#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 4.18 -0.03 2.12 1.02 -1.26 -1.81 119.74 123.95 2oo5 s LYS 2 Ca 0.00 0.72 0.04 0.00 0.02 0.00 0.00 55.97 56.76 2oo5 s LYS 2 Cb 0.00 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 2oo5 s LYS 2 CO 0.00 0.59 -0.17 -1.50 -0.92 0.00 0.00 175.35 173.36 2oo5 s ILE 3 N -1.20 1.36 -0.03 2.17 2.07 0.32 -1.58 121.20 124.31 2oo5 s ILE 3 Ca 0.32 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 2oo5 s ILE 3 Cb -0.19 -1.16 0.01 0.00 0.13 0.00 0.00 42.46 41.25 2oo5 s ILE 3 CO 0.19 0.39 -0.07 0.00 -1.91 0.00 0.00 174.94 173.54 2oo5 s ALA 4 N -0.08 0.77 -0.24 1.50 0.00 -0.89 -0.29 121.76 122.55 2oo5 s ALA 4 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2oo5 s ALA 4 Cb -0.10 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2oo5 s ALA 4 CO 0.01 0.09 -0.11 0.42 0.00 0.00 0.00 175.76 176.18 2oo5 s ILE 5 N 0.39 1.92 0.84 0.00 1.09 -0.71 -2.17 121.20 122.57 2oo5 s ILE 5 Ca -0.06 -1.36 -0.09 0.00 -1.10 0.00 0.00 60.65 58.04 2oo5 s ILE 5 Cb -0.10 -2.03 0.16 0.00 -1.06 0.00 0.00 42.46 39.43 2oo5 s ILE 5 CO 0.01 0.05 1.16 -2.16 -0.10 0.00 0.00 174.94 173.89 2oo5 s PRO 6 N 1.24 1.23 0.29 2.79 0.04 -1.26 -1.72 135.00 137.61 2oo5 s PRO 6 Ca -0.06 -0.69 -0.21 0.00 0.04 0.00 0.00 61.00 60.08 2oo5 s PRO 6 Cb -0.18 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 2oo5 s PRO 6 CO -0.07 -1.89 0.82 0.21 0.04 0.00 0.00 177.00 176.11 2oo5 s LYS 7 N -5.52 4.33 -0.39 4.56 2.20 -1.26 -4.79 119.74 118.88 2oo5 s LYS 7 Ca 0.69 1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 57.04 2oo5 s LYS 7 Cb -0.05 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2oo5 s LYS 7 CO 0.49 0.28 1.11 -1.21 -0.36 0.00 0.00 175.35 175.66 2oo5 s GLU 8 N -2.26 3.92 0.07 4.03 0.41 -1.26 -4.91 118.70 118.70 2oo5 s GLU 8 Ca 0.49 0.86 0.24 0.00 -0.41 0.00 0.00 54.97 56.15 2oo5 s GLU 8 Cb -0.16 -3.81 0.25 0.00 -1.78 0.00 0.00 34.13 28.63 2oo5 s GLU 8 CO 0.21 -1.11 1.21 0.54 -0.49 0.00 0.00 175.26 175.62 2oo5 n ARG 9 N 7.30 0.23 -2.01 1.61 3.00 -1.26 -4.85 116.66 120.69 2oo5 n ARG 9 Ca 0.12 0.03 -0.37 0.00 -0.01 0.00 0.00 57.85 57.63 2oo5 n ARG 9 Cb 0.48 -1.61 0.03 0.00 0.00 0.00 0.00 32.46 31.35 2oo5 n ARG 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2oo5 s ARG 10 N -3.15 3.12 -0.00 5.56 0.52 -1.26 -4.93 118.95 118.82 2oo5 s ARG 10 Ca 0.06 1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 56.87 2oo5 s ARG 10 Cb 0.15 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 2oo5 s ARG 10 CO 0.75 -1.10 1.38 -1.25 0.02 0.00 0.00 175.30 175.09 2oo5 s PRO 11 N -3.15 4.29 0.00 3.54 0.04 -1.26 -2.81 135.00 135.66 2oo5 s PRO 11 Ca 0.74 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2oo5 s PRO 11 Cb -0.32 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2oo5 s PRO 11 CO 0.36 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2oo5 n GLY 12 N 3.60 1.07 3.51 0.56 0.00 -1.26 -5.04 105.19 107.63 2oo5 n GLY 12 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.57 3.29 0.00 1.61 2.56 -1.12 -4.88 118.70 119.58 2oo5 s GLU 13 Ca 0.00 -0.40 0.19 0.00 0.00 0.00 0.00 54.97 54.75 2oo5 s GLU 13 Cb 0.00 -4.04 -0.07 0.00 2.00 0.00 0.00 34.13 32.02 2oo5 s GLU 13 CO 0.00 -1.33 0.90 -0.25 -0.56 0.00 0.00 175.26 174.02 2oo5 n ASP 14 N 6.93 1.52 -4.83 -1.70 8.00 -1.26 -4.76 116.55 120.46 2oo5 n ASP 14 Ca -0.00 -1.26 -0.30 0.00 0.71 0.00 0.00 54.79 53.94 2oo5 n ASP 14 Cb 0.47 0.64 0.09 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.34 2.03 0.03 -1.24 0.52 -1.26 -2.63 118.95 114.07 2oo5 s ARG 15 Ca 0.13 0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2oo5 s ARG 15 Cb 0.15 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 2oo5 s ARG 15 CO 0.56 -1.62 -0.03 0.54 0.02 0.00 0.00 175.30 174.78 2oo5 s VAL 16 N -3.28 0.14 -0.58 3.52 0.11 -1.26 -4.54 120.40 114.51 2oo5 s VAL 16 Ca 0.61 -1.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2oo5 s VAL 16 Cb -0.13 -0.57 0.28 0.00 -1.53 0.00 0.00 36.38 34.43 2oo5 s VAL 16 CO 0.53 -0.62 2.20 0.00 -3.33 0.00 0.00 175.10 173.88 2oo5 n ALA 17 N 1.23 6.12 -3.48 1.54 0.00 -1.26 -4.51 120.51 120.15 2oo5 n ALA 17 Ca -0.22 -3.09 -0.12 0.00 0.00 0.00 0.00 53.44 50.02 2oo5 n ALA 17 Cb 0.56 -1.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.68 0.00 0.12 0.00 1.10 -1.26 -4.69 121.20 112.79 2oo5 s ILE 18 Ca 0.52 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.57 2oo5 s ILE 18 Cb 0.40 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 42.01 2oo5 s ILE 18 CO -0.15 0.00 0.24 -0.94 -2.11 0.00 0.00 174.94 171.97 2oo5 s SER 19 N -2.18 0.07 0.28 4.50 1.04 -1.26 -4.56 113.70 111.58 2oo5 s SER 19 Ca -0.00 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2oo5 s SER 19 Cb -0.01 0.38 0.53 0.00 0.10 0.00 0.00 66.02 67.02 2oo5 s SER 19 CO -0.06 -0.79 1.84 -0.65 0.98 0.00 0.00 173.24 174.56 2oo5 h PRO 20 N 2.65 1.00 -0.42 4.02 0.11 -1.95 -1.37 132.00 136.04 2oo5 h PRO 20 Ca -0.33 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2oo5 h PRO 20 Cb 1.21 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2oo5 h PRO 20 CO 0.53 0.66 0.23 1.49 -0.21 0.00 0.00 178.00 180.69 2oo5 h GLU 21 N 1.03 0.59 -0.05 1.05 4.81 -1.97 -3.02 114.58 117.02 2oo5 h GLU 21 Ca 0.49 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 2oo5 h GLU 21 Cb 0.43 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2oo5 h GLU 21 CO -0.25 0.48 -0.39 0.28 -0.73 0.00 0.00 179.01 178.40 2oo5 h VAL 22 N 0.54 1.29 -0.20 0.32 2.07 -1.81 -2.88 116.25 115.58 2oo5 h VAL 22 Ca 0.15 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 66.30 2oo5 h VAL 22 Cb 0.06 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2oo5 h VAL 22 CO -0.02 0.40 0.08 0.58 0.02 0.00 0.00 177.57 178.63 2oo5 h VAL 23 N 0.08 0.97 -0.79 2.57 2.07 -1.15 -2.12 116.25 117.88 2oo5 h VAL 23 Ca 0.01 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2oo5 h VAL 23 Cb 0.72 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2oo5 h VAL 23 CO 0.05 0.03 0.47 0.11 0.02 0.00 0.00 177.57 178.26 2oo5 h LYS 24 N 0.19 0.82 -0.46 1.57 1.57 -1.41 -0.78 116.57 118.06 2oo5 h LYS 24 Ca 0.08 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2oo5 h LYS 24 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2oo5 h LYS 24 CO -0.07 0.54 -0.11 0.87 -0.57 0.00 0.00 179.45 180.11 2oo5 h LYS 25 N 0.84 0.89 -0.39 3.15 1.79 -1.43 0.11 116.57 121.53 2oo5 h LYS 25 Ca 0.36 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2oo5 h LYS 25 Cb 0.22 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2oo5 h LYS 25 CO -0.19 0.99 0.20 -0.07 -1.08 0.00 0.00 179.45 179.30 2oo5 h LEU 26 N 0.73 0.50 -0.93 2.94 3.38 -1.05 0.55 115.31 121.44 2oo5 h LEU 26 Ca 0.12 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2oo5 h LEU 26 Cb 0.66 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2oo5 h LEU 26 CO 0.05 0.47 0.61 0.58 0.09 0.00 0.00 178.44 180.24 2oo5 h VAL 27 N 0.50 1.21 -0.80 1.22 2.07 -1.05 -0.91 116.25 118.47 2oo5 h VAL 27 Ca 0.14 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2oo5 h VAL 27 Cb 0.09 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.69 2oo5 h VAL 27 CO -0.02 0.22 0.53 1.23 0.02 0.00 0.00 177.57 179.56 2oo5 h GLY 28 N 1.23 1.13 2.00 2.17 0.00 -0.27 -2.37 103.07 106.97 2oo5 h GLY 28 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2oo5 h GLY 28 CO -0.09 0.41 0.00 1.41 0.00 0.00 0.00 176.54 178.26 2oo5 h LEU 29 N 1.08 0.00 0.00 3.11 3.38 -0.36 -3.47 115.31 119.05 2oo5 h LEU 29 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2oo5 h LEU 29 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2oo5 h LEU 29 CO -0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.07 2oo5 n GLY 30 N 0.36 1.31 3.85 0.83 0.00 -0.87 -4.94 105.19 105.74 2oo5 n GLY 30 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 3.43 -0.37 1.61 0.40 -0.40 -4.42 117.98 116.23 2oo5 s PHE 31 Ca 0.00 1.28 -0.15 0.00 -0.60 0.00 0.00 56.93 57.46 2oo5 s PHE 31 Cb 0.00 -2.62 0.00 0.00 0.51 0.00 0.00 43.02 40.91 2oo5 s PHE 31 CO 0.00 -0.17 0.31 -1.21 0.70 0.00 0.00 175.22 174.85 2oo5 s GLU 32 N -3.73 3.30 -0.29 0.44 2.02 -0.75 -4.23 118.70 115.45 2oo5 s GLU 32 Ca 0.55 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.68 2oo5 s GLU 32 Cb -0.10 -3.88 -0.03 0.00 0.10 0.00 0.00 34.13 30.22 2oo5 s GLU 32 CO 0.27 -0.61 0.36 0.08 0.02 0.00 0.00 175.26 175.38 2oo5 s VAL 33 N 1.84 5.18 -0.04 2.63 1.01 -1.26 -0.52 120.40 129.24 2oo5 s VAL 33 Ca 0.08 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.47 2oo5 s VAL 33 Cb -0.18 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2oo5 s VAL 33 CO 0.11 0.09 -0.09 -0.63 0.00 0.00 0.00 175.10 174.58 2oo5 s ILE 34 N 2.04 3.51 0.00 2.22 1.09 0.61 -1.08 121.20 129.58 2oo5 s ILE 34 Ca 0.13 -0.66 0.02 0.00 -1.10 0.00 0.00 60.65 59.05 2oo5 s ILE 34 Cb -0.16 -2.45 -0.01 0.00 -1.06 0.00 0.00 42.46 38.78 2oo5 s ILE 34 CO 0.11 0.52 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.71 2oo5 s VAL 35 N -0.86 0.48 0.48 2.92 1.01 -0.47 -1.73 120.40 122.22 2oo5 s VAL 35 Ca 0.14 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 2oo5 s VAL 35 Cb -0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 2oo5 s VAL 35 CO 0.03 0.05 1.14 -0.70 0.00 0.00 0.00 175.10 175.63 2oo5 s GLU 36 N -0.37 3.70 0.13 2.72 2.12 -0.70 -1.70 118.70 124.60 2oo5 s GLU 36 Ca 0.00 1.70 -0.32 0.00 0.36 0.00 0.00 54.97 56.71 2oo5 s GLU 36 Cb -0.03 -2.31 -0.11 0.00 0.26 0.00 0.00 34.13 31.93 2oo5 s GLU 36 CO -0.00 -0.58 1.79 0.94 -0.54 0.00 0.00 175.26 176.86 2oo5 n GLN 37 N -0.67 2.65 -1.20 4.30 7.27 0.59 -2.60 117.38 127.72 2oo5 n GLN 37 Ca 0.08 0.96 -0.07 0.00 0.07 0.00 0.00 57.00 58.04 2oo5 n GLN 37 Cb 0.49 -2.83 -0.03 0.00 2.41 0.00 0.00 30.24 30.28 2oo5 n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2oo5 n GLY 38 N 4.08 0.92 0.25 1.69 0.00 -1.26 -4.93 105.19 105.94 2oo5 n GLY 38 Ca 0.18 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 0.63 -0.44 4.61 0.00 -1.83 -3.17 119.26 119.06 2oo5 h ALA 39 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2oo5 h ALA 39 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2oo5 h ALA 39 CO 0.21 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2oo5 n GLY 40 N 0.14 1.95 0.20 0.00 0.00 -1.25 -4.52 105.19 101.70 2oo5 n GLY 40 Ca -0.02 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 2.81 1.19 0.00 1.61 2.07 -1.63 0.38 116.25 122.67 2oo5 h VAL 41 Ca 0.00 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2oo5 h VAL 41 Cb 1.10 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2oo5 h VAL 41 CO 0.17 0.21 -0.16 1.23 0.02 0.00 0.00 177.57 179.05 2oo5 h GLY 42 N 0.55 0.00 -2.61 2.17 0.00 -1.79 -2.22 103.07 99.17 2oo5 h GLY 42 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2oo5 h GLY 42 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.52 2oo5 n ALA 43 N -2.43 2.70 -3.01 3.60 0.00 -0.91 -4.47 120.51 115.99 2oo5 n ALA 43 Ca -0.02 -1.27 -0.22 0.00 0.00 0.00 0.00 53.44 51.92 2oo5 n ALA 43 Cb 0.23 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 1.22 -5.55 -4.23 0.00 7.64 -0.24 -4.32 113.62 108.14 2oo5 n SER 44 Ca 0.23 -0.26 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 2oo5 n SER 44 Cb 0.68 -4.52 -0.13 0.00 -1.01 0.00 0.00 64.21 59.23 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 -3.10 3.38 0.86 0.44 1.01 0.12 -5.00 121.20 118.90 2oo5 s ILE 45 Ca 0.28 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 2oo5 s ILE 45 Cb -0.13 -2.90 0.11 0.00 0.01 0.00 0.00 42.46 39.55 2oo5 s ILE 45 CO 0.35 -0.10 1.15 0.42 0.00 0.00 0.00 174.94 176.76 2oo5 s THR 46 N 1.34 2.12 0.10 2.92 -4.23 -1.26 -3.74 115.64 112.89 2oo5 s THR 46 Ca -0.03 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 2oo5 s THR 46 Cb -0.19 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 2oo5 s THR 46 CO 0.01 -0.05 1.47 0.44 -0.54 0.00 0.00 174.62 175.95 2oo5 h ASP 47 N -1.28 0.70 -0.82 3.99 3.32 -1.96 -3.12 116.42 117.25 2oo5 h ASP 47 Ca -0.48 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.22 2oo5 h ASP 47 Cb 1.32 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 2oo5 h ASP 47 CO 0.63 0.95 0.50 0.44 -1.72 0.00 0.00 179.24 180.04 2oo5 h ASP 48 N 0.44 0.77 -0.94 6.45 3.32 -1.99 -1.68 116.42 122.79 2oo5 h ASP 48 Ca 0.07 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2oo5 h ASP 48 Cb 0.69 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 2oo5 h ASP 48 CO 0.05 0.49 0.57 0.00 -1.72 0.00 0.00 179.24 178.64 2oo5 h ALA 49 N 1.39 1.24 -0.20 3.45 0.00 -1.94 -2.01 119.26 121.20 2oo5 h ALA 49 Ca 0.36 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2oo5 h ALA 49 Cb 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2oo5 h ALA 49 CO -0.18 0.66 -0.66 -0.07 0.00 0.00 0.00 179.25 179.00 2oo5 h LEU 50 N 1.30 0.85 -0.80 0.00 3.38 -1.34 -2.61 115.31 116.09 2oo5 h LEU 50 Ca 0.34 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2oo5 h LEU 50 Cb -0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2oo5 h LEU 50 CO -0.06 1.29 -0.10 0.71 0.09 0.00 0.00 178.44 180.37 2oo5 h THR 51 N 0.54 1.26 -0.67 0.22 1.35 -1.26 -2.46 112.91 111.89 2oo5 h THR 51 Ca -0.02 -1.16 -0.03 0.00 -0.55 0.00 0.00 66.41 64.65 2oo5 h THR 51 Cb 1.27 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 2oo5 h THR 51 CO 0.14 0.40 0.31 0.00 -0.25 0.00 0.00 175.52 176.11 2oo5 h ALA 52 N 1.16 1.29 0.00 6.62 0.00 -1.32 -2.24 119.26 124.77 2oo5 h ALA 52 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2oo5 h ALA 52 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2oo5 h ALA 52 CO 0.04 0.54 -0.29 0.00 0.00 0.00 0.00 179.25 179.54 2oo5 h ALA 53 N 1.39 1.32 0.00 0.00 0.00 -1.25 -3.47 119.26 117.26 2oo5 h ALA 53 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2oo5 h ALA 53 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2oo5 h ALA 53 CO -0.03 0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2oo5 n GLY 54 N -0.46 0.90 3.26 0.00 0.00 -0.84 -4.19 105.19 103.86 2oo5 n GLY 54 Ca -0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.11 1.54 -0.16 4.61 0.00 -1.03 -4.64 121.76 121.97 2oo5 s ALA 55 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 2oo5 s ALA 55 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2oo5 s ALA 55 CO 0.00 -0.00 0.21 0.99 0.00 0.00 0.00 175.76 176.95 2oo5 s THR 56 N -2.85 5.36 -0.44 0.00 2.01 -0.24 -4.23 115.64 115.25 2oo5 s THR 56 Ca 0.15 0.37 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 2oo5 s THR 56 Cb -0.01 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 69.00 2oo5 s THR 56 CO 0.02 0.46 0.62 -0.63 -0.69 0.00 0.00 174.62 174.41 2oo5 s ILE 57 N 0.06 4.85 0.33 1.82 -1.09 -1.26 -1.37 121.20 124.54 2oo5 s ILE 57 Ca 0.13 0.01 -0.25 0.00 -2.23 0.00 0.00 60.65 58.31 2oo5 s ILE 57 Cb -0.12 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.45 2oo5 s ILE 57 CO 0.02 -0.61 0.93 0.00 -1.23 0.00 0.00 174.94 174.06 2oo5 s ALA 58 N 2.75 3.19 -0.03 9.38 0.00 -0.69 -4.90 121.76 131.48 2oo5 s ALA 58 Ca 0.21 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 2oo5 s ALA 58 Cb -0.15 -3.16 -0.23 0.00 0.00 0.00 0.00 23.12 19.59 2oo5 s ALA 58 CO 0.18 0.18 1.08 0.66 0.00 0.00 0.00 175.76 177.86 2oo5 h SER 59 N 2.99 0.33 -1.63 0.00 4.64 -1.96 0.17 113.55 118.09 2oo5 h SER 59 Ca -0.47 -0.74 -0.53 0.00 -0.47 0.00 0.00 61.79 59.58 2oo5 h SER 59 Cb 1.19 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 2oo5 h SER 59 CO 0.64 1.02 -0.45 0.42 -0.87 0.00 0.00 176.83 177.60 2oo5 s THR 60 N -3.28 2.67 0.08 2.95 -4.23 -1.26 -4.12 115.64 108.45 2oo5 s THR 60 Ca -0.15 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 2oo5 s THR 60 Cb 0.02 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 70.76 2oo5 s THR 60 CO 0.77 -0.04 1.47 0.00 -0.54 0.00 0.00 174.62 176.27 2oo5 h ALA 61 N 1.27 0.34 -0.66 3.99 0.00 -1.97 -2.91 119.26 119.32 2oo5 h ALA 61 Ca -0.42 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.25 2oo5 h ALA 61 Cb 1.26 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2oo5 h ALA 61 CO 0.63 0.15 0.39 0.00 0.00 0.00 0.00 179.25 180.42 2oo5 h ALA 62 N 0.75 0.87 -0.27 0.00 0.00 -1.97 -1.90 119.26 116.74 2oo5 h ALA 62 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2oo5 h ALA 62 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2oo5 h ALA 62 CO 0.03 0.12 -0.30 1.96 0.00 0.00 0.00 179.25 181.06 2oo5 h GLN 63 N 0.76 0.56 -0.64 0.00 4.20 -1.96 -1.30 115.11 116.73 2oo5 h GLN 63 Ca 0.27 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2oo5 h GLN 63 Cb 0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2oo5 h GLN 63 CO -0.13 0.80 0.23 0.00 -0.67 0.00 0.00 178.83 179.07 2oo5 h ALA 64 N 1.19 0.84 -0.02 3.87 0.00 -1.27 -3.28 119.26 120.58 2oo5 h ALA 64 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2oo5 h ALA 64 Cb 0.77 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2oo5 h ALA 64 CO 0.06 0.48 -0.03 1.28 0.00 0.00 0.00 179.25 181.04 2oo5 n LEU 65 N -4.40 2.28 0.08 0.00 4.32 -0.75 -4.50 117.00 114.04 2oo5 n LEU 65 Ca 0.04 -0.76 -0.13 0.00 -0.02 0.00 0.00 56.01 55.14 2oo5 n LEU 65 Cb 0.19 -0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.90 2oo5 n LEU 65 CO 0.40 0.38 0.66 0.77 -1.22 0.00 0.00 177.39 178.38 2oo5 h SER 66 N 3.54 -0.16 -0.50 -1.43 4.64 -1.30 -3.25 113.55 115.09 2oo5 h SER 66 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2oo5 h SER 66 Cb 0.77 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2oo5 h SER 66 CO 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 2oo5 n GLN 67 N -5.04 3.33 -2.78 4.77 6.02 -1.26 -4.49 117.38 117.93 2oo5 n GLN 67 Ca -0.09 -2.67 -0.42 0.00 -0.01 0.00 0.00 57.00 53.82 2oo5 n GLN 67 Cb 0.21 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 2oo5 n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2oo5 s ALA 68 N -1.81 3.60 0.13 -1.58 0.00 -1.24 -4.70 121.76 116.15 2oo5 s ALA 68 Ca 0.42 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.40 2oo5 s ALA 68 Cb 0.28 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 2oo5 s ALA 68 CO 0.19 -0.86 1.36 -0.44 0.00 0.00 0.00 175.76 176.01 2oo5 h ASP 69 N 7.43 0.76 -4.27 0.00 3.32 -1.67 -3.41 116.42 118.58 2oo5 h ASP 69 Ca -0.24 -0.50 -0.52 0.00 0.02 0.00 0.00 57.03 55.79 2oo5 h ASP 69 Cb 1.10 -0.23 -0.29 0.00 0.22 0.00 0.00 39.33 40.13 2oo5 h ASP 69 CO 0.90 1.28 -0.82 0.54 -1.72 0.00 0.00 179.24 179.41 2oo5 s VAL 70 N -3.70 1.26 -0.15 -1.35 0.11 -1.01 -2.08 120.40 113.49 2oo5 s VAL 70 Ca -0.08 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 2oo5 s VAL 70 Cb 0.09 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2oo5 s VAL 70 CO 0.88 0.35 -0.20 -0.69 -3.33 0.00 0.00 175.10 172.11 2oo5 s VAL 71 N -0.39 1.99 -0.18 2.04 1.01 0.22 -2.10 120.40 122.99 2oo5 s VAL 71 Ca 0.06 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2oo5 s VAL 71 Cb -0.06 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2oo5 s VAL 71 CO -0.01 0.53 0.08 0.26 0.00 0.00 0.00 175.10 175.96 2oo5 s TRP 72 N 1.05 3.30 0.09 5.22 0.52 -0.92 -1.21 118.94 126.98 2oo5 s TRP 72 Ca -0.02 0.16 -0.08 0.00 0.02 0.00 0.00 56.10 56.18 2oo5 s TRP 72 Cb -0.14 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 2oo5 s TRP 72 CO -0.07 0.23 0.17 0.21 0.02 0.00 0.00 176.95 177.51 2oo5 s LYS 73 N 0.23 0.83 0.00 4.98 2.20 -0.75 -4.19 119.74 123.04 2oo5 s LYS 73 Ca 0.05 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 2oo5 s LYS 73 Cb -0.12 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2oo5 s LYS 73 CO -0.00 -0.26 0.00 0.28 -0.36 0.00 0.00 175.35 175.01 2oo5 n VAL 74 N -0.05 0.00 -2.89 4.02 0.31 -1.26 -4.10 118.33 114.35 2oo5 n VAL 74 Ca -0.15 0.45 -0.21 0.00 -0.01 0.00 0.00 64.34 64.43 2oo5 n VAL 74 Cb 0.62 -1.37 0.02 0.00 -0.91 0.00 0.00 33.84 32.20 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 -0.90 2.79 0.60 5.55 -0.21 -1.26 -0.55 119.66 125.69 2oo5 s GLN 75 Ca 0.00 -0.81 -0.19 0.00 0.02 0.00 0.00 55.36 54.37 2oo5 s GLN 75 Cb 0.00 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 2oo5 s GLN 75 CO 0.00 -0.43 1.28 -0.98 -2.12 0.00 0.00 175.29 173.04 2oo5 s ARG 76 N -4.57 2.86 0.38 2.91 1.70 -1.01 -4.74 118.95 116.49 2oo5 s ARG 76 Ca 0.53 2.04 -0.26 0.00 -0.47 0.00 0.00 55.73 57.57 2oo5 s ARG 76 Cb -0.10 -2.00 -0.09 0.00 -0.57 0.00 0.00 34.95 32.19 2oo5 s ARG 76 CO 0.36 -1.35 1.16 -1.25 -1.08 0.00 0.00 175.30 173.14 2oo5 s PRO 77 N -3.21 4.15 0.63 3.89 0.04 -1.26 -5.02 135.00 134.21 2oo5 s PRO 77 Ca 0.78 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 2oo5 s PRO 77 Cb -0.36 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2oo5 s PRO 77 CO 0.40 -0.24 1.05 -1.64 0.04 0.00 0.00 177.00 176.61 2oo5 s MET 78 N -2.19 3.24 0.47 4.56 -1.94 -1.26 -4.79 119.30 117.38 2oo5 s MET 78 Ca 0.55 1.05 0.06 0.00 -1.71 0.00 0.00 55.69 55.64 2oo5 s MET 78 Cb -0.31 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.49 2oo5 s MET 78 CO 0.39 -0.86 0.21 0.95 -0.01 0.00 0.00 175.02 175.69 2oo5 s THR 79 N -2.76 1.91 0.27 2.05 -4.23 -1.13 -1.22 115.64 110.53 2oo5 s THR 79 Ca 0.60 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2oo5 s THR 79 Cb -0.14 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.36 2oo5 s THR 79 CO 0.45 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.43 2oo5 h ALA 80 N 1.23 1.39 -0.06 3.99 0.00 -1.92 -2.06 119.26 121.84 2oo5 h ALA 80 Ca -0.41 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2oo5 h ALA 80 Cb 1.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2oo5 h ALA 80 CO 0.67 0.50 0.04 1.49 0.00 0.00 0.00 179.25 181.95 2oo5 h GLU 81 N 1.20 0.00 -0.49 0.00 4.81 -1.96 -1.70 114.58 116.44 2oo5 h GLU 81 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2oo5 h GLU 81 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2oo5 h GLU 81 CO -0.14 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.53 2oo5 n GLU 82 N -4.40 2.20 -1.01 1.92 1.02 -0.79 -4.95 120.64 114.63 2oo5 n GLU 82 Ca -0.02 -1.72 -0.00 0.00 -0.02 0.00 0.00 57.16 55.40 2oo5 n GLU 82 Cb 0.14 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.18 0.47 3.07 0.62 0.00 -0.64 -4.89 105.19 105.00 2oo5 n GLY 83 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.96 -0.88 -1.27 2.61 2.01 -1.10 -5.03 115.64 110.02 2oo5 s THR 84 Ca 0.00 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 2oo5 s THR 84 Cb 0.00 -0.96 0.12 0.00 0.01 0.00 0.00 72.50 71.68 2oo5 s THR 84 CO 0.00 -0.05 1.66 -0.67 -0.69 0.00 0.00 174.62 174.87 2oo5 n ASP 85 N 5.41 5.00 0.09 3.53 -0.08 -1.25 -2.82 116.55 126.42 2oo5 n ASP 85 Ca -0.00 -2.96 -0.04 0.00 -1.51 0.00 0.00 54.79 50.27 2oo5 n ASP 85 Cb 0.51 -1.63 0.01 0.00 2.34 0.00 0.00 41.12 42.34 2oo5 n ASP 85 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2oo5 h GLU 86 N 7.06 0.00 -0.83 -0.67 5.08 -1.45 -3.30 114.58 120.47 2oo5 h GLU 86 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2oo5 h GLU 86 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2oo5 h GLU 86 CO 1.42 0.83 0.52 0.28 -1.00 0.00 0.00 179.01 181.05 2oo5 h VAL 87 N 0.00 1.23 -0.49 3.13 2.07 -1.75 -2.67 116.25 117.77 2oo5 h VAL 87 Ca -0.01 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2oo5 h VAL 87 Cb 1.48 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2oo5 h VAL 87 CO 0.11 0.23 0.32 0.00 0.02 0.00 0.00 177.57 178.25 2oo5 h ALA 88 N 1.28 1.67 0.00 1.67 0.00 -1.87 -2.77 119.26 119.23 2oo5 h ALA 88 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2oo5 h ALA 88 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2oo5 h ALA 88 CO -0.06 0.30 -0.24 -0.07 0.00 0.00 0.00 179.25 179.19 2oo5 h LEU 89 N 0.65 0.00 -9.84 0.00 3.38 -1.59 -3.44 115.31 104.47 2oo5 h LEU 89 Ca 0.18 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.65 2oo5 h LEU 89 Cb -0.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.73 2oo5 h LEU 89 CO -0.04 0.24 0.49 -0.63 0.09 0.00 0.00 178.44 178.59 2oo5 s ILE 90 N -3.96 3.37 0.56 1.22 1.01 -1.05 -4.07 121.20 118.28 2oo5 s ILE 90 Ca -0.02 1.33 -0.19 0.00 0.00 0.00 0.00 60.65 61.77 2oo5 s ILE 90 Cb 0.12 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2oo5 s ILE 90 CO 0.64 0.28 1.16 -0.75 0.00 0.00 0.00 174.94 176.27 2oo5 s LYS 91 N -1.66 3.21 0.16 2.79 2.20 -1.23 -4.98 119.74 120.23 2oo5 s LYS 91 Ca 0.47 1.69 -0.30 0.00 -0.36 0.00 0.00 55.97 57.47 2oo5 s LYS 91 Cb -0.32 -1.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.95 2oo5 s LYS 91 CO 0.41 -0.99 1.16 -2.00 -0.36 0.00 0.00 175.35 173.57 2oo5 s GLU 92 N -3.31 4.52 -0.04 4.03 2.12 -1.26 -2.85 118.70 121.91 2oo5 s GLU 92 Ca 0.74 1.79 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2oo5 s GLU 92 Cb -0.26 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2oo5 s GLU 92 CO 0.29 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 2oo5 n GLY 93 N 2.28 0.45 3.71 -1.50 0.00 -1.01 -5.02 105.19 104.10 2oo5 n GLY 93 Ca 0.04 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2oo5 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 n ALA 94 N 1.01 -1.12 -3.72 4.61 0.00 -1.13 -4.73 120.51 115.42 2oo5 n ALA 94 Ca -0.00 -1.71 -0.30 0.00 0.00 0.00 0.00 53.44 51.43 2oo5 n ALA 94 Cb 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.36 2oo5 n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oo5 s VAL 95 N -3.62 1.62 -0.10 0.00 0.11 -0.88 -0.91 120.40 116.62 2oo5 s VAL 95 Ca 0.71 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 2oo5 s VAL 95 Cb -0.02 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 2oo5 s VAL 95 CO 0.49 0.47 0.12 -0.22 -3.33 0.00 0.00 175.10 172.63 2oo5 s LEU 96 N 1.03 4.24 -0.14 2.54 0.20 -0.85 -0.61 118.68 125.10 2oo5 s LEU 96 Ca -0.05 0.39 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 2oo5 s LEU 96 Cb -0.15 -2.10 0.04 0.00 -0.43 0.00 0.00 46.19 43.56 2oo5 s LEU 96 CO -0.03 0.38 -0.00 -0.04 -0.29 0.00 0.00 176.35 176.37 2oo5 s MET 97 N -1.13 0.84 0.20 1.98 -1.94 -0.35 -0.12 119.30 118.78 2oo5 s MET 97 Ca 0.16 -0.22 -0.22 0.00 -1.71 0.00 0.00 55.69 53.70 2oo5 s MET 97 Cb -0.12 -1.61 0.07 0.00 2.01 0.00 0.00 34.83 35.18 2oo5 s MET 97 CO 0.06 -0.44 0.97 0.00 -0.01 0.00 0.00 175.02 175.60 2oo5 s HIS 99 N -2.60 2.17 0.03 0.00 5.65 0.29 -1.17 115.29 119.65 2oo5 s HIS 99 Ca 0.17 -0.11 0.18 0.00 0.25 0.00 0.00 55.06 55.56 2oo5 s HIS 99 Cb -0.03 -4.36 0.47 0.00 -1.18 0.00 0.00 32.58 27.48 2oo5 s HIS 99 CO 0.05 -1.82 1.63 1.25 -0.65 0.00 0.00 174.74 175.21 2oo5 h LEU 100 N 15.41 0.00 -0.95 8.88 5.85 -1.87 -2.69 115.31 139.95 2oo5 h LEU 100 Ca 0.16 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.48 2oo5 h LEU 100 Cb 1.00 0.00 0.13 0.00 0.37 0.00 0.00 40.66 42.16 2oo5 h LEU 100 CO 1.32 0.40 -0.70 0.61 -0.34 0.00 0.00 178.44 179.73 2oo5 n GLY 101 N 0.63 -0.52 0.28 3.75 0.00 -1.26 -4.63 105.19 103.43 2oo5 n GLY 101 Ca 0.01 0.24 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 1.00 0.90 0.00 4.61 0.00 -1.92 0.16 119.26 124.02 2oo5 h ALA 102 Ca -0.57 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2oo5 h ALA 102 Cb 1.