO 1.11 0.23 0.54 0.34 -0.60 0.00 0.00 178.31 179.93 1wmk s ASP 139 N -6.23 6.55 -0.49 2.17 2.15 -1.25 -4.93 116.67 114.64 1wmk s ASP 139 Ca 0.04 -2.01 0.04 0.00 0.43 0.00 0.00 52.55 51.04 1wmk s ASP 139 Cb 0.08 -2.34 0.13 0.00 -0.30 0.00 0.00 42.92 40.48 1wmk s ASP 139 CO 0.67 -0.99 0.24 -0.76 -0.17 0.00 0.00 175.17 174.16 1wmk s LEU 140 N 2.24 4.13 0.30 -1.34 1.43 -1.26 -4.93 118.68 119.25 1wmk s LEU 140 Ca 0.25 -2.88 0.08 0.00 -1.03 0.00 0.00 54.13 50.55 1wmk s LEU 140 Cb -0.10 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 1wmk s LEU 140 CO -0.05 -0.25 -0.07 -1.59 0.23 0.00 0.00 176.35 174.61 1wmk s LYS 141 N -0.10 1.64 0.63 1.70 -2.85 -1.26 -4.82 119.74 114.68 1wmk s LYS 141 Ca 0.16 -1.83 0.35 0.00 -1.00 0.00 0.00 55.97 53.65 1wmk s LYS 141 Cb -0.25 -1.33 1.98 0.00 -2.06 0.00 0.00 37.83 36.16 1wmk s LYS 141 CO -0.01 0.07 2.22 -1.35 0.10 0.00 0.00 175.35 176.39 1wmk h PRO 142 N 2.20 0.00 0.00 1.78 0.11 -1.98 -1.43 132.00 132.68 1wmk h PRO 142 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.68 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.38 1wmk h GLU 143 N 0.00 0.00 0.00 1.05 3.07 -2.00 -3.14 114.58 113.56 1wmk h GLU 143 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1wmk h GLU 143 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1wmk h GLU 143 CO -0.00 0.02 -0.57 0.09 -1.40 0.00 0.00 179.01 177.15 1wmk n ASN 144 N -3.10 0.63 -4.42 1.42 5.03 -0.56 -4.70 115.26 109.56 1wmk n ASN 144 Ca 0.04 0.06 -0.44 0.00 0.87 0.00 0.00 54.58 55.11 1wmk n ASN 144 Cb 0.54 0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 39.41 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 -3.12 4.76 0.43 2.41 1.01 -1.11 -2.70 121.20 122.88 1wmk s ILE 145 Ca 0.08 -1.27 0.08 0.00 0.00 0.00 0.00 60.65 59.53 1wmk s ILE 145 Cb 0.14 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1wmk s ILE 145 CO 0.71 -1.35 0.49 -0.04 0.00 0.00 0.00 174.94 174.75 1wmk s MET 146 N 2.70 2.66 -0.01 2.79 -1.94 0.03 -1.11 119.30 124.43 1wmk s MET 146 Ca 0.23 -1.41 0.05 0.00 -1.71 0.00 0.00 55.69 52.86 1wmk s MET 146 Cb -0.13 -2.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 1wmk s MET 146 CO -0.01 -0.27 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.04 1wmk s LEU 147 N -4.27 2.04 -0.04 -0.03 1.02 -0.62 -0.57 118.68 116.20 1wmk s LEU 147 Ca 0.52 -0.31 -0.20 0.00 0.02 0.00 0.00 54.13 54.15 1wmk s LEU 147 Cb -0.07 -0.88 -0.14 0.00 0.02 0.00 0.00 46.19 45.12 1wmk s LEU 147 CO 0.31 0.21 0.86 0.25 0.02 0.00 0.00 176.35 178.00 1wmk h LEU 148 N 5.70 -0.27 -8.03 1.79 6.46 -1.73 -1.73 115.31 117.50 1wmk h LEU 148 Ca -0.37 -0.25 -0.35 0.00 -0.12 0.00 0.00 57.88 56.79 1wmk h LEU 148 Cb 1.15 0.07 -0.27 0.00 -0.73 0.00 0.00 40.66 40.88 1wmk h LEU 148 CO 0.48 0.23 -0.76 -0.62 -0.62 0.00 0.00 178.44 177.15 1wmk s ASP 149 N -5.30 0.90 0.19 1.25 2.15 -1.26 -3.57 116.67 111.03 1wmk s ASP 149 Ca -0.12 -0.21 0.21 0.00 0.43 0.00 0.00 52.55 52.86 1wmk s ASP 149 Cb 0.01 -0.08 -0.00 0.00 -0.30 0.00 0.00 42.92 42.55 1wmk s ASP 149 CO 0.43 0.04 1.05 0.50 -0.17 0.00 0.00 175.17 177.02 1wmk h LYS 150 N 5.69 0.00 -0.01 4.34 3.64 -1.84 -3.39 116.57 125.00 1wmk h LYS 150 Ca -0.31 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.91 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 0.48 0.09 -0.73 -0.91 -2.27 0.00 0.00 179.45 176.11 1wmk h ASN 151 N 0.00 0.11 -3.91 4.20 2.35 -1.96 -3.46 115.58 112.91 1wmk h ASN 151 Ca -0.04 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.10 1wmk h ASN 151 Cb 1.16 -0.03 0.08 0.00 0.05 0.00 0.00 38.32 39.58 1wmk h ASN 151 CO 0.01 0.80 0.69 -0.63 -1.65 0.00 0.00 177.43 176.66 1wmk s ILE 152 N -3.41 2.43 0.16 2.81 1.01 -1.26 -4.94 121.20 118.00 1wmk s ILE 152 Ca -0.02 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.84 1wmk s ILE 152 Cb 0.12 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.36 1wmk s ILE 152 CO 0.79 0.10 1.61 1.55 0.00 0.00 0.00 174.94 179.00 1wmk h PRO 153 N 3.17 -0.24 -4.74 2.79 0.13 -1.96 -3.33 132.00 127.80 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 0.06 -0.35 0.00 0.13 0.00 0.00 31.00 32.07 1wmk h PRO 153 CO 0.65 -0.16 -0.71 0.42 -0.23 0.00 0.00 178.00 177.97 1wmk s ILE 154 N -6.04 2.71 0.63 -3.56 1.01 -1.26 -5.12 121.20 109.58 1wmk s ILE 154 Ca -0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 60.65 58.73 1wmk s ILE 154 Cb 0.13 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1wmk s ILE 154 CO 0.68 -0.25 0.98 -2.16 0.00 0.00 0.00 174.94 174.20 1wmk s PRO 155 N 1.14 2.99 0.13 2.79 0.05 -1.25 -5.06 135.00 135.79 1wmk s PRO 155 Ca -0.02 0.26 -0.22 0.00 0.05 0.00 0.00 61.00 61.06 1wmk s PRO 155 Cb -0.20 -2.16 -0.07 0.00 0.05 0.00 0.00 34.50 32.11 1wmk s PRO 155 CO -0.04 -0.79 0.69 -1.58 0.05 0.00 0.00 177.00 175.33 1wmk s HIS 156 N -3.14 3.85 -0.16 0.56 2.46 -1.26 -5.01 115.29 112.60 1wmk s HIS 156 Ca 0.55 1.47 -0.06 0.00 0.47 0.00 0.00 55.06 57.49 1wmk s HIS 156 Cb -0.11 -2.65 -0.04 0.00 -0.13 0.00 0.00 32.58 29.66 1wmk s HIS 156 CO 0.48 0.54 0.05 0.42 -2.47 0.00 0.00 174.74 173.76 1wmk s ILE 157 N -1.16 4.68 -0.00 0.89 1.01 -1.26 -2.18 121.20 123.18 1wmk s ILE 157 Ca 0.33 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.98 1wmk s ILE 157 Cb -0.21 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1wmk s ILE 157 CO 0.23 0.50 -0.24 -0.54 0.00 0.00 0.00 174.94 174.89 1wmk s LYS 158 N 0.04 1.87 -0.16 2.79 -0.14 0.26 -4.45 119.74 119.94 1wmk s LYS 158 Ca 0.05 -0.90 -0.06 0.00 -1.36 0.00 0.00 55.97 53.70 1wmk s LYS 158 Cb -0.12 -1.85 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 1wmk s LYS 158 CO 0.01 0.50 0.05 -0.51 -0.76 0.00 0.00 175.35 174.64 1wmk s LEU 159 N -0.72 3.79 0.45 