#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 3.80 0.04 3.49 0.04 -1.26 -4.95 135.00 136.17 1wmk s PRO 3 Ca 0.00 -1.83 -0.00 0.00 0.04 0.00 0.00 61.00 59.20 1wmk s PRO 3 Cb 0.00 -5.22 -0.03 0.00 0.04 0.00 0.00 34.50 29.28 1wmk s PRO 3 CO 0.00 -2.01 -0.03 -0.06 0.04 0.00 0.00 177.00 174.94 1wmk s PHE 4 N 3.43 0.47 -0.14 0.56 0.08 -1.26 -5.11 117.98 116.01 1wmk s PHE 4 Ca 0.44 -0.88 -0.07 0.00 0.12 0.00 0.00 56.93 56.54 1wmk s PHE 4 Cb -0.01 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 1wmk s PHE 4 CO -0.03 -0.30 0.11 0.15 -0.10 0.00 0.00 175.22 175.04 1wmk s LYS 5 N -3.11 3.60 -0.53 0.44 1.02 -1.26 -5.01 119.74 114.89 1wmk s LYS 5 Ca -0.00 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 55.78 1wmk s LYS 5 Cb 0.02 -3.18 0.47 0.00 -0.52 0.00 0.00 37.83 34.62 1wmk s LYS 5 CO -0.07 0.60 1.76 0.94 -0.92 0.00 0.00 175.35 177.66 1wmk n GLN 6 N 2.53 2.86 -4.28 1.68 -0.06 -1.26 -3.86 117.38 114.99 1wmk n GLN 6 Ca -0.18 -3.50 -0.31 0.00 -2.00 0.00 0.00 57.00 51.00 1wmk n GLN 6 Cb 0.54 -2.25 -0.09 0.00 -4.06 0.00 0.00 30.24 24.38 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 -3.69 2.54 0.07 3.69 1.11 -1.26 -5.09 119.66 117.03 1wmk s GLN 7 Ca 0.59 -0.78 -0.31 0.00 0.01 0.00 0.00 55.36 54.87 1wmk s GLN 7 Cb 0.47 -2.52 -0.07 0.00 -1.01 0.00 0.00 33.01 29.88 1wmk s GLN 7 CO 0.01 0.57 1.45 0.15 0.01 0.00 0.00 175.29 177.48 1wmk s LYS 8 N -1.85 4.28 0.51 2.91 1.02 -1.26 -4.77 119.74 120.58 1wmk s LYS 8 Ca 0.21 2.10 0.31 0.00 0.02 0.00 0.00 55.97 58.60 1wmk s LYS 8 Cb -0.11 -3.40 1.12 0.00 -0.52 0.00 0.00 37.83 34.91 1wmk s LYS 8 CO 0.13 -0.54 1.89 -0.24 -0.92 0.00 0.00 175.35 175.66 1wmk h VAL 9 N 4.55 0.00 -0.05 3.17 3.04 -1.95 -2.89 116.25 122.11 1wmk h VAL 9 Ca -0.41 -0.61 -0.15 0.00 -1.01 0.00 0.00 66.70 64.52 1wmk h VAL 9 Cb 1.20 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 1wmk h VAL 9 CO 0.89 0.00 -0.64 -0.33 -1.01 0.00 0.00 177.57 176.48 1wmk h GLU 10 N 0.00 0.21 0.00 4.17 3.07 -1.91 -1.99 114.58 118.13 1wmk h GLU 10 Ca 0.00 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 1wmk h GLU 10 Cb 0.62 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1wmk h GLU 10 CO 0.00 0.78 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.79 1wmk h ASP 11 N 0.15 0.00 0.00 1.42 3.32 -1.91 -3.27 116.42 116.13 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 1.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 1wmk h ASP 11 CO 0.10 0.15 -1.99 0.49 -1.72 0.00 0.00 179.24 176.27 1wmk n PHE 12 N -3.41 0.00 -4.56 4.55 3.01 -1.19 -4.95 117.46 110.91 1wmk n PHE 12 Ca -0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.23 1wmk n PHE 12 Cb 0.34 -0.70 -0.16 0.00 -0.01 0.00 0.00 39.48 38.95 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 -2.39 1.24 -0.33 1.38 2.02 -0.75 -1.40 117.35 117.10 1wmk s TYR 13 Ca -0.07 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.13 1wmk s TYR 13 Cb 0.05 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1wmk s TYR 13 CO 0.60 -0.12 0.50 -0.51 -1.57 0.00 0.00 175.55 174.45 1wmk s ASP 14 N 0.11 6.32 0.39 2.29 1.01 0.09 -4.40 116.67 122.48 1wmk s ASP 14 Ca -0.03 0.04 -0.17 0.00 0.71 0.00 0.00 52.55 53.10 1wmk s ASP 14 Cb -0.09 -2.26 -0.09 0.00 1.01 0.00 0.00 42.92 41.48 1wmk s ASP 14 CO 0.01 -0.43 0.84 -0.63 0.21 0.00 0.00 175.17 175.17 1wmk s ILE 15 N 2.34 4.57 0.00 0.77 1.01 -1.26 -1.72 121.20 126.91 1wmk s ILE 15 Ca 0.18 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.98 1wmk s ILE 15 Cb -0.16 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1wmk s ILE 15 CO 0.13 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.37 1wmk n GLY 16 N -0.65 4.46 3.74 6.18 0.00 -0.73 -4.97 105.19 113.22 1wmk n GLY 16 Ca 0.05 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 3.40 4.20 -0.53 1.61 2.12 -1.22 -4.70 118.70 123.58 1wmk s GLU 17 Ca 0.00 2.43 -0.28 0.00 0.36 0.00 0.00 54.97 57.48 1wmk s GLU 17 Cb 0.00 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.31 1wmk s GLU 17 CO 0.00 -0.56 1.47 -2.00 -0.54 0.00 0.00 175.26 173.63 1wmk s GLU 18 N 0.13 3.29 -0.00 4.30 2.12 -1.26 0.37 118.70 127.66 1wmk s GLU 18 Ca 0.65 0.61 -0.25 0.00 0.36 0.00 0.00 54.97 56.33 1wmk s GLU 18 Cb -0.45 -4.13 -0.19 0.00 0.26 0.00 0.00 34.13 29.62 1wmk s GLU 18 CO 0.40 -1.94 1.31 1.25 -0.54 0.00 0.00 175.26 175.75 1wmk h LEU 19 N 13.26 -0.07 -6.20 2.70 5.85 -1.62 -3.47 115.31 125.76 1wmk h LEU 19 Ca -0.27 -0.36 0.23 0.00 0.84 0.00 0.00 57.88 58.32 1wmk h LEU 19 Cb 1.10 0.02 -0.25 0.00 0.37 0.00 0.00 40.66 41.90 1wmk h LEU 19 CO 1.16 0.33 0.36 -0.83 -0.34 0.00 0.00 178.44 179.12 1wmk s GLY 20 N -2.96 0.02 -0.02 3.75 0.00 -1.13 -5.07 107.32 101.90 1wmk s GLY 20 Ca -0.15 3.31 -0.17 0.00 0.00 0.00 0.00 44.72 47.71 1wmk s GLY 20 CO 0.64 3.42 0.47 -1.35 0.00 0.00 0.00 173.10 176.28 1wmk s SER 21 N 2.36 6.82 0.00 1.64 1.04 -1.26 -3.37 113.70 120.93 1wmk s SER 21 Ca -0.01 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1wmk s SER 21 Cb -0.04 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wmk s SER 21 CO -0.15 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1wmk n GLY 22 N 2.28 1.03 1.26 7.32 0.00 -0.51 -4.96 105.19 111.61 1wmk n GLY 22 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.12 1.61 6.02 -1.26 -4.83 117.38 118.80 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 -0.38 0.17 0.00 1.02 0.00 0.00 30.24 31.05 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 -3.13 0.31 -3.82 1.08 3.72 -1.26 -4.94 117.46 109.42 1wmk n PHE 24 Ca 0.00 -0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.12 1wmk n PHE 24 Cb 0.22 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.66 -0.52 -0.15 4.37 0.00 -1.26 -2.55 121.76 119.99 1wmk s ALA 25 Ca 0.34 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1wmk s ALA 25 Cb 0.21 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1wmk s ALA 25 CO 0.31 -0.21 -0.20 0.42 0.00 0.00 0.00 175.76 176.07 1wmk s ILE 26 N -1.15 1.98 -0.25 0.00 1.09 -0.81 -1.43 121.20 120.63 1wmk s ILE 26 Ca -0.12 -0.92 -0.12 0.00 -1.10 0.00 0.00 60.65 58.40 1wmk s ILE 26 Cb -0.06 -1.77 -0.05 0.00 -1.06 0.00 0.00 42.46 39.53 1wmk s ILE 26 CO 0.02 0.53 0.21 -0.69 -0.10 0.00 0.00 174.94 174.91 1wmk s VAL 27 N 1.00 5.32 -0.09 2.92 1.01 -1.22 -1.78 120.40 127.57 1wmk s VAL 27 Ca -0.03 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1wmk s VAL 27 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1wmk s VAL 27 CO -0.06 0.30 -0.17 -0.54 0.00 0.00 0.00 175.10 174.64 1wmk s LYS 28 N 1.30 2.24 -0.30 2.72 1.02 0.10 -1.56 119.74 125.25 1wmk s LYS 28 Ca 0.09 -0.59 -0.28 0.00 0.02 0.00 0.00 55.97 55.21 1wmk s LYS 28 Cb -0.14 -1.79 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 1wmk s LYS 28 CO 0.07 0.06 2.29 1.17 -0.92 0.00 0.00 175.35 178.01 1wmk n LYS 29 N 3.80 1.66 -0.62 1.68 4.81 0.16 -1.23 118.16 128.42 1wmk n LYS 29 Ca -0.21 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1wmk n LYS 29 Cb 0.52 -3.29 0.00 0.00 0.02 0.00 0.00 35.03 32.28 1wmk n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wmk s ARG 31 N -0.75 0.94 0.27 0.00 3.52 -0.70 -3.31 118.95 118.91 1wmk s ARG 31 Ca 0.00 0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 55.97 1wmk s ARG 31 Cb 0.00 0.45 -0.09 0.00 -1.56 0.00 0.00 34.95 33.75 1wmk s ARG 31 CO 0.00 -0.21 0.91 -2.00 -0.81 0.00 0.00 175.30 173.19 1wmk s GLU 32 N -0.36 4.66 0.01 5.12 2.12 -1.10 -0.74 118.70 128.41 1wmk s GLU 32 Ca -0.05 1.33 -0.19 0.00 0.36 0.00 0.00 54.97 56.42 1wmk s GLU 32 Cb -0.03 -3.03 -0.23 0.00 0.26 0.00 0.00 34.13 31.11 1wmk s GLU 32 CO 0.05 0.41 1.12 0.87 -0.54 0.00 0.00 175.26 177.17 1wmk h LYS 33 N 3.67 0.44 -0.24 4.30 1.57 -1.60 -1.94 116.57 122.77 1wmk h LYS 33 Ca -0.46 -0.46 -0.19 0.00 -1.87 0.00 0.00 60.65 57.66 1wmk h LYS 33 Cb 1.20 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1wmk h LYS 33 CO 0.66 1.11 -0.62 0.66 -0.57 0.00 0.00 179.45 180.70 1wmk h SER 34 N -0.05 0.93 0.00 0.86 4.64 -1.94 -3.36 113.55 114.63 1wmk h SER 34 Ca -0.07 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1wmk h SER 34 Cb 1.32 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1wmk h SER 34 CO 0.12 1.32 -1.63 0.35 -0.87 0.00 0.00 176.83 176.13 1wmk n THR 35 N -3.98 0.01 -1.23 2.95 -2.24 -1.26 -5.01 114.28 103.52 1wmk n THR 35 Ca -0.05 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.33 1wmk n THR 35 Cb 0.66 0.18 -0.03 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 1.73 0.96 3.73 3.38 0.00 -0.73 -4.99 105.19 109.27 1wmk n GLY 36 Ca -0.03 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.80 4.42 -0.09 0.99 1.43 -1.26 -4.78 118.68 117.60 1wmk s LEU 37 Ca 0.00 1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 1wmk s LEU 37 Cb 0.00 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1wmk s LEU 37 CO 0.00 -0.05 1.66 -1.61 0.23 0.00 0.00 176.35 176.58 1wmk s GLU 38 N 0.23 4.10 0.14 1.70 0.41 -1.26 -2.72 118.70 121.30 1wmk s GLU 38 Ca 0.41 2.09 0.01 0.00 -0.41 0.00 0.00 54.97 57.07 1wmk s GLU 38 Cb -0.20 -4.00 -0.04 0.00 -1.78 0.00 0.00 34.13 28.10 1wmk s GLU 38 CO 0.23 -0.94 0.01 0.71 -0.49 0.00 0.00 175.26 174.78 1wmk s TYR 39 N 4.32 1.02 0.15 1.61 2.02 -1.21 -4.50 117.35 120.75 1wmk s TYR 39 Ca 0.73 -1.