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2oo5 h ALA 102 CO 0.56 0.33 0.00 -0.07 0.00 0.00 0.00 179.25 180.07 2oo5 h LEU 103 N 0.96 0.00 0.00 0.00 4.07 -1.99 -3.14 115.31 115.21 2oo5 h LEU 103 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2oo5 h LEU 103 Cb -0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.65 2oo5 h LEU 103 CO -0.05 0.00 -1.43 0.35 -1.08 0.00 0.00 178.44 176.23 2oo5 n THR 104 N -2.51 0.00 -3.86 0.22 -2.24 -0.95 -4.88 114.28 100.07 2oo5 n THR 104 Ca 0.02 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 2oo5 n THR 104 Cb 0.30 0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.21 4.45 0.08 3.42 -0.87 0.53 -4.94 114.94 114.40 2oo5 s ASN 105 Ca -0.03 -3.67 -0.15 0.00 -1.57 0.00 0.00 52.86 47.43 2oo5 s ASN 105 Cb 0.08 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.25 39.64 2oo5 s ASN 105 CO 0.48 -0.11 1.30 -0.09 -2.57 0.00 0.00 177.10 176.11 2oo5 h ARG 106 N 5.56 0.66 -0.98 -0.60 2.43 -1.85 -3.25 114.38 116.36 2oo5 h ARG 106 Ca 0.13 -0.49 0.26 0.00 -0.81 0.00 0.00 59.98 59.07 2oo5 h ARG 106 Cb 0.79 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 30.29 2oo5 h ARG 106 CO 0.68 1.11 0.53 -1.35 -1.51 0.00 0.00 179.97 179.43 2oo5 h PRO 107 N 0.34 0.44 -0.21 0.20 0.11 -1.95 0.22 132.00 131.15 2oo5 h PRO 107 Ca -0.02 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 2oo5 h PRO 107 Cb 1.16 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2oo5 h PRO 107 CO 0.12 0.29 -0.52 -0.24 -0.21 0.00 0.00 178.00 177.43 2oo5 h VAL 108 N 0.45 1.31 -0.04 3.15 3.04 -1.94 -1.16 116.25 121.07 2oo5 h VAL 108 Ca 0.65 -1.75 -0.00 0.00 -1.01 0.00 0.00 66.70 64.59 2oo5 h VAL 108 Cb 1.32 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 2oo5 h VAL 108 CO -0.53 0.55 0.01 0.58 -1.01 0.00 0.00 177.57 177.17 2oo5 h VAL 109 N 0.48 1.13 0.00 1.51 2.07 -0.78 0.28 116.25 120.93 2oo5 h VAL 109 Ca 0.02 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2oo5 h VAL 109 Cb 1.07 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2oo5 h VAL 109 CO 0.10 0.11 -0.15 1.05 0.02 0.00 0.00 177.57 178.70 2oo5 h GLU 110 N -0.10 0.00 -0.18 1.57 4.11 -0.77 -1.24 114.58 117.98 2oo5 h GLU 110 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.27 2oo5 h GLU 110 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2oo5 h GLU 110 CO -0.00 0.15 -0.59 0.00 0.07 0.00 0.00 179.01 178.64 2oo5 h ALA 111 N 1.85 0.63 -0.01 1.06 0.00 -1.00 -3.01 119.26 118.79 2oo5 h ALA 111 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 2oo5 h ALA 111 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2oo5 h ALA 111 CO 0.02 0.70 -0.53 -0.07 0.00 0.00 0.00 179.25 179.37 2oo5 h LEU 112 N 0.44 0.05 -0.27 0.00 3.38 -0.52 -3.20 115.31 115.18 2oo5 h LEU 112 Ca -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2oo5 h LEU 112 Cb 1.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2oo5 h LEU 112 CO 0.11 0.57 0.09 0.71 0.09 0.00 0.00 178.44 180.01 2oo5 h THR 113 N 0.03 1.19 -0.95 0.22 1.35 -1.25 -1.56 112.91 111.95 2oo5 h THR 113 Ca -0.00 -0.62 0.22 0.00 -0.55 0.00 0.00 66.41 65.46 2oo5 h THR 113 Cb 0.95 1.10 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 2oo5 h THR 113 CO 0.07 0.20 0.62 0.11 -0.25 0.00 0.00 175.52 176.28 2oo5 h LYS 114 N 0.27 0.40 -0.41 4.72 1.57 -1.52 0.36 116.57 121.96 2oo5 h LYS 114 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oo5 h LYS 114 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2oo5 h LYS 114 CO -0.00 0.26 0.00 0.54 -0.57 0.00 0.00 179.45 179.68 2oo5 n ARG 115 N -4.54 2.12 -2.90 3.15 1.74 -1.19 -4.96 116.66 110.08 2oo5 n ARG 115 Ca 0.21 -1.73 -0.21 0.00 -0.77 0.00 0.00 57.85 55.36 2oo5 n ARG 115 Cb 0.75 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.91 -3.53 -2.89 5.56 5.02 0.13 -2.41 118.16 120.95 2oo5 n LYS 116 Ca 0.17 0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 56.81 2oo5 n LYS 116 Cb 0.43 -5.51 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 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 -2.99 4.92 -0.89 -0.18 1.01 -0.61 -3.72 121.20 118.73 2oo5 s ILE 117 Ca 0.22 1.68 -0.23 0.00 0.00 0.00 0.00 60.65 62.32 2oo5 s ILE 117 Cb -0.11 -4.15 0.06 0.00 0.01 0.00 0.00 42.46 38.27 2oo5 s ILE 117 CO 0.28 0.12 1.30 -0.89 0.00 0.00 0.00 174.94 175.74 2oo5 s THR 118 N 1.54 4.05 0.01 2.92 2.01 -0.09 -4.50 115.64 121.58 2oo5 s THR 118 Ca 0.41 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 2oo5 s THR 118 Cb -0.18 -4.94 -0.06 0.00 0.01 0.00 0.00 72.50 67.34 2oo5 s THR 118 CO 0.17 -1.79 0.56 0.00 -0.69 0.00 0.00 174.62 172.87 2oo5 s ALA 119 N 4.70 3.54 -0.31 7.40 0.00 -1.04 -2.00 121.76 134.05 2oo5 s ALA 119 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2oo5 s ALA 119 Cb -0.05 -2.67 0.06 0.00 0.00 0.00 0.00 23.12 20.46 2oo5 s ALA 119 CO -0.01 0.26 0.01 0.71 0.00 0.00 0.00 175.76 176.72 2oo5 s TYR 120 N -0.51 3.30 -0.78 0.00 1.51 0.82 -2.32 117.35 119.37 2oo5 s TYR 120 Ca 0.29 -1.97 -0.26 0.00 -1.01 0.00 0.00 57.07 54.13 2oo5 s TYR 120 Cb -0.18 -2.19 0.04 0.00 -0.11 0.00 0.00 41.96 39.52 2oo5 s TYR 120 CO 0.17 -0.82 1.27 0.00 -1.11 0.00 0.00 175.55 175.05 2oo5 s ALA 121 N 1.23 2.80 0.47 3.71 0.00 -0.62 -2.93 121.76 126.40 2oo5 s ALA 121 Ca -0.04 -1.59 0.31 0.00 0.00 0.00 0.00 51.96 50.63 2oo5 s ALA 121 Cb -0.20 -4.26 1.66 0.00 0.00 0.00 0.00 23.12 20.32 2oo5 s ALA 121 CO -0.02 -3.28 2.15 0.52 0.00 0.00 0.00 175.76 175.13 2oo5 h MET 122 N 9.92 0.00 0.00 0.00 2.86 -1.44 -1.71 114.93 124.56 2oo5 h MET 122 Ca -0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2oo5 h MET 122 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2oo5 h MET 122 CO 1.29 0.07 0.00 1.05 1.06 0.00 0.00 176.91 180.38 2oo5 h GLU 123 N 0.00 0.00 -0.70 1.72 9.09 -1.91 -3.01 114.58 119.77 2oo5 h GLU 123 Ca -0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2oo5 h GLU 123 Cb 0.23 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.25 2oo5 h GLU 123 CO 0.01 0.00 0.16 1.28 0.05 0.00 0.00 179.01 180.51 2oo5 n LEU 124 N -2.82 5.81 -4.70 3.06 4.77 -0.64 -4.91 117.00 117.56 2oo5 n LEU 124 Ca -0.00 -2.99 -0.43 0.00 -0.03 0.00 0.00 56.01 52.56 2oo5 n LEU 124 Cb 0.19 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 2oo5 n LEU 124 CO 0.22 0.72 1.40 0.80 -1.33 0.00 0.00 177.39 179.19 2oo5 n MET 125 N 0.17 2.72 -1.93 3.23 1.56 -1.14 -4.28 117.12 117.45 2oo5 n MET 125 Ca 0.34 0.98 -0.37 0.00 -0.27 0.00 0.00 57.70 58.39 2oo5 n MET 125 Cb 1.28 -2.84 0.04 0.00 2.15 0.00 0.00 33.22 33.85 2oo5 n MET 125 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2oo5 s PRO 126 N 1.77 3.02 -1.31 2.12 0.02 -1.26 -4.89 135.00 134.48 2oo5 s PRO 126 Ca 0.78 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 63.63 2oo5 s PRO 126 Cb -0.52 -2.06 0.09 0.00 0.02 0.00 0.00 34.50 32.04 2oo5 s PRO 126 CO 0.35 -1.21 1.78 0.54 -0.33 0.00 0.00 177.00 178.14 2oo5 n ARG 127 N -1.37 3.20 -4.29 5.54 5.12 -1.26 -4.79 116.66 118.80 2oo5 n ARG 127 Ca 0.12 -3.28 -0.18 0.00 -1.93 0.00 0.00 57.85 52.59 2oo5 n ARG 127 Cb 0.48 -3.33 -0.14 0.00 -1.16 0.00 0.00 32.46 28.31 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 3.25 0.67 0.19 0.55 -4.36 -1.26 -4.81 121.20 115.42 2oo5 s ILE 128 Ca 0.50 -0.47 -0.16 0.00 -0.26 0.00 0.00 60.65 60.25 2oo5 s ILE 128 Cb 0.05 -0.58 0.19 0.00 1.25 0.00 0.00 42.46 43.37 2oo5 s ILE 128 CO 0.03 0.11 1.34 -1.20 0.24 0.00 0.00 174.94 175.46 2oo5 n SER 129 N 2.66 -0.59 0.24 4.36 7.64 -1.26 -0.38 113.62 126.29 2oo5 n SER 129 Ca -0.15 1.51 0.16 0.00 1.01 0.00 0.00 58.87 61.41 2oo5 n SER 129 Cb 0.57 -0.33 0.72 0.00 -1.01 0.00 0.00 64.21 64.15 2oo5 n SER 129 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2oo5 h ARG 130 N 0.00 0.00 -0.56 1.43 0.11 -1.97 -2.41 114.38 110.98 2oo5 h ARG 130 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 2oo5 h ARG 130 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2oo5 h ARG 130 CO -0.85 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.22 2oo5 n ALA 131 N -1.98 2.59 -0.01 0.08 0.00 0.49 -4.38 120.51 117.30 2oo5 n ALA 131 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 2oo5 n ALA 131 Cb 0.22 -0.98 0.24 0.00 0.00 0.00 0.00 19.45 18.93 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 3.11 0.55 0.00 0.00 4.20 -1.42 -2.68 115.11 118.86 2oo5 h GLN 132 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2oo5 h GLN 132 Cb 0.86 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2oo5 h GLN 132 CO 0.06 0.65 0.00 -1.13 -0.67 0.00 0.00 178.83 177.73 2oo5 n SER 133 N -4.21 0.50 -0.72 1.46 3.41 -1.26 -3.36 113.62 109.45 2oo5 n SER 133 Ca 0.01 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 2oo5 n SER 133 Cb 0.31 -0.70 0.07 0.00 -0.26 0.00 0.00 64.21 63.63 2oo5 n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2oo5 n MET 134 N -2.00 1.66 -3.16 4.33 2.81 -1.02 -4.20 117.12 115.54 2oo5 n MET 134 Ca 0.04 -1.53 -0.43 0.00 -1.81 0.00 0.00 57.70 53.98 2oo5 n MET 134 Cb 0.31 -1.37 -0.07 0.00 -0.71 0.00 0.00 33.22 31.38 2oo5 n MET 134 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2oo5 s ASP 135 N -1.69 6.29 0.23 7.83 2.15 -1.14 -4.72 116.67 125.62 2oo5 s ASP 135 Ca 0.21 -0.44 0.04 0.00 0.43 0.00 0.00 52.55 52.79 2oo5 s ASP 135 Cb 0.16 -2.30 0.24 0.00 -0.30 0.00 0.00 42.92 40.72 2oo5 s ASP 135 CO 0.28 -0.74 1.56 0.16 -0.17 0.00 0.00 175.17 176.26 2oo5 h ILE 136 N 5.85 1.37 -0.89 4.11 3.07 -1.92 -2.75 117.51 126.35 2oo5 h ILE 136 Ca -0.26 -1.93 0.02 0.00 1.55 0.00 0.00 64.86 64.24 2oo5 h ILE 136 Cb 1.10 1.96 -0.05 0.00 -0.27 0.00 0.00 36.82 39.56 2oo5 h ILE 136 CO 0.88 0.57 0.59 -0.07 -1.05 0.00 0.00 178.15 179.07 2oo5 h LEU 137 N 0.21 1.00 -0.04 0.16 3.38 -1.91 -2.30 115.31 115.81 2oo5 h LEU 137 Ca -0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2oo5 h LEU 137 Cb 1.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2oo5 h LEU 137 CO 0.09 0.71 -0.26 -1.28 0.09 0.00 0.00 178.44 177.80 2oo5 h SER 138 N 1.18 0.30 -0.62 -0.43 0.87 -1.93 -0.88 113.55 112.03 2oo5 h SER 138 Ca 0.34 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 2oo5 h SER 138 Cb -0.09 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2oo5 h SER 138 CO -0.09 0.93 0.36 0.77 -0.53 0.00 0.00 176.83 178.28 2oo5 h SER 139 N -0.31 0.76 0.04 6.23 4.64 -1.50 -2.73 113.55 120.68 2oo5 h SER 139 Ca -0.02 -0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 60.99 2oo5 h SER 139 Cb 0.93 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2oo5 h SER 139 CO 0.05 0.61 -0.95 1.56 -0.87 0.00 0.00 176.83 177.23 2oo5 h GLN 140 N 0.84 0.56 0.00 4.77 1.08 -1.45 -3.26 115.11 117.66 2oo5 h GLN 140 Ca 0.22 -0.67 -0.05 0.00 -1.45 0.00 0.00 58.65 56.70 2oo5 h GLN 140 Cb 0.00 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2oo5 h GLN 140 CO -0.04 1.27 -0.24 0.66 -0.95 0.00 0.00 178.83 179.53 2oo5 h SER 141 N 0.15 0.00 -0.31 1.46 4.64 -1.20 -1.57 113.55 116.72 2oo5 h SER 141 Ca -0.13 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2oo5 h SER 141 Cb 1.