3.17 1.43 -1.07 -0.79 118.68 124.94 1wmk s LEU 159 Ca 0.09 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1wmk s LEU 159 Cb -0.09 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1wmk s LEU 159 CO -0.00 0.22 0.06 0.27 0.23 0.00 0.00 176.35 177.12 1wmk s ILE 160 N 0.10 1.01 -0.59 -0.59 -4.36 -1.10 -1.75 121.20 113.93 1wmk s ILE 160 Ca 0.05 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.34 1wmk s ILE 160 Cb -0.12 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.25 1wmk s ILE 160 CO 0.01 0.00 0.65 -0.67 0.24 0.00 0.00 174.94 175.17 1wmk n ASP 161 N -1.22 -7.44 -1.24 4.36 -0.08 -1.26 -4.91 116.55 104.76 1wmk n ASP 161 Ca -0.12 0.11 0.02 0.00 -1.51 0.00 0.00 54.79 53.29 1wmk n ASP 161 Cb 0.66 -4.76 0.20 0.00 2.34 0.00 0.00 41.12 39.56 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 -1.09 1.10 -0.34 -0.67 3.01 -1.26 -4.29 117.46 113.91 1wmk n PHE 162 Ca 0.02 -0.42 0.05 0.00 1.01 0.00 0.00 57.45 58.10 1wmk n PHE 162 Cb 0.51 -0.33 0.22 0.00 -0.01 0.00 0.00 39.48 39.87 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 4.38 1.47 -4.72 1.37 0.00 -1.92 -2.27 103.07 101.37 1wmk h GLY 163 Ca 0.02 -0.44 -0.73 0.00 0.00 0.00 0.00 47.33 46.18 1wmk h GLY 163 CO 0.27 0.27 0.88 1.04 0.00 0.00 0.00 176.54 179.00 1wmk n LEU 164 N -4.53 7.35 -4.45 3.11 4.32 -1.26 -4.87 117.00 116.68 1wmk n LEU 164 Ca 0.16 -4.74 -0.30 0.00 -0.02 0.00 0.00 56.01 51.11 1wmk n LEU 164 Cb 0.24 -1.00 -0.12 0.00 -1.62 0.00 0.00 43.42 40.92 1wmk n LEU 164 CO 0.31 1.73 -0.51 0.00 -1.22 0.00 0.00 177.39 177.70 1wmk s ALA 165 N -3.98 2.58 -0.12 -1.18 0.00 -0.86 -1.93 121.76 116.27 1wmk s ALA 165 Ca 0.55 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 1wmk s ALA 165 Cb 0.45 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1wmk s ALA 165 CO -0.31 0.57 0.29 -1.58 0.00 0.00 0.00 175.76 174.74 1wmk s HIS 166 N -1.07 -0.39 -0.21 0.00 2.46 -1.09 -4.81 115.29 110.18 1wmk s HIS 166 Ca 0.16 0.89 -0.29 0.00 0.47 0.00 0.00 55.06 56.29 1wmk s HIS 166 Cb -0.10 0.11 -0.01 0.00 -0.13 0.00 0.00 32.58 32.45 1wmk s HIS 166 CO 0.08 -0.23 1.36 -1.21 -2.47 0.00 0.00 174.74 172.27 1wmk s GLU 167 N 0.98 4.05 -0.13 2.88 2.02 -1.26 -2.63 118.70 124.60 1wmk s GLU 167 Ca -0.07 1.55 -0.18 0.00 0.02 0.00 0.00 54.97 56.30 1wmk s GLU 167 Cb -0.08 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1wmk s GLU 167 CO -0.07 -0.96 0.46 0.42 0.02 0.00 0.00 175.26 175.13 1wmk s ILE 168 N 4.12 5.20 0.42 -1.63 -1.09 -0.80 -5.04 121.20 122.38 1wmk s ILE 168 Ca 0.59 0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 59.89 1wmk s ILE 168 Cb -0.21 -3.80 0.09 0.00 -1.58 0.00 0.00 42.46 36.96 1wmk s ILE 168 CO 0.21 0.33 0.57 -0.62 -1.23 0.00 0.00 174.94 174.20 1wmk n GLU 169 N 3.70 -0.04 -0.10 2.79 -0.58 -1.26 -4.90 120.64 120.25 1wmk n GLU 169 Ca -0.07 -1.31 -0.16 0.00 -0.42 0.00 0.00 57.16 55.20 1wmk n GLU 169 Cb 0.52 -0.46 -0.06 0.00 -0.57 0.00 0.00 31.44 30.87 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 -3.10 1.89 0.04 1.62 10.43 -1.26 -4.63 116.55 121.54 1wmk n ASP 170 Ca 0.09 0.43 -0.14 0.00 2.57 0.00 0.00 54.79 57.74 1wmk n ASP 170 Cb 0.31 -0.84 -0.14 0.00 1.84 0.00 0.00 41.12 42.28 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 0.18 -4.80 0.44 0.00 -2.06 -3.46 103.07 92.36 1wmk h GLY 171 Ca -0.25 -0.45 -0.54 0.00 0.00 0.00 0.00 47.33 46.09 1wmk h GLY 171 CO -0.15 0.40 0.79 0.14 0.00 0.00 0.00 176.54 177.72 1wmk s VAL 172 N -2.62 3.76 0.41 4.60 1.01 -1.26 -5.00 120.40 121.30 1wmk s VAL 172 Ca -0.07 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1wmk s VAL 172 Cb 0.08 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1wmk s VAL 172 CO 0.84 0.01 0.80 -0.70 0.00 0.00 0.00 175.10 176.05 1wmk s GLU 173 N 2.20 3.83 -0.27 2.72 2.12 -1.26 -4.47 118.70 123.57 1wmk s GLU 173 Ca 0.63 0.58 -0.02 0.00 0.36 0.00 0.00 54.97 56.51 1wmk s GLU 173 Cb -0.31 -2.35 0.12 0.00 0.26 0.00 0.00 34.13 31.85 1wmk s GLU 173 CO 0.26 -0.06 0.24 0.12 -0.54 0.00 0.00 175.26 175.28 1wmk s PHE 174 N -2.37 -0.23 0.08 5.30 5.36 -1.26 -5.05 117.98 119.81 1wmk s PHE 174 Ca 0.53 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.28 1wmk s PHE 174 Cb -0.10 -0.55 -0.04 0.00 -0.34 0.00 0.00 43.02 41.99 1wmk s PHE 174 CO 0.30 -0.82 0.07 0.15 -1.46 0.00 0.00 175.22 173.46 1wmk s LYS 175 N 2.29 2.86 -0.16 10.12 1.02 -1.26 -2.17 119.74 132.43 1wmk s LYS 175 Ca 0.09 -0.71 -0.32 0.00 0.02 0.00 0.00 55.97 55.05 1wmk s LYS 175 Cb -0.15 -2.71 0.14 0.00 -0.52 0.00 0.00 37.83 34.59 1wmk s LYS 175 CO -0.29 0.56 1.13 1.21 -0.92 0.00 0.00 175.35 177.05 1wmk s ASN 176 N -2.40 -0.20 -0.22 2.83 2.47 -1.26 -5.05 114.94 111.10 1wmk s ASN 176 Ca 0.29 0.07 -0.10 0.00 0.42 0.00 0.00 52.86 53.54 1wmk s ASN 176 Cb -0.12 0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.83 1wmk s ASN 176 CO 0.22 -0.30 0.14 -0.51 -3.72 0.00 0.00 177.10 172.93 1wmk s ILE 177 N -2.16 5.33 0.00 -5.21 -1.16 -1.26 -4.86 121.20 111.87 1wmk s ILE 177 Ca 0.07 0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.37 1wmk s ILE 177 Cb -0.01 -3.46 0.00 0.00 0.61 0.00 0.00 42.46 39.60 1wmk s ILE 177 CO -0.05 0.39 0.00 0.49 -2.81 0.00 0.00 174.94 172.96 1wmk n PHE 178 N 3.93 0.00 0.00 3.50 3.01 -1.26 -5.15 117.46 121.49 1wmk n PHE 178 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 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 5.00 1.34 3.73 1.37 0.00 -1.26 -4.97 105.19 110.40 1wmk n GLY 179 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.12 0.28 2.61 2.01 -1.26 -4.98 115.64 119.42 1wmk s THR 180 Ca 0.00 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1wmk s THR 180 Cb 0.00 -3.86 0.40 0.00 0.01 0.00 0.00 72.50 69.05 1wmk s THR 180 CO 0.00 