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1wmk s TYR 39 Cb -0.32 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 1wmk s TYR 39 CO 0.29 -0.31 0.29 0.00 -1.57 0.00 0.00 175.55 174.25 1wmk s ALA 40 N -3.79 3.96 -0.17 3.71 0.00 -0.87 -0.92 121.76 123.69 1wmk s ALA 40 Ca 0.21 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1wmk s ALA 40 Cb 0.07 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.44 1wmk s ALA 40 CO 0.01 0.56 0.07 0.00 0.00 0.00 0.00 175.76 176.40 1wmk s ALA 41 N -1.73 0.54 -0.76 0.00 0.00 -0.37 -1.12 121.76 118.33 1wmk s ALA 41 Ca 0.35 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 1wmk s ALA 41 Cb -0.11 -1.04 0.19 0.00 0.00 0.00 0.00 23.12 22.17 1wmk s ALA 41 CO 0.28 -1.12 0.71 0.21 0.00 0.00 0.00 175.76 175.84 1wmk s LYS 42 N 2.08 3.44 -0.55 0.00 2.20 0.07 -0.73 119.74 126.25 1wmk s LYS 42 Ca 0.02 -2.24 -0.27 0.00 -0.36 0.00 0.00 55.97 53.11 1wmk s LYS 42 Cb -0.16 -4.41 -0.01 0.00 -1.51 0.00 0.00 37.83 31.74 1wmk s LYS 42 CO -0.08 -1.32 1.69 -0.06 -0.36 0.00 0.00 175.35 175.22 1wmk s PHE 43 N 0.63 1.90 -0.20 4.03 0.40 -0.73 -1.82 117.98 122.18 1wmk s PHE 43 Ca 0.15 0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 56.97 1wmk s PHE 43 Cb -0.15 -4.21 -0.05 0.00 0.51 0.00 0.00 43.02 39.12 1wmk s PHE 43 CO -0.06 -2.31 0.26 0.42 0.70 0.00 0.00 175.22 174.23 1wmk s ILE 44 N 7.63 5.30 -0.06 0.64 1.01 -0.82 -1.93 121.20 132.98 1wmk s ILE 44 Ca 0.63 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 1wmk s ILE 44 Cb -0.14 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1wmk s ILE 44 CO 0.24 0.34 1.33 -0.75 0.00 0.00 0.00 174.94 176.10 1wmk s LYS 45 N 0.90 4.28 0.47 2.79 2.47 -1.06 -0.83 119.74 128.76 1wmk s LYS 45 Ca 0.13 1.83 -0.20 0.00 -1.56 0.00 0.00 55.97 56.18 1wmk s LYS 45 Cb -0.13 -3.65 -0.09 0.00 -1.46 0.00 0.00 37.83 32.50 1wmk s LYS 45 CO 0.04 -0.59 0.99 0.21 0.16 0.00 0.00 175.35 176.17 1wmk s LYS 46 N 2.73 3.99 0.57 4.03 2.20 -0.72 -1.61 119.74 130.93 1wmk s LYS 46 Ca 0.60 1.21 -0.09 0.00 -0.36 0.00 0.00 55.97 57.33 1wmk s LYS 46 Cb -0.27 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1wmk s LYS 46 CO 0.23 -0.25 0.94 0.50 -0.36 0.00 0.00 175.35 176.41 1wmk s ARG 47 N -3.33 3.58 0.00 4.03 3.52 -0.96 -4.51 118.95 121.28 1wmk s ARG 47 Ca 0.64 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1wmk s ARG 47 Cb -0.12 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1wmk s ARG 47 CO 0.19 -0.44 0.09 1.04 -0.81 0.00 0.00 175.30 175.37 1wmk n GLN 48 N -2.57 0.00 0.02 5.12 1.13 -1.26 -4.98 117.38 114.84 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 -0.47 0.00 0.00 0.11 0.00 0.00 30.24 30.42 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 -0.34 -0.11 0.00 1.08 7.64 -1.26 -5.12 113.62 115.51 1wmk n SER 49 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wmk n SER 49 Cb 0.00 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.59 0.00 -1.22 1.43 5.12 -1.26 -4.97 116.66 113.16 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 5.85 -2.08 7.54 0.00 -1.26 -4.95 120.51 122.62 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 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 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 0.08 7.28 0.23 0.00 0.01 -1.26 -4.95 113.70 115.09 1wmk s SER 52 Ca 0.47 2.07 0.05 0.00 1.31 0.00 0.00 55.95 59.85 1wmk s SER 52 Cb 0.33 -2.60 0.22 0.00 0.21 0.00 0.00 66.02 64.18 1wmk s SER 52 CO -0.11 -0.21 1.54 0.03 0.41 0.00 0.00 173.24 174.89 1wmk h ARG 53 N 5.15 0.20 -5.50 12.44 3.08 -2.04 -3.44 114.38 124.27 1wmk h ARG 53 Ca -0.44 -0.15 -0.64 0.00 0.07 0.00 0.00 59.98 58.82 1wmk h ARG 53 Cb 1.21 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 31.18 1wmk h ARG 53 CO 0.72 0.78 -0.51 1.03 -1.07 0.00 0.00 179.97 180.92 1wmk s ARG 54 N -3.65 3.71 0.00 0.04 0.52 -1.26 -5.02 118.95 113.29 1wmk s ARG 54 Ca -0.03 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1wmk s ARG 54 Cb 0.12 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1wmk s ARG 54 CO 0.80 0.54 0.00 0.41 0.02 0.00 0.00 175.30 177.07 1wmk n GLY 55 N 2.73 2.72 3.79 -3.53 0.00 -1.26 -4.26 105.19 105.37 1wmk n GLY 55 Ca -0.18 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.11 4.47 0.79 1.61 1.01 -0.63 -4.63 120.40 120.90 1wmk s VAL 56 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1wmk s VAL 56 Cb 0.00 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1wmk s VAL 56 CO 0.00 -0.04 0.99 -1.20 0.00 0.00 0.00 175.10 174.85 1wmk n SER 57 N -0.10 0.34 0.16 3.32 7.64 -1.26 -2.27 113.62 121.45 1wmk n SER 57 Ca -0.08 0.58 0.03 0.00 1.01 0.00 0.00 58.87 60.41 1wmk n SER 57 Cb 0.54 -1.42 0.24 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 -0.74 0.00 0.14 1.43 9.65 -1.98 -2.48 114.38 120.40 1wmk h ARG 58 Ca -0.46 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.11 1wmk h ARG 58 Cb 1.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1wmk h ARG 58 CO 0.45 0.49 -1.48 1.49 2.80 0.00 0.00 179.97 183.71 1wmk h GLU 59 N 0.00 0.29 0.00 0.20 4.81 -2.00 -3.33 114.58 114.56 1wmk h GLU 59 Ca -0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wmk h GLU 59 Cb 1.04 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1wmk h GLU 59 CO 0.06 1.19 -0.27 1.49 -0.73 0.00 0.00 179.01 180.75 1wmk h GLU 60 N 0.08 0.00 0.12 1.92 4.81 -1.93 -3.04 114.58 116.54 1wmk h GLU 60 Ca -0.23 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.72 1wmk h GLU 60 Cb 2.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.41 1wmk h GLU 60 CO 0.18 0.00 -1.36 0.97 -0.73 0.00 0.00 179.01 178.08 1wmk h ILE 61 N 0.00 1.36 0.00 2.32 6.09 -1.59 -3.05 117.51 122.64 1wmk h ILE 61 Ca 0.00 -2.96 0.00 0.00 -1.37 0.00 0.00 64.86 60.53 1wmk h ILE 61 Cb 0.84 2.87 0.00 0.00 0.47 0.00 0.00 36.82 41.00 1wmk h ILE 61 CO 0.00 0.86 0.00 -1.84 -3.07 0.00 0.00 178.15 174.10 1wmk n GLU 62 N -3.50 0.13 -0.03 2.19 0.28 -1.24 -2.93 120.64 115.54 1wmk n GLU 62 Ca -0.11 0.01 -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 0.10 -0.67 3.44 2.43 -1.54 -2.70 114.38 115.45 1wmk h ARG 63 Ca 0.00 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1wmk h ARG 63 Cb 0.42 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1wmk h ARG 63 CO 0.00 1.03 0.44 1.49 -1.51 0.00 0.00 179.97 181.42 1wmk h GLU 64 N -0.75 0.71 -0.07 0.20 4.81 -1.56 -2.61 114.58 115.31 1wmk h GLU 64 Ca -0.04 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1wmk h GLU 64 Cb 1.14 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1wmk h GLU 64 CO 0.05 0.47 -0.08 0.28 -0.73 0.00 0.00 179.01 178.99 1wmk h VAL 65 N 0.73 1.38 -0.24 0.32 2.07 -1.65 -2.69 116.25 116.18 1wmk h VAL 65 Ca 0.28 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1wmk h VAL 65 Cb 0.18 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1wmk h VAL 65 CO -0.08 0.35 0.23 -1.28 0.02 0.00 0.00 177.57 176.81 1wmk h SER 66 N -0.25 0.00 0.08 0.57 0.87 -1.13 -0.02 113.55 113.67 1wmk h SER 66 Ca 0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1wmk h SER 66 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1wmk h SER 66 CO 0.02 0.00 -0.04 0.40 -0.53 0.00 0.00 176.83 176.68 1wmk h ILE 67 N 0.00 1.11 0.00 2.23 1.08 -1.45 -3.26 117.51 117.22 1wmk h ILE 67 Ca 0.11 -1.40 -0.03 0.00 -0.39 0.00 0.00 64.86 63.15 1wmk h ILE 67 Cb 0.57 1.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1wmk h ILE 67 CO -0.00 0.31 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.57 1wmk h LEU 68 N -0.84 0.00 -0.51 1.44 3.38 -0.74 -1.34 115.31 116.70 1wmk h LEU 68 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1wmk h LEU 68 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wmk h LEU 68 CO 0.02 0.12 -0.58 0.03 0.09 0.00 0.00 178.44 178.12 1wmk h ARG 69 N 0.00 0.51 0.00 1.13 3.08 -1.22 -3.10 114.38 114.77 1wmk h ARG 69 Ca -0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1wmk h ARG 69 Cb 0.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1wmk h ARG 69 CO 0.02 0.94 0.00 1.04 -1.07 0.00 0.00 179.97 180.90 1wmk n GLN 70 N -3.94 0.30 -3.58 0.04 6.02 -0.55 -4.71 117.38 110.97 1wmk n GLN 70 Ca -0.03 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 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 -2.66 4.36 -0.41 5.09 1.01 -0.96 -5.00 120.40 121.83 1wmk s VAL 71 Ca 0.23 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1wmk s VAL 71 Cb 0.18 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 33.05 1wmk s VAL 71 CO 0.42 -0.47 0.16 -0.76 0.00 0.00 0.00 175.10 174.45 1wmk s LEU 72 N 1.46 3.64 -0.03 3.92 1.43 -1.26 -4.68 118.68 123.16 1wmk s LEU 72 Ca 0.03 -2.40 -0.25 0.00 -1.03 0.00 0.00 54.13 50.48 1wmk s LEU 72 Cb -0.23 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1wmk s LEU 72 CO 0.03 -0.32 0.54 -2.28 0.23 0.00 0.00 176.35 174.55 1wmk s HIS 73 N 0.59 -0.48 0.23 0.29 2.46 -1.26 -5.07 115.29 112.05 1wmk s HIS 73 Ca 0.14 0.79 0.08 0.00 0.47 0.00 0.00 55.06 56.53 1wmk s HIS 73 Cb -0.22 0.29 0.21 0.00 -0.13 0.00 0.00 32.58 32.74 1wmk s HIS 73 CO -0.07 -0.53 1.53 1.12 -2.47 0.00 0.00 174.74 174.31 1wmk h HIS 74 N 3.30 0.11 -0.01 3.88 2.07 -1.97 -3.25 115.15 119.27 1wmk h HIS 74 Ca -0.28 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 1wmk h HIS 74 Cb 1.16 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1wmk h HIS 74 CO 0.43 0.75 -0.28 -1.71 -3.07 0.00 0.00 177.93 174.05 1wmk n ASN 75 N -3.75 1.32 -4.46 3.10 4.05 -1.26 -4.84 115.26 109.41 1wmk n ASN 75 Ca -0.02 -1.10 -0.23 0.00 0.45 0.00 0.00 54.58 53.69 1wmk n ASN 75 Cb 0.68 0.19 -0.10 0.00 1.23 0.00 0.00 39.78 41.78 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 -2.44 2.21 0.75 3.44 -7.23 -1.23 -2.56 120.40 113.33 1wmk s VAL 76 Ca 0.24 -2.30 -0.13 0.00 -1.81 0.00 0.00 61.98 57.99 1wmk s VAL 76 Cb 0.19 -2.36 0.05 0.00 0.56 0.00 0.00 36.38 34.82 1wmk s VAL 76 CO 0.51 -0.37 1.12 -0.51 -0.31 0.00 0.00 175.10 175.54 1wmk s ILE 77 N -2.66 3.02 -0.08 -0.62 2.07 -0.87 -4.62 121.20 117.43 1wmk s ILE 77 Ca 0.29 0.40 0.02 0.00 -1.41 0.00 0.00 60.65 59.95 1wmk s ILE 77 Cb -0.02 -2.85 0.01 0.00 0.13 0.00 0.00 42.46 39.74 1wmk s ILE 77 CO 0.14 -0.37 -0.13 0.42 -1.91 0.00 0.00 174.94 173.09 1wmk s THR 78 N -2.56 1.27 -0.08 4.00 -4.23 -1.26 -4.79 115.64 107.98 1wmk s THR 78 Ca 0.65 -0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 1wmk s THR 78 Cb -0.20 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 1wmk s THR 78 CO 0.50 0.39 1.12 -0.22 -0.54 0.00 0.00 174.62 175.87 1wmk s LEU 79 N 0.76 4.26 -0.11 4.79 2.96 -1.26 -1.92 118.68 128.16 1wmk s LEU 79 Ca -0.12 1.68 -0.04 0.00 -0.22 0.00 0.00 54.13 55.43 1wmk s LEU 79 Cb -0.16 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1wmk s LEU 79 CO 0.03 -0.53 -0.07 -0.74 -1.32 0.00 0.00 176.35 173.71 1wmk h HIS 80 N 7.33 0.00 -3.68 5.38 -0.00 -1.35 -3.48 115.15 119.34 1wmk h HIS 80 Ca -0.32 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.94 1wmk h HIS 80 Cb 1.15 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 28.40 1wmk h HIS 80 CO 0.73 0.00 -0.42 0.34 -0.00 0.00 0.00 177.93 178.58 1wmk s ASP 81 N -5.42 0.09 -0.15 3.26 3.68 -0.93 -5.02 116.67 112.18 1wmk s ASP 81 Ca -0.06 -0.48 0.01 0.00 2.13 0.00 0.00 52.55 