#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oo5 s LYS 2 N 0.00 3.79 -0.06 2.12 1.02 -1.26 -1.06 119.74 124.29 2oo5 s LYS 2 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.60 2oo5 s LYS 2 Cb 0.00 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2oo5 s LYS 2 CO 0.00 0.30 -0.12 -1.50 -0.92 0.00 0.00 175.35 173.11 2oo5 s ILE 3 N 0.26 3.26 -0.03 2.17 2.07 -0.58 -0.73 121.20 127.63 2oo5 s ILE 3 Ca 0.01 -0.64 0.04 0.00 -1.41 0.00 0.00 60.65 58.65 2oo5 s ILE 3 Cb -0.13 -2.30 -0.01 0.00 0.13 0.00 0.00 42.46 40.15 2oo5 s ILE 3 CO 0.01 0.59 -0.14 0.00 -1.91 0.00 0.00 174.94 173.49 2oo5 s ALA 4 N -0.68 1.25 -0.14 1.50 0.00 0.06 -0.16 121.76 123.58 2oo5 s ALA 4 Ca 0.10 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 2oo5 s ALA 4 Cb -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.66 2oo5 s ALA 4 CO 0.01 0.25 -0.07 0.42 0.00 0.00 0.00 175.76 176.38 2oo5 s ILE 5 N -0.08 1.10 0.64 0.00 1.09 -0.76 -1.26 121.20 121.93 2oo5 s ILE 5 Ca 0.00 -0.50 -0.02 0.00 -1.10 0.00 0.00 60.65 59.04 2oo5 s ILE 5 Cb -0.08 -1.20 0.07 0.00 -1.06 0.00 0.00 42.46 40.18 2oo5 s ILE 5 CO 0.01 0.24 0.90 -2.16 -0.10 0.00 0.00 174.94 173.83 2oo5 s PRO 6 N 1.66 2.21 0.34 2.79 0.04 -1.26 -1.82 135.00 138.96 2oo5 s PRO 6 Ca 0.03 -0.70 -0.27 0.00 0.04 0.00 0.00 61.00 60.10 2oo5 s PRO 6 Cb -0.14 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 2oo5 s PRO 6 CO -0.08 -1.06 1.10 0.21 0.04 0.00 0.00 177.00 177.20 2oo5 s LYS 7 N -5.01 4.37 0.01 4.56 2.20 -1.26 -4.76 119.74 119.85 2oo5 s LYS 7 Ca 0.60 1.72 -0.30 0.00 -0.36 0.00 0.00 55.97 57.63 2oo5 s LYS 7 Cb -0.09 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.30 2oo5 s LYS 7 CO 0.42 -0.01 1.39 -1.21 -0.36 0.00 0.00 175.35 175.58 2oo5 s GLU 8 N -1.96 4.29 0.04 4.03 0.41 -1.26 -4.93 118.70 119.32 2oo5 s GLU 8 Ca 0.51 1.96 0.22 0.00 -0.41 0.00 0.00 54.97 57.25 2oo5 s GLU 8 Cb -0.28 -3.55 -0.23 0.00 -1.78 0.00 0.00 34.13 28.29 2oo5 s GLU 8 CO 0.36 -0.56 0.65 0.54 -0.49 0.00 0.00 175.26 175.76 2oo5 n ARG 9 N 5.25 0.64 -2.13 1.61 5.12 -1.26 -4.93 116.66 120.96 2oo5 n ARG 9 Ca 0.13 -0.08 -0.36 0.00 -1.93 0.00 0.00 57.85 55.60 2oo5 n ARG 9 Cb 0.44 -1.62 0.01 0.00 -1.16 0.00 0.00 32.46 30.13 2oo5 n ARG 9 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2oo5 s ARG 10 N -3.42 3.32 0.23 5.56 0.52 -1.26 -4.96 118.95 118.93 2oo5 s ARG 10 Ca -0.06 1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 56.65 2oo5 s ARG 10 Cb 0.12 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 2oo5 s ARG 10 CO 0.87 -0.92 1.15 -2.14 0.02 0.00 0.00 175.30 174.27 2oo5 s PRO 11 N -3.10 4.56 0.00 3.54 0.02 -1.26 -2.98 135.00 135.78 2oo5 s PRO 11 Ca 0.72 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2oo5 s PRO 11 Cb -0.29 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2oo5 s PRO 11 CO 0.33 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.46 2oo5 n GLY 12 N 1.71 2.92 3.57 0.52 0.00 -1.26 -5.01 105.19 107.64 2oo5 n GLY 12 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2oo5 n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oo5 s GLU 13 N -0.16 3.26 0.00 1.61 2.56 -1.16 -4.85 118.70 119.97 2oo5 s GLU 13 Ca 0.00 0.30 0.24 0.00 0.00 0.00 0.00 54.97 55.51 2oo5 s GLU 13 Cb 0.00 -4.14 0.23 0.00 2.00 0.00 0.00 34.13 32.22 2oo5 s GLU 13 CO 0.00 -2.00 1.24 -0.25 -0.56 0.00 0.00 175.26 173.70 2oo5 n ASP 14 N 9.59 2.02 -4.80 -1.70 8.00 -1.26 -4.75 116.55 123.65 2oo5 n ASP 14 Ca 0.11 -1.51 -0.29 0.00 0.71 0.00 0.00 54.79 53.81 2oo5 n ASP 14 Cb 0.49 0.30 0.13 0.00 -0.02 0.00 0.00 41.12 42.02 2oo5 n ASP 14 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2oo5 s ARG 15 N -2.36 1.30 -0.03 -1.24 0.52 -1.26 -3.22 118.95 112.65 2oo5 s ARG 15 Ca 0.23 0.27 -0.14 0.00 -0.52 0.00 0.00 55.73 55.57 2oo5 s ARG 15 Cb 0.19 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.82 2oo5 s ARG 15 CO 0.50 -2.09 0.30 0.54 0.02 0.00 0.00 175.30 174.57 2oo5 s VAL 16 N -3.32 0.05 -0.81 3.52 0.11 -1.26 -4.41 120.40 114.28 2oo5 s VAL 16 Ca 0.63 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 59.22 2oo5 s VAL 16 Cb -0.14 -0.58 0.13 0.00 -1.53 0.00 0.00 36.38 34.26 2oo5 s VAL 16 CO 0.53 -0.23 2.50 0.00 -3.33 0.00 0.00 175.10 174.56 2oo5 n ALA 17 N 1.52 6.55 -3.52 1.54 0.00 -1.26 -4.60 120.51 120.73 2oo5 n ALA 17 Ca -0.20 -3.61 -0.11 0.00 0.00 0.00 0.00 53.44 49.52 2oo5 n ALA 17 Cb 0.56 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 2oo5 n ALA 17 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2oo5 s ILE 18 N -2.39 0.00 0.10 0.00 1.10 -1.26 -4.73 121.20 114.01 2oo5 s ILE 18 Ca 0.55 0.00 -0.07 0.00 -0.51 0.00 0.00 60.65 60.62 2oo5 s ILE 18 Cb 0.31 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.91 2oo5 s ILE 18 CO -0.20 0.00 0.16 -0.94 -2.11 0.00 0.00 174.94 171.85 2oo5 s SER 19 N -1.87 0.18 0.29 4.50 1.04 -1.26 -4.45 113.70 112.14 2oo5 s SER 19 Ca -0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2oo5 s SER 19 Cb -0.01 0.33 0.50 0.00 0.10 0.00 0.00 66.02 66.95 2oo5 s SER 19 CO -0.03 -0.74 1.88 -0.65 0.98 0.00 0.00 173.24 174.69 2oo5 h PRO 20 N 2.79 1.03 -0.53 4.02 0.11 -1.95 -1.38 132.00 136.09 2oo5 h PRO 20 Ca -0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 2oo5 h PRO 20 Cb 1.19 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2oo5 h PRO 20 CO 0.57 0.68 0.28 1.49 -0.21 0.00 0.00 178.00 180.81 2oo5 h GLU 21 N 1.06 0.74 0.00 1.05 4.81 -1.97 -2.97 114.58 117.31 2oo5 h GLU 21 Ca 0.43 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 2oo5 h GLU 21 Cb 0.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2oo5 h GLU 21 CO -0.18 0.59 -0.49 0.28 -0.73 0.00 0.00 179.01 178.48 2oo5 h VAL 22 N 0.71 1.07 0.45 0.32 2.07 -1.89 -2.94 116.25 116.04 2oo5 h VAL 22 Ca 0.19 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 2oo5 h VAL 22 Cb 0.06 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2oo5 h VAL 22 CO -0.03 0.48 -0.26 0.58 0.02 0.00 0.00 177.57 178.36 2oo5 h VAL 23 N 0.00 0.47 0.00 2.57 2.07 -1.10 -1.44 116.25 118.81 2oo5 h VAL 23 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2oo5 h VAL 23 Cb 1.05 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2oo5 h VAL 23 CO 0.06 0.00 -0.24 0.07 0.02 0.00 0.00 177.57 177.48 2oo5 h LYS 24 N -0.67 0.00 -0.36 1.57 2.10 -1.54 -0.32 116.57 117.35 2oo5 h LYS 24 Ca -0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2oo5 h LYS 24 Cb 0.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2oo5 h LYS 24 CO 0.07 0.24 0.07 0.87 -2.00 0.00 0.00 179.45 178.70 2oo5 h LYS 25 N 0.00 0.58 -0.73 0.07 1.79 -1.43 -0.30 116.57 116.56 2oo5 h LYS 25 Ca -0.00 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.26 2oo5 h LYS 25 Cb 0.47 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 2oo5 h LYS 25 CO 0.03 0.64 0.21 -0.07 -1.08 0.00 0.00 179.45 179.19 2oo5 h LEU 26 N 0.43 1.07 -0.85 2.94 3.38 -0.72 -1.19 115.31 120.38 2oo5 h LEU 26 Ca 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2oo5 h LEU 26 Cb 0.33 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2oo5 h LEU 26 CO 0.00 1.01 0.38 0.58 0.09 0.00 0.00 178.44 180.50 2oo5 h VAL 27 N 1.09 1.26 -0.40 1.22 2.07 -1.02 -1.03 116.25 119.45 2oo5 h VAL 27 Ca 0.23 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2oo5 h VAL 27 Cb 0.33 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2oo5 h VAL 27 CO -0.00 0.32 0.05 1.23 0.02 0.00 0.00 177.57 179.19 2oo5 h GLY 28 N 1.20 0.66 2.00 2.17 0.00 -0.67 -1.74 103.07 106.69 2oo5 h GLY 28 Ca 0.28 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2oo5 h GLY 28 CO -0.03 0.35 0.00 1.41 0.00 0.00 0.00 176.54 178.27 2oo5 h LEU 29 N 0.59 0.00 0.00 3.11 4.07 -0.94 -3.47 115.31 118.67 2oo5 h LEU 29 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2oo5 h LEU 29 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2oo5 h LEU 29 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 2oo5 n GLY 30 N 0.09 0.96 3.78 0.83 0.00 -0.65 -4.82 105.19 105.37 2oo5 n GLY 30 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2oo5 n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oo5 s PHE 31 N -2.00 2.73 -0.41 1.61 0.40 -0.47 -4.54 117.98 115.31 2oo5 s PHE 31 Ca 0.00 1.55 -0.18 0.00 -0.60 0.00 0.00 56.93 57.69 2oo5 s PHE 31 Cb 0.00 -3.20 0.01 0.00 0.51 0.00 0.00 43.02 40.34 2oo5 s PHE 31 CO 0.00 -1.45 0.50 -1.21 0.70 0.00 0.00 175.22 173.76 2oo5 s GLU 32 N -3.55 3.28 -0.21 0.44 2.02 -0.22 -4.16 118.70 116.30 2oo5 s GLU 32 Ca 0.70 -0.51 -0.23 0.00 0.02 0.00 0.00 54.97 54.94 2oo5 s GLU 32 Cb -0.21 -3.92 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 2oo5 s GLU 32 CO 0.30 -0.83 0.75 0.08 0.02 0.00 0.00 175.26 175.59 2oo5 s VAL 33 N 2.36 4.91 0.01 2.63 1.01 -1.26 -1.52 120.40 128.54 2oo5 s VAL 33 Ca 0.16 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.61 2oo5 s VAL 33 Cb -0.16 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2oo5 s VAL 33 CO 0.15 0.01 -0.09 -0.63 0.00 0.00 0.00 175.10 174.54 2oo5 s ILE 34 N 2.38 3.47 -0.05 2.22 1.01 0.78 -0.17 121.20 130.84 2oo5 s ILE 34 Ca 0.33 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2oo5 s ILE 34 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.83 2oo5 s ILE 34 CO 0.10 0.40 0.15 0.54 0.00 0.00 0.00 174.94 176.12 2oo5 s VAL 35 N -0.97 0.01 0.47 2.92 0.11 0.06 -1.84 120.40 121.16 2oo5 s VAL 35 Ca 0.16 -0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 58.90 2oo5 s VAL 35 Cb -0.11 -0.24 -0.07 0.00 -1.53 0.00 0.00 36.38 34.43 2oo5 s VAL 35 CO 0.07 -0.05 1.17 -0.70 -3.33 0.00 0.00 175.10 172.26 2oo5 s GLU 36 N -0.10 3.72 0.30 1.54 2.12 -0.76 -0.71 118.70 124.82 2oo5 s GLU 36 Ca -0.02 1.78 -0.29 0.00 0.36 0.00 0.00 54.97 56.80 2oo5 s GLU 36 Cb -0.02 -2.38 -0.10 0.00 0.26 0.00 0.00 34.13 31.89 2oo5 s GLU 36 CO 0.00 -0.59 1.31 1.14 -0.54 0.00 0.00 175.26 176.58 2oo5 s GLN 37 N -2.73 4.37 -0.42 4.30 -2.07 -0.08 -2.89 119.66 120.13 2oo5 s GLN 37 Ca 0.64 2.17 0.00 0.00 -1.82 0.00 0.00 55.36 56.35 2oo5 s GLN 37 Cb -0.29 -3.10 0.00 0.00 -1.09 0.00 0.00 33.01 28.53 2oo5 s GLN 37 CO 0.35 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.53 2oo5 n GLY 38 N 1.22 0.66 0.18 2.60 0.00 -1.26 -4.90 105.19 103.69 2oo5 n GLY 38 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.69 2oo5 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 h ALA 39 N 0.00 1.23 -0.37 4.61 0.00 -1.86 -3.20 119.26 119.67 2oo5 h ALA 39 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2oo5 h ALA 39 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2oo5 h ALA 39 CO 0.12 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2oo5 n GLY 40 N -0.26 3.56 0.28 0.00 0.00 -1.26 -4.59 105.19 102.92 2oo5 n GLY 40 Ca -0.02 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2oo5 n GLY 40 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2oo5 h VAL 41 N 2.48 1.27 0.00 1.61 2.07 -1.62 0.56 116.25 122.62 2oo5 h VAL 41 Ca 0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2oo5 h VAL 41 Cb 1.47 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2oo5 h VAL 41 CO 0.25 0.50 0.00 1.23 0.02 0.00 0.00 177.57 179.57 2oo5 h GLY 42 N 0.84 0.00 -2.53 2.17 0.00 -1.83 -3.13 103.07 98.59 2oo5 h GLY 42 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 2oo5 h GLY 42 CO 0.08 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.72 2oo5 n ALA 43 N -2.08 4.00 -3.97 3.60 0.00 -0.98 -4.55 120.51 116.53 2oo5 n ALA 43 Ca 0.01 -2.57 -0.31 0.00 0.00 0.00 0.00 53.44 50.57 2oo5 n ALA 43 Cb 0.31 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.84 2oo5 n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2oo5 n SER 44 N -0.58 -4.59 -3.99 0.00 7.64 -0.97 -4.35 113.62 106.78 2oo5 n SER 44 Ca 0.33 -0.82 -0.31 0.00 1.01 0.00 0.00 58.87 59.08 2oo5 n SER 44 Cb 1.14 -3.71 -0.15 0.00 -1.01 0.00 0.00 64.21 60.48 2oo5 n SER 44 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oo5 s ILE 45 N -3.30 1.97 0.62 0.44 1.01 0.19 -5.02 121.20 117.11 2oo5 s ILE 45 Ca 0.68 -1.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 2oo5 s ILE 45 Cb -0.35 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2oo5 s ILE 45 CO 0.85 -0.35 1.04 0.42 0.00 0.00 0.00 174.94 176.90 2oo5 s THR 46 N 1.12 4.10 0.30 2.92 -4.23 -1.26 -3.66 115.64 114.93 2oo5 s THR 46 Ca 0.02 0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 61.37 2oo5 s THR 46 Cb -0.19 -3.50 0.20 0.00 1.34 0.00 0.00 72.50 70.36 2oo5 s THR 46 CO -0.08 -0.73 1.90 0.44 -0.54 0.00 0.00 174.62 175.60 2oo5 h ASP 47 N 0.02 0.82 -0.70 3.99 3.32 -1.98 -2.54 116.42 119.35 2oo5 h ASP 47 Ca -0.45 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 2oo5 h ASP 47 Cb 1.