0.34 1.45 -2.65 -0.69 0.00 0.00 174.62 173.07 1wmk n PRO 181 N 3.44 -0.08 0.19 4.92 -0.02 -1.26 -2.63 135.00 139.57 1wmk n PRO 181 Ca -0.07 1.39 -0.12 0.00 -2.02 0.00 0.00 63.50 62.69 1wmk n PRO 181 Cb 0.52 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.51 -1.83 -0.52 5.08 -1.97 -3.38 114.58 111.45 1wmk h GLU 182 Ca 0.54 0.04 -0.63 0.00 -1.00 0.00 0.00 59.36 58.30 1wmk h GLU 182 Cb 1.07 0.12 -0.23 0.00 0.50 0.00 0.00 28.75 30.21 1wmk h GLU 182 CO -0.88 -0.22 0.76 1.19 -1.00 0.00 0.00 179.01 178.86 1wmk n PHE 183 N -5.15 2.42 -4.87 4.33 3.01 -1.08 -4.91 117.46 111.21 1wmk n PHE 183 Ca -0.09 -2.25 -0.26 0.00 1.01 0.00 0.00 57.45 55.86 1wmk n PHE 183 Cb 0.27 -1.27 -0.15 0.00 -0.01 0.00 0.00 39.48 38.32 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 -3.85 1.59 0.54 -4.37 -7.23 -1.25 -4.64 120.40 101.19 1wmk s VAL 184 Ca 0.54 -0.95 -0.18 0.00 -1.81 0.00 0.00 61.98 59.58 1wmk s VAL 184 Cb 0.41 -1.34 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 1wmk s VAL 184 CO -0.27 0.37 1.07 0.00 -0.31 0.00 0.00 175.10 175.96 1wmk s ALA 185 N -0.56 2.77 0.52 1.32 0.00 -1.26 -4.93 121.76 119.62 1wmk s ALA 185 Ca 0.08 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.83 1wmk s ALA 185 Cb -0.08 -3.27 1.41 0.00 0.00 0.00 0.00 23.12 21.17 1wmk s ALA 185 CO -0.00 -0.60 2.15 -1.35 0.00 0.00 0.00 175.76 175.95 1wmk h PRO 186 N 1.08 0.00 0.00 0.00 0.11 -1.92 -0.89 132.00 130.38 1wmk h PRO 186 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1wmk h PRO 186 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wmk h PRO 186 CO 0.58 0.05 -0.13 1.05 -0.21 0.00 0.00 178.00 179.33 1wmk h GLU 187 N 0.00 0.00 0.12 1.05 4.11 -1.88 -2.49 114.58 115.48 1wmk h GLU 187 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.16 1wmk h GLU 187 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1wmk h GLU 187 CO 0.01 0.13 -1.21 0.82 0.07 0.00 0.00 179.01 178.83 1wmk h ILE 188 N 0.00 1.44 -0.13 -1.06 1.08 -1.47 -3.21 117.51 114.16 1wmk h ILE 188 Ca -0.00 -2.86 -0.04 0.00 -0.39 0.00 0.00 64.86 61.57 1wmk h ILE 188 Cb 0.30 2.84 -0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1wmk h ILE 188 CO 0.02 0.84 -0.06 0.58 -0.69 0.00 0.00 178.15 178.84 1wmk h VAL 189 N 0.12 1.32 -4.16 1.67 2.07 -1.15 -3.43 116.25 112.69 1wmk h VAL 189 Ca -0.14 -1.10 -0.47 0.00 0.82 0.00 0.00 66.70 65.82 1wmk h VAL 189 Cb 1.91 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1wmk h VAL 189 CO 0.21 0.32 0.37 0.20 0.02 0.00 0.00 177.57 178.68 1wmk s ASN 190 N -5.92 6.63 -1.46 0.57 -0.87 -0.97 -4.94 114.94 107.99 1wmk s ASN 190 Ca -0.14 1.62 -0.14 0.00 -1.57 0.00 0.00 52.86 52.63 1wmk s ASN 190 Cb 0.05 -2.52 0.03 0.00 -0.02 0.00 0.00 41.25 38.79 1wmk s ASN 190 CO 0.73 -0.58 2.27 0.00 -2.57 0.00 0.00 177.10 176.95 1wmk n TYR 191 N -1.39 3.43 -4.37 2.20 9.36 -1.26 -4.81 117.16 120.32 1wmk n TYR 191 Ca 0.07 -2.96 -0.24 0.00 3.32 0.00 0.00 57.90 58.09 1wmk n TYR 191 Cb 0.54 -2.54 -0.09 0.00 -0.63 0.00 0.00 39.34 36.62 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 3.17 1.97 0.60 2.98 2.02 -1.21 -5.00 118.70 123.24 1wmk s GLU 192 Ca 0.49 -1.54 -0.20 0.00 0.02 0.00 0.00 54.97 53.74 1wmk s GLU 192 Cb 0.14 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1wmk s GLU 192 CO -0.08 0.36 1.30 -0.35 0.02 0.00 0.00 175.26 176.51 1wmk n PRO 193 N -0.58 1.36 -4.37 0.39 -0.04 -1.26 -4.58 135.00 125.92 1wmk n PRO 193 Ca -0.07 0.52 -0.22 0.00 -0.04 0.00 0.00 63.50 63.69 1wmk n PRO 193 Cb 0.59 -2.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.42 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 -3.74 2.50 0.00 1.53 1.43 -0.92 -4.90 118.68 114.58 1wmk s LEU 194 Ca 0.77 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1wmk s LEU 194 Cb -0.40 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1wmk s LEU 194 CO 0.45 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1wmk n GLY 195 N -0.10 3.52 0.22 -3.19 0.00 -1.26 -4.62 105.19 99.76 1wmk n GLY 195 Ca -0.10 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.66 0.99 3.38 -1.99 -3.12 115.31 112.91 1wmk h LEU 196 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1wmk h LEU 196 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1wmk h LEU 196 CO 0.00 0.23 0.49 -0.33 0.09 0.00 0.00 178.44 178.92 1wmk h GLU 197 N 0.00 0.32 -0.73 1.13 3.07 -1.94 -2.31 114.58 114.13 1wmk h GLU 197 Ca -0.00 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1wmk h GLU 197 Cb 0.81 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.60 1wmk h GLU 197 CO 0.03 0.21 0.46 0.00 -1.40 0.00 0.00 179.01 178.31 1wmk h ALA 198 N 1.66 0.96 -0.56 3.43 0.00 -1.96 -2.66 119.26 120.13 1wmk h ALA 198 Ca 0.35 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1wmk h ALA 198 Cb 0.91 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1wmk h ALA 198 CO -0.10 0.23 0.30 -0.44 0.00 0.00 0.00 179.25 179.24 1wmk h ASP 199 N 0.88 0.45 -0.63 0.00 3.45 -1.63 -2.89 116.42 116.05 1wmk h ASP 199 Ca 0.30 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.78 1wmk h ASP 199 Cb 0.04 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1wmk h ASP 199 CO -0.12 0.30 0.37 0.24 -1.57 0.00 0.00 179.24 178.46 1wmk h MET 200 N 0.58 0.87 -0.09 3.56 2.86 -1.55 -1.21 114.93 119.95 1wmk h MET 200 Ca 0.24 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 1wmk h MET 200 Cb 0.13 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1wmk h MET 200 CO -0.15 0.63 -0.22 2.35 1.06 0.00 0.00 176.91 180.57 1wmk h TRP 201 N 0.89 -0.59 -0.42 -0.22 2.91 -1.46 -2.75 115.95 114.30 1wmk h TRP 201 Ca 0.23 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.36 1wmk h TRP 201 Cb -0.01 0.27 -0.09 0.00 -0.51 