#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2g s LYS 2 N 0.00 3.31 -0.06 2.12 1.02 -1.26 -1.74 119.74 123.12 1u2g s LYS 2 Ca 0.00 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 55.72 1u2g s LYS 2 Cb 0.00 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1u2g s LYS 2 CO 0.00 0.65 -0.18 -1.50 -0.92 0.00 0.00 175.35 173.40 1u2g s ILE 3 N -0.70 2.72 0.01 2.17 2.07 -0.28 -0.92 121.20 126.26 1u2g s ILE 3 Ca 0.12 -0.84 0.05 0.00 -1.41 0.00 0.00 60.65 58.57 1u2g s ILE 3 Cb -0.12 -2.05 -0.02 0.00 0.13 0.00 0.00 42.46 40.41 1u2g s ILE 3 CO 0.02 0.58 -0.15 0.00 -1.91 0.00 0.00 174.94 173.48 1u2g s ALA 4 N -0.46 1.25 -0.22 1.50 0.00 -0.16 -0.69 121.76 122.98 1u2g s ALA 4 Ca 0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1u2g s ALA 4 Cb -0.12 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1u2g s ALA 4 CO 0.02 0.29 -0.03 0.42 0.00 0.00 0.00 175.76 176.46 1u2g s ILE 5 N -0.51 1.21 0.72 0.00 1.09 -0.21 -1.40 121.20 122.10 1u2g s ILE 5 Ca 0.05 -1.01 -0.05 0.00 -1.10 0.00 0.00 60.65 58.55 1u2g s ILE 5 Cb -0.06 -1.55 0.10 0.00 -1.06 0.00 0.00 42.46 39.89 1u2g s ILE 5 CO 0.00 -0.13 1.01 -2.16 -0.10 0.00 0.00 174.94 173.56 1u2g s PRO 6 N 1.54 1.84 0.40 2.79 0.04 -1.26 -1.89 135.00 138.47 1u2g s PRO 6 Ca -0.04 -0.67 -0.24 0.00 0.04 0.00 0.00 61.00 60.08 1u2g s PRO 6 Cb -0.18 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 1u2g s PRO 6 CO -0.07 -1.40 1.07 0.21 0.04 0.00 0.00 177.00 176.85 1u2g s LYS 7 N -5.22 4.16 -0.07 4.56 2.20 -1.26 -4.78 119.74 119.32 1u2g s LYS 7 Ca 0.64 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 1u2g s LYS 7 Cb -0.08 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1u2g s LYS 7 CO 0.45 -0.16 1.20 -1.21 -0.36 0.00 0.00 175.35 175.27 1u2g s GLU 8 N -2.45 4.34 -0.02 4.03 0.41 -1.26 -4.93 118.70 118.82 1u2g s GLU 8 Ca 0.57 1.66 0.20 0.00 -0.41 0.00 0.00 54.97 56.99 1u2g s GLU 8 Cb -0.23 -3.58 -0.27 0.00 -1.78 0.00 0.00 34.13 28.26 1u2g s GLU 8 CO 0.29 -0.47 0.58 0.54 -0.49 0.00 0.00 175.26 175.72 1u2g n ARG 9 N 5.33 0.60 -1.99 1.61 5.12 -1.26 -4.86 116.66 121.20 1u2g n ARG 9 Ca 0.11 -0.12 -0.41 0.00 -1.93 0.00 0.00 57.85 55.50 1u2g n ARG 9 Cb 0.46 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.28 1u2g n ARG 9 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1u2g s ARG 10 N -3.19 4.25 0.08 5.56 0.52 -1.26 -4.89 118.95 120.03 1u2g s ARG 10 Ca -0.02 2.33 -0.36 0.00 -0.52 0.00 0.00 55.73 57.15 1u2g s ARG 10 Cb 0.14 -3.10 -0.16 0.00 0.52 0.00 0.00 34.95 32.34 1u2g s ARG 10 CO 0.82 -0.44 1.40 -2.30 0.02 0.00 0.00 175.30 174.80 1u2g n PRO 11 N 2.30 1.31 -0.46 3.54 -0.02 -1.26 -1.90 135.00 138.51 1u2g n PRO 11 Ca 0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1u2g n PRO 11 Cb 0.40 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1u2g n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u2g n GLY 12 N 2.75 1.68 3.60 -1.23 0.00 -1.26 -5.00 105.19 105.73 1u2g n GLY 12 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1u2g n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u2g s GLU 13 N -0.15 3.74 0.00 1.61 2.56 -0.80 -4.87 118.70 120.79 1u2g s GLU 13 Ca 0.00 0.51 0.13 0.00 0.00 0.00 0.00 54.97 55.61 1u2g s GLU 13 Cb 0.00 -3.86 0.02 0.00 2.00 0.00 0.00 34.13 32.29 1u2g s GLU 13 CO 0.00 -1.16 0.78 -0.25 -0.56 0.00 0.00 175.26 174.07 1u2g n ASP 14 N 7.23 1.56 -4.83 -1.70 8.00 -1.26 -4.77 116.55 120.77 1u2g n ASP 14 Ca 0.09 -1.28 -0.30 0.00 0.71 0.00 0.00 54.79 54.01 1u2g n ASP 14 Cb 0.48 0.37 0.06 0.00 -0.02 0.00 0.00 41.12 42.02 1u2g n ASP 14 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u2g