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 2oo5 h ASP 47 CO 0.58 0.70 0.42 0.44 -1.72 0.00 0.00 179.24 179.66 2oo5 h ASP 48 N 0.90 0.86 -0.34 6.45 5.19 -1.98 0.26 116.42 127.76 2oo5 h ASP 48 Ca 0.22 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.47 2oo5 h ASP 48 Cb 0.10 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2oo5 h ASP 48 CO -0.03 0.67 -0.17 0.00 -3.12 0.00 0.00 179.24 176.60 2oo5 h ALA 49 N 1.47 0.90 -0.22 3.45 0.00 -1.85 0.12 119.26 123.15 2oo5 h ALA 49 Ca 0.26 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2oo5 h ALA 49 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2oo5 h ALA 49 CO -0.05 0.63 -0.60 -0.07 0.00 0.00 0.00 179.25 179.16 2oo5 h LEU 50 N 0.72 0.90 -0.53 0.00 3.38 -1.08 -2.40 115.31 116.29 2oo5 h LEU 50 Ca 0.11 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2oo5 h LEU 50 Cb 0.68 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2oo5 h LEU 50 CO 0.05 1.32 0.21 0.74 0.09 0.00 0.00 178.44 180.85 2oo5 h THR 51 N 0.53 1.22 -0.55 0.22 2.02 -0.41 -1.05 112.91 114.89 2oo5 h THR 51 Ca -0.01 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 2oo5 h THR 51 Cb 1.21 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 2oo5 h THR 51 CO 0.13 0.26 0.18 0.00 0.37 0.00 0.00 175.52 176.45 2oo5 h ALA 52 N 1.06 1.28 0.00 6.16 0.00 -0.80 -2.23 119.26 124.73 2oo5 h ALA 52 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2oo5 h ALA 52 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2oo5 h ALA 52 CO -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 2oo5 h ALA 53 N 1.39 1.22 0.00 0.00 0.00 -1.28 -3.47 119.26 117.13 2oo5 h ALA 53 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2oo5 h ALA 53 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oo5 h ALA 53 CO -0.01 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2oo5 n GLY 54 N -0.55 0.62 3.90 0.00 0.00 -0.84 -3.76 105.19 104.57 2oo5 n GLY 54 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2oo5 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 s ALA 55 N -1.43 3.30 -0.15 4.61 0.00 -0.43 -4.68 121.76 122.97 2oo5 s ALA 55 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2oo5 s ALA 55 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2oo5 s ALA 55 CO 0.00 -0.52 0.23 0.99 0.00 0.00 0.00 175.76 176.46 2oo5 s THR 56 N -2.91 5.35 -0.02 0.00 2.01 0.77 -4.32 115.64 116.52 2oo5 s THR 56 Ca 0.50 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.71 2oo5 s THR 56 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2oo5 s THR 56 CO 0.47 0.46 0.59 -0.63 -0.69 0.00 0.00 174.62 174.83 2oo5 s ILE 57 N 0.01 4.95 0.07 1.82 -1.09 -1.26 -0.76 121.20 124.93 2oo5 s ILE 57 Ca 0.15 1.22 0.07 0.00 -2.23 0.00 0.00 60.65 59.86 2oo5 s ILE 57 Cb -0.13 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2oo5 s ILE 57 CO 0.03 0.40 -0.12 0.00 -1.23 0.00 0.00 174.94 174.02 2oo5 s ALA 58 N -0.07 2.84 0.17 9.38 0.00 0.12 -4.92 121.76 129.28 2oo5 s ALA 58 Ca 0.31 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 2oo5 s ALA 58 Cb -0.18 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.13 2oo5 s ALA 58 CO 0.17 0.61 1.54 0.77 0.00 0.00 0.00 175.76 178.85 2oo5 h SER 59 N 4.04 0.89 -3.44 0.00 0.02 -1.96 -0.19 113.55 112.91 2oo5 h SER 59 Ca -0.49 -0.38 -0.49 0.00 -0.84 0.00 0.00 61.79 59.60 2oo5 h SER 59 Cb 1.16 -0.25 -0.14 0.00 0.14 0.00 0.00 62.40 63.32 2oo5 h SER 59 CO 0.50 1.14 -0.57 0.42 -1.14 0.00 0.00 176.83 177.18 2oo5 s THR 60 N -4.45 0.81 0.06 -2.27 -4.23 -1.26 -4.59 115.64 99.72 2oo5 s THR 60 Ca -0.10 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 2oo5 s THR 60 Cb 0.12 -2.57 -0.12 0.00 1.34 0.00 0.00 72.50 71.27 2oo5 s THR 60 CO 0.86 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 176.33 2oo5 h ALA 61 N 2.02 0.30 -0.70 3.99 0.00 -1.98 -3.06 119.26 119.83 2oo5 h ALA 61 Ca -0.38 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.25 2oo5 h ALA 61 Cb 1.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2oo5 h ALA 61 CO 0.62 0.20 0.41 0.00 0.00 0.00 0.00 179.25 180.48 2oo5 h ALA 62 N 0.66 0.93 -0.12 0.00 0.00 -1.97 -1.82 119.26 116.95 2oo5 h ALA 62 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2oo5 h ALA 62 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2oo5 h ALA 62 CO 0.04 0.12 -0.34 1.96 0.00 0.00 0.00 179.25 181.02 2oo5 h GLN 63 N 0.76 0.23 -0.18 0.00 4.20 -1.95 0.91 115.11 119.08 2oo5 h GLN 63 Ca 0.30 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.72 2oo5 h GLN 63 Cb 0.14 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.92 2oo5 h GLN 63 CO -0.16 0.56 -0.66 0.00 -0.67 0.00 0.00 178.83 177.90 2oo5 h ALA 64 N 1.44 0.33 -0.02 3.87 0.00 -1.37 -3.33 119.26 120.18 2oo5 h ALA 64 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2oo5 h ALA 64 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2oo5 h ALA 64 CO 0.05 0.62 -0.24 1.28 0.00 0.00 0.00 179.25 180.96 2oo5 n LEU 65 N -4.02 1.88 -0.16 0.00 4.32 -0.72 -4.35 117.00 113.95 2oo5 n LEU 65 Ca -0.07 -0.63 -0.04 0.00 -0.02 0.00 0.00 56.01 55.25 2oo5 n LEU 65 Cb 0.68 -0.03 0.02 0.00 -1.62 0.00 0.00 43.42 42.48 2oo5 n LEU 65 CO 0.51 0.33 0.70 0.77 -1.22 0.00 0.00 177.39 178.49 2oo5 h SER 66 N 2.56 -0.76 -0.04 -1.43 4.64 -0.93 -3.26 113.55 114.33 2oo5 h SER 66 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2oo5 h SER 66 Cb 0.70 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2oo5 h SER 66 CO 0.00 -0.24 0.00 1.67 -0.87 0.00 0.00 176.83 177.39 2oo5 n GLN 67 N -5.41 2.23 -3.76 4.77 7.27 -1.26 -4.09 117.38 117.13 2oo5 n GLN 67 Ca 0.04 -1.38 -0.30 0.00 0.07 0.00 0.00 57.00 55.43 2oo5 n GLN 67 Cb 0.32 -1.04 -0.15 0.00 2.41 0.00 0.00 30.24 31.78 2oo5 n GLN 67 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2oo5 s ALA 68 N -0.83 1.79 0.25 1.69 0.00 -1.26 -4.80 121.76 118.60 2oo5 s ALA 68 Ca 0.03 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.05 2oo5 s ALA 68 Cb 0.02 -1.71 0.32 0.00 0.00 0.00 0.00 23.12 21.75 2oo5 s ALA 68 CO 0.02 -1.74 1.71 -0.44 0.00 0.00 0.00 175.76 175.32 2oo5 h ASP 69 N 7.81 0.68 -4.50 0.00 3.32 -1.30 -3.42 116.42 119.01 2oo5 h ASP 69 Ca -0.10 -0.21 -0.66 0.00 0.02 0.00 0.00 57.03 56.08 2oo5 h ASP 69 Cb 1.00 -0.18 -0.29 0.00 0.22 0.00 0.00 39.33 40.07 2oo5 h ASP 69 CO 0.48 0.84 -0.87 -0.69 -1.72 0.00 0.00 179.24 177.27 2oo5 s VAL 70 N -4.73 1.89 -0.16 -1.35 1.01 -0.85 -0.67 120.40 115.53 2oo5 s VAL 70 Ca -0.09 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2oo5 s VAL 70 Cb 0.14 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.96 2oo5 s VAL 70 CO 0.81 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 175.55 2oo5 s VAL 71 N -0.59 1.81 -0.13 2.92 1.01 0.28 -0.76 120.40 124.93 2oo5 s VAL 71 Ca 0.09 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2oo5 s VAL 71 Cb -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2oo5 s VAL 71 CO -0.01 0.50 0.09 0.26 0.00 0.00 0.00 175.10 175.95 2oo5 s TRP 72 N 1.37 3.42 0.16 5.22 0.52 -0.39 -1.03 118.94 128.22 2oo5 s TRP 72 Ca 0.05 0.36 -0.17 0.00 0.02 0.00 0.00 56.10 56.35 2oo5 s TRP 72 Cb -0.13 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2oo5 s TRP 72 CO -0.11 0.55 0.47 0.21 0.02 0.00 0.00 176.95 178.09 2oo5 s LYS 73 N -0.67 1.22 -0.06 4.98 2.20 -0.80 -4.09 119.74 122.51 2oo5 s LYS 73 Ca 0.12 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 2oo5 s LYS 73 Cb -0.12 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 2oo5 s LYS 73 CO 0.02 -0.50 -0.09 0.28 -0.36 0.00 0.00 175.35 174.70 2oo5 n VAL 74 N -0.29 0.52 -2.26 4.02 0.31 -1.26 -4.14 118.33 115.22 2oo5 n VAL 74 Ca -0.14 0.39 -0.26 0.00 -0.01 0.00 0.00 64.34 64.32 2oo5 n VAL 74 Cb 0.63 -1.81 0.06 0.00 -0.91 0.00 0.00 33.84 31.81 2oo5 n VAL 74 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2oo5 s GLN 75 N -1.56 2.40 0.61 5.55 -1.52 -1.26 -1.80 119.66 122.08 2oo5 s GLN 75 Ca -0.08 -0.21 -0.16 0.00 -1.95 0.00 0.00 55.36 52.96 2oo5 s GLN 75 Cb 0.01 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 30.57 2oo5 s GLN 75 CO 0.12 -1.08 1.11 -0.98 -0.25 0.00 0.00 175.29 174.20 2oo5 s ARG 76 N -5.16 3.06 0.37 2.91 1.70 -0.73 -4.67 118.95 116.42 2oo5 s ARG 76 Ca 0.58 1.42 -0.26 0.00 -0.47 0.00 0.00 55.73 57.00 2oo5 s ARG 76 Cb -0.11 -1.98 -0.09 0.00 -0.57 0.00 0.00 34.95 32.20 2oo5 s ARG 76 CO 0.45 -1.05 1.14 -2.14 -1.08 0.00 0.00 175.30 172.62 2oo5 s PRO 77 N -3.84 4.24 -0.04 3.89 0.02 -1.26 -4.97 135.00 133.04 2oo5 s PRO 77 Ca 0.68 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 2oo5 s PRO 77 Cb -0.21 -2.80 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 2oo5 s PRO 77 CO 0.36 -0.15 1.64 -1.64 -0.33 0.00 0.00 177.00 176.89 2oo5 s MET 78 N -2.09 4.19 0.72 5.54 -1.94 -1.26 -4.82 119.30 119.63 2oo5 s MET 78 Ca 0.54 2.19 -0.12 0.00 -1.71 0.00 0.00 55.69 56.59 2oo5 s MET 78 Cb -0.30 -3.93 0.02 0.00 2.01 0.00 0.00 34.83 32.63 2oo5 s MET 78 CO 0.38 -0.82 1.11 0.95 -0.01 0.00 0.00 175.02 176.62 2oo5 s THR 79 N 3.83 3.31 0.40 2.05 -4.23 -1.25 0.05 115.64 119.80 2oo5 s THR 79 Ca 0.73 0.43 0.19 0.00 -1.18 0.00 0.00 61.69 61.86 2oo5 s THR 79 Cb -0.34 -3.42 0.20 0.00 1.34 0.00 0.00 72.50 70.29 2oo5 s THR 79 CO 0.30 -0.56 1.97 0.00 -0.54 0.00 0.00 174.62 175.79 2oo5 h ALA 80 N -0.71 1.41 0.00 3.99 0.00 -1.77 -2.38 119.26 119.81 2oo5 h ALA 80 Ca -0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2oo5 h ALA 80 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2oo5 h ALA 80 CO 0.64 0.27 -0.04 0.93 0.00 0.00 0.00 179.25 181.04 2oo5 h GLU 81 N 0.00 0.00 -0.92 0.00 3.07 -1.93 0.01 114.58 114.81 2oo5 h GLU 81 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 2oo5 h GLU 81 Cb 0.44 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.07 2oo5 h GLU 81 CO 0.03 0.04 0.58 0.39 -1.40 0.00 0.00 179.01 178.65 2oo5 n GLU 82 N -3.41 2.30 0.00 2.33 1.02 -0.90 -5.03 120.64 116.96 2oo5 n GLU 82 Ca -0.02 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 2oo5 n GLU 82 Cb 0.17 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 2oo5 n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oo5 n GLY 83 N -1.10 2.27 3.74 0.62 0.00 -0.01 -4.88 105.19 105.83 2oo5 n GLY 83 Ca 0.57 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 2oo5 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oo5 s THR 84 N 0.00 3.19 -0.64 2.61 2.01 -1.26 -4.41 115.64 117.15 2oo5 s THR 84 Ca 0.00 0.98 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 2oo5 s THR 84 Cb 0.00 -3.63 0.17 0.00 0.01 0.00 0.00 72.50 69.05 2oo5 s THR 84 CO 0.00 0.14 0.50 -0.62 -0.69 0.00 0.00 174.62 173.95 2oo5 s ASP 85 N 0.36 5.75 0.04 3.53 -1.08 -1.26 -3.83 116.67 120.18 2oo5 s ASP 85 Ca 0.57 -2.57 -0.12 0.00 -0.52 0.00 0.00 52.55 49.91 2oo5 s ASP 85 Cb -0.37 -1.98 -0.34 0.00 -1.46 0.00 0.00 42.92 38.77 2oo5 s ASP 85 CO 0.38 -0.50 1.03 -0.33 0.52 0.00 0.00 175.17 176.26 2oo5 h GLU 86 N 7.59 0.46 -0.06 4.34 5.08 -0.69 -3.31 114.58 127.99 2oo5 h GLU 86 Ca -0.03 -0.79 0.02 0.00 -1.00 0.00 0.00 59.36 57.55 2oo5 h GLU 86 Cb 1.01 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2oo5 h GLU 86 CO 0.76 1.38 0.05 -0.24 -1.00 0.00 0.00 179.01 179.95 2oo5 h VAL 87 N 0.13 0.95 0.00 3.13 3.04 -1.88 -1.48 116.25 120.14 2oo5 h VAL 87 Ca -0.23 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.43 2oo5 h VAL 87 Cb 2.12 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 32.36 2oo5 h VAL 87 CO 0.25 0.00 -0.13 0.00 -1.01 0.00 0.00 177.57 176.68 2oo5 h ALA 88 N 1.97 1.59 0.00 3.17 0.00 -1.89 -2.69 119.26 121.40 2oo5 h ALA 88 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2oo5 h ALA 88 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2oo5 h ALA 88 CO -0.00 0.17 -0.06 -0.07 0.00 0.00 0.00 179.25 179.29 2oo5 h LEU 89 N 0.00 0.00 -9.76 0.00 4.07 -1.41 -3.46 115.31 104.75 2oo5 h LEU 89 Ca -0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 2oo5 h LEU 89 Cb 0.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 2oo5 h LEU 89 CO 0.02 0.06 0.35 -0.63 -1.08 0.00 0.00 178.44 177.16 2oo5 s ILE 90 N -3.51 4.08 0.59 1.22 1.01 -1.02 -3.97 121.20 119.60 2oo5 s ILE 90 Ca 0.03 2.06 -0.19 0.00 0.00 0.00 0.00 60.65 62.55 2oo5 s ILE 90 Cb 0.08 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2oo5 s ILE 90 CO 0.60 0.46 1.22 -0.75 0.00 0.00 0.00 174.94 176.47 2oo5 s LYS 91 N -1.27 3.00 0.20 2.79 2.20 -1.23 -4.98 119.74 120.45 2oo5 s LYS 91 Ca 0.42 1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 57.59 2oo5 s LYS 91 Cb -0.25 -1.96 -0.09 0.00 -1.51 0.00 0.00 37.83 34.02 2oo5 s LYS 91 CO 0.31 -1.19 1.26 -1.21 -0.36 0.00 0.00 175.35 174.16 2oo5 s GLU 92 N -3.28 4.43 -0.82 4.03 8.01 -1.26 -2.91 118.70 126.90 2oo5 s GLU 92 Ca 0.77 1.98 0.00 0.00 0.01 0.00 0.00 54.97 57.73 2oo5 s GLU 92 Cb -0.31 -3.21 0.00 0.00 -4.31 0.00 0.00 34.13 26.30 2oo5 s GLU 92 CO 0.34 -0.18 0.00 0.41 0.01 0.00 0.00 175.26 175.84 2oo5 n GLY 93 N 2.22 0.98 3.94 -1.39 0.00 -1.14 -5.00 105.19 104.79 2oo5 n GLY 93 Ca 0.05 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 2oo5 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 s ALA 94 N -2.28 3.41 -0.18 4.61 0.00 -1.14 -4.81 121.76 121.36 2oo5 s ALA 94 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 2oo5 s ALA 94 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 2oo5 s ALA 94 CO 0.00 -1.08 0.01 0.08 0.00 0.00 0.00 175.76 174.77 2oo5 s VAL 95 N -3.06 4.22 -0.09 0.00 1.01 0.15 -0.95 120.40 121.68 2oo5 s VAL 95 Ca 0.59 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2oo5 s VAL 95 Cb -0.11 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2oo5 s VAL 95 CO 0.43 0.46 -0.10 -0.22 0.00 0.00 0.00 175.10 175.66 2oo5 s LEU 96 N 0.57 2.92 -0.16 3.92 2.96 0.11 0.98 118.68 129.98 2oo5 s LEU 96 Ca -0.00 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2oo5 s LEU 96 Cb -0.14 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.97 2oo5 s LEU 96 CO 0.02 0.28 0.05 -0.04 -1.32 0.00 0.00 176.35 175.34 2oo5 s MET 97 N -0.32 0.43 0.12 1.98 -1.94 -0.20 -0.74 119.30 118.63 2oo5 s MET 97 Ca 0.04 -0.18 -0.25 0.00 -1.71 0.00 0.00 55.69 53.58 2oo5 s MET 97 Cb -0.13 -1.73 0.08 0.00 2.01 0.00 0.00 34.83 35.07 2oo5 s MET 97 CO 0.02 -0.57 1.09 0.00 -0.01 0.00 0.00 175.02 175.55 2oo5 s HIS 99 N -2.53 2.26 -0.12 0.00 5.65 -0.75 -1.26 115.29 118.54 2oo5 s HIS 99 Ca 0.18 0.66 0.18 0.00 0.25 0.00 0.00 55.06 56.33 2oo5 s HIS 99 Cb -0.01 -4.25 -0.18 0.00 -1.18 0.00 0.00 32.58 26.97 2oo5 s HIS 99 CO 0.02 -2.23 0.67 1.28 -0.65 0.00 0.00 174.74 173.83 2oo5 n LEU 100 N 9.11 0.63 -3.60 8.88 4.77 -1.26 -1.78 117.00 133.75 2oo5 n LEU 100 Ca 0.18 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 2oo5 n LEU 100 Cb 0.48 0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 2oo5 n LEU 100 CO 0.70 0.18 0.12 0.61 -1.33 0.00 0.00 177.39 177.66 2oo5 n GLY 101 N 1.43 -0.42 0.28 -0.72 0.00 -1.26 -4.74 105.19 99.76 2oo5 n GLY 101 Ca -0.13 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 2oo5 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 h ALA 102 N 0.94 1.29 -0.06 4.61 0.00 -1.95 0.12 119.26 124.22 2oo5 h ALA 102 Ca -0.59 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 2oo5 h ALA 102 Cb 1.