54.15 1wmk s ASP 81 Cb 0.01 0.29 0.02 0.00 -1.45 0.00 0.00 42.92 41.78 1wmk s ASP 81 CO 0.08 -0.59 -0.17 -0.69 0.13 0.00 0.00 175.17 173.93 1wmk s VAL 82 N -2.91 1.79 0.07 1.11 1.01 -1.26 -0.60 120.40 119.61 1wmk s VAL 82 Ca -0.02 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1wmk s VAL 82 Cb 0.01 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1wmk s VAL 82 CO -0.06 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.01 1wmk s TYR 83 N 1.26 2.44 0.03 5.22 1.51 -0.56 -4.25 117.35 123.00 1wmk s TYR 83 Ca 0.02 -0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1wmk s TYR 83 Cb -0.14 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1wmk s TYR 83 CO -0.09 0.26 0.10 -1.83 -1.11 0.00 0.00 175.55 172.87 1wmk s GLU 84 N -1.61 0.55 0.03 -0.62 -1.05 -1.25 -1.40 118.70 113.33 1wmk s GLU 84 Ca 0.14 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1wmk s GLU 84 Cb -0.10 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1wmk s GLU 84 CO 0.05 -0.13 0.00 0.27 0.95 0.00 0.00 175.26 176.40 1wmk n ASN 85 N 0.98 0.08 0.04 0.83 6.94 -1.15 -4.69 115.26 118.29 1wmk n ASN 85 Ca -0.20 0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.40 1wmk n ASN 85 Cb 0.58 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 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 -2.64 0.00 0.23 -3.83 0.63 -1.26 -4.97 116.66 104.82 1wmk n ARG 86 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 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 0.54 -2.81 5.15 2.02 -1.97 -3.45 112.91 112.39 1wmk h THR 87 Ca 0.00 -0.34 -0.46 0.00 0.77 0.00 0.00 66.41 66.37 1wmk h THR 87 Cb 0.00 0.70 -0.14 0.00 -1.74 0.00 0.00 68.15 66.96 1wmk h THR 87 CO 0.00 0.06 -0.72 -1.81 0.37 0.00 0.00 175.52 173.42 1wmk s ASP 88 N -4.82 2.62 -0.32 4.18 1.01 -1.26 -1.76 116.67 116.32 1wmk s ASP 88 Ca -0.15 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.04 1wmk s ASP 88 Cb 0.03 -0.14 0.07 0.00 1.01 0.00 0.00 42.92 43.89 1wmk s ASP 88 CO 0.56 -0.22 0.02 -0.69 0.21 0.00 0.00 175.17 175.06 1wmk s VAL 89 N -2.98 2.71 -0.13 -1.27 1.01 -0.01 -2.94 120.40 116.79 1wmk s VAL 89 Ca 0.25 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.29 1wmk s VAL 89 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1wmk s VAL 89 CO 0.08 -0.30 0.43 0.54 0.00 0.00 0.00 175.10 175.85 1wmk s VAL 90 N 1.12 5.22 -0.27 2.92 0.11 -0.50 -1.94 120.40 127.06 1wmk s VAL 90 Ca -0.00 0.85 -0.07 0.00 -2.93 0.00 0.00 61.98 59.82 1wmk s VAL 90 Cb -0.20 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 30.87 1wmk s VAL 90 CO -0.04 0.34 0.08 -0.76 -3.33 0.00 0.00 175.10 171.39 1wmk s LEU 91 N 0.57 3.65 -0.43 2.54 1.43 -0.76 -1.50 118.68 124.19 1wmk s LEU 91 Ca 0.23 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.58 1wmk s LEU 91 Cb -0.15 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1wmk s LEU 91 CO 0.09 -0.12 1.04 -0.63 0.23 0.00 0.00 176.35 176.96 1wmk s ILE 92 N 1.56 4.38 0.48 -0.59 1.09 0.23 -0.75 121.20 127.58 1wmk s ILE 92 Ca 0.05 1.20 0.06 0.00 -1.10 0.00 0.00 60.65 60.86 1wmk s ILE 92 Cb -0.16 -4.49 -0.00 0.00 -1.06 0.00 0.00 42.46 36.75 1wmk s ILE 92 CO 0.03 -0.80 0.33 -0.76 -0.10 0.00 0.00 174.94 173.64 1wmk s LEU 93 N 4.00 2.98 -0.15 2.97 1.43 -0.27 -1.00 118.68 128.64 1wmk s LEU 93 Ca 0.43 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1wmk s LEU 93 Cb -0.09 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1wmk s LEU 93 CO 0.25 -0.84 1.46 -0.70 0.23 0.00 0.00 176.35 176.76 1wmk s GLU 94 N -4.14 4.10 0.16 1.70 2.12 -0.81 -2.05 118.70 119.79 1wmk s GLU 94 Ca 0.39 1.80 -0.32 0.00 0.36 0.00 0.00 54.97 57.21 1wmk s GLU 94 Cb -0.01 -3.90 -0.10 0.00 0.26 0.00 0.00 34.13 30.38 1wmk s GLU 94 CO 0.23 -0.90 1.62 -1.17 -0.54 0.00 0.00 175.26 174.49 1wmk s LEU 95 N 4.09 4.37 -0.13 2.70 2.96 -1.26 -4.72 118.68 126.69 1wmk s LEU 95 Ca 0.64 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 57.21 1wmk s LEU 95 Cb -0.26 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.86 1wmk s LEU 95 CO 0.23 -0.87 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.60 1wmk s VAL 96 N 1.33 1.29 -0.41 1.68 1.01 -1.26 -4.95 120.40 119.09 1wmk s VAL 96 Ca 0.72 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1wmk s VAL 96 Cb -0.45 -1.25 0.22 0.00 0.00 0.00 0.00 36.38 34.90 1wmk s VAL 96 CO 0.32 0.41 0.45 -1.54 0.00 0.00 0.00 175.10 174.74 1wmk n SER 97 N 4.83 -0.02 -0.51 3.32 3.41 -1.25 -4.87 113.62 118.52 1wmk n SER 97 Ca -0.15 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1wmk n SER 97 Cb 0.50 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.99 0.62 0.84 5.00 0.00 -0.71 -4.68 105.19 108.27 1wmk n GLY 98 Ca 0.25 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -1.82 3.78 -0.02 0.00 -1.26 -4.44 105.19 101.44 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 -1.98 2.30 0.11 1.61 2.02 -1.26 -1.80 118.70 119.70 1wmk s GLU 100 Ca 0.00 1.03 -0.18 0.00 0.02 0.00 0.00 54.97 55.83 1wmk s GLU 100 Cb 0.00 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 1wmk s GLU 100 CO 0.00 -1.57 1.66 1.25 0.02 0.00 0.00 175.26 176.62 1wmk h LEU 101 N -1.07 0.38 -1.68 1.80 5.85 -1.37 -2.74 115.31 116.49 1wmk h LEU 101 Ca -0.45 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 1wmk h LEU 101 Cb 1.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1wmk h LEU 101 CO 0.54 0.44 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.68 1wmk h PHE 102 N 0.30 0.03 -0.41 1.25 -1.00 -1.82 -0.96 116.94 114.34 1wmk h PHE 102 Ca 0.09 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 1wmk h PHE 102 Cb 0.17 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1wmk h PHE 102 CO -0.01 0.17 0.08 0.22 -1.61 0.00 0.00 178.31 177.16 1wmk h ASP 103 N 0.03 0.63 -0.23 2.17 1.82 -1.88 -0.56 116.42 118.40 1wmk h ASP 103 Ca 0.01 -0.25 -0.09 0.00 -0.39 0.00 0.00 57.03 56.30 1wmk h ASP 103 Cb 0.26 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 1wmk h ASP 103 CO 0.02 0.72 -0.17 0.15 -1.61 0.00 0.00 179.24 178.35 1wmk h PHE 104 N 0.52 0.74 0.00 0.28 3.04 -1.09 -2.91 116.94 117.51 1wmk h PHE 104 Ca 0.13 -0.14 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 1wmk h PHE 104 Cb 0.35 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1wmk h PHE 104 CO 0.02 0.79 -0.46 -0.07 -2.02 0.00 0.00 178.31 176.57 1wmk h LEU 105 N 0.60 0.00 -1.27 0.59 3.38 -1.01 -2.62 115.31 114.98 1wmk h LEU 105 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1wmk h LEU 105 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1wmk h LEU 105 CO 0.04 0.46 -0.18 0.00 0.09 0.00 0.00 178.44 178.86 1wmk h ALA 106 N 1.54 1.39 -0.53 1.53 0.00 -0.90 -2.83 119.26 119.46 1wmk h ALA 106 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1wmk h ALA 106 Cb 0.97 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1wmk h ALA 106 CO 0.06 0.42 0.03 0.37 0.00 0.00 0.00 179.25 180.13 1wmk h GLN 107 N 0.26 0.92 -6.60 0.00 5.75 -1.41 -3.45 115.11 110.58 1wmk h GLN 107 Ca 0.05 -0.28 -0.59 0.00 -0.15 0.00 0.00 58.65 57.68 1wmk h GLN 107 Cb 0.47 -0.09 0.10 0.00 1.07 0.00 0.00 27.48 29.02 1wmk h GLN 107 CO 0.03 0.92 0.46 1.63 -2.65 0.00 0.00 178.83 179.22 1wmk n LYS 108 N -4.31 1.86 0.03 1.69 4.76 -1.07 -4.93 118.16 116.20 1wmk n LYS 108 Ca 0.02 0.66 0.11 0.00 -2.87 0.00 0.00 58.31 56.23 1wmk n LYS 108 Cb 0.31 -2.22 -0.09 0.00 -1.84 0.00 0.00 35.03 31.19 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 1.26 0.57 0.00 1.97 0.00 -1.26 -4.85 120.64 118.34 1wmk n GLU 109 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1wmk n GLU 109 Cb 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 30.13 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 -2.34 0.00 -2.38 -1.84 3.41 -1.26 -5.05 113.62 104.16 1wmk n SER 110 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1wmk n SER 110 Cb 0.54 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.11 -5.59 -4.95 1.04 7.94 -1.26 -4.70 117.00 108.39 1wmk n LEU 111 Ca 0.00 2.47 -0.27 0.00 -1.11 0.00 0.00 56.01 57.10 1wmk n LEU 111 Cb 0.00 -2.97 0.12 0.00 0.53 0.00 0.00 43.42 41.10 1wmk n LEU 111 CO 0.00 -2.94 0.69 -0.94 -1.11 0.00 0.00 177.39 173.09 1wmk s SER 112 N -0.51 4.14 0.34 1.96 1.04 -1.26 -3.37 113.70 116.03 1wmk s SER 112 Ca -0.05 0.20 0.18 0.00 0.48 0.00 0.00 55.95 56.76 1wmk s SER 112 Cb 0.00 -0.58 0.37 0.00 0.10 0.00 0.00 66.02 65.92 1wmk s SER 112 CO 0.13 -2.04 1.59 -0.08 0.98 0.00 0.00 173.24 173.81 1wmk h GLU 113 N -0.93 0.00 -0.02 4.02 4.81 -1.41 -1.08 114.58 119.97 1wmk h GLU 113 Ca -0.42 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1wmk h GLU 113 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1wmk h GLU 113 CO 0.48 0.41 -0.04 1.49 -0.73 0.00 0.00 179.01 180.62 1wmk h GLU 114 N 0.00 0.06 -0.75 1.92 4.81 -1.75 -2.47 114.58 116.41 1wmk h GLU 114 Ca -0.00 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1wmk h GLU 114 Cb 1.15 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1wmk h GLU 114 CO 0.05 0.61 0.49 0.93 -0.73 0.00 0.00 179.01 180.37 1wmk h GLU 115 N -0.48 0.65 -0.41 1.92 5.08 -1.87 -1.81 114.58 117.66 1wmk h GLU 115 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1wmk h GLU 115 Cb 0.61 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wmk h GLU 115 CO 0.01 0.43 -0.01 0.00 -1.00 0.00 0.00 179.01 178.44 1wmk h ALA 116 N 1.62 0.55 0.00 3.43 0.00 -1.18 -2.90 119.26 120.77 1wmk h ALA 116 Ca 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wmk h ALA 116 Cb 0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wmk h ALA 116 CO -0.12 0.34 -0.03 1.15 0.00 0.00 0.00 179.25 180.59 1wmk h THR 117 N 0.55 0.87 -0.62 0.00 2.02 -0.84 -2.04 112.91 112.85 1wmk h THR 117 Ca 0.11 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1wmk h THR 117 Cb 0.49 1.