s ARG 15 N -1.52 2.69 0.02 -1.24 0.52 -1.26 -2.75 118.95 115.41 1u2g s ARG 15 Ca 0.12 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 1u2g s ARG 15 Cb 0.11 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1u2g s ARG 15 CO 0.29 -1.21 -0.03 0.54 0.02 0.00 0.00 175.30 174.91 1u2g s VAL 16 N -3.17 0.15 -0.49 3.52 0.11 -1.26 -4.52 120.40 114.75 1u2g s VAL 16 Ca 0.59 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1u2g s VAL 16 Cb -0.13 -0.29 0.10 0.00 -1.53 0.00 0.00 36.38 34.53 1u2g s VAL 16 CO 0.54 -0.48 2.67 0.00 -3.33 0.00 0.00 175.10 174.49 1u2g n ALA 17 N 1.60 6.41 -3.47 1.54 0.00 -1.26 -4.60 120.51 120.73 1u2g n ALA 17 Ca -0.24 -3.10 -0.11 0.00 0.00 0.00 0.00 53.44 49.98 1u2g n ALA 17 Cb 0.55 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 1u2g n ALA 17 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1u2g s ILE 18 N -2.55 0.00 0.09 0.00 1.10 -1.26 -4.72 121.20 113.86 1u2g s ILE 18 Ca 0.57 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.63 1u2g s ILE 18 Cb 0.39 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 41.99 1u2g s ILE 18 CO -0.23 0.00 0.18 -0.94 -2.11 0.00 0.00 174.94 171.84 1u2g s SER 19 N -2.32 0.14 0.26 4.50 1.04 -1.26 -4.45 113.70 111.61 1u2g s SER 19 Ca 0.01 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1u2g s SER 19 Cb -0.01 0.34 0.49 0.00 0.10 0.00 0.00 66.02 66.94 1u2g s SER 19 CO -0.07 -0.73 1.80 -0.65 0.98 0.00 0.00 173.24 174.57 1u2g h PRO 20 N 2.76 0.76 -0.29 4.02 0.11 -1.95 -0.95 132.00 136.46 1u2g h PRO 20 Ca -0.34 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.73 1u2g h PRO 20 Cb 1.20 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1u2g h PRO 20 CO 0.57 0.50 0.18 1.49 -0.21 0.00 0.00 178.00 180.53 1u2g h GLU 21 N 0.78 0.36 -0.04 1.05 4.81 -1.97 -2.71 114.58 116.86 1u2g h GLU 21 Ca 0.45 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.54 1u2g h GLU 21 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1u2g h GLU 21 CO -0.29 0.24 -0.50 0.28 -0.73 0.00 0.00 179.01 178.00 1u2g h VAL 22 N 0.37 1.36 -0.69 0.32 2.07 -1.82 -2.48 116.25 115.38 1u2g h VAL 22 Ca 0.11 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 65.93 1u2g h VAL 22 Cb -0.02 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1u2g h VAL 22 CO -0.04 0.50 0.43 0.58 0.02 0.00 0.00 177.57 179.06 1u2g h VAL 23 N 0.09 1.08 -0.75 2.57 2.07 -0.99 -1.04 116.25 119.28 1u2g h VAL 23 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1u2g h VAL 23 Cb 0.92 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1u2g h VAL 23 CO 0.07 0.15 0.47 0.11 0.02 0.00 0.00 177.57 178.39 1u2g h LYS 24 N 0.83 1.00 -0.30 1.57 1.57 -1.13 -1.74 116.57 118.35 1u2g h LYS 24 Ca 0.28 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1u2g h LYS 24 Cb 0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1u2g h LYS 24 CO -0.12 0.68 -0.25 0.87 -0.57 0.00 0.00 179.45 180.06 1u2g h LYS 25 N 1.01 0.59 -0.25 3.15 1.79 -1.25 -2.16 116.57 119.46 1u2g h LYS 25 Ca 0.27 -0.23 -0.12 0.00 -2.18 0.00 0.00 60.65 58.39 1u2g h LYS 25 Cb -0.08 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1u2g h LYS 25 CO -0.05 0.79 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.74 1u2g h LEU 26 N 0.52 0.70 -0.78 2.94 3.38 -0.82 -2.03 115.31 119.21 1u2g h LEU 26 Ca 0.07 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1u2g h LEU 26 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1u2g h LEU 26 CO 0.05 1.05 -0.06 1.62 0.09 0.00 0.00 178.44 181.19 1u2g h VAL 27 N 0.36 1.26 -0.02 1.22 3.04 -1.34 -1.63 116.25 119.15 1u2g h VAL 27 Ca 0.03 -1.14 -0.01 0.00 -1.01 0.00 0.00 66.70 64.58 1u2g h VAL 27 Cb 0.87 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 1u2g h VAL 27 CO 0.07 0.40 -0.04 1.23 -1.01 0.00 0.00 177.57 178.22 1u2g h GLY 28 N 0.98 0.02 2.00 3.17 0.00 -1.34 -1.71 103.07 106.20 1u2g h GLY 28 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1u2g h GLY 28 CO 0.03 0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1u2g n LEU 29 N -4.48 0.82 0.00 3.11 4.77 -0.77 -4.93 117.00 115.53 1u2g n LEU 29 Ca -0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1u2g n LEU 29 Cb 0.13 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1u2g n LEU 29 CO 0.35 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1u2g n GLY 30 N 1.11 1.14 3.82 -0.72 0.00 -0.64 -4.79 105.19 105.11 1u2g n GLY 30 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1u2g n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2g s PHE 31 N -2.00 3.48 -0.40 1.61 0.40 -0.66 -4.64 117.98 115.77 1u2g s PHE 31 Ca 0.00 1.47 -0.22 0.00 -0.60 0.00 0.00 56.93 57.58 1u2g s PHE 31 Cb 0.00 -2.71 0.01 0.00 0.51 0.00 0.00 43.02 40.83 1u2g s PHE 31 CO 0.00 0.12 0.69 -1.21 0.70 0.00 0.00 175.22 175.52 1u2g s GLU 32 N -2.64 3.54 -0.18 0.44 2.02 -0.71 -4.15 118.70 117.02 1u2g s GLU 32 Ca 0.53 -0.04 -0.21 0.00 0.02 0.00 0.00 54.97 55.28 1u2g s GLU 32 Cb -0.13 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.20 1u2g s GLU 32 CO 0.18 -0.90 0.61 0.08 0.02 0.00 0.00 175.26 175.25 1u2g s VAL 33 N 2.93 5.05 -0.05 2.63 1.01 -1.26 -1.13 120.40 129.57 1u2g s VAL 33 Ca 0.26 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1u2g s VAL 33 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1u2g s VAL 33 CO 0.18 0.15 -0.22 -0.63 0.00 0.00 0.00 175.10 174.58 1u2g s ILE 34 N 1.68 1.79 -0.00 2.22 1.01 0.13 -1.07 121.20 126.97 1u2g s ILE 34 Ca 0.29 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1u2g s ILE 34 Cb -0.16 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 1u2g s ILE 34 CO 0.11 0.50 -0.02 0.54 0.00 0.00 0.00 174.94 176.07 1u2g s VAL 35 N -0.06 0.17 0.45 2.92 0.11 -0.47 -1.04 120.40 122.48 1u2g s VAL 35 Ca -0.04 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.67 1u2g s VAL 35 Cb -0.13 -0.16 -0.08 0.00 -1.53 0.00 0.00 36.38 34.48 1u2g s VAL 35 CO 0.03 0.05 1.36 -0.70 -3.33 0.00 0.00 175.10 172.52 1u2g s GLU 36 N -0.01 3.72 0.28 1.54 2.12 -0.79 -2.28 118.70 123.27 1u2g s GLU 36 Ca 0.00 2.27 -0.30 0.00 0.36 0.00 0.00 54.97 57.31 1u2g s GLU 36 Cb -0.01 -2.63 -0.10 0.00 0.26 0.00 0.00 34.13 31.65 1u2g s GLU 36 CO -0.00 -0.74 1.42 1.14 -0.54 0.00 0.00 175.26 176.54 1u2g s GLN 37 N -2.45 4.27 0.00 4.30 -2.07 0.14 -2.31 119.66 121.53 1u2g s GLN 37 Ca 0.61 2.32 0.00 0.00 -1.82 0.00 0.00 55.36 56.47 1u2g s GLN 37 Cb -0.41 -3.09 0.00 0.00 -1.09 0.00 0.00 33.01 28.43 1u2g s GLN 37 CO 0.52 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.51 1u2g n GLY 38 N 1.73 0.94 0.28 2.60 0.00 -1.26 -4.92 105.19 104.56 1u2g n GLY 38 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1u2g n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g h ALA 39 N 0.00 1.68 -0.45 4.61 0.00 -1.80 -2.97 119.26 120.33 1u2g h ALA 39 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u2g h ALA 39 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u2g h ALA 39 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1u2g n GLY 40 N -1.28 1.95 0.32 0.00 0.00 -1.25 -4.59 105.19 100.33 1u2g n GLY 40 Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 1u2g n GLY 40 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u2g h VAL 41 N 3.86 1.24 0.00 1.61 2.07 -1.51 0.44 116.25 123.96 1u2g h VAL 41 Ca 0.00 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1u2g h VAL 41 Cb 0.91 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1u2g h VAL 41 CO 0.00 0.26 -0.14 1.23 0.02 0.00 0.00 177.57 178.95 1u2g h GLY 42 N 1.10 0.00 -3.15 2.17 0.00 -1.81 -2.12 103.07 99.25 1u2g h GLY 42 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1u2g h GLY 42 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.50 1u2g n ALA 43 N -2.40 3.26 -3.09 3.60 0.00 -0.58 -4.48 120.51 116.81 1u2g n ALA 43 Ca -0.02 -1.62 -0.22 0.00 0.00 0.00 0.00 53.44 51.57 1u2g n ALA 43 Cb 0.22 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.65 1u2g n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u2g n SER 44 N 1.02 -5.60 -4.12 0.00 7.64 -0.75 -4.34 113.62 107.48 1u2g n SER 44 Ca 0.26 -0.30 -0.34 0.00 1.01 0.00 0.00 58.87 59.49 1u2g n SER 44 Cb 0.94 -4.54 -0.13 0.00 -1.01 0.00 0.00 64.21 59.47 1u2g n SER 44 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1u2g s ILE 45 N -3.12 2.85 0.67 0.44 1.01 0.14 -4.99 121.20 118.21 1u2g s ILE 45 Ca 0.32 -1.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 1u2g s ILE 45 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1u2g s ILE 45 CO 0.40 -0.36 1.06 0.42 0.00 0.00 0.00 174.94 176.46 1u2g s THR 46 N 1.14 4.11 0.27 2.92 -4.23 -1.26 -3.29 115.64 115.30 1u2g s THR 46 Ca 0.01 0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 1u2g s THR 46 Cb -0.21 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1u2g s THR 46 CO -0.04 -0.90 1.90 0.44 -0.54 0.00 0.00 174.62 175.48 1u2g h ASP 47 N -0.56 0.99 -0.94 3.99 3.32 -1.97 -2.38 116.42 118.87 1u2g h ASP 47 Ca -0.44 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.53 1u2g h ASP 47 Cb 1.22 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 1u2g h ASP 47 CO 0.61 0.79 0.61 0.44 -1.72 0.00 0.00 179.24 179.97 1u2g h ASP 48 N 1.12 1.09 -0.53 6.45 3.45 -1.99 -1.59 116.42 124.41 1u2g h ASP 48 Ca 0.28 -0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.64 1u2g h ASP 48 Cb 0.02 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.49 1u2g h ASP 48 CO -0.05 0.80 0.11 0.00 -1.57 0.00 0.00 179.24 178.53 1u2g h ALA 49 N 1.40 1.10 -0.18 3.45 0.00 -1.81 -2.33 119.26 120.89 1u2g h ALA 49 Ca 0.34 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1u2g h ALA 49 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1u2g h ALA 49 CO -0.07 0.59 -0.44 -0.07 0.00 0.00 0.00 179.25 179.26 1u2g h LEU 50 N 0.87 0.69 -1.09 0.00 4.07 -1.21 -3.16 115.31 115.49 1u2g h LEU 50 Ca 0.18 -0.57 -0.02 0.00 0.08 0.00 0.00 57.88 57.55 1u2g h LEU 50 Cb 0.36 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1u2g h LEU 50 CO 0.01 1.14 0.33 0.71 -1.08 0.00 0.00 178.44 179.55 1u2g h THR 51 N 0.28 1.22 0.00 0.22 1.35 -1.24 -1.85 112.91 112.88 1u2g h THR 51 Ca -0.01 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 1u2g h THR 51 Cb 1.05 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1u2g h THR 51 CO 0.10 0.26 -0.11 0.00 -0.25 0.00 0.00 175.52 175.52 1u2g h ALA 52 N 1.39 1.29 -0.01 6.62 0.00 -1.44 -1.56 119.26 125.55 1u2g h ALA 52 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u2g h ALA 52 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u2g h ALA 52 CO -0.03 0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.25 1u2g n ALA 53 N -2.28 2.78 0.00 0.00 0.00 -0.81 -4.93 120.51 115.28 1u2g n ALA 53 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1u2g n ALA 53 Cb 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1u2g n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2g