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 2oo5 h SER 141 CO 0.18 0.24 0.17 -1.13 -0.87 0.00 0.00 176.83 175.43 2oo5 h ASN 142 N 0.00 0.27 0.16 4.97 -1.24 -1.52 0.03 115.58 118.25 2oo5 h ASN 142 Ca -0.00 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2oo5 h ASN 142 Cb 0.47 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2oo5 h ASN 142 CO 0.03 0.20 -0.40 -0.07 -1.29 0.00 0.00 177.43 175.90 2oo5 h LEU 143 N 0.35 0.33 -0.98 0.34 3.38 -1.53 -2.94 115.31 114.27 2oo5 h LEU 143 Ca 0.12 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2oo5 h LEU 143 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2oo5 h LEU 143 CO -0.07 0.70 0.01 0.00 0.09 0.00 0.00 178.44 179.17 2oo5 h ALA 144 N 1.31 1.16 -0.06 1.53 0.00 -0.94 -0.82 119.26 121.44 2oo5 h ALA 144 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2oo5 h ALA 144 Cb 0.83 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2oo5 h ALA 144 CO 0.07 0.55 0.04 0.78 0.00 0.00 0.00 179.25 180.68 2oo5 h GLY 145 N 0.95 0.09 0.45 0.00 0.00 -0.83 0.53 103.07 104.26 2oo5 h GLY 145 Ca 0.14 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.49 2oo5 h GLY 145 CO 0.02 0.03 -0.04 -1.82 0.00 0.00 0.00 176.54 174.73 2oo5 h TYR 146 N 0.07 -0.10 -0.33 5.60 3.20 -1.44 -3.13 116.97 120.84 2oo5 h TYR 146 Ca 0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2oo5 h TYR 146 Cb 0.01 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2oo5 h TYR 146 CO -0.07 -0.10 -0.05 -0.09 -1.64 0.00 0.00 178.16 176.21 2oo5 h ARG 147 N 0.03 0.53 -0.82 1.82 9.65 -0.83 -2.41 114.38 122.36 2oo5 h ARG 147 Ca 0.15 -0.13 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 2oo5 h ARG 147 Cb 0.21 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.67 2oo5 h ARG 147 CO -0.28 0.60 0.53 0.00 2.80 0.00 0.00 179.97 183.61 2oo5 h ALA 148 N 1.45 1.71 -0.34 2.80 0.00 -0.84 -0.51 119.26 123.53 2oo5 h ALA 148 Ca 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2oo5 h ALA 148 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oo5 h ALA 148 CO 0.02 0.14 -0.25 0.28 0.00 0.00 0.00 179.25 179.43 2oo5 h VAL 149 N 0.79 1.29 -0.32 0.00 2.07 -1.48 -1.29 116.25 117.31 2oo5 h VAL 149 Ca 0.37 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 2oo5 h VAL 149 Cb 0.39 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2oo5 h VAL 149 CO -0.14 0.46 0.03 0.40 0.02 0.00 0.00 177.57 178.34 2oo5 h ILE 150 N 0.54 1.25 -0.94 4.57 1.08 -1.31 0.33 117.51 123.03 2oo5 h ILE 150 Ca 0.06 -0.88 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2oo5 h ILE 150 Cb 0.82 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.71 2oo5 h ILE 150 CO 0.07 0.29 0.58 0.44 -0.69 0.00 0.00 178.15 178.83 2oo5 h ASP 151 N 0.37 1.12 0.26 1.72 3.32 -1.16 0.21 116.42 122.26 2oo5 h ASP 151 Ca 0.10 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2oo5 h ASP 151 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2oo5 h ASP 151 CO 0.01 0.85 -0.18 1.23 -1.72 0.00 0.00 179.24 179.43 2oo5 h GLY 152 N 1.30 -0.44 1.85 2.75 0.00 -0.79 -1.40 103.07 106.32 2oo5 h GLY 152 Ca 0.34 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 2oo5 h GLY 152 CO -0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 176.54 176.23 2oo5 h ALA 153 N 0.28 1.65 -0.07 3.60 0.00 -0.80 -0.46 119.26 123.45 2oo5 h ALA 153 Ca -0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2oo5 h ALA 153 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2oo5 h ALA 153 CO 0.01 0.26 -0.58 -0.92 0.00 0.00 0.00 179.25 178.02 2oo5 h TYR 154 N 0.19 0.28 0.00 0.00 3.20 -0.68 -3.22 116.97 116.75 2oo5 h TYR 154 Ca 0.04 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2oo5 h TYR 154 Cb 0.25 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2oo5 h TYR 154 CO 0.00 0.75 -1.16 0.39 -1.64 0.00 0.00 178.16 176.51 2oo5 n GLU 155 N -3.89 0.61 -2.77 1.82 -0.58 -0.55 -4.90 120.64 110.39 2oo5 n GLU 155 Ca -0.02 0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 2oo5 n GLU 155 Cb 0.60 -1.79 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 2oo5 n GLU 155 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2oo5 s PHE 156 N -3.36 3.84 -0.36 -0.32 5.36 -0.20 -4.97 117.98 117.97 2oo5 s PHE 156 Ca -0.02 1.78 0.09 0.00 -0.96 0.00 0.00 56.93 57.82 2oo5 s PHE 156 Cb 0.10 -3.01 0.66 0.00 -0.34 0.00 0.00 43.02 40.44 2oo5 s PHE 156 CO 0.81 0.27 1.66 0.00 -1.46 0.00 0.00 175.22 176.49 2oo5 n ALA 157 N 2.54 4.24 -2.25 11.12 0.00 -1.26 -4.88 120.51 130.01 2oo5 n ALA 157 Ca 0.01 -1.96 -0.14 0.00 0.00 0.00 0.00 53.44 51.35 2oo5 n ALA 157 Cb 0.49 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.64 1.08 0.63 0.00 0.52 -1.26 -5.16 118.95 112.12 2oo5 s ARG 158 Ca 0.48 -1.48 -0.12 0.00 -0.52 0.00 0.00 55.73 54.08 2oo5 s ARG 158 Cb 0.38 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 35.32 2oo5 s ARG 158 CO 0.12 0.00 1.04 0.00 0.02 0.00 0.00 175.30 176.48 2oo5 s ALA 159 N -3.44 2.87 -0.10 2.13 0.00 -1.26 -5.03 121.76 116.93 2oo5 s ALA 159 Ca 0.19 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 2oo5 s ALA 159 Cb 0.04 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.90 2oo5 s ALA 159 CO 0.02 -0.86 0.42 0.74 0.00 0.00 0.00 175.76 176.07 2oo5 h PHE 160 N -0.21 -0.05 -4.20 0.00 -1.00 -1.90 -3.36 116.94 106.23 2oo5 h PHE 160 Ca -0.45 -0.00 -0.50 0.00 2.81 0.00 0.00 57.97 59.83 2oo5 h PHE 160 Cb 1.20 0.02 0.06 0.00 3.61 0.00 0.00 35.95 40.84 2oo5 h PHE 160 CO 0.63 0.36 0.35 -1.25 -1.61 0.00 0.00 178.31 176.79 2oo5 s PRO 161 N -2.13 3.44 0.11 1.51 0.04 -1.12 -0.92 135.00 135.94 2oo5 s PRO 161 Ca -0.09 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.22 2oo5 s PRO 161 Cb -0.01 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 2oo5 s PRO 161 CO 0.31 -0.58 1.15 1.41 0.04 0.00 0.00 177.00 179.33 2oo5 s MET 162 N -5.12 4.51 -0.15 4.56 1.75 -1.26 -4.42 119.30 119.17 2oo5 s MET 162 Ca 0.54 1.74 -0.04 0.00 -1.25 0.00 0.00 55.69 56.67 2oo5 s MET 162 Cb -0.11 -3.32 0.06 0.00 2.84 0.00 0.00 34.83 34.31 2oo5 s MET 162 CO 0.52 -0.10 0.13 -1.64 -0.65 0.00 0.00 175.02 173.27 2oo5 s MET 163 N 0.40 0.07 -0.32 4.11 -1.94 -0.74 -4.98 119.30 115.91 2oo5 s MET 163 Ca 0.54 0.14 -0.29 0.00 -1.71 0.00 0.00 55.69 54.38 2oo5 s MET 163 Cb -0.29 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.28 2oo5 s MET 163 CO 0.32 -0.57 1.30 -1.64 -0.01 0.00 0.00 175.02 174.42 2oo5 s MET 164 N 2.21 3.88 0.17 2.03 -1.94 -1.26 -0.79 119.30 123.60 2oo5 s MET 164 Ca 0.04 1.19 0.08 0.00 -1.71 0.00 0.00 55.69 55.29 2oo5 s MET 164 Cb -0.15 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.76 2oo5 s MET 164 CO -0.09 -1.17 -0.17 0.99 -0.01 0.00 0.00 175.02 174.57 2oo5 s THR 165 N 4.47 1.79 0.23 2.05 2.01 -1.08 -5.00 115.64 120.12 2oo5 s THR 165 Ca 0.56 -1.97 0.34 0.00 0.31 0.00 0.00 61.69 60.94 2oo5 s THR 165 Cb -0.16 -1.87 0.38 0.00 0.01 0.00 0.00 72.50 70.86 2oo5 s THR 165 CO 0.24 -0.37 2.04 0.00 -0.69 0.00 0.00 174.62 175.84 2oo5 h ALA 166 N 3.13 1.03 -0.00 7.40 0.00 -2.03 -1.74 119.26 127.04 2oo5 h ALA 166 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2oo5 h ALA 166 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2oo5 h ALA 166 CO 0.53 0.05 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 2oo5 n ALA 167 N -2.12 2.74 0.00 0.00 0.00 -1.26 -5.02 120.51 114.84 2oo5 n ALA 167 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2oo5 n ALA 167 Cb 0.27 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2oo5 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oo5 n GLY 168 N 1.23 4.12 3.66 0.00 0.00 -0.65 -5.06 105.19 108.49 2oo5 n GLY 168 Ca 0.16 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.24 4.46 -0.25 2.61 2.01 -1.26 -2.63 115.64 118.34 2oo5 s THR 169 Ca 0.00 1.76 -0.24 0.00 0.31 0.00 0.00 61.69 63.52 2oo5 s THR 169 Cb 0.00 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 2oo5 s THR 169 CO 0.00 -0.15 0.82 -0.69 -0.69 0.00 0.00 174.62 173.91 2oo5 s VAL 170 N 3.32 4.83 0.51 3.82 1.01 0.03 -4.97 120.40 128.96 2oo5 s VAL 170 Ca 0.50 1.53 -0.09 0.00 0.00 0.00 0.00 61.98 63.92 2oo5 s VAL 170 Cb -0.19 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2oo5 s VAL 170 CO 0.11 -0.09 0.87 -2.16 0.00 0.00 0.00 175.10 173.84 2oo5 s PRO 171 N 2.85 3.65 0.37 2.72 0.04 -1.26 -1.79 135.00 141.59 2oo5 s PRO 171 Ca 0.35 0.50 -0.26 0.00 0.04 0.00 0.00 61.00 61.62 2oo5 s PRO 171 Cb -0.15 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 2oo5 s PRO 171 CO 0.08 -0.28 1.15 -1.25 0.04 0.00 0.00 177.00 176.74 2oo5 s PRO 172 N -4.60 4.22 0.25 0.56 0.04 -1.26 -4.59 135.00 129.61 2oo5 s PRO 172 Ca 0.52 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 2oo5 s PRO 172 Cb -0.10 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 2oo5 s PRO 172 CO 0.43 -0.17 1.27 0.00 0.04 0.00 0.00 177.00 178.57 2oo5 s ALA 173 N -1.38 3.49 -0.38 8.56 0.00 -0.10 -4.80 121.76 127.16 2oo5 s ALA 173 Ca 0.54 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 2oo5 s ALA 173 Cb -0.30 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2oo5 s ALA 173 CO 0.39 -0.49 0.41 1.03 0.00 0.00 0.00 175.76 177.09 2oo5 s ARG 174 N -0.85 3.33 -0.09 0.00 0.52 -1.26 -1.91 118.95 118.69 2oo5 s ARG 174 Ca 0.52 -0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 55.10 2oo5 s ARG 174 Cb -0.36 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.18 2oo5 s ARG 174 CO 0.43 -0.69 0.13 0.08 0.02 0.00 0.00 175.30 175.27 2oo5 s VAL 175 N 2.09 5.36 -0.19 3.52 1.01 0.25 0.43 120.40 132.88 2oo5 s VAL 175 Ca 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2oo5 s VAL 175 Cb -0.17 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 32.90 2oo5 s VAL 175 CO 0.13 0.55 -0.02 -0.22 0.00 0.00 0.00 175.10 175.53 2oo5 s LEU 176 N -1.22 1.66 -0.13 3.92 0.20 -0.10 -0.83 118.68 122.18 2oo5 s LEU 176 Ca 0.17 -0.80 -0.14 0.00 0.69 0.00 0.00 54.13 54.05 2oo5 s LEU 176 Cb -0.12 -0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 44.73 2oo5 s LEU 176 CO 0.07 -0.23 0.32 0.68 -0.29 0.00 0.00 176.35 176.90 2oo5 s VAL 177 N 1.66 5.27 -0.25 1.68 -7.23 -0.82 -1.50 120.40 119.21 2oo5 s VAL 177 Ca -0.01 0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 60.68 2oo5 s VAL 177 Cb -0.16 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 2oo5 s VAL 177 CO -0.07 0.42 0.12 -0.36 -0.31 0.00 0.00 175.10 174.90 2oo5 s PHE 178 N 0.21 3.18 0.00 2.82 0.40 0.99 -2.82 117.98 122.76 2oo5 s PHE 178 Ca 0.18 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 2oo5 s PHE 178 Cb -0.14 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.12 2oo5 s PHE 178 CO 0.06 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.22 2oo5 n GLY 179 N 4.72 -1.52 2.78 4.36 0.00 -0.66 -0.28 105.19 114.60 2oo5 n GLY 179 Ca -0.15 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 1.01 4.67 -0.37 1.61 0.31 -1.25 -4.04 118.33 120.28 2oo5 n VAL 180 Ca 0.00 -5.77 0.00 0.00 -0.01 0.00 0.00 64.34 58.56 2oo5 n VAL 180 Cb 0.00 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 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 0.68 1.37 0.27 2.92 0.00 -1.26 -4.68 105.19 104.49 2oo5 n GLY 181 Ca 0.33 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 1.27 -0.27 1.61 2.07 -1.93 -2.22 116.25 116.78 2oo5 h VAL 182 Ca 0.00 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 2oo5 h VAL 182 Cb 0.00 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2oo5 h VAL 182 CO 0.00 0.46 -0.11 0.00 0.02 0.00 0.00 177.57 177.95 2oo5 h ALA 183 N 0.84 0.37 -0.59 1.67 0.00 -1.89 -3.15 119.26 116.53 2oo5 h ALA 183 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oo5 h ALA 183 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2oo5 h ALA 183 CO 0.06 0.22 0.38 0.78 0.00 0.00 0.00 179.25 180.70 2oo5 h GLY 184 N 0.29 0.83 1.31 0.00 0.00 -1.69 -1.34 103.07 102.47 2oo5 h GLY 184 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2oo5 h GLY 184 CO 0.03 0.31 0.24 1.41 0.00 0.00 0.00 176.54 178.54 2oo5 h LEU 185 N 0.79 0.81 -0.39 3.11 3.38 -1.47 -0.84 115.31 120.70 2oo5 h LEU 185 Ca 0.21 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 2oo5 h LEU 185 Cb -0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2oo5 h LEU 185 CO -0.04 0.73 -0.79 -0.61 0.09 0.00 0.00 178.44 177.81 2oo5 h GLN 186 N 0.87 0.23 -0.71 1.13 5.75 -1.47 -1.79 115.11 119.13 2oo5 h GLN 186 Ca 0.21 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2oo5 h GLN 186 Cb 0.17 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2oo5 h GLN 186 CO -0.02 0.91 0.22 0.00 -2.65 0.00 0.00 178.83 177.29 2oo5 h ALA 187 N 1.02 0.93 0.18 3.38 0.00 -0.87 0.13 119.26 124.04 2oo5 h ALA 187 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2oo5 h ALA 187 Cb 1.38 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2oo5 h ALA 187 CO 0.12 0.61 -0.09 0.82 0.00 0.00 0.00 179.25 180.72 2oo5 h ILE 188 N 1.05 0.88 -0.71 0.00 2.04 -1.12 -0.64 117.51 119.00 2oo5 h ILE 188 Ca 0.23 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2oo5 h ILE 188 Cb 0.30 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 2oo5 h ILE 188 CO -0.01 0.06 0.41 0.00 0.00 0.00 0.00 178.15 178.61 2oo5 h ALA 189 N 0.42 0.97 -0.18 1.87 0.00 -1.19 0.22 119.26 121.36 2oo5 h ALA 189 Ca -0.03 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2oo5 h ALA 189 Cb 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2oo5 h ALA 189 CO 0.04 0.09 -0.57 1.15 0.00 0.00 0.00 179.25 179.96 2oo5 h THR 190 N 0.74 1.31 -0.67 0.00 2.02 -0.95 -0.06 112.91 115.29 2oo5 h THR 190 Ca 0.32 -1.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 2oo5 h THR 190 Cb 0.20 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2oo5 h THR 190 CO -0.19 0.57 0.29 0.00 0.37 0.00 0.00 175.52 176.56 2oo5 h ALA 191 N 0.57 0.87 -0.13 6.16 0.00 -0.85 -1.49 119.26 124.38 2oo5 h ALA 191 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2oo5 h ALA 191 Cb 1.