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.86 1wmk h THR 117 CO 0.02 0.03 0.09 -1.28 0.37 0.00 0.00 175.52 174.75 1wmk h SER 118 N 0.00 -0.10 -0.01 4.18 0.87 -1.29 -1.77 113.55 115.44 1wmk h SER 118 Ca -0.00 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1wmk h SER 118 Cb 0.05 0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1wmk h SER 118 CO 0.00 -0.04 -0.33 -0.26 -0.53 0.00 0.00 176.83 175.68 1wmk h PHE 119 N 0.21 0.34 -0.88 2.24 -1.00 -1.51 -3.05 116.94 113.29 1wmk h PHE 119 Ca 0.33 -0.18 0.19 0.00 2.81 0.00 0.00 57.97 61.11 1wmk h PHE 119 Cb 0.52 -0.04 -0.11 0.00 3.61 0.00 0.00 35.95 39.93 1wmk h PHE 119 CO -0.29 0.98 0.43 0.82 -1.61 0.00 0.00 178.31 178.64 1wmk h ILE 120 N -0.40 0.60 -0.63 -0.55 1.08 -1.34 0.15 117.51 116.43 1wmk h ILE 120 Ca -0.04 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1wmk h ILE 120 Cb 1.07 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1wmk h ILE 120 CO 0.06 0.10 0.29 0.50 -0.69 0.00 0.00 178.15 178.41 1wmk h LYS 121 N 0.52 0.91 -0.17 2.37 3.11 -1.36 -0.71 116.57 121.24 1wmk h LYS 121 Ca 0.52 -0.14 0.05 0.00 -2.81 0.00 0.00 60.65 58.27 1wmk h LYS 121 Cb 0.87 -0.16 -0.06 0.00 -1.00 0.00 0.00 32.23 31.89 1wmk h LYS 121 CO -0.44 0.74 -0.18 1.96 -2.81 0.00 0.00 179.45 178.71 1wmk h GLN 122 N 0.86 -0.20 0.18 1.90 4.20 -0.60 0.28 115.11 121.73 1wmk h GLN 122 Ca 0.21 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1wmk h GLN 122 Cb 0.14 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1wmk h GLN 122 CO -0.02 -0.13 -0.39 0.82 -0.67 0.00 0.00 178.83 178.43 1wmk h ILE 123 N -0.21 0.20 -0.98 2.54 5.03 -0.99 -2.07 117.51 121.03 1wmk h ILE 123 Ca 0.11 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 65.10 1wmk h ILE 123 Cb 0.38 0.20 -0.07 0.00 -3.03 0.00 0.00 36.82 34.30 1wmk h ILE 123 CO -0.30 0.00 0.65 -0.07 -0.68 0.00 0.00 178.15 177.76 1wmk h LEU 124 N -0.66 0.35 0.32 1.44 3.38 -0.59 -1.55 115.31 118.01 1wmk h LEU 124 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1wmk h LEU 124 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wmk h LEU 124 CO -0.19 0.10 -0.15 0.44 0.09 0.00 0.00 178.44 178.73 1wmk h ASP 125 N 0.33 -0.36 -0.41 -0.43 5.19 -0.24 0.21 116.42 120.70 1wmk h ASP 125 Ca 0.53 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1wmk h ASP 125 Cb 1.45 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 1wmk h ASP 125 CO -0.20 -0.13 0.25 1.23 -3.12 0.00 0.00 179.24 177.27 1wmk h GLY 126 N -0.60 0.62 1.10 2.75 0.00 -1.07 -2.49 103.07 103.39 1wmk h GLY 126 Ca -0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1wmk h GLY 126 CO 0.07 0.24 -0.35 -2.08 0.00 0.00 0.00 176.54 174.43 1wmk h VAL 127 N 0.59 1.27 -0.62 4.60 2.07 -1.12 -2.92 116.25 120.13 1wmk h VAL 127 Ca 0.16 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 1wmk h VAL 127 Cb -0.00 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1wmk h VAL 127 CO -0.03 0.51 0.05 -1.13 0.02 0.00 0.00 177.57 176.99 1wmk h ASN 128 N 0.73 1.01 -0.85 0.57 -1.24 -0.67 -1.62 115.58 113.51 1wmk h ASN 128 Ca 0.07 -0.26 0.06 0.00 0.71 0.00 0.00 56.30 56.87 1wmk h ASN 128 Cb 0.94 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 39.66 1wmk h ASN 128 CO 0.09 1.04 0.53 0.22 -1.29 0.00 0.00 177.43 178.02 1wmk h TYR 129 N 0.97 0.99 0.22 0.67 3.20 -1.36 -1.47 116.97 120.19 1wmk h TYR 129 Ca 0.18 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1wmk h TYR 129 Cb 0.49 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1wmk h TYR 129 CO 0.03 0.52 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.89 1wmk h LEU 130 N 0.98 -0.25 -1.88 2.82 3.38 -1.28 -2.91 115.31 116.17 1wmk h LEU 130 Ca 0.36 -0.22 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1wmk h LEU 130 Cb 0.13 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1wmk h LEU 130 CO -0.16 0.11 0.45 0.45 0.09 0.00 0.00 178.44 179.38 1wmk h HIS 131 N -0.64 0.14 -0.51 1.13 3.86 -1.09 0.11 115.15 118.15 1wmk h HIS 131 Ca -0.03 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1wmk h HIS 131 Cb 0.46 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1wmk h HIS 131 CO 0.03 0.05 0.04 1.15 0.86 0.00 0.00 177.93 180.06 1wmk h THR 132 N 0.12 1.26 -0.04 2.45 2.02 -1.12 -2.13 112.91 115.46 1wmk h THR 132 Ca 0.31 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1wmk h THR 132 Cb 1.05 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1wmk h THR 132 CO -0.04 0.36 0.00 0.29 0.37 0.00 0.00 175.52 176.50 1wmk n LYS 133 N -4.36 1.13 -3.78 6.66 4.76 0.30 -4.88 118.16 117.99 1wmk n LYS 133 Ca 0.01 -0.17 -0.27 0.00 -2.87 0.00 0.00 58.31 55.01 1wmk n LYS 133 Cb 0.29 -1.13 0.05 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.29 -6.62 -4.38 1.97 4.01 -0.80 -4.92 118.16 107.12 1wmk n LYS 134 Ca 0.02 0.70 -0.33 0.00 -0.51 0.00 0.00 58.31 58.19 1wmk n LYS 134 Cb 0.09 -5.67 -0.10 0.00 -0.51 0.00 0.00 35.03 28.85 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 3.99 -0.17 -0.18 1.01 -0.66 -1.62 121.20 120.27 1wmk s ILE 135 Ca 0.63 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 1wmk s ILE 135 Cb -0.30 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.47 1wmk s ILE 135 CO 0.79 0.43 -0.07 0.00 0.00 0.00 0.00 174.94 176.09 1wmk s ALA 136 N -1.01 1.61 -0.71 9.38 0.00 -1.08 -3.53 121.76 126.43 1wmk s ALA 136 Ca 0.17 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1wmk s ALA 136 Cb -0.11 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 21.93 1wmk s ALA 136 CO 0.07 -0.72 1.10 -1.58 0.00 0.00 0.00 175.76 174.63 1wmk s HIS 137 N 1.58 2.54 0.11 0.00 2.46 -1.26 -2.35 115.29 118.36 1wmk s HIS 137 Ca 0.01 -0.41 0.17 0.00 0.47 0.00 0.00 55.06 55.30 1wmk s HIS 137 Cb -0.15 -4.43 0.51 0.00 -0.13 0.00 0.00 32.58 28.38 1wmk s HIS 137 CO -0.08 -1.81 1.65 0.74 -2.47 0.00 0.00 174.74 172.77 1wmk h PHE 138 N 9.72 0.00 -2.55 3.88 0.04 -1.79 -3.39 116.94 122.85 1wmk h PHE 138 Ca -0.26 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 59.80 1wmk h PHE 138 Cb 1.06 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.02 1wmk h PHE 138 CO 1.04 0.44 0.85 0.34 -0.60 0.00 0.00 178.31 180.38 1wmk s ASP 139 N -6.47 6.76 -0.54 2.17 2.15 -1.25 -4.91 116.67 114.57 1wmk s ASP 139 Ca 0.01 -2.36 0.01 0.00 0.43 0.00 0.00 52.55 50.64 1wmk s ASP 139 Cb 0.10 -2.37 0.14 0.00 -0.30 0.00 0.00 42.92 40.49 1wmk s ASP 139 CO 0.71 -0.92 0.31 -0.76 -0.17 0.00 0.00 175.17 174.33 1wmk s LEU 140 N 2.06 4.73 0.24 -1.34 1.43 -1.26 -4.91 118.68 119.64 1wmk s LEU 140 Ca 0.33 -2.85 0.08 0.00 -1.03 0.00 0.00 54.13 50.66 1wmk s LEU 140 Cb -0.05 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1wmk s LEU 140 CO -0.07 -0.31 -0.13 -1.59 0.23 0.00 0.00 176.35 174.48 1wmk s LYS 141 N -0.06 1.47 0.62 1.70 -2.85 -1.26 -4.83 119.74 114.54 1wmk s LYS 141 Ca 0.16 -1.69 0.31 0.00 -1.00 0.00 0.00 55.97 53.75 1wmk s LYS 141 Cb -0.23 -1.27 1.70 0.00 -2.06 0.00 0.00 37.83 35.97 1wmk s LYS 141 CO -0.02 0.17 2.03 -1.35 0.10 0.00 0.00 175.35 176.28 1wmk h PRO 142 N 2.41 0.00 0.00 1.78 0.11 -1.97 0.11 132.00 134.43 1wmk h PRO 142 Ca -0.39 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1wmk h PRO 142 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1wmk h PRO 142 CO 0.63 0.00 -0.23 0.93 -0.21 0.00 0.00 178.00 179.12 1wmk h GLU 143 N 0.00 0.00 0.00 1.05 3.07 -2.00 -3.10 114.58 113.60 1wmk h GLU 143 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1wmk h GLU 143 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1wmk h GLU 143 CO -0.00 0.23 -0.40 0.09 -1.40 0.00 0.00 179.01 177.53 1wmk n ASN 144 N -3.17 0.58 -4.41 1.42 5.03 0.36 -4.67 115.26 110.40 1wmk n ASN 144 Ca 0.03 0.17 -0.45 0.00 0.87 0.00 0.00 54.58 55.20 1wmk n ASN 144 Cb 0.61 -0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 39.26 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 -3.09 4.88 0.41 2.41 1.01 -1.06 -2.75 121.20 123.00 1wmk s ILE 145 Ca 0.09 -1.46 0.08 0.00 0.00 0.00 0.00 60.65 59.36 1wmk s ILE 145 Cb 0.15 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1wmk s ILE 145 CO 0.67 -1.31 0.52 -0.04 0.00 0.00 0.00 174.94 174.78 1wmk s MET 146 N 2.35 2.77 -0.01 2.79 -1.94 -0.05 -1.21 119.30 124.00 1wmk s MET 146 Ca 0.23 -1.30 0.05 0.00 -1.71 0.00 0.00 55.69 52.96 1wmk s MET 146 Cb -0.12 -2.67 -0.01 0.00 2.01 0.00 0.00 34.83 34.04 1wmk s MET 146 CO -0.03 -0.23 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.07 1wmk s LEU 147 N -4.28 2.03 -0.05 -0.03 1.02 -0.74 -0.60 118.68 116.02 1wmk s LEU 147 Ca 0.53 -0.30 -0.22 0.00 0.02 0.00 0.00 54.13 54.16 1wmk s LEU 147 Cb -0.08 -0.85 -0.17 0.00 0.02 0.00 0.00 46.19 45.11 1wmk s LEU 147 CO 0.32 0.20 0.92 0.25 0.02 0.00 0.00 176.35 178.06 1wmk h LEU 148 N 5.73 -0.15 -7.83 1.79 6.46 -1.69 -1.88 115.31 117.74 1wmk h LEU 148 Ca -0.36 -0.40 -0.30 0.00 -0.12 0.00 0.00 57.88 56.70 1wmk h LEU 148 Cb 1.15 0.04 -0.29 0.00 -0.73 0.00 0.00 40.66 40.83 1wmk h LEU 148 CO 0.48 0.42 -0.74 -0.62 -0.62 0.00 0.00 178.44 177.36 1wmk s ASP 149 N -5.54 0.42 0.23 1.25 2.15 -1.26 -3.75 116.67 110.16 1wmk s ASP 149 Ca -0.13 -0.06 0.20 0.00 0.43 0.00 0.00 52.55 52.98 1wmk s ASP 149 Cb 0.00 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.60 1wmk s ASP 149 CO 0.51 0.03 1.17 0.50 -0.17 0.00 0.00 175.17 177.22 1wmk h LYS 150 N 6.18 0.00 -0.02 4.34 3.64 -1.84 -3.38 116.57 125.50 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 33.00 1wmk h LYS 150 CO 0.50 0.16 -0.72 -0.91 -2.27 0.00 0.00 179.45 176.21 1wmk h ASN 151 N 0.00 0.14 -3.96 4.20 2.35 -1.97 -3.46 115.58 112.88 1wmk h ASN 151 Ca -0.04 -0.10 -0.53 0.00 -0.55 0.00 0.00 56.30 55.08 1wmk h ASN 151 Cb 1.21 -0.04 0.10 0.00 0.05 0.00 0.00 38.32 39.64 1wmk h ASN 151 CO 0.02 0.82 0.67 -0.63 -1.65 0.00 0.00 177.43 176.66 1wmk s ILE 152 N -3.45 2.32 0.16 2.81 1.01 -1.26 -4.94 121.20 117.85 1wmk s ILE 152 Ca -0.02 0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 1wmk s ILE 152 Cb 0.11 -3.17 0.07 0.00 0.01 0.00 0.00 42.46 39.48 1wmk s ILE 152 CO 0.80 0.05 1.64 1.55 0.00 0.00 0.00 174.94 178.97 1wmk h PRO 153 N 2.57 -0.16 -4.75 2.79 0.13 -1.96 -3.35 132.00 127.27 1wmk h PRO 153 Ca -0.50 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1wmk h PRO 153 Cb 1.25 0.04 -0.37 0.00 0.13 0.00 0.00 31.00 32.05 1wmk h PRO 153 CO 0.62 -0.11 -0.72 0.42 -0.23 0.00 0.00 178.00 177.98 1wmk s ILE 154 N -6.12 2.49 0.62 -3.56 1.01 -1.26 -5.12 121.20 109.26 1wmk s ILE 154 Ca -0.14 -1.88 -0.08 0.00 0.00 0.00 0.00 60.65 58.54 1wmk s ILE 154 Cb 0.13 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1wmk s ILE 154 CO 0.69 -0.31 0.97 -2.84 0.00 0.00 0.00 174.94 173.45 1wmk s PRO 155 N 1.07 3.05 0.11 2.79 0.02 -1.26 -5.06 135.00 135.72 