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2oo5 h ALA 102 CO 0.55 0.48 -0.46 -0.07 0.00 0.00 0.00 179.25 179.75 2oo5 h LEU 103 N 0.58 0.15 0.00 0.00 3.38 -1.96 -3.11 115.31 114.34 2oo5 h LEU 103 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2oo5 h LEU 103 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2oo5 h LEU 103 CO 0.01 0.60 -1.49 0.35 0.09 0.00 0.00 178.44 178.00 2oo5 n THR 104 N -3.98 0.00 -3.74 0.22 -2.24 -1.06 -4.75 114.28 98.73 2oo5 n THR 104 Ca -0.02 -0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 2oo5 n THR 104 Cb 0.50 0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 69.11 2oo5 n THR 104 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2oo5 s ASN 105 N -3.77 3.69 0.22 3.42 0.01 0.39 -4.94 114.94 113.96 2oo5 s ASN 105 Ca 0.00 -3.42 0.03 0.00 -0.71 0.00 0.00 52.86 48.76 2oo5 s ASN 105 Cb 0.15 -1.22 0.18 0.00 0.41 0.00 0.00 41.25 40.77 2oo5 s ASN 105 CO 0.89 -0.14 1.51 -0.09 -1.51 0.00 0.00 177.10 177.76 2oo5 h ARG 106 N 5.71 0.26 -0.91 -0.60 2.43 -1.84 -3.34 114.38 116.09 2oo5 h ARG 106 Ca 0.15 -0.20 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2oo5 h ARG 106 Cb 0.83 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.34 2oo5 h ARG 106 CO 0.59 0.83 0.59 -1.35 -1.51 0.00 0.00 179.97 179.11 2oo5 h PRO 107 N 0.18 0.85 -0.23 0.20 0.11 -1.92 -0.97 132.00 130.23 2oo5 h PRO 107 Ca -0.01 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2oo5 h PRO 107 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2oo5 h PRO 107 CO 0.10 0.56 -0.20 -0.24 -0.21 0.00 0.00 178.00 178.02 2oo5 h VAL 108 N 0.87 1.24 -0.15 3.15 3.04 -1.95 0.06 116.25 122.52 2oo5 h VAL 108 Ca 0.43 -1.11 -0.03 0.00 -1.01 0.00 0.00 66.70 64.98 2oo5 h VAL 108 Cb 0.47 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2oo5 h VAL 108 CO -0.20 0.35 -0.02 0.58 -1.01 0.00 0.00 177.57 177.27 2oo5 h VAL 109 N 0.37 1.28 -0.97 1.51 2.07 -1.54 -0.31 116.25 118.66 2oo5 h VAL 109 Ca 0.06 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.71 2oo5 h VAL 109 Cb 0.56 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2oo5 h VAL 109 CO 0.04 0.28 0.62 -0.33 0.02 0.00 0.00 177.57 178.19 2oo5 h GLU 110 N -0.01 1.10 -0.27 1.57 5.08 -1.01 0.39 114.58 121.42 2oo5 h GLU 110 Ca 0.04 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2oo5 h GLU 110 Cb 0.43 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2oo5 h GLU 110 CO 0.01 0.73 -0.05 0.00 -1.00 0.00 0.00 179.01 178.69 2oo5 h ALA 111 N 1.44 0.37 -0.57 3.43 0.00 -0.88 -2.53 119.26 120.52 2oo5 h ALA 111 Ca 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2oo5 h ALA 111 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2oo5 h ALA 111 CO -0.17 0.17 0.22 -0.07 0.00 0.00 0.00 179.25 179.39 2oo5 h LEU 112 N 0.27 0.76 -1.09 0.00 3.38 -0.80 -2.61 115.31 115.22 2oo5 h LEU 112 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2oo5 h LEU 112 Cb 0.52 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2oo5 h LEU 112 CO 0.02 0.69 0.44 0.74 0.09 0.00 0.00 178.44 180.42 2oo5 h THR 113 N 0.82 1.22 0.00 0.22 2.02 -0.84 -1.93 112.91 114.43 2oo5 h THR 113 Ca 0.19 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2oo5 h THR 113 Cb 0.17 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2oo5 h THR 113 CO -0.02 0.25 -0.01 0.11 0.37 0.00 0.00 175.52 176.22 2oo5 h LYS 114 N 1.08 0.00 -0.62 6.66 1.57 -1.04 -1.60 116.57 122.61 2oo5 h LYS 114 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2oo5 h LYS 114 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2oo5 h LYS 114 CO -0.05 0.01 0.00 0.54 -0.57 0.00 0.00 179.45 179.38 2oo5 n ARG 115 N -3.10 3.37 -2.73 3.15 1.74 -1.17 -4.97 116.66 112.95 2oo5 n ARG 115 Ca -0.01 -2.75 -0.19 0.00 -0.77 0.00 0.00 57.85 54.13 2oo5 n ARG 115 Cb 0.23 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 2oo5 n ARG 115 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2oo5 n LYS 116 N 1.11 -2.94 -2.92 5.56 5.02 -0.60 -3.36 118.16 120.04 2oo5 n LYS 116 Ca 0.24 0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 56.88 2oo5 n LYS 116 Cb 0.78 -5.46 -0.04 0.00 -0.02 0.00 0.00 35.03 30.29 2oo5 n LYS 116 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2oo5 s ILE 117 N -2.92 4.95 -0.41 -0.18 1.01 -0.73 -2.90 121.20 120.02 2oo5 s ILE 117 Ca 0.14 1.64 -0.28 0.00 0.00 0.00 0.00 60.65 62.15 2oo5 s ILE 117 Cb -0.07 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2oo5 s ILE 117 CO 0.17 0.14 1.07 -0.89 0.00 0.00 0.00 174.94 175.43 2oo5 s THR 118 N 1.38 4.38 -0.14 2.92 2.01 -0.13 -4.43 115.64 121.63 2oo5 s THR 118 Ca 0.41 1.34 -0.00 0.00 0.31 0.00 0.00 61.69 63.74 2oo5 s THR 118 Cb -0.18 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 67.83 2oo5 s THR 118 CO 0.18 -0.75 -0.13 0.00 -0.69 0.00 0.00 174.62 173.22 2oo5 s ALA 119 N 3.98 2.59 -0.34 7.40 0.00 -0.59 0.04 121.76 134.84 2oo5 s ALA 119 Ca 0.45 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 2oo5 s ALA 119 Cb -0.10 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.81 2oo5 s ALA 119 CO 0.24 0.11 0.11 0.71 0.00 0.00 0.00 175.76 176.93 2oo5 s TYR 120 N 0.58 3.25 -0.66 0.00 1.51 0.08 -1.64 117.35 120.47 2oo5 s TYR 120 Ca -0.08 -1.35 -0.27 0.00 -1.01 0.00 0.00 57.07 54.35 2oo5 s TYR 120 Cb -0.16 -2.29 0.02 0.00 -0.11 0.00 0.00 41.96 39.43 2oo5 s TYR 120 CO 0.03 -0.71 1.30 0.00 -1.11 0.00 0.00 175.55 175.06 2oo5 s ALA 121 N 1.42 2.81 0.28 3.71 0.00 -0.23 -3.19 121.76 126.56 2oo5 s ALA 121 Ca -0.01 -1.05 0.34 0.00 0.00 0.00 0.00 51.96 51.23 2oo5 s ALA 121 Cb -0.19 -4.17 1.55 0.00 0.00 0.00 0.00 23.12 20.31 2oo5 s ALA 121 CO 0.03 -3.07 2.06 0.52 0.00 0.00 0.00 175.76 175.31 2oo5 h MET 122 N 10.28 0.00 0.00 0.00 0.00 -1.44 -2.34 114.93 121.43 2oo5 h MET 122 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.43 2oo5 h MET 122 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.66 2oo5 h MET 122 CO 1.23 0.05 0.00 -0.85 0.00 0.00 0.00 176.91 177.34 2oo5 n GLU 123 N -3.23 0.20 -0.58 1.72 0.00 -1.26 -2.64 120.64 114.85 2oo5 n GLU 123 Ca -0.01 0.45 -0.00 0.00 0.00 0.00 0.00 57.16 57.60 2oo5 n GLU 123 Cb 0.26 -1.90 0.21 0.00 0.00 0.00 0.00 31.44 30.01 2oo5 n GLU 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2oo5 n LEU 124 N -2.28 4.14 -4.72 -1.84 4.77 -0.88 -4.95 117.00 111.24 2oo5 n LEU 124 Ca 0.02 -2.12 -0.42 0.00 -0.03 0.00 0.00 56.01 53.46 2oo5 n LEU 124 Cb 0.22 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2oo5 n LEU 124 CO 0.19 0.55 1.09 -0.32 -1.33 0.00 0.00 177.39 177.57 2oo5 s MET 125 N -2.02 4.31 0.30 3.23 1.75 -1.08 -4.08 119.30 121.70 2oo5 s MET 125 Ca 0.33 2.13 -0.29 0.00 -1.25 0.00 0.00 55.69 56.60 2oo5 s MET 125 Cb 0.26 -3.22 -0.11 0.00 2.84 0.00 0.00 34.83 34.60 2oo5 s MET 125 CO 0.09 -0.45 1.48 -1.25 -0.65 0.00 0.00 175.02 174.24 2oo5 s PRO 126 N 0.94 4.20 -1.30 4.11 0.04 -1.26 -4.90 135.00 136.83 2oo5 s PRO 126 Ca 0.65 2.43 -0.10 0.00 0.04 0.00 0.00 61.00 64.01 2oo5 s PRO 126 Cb -0.38 -3.05 0.15 0.00 0.04 0.00 0.00 34.50 31.26 2oo5 s PRO 126 CO 0.32 -0.48 1.90 0.54 0.04 0.00 0.00 177.00 179.31 2oo5 n ARG 127 N 1.76 3.51 -4.35 4.56 5.12 -1.26 -4.73 116.66 121.27 2oo5 n ARG 127 Ca 0.05 -3.43 -0.20 0.00 -1.93 0.00 0.00 57.85 52.34 2oo5 n ARG 127 Cb 0.39 -2.98 -0.11 0.00 -1.16 0.00 0.00 32.46 28.61 2oo5 n ARG 127 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2oo5 s ILE 128 N 0.82 1.83 0.23 0.55 -4.36 -1.26 -4.96 121.20 114.05 2oo5 s ILE 128 Ca 0.41 -2.10 -0.07 0.00 -0.26 0.00 0.00 60.65 58.63 2oo5 s ILE 128 Cb 0.09 -1.97 0.20 0.00 1.25 0.00 0.00 42.46 42.04 2oo5 s ILE 128 CO -0.01 -0.46 1.69 0.28 0.24 0.00 0.00 174.94 176.69 2oo5 h SER 129 N 2.84 -0.01 0.89 4.36 0.02 -2.02 -2.06 113.55 117.56 2oo5 h SER 129 Ca -0.40 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2oo5 h SER 129 Cb 1.22 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 2oo5 h SER 129 CO 0.57 -0.02 -0.40 -0.09 -1.14 0.00 0.00 176.83 175.74 2oo5 h ARG 130 N 0.26 0.00 -0.01 3.45 2.43 -1.97 -2.91 114.38 115.63 2oo5 h ARG 130 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2oo5 h ARG 130 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2oo5 h ARG 130 CO -0.47 0.40 -0.01 0.00 -1.51 0.00 0.00 179.97 178.38 2oo5 n ALA 131 N -2.30 2.65 0.19 2.80 0.00 -0.78 -4.21 120.51 118.87 2oo5 n ALA 131 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.18 2oo5 n ALA 131 Cb 0.54 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 19.01 2oo5 n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2oo5 h GLN 132 N 0.95 0.00 -0.06 0.00 1.08 -1.46 -1.31 115.11 114.31 2oo5 h GLN 132 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2oo5 h GLN 132 Cb 0.23 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2oo5 h GLN 132 CO 0.00 0.36 0.06 0.66 -0.95 0.00 0.00 178.83 178.96 2oo5 h SER 133 N 0.00 0.00 0.00 1.46 4.64 -1.81 -3.12 113.55 114.72 2oo5 h SER 133 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2oo5 h SER 133 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2oo5 h SER 133 CO 0.05 0.00 -0.35 1.15 -0.87 0.00 0.00 176.83 176.81 2oo5 n MET 134 N -3.99 1.39 -3.52 4.77 -0.00 -0.54 -4.03 117.12 111.19 2oo5 n MET 134 Ca -0.02 -2.96 -0.42 0.00 -0.00 0.00 0.00 57.70 54.31 2oo5 n MET 134 Cb 0.16 -1.49 -0.09 0.00 -0.00 0.00 0.00 33.22 31.79 2oo5 n MET 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2oo5 s ASP 135 N -3.02 5.83 0.21 3.17 -1.08 -0.91 -4.82 116.67 116.04 2oo5 s ASP 135 Ca 0.35 -1.44 0.07 0.00 -0.52 0.00 0.00 52.55 51.01 2oo5 s ASP 135 Cb 0.33 -2.06 0.13 0.00 -1.46 0.00 0.00 42.92 39.87 2oo5 s ASP 135 CO -0.04 -0.58 1.48 0.16 0.52 0.00 0.00 175.17 176.71 2oo5 h ILE 136 N 5.96 1.51 -0.36 4.11 3.07 -1.91 -3.13 117.51 126.75 2oo5 h ILE 136 Ca -0.25 -2.50 0.00 0.00 1.55 0.00 0.00 64.86 63.67 2oo5 h ILE 136 Cb 1.09 2.35 -0.02 0.00 -0.27 0.00 0.00 36.82 39.98 2oo5 h ILE 136 CO 0.80 0.72 0.23 -0.07 -1.05 0.00 0.00 178.15 178.78 2oo5 h LEU 137 N 0.05 0.42 -0.04 0.16 4.07 -1.92 -2.75 115.31 115.30 2oo5 h LEU 137 Ca -0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 2oo5 h LEU 137 Cb 1.34 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 2oo5 h LEU 137 CO 0.11 0.32 0.01 0.28 -1.08 0.00 0.00 178.44 178.07 2oo5 h SER 138 N 0.48 0.06 -0.32 -0.43 0.02 -1.96 -0.35 113.55 111.04 2oo5 h SER 138 Ca 0.13 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2oo5 h SER 138 Cb -0.04 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2oo5 h SER 138 CO -0.03 0.31 -0.01 0.77 -1.14 0.00 0.00 176.83 176.73 2oo5 h SER 139 N -0.19 0.65 0.20 3.07 4.64 -1.62 -2.33 113.55 117.98 2oo5 h SER 139 Ca 0.01 -0.15 -0.35 0.00 -0.47 0.00 0.00 61.79 60.83 2oo5 h SER 139 Cb 0.28 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2oo5 h SER 139 CO 0.00 0.73 -1.70 1.56 -0.87 0.00 0.00 176.83 176.55 2oo5 h GLN 140 N 0.64 0.43 -0.79 4.77 1.08 -1.48 -3.25 115.11 116.51 2oo5 h GLN 140 Ca 0.13 -0.73 -0.00 0.00 -1.45 0.00 0.00 58.65 56.60 2oo5 h GLN 140 Cb 0.42 0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 28.08 2oo5 h GLN 140 CO 0.02 1.35 0.48 0.77 -0.95 0.00 0.00 178.83 180.50 2oo5 h SER 141 N 0.11 0.94 -0.32 1.46 0.02 -1.11 -0.59 113.55 114.06 2oo5 h SER 141 Ca -0.33 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2oo5 h SER 141 Cb 2.11 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 64.36 2oo5 h SER 141 CO 0.20 0.73 -0.00 -1.13 -1.14 0.00 0.00 176.83 175.48 2oo5 h ASN 142 N 1.08 -0.13 -0.29 3.07 -0.73 -1.53 0.42 115.58 117.47 2oo5 h ASN 142 Ca 0.28 0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.43 2oo5 h ASN 142 Cb -0.05 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 2oo5 h ASN 142 CO -0.05 -0.03 -0.17 -0.07 -0.37 0.00 0.00 177.43 176.74 2oo5 h LEU 143 N 0.09 0.75 -0.96 0.34 3.38 -1.56 -1.97 115.31 115.38 2oo5 h LEU 143 Ca 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2oo5 h LEU 143 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2oo5 h LEU 143 CO -0.26 0.92 0.17 0.00 0.09 0.00 0.00 178.44 179.35 2oo5 h ALA 144 N 1.15 1.16 -0.44 1.53 0.00 -0.27 0.11 119.26 122.50 2oo5 h ALA 144 Ca 0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2oo5 h ALA 144 Cb 0.66 