0.00 0.00 29.16 28.83 1wmk h TRP 201 CO 0.00 -0.30 -0.20 0.77 -1.03 0.00 0.00 178.44 177.68 1wmk h SER 202 N -0.30 -0.67 -0.67 2.65 0.02 -1.20 -1.58 113.55 111.79 1wmk h SER 202 Ca 0.09 0.16 0.14 0.00 -0.84 0.00 0.00 61.79 61.33 1wmk h SER 202 Cb 0.43 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 63.21 1wmk h SER 202 CO -0.26 -0.23 -0.13 0.40 -1.14 0.00 0.00 176.83 175.47 1wmk h ILE 203 N -0.12 0.35 -0.79 3.27 1.08 -1.18 0.24 117.51 120.36 1wmk h ILE 203 Ca 0.20 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.68 1wmk h ILE 203 Cb 0.43 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 1wmk h ILE 203 CO -0.49 0.00 0.52 1.23 -0.69 0.00 0.00 178.15 178.72 1wmk h GLY 204 N 0.02 1.11 1.10 5.37 0.00 -1.05 0.10 103.07 109.73 1wmk h GLY 204 Ca 0.33 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 1wmk h GLY 204 CO -0.67 0.39 -0.34 -2.08 0.00 0.00 0.00 176.54 173.83 1wmk h VAL 205 N 1.05 1.28 -0.45 4.60 2.07 -0.14 -1.51 116.25 123.15 1wmk h VAL 205 Ca 0.30 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1wmk h VAL 205 Cb -0.08 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1wmk h VAL 205 CO -0.07 0.51 0.19 0.40 0.02 0.00 0.00 177.57 178.61 1wmk h ILE 206 N 0.72 1.20 -0.25 4.57 1.08 -0.08 -2.43 117.51 122.32 1wmk h ILE 206 Ca 0.06 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1wmk h ILE 206 Cb 0.93 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1wmk h ILE 206 CO 0.09 0.23 0.14 0.74 -0.69 0.00 0.00 178.15 178.65 1wmk h THR 207 N 0.58 1.11 -0.38 -0.27 2.02 -0.75 0.48 112.91 115.69 1wmk h THR 207 Ca 0.15 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 67.13 1wmk h THR 207 Cb 0.18 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 1wmk h THR 207 CO -0.01 0.10 -0.03 0.22 0.37 0.00 0.00 175.52 176.17 1wmk h TYR 208 N 0.30 -0.08 -0.08 3.16 5.03 -1.11 0.60 116.97 124.78 1wmk h TYR 208 Ca 0.09 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.28 1wmk h TYR 208 Cb 0.04 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 1wmk h TYR 208 CO -0.04 -0.10 -0.59 0.82 -1.32 0.00 0.00 178.16 176.92 1wmk h ILE 209 N 0.07 1.38 -0.33 1.81 2.04 -1.25 -2.35 117.51 118.88 1wmk h ILE 209 Ca 0.19 -1.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.00 1wmk h ILE 209 Cb 0.27 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1wmk h ILE 209 CO -0.34 0.58 -0.17 0.25 0.00 0.00 0.00 178.15 178.47 1wmk h LEU 210 N 0.19 0.59 0.00 1.44 6.46 0.17 0.18 115.31 124.34 1wmk h LEU 210 Ca -0.00 -0.18 -0.17 0.00 -0.12 0.00 0.00 57.88 57.40 1wmk h LEU 210 Cb 1.10 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 1wmk h LEU 210 CO 0.09 0.77 -0.95 -0.07 -0.62 0.00 0.00 178.44 177.67 1wmk h LEU 211 N 0.54 0.00 0.00 2.25 3.38 -0.79 -3.43 115.31 117.26 1wmk h LEU 211 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wmk h LEU 211 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wmk h LEU 211 CO 0.04 0.76 -0.23 -1.54 0.09 0.00 0.00 178.44 177.56 1wmk n SER 212 N -3.21 0.72 0.00 -0.43 3.41 -0.90 -2.42 113.62 110.80 1wmk n SER 212 Ca -0.02 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1wmk n SER 212 Cb 0.86 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 3.16 1.73 3.77 5.00 0.00 0.60 -2.15 105.19 117.30 1wmk n GLY 213 Ca 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.48 3.44 0.35 4.61 0.00 -1.26 -4.77 121.76 123.65 1wmk s ALA 214 Ca 0.00 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 1wmk s ALA 214 Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 1wmk s ALA 214 CO 0.00 0.20 1.00 0.45 0.00 0.00 0.00 175.76 177.41 1wmk s SER 215 N -0.55 7.09 0.27 0.00 0.15 -1.26 -4.32 113.70 115.08 1wmk s SER 215 Ca 0.35 1.97 0.26 0.00 0.70 0.00 0.00 55.95 59.22 1wmk s SER 215 Cb -0.21 -2.59 0.83 0.00 -1.71 0.00 0.00 66.02 62.35 1wmk s SER 215 CO 0.22 -0.25 1.75 1.55 1.20 0.00 0.00 173.24 177.72 1wmk h PRO 216 N 2.97 0.00 0.00 5.44 0.13 -1.94 -3.38 132.00 135.22 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 0.64 0.00 -0.43 1.19 -0.23 0.00 0.00 178.00 179.17 1wmk n PHE 217 N -2.41 0.00 -2.24 1.56 3.72 -1.26 -4.35 117.46 112.48 1wmk n PHE 217 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1wmk n PHE 217 Cb 0.38 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.64 4.35 0.00 4.37 0.20 -1.26 -4.36 118.68 120.34 1wmk s LEU 218 Ca 0.00 2.18 0.00 0.00 0.69 0.00 0.00 54.13 57.00 1wmk s LEU 218 Cb 0.00 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 1wmk s LEU 218 CO 0.00 -0.64 0.00 0.61 -0.29 0.00 0.00 176.35 176.03 1wmk n GLY 219 N 3.49 0.17 1.49 7.98 0.00 -1.26 -4.92 105.19 112.13 1wmk n GLY 219 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.26 -4.95 1.61 8.00 -1.26 -5.03 116.55 115.18 1wmk n ASP 220 Ca 0.00 0.16 -0.24 0.00 0.71 0.00 0.00 54.79 55.42 1wmk n ASP 220 Cb 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 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 5.26 0.22 -3.53 -4.23 -1.26 -5.01 115.64 105.09 1wmk s THR 221 Ca 0.00 -0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1wmk s THR 221 Cb 0.00 -3.80 0.16 0.00 1.34 0.00 0.00 72.50 70.21 1wmk s THR 221 CO 0.00 -0.24 1.76 0.50 -0.54 0.00 0.00 174.62 176.10 1wmk h LYS 222 N 1.63 0.48 -0.51 3.99 3.64 -1.99 -1.67 116.57 122.14 1wmk h LYS 222 Ca -0.50 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 58.96 1wmk h LYS 222 Cb 1.21 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.82 1wmk h LYS 222 CO 0.65 0.32 -0.10 0.37 -2.27 0.00 0.00 179.45 178.42 1wmk h GLN 223 N 0.50 0.02 -0.15 1.90 -0.00 -2.00 -1.44 115.11 113.93 1wmk h GLN 223 Ca 0.33 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1wmk h GLN 223 