1wmk s PRO 155 Ca 0.00 0.27 -0.25 0.00 0.02 0.00 0.00 61.00 61.05 1wmk s PRO 155 Cb -0.20 -2.17 -0.07 0.00 0.02 0.00 0.00 34.50 32.08 1wmk s PRO 155 CO -0.05 -0.74 0.75 -1.58 -0.33 0.00 0.00 177.00 175.05 1wmk s HIS 156 N -3.11 3.83 -0.17 6.54 2.46 -1.26 -5.00 115.29 118.58 1wmk s HIS 156 Ca 0.55 1.54 -0.07 0.00 0.47 0.00 0.00 55.06 57.55 1wmk s HIS 156 Cb -0.11 -2.76 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 1wmk s HIS 156 CO 0.48 0.43 0.06 0.42 -2.47 0.00 0.00 174.74 173.66 1wmk s ILE 157 N -0.71 4.74 0.04 0.89 1.01 -1.26 -1.93 121.20 123.98 1wmk s ILE 157 Ca 0.36 -0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.04 1wmk s ILE 157 Cb -0.22 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1wmk s ILE 157 CO 0.24 0.48 -0.25 -0.54 0.00 0.00 0.00 174.94 174.88 1wmk s LYS 158 N 0.20 1.71 -0.16 2.79 -0.14 0.23 -4.43 119.74 119.94 1wmk s LYS 158 Ca 0.04 -1.05 -0.04 0.00 -1.36 0.00 0.00 55.97 53.55 1wmk s LYS 158 Cb -0.12 -1.86 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1wmk s LYS 158 CO 0.01 0.48 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.55 1wmk s LEU 159 N -1.18 3.34 0.45 3.17 1.43 -1.06 -0.87 118.68 123.96 1wmk s LEU 159 Ca 0.11 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1wmk s LEU 159 Cb -0.10 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1wmk s LEU 159 CO 0.02 0.17 0.05 0.27 0.23 0.00 0.00 176.35 177.09 1wmk s ILE 160 N 0.36 1.08 -0.56 -0.59 -4.36 -1.11 -2.06 121.20 113.96 1wmk s ILE 160 Ca -0.03 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.24 1wmk s ILE 160 Cb -0.14 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.20 1wmk s ILE 160 CO 0.03 0.00 0.64 -0.67 0.24 0.00 0.00 174.94 175.18 1wmk n ASP 161 N -1.19 -7.37 -1.31 4.36 -0.08 -1.26 -4.91 116.55 104.78 1wmk n ASP 161 Ca -0.12 0.14 0.03 0.00 -1.51 0.00 0.00 54.79 53.33 1wmk n ASP 161 Cb 0.66 -4.63 0.22 0.00 2.34 0.00 0.00 41.12 39.71 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 -0.95 1.21 -0.29 -0.67 3.01 -1.26 -4.31 117.46 114.21 1wmk n PHE 162 Ca 0.02 -0.47 0.06 0.00 1.01 0.00 0.00 57.45 58.08 1wmk n PHE 162 Cb 0.52 -0.36 0.28 0.00 -0.01 0.00 0.00 39.48 39.92 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 4.30 1.30 -4.50 1.37 0.00 -1.93 -2.44 103.07 101.17 1wmk h GLY 163 Ca 0.03 -0.38 -0.72 0.00 0.00 0.00 0.00 47.33 46.26 1wmk h GLY 163 CO 0.30 0.22 0.85 1.04 0.00 0.00 0.00 176.54 178.95 1wmk n LEU 164 N -4.52 7.41 -4.51 3.11 4.32 -1.26 -4.87 117.00 116.67 1wmk n LEU 164 Ca 0.15 -4.61 -0.29 0.00 -0.02 0.00 0.00 56.01 51.23 1wmk n LEU 164 Cb 0.28 -0.98 -0.11 0.00 -1.62 0.00 0.00 43.42 41.00 1wmk n LEU 164 CO 0.31 1.67 -0.47 0.00 -1.22 0.00 0.00 177.39 177.68 1wmk s ALA 165 N -3.93 2.76 -0.15 -1.18 0.00 -0.92 -1.96 121.76 116.38 1wmk s ALA 165 Ca 0.57 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1wmk s ALA 165 Cb 0.47 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1wmk s ALA 165 CO -0.22 0.59 0.37 -1.58 0.00 0.00 0.00 175.76 174.93 1wmk s HIS 166 N -1.21 -0.50 -0.20 0.00 2.46 -0.99 -4.82 115.29 110.02 1wmk s HIS 166 Ca 0.19 1.12 -0.29 0.00 0.47 0.00 0.00 55.06 56.55 1wmk s HIS 166 Cb -0.10 0.19 -0.01 0.00 -0.13 0.00 0.00 32.58 32.52 1wmk s HIS 166 CO 0.11 -0.28 1.34 -1.21 -2.47 0.00 0.00 174.74 172.24 1wmk s GLU 167 N 1.02 4.09 -0.11 2.88 2.02 -1.26 -2.63 118.70 124.71 1wmk s GLU 167 Ca -0.07 1.59 -0.18 0.00 0.02 0.00 0.00 54.97 56.34 1wmk s GLU 167 Cb -0.07 -3.84 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1wmk s GLU 167 CO -0.08 -0.90 0.47 0.42 0.02 0.00 0.00 175.26 175.20 1wmk s ILE 168 N 3.97 5.18 0.48 -1.63 1.01 -0.64 -5.03 121.20 124.54 1wmk s ILE 168 Ca 0.58 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 62.15 1wmk s ILE 168 Cb -0.22 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.54 1wmk s ILE 168 CO 0.20 0.34 0.66 -0.62 0.00 0.00 0.00 174.94 175.51 1wmk n GLU 169 N 3.60 -0.14 -0.10 2.79 -0.58 -1.26 -4.90 120.64 120.04 1wmk n GLU 169 Ca -0.07 -1.47 -0.16 0.00 -0.42 0.00 0.00 57.16 55.04 1wmk n GLU 169 Cb 0.52 -0.54 -0.06 0.00 -0.57 0.00 0.00 31.44 30.79 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 -3.14 1.89 0.01 1.62 10.43 -1.26 -4.63 116.55 121.46 1wmk n ASP 170 Ca 0.10 0.44 -0.10 0.00 2.57 0.00 0.00 54.79 57.80 1wmk n ASP 170 Cb 0.35 -0.85 -0.14 0.00 1.84 0.00 0.00 41.12 42.32 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 0.05 -4.84 0.44 0.00 -2.06 -3.46 103.07 92.20 1wmk h GLY 171 Ca -0.25 -0.13 -0.55 0.00 0.00 0.00 0.00 47.33 46.41 1wmk h GLY 171 CO -0.15 0.11 0.80 0.14 0.00 0.00 0.00 176.54 177.44 1wmk s VAL 172 N -2.62 3.85 0.46 4.60 1.01 -1.26 -5.01 120.40 121.42 1wmk s VAL 172 Ca -0.05 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 1wmk s VAL 172 Cb 0.08 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1wmk s VAL 172 CO 0.82 -0.00 0.86 -0.70 0.00 0.00 0.00 175.10 176.08 1wmk s GLU 173 N 2.36 3.81 -0.28 2.72 2.12 -1.26 -4.50 118.70 123.67 1wmk s GLU 173 Ca 0.62 0.64 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 1wmk s GLU 173 Cb -0.30 -2.28 0.13 0.00 0.26 0.00 0.00 34.13 31.94 1wmk s GLU 173 CO 0.25 -0.16 0.27 0.12 -0.54 0.00 0.00 175.26 175.20 1wmk s PHE 174 N -2.53 -0.35 0.05 5.30 5.36 -1.26 -5.05 117.98 119.50 1wmk s PHE 174 Ca 0.54 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 56.30 1wmk s PHE 174 Cb -0.10 -0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 42.03 1wmk s PHE 174 CO 0.34 -0.88 0.09 0.15 -1.46 0.00 0.00 175.22 173.46 1wmk s LYS 175 N 2.33 3.00 -0.15 10.12 1.02 -1.26 -1.94 119.74 132.85 1wmk s LYS 175 Ca 0.09 -0.59 -0.32 0.00 0.02 0.00 0.00 55.97 55.17 1wmk s LYS 175 Cb -0.14 -2.80 0.13 0.00 -0.52 0.00 0.00 37.83 34.50 1wmk s LYS 175 CO -0.32 0.60 1.11 1.21 -0.92 0.00 0.00 175.35 177.03 1wmk s ASN 176 N -2.18 -0.22 -0.18 2.83 2.47 -1.26 -5.04 114.94 111.35 1wmk s ASN 176 Ca 0.28 0.08 -0.10 0.00 0.42 0.00 0.00 52.86 53.54 1wmk s ASN 176 Cb -0.12 0.22 -0.05 0.00 -1.45 0.00 0.00 41.25 39.85 1wmk s ASN 176 CO 0.20 -0.32 0.17 -0.51 -3.72 0.00 0.00 177.10 172.92 1wmk s ILE 177 N -2.16 5.40 0.00 -5.21 -1.16 -1.26 -4.84 121.20 111.96 1wmk s ILE 177 Ca 0.06 0.27 0.00 0.00 -0.51 0.00 0.00 60.65 60.48 1wmk s ILE 177 Cb -0.01 -3.50 0.00 0.00 0.61 0.00 0.00 42.46 39.56 1wmk s ILE 177 CO -0.05 0.46 0.00 0.49 -2.81 0.00 0.00 174.94 173.03 1wmk n PHE 178 N 3.30 0.00 0.00 3.50 3.01 -1.26 -5.15 117.46 120.86 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 4.55 0.72 3.74 1.37 0.00 -1.26 -4.96 105.19 109.35 1wmk n GLY 179 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 5.22 0.30 2.61 2.01 -1.26 -4.99 115.64 119.52 1wmk s THR 180 Ca 0.00 0.78 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1wmk s THR 180 Cb 0.00 -3.73 0.41 0.00 0.01 0.00 0.00 72.50 69.19 1wmk s THR 180 CO 0.00 0.38 1.51 -2.65 -0.69 0.00 0.00 174.62 173.17 1wmk n PRO 181 N 3.44 -0.08 0.08 4.92 -0.02 -1.26 -2.80 135.00 139.28 1wmk n PRO 181 Ca -0.10 1.45 -0.12 0.00 -2.02 0.00 0.00 63.50 62.72 1wmk n PRO 181 Cb 0.52 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.24 -1.83 -0.52 5.08 -1.96 -3.38 114.58 111.73 1wmk h GLU 182 Ca 0.58 0.02 -0.75 0.00 -1.00 0.00 0.00 59.36 58.20 1wmk h GLU 182 Cb 1.17 0.05 -0.28 0.00 0.50 0.00 0.00 28.75 30.19 1wmk h GLU 182 CO -0.92 0.16 0.99 1.19 -1.00 0.00 0.00 179.01 179.43 1wmk n PHE 183 N -4.99 3.03 -4.94 4.33 3.01 -1.12 -4.89 117.46 111.88 1wmk n PHE 183 Ca -0.09 -2.45 -0.26 0.00 1.01 0.00 0.00 57.45 55.66 1wmk n PHE 183 Cb 0.26 -1.20 -0.15 0.00 -0.01 0.00 0.00 39.48 38.37 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 -5.05 1.59 0.56 -4.37 -7.23 -1.25 -4.65 120.40 100.01 1wmk s VAL 184 Ca 0.54 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 1wmk s VAL 184 Cb 0.45 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 1wmk s VAL 184 CO -0.35 0.42 1.08 0.00 -0.31 0.00 0.00 175.10 175.94 1wmk s ALA 185 N -0.51 2.72 0.49 1.32 0.00 -1.26 -4.93 121.76 119.60 1wmk s ALA 185 Ca 0.08 0.58 0.14 0.00 0.00 0.00 0.00 51.96 52.76 1wmk s ALA 185 Cb -0.08 -3.28 1.16 0.00 0.00 0.00 0.00 23.12 20.92 1wmk s ALA 185 CO -0.00 -0.74 2.13 -1.35 0.00 0.00 0.00 175.76 175.79 1wmk h PRO 186 N 0.87 0.14 0.00 0.00 0.11 -1.92 -1.58 132.00 129.62 1wmk h PRO 186 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1wmk h PRO 186 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wmk h PRO 186 CO 0.57 0.09 -0.08 1.05 -0.21 0.00 0.00 178.00 179.42 1wmk h GLU 187 N 0.14 0.00 0.14 1.05 4.11 -1.88 -2.08 114.58 116.06 1wmk h GLU 187 Ca 0.04 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.17 1wmk h GLU 187 Cb -0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1wmk h GLU 187 CO -0.01 0.08 -1.26 0.82 0.07 0.00 0.00 179.01 178.71 1wmk h ILE 188 N 0.00 1.33 0.51 -1.06 1.08 -1.59 -3.20 117.51 114.58 1wmk h ILE 188 Ca -0.00 -2.61 -0.02 0.00 -0.39 0.00 0.00 64.86 61.84 1wmk h ILE 188 Cb 0.19 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 1wmk h ILE 188 CO 0.01 0.78 -0.24 0.58 -0.69 0.00 0.00 178.15 178.59 1wmk h VAL 189 N 0.21 0.43 -4.29 1.67 2.07 -1.10 -3.42 116.25 111.82 1wmk h VAL 189 Ca -0.18 -0.32 -0.51 0.00 0.82 0.00 0.00 66.70 66.51 1wmk h VAL 189 Cb 1.94 0.56 0.10 0.00 -1.52 0.00 0.00 31.29 32.37 1wmk h VAL 189 CO 0.23 0.05 0.36 0.20 0.02 0.00 0.00 177.57 178.43 1wmk s ASN 190 N -4.72 5.19 -1.38 0.57 -0.87 -0.89 -4.90 114.94 107.93 1wmk s ASN 190 Ca -0.15 1.75 -0.13 0.00 -1.57 0.00 0.00 52.86 52.76 1wmk s ASN 190 Cb 0.02 -2.52 0.09 0.00 -0.02 0.00 0.00 41.25 38.83 1wmk s ASN 190 CO 0.54 -1.57 2.06 0.00 -2.57 0.00 0.00 177.10 175.56 1wmk n TYR 191 N -2.94 3.49 -4.40 2.20 9.36 -1.26 -4.81 117.16 118.79 1wmk n TYR 191 Ca 0.08 -2.92 -0.24 0.00 3.32 0.00 0.00 57.90 58.14 1wmk n TYR 191 Cb 0.53 -2.37 -0.09 0.00 -0.63 0.00 0.00 39.34 36.78 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 2.36 1.85 0.55 2.98 2.02 -1.21 -5.00 118.70 122.25 1wmk s GLU 192 Ca 0.45 -1.60 -0.21 0.00 0.02 0.00 0.00 54.97 53.62 1wmk s GLU 192 Cb 0.11 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 1wmk s GLU 192 CO -0.05 0.36 1.33 -0.35 0.02 0.00 0.00 175.26 176.57 1wmk n PRO 193 N -0.51 1.60 -4.39 0.39 -0.04 -1.26 -4.58 135.00 126.21 1wmk n PRO 193 