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2oo5 h ALA 144 CO 0.05 0.58 -0.01 0.78 0.00 0.00 0.00 179.25 180.65 2oo5 h GLY 145 N 1.01 0.85 0.88 0.00 0.00 -0.08 -2.11 103.07 103.62 2oo5 h GLY 145 Ca 0.20 -0.63 0.02 0.00 0.00 0.00 0.00 47.33 46.92 2oo5 h GLY 145 CO -0.00 0.58 0.31 -1.82 0.00 0.00 0.00 176.54 175.61 2oo5 h TYR 146 N 0.63 0.59 -0.94 5.60 3.20 -1.12 -3.17 116.97 121.76 2oo5 h TYR 146 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2oo5 h TYR 146 Cb 0.51 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2oo5 h TYR 146 CO 0.04 0.34 0.60 0.00 -1.64 0.00 0.00 178.16 177.50 2oo5 h ARG 147 N 0.63 1.25 -0.92 1.82 2.47 -0.64 -2.84 114.38 116.15 2oo5 h ARG 147 Ca 0.21 -0.09 0.13 0.00 -1.26 0.00 0.00 59.98 58.97 2oo5 h ARG 147 Cb 0.02 -0.27 -0.09 0.00 -1.65 0.00 0.00 29.97 27.98 2oo5 h ARG 147 CO -0.09 0.85 0.54 0.00 0.56 0.00 0.00 179.97 181.82 2oo5 h ALA 148 N 1.33 1.38 -0.31 0.04 0.00 -1.35 0.20 119.26 120.54 2oo5 h ALA 148 Ca 0.34 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 2oo5 h ALA 148 Cb -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2oo5 h ALA 148 CO -0.07 0.09 -0.36 0.28 0.00 0.00 0.00 179.25 179.19 2oo5 h VAL 149 N 0.83 1.29 -0.33 0.00 2.07 -1.58 0.28 116.25 118.81 2oo5 h VAL 149 Ca 0.47 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2oo5 h VAL 149 Cb 0.53 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2oo5 h VAL 149 CO -0.29 0.50 0.15 0.40 0.02 0.00 0.00 177.57 178.34 2oo5 h ILE 150 N 0.56 1.17 -0.51 4.57 1.08 -1.26 0.52 117.51 123.64 2oo5 h ILE 150 Ca 0.04 -0.51 -0.09 0.00 -0.39 0.00 0.00 64.86 63.91 2oo5 h ILE 150 Cb 0.94 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 2oo5 h ILE 150 CO 0.09 0.18 -0.04 0.44 -0.69 0.00 0.00 178.15 178.13 2oo5 h ASP 151 N 0.40 0.87 -0.10 1.72 3.32 -0.55 -0.25 116.42 121.83 2oo5 h ASP 151 Ca 0.11 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2oo5 h ASP 151 Cb 0.15 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2oo5 h ASP 151 CO -0.01 0.95 0.04 1.23 -1.72 0.00 0.00 179.24 179.73 2oo5 h GLY 152 N 0.98 0.16 1.66 2.75 0.00 -0.29 -1.03 103.07 107.30 2oo5 h GLY 152 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2oo5 h GLY 152 CO 0.03 0.08 0.17 0.00 0.00 0.00 0.00 176.54 176.81 2oo5 h ALA 153 N 0.90 1.68 -0.22 3.60 0.00 -0.79 0.20 119.26 124.63 2oo5 h ALA 153 Ca 0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2oo5 h ALA 153 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2oo5 h ALA 153 CO -0.00 0.27 -0.34 -0.92 0.00 0.00 0.00 179.25 178.26 2oo5 h TYR 154 N 0.46 0.77 0.00 0.00 3.20 -0.86 -3.25 116.97 117.28 2oo5 h TYR 154 Ca 0.12 -0.26 -0.08 0.00 3.14 0.00 0.00 58.73 61.65 2oo5 h TYR 154 Cb 0.04 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2oo5 h TYR 154 CO 0.00 1.00 -0.37 0.93 -1.64 0.00 0.00 178.16 178.08 2oo5 h GLU 155 N 0.31 0.00 -6.43 1.82 4.39 -0.96 -3.46 114.58 110.26 2oo5 h GLU 155 Ca 0.02 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.18 2oo5 h GLU 155 Cb 0.93 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2oo5 h GLU 155 CO 0.08 0.37 0.14 0.12 -1.16 0.00 0.00 179.01 178.56 2oo5 s PHE 156 N -3.16 3.86 -2.30 4.33 5.36 0.04 -4.98 117.98 121.12 2oo5 s PHE 156 Ca 0.04 1.54 0.21 0.00 -0.96 0.00 0.00 56.93 57.75 2oo5 s PHE 156 Cb 0.08 -2.74 0.68 0.00 -0.34 0.00 0.00 43.02 40.70 2oo5 s PHE 156 CO 0.71 0.47 1.51 0.00 -1.46 0.00 0.00 175.22 176.46 2oo5 n ALA 157 N 1.88 2.50 -2.54 11.12 0.00 -1.26 -4.84 120.51 127.37 2oo5 n ALA 157 Ca -0.06 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.54 2oo5 n ALA 157 Cb 0.49 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 2oo5 n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2oo5 s ARG 158 N -1.74 1.99 0.34 0.00 0.52 -1.26 -5.14 118.95 113.66 2oo5 s ARG 158 Ca 0.33 -1.81 -0.25 0.00 -0.52 0.00 0.00 55.73 53.48 2oo5 s ARG 158 Cb 0.18 -1.86 -0.10 0.00 0.52 0.00 0.00 34.95 33.69 2oo5 s ARG 158 CO 0.27 0.14 0.94 0.00 0.02 0.00 0.00 175.30 176.66 2oo5 s ALA 159 N -2.55 3.18 0.08 2.13 0.00 -1.26 -5.00 121.76 118.34 2oo5 s ALA 159 Ca 0.34 0.48 -0.35 0.00 0.00 0.00 0.00 51.96 52.43 2oo5 s ALA 159 Cb 0.01 -3.16 -0.18 0.00 0.00 0.00 0.00 23.12 19.79 2oo5 s ALA 159 CO 0.18 0.17 1.59 0.74 0.00 0.00 0.00 175.76 178.45 2oo5 h PHE 160 N 2.91 -1.14 -4.22 0.00 -1.00 -1.93 -3.29 116.94 108.27 2oo5 h PHE 160 Ca -0.47 -0.01 -0.49 0.00 2.81 0.00 0.00 57.97 59.81 2oo5 h PHE 160 Cb 1.19 0.41 0.05 0.00 3.61 0.00 0.00 35.95 41.21 2oo5 h PHE 160 CO 0.62 -0.64 0.38 -1.25 -1.61 0.00 0.00 178.31 175.80 2oo5 s PRO 161 N -5.98 3.49 0.37 1.51 0.04 -1.06 -0.65 135.00 132.73 2oo5 s PRO 161 Ca -0.18 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 2oo5 s PRO 161 Cb 0.04 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2oo5 s PRO 161 CO 0.61 -0.66 1.41 1.41 0.04 0.00 0.00 177.00 179.82 2oo5 s MET 162 N -4.22 4.14 -0.08 4.56 -2.45 -1.26 -4.53 119.30 115.47 2oo5 s MET 162 Ca 0.61 2.42 0.01 0.00 -1.25 0.00 0.00 55.69 57.48 2oo5 s MET 162 Cb -0.14 -2.96 0.02 0.00 1.25 0.00 0.00 34.83 33.00 2oo5 s MET 162 CO 0.38 -0.44 -0.08 -1.64 1.05 0.00 0.00 175.02 174.28 2oo5 s MET 163 N -2.04 1.37 -0.49 4.11 -1.94 -1.11 -4.97 119.30 114.24 2oo5 s MET 163 Ca 0.52 -0.26 -0.10 0.00 -1.71 0.00 0.00 55.69 54.15 2oo5 s MET 163 Cb -0.44 -1.30 0.12 0.00 2.01 0.00 0.00 34.83 35.22 2oo5 s MET 163 CO 0.58 -0.11 0.37 1.41 -0.01 0.00 0.00 175.02 177.26 2oo5 s MET 164 N 1.14 2.55 0.45 2.03 1.75 -1.26 -2.13 119.30 123.83 2oo5 s MET 164 Ca -0.06 -1.79 0.06 0.00 -1.25 0.00 0.00 55.69 52.65 2oo5 s MET 164 Cb -0.14 -3.97 -0.03 0.00 2.84 0.00 0.00 34.83 33.53 2oo5 s MET 164 CO -0.01 -1.21 0.22 0.95 -0.65 0.00 0.00 175.02 174.32 2oo5 s THR 165 N 1.34 2.10 0.32 10.11 -4.23 -0.36 -5.01 115.64 119.91 2oo5 s THR 165 Ca 0.06 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 2oo5 s THR 165 Cb -0.26 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 70.92 2oo5 s THR 165 CO -0.01 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.86 2oo5 h ALA 166 N 1.25 1.25 0.00 3.99 0.00 -2.05 -2.64 119.26 121.07 2oo5 h ALA 166 Ca -0.42 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 2oo5 h ALA 166 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2oo5 h ALA 166 CO 0.67 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 180.15 2oo5 h ALA 167 N 1.45 0.97 0.00 0.00 0.00 -2.01 -3.49 119.26 116.18 2oo5 h ALA 167 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2oo5 h ALA 167 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2oo5 h ALA 167 CO 0.04 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2oo5 n GLY 168 N 0.34 0.08 3.43 0.00 0.00 -1.00 -5.12 105.19 102.92 2oo5 n GLY 168 Ca 0.00 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 2oo5 n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oo5 s THR 169 N -2.58 2.91 -0.05 2.61 2.01 -1.26 -1.23 115.64 118.05 2oo5 s THR 169 Ca 0.00 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.28 2oo5 s THR 169 Cb 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2oo5 s THR 169 CO 0.00 0.58 -0.22 0.68 -0.69 0.00 0.00 174.62 174.97 2oo5 s VAL 170 N -0.52 2.40 0.90 3.82 -7.23 -0.91 -5.03 120.40 113.84 2oo5 s VAL 170 Ca 0.07 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 2oo5 s VAL 170 Cb -0.12 -1.89 0.13 0.00 0.56 0.00 0.00 36.38 35.06 2oo5 s VAL 170 CO 0.01 0.57 1.10 -2.16 -0.31 0.00 0.00 175.10 174.32 2oo5 s PRO 171 N -0.36 1.21 0.68 4.82 0.04 -1.26 -2.74 135.00 137.39 2oo5 s PRO 171 Ca 0.03 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 2oo5 s PRO 171 Cb -0.12 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2oo5 s PRO 171 CO 0.02 -2.21 1.05 -1.25 0.04 0.00 0.00 177.00 174.65 2oo5 s PRO 172 N -5.06 3.11 0.37 0.56 0.04 -1.26 -4.48 135.00 128.27 2oo5 s PRO 172 Ca 0.63 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 2oo5 s PRO 172 Cb -0.17 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2oo5 s PRO 172 CO 0.56 -0.95 1.29 0.00 0.04 0.00 0.00 177.00 177.93 2oo5 s ALA 173 N -3.10 3.37 -0.26 8.56 0.00 0.18 -4.85 121.76 125.65 2oo5 s ALA 173 Ca 0.57 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.66 2oo5 s ALA 173 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2oo5 s ALA 173 CO 0.55 -0.69 0.09 1.03 0.00 0.00 0.00 175.76 176.74 2oo5 s ARG 174 N -2.01 3.66 -0.06 0.00 0.52 -1.26 -1.55 118.95 118.25 2oo5 s ARG 174 Ca 0.53 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.27 2oo5 s ARG 174 Cb -0.38 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 2oo5 s ARG 174 CO 0.50 -0.21 -0.08 0.08 0.02 0.00 0.00 175.30 175.61 2oo5 s VAL 175 N 1.63 3.64 -0.11 3.52 1.01 0.30 -0.48 120.40 129.91 2oo5 s VAL 175 Ca 0.06 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2oo5 s VAL 175 Cb -0.15 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2oo5 s VAL 175 CO 0.05 0.59 -0.15 -0.22 0.00 0.00 0.00 175.10 175.36 2oo5 s LEU 176 N -0.84 1.72 -0.31 3.92 0.20 -0.61 -0.39 118.68 122.37 2oo5 s LEU 176 Ca 0.13 -0.43 -0.08 0.00 0.69 0.00 0.00 54.13 54.44 2oo5 s LEU 176 Cb -0.11 -1.09 0.01 0.00 -0.43 0.00 0.00 46.19 44.57 2oo5 s LEU 176 CO 0.02 0.01 0.11 -0.69 -0.29 0.00 0.00 176.35 175.51 2oo5 s VAL 177 N 1.00 4.09 -0.27 1.68 1.01 -0.43 -1.35 120.40 126.12 2oo5 s VAL 177 Ca -0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 2oo5 s VAL 177 Cb -0.15 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2oo5 s VAL 177 CO -0.02 -0.01 0.56 -0.36 0.00 0.00 0.00 175.10 175.28 2oo5 s PHE 178 N 1.50 3.26 0.00 5.22 0.40 -0.39 -1.59 117.98 126.39 2oo5 s PHE 178 Ca 0.02 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.01 2oo5 s PHE 178 Cb -0.18 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.55 2oo5 s PHE 178 CO 0.03 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.03 2oo5 n GLY 179 N 4.35 -1.83 2.85 4.36 0.00 -0.12 -0.97 105.19 113.83 2oo5 n GLY 179 Ca -0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 2oo5 n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oo5 n VAL 180 N 0.98 3.05 -0.22 1.61 0.31 -1.26 -4.11 118.33 118.69 2oo5 n VAL 180 Ca 0.00 -5.54 0.00 0.00 -0.01 0.00 0.00 64.34 58.79 2oo5 n VAL 180 Cb 0.00 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2oo5 n VAL 180 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oo5 n GLY 181 N -0.06 1.26 0.10 2.92 0.00 -1.26 -4.68 105.19 103.48 2oo5 n GLY 181 Ca 0.31 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2oo5 n GLY 181 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2oo5 h VAL 182 N 0.00 1.26 0.06 1.61 2.07 -1.94 -2.01 116.25 117.30 2oo5 h VAL 182 Ca 0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2oo5 h VAL 182 Cb 0.00 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2oo5 h VAL 182 CO 0.00 0.24 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 2oo5 h ALA 183 N 0.74 -0.08 -0.84 1.67 0.00 -1.90 -2.77 119.26 116.08 2oo5 h ALA 183 Ca 0.03 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.94 2oo5 h ALA 183 Cb 0.38 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2oo5 h ALA 183 CO 0.01 -0.41 0.45 0.78 0.00 0.00 0.00 179.25 180.07 2oo5 h GLY 184 N -0.34 1.36 1.00 0.00 0.00 -1.71 -1.15 103.07 102.23 2oo5 h GLY 184 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2oo5 h GLY 184 CO 0.01 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.96 2oo5 h LEU 185 N 0.67 0.83 -1.13 3.11 3.38 -1.31 -1.86 115.31 118.99 2oo5 h LEU 185 Ca 0.45 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2oo5 h LEU 185 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2oo5 h LEU 185 CO -0.33 0.94 -0.43 -0.61 0.09 0.00 0.00 178.44 178.09 2oo5 h GLN 186 N 0.69 0.00 -0.55 1.13 5.75 -1.19 -1.72 115.11 119.23 2oo5 h GLN 186 Ca 0.13 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2oo5 h GLN 186 Cb 0.52 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 2oo5 h GLN 186 CO 0.03 0.43 0.13 0.00 -2.65 0.00 0.00 178.83 176.76 2oo5 h ALA 187 N 1.57 0.72 -0.04 3.38 0.00 -1.01 -0.48 119.26 123.40 2oo5 h ALA 187 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2oo5 h ALA 187 Cb 0.77 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2oo5 h ALA 187 CO 0.06 0.43 0.02 0.82 0.00 0.00 0.00 179.25 180.58 2oo5 h ILE 188 N 0.78 1.07 -0.27 0.00 2.04 -1.06 0.24 117.51 120.31 2oo5 h ILE 188 Ca 0.17 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2oo5 h ILE 188 Cb 0.35 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2oo5 h ILE 188 CO 0.00 0.06 0.09 0.00 0.00 0.00 0.00 178.15 178.31 2oo5 h ALA 189 N 0.94 0.30 -0.30 1.87 0.00 -1.24 0.27 119.26 121.11 2oo5 h ALA 189 Ca 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2oo5 h ALA 189 Cb 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2oo5 h ALA 189 CO -0.00 -0.31 -0.39 1.15 0.00 0.00 0.00 179.25 179.69 2oo5 h THR 190 N 0.22 1.29 -0.27 0.00 2.02 -1.02 -1.03 112.91 114.11 2oo5 h THR 190 Ca 0.12 -1.56 -0.12 0.00 0.77 0.00 0.00 66.41 65.61 2oo5 h THR 190 Cb 0.08 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2oo5 h THR 190 CO -0.12 0.51 -0.32 0.00 0.37 0.00 0.00 175.52 175.96 2oo5 h ALA 191 N 0.97 0.41 -0.26 6.16 0.00 -0.75 -2.78 119.26 123.00 2oo5 h ALA 191 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2oo5 h ALA 191 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2oo5 h ALA 191 CO 