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2oo5 h ALA 191 CO 0.12 0.46 -0.34 -0.22 0.00 0.00 0.00 179.25 179.27 2oo5 h LYS 192 N 0.94 0.26 -0.20 0.00 1.63 -0.56 -1.45 116.57 117.19 2oo5 h LYS 192 Ca 0.23 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2oo5 h LYS 192 Cb 0.17 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2oo5 h LYS 192 CO -0.02 0.58 0.13 0.00 -3.45 0.00 0.00 179.45 176.69 2oo5 h ARG 193 N 0.23 0.27 0.00 1.90 3.08 -0.69 -3.02 114.38 116.15 2oo5 h ARG 193 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2oo5 h ARG 193 Cb 0.72 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2oo5 h ARG 193 CO 0.05 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.41 2oo5 n LEU 194 N -4.95 0.00 0.00 3.04 4.77 -0.59 -4.88 117.00 114.40 2oo5 n LEU 194 Ca -0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2oo5 n LEU 194 Cb 0.03 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2oo5 n LEU 194 CO 0.34 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2oo5 n GLY 195 N 0.48 1.00 3.81 -0.72 0.00 -0.98 -2.77 105.19 106.00 2oo5 n GLY 195 Ca 0.12 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 2.96 -0.07 4.61 0.00 -0.58 -4.27 121.76 122.42 2oo5 s ALA 196 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 2oo5 s ALA 196 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2oo5 s ALA 196 CO 0.00 -0.13 0.98 0.08 0.00 0.00 0.00 175.76 176.69 2oo5 s VAL 197 N -2.17 4.83 -0.18 0.00 1.01 -0.80 -4.45 120.40 118.65 2oo5 s VAL 197 Ca 0.64 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.63 2oo5 s VAL 197 Cb -0.12 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2oo5 s VAL 197 CO 0.19 0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.49 2oo5 s VAL 198 N 1.59 2.27 0.20 2.92 1.01 -1.26 -0.58 120.40 126.55 2oo5 s VAL 198 Ca 0.49 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.64 2oo5 s VAL 198 Cb -0.19 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2oo5 s VAL 198 CO 0.21 0.53 0.24 -0.04 0.00 0.00 0.00 175.10 176.04 2oo5 s MET 199 N 1.18 3.15 0.14 2.72 -1.94 -0.01 -2.02 119.30 122.52 2oo5 s MET 199 Ca 0.02 -0.84 -0.16 0.00 -1.71 0.00 0.00 55.69 53.00 2oo5 s MET 199 Cb -0.14 -2.75 0.03 0.00 2.01 0.00 0.00 34.83 33.98 2oo5 s MET 199 CO -0.09 0.46 0.41 0.00 -0.01 0.00 0.00 175.02 175.79 2oo5 s ALA 200 N -1.91 -0.87 0.06 3.03 0.00 -0.75 -1.95 121.76 119.36 2oo5 s ALA 200 Ca 0.33 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 2oo5 s ALA 200 Cb -0.09 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2oo5 s ALA 200 CO 0.26 -0.67 0.40 -0.08 0.00 0.00 0.00 175.76 175.67 2oo5 s THR 201 N -3.83 0.06 -0.06 0.00 -1.32 -1.13 -0.55 115.64 108.82 2oo5 s THR 201 Ca 0.05 -0.51 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 2oo5 s THR 201 Cb 0.01 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.12 2oo5 s THR 201 CO -0.10 -0.28 0.93 -0.62 -2.21 0.00 0.00 174.62 172.34 2oo5 s ASP 202 N -2.18 -0.36 0.12 8.08 -1.08 -1.26 -1.65 116.67 118.34 2oo5 s ASP 202 Ca -0.03 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.15 2oo5 s ASP 202 Cb -0.00 0.35 -0.16 0.00 -1.46 0.00 0.00 42.92 41.65 2oo5 s ASP 202 CO -0.04 -0.51 1.26 -0.37 0.52 0.00 0.00 175.17 176.03 2oo5 h VAL 203 N 2.20 1.55 -3.43 1.11 -1.51 -1.98 -3.46 116.25 110.73 2oo5 h VAL 203 Ca -0.20 -2.98 -0.53 0.00 -1.23 0.00 0.00 66.70 61.76 2oo5 h VAL 203 Cb 1.21 2.74 -0.01 0.00 -2.13 0.00 0.00 31.29 33.10 2oo5 h VAL 203 CO 0.31 0.86 0.45 -0.13 -1.23 0.00 0.00 177.57 177.83 2oo5 s ARG 204 N -2.88 4.56 0.36 5.19 0.52 -1.26 -4.43 118.95 121.00 2oo5 s ARG 204 Ca -0.02 1.60 0.12 0.00 -0.52 0.00 0.00 55.73 56.91 2oo5 s ARG 204 Cb 0.09 -3.36 0.66 0.00 0.52 0.00 0.00 34.95 32.86 2oo5 s ARG 204 CO 0.85 -0.02 1.79 0.00 0.02 0.00 0.00 175.30 177.94 2oo5 h ALA 205 N 6.08 1.32 0.00 2.13 0.00 -1.87 -3.10 119.26 123.82 2oo5 h ALA 205 Ca -0.42 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2oo5 h ALA 205 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2oo5 h ALA 205 CO 0.75 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 180.46 2oo5 h ALA 206 N 1.59 1.07 0.00 0.00 0.00 -1.92 -3.15 119.26 116.84 2oo5 h ALA 206 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2oo5 h ALA 206 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2oo5 h ALA 206 CO 0.05 0.08 -0.19 1.79 0.00 0.00 0.00 179.25 180.99 2oo5 h THR 207 N 0.00 0.42 -0.74 0.00 1.35 -1.91 -3.24 112.91 108.79 2oo5 h THR 207 Ca -0.00 -1.10 0.03 0.00 -0.55 0.00 0.00 66.41 64.79 2oo5 h THR 207 Cb 0.40 1.81 -0.04 0.00 -1.73 0.00 0.00 68.15 68.58 2oo5 h THR 207 CO 0.01 0.18 0.47 0.50 -0.25 0.00 0.00 175.52 176.43 2oo5 h LYS 208 N 0.00 0.90 -0.57 4.72 3.64 -1.75 0.58 116.57 124.09 2oo5 h LYS 208 Ca -0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2oo5 h LYS 208 Cb 0.79 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2oo5 h LYS 208 CO 0.02 0.60 0.10 1.49 -2.27 0.00 0.00 179.45 179.39 2oo5 h GLU 209 N 0.93 0.91 -0.39 1.90 4.81 -1.79 -2.09 114.58 118.86 2oo5 h GLU 209 Ca 0.29 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 2oo5 h GLU 209 Cb -0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2oo5 h GLU 209 CO -0.10 0.85 -0.21 1.96 -0.73 0.00 0.00 179.01 180.77 2oo5 h GLN 210 N 0.87 0.84 -0.44 1.92 4.20 -1.46 -1.13 115.11 119.90 2oo5 h GLN 210 Ca 0.18 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2oo5 h GLN 210 Cb 0.38 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2oo5 h GLN 210 CO 0.01 1.01 0.22 0.28 -0.67 0.00 0.00 178.83 179.68 2oo5 h VAL 211 N 0.64 1.18 -0.42 -0.54 2.07 -0.86 -3.06 116.25 115.25 2oo5 h VAL 211 Ca 0.08 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 2oo5 h VAL 211 Cb 0.77 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2oo5 h VAL 211 CO 0.06 0.19 -0.18 -0.33 0.02 0.00 0.00 177.57 177.34 2oo5 h GLU 212 N 0.57 0.81 0.00 1.57 5.08 -1.33 -0.27 114.58 121.02 2oo5 h GLU 212 Ca 0.15 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2oo5 h GLU 212 Cb 0.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2oo5 h GLU 212 CO -0.02 0.93 -0.05 0.66 -1.00 0.00 0.00 179.01 179.53 2oo5 h SER 213 N 0.72 0.00 -0.24 1.42 4.64 -1.18 -2.19 113.55 116.72 2oo5 h SER 213 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2oo5 h SER 213 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2oo5 h SER 213 CO 0.05 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 2oo5 n LEU 214 N -3.25 2.05 0.00 5.97 4.77 -1.10 -4.94 117.00 120.50 2oo5 n LEU 214 Ca -0.01 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 2oo5 n LEU 214 Cb 0.23 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2oo5 n LEU 214 CO 0.26 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2oo5 n GLY 215 N 1.20 0.57 3.92 -0.72 0.00 -0.82 -4.88 105.19 104.46 2oo5 n GLY 215 Ca 0.16 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.04 1.66 -0.13 -0.02 0.00 -0.13 -4.78 107.32 101.88 2oo5 s GLY 216 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2oo5 s GLY 216 CO 0.00 -0.47 -0.16 1.25 0.00 0.00 0.00 173.10 173.72 2oo5 s LYS 217 N -5.14 2.39 -0.01 2.90 2.36 -0.86 -3.95 119.74 117.44 2oo5 s LYS 217 Ca 0.58 -0.61 -0.22 0.00 -2.55 0.00 0.00 55.97 53.17 2oo5 s LYS 217 Cb -0.11 -2.08 -0.05 0.00 -1.05 0.00 0.00 37.83 34.54 2oo5 s LYS 217 CO 0.45 -0.14 0.63 0.12 1.55 0.00 0.00 175.35 177.97 2oo5 s PHE 218 N 1.19 3.67 -0.64 4.03 5.36 -1.26 -1.81 117.98 128.52 2oo5 s PHE 218 Ca -0.01 1.24 -0.21 0.00 -0.96 0.00 0.00 56.93 56.98 2oo5 s PHE 218 Cb -0.14 -2.67 0.08 0.00 -0.34 0.00 0.00 43.02 39.95 2oo5 s PHE 218 CO -0.06 0.29 0.88 0.42 -1.46 0.00 0.00 175.22 175.29 2oo5 s ILE 219 N 0.02 4.51 0.45 3.12 1.01 0.29 -4.93 121.20 125.66 2oo5 s ILE 219 Ca 0.33 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 2oo5 s ILE 219 Cb -0.18 -4.62 -0.08 0.00 0.01 0.00 0.00 42.46 37.59 2oo5 s ILE 219 CO 0.18 -1.34 1.09 -0.89 0.00 0.00 0.00 174.94 173.97 2oo5 s THR 220 N 3.55 3.50 0.07 2.92 2.01 -1.26 -4.72 115.64 121.71 2oo5 s THR 220 Ca 0.19 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.25 2oo5 s THR 220 Cb -0.19 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2oo5 s THR 220 CO 0.08 -0.08 0.00 0.55 -0.69 0.00 0.00 174.62 174.49 2oo5 n VAL 221 N -0.55 0.31 -3.15 3.82 3.14 -1.26 -4.99 118.33 115.65 2oo5 n VAL 221 Ca 0.07 0.10 0.03 0.00 -2.96 0.00 0.00 64.34 61.59 2oo5 n VAL 221 Cb 0.50 -1.16 -0.00 0.00 -1.06 0.00 0.00 33.84 32.12 2oo5 n VAL 221 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2oo5 s ASP 222 N -5.25 -1.46 0.55 6.55 2.15 -1.26 -4.96 116.67 112.98 2oo5 s ASP 222 Ca 0.00 -0.14 0.25 0.00 0.43 0.00 0.00 52.55 53.09 2oo5 s ASP 222 Cb 0.00 1.89 1.58 0.00 -0.30 0.00 0.00 42.92 46.09 2oo5 s ASP 222 CO 0.00 -0.23 2.19 0.44 -0.17 0.00 0.00 175.17 177.39 2oo5 h ASP 223 N 7.53 0.00 0.36 -0.34 3.32 -1.98 -2.20 116.42 123.11 2oo5 h ASP 223 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2oo5 h ASP 223 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2oo5 h ASP 223 CO 0.11 0.03 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.15 2oo5 h GLU 224 N 0.00 -0.47 -0.26 3.56 4.39 -2.01 -3.01 114.58 116.78 2oo5 h GLU 224 Ca -0.00 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 2oo5 h GLU 224 Cb 0.07 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2oo5 h GLU 224 CO 0.00 -0.15 -0.22 0.00 -1.16 0.00 0.00 179.01 177.48 2oo5 h ALA 225 N -0.39 1.14 0.00 3.43 0.00 -1.95 -2.86 119.26 118.63 2oo5 h ALA 225 Ca -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2oo5 h ALA 225 Cb 0.53 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2oo5 h ALA 225 CO 0.08 0.54 -0.09 0.52 0.00 0.00 0.00 179.25 180.31 2oo5 h MET 226 N 0.43 0.00 -0.43 0.00 2.86 -1.48 -2.99 114.93 113.32 2oo5 h MET 226 Ca 0.07 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 2oo5 h MET 226 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2oo5 h MET 226 CO 0.04 0.09 -0.28 -0.22 1.06 0.00 0.00 176.91 177.60 2oo5 h LYS 227 N 0.00 0.94 -0.01 1.72 1.63 -1.36 -3.12 116.57 116.37 2oo5 h LYS 227 Ca -0.00 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2oo5 h LYS 227 Cb 0.33 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2oo5 h LYS 227 CO 0.01 1.09 -0.11 2.41 -3.45 0.00 0.00 179.45 179.41 2oo5 n THR 228 N -4.09 0.00 0.72 1.00 -1.04 -1.14 -4.46 114.28 105.27 2oo5 n THR 228 Ca -0.01 -0.16 0.12 0.00 -2.04 0.00 0.00 64.05 61.95 2oo5 n THR 228 Cb 0.49 0.32 0.48 0.00 -1.82 0.00 0.00 70.33 69.79 2oo5 n THR 228 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oo5 n ALA 229 N -0.36 2.05 -2.66 2.41 0.00 -1.16 -4.78 120.51 116.00 2oo5 n ALA 229 Ca 0.16 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 2oo5 n ALA 229 Cb 0.33 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 2oo5 n ALA 229 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2oo5 s GLU 230 N -3.06 4.13 0.70 0.00 2.12 -1.26 -2.60 118.70 118.73 2oo5 s GLU 230 Ca 0.10 0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.65 2oo5 s GLU 230 Cb 0.14 -3.35 0.15 0.00 0.26 0.00 0.00 34.13 31.33 2oo5 s GLU 230 CO 0.45 0.38 0.96 0.25 -0.54 0.00 0.00 175.26 176.75 2oo5 n THR 231 N 2.99 0.00 -0.24 -1.70 -2.24 -0.03 -4.93 114.28 108.13 2oo5 n THR 231 Ca -0.12 -1.08 -0.06 0.00 -2.27 0.00 0.00 64.05 60.52 2oo5 n THR 231 Cb 0.52 -1.26 0.04 0.00 -2.10 0.00 0.00 70.33 67.53 2oo5 n THR 231 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oo5 h ALA 232 N -1.16 0.86 0.00 6.98 0.00 -1.99 -2.73 119.26 121.22 2oo5 h ALA 232 Ca -0.31 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2oo5 h ALA 232 Cb 1.