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1wmk h GLN 223 CO -0.29 0.01 0.08 0.93 0.00 0.00 0.00 178.83 179.56 1wmk h GLU 224 N 0.02 0.21 -0.84 1.69 5.08 -1.75 -2.44 114.58 116.56 1wmk h GLU 224 Ca 0.25 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 1wmk h GLU 224 Cb 0.38 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1wmk h GLU 224 CO -0.51 0.22 0.49 1.15 -1.00 0.00 0.00 179.01 179.36 1wmk h THR 225 N 0.14 0.92 -0.30 1.13 2.02 -0.46 0.36 112.91 116.71 1wmk h THR 225 Ca 0.05 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 66.79 1wmk h THR 225 Cb 0.07 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1wmk h THR 225 CO -0.01 0.15 -0.47 -0.07 0.37 0.00 0.00 175.52 175.49 1wmk h LEU 226 N 0.82 0.89 -0.96 2.58 3.38 -1.17 -2.38 115.31 118.47 1wmk h LEU 226 Ca 0.40 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1wmk h LEU 226 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wmk h LEU 226 CO -0.24 1.21 -0.38 0.00 0.09 0.00 0.00 178.44 179.12 1wmk h ALA 227 N 0.82 1.12 -0.59 1.53 0.00 -0.87 -2.47 119.26 118.79 1wmk h ALA 227 Ca 0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1wmk h ALA 227 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1wmk h ALA 227 CO 0.10 0.57 0.01 -0.91 0.00 0.00 0.00 179.25 179.02 1wmk h ASN 228 N 0.24 1.02 -0.32 0.00 4.21 -0.73 0.49 115.58 120.48 1wmk h ASN 228 Ca 0.03 -0.30 -0.10 0.00 1.21 0.00 0.00 56.30 57.13 1wmk h ASN 228 Cb 0.78 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1wmk h ASN 228 CO 0.06 1.08 -0.20 0.40 -1.29 0.00 0.00 177.43 177.48 1wmk h ILE 229 N 0.94 1.29 -0.16 2.81 2.04 -1.29 0.30 117.51 123.44 1wmk h ILE 229 Ca 0.17 -1.33 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 1wmk h ILE 229 Cb 0.55 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1wmk h ILE 229 CO 0.03 0.43 -0.54 0.74 0.00 0.00 0.00 178.15 178.81 1wmk h THR 230 N 0.47 1.33 0.00 -0.27 2.02 -1.44 -2.88 112.91 112.14 1wmk h THR 230 Ca 0.07 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1wmk h THR 230 Cb 0.75 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1wmk h THR 230 CO 0.06 0.55 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1wmk n ALA 231 N -2.51 2.16 -3.35 6.16 0.00 0.16 -4.97 120.51 118.16 1wmk n ALA 231 Ca -0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1wmk n ALA 231 Cb 0.60 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1wmk n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wmk n VAL 232 N -2.21 -7.23 -4.06 0.00 0.31 0.99 -5.00 118.33 101.13 1wmk n VAL 232 Ca 0.05 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 1wmk n VAL 232 Cb 0.39 -5.21 -0.15 0.00 -0.91 0.00 0.00 33.84 27.95 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 -2.83 4.16 -0.13 4.52 0.01 -0.77 -5.04 113.70 113.63 1wmk s SER 233 Ca 0.06 -1.25 -0.05 0.00 1.31 0.00 0.00 55.95 56.02 1wmk s SER 233 Cb -0.01 -1.50 0.06 0.00 0.21 0.00 0.00 66.02 64.78 1wmk s SER 233 CO 0.82 -0.16 0.27 -0.72 0.41 0.00 0.00 173.24 173.85 1wmk s TYR 234 N 1.16 -0.42 -0.17 2.43 1.13 -1.26 -4.63 117.35 115.59 1wmk s TYR 234 Ca -0.06 0.96 -0.04 0.00 -1.41 0.00 0.00 57.07 56.52 1wmk s TYR 234 Cb -0.19 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 1wmk s TYR 234 CO -0.06 -0.33 -0.02 -0.51 -2.51 0.00 0.00 175.55 172.11 1wmk s ASP 235 N 2.13 4.79 -1.08 -0.18 1.11 -1.26 -5.04 116.67 117.14 1wmk s ASP 235 Ca -0.02 -0.16 -0.21 0.00 0.18 0.00 0.00 52.55 52.34 1wmk s ASP 235 Cb -0.12 -1.80 0.07 0.00 1.07 0.00 0.00 42.92 42.15 1wmk s ASP 235 CO -0.09 0.13 1.47 -0.36 1.18 0.00 0.00 175.17 177.49 1wmk s PHE 236 N 0.62 2.72 0.24 4.23 0.08 -1.26 -5.00 117.98 119.62 1wmk s PHE 236 Ca -0.02 -1.16 -0.30 0.00 0.12 0.00 0.00 56.93 55.58 1wmk s PHE 236 Cb -0.14 -4.63 -0.09 0.00 -0.57 0.00 0.00 43.02 37.58 1wmk s PHE 236 CO 0.02 -1.82 1.22 -0.51 -0.10 0.00 0.00 175.22 174.04 1wmk s ASP 237 N 4.51 7.02 0.39 1.36 -0.00 -1.26 -4.89 116.67 123.81 1wmk s ASP 237 Ca 0.46 2.38 0.28 0.00 -0.00 0.00 0.00 52.55 55.67 1wmk s ASP 237 Cb 0.00 -2.62 1.28 0.00 -0.00 0.00 0.00 42.92 41.58 1wmk s ASP 237 CO -0.06 -0.39 1.85 -0.33 -0.00 0.00 0.00 175.17 176.25 1wmk h GLU 238 N 4.54 0.00 -0.02 8.23 4.39 -1.94 -0.23 114.58 129.55 1wmk h GLU 238 Ca -0.46 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.14 1wmk h GLU 238 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1wmk h GLU 238 CO 0.71 0.00 -0.45 1.49 -1.16 0.00 0.00 179.01 179.61 1wmk h GLU 239 N 0.00 0.04 0.00 2.33 4.81 -2.01 -3.16 114.58 116.60 1wmk h GLU 239 Ca 0.00 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1wmk h GLU 239 Cb 0.30 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1wmk h GLU 239 CO 0.00 0.48 -1.61 1.19 -0.73 0.00 0.00 179.01 178.35 1wmk n PHE 240 N -4.00 0.00 -1.54 0.92 3.01 -0.83 -4.72 117.46 110.30 1wmk n PHE 240 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.39 1wmk n PHE 240 Cb 0.48 -0.42 0.18 0.00 -0.01 0.00 0.00 39.48 39.71 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 -2.25 1.06 -0.19 1.38 3.01 -0.16 -4.72 117.46 115.58 1wmk n PHE 241 Ca -0.13 -1.69 -0.03 0.00 1.01 0.00 0.00 57.45 56.61 1wmk n PHE 241 Cb 0.70 -0.46 0.16 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.14 0.89 -1.17 4.37 4.64 -1.75 -3.23 113.55 118.44 1wmk h SER 242 Ca 0.20 -0.13 -0.52 0.00 -0.47 0.00 0.00 61.79 60.86 1wmk h SER 242 Cb 1.47 -0.23 -0.42 0.00 -0.31 0.00 0.00 62.40 62.91 1wmk h SER 242 CO 0.37 0.81 -0.85 0.00 -0.87 0.00 0.00 176.83 176.30 1wmk n GLN 243 N -4.30 3.05 -4.77 4.77 10.64 -1.26 -5.02 117.38 120.50 1wmk n GLN 243 Ca 0.06 -4.18 -0.30 0.00 -1.83 0.00 0.00 57.00 50.75 1wmk n GLN 243 Cb 0.19 -2.07 -0.14 0.00 -0.86 0.00 0.00 30.24 27.36 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 -4.83 2.49 0.77 -0.39 2.01 -1.22 -3.35 115.64 111.11 1wmk s THR 244 Ca 0.44 -1.