0.08 0.44 0.10 -0.22 0.00 0.00 0.00 179.25 179.66 2oo5 h LYS 192 N 0.43 0.39 0.00 0.00 1.63 -0.42 -2.37 116.57 116.23 2oo5 h LYS 192 Ca 0.04 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2oo5 h LYS 192 Cb 0.89 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2oo5 h LYS 192 CO 0.08 0.43 -0.13 0.07 -3.45 0.00 0.00 179.45 176.45 2oo5 h ARG 193 N 0.27 0.00 0.00 1.90 0.11 -1.25 -1.07 114.38 114.34 2oo5 h ARG 193 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2oo5 h ARG 193 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2oo5 h ARG 193 CO -0.01 0.13 0.00 1.28 0.10 0.00 0.00 179.97 181.47 2oo5 n LEU 194 N -3.42 0.06 0.00 0.08 4.77 -1.05 -4.94 117.00 112.50 2oo5 n LEU 194 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2oo5 n LEU 194 Cb 0.31 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2oo5 n LEU 194 CO 0.30 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2oo5 n GLY 195 N 0.98 0.81 3.81 -0.72 0.00 -0.41 -2.55 105.19 107.13 2oo5 n GLY 195 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2oo5 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 s ALA 196 N -2.00 2.91 -0.19 4.61 0.00 -0.91 -4.24 121.76 121.95 2oo5 s ALA 196 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 2oo5 s ALA 196 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 2oo5 s ALA 196 CO 0.00 -0.38 0.83 0.08 0.00 0.00 0.00 175.76 176.29 2oo5 s VAL 197 N -2.34 4.87 -0.22 0.00 1.01 -0.59 -4.43 120.40 118.71 2oo5 s VAL 197 Ca 0.63 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 2oo5 s VAL 197 Cb -0.13 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.14 2oo5 s VAL 197 CO 0.27 0.00 -0.11 -0.69 0.00 0.00 0.00 175.10 174.58 2oo5 s VAL 198 N 2.33 2.68 0.28 2.92 1.01 -1.26 -0.54 120.40 127.82 2oo5 s VAL 198 Ca 0.37 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2oo5 s VAL 198 Cb -0.16 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2oo5 s VAL 198 CO 0.11 0.38 0.41 -0.04 0.00 0.00 0.00 175.10 175.95 2oo5 s MET 199 N 1.35 3.34 0.12 2.72 -1.94 0.48 -2.01 119.30 123.36 2oo5 s MET 199 Ca 0.03 -0.80 -0.23 0.00 -1.71 0.00 0.00 55.69 52.97 2oo5 s MET 199 Cb -0.15 -2.85 0.07 0.00 2.01 0.00 0.00 34.83 33.91 2oo5 s MET 199 CO -0.07 0.29 0.59 0.00 -0.01 0.00 0.00 175.02 175.82 2oo5 s ALA 200 N -2.07 -1.54 0.10 3.03 0.00 -0.39 -1.32 121.76 119.57 2oo5 s ALA 200 Ca 0.38 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 2oo5 s ALA 200 Cb -0.09 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.76 2oo5 s ALA 200 CO 0.30 -0.68 0.34 -0.08 0.00 0.00 0.00 175.76 175.64 2oo5 s THR 201 N -3.29 0.09 0.03 0.00 -1.32 -0.62 -0.19 115.64 110.34 2oo5 s THR 201 Ca -0.01 -0.72 -0.28 0.00 -1.21 0.00 0.00 61.69 59.47 2oo5 s THR 201 Cb -0.01 -1.17 0.09 0.00 -1.51 0.00 0.00 72.50 69.90 2oo5 s THR 201 CO -0.09 -0.40 0.89 -0.62 -2.21 0.00 0.00 174.62 172.19 2oo5 s ASP 202 N -2.70 -0.34 0.07 8.08 -1.08 -1.26 -0.95 116.67 118.50 2oo5 s ASP 202 Ca 0.02 -0.07 0.03 0.00 -0.52 0.00 0.00 52.55 52.00 2oo5 s ASP 202 Cb 0.02 0.41 -0.24 0.00 -1.46 0.00 0.00 42.92 41.65 2oo5 s ASP 202 CO -0.10 -0.68 1.12 -0.37 0.52 0.00 0.00 175.17 175.65 2oo5 h VAL 203 N 2.00 1.49 -3.33 1.11 -1.51 -1.98 -3.47 116.25 110.56 2oo5 h VAL 203 Ca -0.23 -3.16 -0.53 0.00 -1.23 0.00 0.00 66.70 61.55 2oo5 h VAL 203 Cb 1.24 2.82 -0.00 0.00 -2.13 0.00 0.00 31.29 33.22 2oo5 h VAL 203 CO 0.30 0.88 0.48 -0.13 -1.23 0.00 0.00 177.57 177.88 2oo5 s ARG 204 N -2.67 4.51 0.37 5.19 0.52 -1.26 -4.39 118.95 121.21 2oo5 s ARG 204 Ca -0.02 1.65 0.04 0.00 -0.52 0.00 0.00 55.73 56.88 2oo5 s ARG 204 Cb 0.08 -3.37 0.73 0.00 0.52 0.00 0.00 34.95 32.91 2oo5 s ARG 204 CO 0.84 -0.13 2.03 0.00 0.02 0.00 0.00 175.30 178.06 2oo5 h ALA 205 N 6.48 1.62 -0.05 2.13 0.00 -1.87 -2.34 119.26 125.22 2oo5 h ALA 205 Ca -0.42 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2oo5 h ALA 205 Cb 1.22 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2oo5 h ALA 205 CO 0.78 0.35 0.05 0.00 0.00 0.00 0.00 179.25 180.42 2oo5 h ALA 206 N 1.66 1.74 -0.76 0.00 0.00 -1.92 -3.18 119.26 116.79 2oo5 h ALA 206 Ca 0.21 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2oo5 h ALA 206 Cb -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2oo5 h ALA 206 CO -0.05 -0.08 0.46 1.15 0.00 0.00 0.00 179.25 180.74 2oo5 h THR 207 N 0.00 1.03 -0.33 0.00 2.02 -1.78 -3.13 112.91 110.71 2oo5 h THR 207 Ca 0.02 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 66.98 2oo5 h THR 207 Cb 0.12 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 66.55 2oo5 h THR 207 CO -0.00 0.16 -0.21 0.50 0.37 0.00 0.00 175.52 176.33 2oo5 h LYS 208 N 0.86 -0.17 -0.80 6.66 3.64 -1.75 0.23 116.57 125.24 2oo5 h LYS 208 Ca 0.33 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2oo5 h LYS 208 Cb 0.14 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2oo5 h LYS 208 CO -0.16 -0.11 0.36 1.49 -2.27 0.00 0.00 179.45 178.76 2oo5 h GLU 209 N -0.17 1.16 -0.89 1.90 4.81 -1.80 -2.17 114.58 117.42 2oo5 h GLU 209 Ca 0.17 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2oo5 h GLU 209 Cb 0.43 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2oo5 h GLU 209 CO -0.44 0.91 0.52 1.96 -0.73 0.00 0.00 179.01 181.23 2oo5 h GLN 210 N 1.15 1.21 -0.30 1.92 4.20 -0.88 0.14 115.11 122.55 2oo5 h GLN 210 Ca 0.27 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2oo5 h GLN 210 Cb 0.15 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2oo5 h GLN 210 CO -0.03 0.86 -0.04 0.28 -0.67 0.00 0.00 178.83 179.23 2oo5 h VAL 211 N 1.23 1.27 0.00 -0.54 2.07 -0.47 -3.10 116.25 116.71 2oo5 h VAL 211 Ca 0.32 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 2oo5 h VAL 211 Cb -0.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2oo5 h VAL 211 CO -0.06 0.33 -0.23 -0.33 0.02 0.00 0.00 177.57 177.31 2oo5 h GLU 212 N 0.33 0.00 0.00 1.57 5.08 -1.11 -1.80 114.58 118.66 2oo5 h GLU 212 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2oo5 h GLU 212 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2oo5 h GLU 212 CO 0.02 0.23 0.00 0.66 -1.00 0.00 0.00 179.01 178.92 2oo5 h SER 213 N 0.00 0.00 -0.44 1.42 4.64 -0.65 -2.24 113.55 116.28 2oo5 h SER 213 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2oo5 h SER 213 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2oo5 h SER 213 CO 0.03 0.00 0.01 0.18 -0.87 0.00 0.00 176.83 176.18 2oo5 n LEU 214 N -3.03 4.91 -0.48 5.97 4.77 -1.00 -4.97 117.00 123.17 2oo5 n LEU 214 Ca -0.00 -3.00 -0.06 0.00 -0.03 0.00 0.00 56.01 52.92 2oo5 n LEU 214 Cb 0.25 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2oo5 n LEU 214 CO 0.25 0.66 -0.06 0.61 -1.33 0.00 0.00 177.39 177.52 2oo5 n GLY 215 N 0.06 0.80 3.96 -0.72 0.00 -0.84 -4.86 105.19 103.58 2oo5 n GLY 215 Ca 0.26 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2oo5 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oo5 s GLY 216 N -2.48 1.69 -0.22 -0.02 0.00 -0.71 -4.89 107.32 100.69 2oo5 s GLY 216 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 2oo5 s GLY 216 CO 0.00 -0.91 0.00 0.54 0.00 0.00 0.00 173.10 172.73 2oo5 s LYS 217 N -4.70 3.56 0.15 2.90 1.02 -0.85 -3.75 119.74 118.08 2oo5 s LYS 217 Ca 0.53 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.70 2oo5 s LYS 217 Cb -0.10 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 2oo5 s LYS 217 CO 0.39 -0.08 0.89 0.12 -0.92 0.00 0.00 175.35 175.75 2oo5 s PHE 218 N 1.25 3.87 -0.51 3.18 5.36 -1.26 -1.26 117.98 128.62 2oo5 s PHE 218 Ca 0.04 1.76 -0.17 0.00 -0.96 0.00 0.00 56.93 57.59 2oo5 s PHE 218 Cb -0.15 -2.95 0.08 0.00 -0.34 0.00 0.00 43.02 39.66 2oo5 s PHE 218 CO 0.01 0.35 0.53 0.42 -1.46 0.00 0.00 175.22 175.07 2oo5 s ILE 219 N -0.58 5.04 0.37 3.12 1.01 0.73 -4.91 121.20 125.99 2oo5 s ILE 219 Ca 0.42 -0.87 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 2oo5 s ILE 219 Cb -0.24 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 37.88 2oo5 s ILE 219 CO 0.29 -0.76 1.00 0.42 0.00 0.00 0.00 174.94 175.89 2oo5 s THR 220 N 2.15 4.00 0.00 2.92 -4.23 -1.26 -4.69 115.64 114.52 2oo5 s THR 220 Ca 0.09 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2oo5 s THR 220 Cb -0.23 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.79 2oo5 s THR 220 CO 0.08 0.04 0.00 1.33 -0.54 0.00 0.00 174.62 175.53 2oo5 n VAL 221 N 0.17 0.00 -2.99 2.29 0.24 -1.26 -4.96 118.33 111.82 2oo5 n VAL 221 Ca 0.04 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2oo5 n VAL 221 Cb 0.50 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 2oo5 n VAL 221 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2oo5 s ASP 222 N -4.29 -1.20 0.40 -1.34 2.15 -1.26 -4.96 116.67 106.17 2oo5 s ASP 222 Ca 0.00 -0.84 0.09 0.00 0.43 0.00 0.00 52.55 52.23 2oo5 s ASP 222 Cb 0.00 1.54 0.84 0.00 -0.30 0.00 0.00 42.92 45.00 2oo5 s ASP 222 CO 0.00 -0.11 1.97 -2.24 -0.17 0.00 0.00 175.17 174.63 2oo5 h ASP 223 N 6.05 0.30 -0.77 -0.34 3.04 -1.99 -3.04 116.42 119.67 2oo5 h ASP 223 Ca 0.03 -0.04 -0.59 0.00 -3.24 0.00 0.00 57.03 53.19 2oo5 h ASP 223 Cb 1.17 -0.08 -0.07 0.00 -1.04 0.00 0.00 39.33 39.32 2oo5 h ASP 223 CO 0.03 0.35 1.89 -0.70 -2.04 0.00 0.00 179.24 178.77 2oo5 s GLU 224 N -5.00 3.59 0.00 4.15 2.56 -1.26 -2.66 118.70 120.08 2oo5 s GLU 224 Ca -0.06 -1.75 0.00 0.00 0.00 0.00 0.00 54.97 53.16 2oo5 s GLU 224 Cb 0.16 -5.46 0.00 0.00 2.00 0.00 0.00 34.13 30.83 2oo5 s GLU 224 CO 0.73 -2.69 0.00 0.00 -0.56 0.00 0.00 175.26 172.74 2oo5 n ALA 225 N 9.94 0.00 0.30 6.30 0.00 -1.22 -4.94 120.51 130.89 2oo5 n ALA 225 Ca 0.47 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.10 2oo5 n ALA 225 Cb 0.46 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.76 2oo5 n ALA 225 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2oo5 h MET 226 N 0.00 0.00 -0.51 0.00 2.86 -1.39 -3.09 114.93 112.80 2oo5 h MET 226 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2oo5 h MET 226 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2oo5 h MET 226 CO 0.00 0.00 0.30 0.87 1.06 0.00 0.00 176.91 179.14 2oo5 h LYS 227 N 0.00 0.57 -0.14 1.72 1.57 -1.84 -2.98 116.57 115.47 2oo5 h LYS 227 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2oo5 h LYS 227 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2oo5 h LYS 227 CO 0.00 0.38 0.00 0.25 -0.57 0.00 0.00 179.45 179.51 2oo5 n THR 228 N -4.82 0.17 0.20 -0.16 -2.24 -1.17 -4.48 114.28 101.77 2oo5 n THR 228 Ca 0.04 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.45 2oo5 n THR 228 Cb 0.09 0.74 0.39 0.00 -2.10 0.00 0.00 70.33 69.45 2oo5 n THR 228 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oo5 h ALA 229 N 4.35 1.11 -2.89 6.98 0.00 -1.53 -3.44 119.26 123.84 2oo5 h ALA 229 Ca 0.00 -0.32 -0.58 0.00 0.00 0.00 0.00 54.91 54.02 2oo5 h ALA 229 Cb 0.68 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2oo5 h ALA 229 CO 0.00 0.43 -0.13 -2.00 0.00 0.00 0.00 179.25 177.55 2oo5 s GLU 230 N -3.81 4.31 0.93 0.00 2.12 -1.26 -1.39 118.70 119.59 2oo5 s GLU 230 Ca -0.01 0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.61 2oo5 s GLU 230 Cb 0.12 -3.46 0.16 0.00 0.26 0.00 0.00 34.13 31.21 2oo5 s GLU 230 CO 0.68 0.11 1.24 0.95 -0.54 0.00 0.00 175.26 177.70 2oo5 s THR 231 N 0.79 1.97 0.37 -1.70 -4.23 0.50 -4.93 115.64 108.41 2oo5 s THR 231 Ca 0.25 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 2oo5 s THR 231 Cb -0.15 -2.93 0.31 0.00 1.34 0.00 0.00 72.50 71.07 2oo5 s THR 231 CO 0.10 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.11 2oo5 h ALA 232 N -1.51 1.79 -0.14 3.99 0.00 -1.99 -2.29 119.26 119.11 2oo5 h ALA 232 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2oo5 h ALA 232 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2oo5 h ALA 232 CO 0.50 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2oo5 n GLY 233 N -1.45 0.01 1.26 0.00 0.00 -1.26 -4.93 105.19 98.82 2oo5 n GLY 233 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2oo5 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oo5 n GLY 234 N 1.03 0.72 3.90 -0.02 0.00 -0.86 -4.59 105.19 105.36 2oo5 n GLY 234 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2oo5 n GLY 234 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oo5 s TYR 235 N -2.82 3.54 0.28 1.61 1.51 -1.26 -4.74 117.35 115.47 2oo5 s TYR 235 Ca 0.00 0.88 -0.24 0.00 -1.01 0.00 0.00 57.07 56.69 2oo5 s TYR 235 Cb 0.00 -2.42 -0.09 0.00 -0.11 0.00 0.00 41.96 39.34 2oo5 s TYR 235 CO 0.00 -0.41 0.87 0.00 -1.11 0.00 0.00 175.55 174.90 2oo5 s ALA 236 N -2.85 3.29 0.64 3.71 0.00 -1.26 -0.37 121.76 124.92 2oo5 s ALA 236 Ca 0.49 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 2oo5 s ALA 236 Cb -0.10 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 19.98 2oo5 s ALA 236 CO 0.46 0.23 0.95 0.15 0.00 0.00 0.00 175.76 177.56 2oo5 s LYS 237 N -1.92 2.63 0.18 0.00 1.02 -0.49 -4.74 119.74 116.43 2oo5 s LYS 237 Ca 0.47 -0.