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2oo5 h ALA 232 CO 0.27 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2oo5 n GLY 233 N -0.94 -0.78 1.49 0.00 0.00 -1.26 -4.90 105.19 98.79 2oo5 n GLY 233 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.54 0.85 3.33 -0.02 0.00 -1.03 -4.81 105.19 104.05 2oo5 n GLY 234 Ca 0.17 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 2oo5 n GLY 234 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2oo5 s TYR 235 N -2.69 1.56 0.71 1.61 -0.85 -1.26 -4.89 117.35 111.55 2oo5 s TYR 235 Ca 0.00 -1.28 -0.11 0.00 -0.52 0.00 0.00 57.07 55.16 2oo5 s TYR 235 Cb 0.00 -0.88 0.02 0.00 0.38 0.00 0.00 41.96 41.48 2oo5 s TYR 235 CO 0.00 -0.43 1.07 0.00 -1.52 0.00 0.00 175.55 174.67 2oo5 s ALA 236 N -3.68 2.65 0.44 9.51 0.00 -1.26 -0.85 121.76 128.56 2oo5 s ALA 236 Ca 0.36 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2oo5 s ALA 236 Cb 0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2oo5 s ALA 236 CO 0.15 -1.27 0.05 -1.59 0.00 0.00 0.00 175.76 173.10 2oo5 s LYS 237 N -5.12 1.99 -0.14 0.00 -2.85 -1.07 -4.75 119.74 107.80 2oo5 s LYS 237 Ca 0.58 -2.21 -0.29 0.00 -1.00 0.00 0.00 55.97 53.05 2oo5 s LYS 237 Cb -0.13 -1.19 -0.04 0.00 -2.06 0.00 0.00 37.83 34.41 2oo5 s LYS 237 CO 0.54 -0.31 1.70 -1.21 0.10 0.00 0.00 175.35 176.17 2oo5 s GLU 238 N -3.80 3.92 0.01 1.78 0.41 -1.26 -4.90 118.70 114.85 2oo5 s GLU 238 Ca 0.21 1.96 0.26 0.00 -0.41 0.00 0.00 54.97 56.98 2oo5 s GLU 238 Cb 0.04 -4.05 0.63 0.00 -1.78 0.00 0.00 34.13 28.97 2oo5 s GLU 238 CO 0.11 -1.16 1.50 -1.33 -0.49 0.00 0.00 175.26 173.89 2oo5 n MET 239 N 7.53 0.01 -0.03 1.61 2.81 -1.26 -5.07 117.12 122.72 2oo5 n MET 239 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2oo5 n MET 239 Cb 0.44 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2oo5 n MET 239 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oo5 n GLY 240 N 1.49 -2.23 0.10 3.03 0.00 -1.26 -4.19 105.19 102.13 2oo5 n GLY 240 Ca 0.06 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 2oo5 n GLY 240 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2oo5 h GLU 241 N 0.00 0.21 -0.10 1.61 4.57 -2.00 -3.30 114.58 115.57 2oo5 h GLU 241 Ca 0.00 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.69 2oo5 h GLU 241 Cb 0.02 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2oo5 h GLU 241 CO 0.00 1.14 -0.58 1.49 -1.18 0.00 0.00 179.01 179.88 2oo5 h GLU 242 N 0.07 0.31 -0.37 1.92 4.57 -2.02 -2.91 114.58 116.15 2oo5 h GLU 242 Ca -0.10 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 57.73 2oo5 h GLU 242 Cb 1.87 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.48 2oo5 h GLU 242 CO 0.18 0.81 -0.36 0.35 -1.18 0.00 0.00 179.01 178.81 2oo5 h PHE 243 N 0.24 1.07 -0.89 0.92 3.57 -1.73 -3.16 116.94 116.96 2oo5 h PHE 243 Ca -0.00 -0.32 0.12 0.00 3.53 0.00 0.00 57.97 61.30 2oo5 h PHE 243 Cb 1.09 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 2oo5 h PHE 243 CO 0.03 1.13 0.52 -0.09 -2.23 0.00 0.00 178.31 177.67 2oo5 h ARG 244 N 0.70 0.80 -0.46 1.11 2.43 -1.59 0.15 114.38 117.52 2oo5 h ARG 244 Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2oo5 h ARG 244 Cb 0.95 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2oo5 h ARG 244 CO 0.09 0.53 -0.05 0.87 -1.51 0.00 0.00 179.97 179.90 2oo5 h LYS 245 N 0.82 0.84 -0.47 0.20 1.57 -1.55 0.45 116.57 118.44 2oo5 h LYS 245 Ca 0.45 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2oo5 h LYS 245 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2oo5 h LYS 245 CO -0.28 0.92 -0.04 0.87 -0.57 0.00 0.00 179.45 180.35 2oo5 h LYS 246 N 0.69 0.80 -0.18 3.15 1.57 -1.42 -2.99 116.57 118.19 2oo5 h LYS 246 Ca 0.12 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2oo5 h LYS 246 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2oo5 h LYS 246 CO 0.03 0.84 -0.06 0.37 -0.57 0.00 0.00 179.45 180.06 2oo5 h GLN 247 N 0.74 0.36 -0.80 3.15 4.15 -0.50 -3.07 115.11 119.14 2oo5 h GLN 247 Ca 0.14 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2oo5 h GLN 247 Cb 0.51 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2oo5 h GLN 247 CO 0.03 0.64 0.53 0.00 -1.93 0.00 0.00 178.83 178.09 2oo5 h ALA 248 N 0.71 1.01 -0.45 3.38 0.00 -0.92 -0.70 119.26 122.28 2oo5 h ALA 248 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2oo5 h ALA 248 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2oo5 h ALA 248 CO 0.02 0.42 -0.26 1.49 0.00 0.00 0.00 179.25 180.92 2oo5 h GLU 249 N 1.08 0.97 -0.36 0.00 4.81 -1.59 0.22 114.58 119.70 2oo5 h GLU 249 Ca 0.29 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2oo5 h GLU 249 Cb -0.12 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2oo5 h GLU 249 CO -0.07 1.11 -0.04 0.00 -0.73 0.00 0.00 179.01 179.28 2oo5 h ALA 250 N 0.87 0.49 -0.59 2.92 0.00 -1.43 -3.23 119.26 118.29 2oo5 h ALA 250 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2oo5 h ALA 250 Cb 0.84 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2oo5 h ALA 250 CO 0.07 0.30 0.37 0.28 0.00 0.00 0.00 179.25 180.27 2oo5 h VAL 251 N 0.47 1.17 -0.93 0.00 2.07 -1.02 -3.24 116.25 114.77 2oo5 h VAL 251 Ca 0.10 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.40 2oo5 h VAL 251 Cb 0.52 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 2oo5 h VAL 251 CO 0.03 0.17 0.59 0.25 0.02 0.00 0.00 177.57 178.62 2oo5 h LEU 252 N 0.80 0.78 -1.53 2.57 5.85 -0.96 0.20 115.31 123.02 2oo5 h LEU 252 Ca 0.21 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.06 2oo5 h LEU 252 Cb -0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2oo5 h LEU 252 CO -0.04 0.42 0.43 0.11 -0.34 0.00 0.00 178.44 179.02 2oo5 h LYS 253 N 0.84 0.52 0.03 1.25 1.57 -1.64 -2.04 116.57 117.11 2oo5 h LYS 253 Ca 0.45 -0.03 -0.35 0.00 -1.87 0.00 0.00 60.65 58.85 2oo5 h LYS 253 Cb 0.56 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 2oo5 h LYS 253 CO -0.22 0.35 -2.11 0.39 -0.57 0.00 0.00 179.45 177.29 2oo5 n GLU 254 N -4.48 0.68 -0.12 3.15 -0.58 -0.61 -4.45 120.64 114.23 2oo5 n GLU 254 Ca 0.10 0.19 0.03 0.00 -0.42 0.00 0.00 57.16 57.06 2oo5 n GLU 254 Cb 0.32 -1.65 0.33 0.00 -0.57 0.00 0.00 31.44 29.88 2oo5 n GLU 254 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2oo5 h LEU 255 N 0.02 0.67 -1.62 -4.62 5.85 -0.39 -1.34 115.31 113.89 2oo5 h LEU 255 Ca -0.45 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 2oo5 h LEU 255 Cb 2.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 2oo5 h LEU 255 CO 0.03 0.48 -0.16 -0.37 -0.34 0.00 0.00 178.44 178.08 2oo5 h VAL 256 N 0.79 1.13 0.00 1.05 -1.51 -1.59 -2.44 116.25 113.68 2oo5 h VAL 256 Ca 0.23 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2oo5 h VAL 256 Cb -0.04 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2oo5 h VAL 256 CO -0.05 0.18 -0.43 0.29 -1.23 0.00 0.00 177.57 176.33 2oo5 n LYS 257 N -4.33 0.10 -2.63 5.19 5.02 -0.64 -4.30 118.16 116.58 2oo5 n LYS 257 Ca -0.02 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 2oo5 n LYS 257 Cb 0.24 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.05 3.86 -0.25 -0.18 2.01 -0.60 -4.73 115.64 112.69 2oo5 s THR 258 Ca 0.10 1.83 -0.08 0.00 0.31 0.00 0.00 61.69 63.85 2oo5 s THR 258 Cb 0.16 -4.16 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 2oo5 s THR 258 CO 0.67 0.42 -0.19 0.47 -0.69 0.00 0.00 174.62 175.30 2oo5 n ASP 259 N 1.51 1.97 -4.19 3.53 8.00 0.17 -4.66 116.55 122.89 2oo5 n ASP 259 Ca -0.01 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 2oo5 n ASP 259 Cb 0.46 -0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 40.73 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 -2.50 2.33 -0.31 0.53 -1.09 -1.07 -1.04 121.20 118.05 2oo5 s ILE 260 Ca -0.35 -0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 57.13 2oo5 s ILE 260 Cb 0.11 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 39.04 2oo5 s ILE 260 CO 0.57 0.53 0.08 0.00 -1.23 0.00 0.00 174.94 174.89 2oo5 s ALA 261 N 1.03 3.05 -0.40 9.38 0.00 0.31 -0.92 121.76 134.21 2oo5 s ALA 261 Ca -0.01 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 2oo5 s ALA 261 Cb -0.14 -2.17 0.07 0.00 0.00 0.00 0.00 23.12 20.88 2oo5 s ALA 261 CO -0.05 -1.03 0.22 0.42 0.00 0.00 0.00 175.76 175.31 2oo5 s ILE 262 N 1.47 4.12 -0.25 0.00 1.01 -0.56 0.58 121.20 127.56 2oo5 s ILE 262 Ca 0.01 -1.34 -0.12 0.00 0.00 0.00 0.00 60.65 59.21 2oo5 s ILE 262 Cb -0.18 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2oo5 s ILE 262 CO 0.02 -0.43 0.22 0.42 0.00 0.00 0.00 174.94 175.17 2oo5 s THR 263 N 1.42 5.31 -0.00 2.92 -4.23 0.18 -0.01 115.64 121.23 2oo5 s THR 263 Ca 0.02 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 2oo5 s THR 263 Cb -0.22 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.07 2oo5 s THR 263 CO 0.02 0.29 0.85 0.35 -0.54 0.00 0.00 174.62 175.60 2oo5 n THR 264 N 4.57 0.71 -2.51 3.99 -2.24 0.61 -1.28 114.28 118.14 2oo5 n THR 264 Ca -0.13 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 2oo5 n THR 264 Cb 0.52 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.73 3.34 0.00 6.98 0.00 -1.23 -4.81 121.76 125.32 2oo5 s ALA 265 Ca 0.01 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.76 2oo5 s ALA 265 Cb 0.01 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2oo5 s ALA 265 CO 0.00 -0.31 -0.05 -0.51 0.00 0.00 0.00 175.76 174.89 2oo5 s LEU 266 N 0.55 2.05 -0.35 0.00 1.02 -1.26 -4.48 118.68 116.20 2oo5 s LEU 266 Ca 0.54 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.57 2oo5 s LEU 266 Cb -0.28 -0.24 0.10 0.00 0.02 0.00 0.00 46.19 45.80 2oo5 s LEU 266 CO 0.31 0.02 0.08 -0.63 0.02 0.00 0.00 176.35 176.14 2oo5 s ILE 267 N -0.31 2.15 -0.25 -0.59 1.01 -1.26 -4.69 121.20 117.26 2oo5 s ILE 267 Ca -0.00 -2.34 -0.41 0.00 0.00 0.00 0.00 60.65 57.91 2oo5 s ILE 267 Cb -0.03 -2.58 -0.17 0.00 0.01 0.00 0.00 42.46 39.69 2oo5 s ILE 267 CO -0.00 -0.63 1.65 -2.65 0.00 0.00 0.00 174.94 173.31 2oo5 n PRO 268 N 4.21 0.96 0.00 2.79 -0.02 -1.26 -1.79 135.00 139.88 2oo5 n PRO 268 Ca 0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2oo5 n PRO 268 Cb 0.41 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 3.85 2.40 3.79 -1.23 0.00 -1.26 -5.01 105.19 107.73 2oo5 n GLY 269 Ca 0.26 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 1.98 0.72 1.61 -0.14 -0.74 -5.04 119.74 118.12 2oo5 s LYS 270 Ca 0.00 0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 55.21 2oo5 s LYS 270 Cb 0.00 -1.90 0.03 0.00 -1.68 0.00 0.00 37.83 34.28 2oo5 s LYS 270 CO 0.00 -1.71 1.09 -1.25 -0.76 0.00 0.00 175.35 172.72 2oo5 s PRO 271 N -5.09 2.56 0.24 -1.68 0.04 -1.26 -4.59 135.00 125.22 2oo5 s PRO 271 Ca 0.61 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2oo5 s PRO 271 Cb -0.15 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2oo5 s PRO 271 CO 0.55 -1.42 1.38 0.00 0.04 0.00 0.00 177.00 177.55 2oo5 s ALA 272 N -2.68 3.58 0.17 8.56 0.00 -0.71 -4.61 121.76 126.07 2oo5 s ALA 272 Ca 0.63 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 2oo5 s ALA 272 Cb -0.18 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 2oo5 s ALA 272 CO 0.50 -0.66 1.17 -1.25 0.00 0.00 0.00 175.76 175.51 2oo5 s PRO 273 N -0.48 4.52 -0.58 0.00 0.04 -1.26 -4.72 135.00 132.52 2oo5 s PRO 273 Ca 0.57 1.82 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 2oo5 s PRO 273 Cb -0.40 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2oo5 s PRO 273 CO 0.43 -0.05 1.47 0.08 0.04 0.00 0.00 177.00 178.96 2oo5 s VAL 274 N -0.03 3.72 -0.14 -0.36 1.01 -1.26 -4.34 120.40 118.99 2oo5 s VAL 274 Ca 0.52 0.58 0.19 0.00 0.00 0.00 0.00 61.98 63.27 2oo5 s VAL 274 Cb -0.31 -4.40 -0.26 0.00 0.00 0.00 0.00 36.38 31.40 2oo5 s VAL 274 CO 0.36 -1.19 0.30 0.18 0.00 0.00 0.00 175.10 174.75 2oo5 n LEU 275 N 9.97 0.15 -3.93 3.92 4.77 0.06 -4.82 117.00 127.12 2oo5 n LEU 275 Ca 0.13 0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 2oo5 n LEU 275 Cb 0.49 0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 41.72 2oo5 n LEU 275 CO 0.71 0.31 -0.42 -0.63 -1.33 0.00 0.00 177.39 176.03 2oo5 s ILE 276 N -2.83 1.47 0.79 -0.08 1.01 -0.92 -4.94 121.20 115.69 2oo5 s ILE 276 Ca -0.08 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 2oo5 s ILE 276 Cb 0.09 -1.75 0.08 0.00 0.01 0.00 0.00 42.46 40.88 2oo5 s ILE 276 CO 0.85 -0.11 1.15 0.42 0.00 0.00 0.00 174.94 177.25 2oo5 s THR 277 N 1.42 2.07 0.35 2.92 -4.23 -1.26 -4.15 115.64 112.76 2oo5 s THR 277 Ca -0.06 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2oo5 s THR 277 Cb -0.19 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.84 2oo5 s THR 277 CO -0.06 -0.01 1.93 -0.08 -0.54 0.00 0.00 174.62 175.86 2oo5 h GLU 278 N -0.97 0.56 0.00 3.99 4.81 -1.99 -2.10 114.58 118.88 2oo5 h GLU 278 Ca -0.46 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2oo5 h GLU 278 Cb 1.