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 1wmk s THR 244 Cb 0.41 -2.01 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1wmk s THR 244 CO -0.09 0.35 1.09 -0.94 -0.69 0.00 0.00 174.62 174.34 1wmk s SER 245 N -1.36 4.56 0.19 3.53 1.04 -1.26 -4.93 113.70 115.46 1wmk s SER 245 Ca 0.13 1.79 0.25 0.00 0.48 0.00 0.00 55.95 58.60 1wmk s SER 245 Cb -0.10 -2.51 0.90 0.00 0.10 0.00 0.00 66.02 64.41 1wmk s SER 245 CO 0.04 -2.00 1.75 -0.62 0.98 0.00 0.00 173.24 173.39 1wmk n GLU 246 N -3.50 0.19 0.03 4.02 -0.58 -1.26 -2.54 120.64 117.01 1wmk n GLU 246 Ca 0.09 0.26 -0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1wmk n GLU 246 Cb 0.53 -1.77 -0.08 0.00 -0.57 0.00 0.00 31.44 29.55 1wmk n GLU 246 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wmk h LEU 247 N 0.00 0.00 -0.14 -4.62 3.38 -1.98 -3.01 115.31 108.94 1wmk h LEU 247 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1wmk h LEU 247 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wmk h LEU 247 CO 0.00 0.59 -0.27 0.00 0.09 0.00 0.00 178.44 178.85 1wmk h ALA 248 N 1.41 0.22 -0.78 1.53 0.00 -1.92 -2.13 119.26 117.58 1wmk h ALA 248 Ca -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wmk h ALA 248 Cb 1.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1wmk h ALA 248 CO 0.05 0.22 0.49 0.87 0.00 0.00 0.00 179.25 180.87 1wmk h LYS 249 N 0.03 1.04 -0.08 0.00 1.57 -1.63 -2.64 116.57 114.86 1wmk h LYS 249 Ca 0.00 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1wmk h LYS 249 Cb 0.87 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1wmk h LYS 249 CO 0.06 0.72 -0.56 0.22 -0.57 0.00 0.00 179.45 179.32 1wmk h ASP 250 N 1.07 0.26 -0.07 0.86 1.82 -1.51 -0.26 116.42 118.59 1wmk h ASP 250 Ca 0.28 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1wmk h ASP 250 Cb -0.08 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 1wmk h ASP 250 CO -0.06 0.76 0.02 0.15 -1.61 0.00 0.00 179.24 178.50 1wmk h PHE 251 N 0.18 0.11 -0.40 0.28 3.04 -1.08 -2.30 116.94 116.76 1wmk h PHE 251 Ca 0.00 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1wmk h PHE 251 Cb 1.04 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.50 1wmk h PHE 251 CO 0.02 0.28 0.08 0.82 -2.02 0.00 0.00 178.31 177.49 1wmk h ILE 252 N -0.09 1.24 -0.65 1.41 2.04 -1.47 -2.95 117.51 117.03 1wmk h ILE 252 Ca 0.02 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1wmk h ILE 252 Cb 0.23 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1wmk h ILE 252 CO -0.00 0.29 0.43 -0.09 0.00 0.00 0.00 178.15 178.78 1wmk h ARG 253 N 0.52 0.69 0.00 2.37 2.43 -1.00 -1.97 114.38 117.42 1wmk h ARG 253 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1wmk h ARG 253 Cb 0.35 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1wmk h ARG 253 CO 0.01 0.46 -0.39 1.63 -1.51 0.00 0.00 179.97 180.17 1wmk n LYS 254 N -4.47 0.09 0.05 0.20 5.02 -0.87 -3.67 118.16 114.50 1wmk n LYS 254 Ca 0.09 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1wmk n LYS 254 Cb 0.18 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.38 -7.04 -0.35 3.38 -1.21 -3.16 115.31 107.31 1wmk h LEU 255 Ca 0.00 -0.59 -0.79 0.00 0.09 0.00 0.00 57.88 56.59 1wmk h LEU 255 Cb 0.57 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 40.96 1wmk h LEU 255 CO 0.00 1.50 1.04 0.18 0.09 0.00 0.00 178.44 181.25 1wmk n LEU 256 N -3.43 6.16 -4.54 1.67 4.77 -0.81 -4.32 117.00 116.51 1wmk n LEU 256 Ca -0.19 -4.98 -0.33 0.00 -0.03 0.00 0.00 56.01 50.48 1wmk n LEU 256 Cb 1.05 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 1wmk n LEU 256 CO 0.49 1.45 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.90 1wmk s VAL 257 N -1.35 3.39 0.12 4.08 1.01 -1.26 -4.94 120.40 121.45 1wmk s VAL 257 Ca 0.34 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1wmk s VAL 257 Cb 0.02 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 1wmk s VAL 257 CO 0.03 0.52 1.75 0.50 0.00 0.00 0.00 175.10 177.90 1wmk h LYS 258 N 5.04 0.14 -7.34 2.72 3.64 -1.97 -3.44 116.57 115.37 1wmk h LYS 258 Ca -0.48 -0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.49 1wmk h LYS 258 Cb 1.16 -0.03 0.20 0.00 -0.41 0.00 0.00 32.23 33.15 1wmk h LYS 258 CO 0.52 0.09 0.07 -1.21 -2.27 0.00 0.00 179.45 176.65 1wmk s GLU 259 N -6.18 -1.91 -0.09 1.90 2.02 -1.26 -4.84 118.70 108.33 1wmk s GLU 259 Ca -0.13 -0.17 0.05 0.00 0.02 0.00 0.00 54.97 54.74 1wmk s GLU 259 Cb 0.09 -1.52 -0.09 0.00 0.10 0.00 0.00 34.13 32.70 1wmk s GLU 259 CO 0.69 -4.15 -0.02 0.25 0.02 0.00 0.00 175.26 172.05 1wmk n THR 260 N -5.05 0.61 -0.07 3.63 -2.24 -1.26 -4.33 114.28 105.56 1wmk n THR 260 Ca 0.15 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1wmk n THR 260 Cb 0.60 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.39 0.00 -0.78 3.08 -1.98 -3.20 114.38 111.88 1wmk h ARG 261 Ca -0.24 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1wmk h ARG 261 Cb 1.48 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1wmk h ARG 261 CO -0.01 0.58 0.00 1.17 -1.07 0.00 0.00 179.97 180.64 1wmk n LYS 262 N -4.67 0.21 -2.49 0.04 4.81 -1.26 -4.80 118.16 110.00 1wmk n LYS 262 Ca -0.04 0.18 -0.41 0.00 -0.87 0.00 0.00 58.31 57.17 1wmk n LYS 262 Cb 0.23 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 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 -3.09 4.60 0.38 1.64 3.52 -1.21 -4.98 118.95 119.82 1wmk s ARG 263 Ca 0.11 1.77 -0.28 0.00 -0.13 0.00 0.00 55.73 57.20 1wmk s ARG 263 Cb 0.14 -3.24 -0.11 0.00 -1.56 0.00 0.00 34.95 30.18 1wmk s ARG 263 CO 0.58 0.12 1.49 1.28 -0.81 0.00 0.00 175.30 177.95 1wmk n LEU 264 N 1.91 4.82 -4.91 -0.88 4.32 -1.20 -4.98 117.00 116.09 1wmk n LEU 264 Ca 0.01 1.22 -0.28 0.00 -0.02 0.00 0.00 56.01 56.95 1wmk n LEU 264 Cb 0.45 -1.62 0.05 0.00 -1.62 0.00 0.00 43.42 40.69 1wmk n LEU 264 CO 0.54 0.15 0.65 0.42 -1.22 0.00 0.00 177.39 177.92 1wmk s THR 265 N -1.12 3.01 0.32 -5.08 -4.23 -1.26 -4.87 115.64 102.40 1wmk s THR 265 Ca 0.54 0.