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.06 2oo5 s LYS 237 Cb -0.19 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.81 2oo5 s LYS 237 CO 0.24 -0.93 1.33 -1.21 -0.92 0.00 0.00 175.35 173.86 2oo5 s GLU 238 N -5.11 4.37 -0.19 1.68 2.02 -1.26 -4.96 118.70 115.25 2oo5 s GLU 238 Ca 0.57 2.06 0.18 0.00 0.02 0.00 0.00 54.97 57.80 2oo5 s GLU 238 Cb -0.11 -3.20 -0.25 0.00 0.10 0.00 0.00 34.13 30.67 2oo5 s GLU 238 CO 0.45 -0.30 0.10 -0.12 0.02 0.00 0.00 175.26 175.41 2oo5 n MET 239 N 2.88 0.69 0.00 1.61 1.56 -1.26 -5.11 117.12 117.49 2oo5 n MET 239 Ca 0.07 -0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 2oo5 n MET 239 Cb 0.43 -1.53 0.00 0.00 2.15 0.00 0.00 33.22 34.27 2oo5 n MET 239 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2oo5 n GLY 240 N 1.73 0.02 0.24 -5.12 0.00 -1.26 -4.54 105.19 96.26 2oo5 n GLY 240 Ca -0.32 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.13 2oo5 n GLY 240 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2oo5 h GLU 241 N 0.00 0.26 -0.31 1.61 4.39 -1.99 -2.06 114.58 116.50 2oo5 h GLU 241 Ca 0.00 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2oo5 h GLU 241 Cb 0.00 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2oo5 h GLU 241 CO 0.00 0.38 0.07 1.49 -1.16 0.00 0.00 179.01 179.79 2oo5 h GLU 242 N 0.25 0.18 -0.11 2.33 4.22 -2.01 -0.33 114.58 119.11 2oo5 h GLU 242 Ca 0.05 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.41 2oo5 h GLU 242 Cb 0.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2oo5 h GLU 242 CO 0.02 0.12 -0.22 0.35 -2.18 0.00 0.00 179.01 177.09 2oo5 h PHE 243 N 0.18 0.44 -0.65 0.92 3.57 -1.76 -3.23 116.94 116.41 2oo5 h PHE 243 Ca 0.14 -0.16 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2oo5 h PHE 243 Cb 0.15 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 2oo5 h PHE 243 CO -0.17 0.84 0.29 -0.09 -2.23 0.00 0.00 178.31 176.95 2oo5 h ARG 244 N -0.08 0.49 -0.69 1.11 2.43 -1.13 0.11 114.38 116.62 2oo5 h ARG 244 Ca 0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2oo5 h ARG 244 Cb 0.81 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 2oo5 h ARG 244 CO 0.05 0.32 0.43 0.87 -1.51 0.00 0.00 179.97 180.13 2oo5 h LYS 245 N 0.51 0.80 -0.05 0.20 1.57 -1.17 -2.15 116.57 116.28 2oo5 h LYS 245 Ca 0.32 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2oo5 h LYS 245 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2oo5 h LYS 245 CO -0.28 0.53 -0.62 -0.22 -0.57 0.00 0.00 179.45 178.30 2oo5 h LYS 246 N 0.83 0.17 -0.05 3.15 3.64 -1.27 -2.15 116.57 120.89 2oo5 h LYS 246 Ca 0.28 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2oo5 h LYS 246 Cb 0.04 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2oo5 h LYS 246 CO -0.12 0.74 0.00 0.37 -2.27 0.00 0.00 179.45 178.17 2oo5 h GLN 247 N 0.13 0.08 -0.73 1.90 4.15 -0.65 -0.95 115.11 119.04 2oo5 h GLN 247 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2oo5 h GLN 247 Cb 1.12 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 2oo5 h GLN 247 CO 0.09 0.36 0.47 0.00 -1.93 0.00 0.00 178.83 177.82 2oo5 h ALA 248 N 0.72 0.93 0.42 3.38 0.00 -1.31 0.13 119.26 123.52 2oo5 h ALA 248 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2oo5 h ALA 248 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2oo5 h ALA 248 CO 0.00 0.37 -0.20 1.49 0.00 0.00 0.00 179.25 180.91 2oo5 h GLU 249 N 0.99 -0.54 -0.62 0.00 4.81 -1.42 -2.20 114.58 115.60 2oo5 h GLU 249 Ca 0.26 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2oo5 h GLU 249 Cb -0.08 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2oo5 h GLU 249 CO -0.05 -0.35 0.19 0.00 -0.73 0.00 0.00 179.01 178.07 2oo5 h ALA 250 N -0.01 1.17 0.00 2.92 0.00 -0.94 -2.68 119.26 119.73 2oo5 h ALA 250 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2oo5 h ALA 250 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2oo5 h ALA 250 CO 0.09 0.58 0.00 -0.24 0.00 0.00 0.00 179.25 179.68 2oo5 h VAL 251 N 0.91 0.00 -0.65 0.00 3.04 -0.80 -3.36 116.25 115.39 2oo5 h VAL 251 Ca 0.20 -0.73 0.04 0.00 -1.01 0.00 0.00 66.70 65.20 2oo5 h VAL 251 Cb 0.26 1.72 -0.05 0.00 -2.01 0.00 0.00 31.29 31.22 2oo5 h VAL 251 CO -0.01 0.00 0.38 0.25 -1.01 0.00 0.00 177.57 177.18 2oo5 h LEU 252 N 0.00 0.60 -0.46 3.16 7.12 -1.03 -1.36 115.31 123.34 2oo5 h LEU 252 Ca 0.00 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.10 2oo5 h LEU 252 Cb 0.84 -0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.80 2oo5 h LEU 252 CO 0.00 0.40 0.09 0.50 -0.13 0.00 0.00 178.44 179.30 2oo5 h LYS 253 N 0.73 0.22 -0.04 1.25 3.64 -1.72 -1.62 116.57 119.02 2oo5 h LYS 253 Ca 0.27 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.44 2oo5 h LYS 253 Cb 0.09 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2oo5 h LYS 253 CO -0.14 0.14 -0.83 0.93 -2.27 0.00 0.00 179.45 177.29 2oo5 h GLU 254 N 0.22 0.40 0.00 1.90 4.39 -1.78 -3.32 114.58 116.39 2oo5 h GLU 254 Ca 0.23 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2oo5 h GLU 254 Cb 0.30 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2oo5 h GLU 254 CO -0.30 1.03 -0.27 1.25 -1.16 0.00 0.00 179.01 179.56 2oo5 h LEU 255 N 0.25 0.00 -1.11 1.33 5.85 -0.63 -1.00 115.31 120.00 2oo5 h LEU 255 Ca -0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2oo5 h LEU 255 Cb 1.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2oo5 h LEU 255 CO 0.14 0.27 -0.36 0.58 -0.34 0.00 0.00 178.44 178.73 2oo5 h VAL 256 N 0.00 1.28 0.00 1.05 2.07 -1.42 -3.05 116.25 116.19 2oo5 h VAL 256 Ca -0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2oo5 h VAL 256 Cb 0.56 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2oo5 h VAL 256 CO 0.04 0.40 -0.54 0.29 0.02 0.00 0.00 177.57 177.77 2oo5 n LYS 257 N -4.08 0.15 -2.46 1.57 5.02 -0.73 -4.19 118.16 113.45 2oo5 n LYS 257 Ca -0.01 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2oo5 n LYS 257 Cb 0.43 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 2oo5 n LYS 257 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2oo5 s THR 258 N -3.09 3.59 -0.20 -0.18 2.01 -0.46 -4.78 115.64 112.53 2oo5 s THR 258 Ca 0.09 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.38 2oo5 s THR 258 Cb 0.15 -3.94 -0.20 0.00 0.01 0.00 0.00 72.50 68.52 2oo5 s THR 258 CO 0.70 0.30 0.20 0.47 -0.69 0.00 0.00 174.62 175.60 2oo5 n ASP 259 N 1.77 1.92 -3.97 3.53 8.00 0.37 -4.66 116.55 123.51 2oo5 n ASP 259 Ca 0.01 0.36 -0.30 0.00 0.71 0.00 0.00 54.79 55.57 2oo5 n ASP 259 Cb 0.45 -0.93 -0.16 0.00 -0.02 0.00 0.00 41.12 40.46 2oo5 n ASP 259 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2oo5 s ILE 260 N -2.42 1.55 -0.35 0.53 1.01 -0.88 -1.46 121.20 119.17 2oo5 s ILE 260 Ca -0.28 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.23 2oo5 s ILE 260 Cb 0.07 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2oo5 s ILE 260 CO 0.62 0.09 0.21 0.00 0.00 0.00 0.00 174.94 175.86 2oo5 s ALA 261 N 1.42 3.37 -0.32 9.38 0.00 -0.52 -1.57 121.76 133.53 2oo5 s ALA 261 Ca -0.02 -1.51 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 2oo5 s ALA 261 Cb -0.17 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 2oo5 s ALA 261 CO -0.08 -1.11 0.16 0.42 0.00 0.00 0.00 175.76 175.16 2oo5 s ILE 262 N 1.64 4.62 -0.16 0.00 1.01 -0.46 -0.70 121.20 127.15 2oo5 s ILE 262 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 2oo5 s ILE 262 Cb -0.18 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2oo5 s ILE 262 CO 0.08 0.04 -0.07 0.42 0.00 0.00 0.00 174.94 175.41 2oo5 s THR 263 N 1.61 3.45 0.00 2.92 -4.23 0.06 -1.26 115.64 118.20 2oo5 s THR 263 Ca 0.04 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2oo5 s THR 263 Cb -0.17 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2oo5 s THR 263 CO 0.06 0.49 0.61 0.35 -0.54 0.00 0.00 174.62 175.59 2oo5 n THR 264 N 3.80 0.34 -2.50 3.99 -2.24 -0.14 -1.09 114.28 116.44 2oo5 n THR 264 Ca -0.18 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 2oo5 n THR 264 Cb 0.52 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 2oo5 n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oo5 s ALA 265 N -0.34 3.35 0.06 6.98 0.00 -1.25 -4.74 121.76 125.81 2oo5 s ALA 265 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2oo5 s ALA 265 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2oo5 s ALA 265 CO 0.00 -0.33 -0.08 -0.51 0.00 0.00 0.00 175.76 174.84 2oo5 s LEU 266 N 0.57 2.30 -0.10 0.00 1.43 -1.26 -4.44 118.68 117.19 2oo5 s LEU 266 Ca 0.55 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2oo5 s LEU 266 Cb -0.28 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 45.77 2oo5 s LEU 266 CO 0.31 -0.24 -0.12 -0.63 0.23 0.00 0.00 176.35 175.90 2oo5 s ILE 267 N -1.77 1.24 0.08 -0.59 1.01 -1.26 -4.67 121.20 115.23 2oo5 s ILE 267 Ca -0.05 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 59.79 2oo5 s ILE 267 Cb -0.07 -1.16 -0.12 0.00 0.01 0.00 0.00 42.46 41.11 2oo5 s ILE 267 CO -0.00 0.39 1.76 -2.65 0.00 0.00 0.00 174.94 174.43 2oo5 n PRO 268 N 4.31 2.39 0.00 2.79 -0.02 -1.26 -2.62 135.00 140.59 2oo5 n PRO 268 Ca -0.18 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2oo5 n PRO 268 Cb 0.51 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2oo5 n PRO 268 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oo5 n GLY 269 N 3.98 1.90 3.92 -1.23 0.00 -1.26 -5.00 105.19 107.50 2oo5 n GLY 269 Ca 0.19 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 2oo5 n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oo5 s LYS 270 N 0.00 3.23 0.65 1.61 -0.14 -1.08 -4.71 119.74 119.31 2oo5 s LYS 270 Ca 0.00 0.05 -0.16 0.00 -1.36 0.00 0.00 55.97 54.49 2oo5 s LYS 270 Cb 0.00 -2.35 -0.00 0.00 -1.68 0.00 0.00 37.83 33.80 2oo5 s LYS 270 CO 0.00 -0.42 1.16 -1.25 -0.76 0.00 0.00 175.35 174.08 2oo5 s PRO 271 N -4.83 2.71 0.41 -1.68 0.04 -1.26 -4.59 135.00 125.80 2oo5 s PRO 271 Ca 0.50 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2oo5 s PRO 271 Cb -0.10 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 2oo5 s PRO 271 CO 0.44 -1.36 1.25 0.00 0.04 0.00 0.00 177.00 177.38 2oo5 s ALA 272 N -2.04 3.19 0.27 8.56 0.00 -0.47 -4.71 121.76 126.55 2oo5 s ALA 272 Ca 0.72 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 2oo5 s ALA 272 Cb -0.25 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2oo5 s ALA 272 CO 0.39 -0.74 1.13 -1.25 0.00 0.00 0.00 175.76 175.29 2oo5 s PRO 273 N -2.30 4.59 -0.32 0.00 0.04 -1.26 -4.76 135.00 131.00 2oo5 s PRO 273 Ca 0.58 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 2oo5 s PRO 273 Cb -0.35 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2oo5 s PRO 273 CO 0.45 0.13 1.53 0.08 0.04 0.00 0.00 177.00 179.23 2oo5 s VAL 274 N -0.97 3.80 -0.06 -0.36 1.01 -1.26 -4.29 120.40 118.26 2oo5 s VAL 274 Ca 0.46 0.85 0.11 0.00 0.00 0.00 0.00 61.98 63.40 2oo5 s VAL 274 Cb -0.33 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 2oo5 s VAL 274 CO 0.41 -0.50 0.15 0.18 0.00 0.00 0.00 175.10 175.34 2oo5 n LEU 275 N 8.81 0.00 -3.97 3.92 4.77 -0.22 -4.89 117.00 125.42 2oo5 n LEU 275 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 2oo5 n LEU 275 Cb 0.47 0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 2oo5 n LEU 275 CO 0.67 0.14 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.81 2oo5 s ILE 276 N -2.54 1.68 0.91 -0.08 1.01 -1.07 -4.87 121.20 116.24 2oo5 s ILE 276 Ca -0.05 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 2oo5 s ILE 276 Cb 0.05 -1.93 0.14 0.00 0.01 0.00 0.00 42.46 40.74 2oo5 s ILE 276 CO 0.47 -0.11 1.20 0.42 0.00 0.00 0.00 174.94 176.92 2oo5 s THR 277 N 1.32 1.97 0.15 2.92 -4.23 -1.26 -4.21 115.64 112.29 2oo5 s THR 277 Ca -0.06 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.31 2oo5 s THR 277 Cb -0.19 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.78 2oo5 s THR 277 CO -0.06 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 175.63 2oo5 h GLU 278 N -1.45 0.70 -0.92 3.99 4.81 -1.99 -2.13 114.58 117.58 2oo5 h GLU 278 Ca -0.47 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2oo5 h GLU 278 Cb 1.30 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 2oo5 h GLU 278 CO 0.55 0.64 0.60 1.49 -0.73 0.00 0.00 179.01 181.56 2oo5 h GLU 279 N 0.61 1.04 -0.64 1.92 4.81 -2.00 -1.89 114.58 118.42 2oo5 h GLU 279 Ca 0.16 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2oo5 h GLU 279 Cb 0.20 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2oo5 h GLU 279 CO -0.01 0.69 0.13 0.52 -0.73 0.00 0.00 179.01 179.60 2oo5 h MET 280 N 1.07 1.03 -0.80 1.92 2.86 -1.86 -2.90 114.93 116.26 2oo5 h MET 280 Ca 0.39 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2oo5 h MET 280 Cb 0.17 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 2oo5 h MET 280 CO -0.14 0.93 0.44 0.28 1.06 0.00 0.00 176.91 179.48 2oo5 h VAL 281 N 0.98 1.23 -0.10 -2.22 2.07 -0.69 -2.66 116.25 114.86 2oo5 h VAL 281 Ca 0.20 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2oo5 h VAL 281 Cb 0.39 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2oo5 h VAL 281 CO 0.01 0.26 -0.12 0.71 0.02 0.00 0.00 177.57 178.45 2oo5 h THR 282 N 1.11 1.14 -0.00 2.57 1.35 -1.20 -3.09 112.91 114.79 2oo5 h THR 282 Ca 0.28 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2oo5 h THR 282 Cb 0.02 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2oo5 h THR 282 CO -0.05 0.19 -0.32 0.29 -0.25 0.00 0.00 175.52 175.38 2oo5 n LYS 283 N -4.33 0.36 -2.37 4.72 5.02 -1.01 -4.89 118.16 115.65 2oo5 n LYS 283 Ca -0.01 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.76 2oo5 n LYS 283 Cb 0.23 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 2oo5 n LYS 283 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2oo5 s MET 284 N -2.77 3.66 0.55 1.97 -1.94 -1.16 -4.71 119.30 114.90 2oo5 s MET 284 Ca 0.18 1.27 -0.20 0.00 -1.71 0.00 0.00 55.69 55.23 2oo5 s MET 284 Cb 0.19 