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2oo5 h GLU 278 CO 0.65 0.51 -0.37 1.49 -0.73 0.00 0.00 179.01 180.56 2oo5 h GLU 279 N 0.55 0.00 -0.11 1.92 4.81 -2.01 -2.90 114.58 116.85 2oo5 h GLU 279 Ca 0.13 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 2oo5 h GLU 279 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2oo5 h GLU 279 CO -0.00 0.37 -0.77 0.52 -0.73 0.00 0.00 179.01 178.40 2oo5 h MET 280 N 0.00 0.58 0.00 1.92 2.86 -1.76 -3.30 114.93 115.22 2oo5 h MET 280 Ca -0.00 -0.48 -0.06 0.00 -2.06 0.00 0.00 59.70 57.10 2oo5 h MET 280 Cb 0.75 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2oo5 h MET 280 CO 0.05 1.10 -0.27 -0.39 1.06 0.00 0.00 176.91 178.46 2oo5 h VAL 281 N 0.39 0.55 -0.56 -2.22 -1.51 -1.35 -2.93 116.25 108.61 2oo5 h VAL 281 Ca -0.04 -1.43 -0.03 0.00 -1.23 0.00 0.00 66.70 63.96 2oo5 h VAL 281 Cb 1.37 2.00 -0.03 0.00 -2.13 0.00 0.00 31.29 32.50 2oo5 h VAL 281 CO 0.14 0.27 0.21 0.71 -1.23 0.00 0.00 177.57 177.67 2oo5 h THR 282 N 0.00 1.21 0.00 7.19 1.35 -1.60 -2.80 112.91 118.26 2oo5 h THR 282 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2oo5 h THR 282 Cb 0.98 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2oo5 h THR 282 CO 0.04 0.26 0.00 0.11 -0.25 0.00 0.00 175.52 175.68 2oo5 h LYS 283 N 0.81 0.00 -7.37 4.72 1.79 -1.60 -3.45 116.57 111.47 2oo5 h LYS 283 Ca 0.19 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.16 2oo5 h LYS 283 Cb 0.18 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.94 2oo5 h LYS 283 CO -0.02 0.00 0.35 -1.64 -1.08 0.00 0.00 179.45 177.06 2oo5 s MET 284 N -3.33 2.46 0.24 3.15 -1.94 -1.06 -4.68 119.30 114.15 2oo5 s MET 284 Ca 0.05 0.80 -0.30 0.00 -1.71 0.00 0.00 55.69 54.54 2oo5 s MET 284 Cb 0.10 -1.95 -0.09 0.00 2.01 0.00 0.00 34.83 34.90 2oo5 s MET 284 CO 0.49 -1.40 1.11 0.15 -0.01 0.00 0.00 175.02 175.36 2oo5 s LYS 285 N -5.09 4.62 0.26 2.03 1.02 -1.26 -5.01 119.74 116.30 2oo5 s LYS 285 Ca 0.60 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 58.07 2oo5 s LYS 285 Cb -0.14 -3.22 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 2oo5 s LYS 285 CO 0.55 0.15 1.31 -1.25 -0.92 0.00 0.00 175.35 175.19 2oo5 s PRO 286 N -1.03 4.38 0.00 -1.68 0.04 -1.26 -2.37 135.00 133.08 2oo5 s PRO 286 Ca 0.47 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2oo5 s PRO 286 Cb -0.31 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2oo5 s PRO 286 CO 0.39 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.61 2oo5 n GLY 287 N 1.73 0.10 3.74 0.56 0.00 0.12 -5.00 105.19 106.44 2oo5 n GLY 287 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.04 3.75 -0.01 1.61 0.01 -1.00 -4.64 113.70 111.38 2oo5 s SER 288 Ca 0.00 1.44 0.04 0.00 1.31 0.00 0.00 55.95 58.74 2oo5 s SER 288 Cb 0.00 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2oo5 s SER 288 CO 0.00 -2.46 -0.14 -0.69 0.41 0.00 0.00 173.24 170.37 2oo5 s VAL 289 N -2.99 1.07 -0.14 3.43 1.01 -0.20 -2.12 120.40 120.45 2oo5 s VAL 289 Ca 0.63 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2oo5 s VAL 289 Cb -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2oo5 s VAL 289 CO 0.56 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 175.14 2oo5 s ILE 290 N -0.34 2.37 -0.34 2.22 1.01 0.91 -0.53 121.20 126.50 2oo5 s ILE 290 Ca 0.05 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2oo5 s ILE 290 Cb -0.05 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.47 2oo5 s ILE 290 CO -0.00 0.53 0.15 -0.63 0.00 0.00 0.00 174.94 174.99 2oo5 s ILE 291 N 0.78 4.25 -0.64 2.92 -1.09 0.20 0.41 121.20 128.02 2oo5 s ILE 291 Ca -0.07 -0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 57.36 2oo5 s ILE 291 Cb -0.16 -3.33 0.16 0.00 -1.58 0.00 0.00 42.46 37.56 2oo5 s ILE 291 CO -0.00 -0.13 0.57 -0.62 -1.23 0.00 0.00 174.94 173.53 2oo5 s ASP 292 N 1.51 6.26 0.46 3.58 -1.08 -0.37 -0.65 116.67 126.38 2oo5 s ASP 292 Ca 0.01 -2.22 0.26 0.00 -0.52 0.00 0.00 52.55 50.08 2oo5 s ASP 292 Cb -0.19 -2.15 0.83 0.00 -1.46 0.00 0.00 42.92 39.95 2oo5 s ASP 292 CO 0.05 -0.69 1.78 -0.07 0.52 0.00 0.00 175.17 176.76 2oo5 h LEU 293 N 8.28 0.00 -0.70 -1.34 3.38 -1.49 -3.12 115.31 120.32 2oo5 h LEU 293 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2oo5 h LEU 293 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2oo5 h LEU 293 CO 0.88 0.14 0.00 0.00 0.09 0.00 0.00 178.44 179.55 2oo5 n ALA 294 N -2.15 2.48 -0.36 1.53 0.00 -1.25 -4.53 120.51 116.22 2oo5 n ALA 294 Ca 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.17 2oo5 n ALA 294 Cb 0.45 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 19.12 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 1.13 0.99 0.00 0.00 3.04 -1.89 0.27 116.25 119.79 2oo5 h VAL 295 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2oo5 h VAL 295 Cb 0.26 -0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.38 2oo5 h VAL 295 CO 0.00 0.19 0.00 -0.33 -1.01 0.00 0.00 177.57 176.42 2oo5 h GLU 296 N 1.06 0.00 -0.72 4.17 5.08 -1.88 -3.08 114.58 119.21 2oo5 h GLU 296 Ca 0.47 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.38 2oo5 h GLU 296 Cb 0.36 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.36 2oo5 h GLU 296 CO -0.22 0.00 0.16 0.00 -1.00 0.00 0.00 179.01 177.95 2oo5 n ALA 297 N -1.88 5.23 0.00 3.43 0.00 -0.34 -4.91 120.51 122.04 2oo5 n ALA 297 Ca 0.03 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.15 2oo5 n ALA 297 Cb 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.00 3.39 0.00 0.00 0.00 -1.17 -1.73 105.19 104.68 2oo5 n GLY 298 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.07 0.19 -0.02 0.00 0.80 -4.78 105.19 96.32 2oo5 n GLY 299 Ca 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 -3.32 1.61 -0.26 -1.77 -3.41 115.58 108.42 2oo5 h ASN 300 Ca 0.00 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 55.07 2oo5 h ASN 300 Cb 0.00 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 36.96 2oo5 h ASN 300 CO 0.00 0.00 -0.82 0.00 -1.06 0.00 0.00 177.43 175.55 2oo5 n PRO 302 N 3.60 0.19 0.15 0.00 -0.04 -1.26 -2.84 135.00 134.80 2oo5 n PRO 302 Ca -0.19 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2oo5 n PRO 302 Cb 0.53 -1.76 0.42 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.00-10.01 1.53 3.38 -1.96 -3.46 115.31 104.78 2oo5 h LEU 303 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2oo5 h LEU 303 Cb 0.57 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.38 2oo5 h LEU 303 CO 0.00 0.00 0.46 -0.94 0.09 0.00 0.00 178.44 178.05 2oo5 s SER 304 N -4.85 6.19 -0.01 -0.43 1.04 -1.13 -4.85 113.70 109.65 2oo5 s SER 304 Ca 0.07 2.23 0.04 0.00 0.48 0.00 0.00 55.95 58.77 2oo5 s SER 304 Cb 0.10 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 2oo5 s SER 304 CO 0.55 -0.90 -0.12 -1.61 0.98 0.00 0.00 173.24 172.14 2oo5 s GLU 305 N -2.80 1.05 0.19 4.02 2.02 -1.26 -5.01 118.70 116.92 2oo5 s GLU 305 Ca 0.64 -0.44 -0.32 0.00 0.02 0.00 0.00 54.97 54.88 2oo5 s GLU 305 Cb -0.26 -1.00 -0.11 0.00 0.10 0.00 0.00 34.13 32.85 2oo5 s GLU 305 CO 0.32 0.24 1.65 -2.14 0.02 0.00 0.00 175.26 175.35 2oo5 s PRO 306 N -0.20 4.17 -0.76 0.39 0.02 -1.26 -2.87 135.00 134.49 2oo5 s PRO 306 Ca 0.03 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2oo5 s PRO 306 Cb -0.06 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2oo5 s PRO 306 CO -0.00 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 2oo5 n GLY 307 N 3.87 0.80 3.12 0.52 0.00 0.11 -4.91 105.19 108.69 2oo5 n GLY 307 Ca 0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.93 0.75 -0.32 1.61 1.02 -1.14 -4.89 119.74 113.85 2oo5 s LYS 308 Ca 0.00 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 54.69 2oo5 s LYS 308 Cb 0.00 0.21 0.08 0.00 -0.52 0.00 0.00 37.83 37.60 2oo5 s LYS 308 CO 0.00 -0.17 0.01 0.42 -0.92 0.00 0.00 175.35 174.69 2oo5 s ILE 309 N -3.96 2.55 -0.27 2.17 1.01 -1.26 -1.87 121.20 119.57 2oo5 s ILE 309 Ca 0.14 -1.86 -0.20 0.00 0.00 0.00 0.00 60.65 58.73 2oo5 s ILE 309 Cb 0.08 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2oo5 s ILE 309 CO -0.05 -0.32 0.61 -0.69 0.00 0.00 0.00 174.94 174.50 2oo5 s VAL 310 N 1.08 4.98 -0.34 2.92 1.01 -0.25 -4.88 120.40 124.92 2oo5 s VAL 310 Ca 0.01 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 2oo5 s VAL 310 Cb -0.20 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2oo5 s VAL 310 CO -0.05 -0.02 0.29 -0.69 0.00 0.00 0.00 175.10 174.63 2oo5 s VAL 311 N 2.51 5.24 -0.21 2.92 1.01 -1.26 0.60 120.40 131.21 2oo5 s VAL 311 Ca 0.25 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 2oo5 s VAL 311 Cb -0.15 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2oo5 s VAL 311 CO 0.10 -0.04 0.57 -0.75 0.00 0.00 0.00 175.10 174.97 2oo5 s LYS 312 N 1.84 0.68 -1.47 2.72 2.20 -0.79 -4.91 119.74 120.01 2oo5 s LYS 312 Ca 0.08 0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 2oo5 s LYS 312 Cb -0.17 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2oo5 s LYS 312 CO 0.11 -0.09 0.64 0.72 -0.36 0.00 0.00 175.35 176.37 2oo5 n HIS 313 N 2.69 -2.01 -0.91 4.03 8.25 -1.26 -2.12 115.22 123.88 2oo5 n HIS 313 Ca -0.14 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2oo5 n HIS 313 Cb 0.56 -4.09 0.00 0.00 1.12 0.00 0.00 29.99 27.58 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 -1.47 0.50 3.27 -1.41 0.00 -1.26 -4.65 105.19 100.17 2oo5 n GLY 314 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.35 2.50 -0.19 1.61 1.01 -0.90 0.15 120.40 122.22 2oo5 s VAL 315 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2oo5 s VAL 315 Cb 0.00 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 2oo5 s VAL 315 CO 0.00 0.54 1.12 -0.54 0.00 0.00 0.00 175.10 176.22 2oo5 s LYS 316 N 0.48 4.27 -0.46 2.72 1.02 -0.90 -1.89 119.74 124.98 2oo5 s LYS 316 Ca -0.13 1.48 -0.11 0.00 0.02 0.00 0.00 55.97 57.23 2oo5 s LYS 316 Cb -0.17 -3.67 0.10 0.00 -0.52 0.00 0.00 37.83 33.58 2oo5 s LYS 316 CO 0.05 -0.62 0.34 0.42 -0.92 0.00 0.00 175.35 174.62 2oo5 s ILE 317 N 3.14 4.48 -0.02 2.17 1.09 0.20 -0.06 121.20 132.20 2oo5 s ILE 317 Ca 0.48 -1.51 -0.19 0.00 -1.10 0.00 0.00 60.65 58.33 2oo5 s ILE 317 Cb -0.18 -3.82 -0.05 0.00 -1.06 0.00 0.00 42.46 37.34 2oo5 s ILE 317 CO 0.11 -0.66 0.55 -0.69 -0.10 0.00 0.00 174.94 174.14 2oo5 s VAL 318 N 1.45 4.95 -0.41 2.92 1.01 0.17 -1.09 120.40 129.40 2oo5 s VAL 318 Ca 0.04 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.25 2oo5 s VAL 318 Cb -0.25 -3.88 0.32 0.00 0.00 0.00 0.00 36.38 32.57 2oo5 s VAL 318 CO 0.02 0.44 0.85 0.61 0.00 0.00 0.00 175.10 177.02 2oo5 n GLY 319 N 2.43 2.23 3.77 4.51 0.00 -0.78 -1.23 105.19 116.11 2oo5 n GLY 319 Ca -0.08 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.14 2.87 0.32 1.61 3.76 -1.26 0.04 115.29 121.50 2oo5 s HIS 320 Ca 0.33 1.39 -0.14 0.00 -0.15 0.00 0.00 55.06 56.49 2oo5 s HIS 320 Cb 0.30 -3.70 -0.09 0.00 1.11 0.00 0.00 32.58 30.20 2oo5 s HIS 320 CO -0.09 -2.09 0.73 0.95 -0.85 0.00 0.00 174.74 173.39 2oo5 s THR 321 N -1.21 4.70 -1.06 1.30 -4.23 -1.26 -4.54 115.64 109.35 2oo5 s THR 321 Ca 0.54 0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 61.80 2oo5 s THR 321 Cb -0.39 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 2oo5 s THR 321 CO 0.51 -0.21 0.82 -3.20 -0.54 0.00 0.00 174.62 172.00 2oo5 n ASN 322 N -0.44 -5.95 -0.19 3.99 5.15 -1.26 -4.91 115.26 111.65 2oo5 n ASN 322 Ca 0.03 -0.84 -0.03 0.00 -0.60 0.00 0.00 54.58 53.15 2oo5 n ASN 322 Cb 0.53 -4.03 0.16 0.00 -0.53 0.00 0.00 39.78 35.92 2oo5 n ASN 322 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2oo5 h VAL 323 N -1.36 1.23 0.00 3.44 2.07 -1.98 -2.42 116.25 117.24 2oo5 h VAL 323 Ca -0.59 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2oo5 h VAL 323 Cb 1.31 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2oo5 h VAL 323 CO 0.45 0.29 -0.05 -0.65 0.02 0.00 0.00 177.57 177.63 2oo5 h PRO 324 N 0.95 0.00 0.00 1.57 0.11 -1.91 -1.32 132.00 131.40 2oo5 h PRO 324 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2oo5 h PRO 324 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2oo5 h PRO 324 CO -0.02 0.05 0.00 1.03 -0.21 0.00 0.00 178.00 178.85 2oo5 h SER 325 N 0.00 0.00 1.27 -2.05 0.87 -1.79 -2.43 113.55 109.42 2oo5 h SER 325 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2oo5 h SER 325 Cb 0.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2oo5 h SER 325 CO 0.01 0.00 -0.02 0.03 -0.53 0.00 0.00 176.83 176.32 2oo5 h ARG 326 N 0.00 0.00 -1.71 2.24 3.08 -1.29 -2.94 114.38 113.75 2oo5 h ARG 326 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2oo5 h ARG 326 Cb 0.48 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.15 2oo5 h ARG 326 CO 0.00 0.02 -0.34 0.28 -1.07 0.00 0.00 179.97 178.86 2oo5 n VAL 327 N -3.11 2.79 -0.28 2.04 0.31 -0.92 -4.94 118.33 114.21 2oo5 n VAL 327 Ca 0.01 -4.92 -0.00 0.00 -0.01 0.00 0.00 64.34 59.42 2oo5 n VAL 327 Cb 0.37 -1.29 0.12 0.00 -0.91 0.00 0.00 33.84 32.14 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 2.75 1.07 0.00 3.52 0.00 -1.45 -0.40 119.26 124.75 2oo5 h ALA 328 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2oo5 h ALA 328 Cb 0.69 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oo5 h ALA 328 CO 0.96 0.19 0.00 0.00 0.00 0.00 0.00 179.25 180.40 2oo5 h ALA 329 N 1.38 1.00 0.01 0.00 0.00 -1.78 -0.30 119.26 119.57 2oo5 h ALA 329 Ca 0.35 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.90 2oo5 h ALA 329 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2oo5 h ALA 329 CO -0.18 0.00 -2.23 -0.25 0.00 0.00 0.00 179.25 176.59 2oo5 n ASP 330 N -2.44 0.57 -0.02 0.00 8.00 -1.11 -4.50 116.55 117.05 2oo5 n ASP 330 Ca 0.04 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 2oo5 n ASP 330 Cb 0.35 0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 2oo5 n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oo5 h ALA 331 N 0.82 0.17 0.38 2.24 0.00 -0.79 -3.24 119.26 118.83 2oo5 h ALA 331 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2oo5 h ALA 331 Cb 2.