n GLY 54 N 1.24 1.11 3.87 0.00 0.00 -0.59 -3.83 105.19 106.99 1u2g n GLY 54 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1u2g n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 55 N -2.00 3.42 -0.11 4.61 0.00 -0.76 -4.63 121.76 122.29 1u2g s ALA 55 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1u2g s ALA 55 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1u2g s ALA 55 CO 0.00 0.22 0.10 0.99 0.00 0.00 0.00 175.76 177.07 1u2g s THR 56 N -2.12 5.14 -0.31 0.00 2.01 -0.23 -4.10 115.64 116.03 1u2g s THR 56 Ca 0.50 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.45 1u2g s THR 56 Cb -0.10 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1u2g s THR 56 CO 0.25 0.61 0.26 -0.63 -0.69 0.00 0.00 174.62 174.42 1u2g s ILE 57 N -0.93 5.26 0.10 1.82 -1.09 -1.26 -1.37 121.20 123.73 1u2g s ILE 57 Ca 0.14 0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.45 1u2g s ILE 57 Cb -0.12 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.02 1u2g s ILE 57 CO 0.03 0.08 0.53 0.00 -1.23 0.00 0.00 174.94 174.36 1u2g s ALA 58 N 1.83 3.60 -0.28 9.38 0.00 -0.97 -4.91 121.76 130.41 1u2g s ALA 58 Ca 0.08 -0.10 0.21 0.00 0.00 0.00 0.00 51.96 52.16 1u2g s ALA 58 Cb -0.17 -2.53 0.34 0.00 0.00 0.00 0.00 23.12 20.76 1u2g s ALA 58 CO 0.11 0.44 1.59 0.66 0.00 0.00 0.00 175.76 178.56 1u2g h SER 59 N 4.01 0.00 -4.43 0.00 4.64 -1.96 0.42 113.55 116.23 1u2g h SER 59 Ca -0.49 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.54 1u2g h SER 59 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 1u2g h SER 59 CO 0.64 0.18 -0.68 0.42 -0.87 0.00 0.00 176.83 176.52 1u2g s THR 60 N -3.18 0.77 0.16 2.95 -4.23 -1.26 -4.64 115.64 106.21 1u2g s THR 60 Ca 0.05 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 1u2g s THR 60 Cb 0.06 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.97 1u2g s THR 60 CO 0.69 -0.60 1.76 0.00 -0.54 0.00 0.00 174.62 175.93 1u2g h ALA 61 N 2.76 0.69 -0.65 3.99 0.00 -1.97 -2.05 119.26 122.03 1u2g h ALA 61 Ca -0.36 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1u2g h ALA 61 Cb 1.19 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1u2g h ALA 61 CO 0.63 0.24 0.39 0.00 0.00 0.00 0.00 179.25 180.52 1u2g h ALA 62 N 1.11 0.86 -0.39 0.00 0.00 -1.97 -1.81 119.26 117.06 1u2g h ALA 62 Ca 0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1u2g h ALA 62 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u2g h ALA 62 CO -0.03 0.13 -0.33 1.96 0.00 0.00 0.00 179.25 180.98 1u2g h GLN 63 N 0.76 0.87 -0.59 0.00 4.20 -1.94 -0.89 115.11 117.52 1u2g h GLN 63 Ca 0.27 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1u2g h GLN 63 Cb 0.07 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1u2g h GLN 63 CO -0.13 1.07 0.37 0.00 -0.67 0.00 0.00 178.83 179.48 1u2g h ALA 64 N 0.89 0.75 0.00 3.87 0.00 -1.04 -3.18 119.26 120.55 1u2g h ALA 64 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u2g h ALA 64 Cb 0.90 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u2g h ALA 64 CO 0.08 0.14 -0.75 1.28 0.00 0.00 0.00 179.25 180.00 1u2g n LEU 65 N -4.71 0.64 -0.13 0.00 4.32 -0.71 -4.51 117.00 111.90 1u2g n LEU 65 Ca 0.05 0.10 -0.05 0.00 -0.02 0.00 0.00 56.01 56.09 1u2g n LEU 65 Cb 0.05 -0.16 0.02 0.00 -1.62 0.00 0.00 43.42 41.70 1u2g n LEU 65 CO 0.34 0.01 0.73 0.77 -1.22 0.00 0.00 177.39 178.01 1u2g h SER 66 N 0.00 -0.64 -0.38 -1.43 4.64 -1.14 -2.79 113.55 111.81 1u2g h SER 66 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1u2g h SER 66 Cb 0.70 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1u2g h SER 66 CO 