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.89 2oo5 s MET 284 CO 0.60 -0.54 1.16 -1.59 -0.01 0.00 0.00 175.02 174.64 2oo5 s LYS 285 N -3.58 3.31 0.64 2.03 -2.85 -1.26 -4.98 119.74 113.04 2oo5 s LYS 285 Ca 0.65 1.69 -0.18 0.00 -1.00 0.00 0.00 55.97 57.14 2oo5 s LYS 285 Cb -0.15 -2.04 -0.01 0.00 -2.06 0.00 0.00 37.83 33.57 2oo5 s LYS 285 CO 0.26 -0.91 1.25 -2.14 0.10 0.00 0.00 175.35 173.92 2oo5 s PRO 286 N -3.22 2.62 0.00 1.78 0.02 -1.26 -2.73 135.00 132.21 2oo5 s PRO 286 Ca 0.73 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2oo5 s PRO 286 Cb -0.26 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2oo5 s PRO 286 CO 0.30 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2oo5 n GLY 287 N 0.69 1.54 3.79 0.52 0.00 -1.15 -5.05 105.19 105.53 2oo5 n GLY 287 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2oo5 n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oo5 s SER 288 N -3.26 4.72 0.01 1.61 0.01 -1.10 -4.67 113.70 111.00 2oo5 s SER 288 Ca 0.00 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2oo5 s SER 288 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 2oo5 s SER 288 CO 0.00 -1.87 -0.02 0.54 0.41 0.00 0.00 173.24 172.31 2oo5 s VAL 289 N -3.01 0.09 -0.12 3.43 0.11 -0.54 -1.48 120.40 118.89 2oo5 s VAL 289 Ca 0.60 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 2oo5 s VAL 289 Cb -0.15 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2oo5 s VAL 289 CO 0.55 -0.19 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.31 2oo5 s ILE 290 N -0.60 2.47 -0.31 7.04 1.01 -0.77 -1.43 121.20 128.60 2oo5 s ILE 290 Ca -0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2oo5 s ILE 290 Cb -0.04 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 2oo5 s ILE 290 CO -0.00 0.54 0.14 -0.63 0.00 0.00 0.00 174.94 174.99 2oo5 s ILE 291 N 0.38 4.50 -0.70 2.92 -1.09 0.12 0.73 121.20 128.07 2oo5 s ILE 291 Ca -0.15 -0.48 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 2oo5 s ILE 291 Cb -0.17 -3.31 0.18 0.00 -1.58 0.00 0.00 42.46 37.58 2oo5 s ILE 291 CO 0.07 0.05 0.59 -0.62 -1.23 0.00 0.00 174.94 173.80 2oo5 s ASP 292 N 1.59 6.07 0.48 3.58 -1.08 -0.33 -0.76 116.67 126.23 2oo5 s ASP 292 Ca 0.04 -2.62 0.28 0.00 -0.52 0.00 0.00 52.55 49.73 2oo5 s ASP 292 Cb -0.17 -2.06 1.07 0.00 -1.46 0.00 0.00 42.92 40.30 2oo5 s ASP 292 CO 0.06 -0.53 1.88 -0.07 0.52 0.00 0.00 175.17 177.03 2oo5 h LEU 293 N 7.64 0.00 -0.53 -1.34 3.38 -1.41 -2.87 115.31 120.17 2oo5 h LEU 293 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2oo5 h LEU 293 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2oo5 h LEU 293 CO 0.77 0.13 0.00 0.00 0.09 0.00 0.00 178.44 179.43 2oo5 n ALA 294 N -2.17 2.49 -0.14 1.53 0.00 -1.24 -4.44 120.51 116.54 2oo5 n ALA 294 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2oo5 n ALA 294 Cb 0.38 -1.02 0.47 0.00 0.00 0.00 0.00 19.45 19.28 2oo5 n ALA 294 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2oo5 h VAL 295 N 0.88 0.87 0.00 0.00 3.04 -1.85 0.12 116.25 119.31 2oo5 h VAL 295 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2oo5 h VAL 295 Cb 0.20 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2oo5 h VAL 295 CO 0.00 0.09 0.00 -0.33 -1.01 0.00 0.00 177.57 176.32 2oo5 h GLU 296 N 0.49 0.00 -1.08 4.17 5.08 -1.86 -2.68 114.58 118.69 2oo5 h GLU 296 Ca 0.33 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 58.05 2oo5 h GLU 296 Cb 0.63 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.53 2oo5 h GLU 296 CO -0.11 0.00 0.25 0.00 -1.00 0.00 0.00 179.01 178.15 2oo5 n ALA 297 N -1.89 5.86 0.00 3.43 0.00 -0.51 -4.92 120.51 122.49 2oo5 n ALA 297 Ca 0.03 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.75 2oo5 n ALA 297 Cb 0.33 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2oo5 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oo5 n GLY 298 N -0.77 2.70 0.00 0.00 0.00 -1.01 -1.37 105.19 104.73 2oo5 n GLY 298 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2oo5 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oo5 n GLY 299 N -2.00 -1.43 0.13 -0.02 0.00 0.29 -4.60 105.19 97.57 2oo5 n GLY 299 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2oo5 n GLY 299 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2oo5 h ASN 300 N 0.00 0.31 -3.34 1.61 -0.26 -1.77 -3.39 115.58 108.75 2oo5 h ASN 300 Ca 0.00 -0.25 -0.73 0.00 -0.56 0.00 0.00 56.30 54.76 2oo5 h ASN 300 Cb 0.00 -0.10 -0.28 0.00 -1.06 0.00 0.00 38.32 36.89 2oo5 h ASN 300 CO 0.00 1.05 -0.40 0.00 -1.06 0.00 0.00 177.43 177.02 2oo5 n PRO 302 N 4.96 0.42 0.15 0.00 -0.04 -1.26 -1.29 135.00 137.94 2oo5 n PRO 302 Ca -0.10 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 2oo5 n PRO 302 Cb 0.42 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.89 2oo5 n PRO 302 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2oo5 h LEU 303 N 0.00 0.00-10.15 1.53 3.38 -1.91 -3.46 115.31 104.71 2oo5 h LEU 303 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2oo5 h LEU 303 Cb 0.19 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.05 2oo5 h LEU 303 CO 0.00 0.00 0.42 -0.94 0.09 0.00 0.00 178.44 178.01 2oo5 s SER 304 N -4.43 4.98 -0.03 -0.43 1.04 -0.41 -4.99 113.70 109.43 2oo5 s SER 304 Ca 0.04 2.24 0.02 0.00 0.48 0.00 0.00 55.95 58.73 2oo5 s SER 304 Cb 0.09 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.64 2oo5 s SER 304 CO 0.42 -1.72 -0.09 -1.61 0.98 0.00 0.00 173.24 171.21 2oo5 s GLU 305 N -3.70 1.04 0.25 4.02 2.02 -1.26 -4.97 118.70 116.10 2oo5 s GLU 305 Ca 0.73 -0.31 -0.31 0.00 0.02 0.00 0.00 54.97 55.10 2oo5 s GLU 305 Cb -0.26 -0.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.89 2oo5 s GLU 305 CO 0.38 0.10 1.60 -2.30 0.02 0.00 0.00 175.26 175.06 2oo5 n PRO 306 N 3.38 2.58 -1.16 0.39 -0.02 -1.26 -2.53 135.00 136.39 2oo5 n PRO 306 Ca -0.19 0.92 -0.05 0.00 -2.02 0.00 0.00 63.50 62.16 2oo5 n PRO 306 Cb 0.54 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 2oo5 n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oo5 n GLY 307 N 2.78 0.76 2.93 -1.23 0.00 0.57 -4.95 105.19 106.05 2oo5 n GLY 307 Ca 0.12 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2oo5 n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oo5 s LYS 308 N -2.01 0.26 -0.34 1.61 1.02 -1.05 -4.93 119.74 114.30 2oo5 s LYS 308 Ca 0.00 -0.19 -0.14 0.00 0.02 0.00 0.00 55.97 55.66 2oo5 s LYS 308 Cb 0.00 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 2oo5 s LYS 308 CO 0.00 0.05 0.28 0.42 -0.92 0.00 0.00 175.35 175.18 2oo5 s ILE 309 N -0.28 5.25 -0.07 2.17 1.01 -1.26 -2.29 121.20 125.72 2oo5 s ILE 309 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.59 2oo5 s ILE 309 Cb -0.02 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2oo5 s ILE 309 CO -0.00 -0.02 -0.19 0.68 0.00 0.00 0.00 174.94 175.41 2oo5 s VAL 310 N 1.83 2.57 -0.29 2.92 -7.23 -0.47 -4.96 120.40 114.77 2oo5 s VAL 310 Ca 0.08 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 2oo5 s VAL 310 Cb -0.17 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2oo5 s VAL 310 CO 0.11 0.57 0.24 -0.69 -0.31 0.00 0.00 175.10 175.02 2oo5 s VAL 311 N -0.26 5.27 -0.03 1.32 1.01 -1.26 -0.09 120.40 126.36 2oo5 s VAL 311 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 2oo5 s VAL 311 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2oo5 s VAL 311 CO 0.03 0.18 0.06 -0.54 0.00 0.00 0.00 175.10 174.82 2oo5 s LYS 312 N 1.83 -0.04 -1.46 2.72 1.02 -0.74 -4.81 119.74 118.26 2oo5 s LYS 312 Ca 0.09 0.29 -0.07 0.00 0.02 0.00 0.00 55.97 56.30 2oo5 s LYS 312 Cb -0.16 -0.33 0.03 0.00 -0.52 0.00 0.00 37.83 36.85 2oo5 s LYS 312 CO 0.11 -0.23 0.69 0.72 -0.92 0.00 0.00 175.35 175.71 2oo5 n HIS 313 N 4.64 -2.07 -1.11 3.18 8.25 -1.26 -2.23 115.22 124.62 2oo5 n HIS 313 Ca -0.18 0.61 -0.04 0.00 -0.26 0.00 0.00 57.72 57.85 2oo5 n HIS 313 Cb 0.50 -4.11 -0.02 0.00 1.12 0.00 0.00 29.99 27.48 2oo5 n HIS 313 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oo5 n GLY 314 N -1.51 0.61 3.25 -1.41 0.00 -1.26 -4.84 105.19 100.02 2oo5 n GLY 314 Ca -0.06 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2oo5 n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oo5 s VAL 315 N -1.87 2.45 -0.78 1.61 1.01 -0.95 -2.94 120.40 118.94 2oo5 s VAL 315 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 2oo5 s VAL 315 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.45 2oo5 s VAL 315 CO 0.00 0.53 1.11 -0.75 0.00 0.00 0.00 175.10 175.99 2oo5 s LYS 316 N 0.67 3.30 -0.43 2.72 2.20 -0.55 -1.78 119.74 125.87 2oo5 s LYS 316 Ca -0.09 -0.99 -0.23 0.00 -0.36 0.00 0.00 55.97 54.30 2oo5 s LYS 316 Cb -0.16 -4.52 0.02 0.00 -1.51 0.00 0.00 37.83 31.66 2oo5 s LYS 316 CO 0.02 -1.91 0.78 0.42 -0.36 0.00 0.00 175.35 174.30 2oo5 s ILE 317 N 4.11 4.67 -0.10 5.43 1.01 0.87 -1.85 121.20 135.35 2oo5 s ILE 317 Ca 0.29 0.51 -0.10 0.00 0.00 0.00 0.00 60.65 61.36 2oo5 s ILE 317 Cb -0.11 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 2oo5 s ILE 317 CO 0.04 -0.66 0.22 -0.69 0.00 0.00 0.00 174.94 173.85 2oo5 s VAL 318 N 3.24 5.36 -0.41 2.92 1.01 0.22 -1.37 120.40 131.38 2oo5 s VAL 318 Ca 0.30 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.77 2oo5 s VAL 318 Cb -0.12 -3.50 0.34 0.00 0.00 0.00 0.00 36.38 33.09 2oo5 s VAL 318 CO 0.21 0.58 0.90 0.61 0.00 0.00 0.00 175.10 177.40 2oo5 n GLY 319 N 2.18 2.26 3.77 4.51 0.00 -0.97 -1.19 105.19 115.75 2oo5 n GLY 319 Ca -0.17 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2oo5 n GLY 319 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oo5 s HIS 320 N -1.22 2.99 0.37 1.61 3.76 -1.26 -0.32 115.29 121.22 2oo5 s HIS 320 Ca 0.32 1.37 -0.05 0.00 -0.15 0.00 0.00 55.06 56.55 2oo5 s HIS 320 Cb 0.32 -3.73 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 2oo5 s HIS 320 CO -0.07 -2.03 0.65 0.95 -0.85 0.00 0.00 174.74 173.39 2oo5 s THR 321 N -1.10 4.97 -1.21 1.30 -4.23 -1.26 -4.55 115.64 109.56 2oo5 s THR 321 Ca 0.50 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 2oo5 s THR 321 Cb -0.41 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.63 2oo5 s THR 321 CO 0.54 -0.53 0.73 0.59 -0.54 0.00 0.00 174.62 175.41 2oo5 n ASN 322 N -1.48 -3.57 -0.31 3.99 3.02 -1.26 -4.89 115.26 110.75 2oo5 n ASN 322 Ca -0.01 -0.93 -0.05 0.00 -0.03 0.00 0.00 54.58 53.57 2oo5 n ASN 322 Cb 0.55 -3.73 0.08 0.00 -0.61 0.00 0.00 39.78 36.06 2oo5 n ASN 322 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2oo5 h VAL 323 N -1.78 1.25 -0.05 2.41 2.07 -1.97 -1.45 116.25 116.72 2oo5 h VAL 323 Ca -0.64 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.23 2oo5 h VAL 323 Cb 1.36 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2oo5 h VAL 323 CO 0.52 0.29 0.05 -0.65 0.02 0.00 0.00 177.57 177.81 2oo5 h PRO 324 N 1.19 0.00 0.00 1.57 0.11 -1.90 -1.47 132.00 131.51 2oo5 h PRO 324 Ca 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 2oo5 h PRO 324 Cb 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2oo5 h PRO 324 CO -0.04 0.00 -0.06 1.03 -0.21 0.00 0.00 178.00 178.72 2oo5 h SER 325 N 0.00 0.00 0.75 -2.05 0.87 -1.61 -1.59 113.55 109.91 2oo5 h SER 325 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2oo5 h SER 325 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2oo5 h SER 325 CO -0.00 0.06 0.00 0.03 -0.53 0.00 0.00 176.83 176.39 2oo5 h ARG 326 N 0.00 0.00 -1.14 2.24 3.08 -1.30 -2.28 114.38 114.99 2oo5 h ARG 326 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2oo5 h ARG 326 Cb 0.32 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.97 2oo5 h ARG 326 CO 0.01 0.00 -0.39 0.28 -1.07 0.00 0.00 179.97 178.80 2oo5 n VAL 327 N -3.06 2.73 0.04 2.04 0.31 -0.61 -4.93 118.33 114.85 2oo5 n VAL 327 Ca -0.00 -4.28 0.11 0.00 -0.01 0.00 0.00 64.34 60.16 2oo5 n VAL 327 Cb 0.24 -1.19 0.56 0.00 -0.91 0.00 0.00 33.84 32.54 2oo5 n VAL 327 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oo5 h ALA 328 N 2.36 2.04 -0.00 3.52 0.00 -1.31 0.50 119.26 126.36 2oo5 h ALA 328 Ca 0.40 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 2oo5 h ALA 328 Cb 1.