Ca -0.07 0.59 -0.23 0.00 -0.04 0.00 0.00 63.50 63.76 1wmk n PRO 193 Cb 0.59 -2.54 -0.11 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 -3.35 2.50 0.00 1.53 1.43 -0.82 -4.90 118.68 115.07 1wmk s LEU 194 Ca 0.72 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1wmk s LEU 194 Cb -0.42 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1wmk s LEU 194 CO 0.49 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1wmk n GLY 195 N -0.09 3.52 0.21 -3.19 0.00 -1.26 -4.58 105.19 99.80 1wmk n GLY 195 Ca -0.10 -0.76 0.09 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 -1.47 0.99 3.38 -1.99 -3.17 115.31 113.06 1wmk h LEU 196 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1wmk h LEU 196 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1wmk h LEU 196 CO 0.00 0.27 0.56 -0.33 0.09 0.00 0.00 178.44 179.03 1wmk h GLU 197 N 0.00 0.47 -0.67 1.13 3.07 -1.94 -2.29 114.58 114.36 1wmk h GLU 197 Ca -0.00 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 1wmk h GLU 197 Cb 0.82 -0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.57 1wmk h GLU 197 CO 0.04 0.31 0.35 0.00 -1.40 0.00 0.00 179.01 178.31 1wmk h ALA 198 N 1.62 0.90 -0.72 3.43 0.00 -1.97 -2.38 119.26 120.14 1wmk h ALA 198 Ca 0.43 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1wmk h ALA 198 Cb 0.95 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1wmk h ALA 198 CO -0.17 0.00 0.42 -0.44 0.00 0.00 0.00 179.25 179.06 1wmk h ASP 199 N 0.64 0.64 -0.49 0.00 3.45 -1.63 -2.71 116.42 116.32 1wmk h ASP 199 Ca 0.31 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.76 1wmk h ASP 199 Cb 0.25 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 1wmk h ASP 199 CO -0.21 0.41 0.20 0.24 -1.57 0.00 0.00 179.24 178.31 1wmk h MET 200 N 0.77 0.78 0.02 3.56 2.86 -1.51 -1.51 114.93 119.90 1wmk h MET 200 Ca 0.32 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1wmk h MET 200 Cb 0.17 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 1wmk h MET 200 CO -0.17 0.66 -0.31 2.35 1.06 0.00 0.00 176.91 180.50 1wmk h TRP 201 N 0.77 -0.83 -0.52 -0.22 2.91 -1.39 -2.82 115.95 113.84 1wmk h TRP 201 Ca 0.18 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.33 1wmk h TRP 201 Cb 0.18 0.37 -0.11 0.00 -0.51 0.00 0.00 29.16 29.09 1wmk h TRP 201 CO 0.01 -0.40 -0.30 0.77 -1.03 0.00 0.00 178.44 177.49 1wmk h SER 202 N -0.47 -1.03 -0.76 2.65 0.02 -1.21 -1.08 113.55 111.68 1wmk h SER 202 Ca 0.06 0.21 0.17 0.00 -0.84 0.00 0.00 61.79 61.38 1wmk h SER 202 Cb 0.54 0.52 -0.12 0.00 0.14 0.00 0.00 62.40 63.48 1wmk h SER 202 CO -0.24 -0.29 0.18 0.40 -1.14 0.00 0.00 176.83 175.73 1wmk h ILE 203 N -0.17 0.47 -0.67 3.27 1.08 -1.22 0.20 117.51 120.47 1wmk h ILE 203 Ca 0.22 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.59 1wmk h ILE 203 Cb 0.53 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1wmk h ILE 203 CO -0.62 0.05 0.35 1.23 -0.69 0.00 0.00 178.15 178.47 1wmk h GLY 204 N 0.25 1.00 1.01 5.37 0.00 -0.98 -0.29 103.07 109.44 1wmk h GLY 204 Ca 0.44 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1wmk h GLY 204 CO -0.54 0.43 -0.23 -2.08 0.00 0.00 0.00 176.54 174.12 1wmk h VAL 205 N 0.94 1.29 -0.38 4.60 2.07 -0.26 -1.49 116.25 123.02 1wmk h VAL 205 Ca 0.24 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1wmk h VAL 205 Cb 0.05 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1wmk h VAL 205 CO -0.04 0.46 0.21 0.40 0.02 0.00 0.00 177.57 178.62 1wmk h ILE 206 N 0.59 1.14 -0.22 4.57 1.08 -0.69 -2.23 117.51 121.75 1wmk h ILE 206 Ca 0.07 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1wmk h ILE 206 Cb 0.80 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1wmk h ILE 206 CO 0.06 0.14 0.14 0.74 -0.69 0.00 0.00 178.15 178.55 1wmk h THR 207 N 0.48 1.07 -0.39 -0.27 2.02 -1.03 0.20 112.91 115.00 1wmk h THR 207 Ca 0.13 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1wmk h THR 207 Cb 0.04 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 1wmk h THR 207 CO -0.02 0.07 -0.04 0.22 0.37 0.00 0.00 175.52 176.12 1wmk h TYR 208 N 0.29 -0.09 -0.17 3.16 5.03 -1.09 0.13 116.97 124.22 1wmk h TYR 208 Ca 0.08 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.26 1wmk h TYR 208 Cb -0.01 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1wmk h TYR 208 CO -0.06 -0.11 -0.55 0.82 -1.32 0.00 0.00 178.16 176.95 1wmk h ILE 209 N 0.06 1.33 -0.49 1.81 2.04 -1.19 -2.52 117.51 118.56 1wmk h ILE 209 Ca 0.19 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.20 1wmk h ILE 209 Cb 0.28 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1wmk h ILE 209 CO -0.35 0.56 0.10 0.25 0.00 0.00 0.00 178.15 178.71 1wmk h LEU 210 N 0.40 0.69 0.00 1.44 6.46 0.26 0.16 115.31 124.73 1wmk h LEU 210 Ca 0.01 -0.12 -0.16 0.00 -0.12 0.00 0.00 57.88 57.49 1wmk h LEU 210 Cb 1.08 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1wmk h LEU 210 CO 0.10 0.70 -0.90 -0.07 -0.62 0.00 0.00 178.44 177.65 1wmk h LEU 211 N 0.72 0.00 0.00 2.25 3.38 -0.91 -3.43 115.31 117.32 1wmk h LEU 211 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wmk h LEU 211 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wmk h LEU 211 CO 0.00 0.67 -0.41 -1.54 0.09 0.00 0.00 178.44 177.25 1wmk n SER 212 N -3.17 0.45 0.00 -0.43 3.41 -0.96 -2.48 113.62 110.44 1wmk n SER 212 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1wmk n SER 212 Cb 0.83 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 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 2.95 0.90 3.78 5.00 0.00 0.56 -2.32 105.19 116.05 1wmk n GLY 213 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 3.48 0.32 4.61 0.00 -1.26 -4.77 121.76 123.38 1wmk s ALA 214 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.88 1wmk s ALA 214 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 1wmk s ALA 214 CO 0.00 0.26 0.98 0.45 0.00 0.00 0.00 175.76 177.44 1wmk s SER 215 N -0.74 7.27 0.32 0.00 0.15 -1.26 -4.24 113.70 115.20 1wmk s SER 215 Ca 0.33 1.93 0.26 0.00 0.70 0.00 0.00 55.95 59.17 1wmk s SER 215 Cb -0.21 -2.59 0.86 0.00 -1.71 0.00 0.00 66.02 62.37 1wmk s SER 215 CO 0.22 -0.12 1.76 1.55 1.20 0.00 0.00 173.24 177.85 1wmk h PRO 216 N 3.23 0.00 0.00 5.44 0.13 -1.94 -3.37 132.00 135.50 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 -0.51 1.19 -0.23 0.00 0.00 178.00 179.10 1wmk n PHE 217 N -2.55 0.00 -2.31 1.56 3.72 -1.26 -4.35 117.46 112.27 1wmk n PHE 217 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1wmk n PHE 217 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.99 4.35 0.00 4.37 0.20 -1.26 -4.40 118.68 119.94 1wmk s LEU 218 Ca 0.00 2.10 0.00 0.00 0.69 0.00 0.00 54.13 56.92 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 -0.59 0.00 0.61 -0.29 0.00 0.00 176.35 176.08 1wmk n GLY 219 N 3.40 0.18 1.53 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 0.25 -4.95 1.61 8.00 -1.26 -5.03 116.55 115.17 1wmk n ASP 220 Ca 0.00 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.45 1wmk n ASP 220 Cb 0.00 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 5.22 0.21 -3.53 -4.23 -1.26 -5.01 115.64 105.04 1wmk s THR 221 Ca 0.00 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.72 1wmk s THR 221 Cb 0.00 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.16 1wmk s THR 221 CO 0.00 -0.32 1.78 0.50 -0.54 0.00 0.00 174.62 176.05 1wmk h LYS 222 N 1.39 0.55 -0.53 3.99 3.64 -1.99 -1.69 116.57 121.94 1wmk h LYS 222 Ca -0.50 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 58.95 1wmk h LYS 222 Cb 1.21 -0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.81 1wmk h LYS 222 CO 0.64 0.37 -0.16 0.37 -2.27 0.00 0.00 179.45 178.40 1wmk h GLN 223 N 0.57 -0.03 -0.41 1.90 -0.00 -2.00 -1.36 115.11 113.79 1wmk h GLN 223 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.93 1wmk h GLN 223 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1wmk h GLN 223 CO -0.23 -0.02 0.18 0.93 0.00 0.00 0.00 178.83 179.69 1wmk h GLU 224 N -0.03 0.60 -0.90 1.69 5.08 -1.80 -2.41 114.58 116.82 1wmk h GLU 224 Ca 0.25 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1wmk h GLU 224 Cb 0.41 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1wmk h GLU 224 CO -0.56 0.55 0.58 1.15 -1.00 0.00 0.00 179.01 179.73 1wmk h THR 225 N 0.52 1.11 -0.21 1.13 2.02 -0.52 -0.65 112.91 116.31 1wmk h THR 225 Ca 0.14 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 66.77 1wmk h THR 225 Cb 0.16 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1wmk h THR 225 CO -0.01 0.20 -0.56 -0.07 0.37 0.00 0.00 175.52 175.45 1wmk h LEU 226 N 1.09 0.73 -0.80 2.58 3.38 -1.15 -2.63 115.31 118.51 1wmk h LEU 226 Ca 0.37 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1wmk h LEU 226 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1wmk h LEU 226 CO -0.14 1.13 -0.40 0.00 0.09 0.00 0.00 178.44 179.12 1wmk h ALA 227 N 0.88 0.97 -0.56 1.53 0.00 -1.12 -2.76 119.26 118.20 1wmk h ALA 227 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1wmk h ALA 227 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1wmk h ALA 227 CO 0.11 0.62 0.19 -0.91 0.00 0.00 0.00 179.25 179.26 1wmk h ASN 228 N 0.35 0.81 -0.18 0.00 4.21 -1.00 -0.34 115.58 119.43 1wmk h ASN 228 Ca 0.03 -0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.32 1wmk h ASN 228 Cb 0.86 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.84 1wmk h ASN 228 CO 0.07 0.79 0.03 0.40 -1.29 0.00 0.00 177.43 177.43 1wmk h ILE 229 N 0.78 1.22 -0.04 2.81 2.04 -1.41 0.48 117.51 123.39 1wmk h ILE 229 Ca 0.18 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 1wmk h ILE 229 Cb 0.26 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1wmk h ILE 229 CO -0.01 0.22 -0.51 0.74 0.00 0.00 0.00 178.15 178.59 1wmk h THR 230 N 0.09 1.36 0.00 -0.27 2.02 -1.48 -2.40 112.91 112.23 1wmk h THR 230 Ca 0.06 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1wmk h THR 230 Cb 0.30 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1wmk h THR 230 CO 0.00 0.51 -0.15 0.00 0.37 0.00 0.00 175.52 176.25 1wmk n ALA 231 N -2.46 2.44 -3.32 6.16 0.00 -0.14 -5.00 120.51 118.19 1wmk n ALA 231 Ca -0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1wmk n ALA 231 Cb 0.54 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.25 -7.38 -4.03 0.00 0.31 0.16 -5.00 118.33 100.14 1wmk n VAL 232 Ca 0.05 0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 64.10 1wmk n VAL 232 Cb 0.44 -5.30 -0.15 0.00 -0.91 0.00 0.00 33.84 27.91 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 -2.76 4.23 -0.11 4.52 0.01 -0.84 -5.04 113.70 113.70 1wmk s SER 233 Ca 0.08 -1.