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1wmk s THR 265 Cb -0.47 -3.27 0.16 0.00 1.34 0.00 0.00 72.50 70.25 1wmk s THR 265 CO 0.64 -0.32 1.86 -0.29 -0.54 0.00 0.00 174.62 175.97 1wmk h ILE 266 N -0.54 1.20 -0.59 2.99 6.09 -1.95 -1.74 117.51 122.97 1wmk h ILE 266 Ca -0.45 -0.79 -0.03 0.00 -1.37 0.00 0.00 64.86 62.22 1wmk h ILE 266 Cb 1.28 0.86 -0.03 0.00 0.47 0.00 0.00 36.82 39.40 1wmk h ILE 266 CO 0.62 0.28 0.23 1.56 -3.07 0.00 0.00 178.15 177.77 1wmk h GLN 267 N 0.60 0.88 0.00 2.19 7.50 -1.98 -2.43 115.11 121.86 1wmk h GLN 267 Ca 0.13 -0.16 -0.05 0.00 0.50 0.00 0.00 58.65 59.07 1wmk h GLN 267 Cb 0.32 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 1wmk h GLN 267 CO 0.01 0.75 -0.23 0.93 -1.50 0.00 0.00 178.83 178.79 1wmk h GLU 268 N 0.81 0.00 -0.15 1.46 5.08 -1.81 -1.57 114.58 118.41 1wmk h GLU 268 Ca 0.20 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 1wmk h GLU 268 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1wmk h GLU 268 CO -0.02 0.23 -0.56 0.00 -1.00 0.00 0.00 179.01 177.66 1wmk h ALA 269 N 1.77 0.74 -0.01 3.43 0.00 -0.88 -2.72 119.26 121.60 1wmk h ALA 269 Ca -0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 1wmk h ALA 269 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wmk h ALA 269 CO 0.03 0.70 -0.93 -0.07 0.00 0.00 0.00 179.25 178.97 1wmk h LEU 270 N 0.36 0.59 -2.40 0.00 3.38 -1.21 -3.16 115.31 112.86 1wmk h LEU 270 Ca 0.00 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 1wmk h LEU 270 Cb 1.09 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1wmk h LEU 270 CO 0.10 1.26 0.14 0.54 0.09 0.00 0.00 178.44 180.57 1wmk n ARG 271 N -3.77 1.82 -3.78 1.13 1.74 -0.61 -3.71 116.66 109.48 1wmk n ARG 271 Ca -0.07 -1.10 -0.37 0.00 -0.77 0.00 0.00 57.85 55.55 1wmk n ARG 271 Cb 0.83 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 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 -1.36 3.57 0.23 -1.55 2.46 -1.03 -4.94 115.29 112.67 1wmk s HIS 272 Ca 0.20 0.55 -0.15 0.00 0.47 0.00 0.00 55.06 56.14 1wmk s HIS 272 Cb 0.16 -2.06 0.29 0.00 -0.13 0.00 0.00 32.58 30.84 1wmk s HIS 272 CO 0.05 0.60 1.57 -1.35 -2.47 0.00 0.00 174.74 173.14 1wmk h PRO 273 N 5.42 -0.03 -0.44 2.88 0.11 -1.89 0.19 132.00 138.24 1wmk h PRO 273 Ca -0.51 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1wmk h PRO 273 Cb 1.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1wmk h PRO 273 CO 0.63 -0.02 0.29 2.35 -0.21 0.00 0.00 178.00 181.05 1wmk h TRP 274 N -0.03 0.37 0.00 0.65 7.01 -1.94 -2.01 115.95 120.00 1wmk h TRP 274 Ca 0.36 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.32 1wmk h TRP 274 Cb 0.61 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1wmk h TRP 274 CO -0.74 0.21 -0.41 0.82 -2.79 0.00 0.00 178.44 175.52 1wmk h ILE 275 N 0.38 0.55 -3.43 2.65 1.08 -1.41 -3.45 117.51 113.87 1wmk h ILE 275 Ca 0.19 -1.52 -0.62 0.00 -0.39 0.00 0.00 64.86 62.52 1wmk h ILE 275 Cb 0.27 1.15 -0.40 0.00 -3.07 0.00 0.00 36.82 34.77 1wmk h ILE 275 CO -0.04 0.19 -0.74 -0.89 -0.69 0.00 0.00 178.15 175.97 1wmk s THR 276 N -2.06 1.54 0.86 -0.27 2.01 0.53 -5.02 115.64 113.23 1wmk s THR 276 Ca -0.14 -1.77 -0.12 0.00 0.31 0.00 0.00 61.69 59.96 1wmk s THR 276 Cb 0.01 -2.11 0.11 0.00 0.01 0.00 0.00 72.50 70.53 1wmk s THR 276 CO 0.33 -0.58 1.17 -2.84 -0.69 0.00 0.00 174.62 172.01 1wmk s PRO 277 N 1.29 1.52 -0.19 4.92 0.02 -0.77 -3.88 135.00 137.92 1wmk s PRO 277 Ca 0.08 0.16 0.02 0.00 0.02 0.00 0.00 61.00 61.29 1wmk s PRO 277 Cb -0.18 -1.89 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 1wmk s PRO 277 CO -0.16 -1.91 -0.16 0.28 -0.33 0.00 0.00 177.00 174.73 1wmk n VAL 278 N -3.54 1.10 -4.38 3.83 0.31 -1.26 -5.03 118.33 109.36 1wmk n VAL 278 Ca 0.08 -0.44 -0.21 0.00 -0.01 0.00 0.00 64.34 63.76 1wmk n VAL 278 Cb 0.60 -1.14 -0.09 0.00 -0.91 0.00 0.00 33.84 32.30 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 -5.80 1.98 0.36 4.52 -4.77 -1.26 -5.05 116.67 106.64 1wmk s ASP 279 Ca -0.25 -1.63 0.16 0.00 -3.30 0.00 0.00 52.55 47.53 1wmk s ASP 279 Cb 0.07 0.45 0.66 0.00 -1.09 0.00 0.00 42.92 43.01 1wmk s ASP 279 CO 0.46 -0.93 1.75 0.78 0.70 0.00 0.00 175.17 177.92 1wmk h ASN 280 N 2.06 0.00 -0.69 2.11 2.35 -1.98 -2.72 115.58 116.72 1wmk h ASN 280 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1wmk h ASN 280 Cb 1.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.59 1wmk h ASN 280 CO 0.50 0.42 0.44 -0.61 -1.65 0.00 0.00 177.43 176.53 1wmk h GLN 281 N 0.00 0.92 0.18 0.81 -0.00 -2.00 0.32 115.11 115.35 1wmk h GLN 281 Ca -0.00 -0.07 -0.26 0.00 -0.00 0.00 0.00 58.65 58.32 1wmk h GLN 281 Cb 0.85 -0.20 0.03 0.00 0.00 0.00 0.00 27.48 28.16 1wmk h GLN 281 CO 0.05 0.63 -1.12 1.96 0.00 0.00 0.00 178.83 180.35 1wmk h GLN 282 N 0.94 0.43 0.00 1.69 4.20 -1.99 -3.35 115.11 117.04 1wmk h GLN 282 Ca 0.25 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1wmk h GLN 282 Cb -0.07 0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wmk h GLN 282 CO -0.05 1.34 0.00 0.00 -0.67 0.00 0.00 178.83 179.44 1wmk h ALA 283 N 0.14 1.00 0.10 3.87 0.00 -1.06 -2.35 119.26 120.95 1wmk h ALA 283 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1wmk h ALA 283 Cb 1.87 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.69 1wmk h ALA 283 CO 0.21 0.00 -1.13 1.98 0.00 0.00 0.00 179.25 180.31 1wmk h MET 284 N 0.00 0.59 -0.21 