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2oo5 h ALA 328 CO 0.96 -0.12 -0.81 0.00 0.00 0.00 0.00 179.25 179.29 2oo5 h ALA 329 N 1.79 0.65 0.17 0.00 0.00 -1.80 -1.80 119.26 118.28 2oo5 h ALA 329 Ca 0.17 -0.71 -0.35 0.00 0.00 0.00 0.00 54.91 54.03 2oo5 h ALA 329 Cb 0.37 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2oo5 h ALA 329 CO -0.03 0.95 -1.74 -0.44 0.00 0.00 0.00 179.25 177.99 2oo5 h ASP 330 N 0.04 0.57 -0.79 0.00 3.32 -1.82 -3.41 116.42 114.33 2oo5 h ASP 330 Ca -0.02 -0.87 -0.00 0.00 0.02 0.00 0.00 57.03 56.15 2oo5 h ASP 330 Cb 1.42 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2oo5 h ASP 330 CO 0.11 1.74 0.48 0.00 -1.72 0.00 0.00 179.24 179.85 2oo5 h ALA 331 N 0.17 1.01 0.41 3.45 0.00 -0.91 -3.17 119.26 120.22 2oo5 h ALA 331 Ca -0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2oo5 h ALA 331 Cb 2.09 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2oo5 h ALA 331 CO 0.17 0.47 -0.20 0.77 0.00 0.00 0.00 179.25 180.46 2oo5 h SER 332 N 1.08 -0.46 0.17 0.00 0.02 -1.54 -1.03 113.55 111.79 2oo5 h SER 332 Ca 0.28 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2oo5 h SER 332 Cb -0.05 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2oo5 h SER 332 CO -0.05 -0.23 -0.17 1.55 -1.14 0.00 0.00 176.83 176.79 2oo5 h PRO 333 N -0.68 0.00 -0.43 3.45 0.13 -1.78 0.58 132.00 133.27 2oo5 h PRO 333 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2oo5 h PRO 333 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2oo5 h PRO 333 CO 0.09 0.17 0.02 -0.07 -0.23 0.00 0.00 178.00 177.98 2oo5 h LEU 334 N 0.00 0.73 -0.54 1.56 3.38 -1.51 -1.12 115.31 117.81 2oo5 h LEU 334 Ca -0.00 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2oo5 h LEU 334 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2oo5 h LEU 334 CO 0.02 0.84 0.26 0.15 0.09 0.00 0.00 178.44 179.81 2oo5 h PHE 335 N 0.59 0.79 -0.60 1.13 3.04 -0.63 -1.87 116.94 119.39 2oo5 h PHE 335 Ca 0.12 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 2oo5 h PHE 335 Cb 0.46 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 2oo5 h PHE 335 CO 0.03 0.61 0.32 0.00 -2.02 0.00 0.00 178.31 177.26 2oo5 h ALA 336 N 1.10 0.77 -0.90 2.41 0.00 -0.85 -2.40 119.26 119.39 2oo5 h ALA 336 Ca 0.19 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2oo5 h ALA 336 Cb 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2oo5 h ALA 336 CO -0.02 0.30 0.58 0.87 0.00 0.00 0.00 179.25 180.97 2oo5 h LYS 337 N 0.82 1.09 -0.17 0.00 1.79 -1.07 -0.95 116.57 118.08 2oo5 h LYS 337 Ca 0.21 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2oo5 h LYS 337 Cb 0.06 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 2oo5 h LYS 337 CO -0.03 0.72 0.11 -0.91 -1.08 0.00 0.00 179.45 178.25 2oo5 h ASN 338 N 1.12 0.18 -0.12 0.86 -0.26 -1.04 -0.10 115.58 116.23 2oo5 h ASN 338 Ca 0.36 -0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 56.03 2oo5 h ASN 338 Cb 0.02 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 2oo5 h ASN 338 CO -0.12 0.13 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.19 2oo5 h LEU 339 N 0.22 0.45 0.08 1.61 4.07 -1.27 -1.23 115.31 119.23 2oo5 h LEU 339 Ca 0.06 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 2oo5 h LEU 339 Cb -0.02 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2oo5 h LEU 339 CO -0.02 0.60 -0.04 0.25 -1.08 0.00 0.00 178.44 178.16 2oo5 h LEU 340 N 0.43 -0.09 -1.52 1.67 5.85 -0.92 -2.49 115.31 118.23 2oo5 h LEU 340 Ca 0.08 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2oo5 h LEU 340 Cb 0.47 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2oo5 h LEU 340 CO 0.03 0.17 0.01 0.78 -0.34 0.00 0.00 178.44 179.08 2oo5 h ASN 341 N -0.36 0.29 -0.31 1.25 2.35 -0.84 0.15 115.58 118.11 2oo5 h ASN 341 Ca -0.01 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2oo5 h ASN 341 Cb 0.31 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2oo5 h ASN 341 CO 0.02 0.34 0.13 0.15 -1.65 0.00 0.00 177.43 176.41 2oo5 h PHE 342 N 0.31 0.47 0.20 1.19 3.57 -1.24 -3.36 116.94 118.08 2oo5 h PHE 342 Ca 0.07 -0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.21 2oo5 h PHE 342 Cb 0.20 -0.14 0.02 0.00 2.79 0.00 0.00 35.95 38.82 2oo5 h PHE 342 CO 0.00 0.45 -1.50 1.25 -2.23 0.00 0.00 178.31 176.28 2oo5 h LEU 343 N 0.35 0.66 -0.75 0.59 5.85 -0.88 -3.40 115.31 117.74 2oo5 h LEU 343 Ca 0.10 -0.78 0.17 0.00 0.84 0.00 0.00 57.88 58.21 2oo5 h LEU 343 Cb 0.18 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 40.88 2oo5 h LEU 343 CO -0.01 1.63 0.18 0.74 -0.34 0.00 0.00 178.44 180.64 2oo5 h THR 344 N 0.12 0.49 0.00 1.05 2.02 -0.87 -0.63 112.91 115.09 2oo5 h THR 344 Ca -0.25 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2oo5 h THR 344 Cb 2.10 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2oo5 h THR 344 CO 0.23 0.05 0.00 -2.65 0.37 0.00 0.00 175.52 173.52 2oo5 n PRO 345 N -5.16 0.12 -0.00 6.66 -0.02 -1.26 -2.48 135.00 132.85 2oo5 n PRO 345 Ca 0.15 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2oo5 n PRO 345 Cb 0.48 -1.78 0.17 0.00 -0.02 0.00 0.00 33.50 32.34 2oo5 n PRO 345 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2oo5 n HIS 346 N -2.02 0.00 -3.22 6.00 8.25 -0.25 -4.94 115.22 119.04 2oo5 n HIS 346 Ca 0.01 -0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 2oo5 n HIS 346 Cb 0.15 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 2oo5 n HIS 346 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2oo5 s VAL 347 N -2.00 4.87 -0.43 1.59 1.01 -1.04 -0.94 120.40 123.47 2oo5 s VAL 347 Ca 0.30 1.23 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 2oo5 s VAL 347 Cb 0.20 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2oo5 s VAL 347 CO 0.31 0.45 0.86 -0.62 0.00 0.00 0.00 175.10 176.09 2oo5 s ASP 348 N -0.39 6.51 0.31 3.32 -1.08 0.37 -4.95 116.67 120.76 2oo5 s ASP 348 Ca 0.30 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 2oo5 s ASP 348 Cb -0.18 -2.42 0.51 0.00 -1.46 0.00 0.00 42.92 39.37 2oo5 s ASP 348 CO 0.17 -0.93 1.93 0.50 0.52 0.00 0.00 175.17 177.36 2oo5 h LYS 349 N 8.86 0.85 0.12 4.34 3.64 -1.88 -1.64 116.57 130.87 2oo5 h LYS 349 Ca -0.24 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2oo5 h LYS 349 Cb 1.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2oo5 h LYS 349 CO 0.98 0.65 -0.06 -0.44 -2.27 0.00 0.00 179.45 178.31 2oo5 h ASP 350 N 0.85 -0.14 1.22 4.20 5.19 -1.95 -3.38 116.42 122.42 2oo5 h ASP 350 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2oo5 h ASP 350 Cb 0.07 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2oo5 h ASP 350 CO -0.03 0.20 -0.02 0.35 -3.12 0.00 0.00 179.24 176.63 2oo5 n THR 351 N -4.14 0.29 -3.28 0.35 -2.24 -1.25 -4.97 114.28 99.05 2oo5 n THR 351 Ca -0.02 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 2oo5 n THR 351 Cb 0.06 -0.52 0.05 0.00 -2.10 0.00 0.00 70.33 67.83 2oo5 n THR 351 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2oo5 n LYS 352 N -1.88 -1.94 -3.88 -0.78 4.01 -0.62 -5.05 118.16 108.02 2oo5 n LYS 352 Ca 0.06 0.93 -0.10 0.00 -0.51 0.00 0.00 58.31 58.69 2oo5 n LYS 352 Cb 0.39 -5.55 -0.09 0.00 -0.51 0.00 0.00 35.03 29.26 2oo5 n LYS 352 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2oo5 s THR 353 N -3.32 0.11 -0.33 -0.18 -4.23 -1.23 -4.59 115.64 101.87 2oo5 s THR 353 Ca 0.37 -0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 59.85 2oo5 s THR 353 Cb -0.06 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 2oo5 s THR 353 CO 0.76 -0.49 0.34 -0.22 -0.54 0.00 0.00 174.62 174.47 2oo5 s LEU 354 N -1.84 4.35 -0.28 4.79 2.96 -1.26 -0.48 118.68 126.92 2oo5 s LEU 354 Ca -0.09 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2oo5 s LEU 354 Cb -0.04 -2.32 0.09 0.00 0.50 0.00 0.00 46.19 44.42 2oo5 s LEU 354 CO -0.02 -0.28 0.05 -0.69 -1.32 0.00 0.00 176.35 174.09 2oo5 s VAL 355 N 1.98 1.16 0.21 1.68 1.01 -0.12 -5.00 120.40 121.32 2oo5 s VAL 355 Ca 0.11 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 2oo5 s VAL 355 Cb -0.16 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 2oo5 s VAL 355 CO 0.11 -0.49 1.07 -0.04 0.00 0.00 0.00 175.10 175.75 2oo5 s MET 356 N 1.50 4.65 -0.57 2.72 1.00 -1.26 -4.64 119.30 122.69 2oo5 s MET 356 Ca 0.05 1.70 -0.27 0.00 0.00 0.00 0.00 55.69 57.17 2oo5 s MET 356 Cb -0.18 -3.26 0.00 0.00 0.00 0.00 0.00 34.83 31.39 2oo5 s MET 356 CO -0.17 0.18 1.59 0.15 0.00 0.00 0.00 175.02 176.77 2oo5 s LYS 357 N -0.74 3.06 0.27 2.03 -0.14 -1.26 -4.88 119.74 118.08 2oo5 s LYS 357 Ca 0.47 0.53 0.11 0.00 -1.36 0.00 0.00 55.97 55.72 2oo5 s LYS 357 Cb -0.29 -4.23 0.35 0.00 -1.68 0.00 0.00 37.83 31.98 2oo5 s LYS 357 CO 0.36 -2.22 1.60 -0.07 -0.76 0.00 0.00 175.35 174.26 2oo5 h LEU 358 N 14.28 0.00 -0.08 3.17 3.38 -1.98 -3.08 115.31 130.99 2oo5 h LEU 358 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2oo5 h LEU 358 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2oo5 h LEU 358 CO 1.19 0.62 0.00 -1.84 0.09 0.00 0.00 178.44 178.50 2oo5 n GLU 359 N -3.76 0.24 -1.77 1.13 0.00 -1.26 -4.16 120.64 111.05 2oo5 n GLU 359 Ca -0.01 0.23 -0.42 0.00 0.00 0.00 0.00 57.16 56.96 2oo5 n GLU 359 Cb 0.62 -1.79 -0.03 0.00 0.00 0.00 0.00 31.44 30.24 2oo5 n GLU 359 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2oo5 s ASP 360 N -4.40 6.46 0.35 -1.84 -1.08 -1.17 -4.85 116.67 110.14 2oo5 s ASP 360 Ca 0.10 2.72 0.03 0.00 -0.52 0.00 0.00 52.55 54.88 2oo5 s ASP 360 Cb 0.12 -2.58 0.66 0.00 -1.46 0.00 0.00 42.92 39.67 2oo5 s ASP 360 CO 0.57 -0.96 1.98 -0.08 0.52 0.00 0.00 175.17 177.20 2oo5 h GLU 361 N 8.02 0.82 -0.69 4.34 4.81 -1.90 0.13 114.58 130.11 2oo5 h GLU 361 Ca -0.44 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 58.84 2oo5 h GLU 361 Cb 1.21 -0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 2oo5 h GLU 361 CO 0.94 0.54 0.30 1.15 -0.73 0.00 0.00 179.01 181.22 2oo5 h THR 362 N 0.85 0.77 0.08 0.32 2.02 -1.96 -1.93 112.91 113.07 2oo5 h THR 362 Ca 0.28 -0.17 -0.17 0.00 0.77 0.00 0.00 66.41 67.11 2oo5 h THR 362 Cb 0.06 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2oo5 h THR 362 CO -0.08 0.09 -0.85 0.58 0.37 0.00 0.00 175.52 175.63 2oo5 h VAL 363 N 0.50 1.35 -0.37 3.16 2.07 -1.21 -3.17 116.25 118.58 2oo5 h VAL 363 Ca 0.35 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 65.40 2oo5 h VAL 363 Cb 0.44 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 2oo5 h VAL 363 CO -0.32 0.63 -0.05 0.77 0.02 0.00 0.00 177.57 178.62 2oo5 h SER 364 N -0.60 0.69 0.40 0.57 4.64 -0.96 -1.19 113.55 117.10 2oo5 h SER 364 Ca -0.19 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.76 2oo5 h SER 364 Cb 1.47 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2oo5 h SER 364 CO 0.03 0.87 -0.16 1.23 -0.87 0.00 0.00 176.83 177.93 2oo5 h GLY 365 N 0.50 0.00 0.00 -0.77 0.00 -1.51 -3.22 103.07 98.07 2oo5 h GLY 365 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2oo5 h GLY 365 CO 0.03 0.00 -1.96 -0.37 0.00 0.00 0.00 176.54 174.24 2oo5 n THR 366 N -3.73 0.12 -2.37 4.70 5.66 -1.18 -4.70 114.28 112.77 2oo5 n THR 366 Ca -0.02 -0.49 -0.42 0.00 -3.05 0.00 0.00 64.05 60.07 2oo5 n THR 366 Cb 0.28 -0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.01 2oo5 n THR 366 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2oo5 n VAL 368 N 4.34 1.18 -3.81 0.00 0.31 -0.65 -3.91 118.33 115.80 2oo5 n VAL 368 Ca 0.11 -0.43 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 2oo5 n VAL 368 Cb 0.45 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 31.98 2oo5 n VAL 368 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2oo5 s THR 369 N -2.41 0.10 -0.24 2.52 -1.32 -1.18 -1.49 115.64 111.61 2oo5 s THR 369 Ca -0.28 -0.79 -0.12 0.00 -1.21 0.00 0.00 61.69 59.28 2oo5 s THR 369 Cb 0.08 -0.91 0.09 0.00 -1.51 0.00 0.00 72.50 70.24 2oo5 s THR 369 CO 0.46 -0.44 0.57 -0.60 -2.21 0.00 0.00 174.62 172.41 2oo5 s ARG 370 N -2.52 0.55 -1.42 7.08 3.52 -0.73 -1.55 118.95 123.88 2oo5 s ARG 370 Ca -0.05 1.13 -0.03 0.00 -0.13 0.00 0.00 55.73 56.65 2oo5 s ARG 370 Cb -0.01 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2oo5 s ARG 370 CO -0.03 -0.17 0.28 -0.25 -0.81 0.00 0.00 175.30 174.31 2oo5 n ASP 371 N 4.65 -5.00 0.00 -2.12 8.00 -1.26 -2.52 116.55 118.31 2oo5 n ASP 371 Ca -0.18 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.21 2oo5 n ASP 371 Cb 0.55 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 2oo5 n ASP 371 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oo5 n GLY 372 N -1.14 0.63 2.93 0.44 0.00 -1.26 -4.89 105.19 101.91 2oo5 n GLY 372 Ca -0.13 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2oo5 n GLY 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 s ALA 373 N -2.00 -0.26 -0.39 4.61 0.00 -1.05 -4.95 121.76 117.72 2oo5 s ALA 373 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 2oo5 s ALA 373 Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2oo5 s ALA 373 CO 0.00 -0.14 1.30 0.42 0.00 0.00 0.00 175.76 177.34 2oo5 s ILE 374 N 1.01 4.08 -0.10 0.00 1.09 -1.26 -1.78 121.20 124.24 2oo5 s ILE 374 Ca -0.08 1.14 -0.02 0.00 -1.10 0.00 0.00 60.65 60.60 2oo5 s ILE 374 Cb -0.10 -4.30 -0.25 0.00 -1.06 0.00 0.00 42.46 36.75 2oo5 s ILE 374 CO -0.05 -0.72 0.45 0.52 -0.10 0.00 0.00 174.94 175.04 2oo5 n VAL 375 N 6.70 1.74 -1.97 2.92 0.31 -0.56 -4.95 118.33 122.53 2oo5 n VAL 375 Ca 0.15 -0.70 -0.42 0.00 -0.01 0.00 0.00 64.34 63.37 2oo5 n VAL 375 Cb 0.48 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 2oo5 n VAL 375 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2oo5 s HIS 376 N -2.57 3.01 0.38 3.52 5.04 -1.20 -4.91 115.29 118.56 2oo5 s HIS 376 Ca -0.18 0.87 0.19 0.00 -1.54 0.00 0.00 55.06 54.40 2oo5 s HIS 376 Cb 0.07 -3.88 1.04 0.00 0.04 0.00 0.00 32.58 29.86 2oo5 s HIS 376 CO 0.79 -3.00 1.94 -1.00 -2.34 0.00 0.00 174.74 171.13 2oo5 h PRO 377 N 5.64 0.00 -0.49 2.88 0.13 -1.92 -2.85 132.00 135.39 2oo5 h PRO 377 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2oo5 h PRO 377 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2oo5 h PRO 377 CO 0.83 0.24 0.33 0.00 -0.23 0.00 0.00 178.00 179.16 2oo5 h ALA 378 N 1.76 1.74 -0.97 -0.56 0.00 -2.00 -2.84 119.26 116.39 2oo5 h ALA 378 Ca -0.00 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 2oo5 h ALA 378 Cb 0.50 -0.17 -0.32 0.00 0.00 0.00 0.00 17.79 17.80 2oo5 h ALA 378 CO 0.03 0.21 0.54 1.28 0.00 0.00 0.00 179.25 181.32 2oo5 n LEU 379 N -4.47 7.11 0.00 0.00 4.77 -1.08 -5.11 117.00 118.23 2oo5 n LEU 379 Ca 0.05 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.58 2oo5 n LEU 379 Cb 0.12 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2oo5 n LEU 379 CO 0.35 1.64 0.00 0.35 -1.33 0.00 0.00 177.39 178.39