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 176.83 175.74 1u2g n GLN 67 N -5.38 2.44 -2.45 4.77 6.02 -1.26 -4.55 117.38 116.98 1u2g n GLN 67 Ca 0.03 -2.08 -0.42 0.00 -0.01 0.00 0.00 57.00 54.51 1u2g n GLN 67 Cb 0.29 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 1u2g n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u2g s ALA 68 N -1.07 3.39 0.04 -1.58 0.00 -1.05 -4.67 121.76 116.81 1u2g s ALA 68 Ca 0.29 0.79 0.10 0.00 0.00 0.00 0.00 51.96 53.14 1u2g s ALA 68 Cb 0.16 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.62 1u2g s ALA 68 CO 0.22 -0.48 1.02 -0.44 0.00 0.00 0.00 175.76 176.08 1u2g h ASP 69 N 6.93 0.00 -3.85 0.00 3.32 -1.38 -3.41 116.42 118.03 1u2g h ASP 69 Ca -0.40 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.01 1u2g h ASP 69 Cb 1.21 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.44 1u2g h ASP 69 CO 0.82 0.97 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.75 1u2g s VAL 70 N -2.68 1.78 -0.11 -1.35 1.01 -0.82 -0.30 120.40 117.93 1u2g s VAL 70 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1u2g s VAL 70 Cb 0.09 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1u2g s VAL 70 CO 0.82 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 175.50 1u2g s VAL 71 N 0.02 2.01 -0.11 2.92 1.01 0.16 -0.99 120.40 125.41 1u2g s VAL 71 Ca -0.06 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 1u2g s VAL 71 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1u2g s VAL 71 CO 0.04 0.55 -0.11 0.26 0.00 0.00 0.00 175.10 175.84 1u2g s TRP 72 N 0.55 2.85 0.28 5.22 0.52 -0.49 -0.95 118.94 126.92 1u2g s TRP 72 Ca -0.14 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.47 1u2g s TRP 72 Cb -0.17 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 1u2g s TRP 72 CO 0.04 -0.04 0.48 -1.59 0.02 0.00 0.00 176.95 175.86 1u2g s LYS 73 N 0.02 1.66 -0.12 4.98 -2.85 -1.05 -4.04 119.74 118.33 1u2g s LYS 73 Ca -0.03 -1.40 -0.08 0.00 -1.00 0.00 0.00 55.97 53.46 1u2g s LYS 73 Cb -0.14 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1u2g s LYS 73 CO 0.04 -0.69 -0.15 1.33 0.10 0.00 0.00 175.35 175.97 1u2g n VAL 74 N -0.43 1.18 -3.04 1.79 0.24 -1.26 -4.15 118.33 112.67 1u2g n VAL 74 Ca -0.01 0.26 -0.26 0.00 -2.04 0.00 0.00 64.34 62.29 1u2g n VAL 74 Cb 0.62 -2.24 -0.01 0.00 -1.47 0.00 0.00 33.84 30.74 1u2g n VAL 74 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1u2g s GLN 75 N -2.05 3.53 0.50 7.34 -0.21 -1.26 -0.44 119.66 127.06 1u2g s GLN 75 Ca -0.13 -0.05 -0.23 0.00 0.02 0.00 0.00 55.36 54.97 1u2g s GLN 75 Cb 0.02 -2.53 -0.07 0.00 1.00 0.00 0.00 33.01 31.43 1u2g s GLN 75 CO 0.19 -0.01 1.31 2.89 -2.12 0.00 0.00 175.29 177.56 1u2g n ARG 76 N -1.92 1.81 -2.00 2.91 1.85 -0.79 -4.77 116.66 113.74 1u2g n ARG 76 Ca -0.02 0.65 -0.38 0.00 -1.00 0.00 0.00 57.85 57.10 1u2g n ARG 76 Cb 0.55 -2.50 0.01 0.00 -1.05 0.00 0.00 32.46 29.48 1u2g n ARG 76 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1u2g s PRO 77 N -2.59 3.54 0.42 2.89 0.04 -1.26 -4.99 135.00 133.06 1u2g s PRO 77 Ca 0.67 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.54 1u2g s PRO 77 Cb -0.45 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 1u2g s PRO 77 CO 0.53 -0.82 1.09 -1.64 0.04 0.00 0.00 177.00 176.21 1u2g s MET 78 N -2.69 4.00 0.48 4.56 -1.94 -1.26 -4.85 119.30 117.60 1u2g s MET 78 Ca 0.65 1.60 0.08 0.00 -1.71 0.00 0.00 55.69 56.31 1u2g s MET 78 Cb -0.36 -2.47 0.03 0.00 2.01 0.00 0.00 34.83 34.04 1u2g s MET 78 CO 0.44 -0.30 0.55 0.95 -0.01 0.00 0.00 175.02 176.64 1u2g s THR 79 N -1.63 2.45 0.43 2.05 -4.23 -1.22 -0.67 115.64 112.81 1u2g s THR 79 Ca 0.60 -1.18 0.19 0.00 -1.18 0.00 0.00 61.69 60.12 1u2g s THR 79 Cb -0.24 -2.62 0.21 0.00 1.34 0.00 0.00 72.50 71.18 1u2g s THR 79 CO 0.30 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.37 1u2g h ALA 80 N 0.64 1.51 0.00 3.99 0.00 -1.92 -1.94 119.26 121.54 1u2g h ALA 80 Ca -0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1u2g h ALA 80 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1u2g h ALA 80 CO 0.49 0.23 -0.19 0.93 0.00 0.00 0.00 179.25 180.72 1u2g h GLU 81 N 0.00 0.00 -0.04 0.00 4.39 -1.95 -2.18 114.58 114.80 1u2g h GLU 81 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u2g h GLU 81 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1u2g h GLU 81 CO 0.02 0.19 0.00 0.39 -1.16 0.00 0.00 179.01 178.45 1u2g n GLU 82 N -3.72 1.66 -0.03 2.33 1.02 -0.74 -4.94 120.64 116.22 1u2g n GLU 82 Ca -0.02 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 1u2g n GLU 82 Cb 0.30 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1u2g n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u2g n GLY 83 N 1.16 0.83 2.58 0.62 0.00 -0.82 -4.95 105.19 104.61 1u2g n GLY 83 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1u2g n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u2g s THR 84 N -2.31 0.07 -1.17 2.61 2.01 -1.17 -4.99 115.64 110.69 1u2g s THR 84 Ca 0.00 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 1u2g s THR 84 Cb 0.00 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.56 1u2g s THR 84 CO 0.00 -0.64 1.61 -0.62 -0.69 0.00 0.00 174.62 174.28 1u2g s ASP 85 N 2.03 6.69 0.27 3.53 -1.08 -1.25 -3.40 116.67 123.46 1u2g s ASP 85 Ca 0.08 -2.00 0.13 0.00 -0.52 0.00 0.00 52.55 50.23 1u2g s ASP 85 Cb -0.16 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 38.99 1u2g s ASP 85 CO -0.30 -1.32 1.54 -0.33 0.52 0.00 0.00 175.17 175.27 1u2g h GLU 86 N 8.57 0.00 0.00 4.34 5.08 -1.18 -3.20 114.58 128.19 1u2g h GLU 86 Ca 0.34 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1u2g h GLU 86 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1u2g h GLU 86 CO 1.44 0.62 -0.36 -0.39 -1.00 0.00 0.00 179.01 179.32 1u2g h VAL 87 N 0.00 1.17 0.00 3.13 -1.51 -1.84 -2.30 116.25 114.90 1u2g h VAL 87 Ca -0.01 -1.29 -0.04 0.00 -1.23 0.00 0.00 66.70 64.13 1u2g h VAL 87 Cb 1.25 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 1u2g h VAL 87 CO 0.08 0.36 -0.21 0.00 -1.23 0.00 0.00 177.57 176.57 1u2g h ALA 88 N 1.64 1.66 0.00 5.19 0.00 -1.88 -2.29 119.26 123.58 1u2g h ALA 88 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1u2g h ALA 88 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1u2g h ALA 88 CO 0.05 0.26 -0.40 -0.07 0.00 0.00 0.00 179.25 179.09 1u2g h LEU 89 N 0.00 0.00 -9.64 0.00 4.07 -1.53 -3.44 115.31 104.78 1u2g h LEU 89 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 1u2g h LEU 89 Cb 0.36 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.11 1u2g h LEU 89 CO 0.03 0.40 0.52 -0.63 -1.08 0.00 0.00 178.44 177.68 1u2g s ILE 90 N -4.03 3.77 0.48 1.22 1.01 -0.86 -4.23 121.20 118.56 1u2g s ILE 90 Ca -0.02 1.47 -0.23 0.00 0.00 0.00 0.00 60.65 61.87 1u2g s ILE 90 Cb 0.14 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 1u2g s ILE 90 CO 0.72 0.23 1.19 -0.75 0.00 0.00 0.00 174.94 176.32 1u2g s LYS 91 N -0.12 3.65 0.27 2.79 2.20 -1.26 -4.98 119.74 122.29 1u2g s LYS 91 Ca 0.52 1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 1u2g s LYS 91 Cb -0.31 -2.36 -0.10 0.00 -1.51 0.00 0.00 37.83 33.55 1u2g s LYS 91 CO 0.35 -0.66 1.41 -1.21 -0.36 0.00 0.00 175.35 174.88 1u2g s GLU 92 N -2.76 4.28 0.00 4.03 2.02 -1.26 -2.48 118.70 122.53 1u2g