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.99 1wmk s SER 233 Cb -0.01 -1.44 0.05 0.00 0.21 0.00 0.00 66.02 64.83 1wmk s SER 233 CO 0.82 -0.20 0.22 -0.72 0.41 0.00 0.00 173.24 173.77 1wmk s TYR 234 N 1.19 -0.32 -0.17 2.43 1.13 -1.26 -4.64 117.35 115.72 1wmk s TYR 234 Ca -0.08 0.80 -0.04 0.00 -1.41 0.00 0.00 57.07 56.34 1wmk s TYR 234 Cb -0.19 -0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1wmk s TYR 234 CO -0.06 -0.30 -0.02 -0.51 -2.51 0.00 0.00 175.55 172.15 1wmk s ASP 235 N 2.16 4.88 -1.09 -0.18 1.11 -1.26 -5.03 116.67 117.25 1wmk s ASP 235 Ca -0.00 -0.13 -0.20 0.00 0.18 0.00 0.00 52.55 52.40 1wmk s ASP 235 Cb -0.12 -1.81 0.08 0.00 1.07 0.00 0.00 42.92 42.15 1wmk s ASP 235 CO -0.07 0.15 1.46 -0.36 1.18 0.00 0.00 175.17 177.52 1wmk s PHE 236 N 0.51 2.81 0.31 4.23 0.08 -1.26 -5.00 117.98 119.65 1wmk s PHE 236 Ca -0.02 -1.28 -0.29 0.00 0.12 0.00 0.00 56.93 55.46 1wmk s PHE 236 Cb -0.14 -4.59 -0.10 0.00 -0.57 0.00 0.00 43.02 37.62 1wmk s PHE 236 CO 0.02 -1.76 1.25 -0.51 -0.10 0.00 0.00 175.22 174.12 1wmk s ASP 237 N 4.30 6.93 0.29 1.36 -0.00 -1.26 -4.88 116.67 123.41 1wmk s ASP 237 Ca 0.45 2.55 0.24 0.00 -0.00 0.00 0.00 52.55 55.79 1wmk s ASP 237 Cb -0.00 -2.64 1.05 0.00 -0.00 0.00 0.00 42.92 41.33 1wmk s ASP 237 CO -0.04 -0.42 1.73 -0.33 -0.00 0.00 0.00 175.17 176.11 1wmk h GLU 238 N 3.64 0.00 -0.08 8.23 4.39 -1.94 -0.33 114.58 128.48 1wmk h GLU 238 Ca -0.48 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.10 1wmk h GLU 238 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1wmk h GLU 238 CO 0.67 0.00 -0.49 1.49 -1.16 0.00 0.00 179.01 179.52 1wmk h GLU 239 N 0.00 0.22 0.00 2.33 4.81 -2.01 -3.16 114.58 116.77 1wmk h GLU 239 Ca 0.00 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 1wmk h GLU 239 Cb 0.33 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1wmk h GLU 239 CO 0.00 0.66 -1.76 1.19 -0.73 0.00 0.00 179.01 178.37 1wmk n PHE 240 N -3.96 0.00 -1.51 0.92 3.01 -0.99 -4.69 117.46 110.23 1wmk n PHE 240 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.36 1wmk n PHE 240 Cb 0.53 -0.54 0.18 0.00 -0.01 0.00 0.00 39.48 39.64 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 -2.38 1.36 -0.30 1.38 3.01 -0.17 -4.73 117.46 115.63 1wmk n PHE 241 Ca -0.17 -1.76 -0.05 0.00 1.01 0.00 0.00 57.45 56.48 1wmk n PHE 241 Cb 0.83 -0.53 0.07 0.00 -0.01 0.00 0.00 39.48 39.83 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 1.16 1.11 -1.35 4.37 4.64 -1.75 -3.23 113.55 118.51 1wmk h SER 242 Ca 0.26 -0.16 -0.55 0.00 -0.47 0.00 0.00 61.79 60.88 1wmk h SER 242 Cb 1.61 -0.29 -0.42 0.00 -0.31 0.00 0.00 62.40 63.00 1wmk h SER 242 CO 0.49 0.96 -0.82 0.00 -0.87 0.00 0.00 176.83 176.60 1wmk n GLN 243 N -4.29 3.08 -4.89 4.77 10.64 -1.26 -5.01 117.38 120.42 1wmk n GLN 243 Ca 0.08 -4.27 -0.31 0.00 -1.83 0.00 0.00 57.00 50.67 1wmk n GLN 243 Cb 0.17 -2.09 -0.14 0.00 -0.86 0.00 0.00 30.24 27.31 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 -5.06 2.38 0.86 -0.39 2.01 -1.22 -3.45 115.64 110.77 1wmk s THR 244 Ca 0.45 -1.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1wmk s THR 244 Cb 0.41 -1.94 0.11 0.00 0.01 0.00 0.00 72.50 71.09 1wmk s THR 244 CO -0.13 0.40 1.09 -0.94 -0.69 0.00 0.00 174.62 174.35 1wmk s SER 245 N -1.18 3.75 0.19 3.53 1.04 -1.26 -4.93 113.70 114.83 1wmk s SER 245 Ca 0.12 1.66 0.26 0.00 0.48 0.00 0.00 55.95 58.48 1wmk s SER 245 Cb -0.10 -2.33 0.87 0.00 0.10 0.00 0.00 66.02 64.56 1wmk s SER 245 CO 0.02 -2.49 1.79 -0.62 0.98 0.00 0.00 173.24 172.93 1wmk n GLU 246 N -3.80 0.22 0.03 4.02 -0.58 -1.26 -2.84 120.64 116.43 1wmk n GLU 246 Ca 0.08 0.20 -0.03 0.00 -0.42 0.00 0.00 57.16 56.99 1wmk n GLU 246 Cb 0.54 -1.77 -0.09 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 -0.18 -4.62 3.38 -1.99 -3.02 115.31 108.89 1wmk h LEU 247 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1wmk h LEU 247 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wmk h LEU 247 CO 0.00 0.74 -0.27 0.00 0.09 0.00 0.00 178.44 179.00 1wmk h ALA 248 N 1.26 0.28 -0.99 1.53 0.00 -1.93 -2.36 119.26 117.04 1wmk h ALA 248 Ca -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1wmk h ALA 248 Cb 1.71 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1wmk h ALA 248 CO 0.07 0.27 0.66 0.87 0.00 0.00 0.00 179.25 181.12 1wmk h LYS 249 N 0.15 1.31 -0.27 0.00 1.57 -1.66 -2.69 116.57 114.99 1wmk h LYS 249 Ca 0.02 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1wmk h LYS 249 Cb 0.84 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1wmk h LYS 249 CO 0.06 0.87 -0.34 0.22 -0.57 0.00 0.00 179.45 179.69 1wmk h ASP 250 N 1.35 0.60 -0.07 0.86 1.82 -1.50 0.43 116.42 119.92 1wmk h ASP 250 Ca 0.37 -0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1wmk h ASP 250 Cb -0.15 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 39.69 1wmk h ASP 250 CO -0.08 0.90 0.03 0.15 -1.61 0.00 0.00 179.24 178.62 1wmk h PHE 251 N 0.49 0.10 -0.43 0.28 3.04 -1.16 -1.07 116.94 118.20 1wmk h PHE 251 Ca 0.05 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1wmk h PHE 251 Cb 0.82 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1wmk h PHE 251 CO 0.03 0.21 0.09 0.82 -2.02 0.00 0.00 178.31 177.45 1wmk h ILE 252 N -0.04 1.24 -0.78 1.41 2.04 -1.44 -2.73 117.51 117.21 1wmk h ILE 252 Ca 0.02 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1wmk h ILE 252 Cb 0.16 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1wmk h ILE 252 CO -0.00 0.29 0.51 -0.09 0.00 0.00 0.00 178.15 178.86 1wmk h ARG 253 N 0.55 0.88 0.00 2.37 2.43 -0.66 -1.31 114.38 118.64 1wmk h ARG 253 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1wmk h ARG 253 Cb 0.33 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1wmk h ARG 253 CO 0.00 0.58 -0.34 1.63 -1.51 0.00 0.00 179.97 180.33 1wmk n LYS 254 N -4.47 0.11 0.04 0.20 5.02 -0.42 -3.48 118.16 115.16 1wmk n LYS 254 Ca 0.11 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1wmk n LYS 254 Cb 0.16 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.25 -7.04 -0.35 3.38 -0.95 -3.24 115.31 107.36 1wmk h LEU 255 Ca 0.00 -0.37 -0.79 0.00 0.09 0.00 0.00 57.88 56.81 1wmk h LEU 255 Cb 0.59 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.01 1wmk h LEU 255 CO 0.00 1.31 0.95 0.18 0.09 0.00 0.00 178.44 180.97 1wmk n LEU 256 N -3.35 6.18 -4.53 1.67 4.77 -0.77 -4.28 117.00 116.69 1wmk n LEU 256 Ca -0.15 -5.03 -0.33 0.00 -0.03 0.00 0.00 56.01 50.47 1wmk n LEU 256 Cb 1.03 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 1wmk n LEU 256 CO 0.48 1.50 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.93 1wmk s VAL 257 N -1.65 3.34 0.12 4.08 1.01 -1.26 -4.95 120.40 121.10 1wmk s VAL 257 Ca 0.33 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 1wmk s VAL 257 Cb 0.02 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1wmk s VAL 257 CO 0.04 0.53 1.75 0.50 0.00 0.00 0.00 175.10 177.92 1wmk h LYS 258 N 5.07 0.17 -7.37 2.72 3.64 -1.96 -3.44 116.57 115.39 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 -0.04 0.20 0.00 -0.41 0.00 0.00 32.23 33.14 1wmk h LYS 258 CO 0.51 0.11 0.10 -1.21 -2.27 0.00 0.00 179.45 176.70 1wmk s GLU 259 N -6.18 -1.77 -0.10 1.90 2.02 -1.26 -4.84 118.70 108.47 1wmk s GLU 259 Ca -0.13 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 54.73 1wmk s GLU 259 Cb 0.09 -1.54 -0.10 0.00 0.10 0.00 0.00 34.13 32.67 1wmk s GLU 259 CO 0.69 -4.05 -0.00 0.25 0.02 0.00 0.00 175.26 172.17 1wmk n THR 260 N -4.98 0.64 -0.05 3.63 -2.24 -1.26 -4.34 114.28 105.68 1wmk n THR 260 Ca 0.15 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1wmk n THR 260 Cb 0.60 -0.80 -0.06 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 0.25 0.00 -0.78 3.08 -1.98 -3.23 114.38 111.72 1wmk h ARG 261 Ca -0.25 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1wmk h ARG 261 Cb 1.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1wmk h ARG 261 CO 0.00 0.50 0.00 1.17 -1.07 0.00 0.00 179.97 180.57 1wmk n LYS 262 N -4.76 0.09 -2.69 0.04 4.81 -1.26 -4.78 118.16 109.60 1wmk n LYS 262 Ca -0.05 0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 1wmk n LYS 262 Cb 0.22 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 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 -2.91 4.75 0.37 1.64 3.52 -1.22 -4.96 118.95 120.14 1wmk s ARG 263 Ca 0.17 1.53 -0.28 0.00 -0.13 0.00 0.00 55.73 57.01 1wmk s ARG 263 Cb 0.19 -3.31 -0.11 0.00 -1.56 0.00 0.00 34.95 30.16 1wmk s ARG 263 CO 0.51 0.33 1.49 1.28 -0.81 0.00 0.00 175.30 178.09 1wmk n LEU 264 N 2.06 4.74 -4.91 -0.88 4.32 -1.22 -4.98 117.00 116.13 1wmk n LEU 264 Ca 0.00 1.23 -0.27 0.00 -0.02 0.00 0.00 56.01 56.95 1wmk n LEU 264 Cb 0.48 -1.62 0.06 0.00 -1.62 0.00 0.00 43.42 40.72 1wmk n LEU 264 CO 0.51 0.15 0.64 0.42 -1.22 0.00 0.00 177.39 177.89 1wmk s THR 265 N -1.08 2.81 0.33 -5.08 -4.23 -1.26 -4.86 115.64 102.27 1wmk s THR 265 Ca 0.54 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1wmk s THR 265 Cb -0.48 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.29 1wmk s THR 265 CO 0.63 -0.23 1.83 -0.29 -0.54 0.00 0.00 174.62 176.03 1wmk h ILE 266 N -0.55 1.22 -0.54 2.99 6.09 -1.96 -1.78 117.51 122.97 1wmk h ILE 266 Ca -0.45 -0.93 -0.03 0.00 -1.37 0.00 0.00 64.86 62.07 1wmk h ILE 266 Cb 1.29 1.11 -0.02 0.00 0.47 0.00 0.00 36.82 39.67 1wmk h ILE 266 CO 0.62 0.31 0.20 1.56 -3.07 0.00 0.00 178.15 177.77 1wmk h GLN 267 N 0.44 0.82 0.00 2.19 7.50 -1.98 -2.27 115.11 121.81 1wmk h GLN 267 Ca 0.09 -0.16 -0.05 0.00 0.50 0.00 0.00 58.65 59.03 1wmk h GLN 267 Cb 0.44 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1wmk h GLN 267 CO 0.02 0.73 -0.23 0.93 -1.50 0.00 0.00 178.83 178.78 1wmk h GLU 268 N 0.74 0.00 -0.21 1.46 5.08 -1.83 -1.08 114.58 118.74 1wmk h GLU 268 Ca 0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 1wmk h GLU 268 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wmk h GLU 268 CO -0.01 