0.00 1.85 -0.52 -2.63 114.93 114.00 1wmk h MET 284 Ca 0.00 -0.77 -0.03 0.00 -0.61 0.00 0.00 59.70 58.29 1wmk h MET 284 Cb 0.40 0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.67 1wmk h MET 284 CO 0.00 1.34 0.00 0.28 -0.40 0.00 0.00 176.91 178.13 1wmk h VAL 285 N 0.20 1.25 -0.69 -5.77 2.07 -1.59 -1.16 116.25 110.56 1wmk h VAL 285 Ca -0.17 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.56 1wmk h VAL 285 Cb 1.82 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 1wmk h VAL 285 CO 0.22 0.27 0.45 -0.09 0.02 0.00 0.00 177.57 178.44 1wmk h ARG 286 N 0.14 0.60 0.02 1.57 2.43 -1.52 -2.03 114.38 115.59 1wmk h ARG 286 Ca 0.06 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 1wmk h ARG 286 Cb 0.40 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1wmk h ARG 286 CO 0.01 0.40 -0.74 -0.09 -1.51 0.00 0.00 179.97 178.04 1wmk h ARG 287 N 0.62 0.47 -0.25 0.20 2.43 -1.26 -2.70 114.38 113.88 1wmk h ARG 287 Ca 0.31 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1wmk h ARG 287 Cb 0.40 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1wmk h ARG 287 CO -0.10 1.17 0.00 0.39 -1.51 0.00 0.00 179.97 179.92 1wmk n GLU 288 N -4.12 1.51 -4.05 0.20 1.02 -0.46 -4.68 120.64 110.07 1wmk n GLU 288 Ca -0.11 -0.74 -0.26 0.00 -0.02 0.00 0.00 57.16 56.04 1wmk n GLU 288 Cb 0.74 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.94 5.76 0.28 1.62 0.01 -0.81 -5.04 113.70 114.58 1wmk s SER 289 Ca 0.14 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.38 1wmk s SER 289 Cb 0.07 -1.57 -0.06 0.00 0.21 0.00 0.00 66.02 64.67 1wmk s SER 289 CO 0.09 0.05 0.02 0.68 0.41 0.00 0.00 173.24 174.48 1wmk s VAL 290 N -1.80 1.19 -0.19 3.43 -7.23 -1.21 -1.57 120.40 113.02 1wmk s VAL 290 Ca 0.32 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.36 1wmk s VAL 290 Cb -0.10 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1wmk s VAL 290 CO 0.25 -0.17 0.14 -0.69 -0.31 0.00 0.00 175.10 174.32 1wmk s VAL 291 N -3.31 5.41 -1.08 1.32 1.01 -1.22 -4.55 120.40 117.99 1wmk s VAL 291 Ca 0.32 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 1wmk s VAL 291 Cb 0.07 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 1wmk s VAL 291 CO 0.12 0.45 1.95 0.21 0.00 0.00 0.00 175.10 177.83 1wmk s ASN 292 N 0.26 5.03 0.47 3.32 3.04 -1.02 -4.77 114.94 121.28 1wmk s ASN 292 Ca 0.09 -1.30 0.26 0.00 0.04 0.00 0.00 52.86 51.95 1wmk s ASN 292 Cb -0.11 -2.58 1.10 0.00 -1.54 0.00 0.00 41.25 38.11 1wmk s ASN 292 CO -0.01 -3.01 1.90 -0.07 -3.04 0.00 0.00 177.10 172.87 1wmk h LEU 293 N 17.93 0.00 0.42 3.21 -0.00 -1.88 -2.12 115.31 132.87 1wmk h LEU 293 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1wmk h LEU 293 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 1wmk h LEU 293 CO 1.21 0.17 -0.30 -0.33 -0.00 0.00 0.00 178.44 179.19 1wmk h GLU 294 N 0.00 -0.68 -0.27 1.13 5.08 -1.92 -1.41 114.58 116.50 1wmk h GLU 294 Ca -0.00 0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1wmk h GLU 294 Cb 0.64 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1wmk h GLU 294 CO 0.02 -0.46 -0.40 -0.97 -1.00 0.00 0.00 179.01 176.20 1wmk h ASN 295 N -0.71 0.83 -0.57 1.42 -1.24 -1.76 -2.74 115.58 110.80 1wmk h ASN 295 Ca -0.04 -0.51 0.04 0.00 0.71 0.00 0.00 56.30 56.50 1wmk h ASN 295 Cb 0.60 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1wmk h ASN 295 CO 0.02 1.18 0.38 0.15 -1.29 0.00 0.00 177.43 177.86 1wmk h PHE 296 N 0.50 0.61 -0.02 0.67 3.57 -0.86 0.11 116.94 121.51 1wmk h PHE 296 Ca 0.03 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1wmk h PHE 296 Cb 1.00 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.55 1wmk h PHE 296 CO 0.08 0.35 -0.61 -0.09 -2.23 0.00 0.00 178.31 175.80 1wmk h ARG 297 N 0.62 0.45 -0.41 1.11 2.43 -1.24 -2.28 114.38 115.06 1wmk h ARG 297 Ca 0.23 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 1wmk h ARG 297 Cb 0.15 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1wmk h ARG 297 CO -0.06 1.11 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.27 1wmk h LYS 298 N -0.03 0.67 0.11 0.20 3.64 -1.06 -1.61 116.57 118.50 1wmk h LYS 298 Ca -0.07 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1wmk h LYS 298 Cb 1.30 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1wmk h LYS 298 CO 0.12 0.70 -0.69 1.96 -2.27 0.00 0.00 179.45 179.27 1wmk h GLN 299 N 0.63 0.28 0.00 1.90 1.08 -0.89 -3.31 115.11 114.81 1wmk h GLN 299 Ca 0.13 -0.44 -0.04 0.00 -1.45 0.00 0.00 58.65 56.84 1wmk h GLN 299 Cb 0.42 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1wmk h GLN 299 CO 0.02 1.19 -0.21 -0.92 -0.95 0.00 0.00 178.83 177.96 1wmk h TYR 300 N -0.40 0.00 -0.59 2.96 3.20 -1.40 -2.88 116.97 117.85 1wmk h TYR 300 Ca -0.12 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 1wmk h TYR 300 Cb 1.52 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 1wmk h TYR 300 CO 0.20 0.21 0.14 0.28 -1.64 0.00 0.00 178.16 177.35 1wmk h VAL 301 N 0.00 1.24 0.00 1.81 2.07 -1.38 -2.97 116.25 117.02 1wmk h VAL 301 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1wmk h VAL 301 Cb 0.58 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1wmk h VAL 301 CO 0.03 0.32 0.00 0.54 0.02 0.00 0.00 177.57 178.48 1wmk n ARG 302 N -4.26 0.36 -1.32 1.57 1.74 -1.09 -3.23 116.66 110.44 1wmk n ARG 302 Ca 0.04 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 1wmk n ARG 302 Cb 0.23 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.22 2.47 0.00 5.56 1.74 -1.12 -5.15 116.66 118.93 1wmk n ARG 303 Ca 0.11 -2.86 0.00 0.00 -0.77 0.00 0.00 57.85 54.33 1wmk n ARG 303 Cb 0.14 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1wmk n ARG 303 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65