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 2oo5 h ALA 331 CO 0.03 -0.31 -0.23 0.77 0.00 0.00 0.00 179.25 179.51 2oo5 h SER 332 N 0.14 -0.56 0.06 0.00 0.02 -1.29 0.16 113.55 112.08 2oo5 h SER 332 Ca 0.05 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2oo5 h SER 332 Cb 0.04 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2oo5 h SER 332 CO -0.01 -0.36 -0.03 1.55 -1.14 0.00 0.00 176.83 176.84 2oo5 h PRO 333 N -0.58 0.00 0.16 3.45 0.13 -1.79 0.21 132.00 133.58 2oo5 h PRO 333 Ca -0.04 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.77 2oo5 h PRO 333 Cb 0.47 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.61 2oo5 h PRO 333 CO 0.05 0.03 -1.51 -0.07 -0.23 0.00 0.00 178.00 176.27 2oo5 h LEU 334 N 0.00 0.51 -0.79 1.56 3.38 -1.55 -2.87 115.31 115.55 2oo5 h LEU 334 Ca -0.00 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 2oo5 h LEU 334 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2oo5 h LEU 334 CO 0.00 1.53 0.23 0.15 0.09 0.00 0.00 178.44 180.44 2oo5 h PHE 335 N 0.09 1.17 -0.61 1.13 3.57 -0.64 -0.84 116.94 120.80 2oo5 h PHE 335 Ca -0.24 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.10 2oo5 h PHE 335 Cb 2.05 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 2oo5 h PHE 335 CO 0.08 0.92 0.21 0.00 -2.23 0.00 0.00 178.31 177.29 2oo5 h ALA 336 N 1.16 0.80 -0.12 2.41 0.00 -1.06 -2.60 119.26 119.84 2oo5 h ALA 336 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2oo5 h ALA 336 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2oo5 h ALA 336 CO -0.01 0.45 -0.31 0.87 0.00 0.00 0.00 179.25 180.25 2oo5 h LYS 337 N 0.86 0.22 -0.49 0.00 1.57 -1.32 -0.94 116.57 116.46 2oo5 h LYS 337 Ca 0.20 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2oo5 h LYS 337 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2oo5 h LYS 337 CO -0.01 0.51 0.33 -0.91 -0.57 0.00 0.00 179.45 178.80 2oo5 h ASN 338 N 0.19 0.57 -0.60 0.86 -0.26 -0.96 0.73 115.58 116.11 2oo5 h ASN 338 Ca 0.03 -0.02 -0.10 0.00 -0.56 0.00 0.00 56.30 55.65 2oo5 h ASN 338 Cb 0.64 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 2oo5 h ASN 338 CO 0.05 0.42 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.74 2oo5 h LEU 339 N 0.67 1.06 -0.36 1.61 3.38 -1.26 -2.07 115.31 118.34 2oo5 h LEU 339 Ca 0.18 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2oo5 h LEU 339 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2oo5 h LEU 339 CO -0.04 1.12 0.11 0.25 0.09 0.00 0.00 178.44 179.97 2oo5 h LEU 340 N 0.97 0.52 -1.01 1.67 5.85 -0.99 -1.59 115.31 120.73 2oo5 h LEU 340 Ca 0.17 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2oo5 h LEU 340 Cb 0.59 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2oo5 h LEU 340 CO 0.03 0.59 -0.04 0.78 -0.34 0.00 0.00 178.44 179.46 2oo5 h ASN 341 N 0.43 0.63 -0.52 1.25 2.35 -0.81 -0.69 115.58 118.22 2oo5 h ASN 341 Ca 0.12 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2oo5 h ASN 341 Cb 0.25 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2oo5 h ASN 341 CO -0.00 0.73 0.07 0.15 -1.65 0.00 0.00 177.43 176.73 2oo5 h PHE 342 N 0.62 0.92 0.13 1.19 3.57 -1.29 -3.36 116.94 118.72 2oo5 h PHE 342 Ca 0.12 -0.13 -0.30 0.00 3.53 0.00 0.00 57.97 61.18 2oo5 h PHE 342 Cb 0.45 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2oo5 h PHE 342 CO 0.02 0.84 -1.50 1.25 -2.23 0.00 0.00 178.31 176.69 2oo5 h LEU 343 N 0.74 0.42 -0.88 0.59 6.46 -1.01 -3.40 115.31 118.23 2oo5 h LEU 343 Ca 0.15 -0.56 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 2oo5 h LEU 343 Cb 0.42 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 2oo5 h LEU 343 CO 0.01 1.46 0.53 0.74 -0.62 0.00 0.00 178.44 180.56 2oo5 h THR 344 N 0.07 0.94 0.00 1.05 2.02 -1.27 -2.25 112.91 113.48 2oo5 h THR 344 Ca -0.23 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2oo5 h THR 344 Cb 2.02 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2oo5 h THR 344 CO 0.17 0.16 0.00 -0.65 0.37 0.00 0.00 175.52 175.57 2oo5 h PRO 345 N 0.89 0.00 -0.02 6.66 0.11 -1.78 -2.95 132.00 134.91 2oo5 h PRO 345 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2oo5 h PRO 345 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2oo5 h PRO 345 CO -0.23 0.00 -0.28 0.72 -0.21 0.00 0.00 178.00 177.99 2oo5 n HIS 346 N -2.82 0.00 -3.03 0.65 8.25 -0.85 -4.94 115.22 112.48 2oo5 n HIS 346 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 2oo5 n HIS 346 Cb 0.14 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.34 4.63 0.29 1.59 1.01 -1.12 -0.94 120.40 123.52 2oo5 s VAL 347 Ca 0.24 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 2oo5 s VAL 347 Cb 0.19 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 2oo5 s VAL 347 CO 0.48 0.44 0.90 -1.81 0.00 0.00 0.00 175.10 175.12 2oo5 s ASP 348 N -0.55 7.33 -0.02 3.32 1.11 -0.95 -4.99 116.67 121.94 2oo5 s ASP 348 Ca 0.36 1.77 -0.22 0.00 0.18 0.00 0.00 52.55 54.64 2oo5 s ASP 348 Cb -0.21 -2.55 -0.22 0.00 1.07 0.00 0.00 42.92 41.01 2oo5 s ASP 348 CO 0.23 -0.01 1.10 0.50 1.18 0.00 0.00 175.17 178.17 2oo5 h LYS 349 N 3.39 0.27 -0.21 8.23 3.64 -1.93 -3.34 116.57 126.62 2oo5 h LYS 349 Ca -0.47 -0.26 -0.19 0.00 -1.27 0.00 0.00 60.65 58.46 2oo5 h LYS 349 Cb 1.19 0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 32.83 2oo5 h LYS 349 CO 0.65 0.94 -0.80 -0.25 -2.27 0.00 0.00 179.45 177.73 2oo5 n ASP 350 N -4.43 2.14 -0.02 4.20 8.00 -1.26 -4.67 116.55 120.50 2oo5 n ASP 350 Ca -0.09 -3.10 -0.02 0.00 0.71 0.00 0.00 54.79 52.29 2oo5 n ASP 350 Cb 0.53 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2oo5 n ASP 350 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2oo5 n THR 351 N -0.52 0.34 -3.00 -3.53 -1.04 -1.26 -5.07 114.28 100.19 2oo5 n THR 351 Ca 0.19 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.05 61.85 2oo5 n THR 351 Cb 0.89 -0.78 0.06 0.00 -1.82 0.00 0.00 70.33 68.68 2oo5 n THR 351 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2oo5 n LYS 352 N -2.16 -3.15 -3.90 -2.82 4.81 -1.25 -5.05 118.16 104.64 2oo5 n LYS 352 Ca -0.08 0.70 -0.08 0.00 -0.87 0.00 0.00 58.31 57.98 2oo5 n LYS 352 Cb 0.64 -5.08 -0.03 0.00 0.02 0.00 0.00 35.03 30.58 2oo5 n LYS 352 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2oo5 s THR 353 N -3.31 0.00 -0.20 3.15 -1.32 -1.26 -4.60 115.64 108.10 2oo5 s THR 353 Ca 0.23 -1.12 -0.05 0.00 -1.21 0.00 0.00 61.69 59.54 2oo5 s THR 353 Cb -0.03 -2.11 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 2oo5 s THR 353 CO 0.59 0.00 0.01 -0.22 -2.21 0.00 0.00 174.62 172.79 2oo5 s LEU 354 N -2.96 3.32 -0.50 9.08 0.20 -1.26 -2.23 118.68 124.33 2oo5 s LEU 354 Ca 0.15 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.82 2oo5 s LEU 354 Cb -0.04 -1.84 0.13 0.00 -0.43 0.00 0.00 46.19 44.00 2oo5 s LEU 354 CO 0.08 0.07 0.26 -0.69 -0.29 0.00 0.00 176.35 175.77 2oo5 s VAL 355 N 0.99 2.21 -0.30 1.68 1.01 -0.11 -5.03 120.40 120.85 2oo5 s VAL 355 Ca 0.02 -3.10 -0.29 0.00 0.00 0.00 0.00 61.98 58.61 2oo5 s VAL 355 Cb -0.14 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2oo5 s VAL 355 CO 0.02 -0.84 1.11 -0.04 0.00 0.00 0.00 175.10 175.35 2oo5 s MET 356 N -0.11 4.07 -0.19 2.72 -1.94 -1.26 -4.68 119.30 117.90 2oo5 s MET 356 Ca 0.17 1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 55.11 2oo5 s MET 356 Cb -0.25 -3.75 -0.03 0.00 2.01 0.00 0.00 34.83 32.81 2oo5 s MET 356 CO -0.00 -0.90 0.55 0.15 -0.01 0.00 0.00 175.02 174.81 2oo5 s LYS 357 N 3.68 4.21 0.38 2.03 1.02 -1.26 -4.96 119.74 124.83 2oo5 s LYS 357 Ca 0.47 0.49 0.18 0.00 0.02 0.00 0.00 55.97 57.13 2oo5 s LYS 357 Cb -0.13 -3.56 0.75 0.00 -0.52 0.00 0.00 37.83 34.37 2oo5 s LYS 357 CO 0.16 -0.16 1.78 -0.07 -0.92 0.00 0.00 175.35 176.14 2oo5 h LEU 358 N 7.93 0.00 -0.53 3.17 4.07 -1.98 -2.99 115.31 124.98 2oo5 h LEU 358 Ca -0.34 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.48 2oo5 h LEU 358 Cb 1.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 2oo5 h LEU 358 CO 0.75 0.36 -0.40 -0.33 -1.08 0.00 0.00 178.44 177.74 2oo5 h GLU 359 N 0.00 0.75 -6.30 1.13 3.07 -2.02 -3.43 114.58 107.78 2oo5 h GLU 359 Ca -0.00 -0.39 -0.54 0.00 -0.50 0.00 0.00 59.36 57.92 2oo5 h GLU 359 Cb 0.81 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2oo5 h GLU 359 CO 0.05 1.01 1.24 0.34 -1.40 0.00 0.00 179.01 180.25 2oo5 s ASP 360 N -6.85 6.37 0.25 1.42 -1.08 -1.13 -4.90 116.67 110.75 2oo5 s ASP 360 Ca -0.09 2.50 0.25 0.00 -0.52 0.00 0.00 52.55 54.69 2oo5 s ASP 360 Cb 0.12 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.97 2oo5 s ASP 360 CO 0.85 -1.14 1.74 -1.84 0.52 0.00 0.00 175.17 175.31 2oo5 n GLU 361 N 7.62 0.23 0.06 4.34 0.28 -1.26 -2.33 120.64 129.58 2oo5 n GLU 361 Ca 0.21 0.35 -0.00 0.00 -0.16 0.00 0.00 57.16 57.55 2oo5 n GLU 361 Cb 0.42 -1.86 0.30 0.00 1.43 0.00 0.00 31.44 31.73 2oo5 n GLU 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2oo5 h THR 362 N 0.00 1.22 0.04 3.84 1.03 -1.92 -1.95 112.91 115.17 2oo5 h THR 362 Ca 0.00 -0.97 -0.08 0.00 -0.01 0.00 0.00 66.41 65.35 2oo5 h THR 362 Cb 0.51 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 2oo5 h THR 362 CO 0.00 0.31 -0.39 0.58 -0.01 0.00 0.00 175.52 176.01 2oo5 h VAL 363 N 0.34 1.61 -0.37 0.00 2.07 -1.72 -3.21 116.25 114.97 2oo5 h VAL 363 Ca 0.06 -2.38 -0.10 0.00 0.82 0.00 0.00 66.70 65.10 2oo5 h VAL 363 Cb 0.47 3.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 2oo5 h VAL 363 CO 0.03 0.61 -0.19 0.77 0.02 0.00 0.00 177.57 178.82 2oo5 h SER 364 N -0.81 0.71 0.61 0.57 4.64 -1.58 -0.38 113.55 117.31 2oo5 h SER 364 Ca -0.08 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 2oo5 h SER 364 Cb 1.22 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2oo5 h SER 364 CO 0.02 0.89 -0.37 1.23 -0.87 0.00 0.00 176.83 177.73 2oo5 h GLY 365 N 0.98 0.00 0.93 -0.77 0.00 -1.52 -3.30 103.07 99.38 2oo5 h GLY 365 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.12 2oo5 h GLY 365 CO 0.05 0.00 -1.75 -0.84 0.00 0.00 0.00 176.54 173.99 2oo5 h THR 366 N 0.00 0.83 -2.94 4.70 2.02 -1.48 -3.44 112.91 112.60 2oo5 h THR 366 Ca -0.00 -2.63 -0.57 0.00 0.77 0.00 0.00 66.41 63.98 2oo5 h THR 366 Cb 0.78 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.63 2oo5 h THR 366 CO 0.05 0.63 1.01 0.00 0.37 0.00 0.00 175.52 177.59 2oo5 n VAL 368 N 6.05 1.49 -4.64 0.00 0.31 -0.98 -3.99 118.33 116.56 2oo5 n VAL 368 Ca 0.16 0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 64.25 2oo5 n VAL 368 Cb 0.46 -2.19 -0.14 0.00 -0.91 0.00 0.00 33.84 31.06 2oo5 n VAL 368 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2oo5 s THR 369 N -2.38 2.03 -0.08 2.52 2.01 -1.23 -1.37 115.64 117.13 2oo5 s THR 369 Ca -0.24 -1.47 -0.03 0.00 0.31 0.00 0.00 61.69 60.26 2oo5 s THR 369 Cb 0.05 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.84 2oo5 s THR 369 CO 0.42 0.21 0.15 -0.60 -0.69 0.00 0.00 174.62 174.11 2oo5 s ARG 370 N -1.52 0.02 -1.23 4.92 3.52 -0.98 -2.49 118.95 121.19 2oo5 s ARG 370 Ca 0.11 0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 56.07 2oo5 s ARG 370 Cb -0.10 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.98 2oo5 s ARG 370 CO 0.03 -0.32 0.66 -0.25 -0.81 0.00 0.00 175.30 174.62 2oo5 n ASP 371 N 5.32 -3.66 -0.03 -2.12 9.92 -1.25 -3.08 116.55 121.64 2oo5 n ASP 371 Ca -0.04 -1.07 -0.00 0.00 -0.53 0.00 0.00 54.79 53.14 2oo5 n ASP 371 Cb 0.50 -2.97 -0.00 0.00 -0.64 0.00 0.00 41.12 38.01 2oo5 n ASP 371 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2oo5 n GLY 372 N -1.85 0.37 3.63 0.44 0.00 -1.26 -4.96 105.19 101.57 2oo5 n GLY 372 Ca -0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.02 -1.81 -0.06 4.61 0.00 -1.18 -4.94 121.76 116.36 2oo5 s ALA 373 Ca 0.00 2.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.86 2oo5 s ALA 373 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2oo5 s ALA 373 CO 0.00 -0.36 1.18 0.42 0.00 0.00 0.00 175.76 177.01 2oo5 s ILE 374 N 0.94 4.31 -0.02 0.00 1.01 -1.26 -2.33 121.20 123.85 2oo5 s ILE 374 Ca -0.04 1.63 0.08 0.00 0.00 0.00 0.00 60.65 62.32 2oo5 s ILE 374 Cb -0.05 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.24 2oo5 s ILE 374 CO -0.08 -0.01 0.19 0.55 0.00 0.00 0.00 174.94 175.59 2oo5 n VAL 375 N 4.63 0.00 -2.18 2.92 3.14 -0.47 -4.91 118.33 121.46 2oo5 n VAL 375 Ca 0.11 -0.20 -0.40 0.00 -2.96 0.00 0.00 64.34 60.89 2oo5 n VAL 375 Cb 0.46 0.33 -0.02 0.00 -1.06 0.00 0.00 33.84 33.56 2oo5 n VAL 375 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 2oo5 s HIS 376 N -2.56 3.07 0.30 1.45 5.04 -1.22 -4.95 115.29 116.43 2oo5 s HIS 376 Ca -0.03 1.48 -0.02 0.00 -1.54 0.00 0.00 55.06 54.95 2oo5 s HIS 376 Cb 0.05 -3.58 0.43 0.00 0.04 0.00 0.00 32.58 29.53 2oo5 s HIS 376 CO 0.35 -1.64 1.95 -1.35 -2.34 0.00 0.00 174.74 171.71 2oo5 h PRO 377 N 3.15 1.08 -6.95 2.88 0.11 -1.91 -3.02 132.00 127.34 2oo5 h PRO 377 Ca -0.49 -0.08 -0.48 0.00 0.11 0.00 0.00 66.00 65.07 2oo5 h PRO 377 Cb 1.23 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 32.11 2oo5 h PRO 377 CO 0.64 0.73 0.39 0.00 -0.21 0.00 0.00 178.00 179.56 2oo5 s ALA 378 N -5.87 3.12 0.00 -0.75 0.00 -1.26 -4.04 121.76 112.96 2oo5 s ALA 378 Ca -0.11 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2oo5 s ALA 378 Cb 0.18 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2oo5 s ALA 378 CO 0.79 -0.10 0.00 1.28 0.00 0.00 0.00 175.76 177.74 2oo5 n LEU 379 N 0.08 0.00 0.00 0.00 4.77 -1.26 -4.99 117.00 115.59 2oo5 n LEU 379 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2oo5 n LEU 379 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2oo5 n LEU 379 CO 0.45 0.00 0.13 0.35 -1.33 0.00 0.00 177.39 176.99