0.23 -0.58 0.00 -1.00 0.00 0.00 179.01 177.65 1wmk h ALA 269 N 1.77 0.59 -0.01 3.43 0.00 -0.93 -2.81 119.26 121.31 1wmk h ALA 269 Ca -0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1wmk h ALA 269 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wmk h ALA 269 CO 0.03 0.69 -0.80 -0.07 0.00 0.00 0.00 179.25 179.10 1wmk h LEU 270 N 0.51 0.14 -2.93 0.00 3.38 -1.14 -3.08 115.31 112.19 1wmk h LEU 270 Ca 0.00 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 1wmk h LEU 270 Cb 1.15 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 1wmk h LEU 270 CO 0.11 0.89 0.27 0.54 0.09 0.00 0.00 178.44 180.34 1wmk n ARG 271 N -3.66 2.06 -3.75 1.13 1.74 -0.43 -3.85 116.66 109.90 1wmk n ARG 271 Ca -0.02 -1.67 -0.37 0.00 -0.77 0.00 0.00 57.85 55.02 1wmk n ARG 271 Cb 0.76 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.85 3.58 0.26 -1.55 2.46 -1.07 -4.93 115.29 112.19 1wmk s HIS 272 Ca 0.31 0.59 -0.08 0.00 0.47 0.00 0.00 55.06 56.35 1wmk s HIS 272 Cb 0.25 -2.08 0.43 0.00 -0.13 0.00 0.00 32.58 31.05 1wmk s HIS 272 CO 0.07 0.59 1.59 -1.35 -2.47 0.00 0.00 174.74 173.17 1wmk h PRO 273 N 5.39 0.02 -0.32 2.88 0.11 -1.91 0.30 132.00 138.48 1wmk h PRO 273 Ca -0.51 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wmk h PRO 273 Cb 1.21 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1wmk h PRO 273 CO 0.64 0.01 0.20 2.35 -0.21 0.00 0.00 178.00 180.98 1wmk h TRP 274 N 0.02 0.40 0.00 0.65 7.01 -1.94 -2.14 115.95 119.95 1wmk h TRP 274 Ca 0.44 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.32 1wmk h TRP 274 Cb 0.72 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1wmk h TRP 274 CO -0.62 0.27 -0.71 0.82 -2.79 0.00 0.00 178.44 175.42 1wmk h ILE 275 N 0.43 1.00 -3.34 2.65 1.08 -1.37 -3.45 117.51 114.52 1wmk h ILE 275 Ca 0.12 -2.01 -0.60 0.00 -0.39 0.00 0.00 64.86 61.98 1wmk h ILE 275 Cb -0.02 2.15 -0.40 0.00 -3.07 0.00 0.00 36.82 35.48 1wmk h ILE 275 CO -0.02 0.34 -0.75 -0.89 -0.69 0.00 0.00 178.15 176.14 1wmk s THR 276 N -2.25 1.29 0.86 -0.27 2.01 0.89 -5.01 115.64 113.17 1wmk s THR 276 Ca -0.22 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.04 1wmk s THR 276 Cb 0.02 -1.93 0.11 0.00 0.01 0.00 0.00 72.50 70.71 1wmk s THR 276 CO 0.53 -0.60 1.17 -2.84 -0.69 0.00 0.00 174.62 172.20 1wmk s PRO 277 N 1.41 1.55 -0.19 4.92 0.02 -0.81 -3.81 135.00 138.10 1wmk s PRO 277 Ca 0.09 0.14 0.02 0.00 0.02 0.00 0.00 61.00 61.27 1wmk s PRO 277 Cb -0.18 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.32 1wmk s PRO 277 CO -0.19 -1.89 -0.16 0.28 -0.33 0.00 0.00 177.00 174.71 1wmk n VAL 278 N -3.53 1.07 -4.36 3.83 0.31 -1.26 -5.02 118.33 109.37 1wmk n VAL 278 Ca 0.08 -0.42 -0.20 0.00 -0.01 0.00 0.00 64.34 63.80 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 -5.78 1.73 0.40 4.52 -4.77 -1.26 -5.06 116.67 106.45 1wmk s ASP 279 Ca -0.25 -1.58 0.18 0.00 -3.30 0.00 0.00 52.55 47.61 1wmk s ASP 279 Cb 0.06 0.39 0.81 0.00 -1.09 0.00 0.00 42.92 43.10 1wmk s ASP 279 CO 0.44 -0.89 1.81 0.78 0.70 0.00 0.00 175.17 178.00 1wmk h ASN 280 N 2.15 0.00 -0.50 2.11 2.35 -1.98 -2.59 115.58 117.12 1wmk h ASN 280 Ca -0.33 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 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 0.52 0.34 0.26 -0.61 -1.65 0.00 0.00 177.43 176.29 1wmk h GLN 281 N 0.00 0.75 0.21 0.81 -0.00 -2.00 0.24 115.11 115.12 1wmk h GLN 281 Ca -0.00 -0.09 -0.30 0.00 -0.00 0.00 0.00 58.65 58.26 1wmk h GLN 281 Cb 0.75 -0.15 0.03 0.00 0.00 0.00 0.00 27.48 28.11 1wmk h GLN 281 CO 0.04 0.58 -1.36 1.96 0.00 0.00 0.00 178.83 180.06 1wmk h GLN 282 N 0.75 0.44 0.00 1.69 4.20 -1.98 -3.35 115.11 116.86 1wmk h GLN 282 Ca 0.19 -0.76 0.00 0.00 0.06 0.00 0.00 58.65 58.14 1wmk h GLN 282 Cb 0.08 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wmk h GLN 282 CO -0.03 1.36 0.00 0.00 -0.67 0.00 0.00 178.83 179.50 1wmk h ALA 283 N 0.11 1.00 0.22 3.87 0.00 -1.03 -2.51 119.26 120.93 1wmk h ALA 283 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.34 1wmk h ALA 283 Cb 2.01 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.83 1wmk h ALA 283 CO 0.22 0.00 -1.40 1.98 0.00 0.00 0.00 179.25 180.05 1wmk h MET 284 N 0.00 0.55 -0.13 0.00 1.85 -0.68 -2.66 114.93 113.87 1wmk h MET 284 Ca 0.00 -0.89 -0.02 0.00 -0.61 0.00 0.00 59.70 58.18 1wmk h MET 284 Cb 0.39 0.32 -0.00 0.00 0.43 0.00 0.00 31.60 32.74 1wmk h MET 284 CO 0.00 1.42 0.01 0.28 -0.40 0.00 0.00 176.91 178.22 1wmk h VAL 285 N 0.14 1.24 -0.89 -5.77 2.07 -1.63 -1.20 116.25 110.21 1wmk h VAL 285 Ca -0.24 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.60 1wmk h VAL 285 Cb 2.09 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 33.32 1wmk h VAL 285 CO 0.26 0.23 0.58 -0.09 0.02 0.00 0.00 177.57 178.57 1wmk h ARG 286 N -0.04 0.87 -0.11 1.57 2.43 -1.56 -1.95 114.38 115.59 1wmk h ARG 286 Ca 0.04 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1wmk h ARG 286 Cb 0.34 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1wmk h ARG 286 CO 0.01 0.58 -0.43 -0.09 -1.51 0.00 0.00 179.97 178.52 1wmk h ARG 287 N 0.90 0.49 -0.18 0.20 2.43 -1.34 -2.90 114.38 113.98 1wmk h ARG 287 Ca 0.41 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1wmk h ARG 287 Cb 0.39 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1wmk h ARG 287 CO -0.17 1.01 0.00 0.39 -1.51 0.00 0.00 179.97 179.68 1wmk n GLU 288 N -4.29 1.36 -4.09 0.20 1.02 -0.47 -4.66 120.64 109.71 1wmk n GLU 288 Ca -0.08 -0.52 -0.23 0.00 -0.02 0.00 0.00 57.16 56.30 1wmk n GLU 288 Cb 0.56 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.96 5.58 0.24 1.62 0.01 -0.79 -5.04 113.70 114.37 1wmk s SER 289 Ca 0.10 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.20 1wmk s SER 289 Cb 0.05 -1.45 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 1wmk s SER 289 CO 0.06 -0.00 0.02 0.68 0.41 0.00 0.00 173.24 174.41 1wmk s VAL 290 N -1.99 0.94 -0.14 3.43 -7.23 -1.22 -1.45 120.40 112.74 1wmk s VAL 290 Ca 0.32 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 1wmk s VAL 290 Cb -0.09 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1wmk s VAL 290 CO 0.25 -0.25 0.20 -0.69 -0.31 0.00 0.00 175.10 174.30 1wmk s VAL 291 N -3.48 5.38 -1.02 1.32 1.01 -1.22 -4.55 120.40 117.84 1wmk s VAL 291 Ca 0.30 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 1wmk s VAL 291 Cb 0.06 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1wmk s VAL 291 CO 0.10 0.51 1.84 0.21 0.00 0.00 0.00 175.10 177.76 1wmk s ASN 292 N -0.27 5.48 0.42 3.32 3.04 -1.04 -4.78 114.94 121.10 1wmk s ASN 292 Ca 0.14 -1.17 0.23 0.00 0.04 0.00 0.00 52.86 52.10 1wmk s ASN 292 Cb -0.12 -2.57 0.78 0.00 -1.54 0.00 0.00 41.25 37.79 1wmk s ASN 292 CO 0.03 -2.49 1.76 -0.07 -3.04 0.00 0.00 177.10 173.29 1wmk h LEU 293 N 16.58 0.00 0.37 3.21 -0.00 -1.88 -2.27 115.31 131.32 1wmk h LEU 293 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1wmk h LEU 293 Cb 0.98 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 1wmk h LEU 293 CO 1.27 0.26 -0.34 -0.33 -0.00 0.00 0.00 178.44 179.30 1wmk h GLU 294 N 0.00 -0.69 -0.27 1.13 5.08 -1.92 -1.69 114.58 116.22 1wmk h GLU 294 Ca -0.00 0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1wmk h GLU 294 Cb 0.85 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1wmk h GLU 294 CO 0.03 -0.46 -0.56 -0.97 -1.00 0.00 0.00 179.01 176.05 1wmk h ASN 295 N -0.72 0.92 -0.03 1.42 -1.24 -1.77 -2.77 115.58 111.39 1wmk h ASN 295 Ca -0.03 -0.50 -0.02 0.00 0.71 0.00 0.00 56.30 56.47 1wmk h ASN 295 Cb 0.64 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1wmk h ASN 295 CO -0.04 1.28 -0.03 0.15 -1.29 0.00 0.00 177.43 177.50 1wmk h PHE 296 N 0.63 0.16 0.02 0.67 3.57 -0.99 0.13 116.94 121.14 1wmk h PHE 296 Ca 0.01 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 1wmk h PHE 296 Cb 1.16 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.86 1wmk h PHE 296 CO 0.07 0.20 -0.51 -0.09 -2.23 0.00 0.00 178.31 175.75 1wmk h ARG 297 N 0.16 0.30 -0.48 1.11 2.43 -1.29 -2.63 114.38 113.99 1wmk h ARG 297 Ca 0.04 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1wmk h ARG 297 Cb 0.17 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1wmk h ARG 297 CO 0.01 1.07 0.09 -0.22 -1.51 0.00 0.00 179.97 179.40 1wmk h LYS 298 N -0.31 0.74 0.09 0.20 3.64 -1.15 -1.21 116.57 118.57 1wmk h LYS 298 Ca -0.07 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.00 1wmk h LYS 298 Cb 1.27 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1wmk h LYS 298 CO 0.10 0.69 -0.68 1.96 -2.27 0.00 0.00 179.45 179.25 1wmk h GLN 299 N 0.71 0.29 0.00 1.90 1.08 -1.10 -3.31 115.11 114.68 1wmk h GLN 299 Ca 0.16 -0.44 -0.05 0.00 -1.45 0.00 0.00 58.65 56.86 1wmk h GLN 299 Cb 0.31 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1wmk h GLN 299 CO 0.00 1.18 -0.24 -0.92 -0.95 0.00 0.00 178.83 177.90 1wmk h TYR 300 N -0.37 0.00 -0.54 2.96 3.20 -1.42 -2.85 116.97 117.95 1wmk h TYR 300 Ca -0.11 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 1wmk h TYR 300 Cb 1.49 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.74 1wmk h TYR 300 CO 0.19 0.24 0.15 0.28 -1.64 0.00 0.00 178.16 177.38 1wmk h VAL 301 N 0.00 1.22 0.00 1.81 2.07 -1.30 -2.89 116.25 117.15 1wmk h VAL 301 Ca -0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1wmk h VAL 301 Cb 0.62 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1wmk h VAL 301 CO 0.03 0.29 0.00 0.54 0.02 0.00 0.00 177.57 178.45 1wmk n ARG 302 N -4.29 0.60 -1.42 1.57 1.74 -1.08 -3.31 116.66 110.47 1wmk n ARG 302 Ca 0.04 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 1wmk n ARG 302 Cb 0.21 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 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 2.61 -3.15 5.56 1.74 -1.09 -4.75 116.66 116.48 1wmk n ARG 303 Ca 0.15 -3.15 0.04 0.00 -0.77 0.00 0.00 57.85 54.12 1wmk n ARG 303 Cb 0.11 -2.22 -0.00 0.00 -1.02 0.00 0.00 32.46 29.33 1wmk n ARG 303 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wmk s ARG 304 N -3.64 0.45 0.00 5.56 0.52 -1.21 -5.12 118.95 115.52 1wmk s ARG 304 Ca 0.59 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1wmk s ARG 304 Cb 0.47 0.29 0.00 0.00 0.52 0.00 0.00 34.95 36.23 1wmk s ARG 304 CO -0.10 -0.72 0.00 0.91 0.02 0.00 0.00 175.30 175.41