s GLU 92 Ca 0.65 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.92 1u2g s GLU 92 Cb -0.30 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1u2g s GLU 92 CO 0.36 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1u2g n GLY 93 N 1.86 1.61 3.77 -1.39 0.00 -1.10 -5.00 105.19 104.93 1u2g n GLY 93 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1u2g n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 94 N -2.88 1.68 -0.13 4.61 0.00 -1.04 -4.66 121.76 119.34 1u2g s ALA 94 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1u2g s ALA 94 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1u2g s ALA 94 CO 0.00 -2.34 -0.07 0.08 0.00 0.00 0.00 175.76 173.43 1u2g s VAL 95 N -3.23 3.60 -0.11 0.00 1.01 0.59 -1.32 120.40 120.93 1u2g s VAL 95 Ca 0.64 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1u2g s VAL 95 Cb -0.15 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1u2g s VAL 95 CO 0.54 0.52 -0.17 -0.22 0.00 0.00 0.00 175.10 175.77 1u2g s LEU 96 N 0.18 2.52 -0.14 3.92 2.96 0.05 0.37 118.68 128.55 1u2g s LEU 96 Ca -0.04 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1u2g s LEU 96 Cb -0.14 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1u2g s LEU 96 CO 0.04 0.18 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.06 1u2g s MET 97 N 0.26 2.22 0.19 1.98 -1.94 -0.12 -0.64 119.30 121.25 1u2g s MET 97 Ca -0.12 -0.54 -0.22 0.00 -1.71 0.00 0.00 55.69 53.10 1u2g s MET 97 Cb -0.16 -2.01 0.07 0.00 2.01 0.00 0.00 34.83 34.74 1u2g s MET 97 CO 0.06 -0.19 1.00 0.00 -0.01 0.00 0.00 175.02 175.88 1u2g s HIS 99 N -2.44 2.22 -0.14 0.00 5.65 0.41 -1.58 115.29 119.40 1u2g s HIS 99 Ca 0.19 -0.11 0.16 0.00 0.25 0.00 0.00 55.06 55.55 1u2g s HIS 99 Cb -0.02 -4.50 -0.05 0.00 -1.18 0.00 0.00 32.58 26.82 1u2g s HIS 99 CO 0.05 -2.02 1.08 1.25 -0.65 0.00 0.00 174.74 174.45 1u2g h LEU 100 N 14.05 0.00 0.26 8.88 6.46 -1.88 -2.10 115.31 140.98 1u2g h LEU 100 Ca -0.07 0.00 -0.41 0.00 -0.12 0.00 0.00 57.88 57.28 1u2g h LEU 100 Cb 1.05 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 41.01 1u2g h LEU 100 CO 1.31 0.51 -0.63 0.61 -0.62 0.00 0.00 178.44 179.62 1u2g n GLY 101 N 1.32 -0.52 0.35 3.75 0.00 -1.26 -4.63 105.19 104.19 1u2g n GLY 101 Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1u2g n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g h ALA 102 N 1.00 1.48 0.00 4.61 0.00 -1.92 -1.45 119.26 122.97 1u2g h ALA 102 Ca -0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1u2g h ALA 102 Cb 1.35 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1u2g h ALA 102 CO 0.58 0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 180.17 1u2g h LEU 103 N 1.01 0.00 -1.65 0.00 3.38 -2.00 -3.05 115.31 113.01 1u2g h LEU 103 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1u2g h LEU 103 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1u2g h LEU 103 CO -0.07 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1u2g n THR 104 N -3.13 0.06 -3.21 0.22 -2.24 -0.84 -4.76 114.28 100.37 1u2g n THR 104 Ca 0.02 -0.53 -0.24 0.00 -2.27 0.00 0.00 64.05 61.03 1u2g n THR 104 Cb 0.43 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 1u2g n THR 104 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1u2g n ASN 105 N 0.83 0.64 -0.22 3.42 3.02 -0.61 -4.97 115.26 117.37 1u2g n ASN 105 Ca 0.09 -2.80 -0.02 0.00 -0.03 0.00 0.00 54.58 51.82 1u2g n ASN 105 Cb 0.37 -0.64 0.17 0.00 -0.61 0.00 0.00 39.78 39.08 1u2g n ASN 105 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1u2g h ARG 106 N 3.95 1.01 -0.86 3.52 2.43 -1.86 -3.09 114.38 119.49 1u2g h ARG 106 Ca 0.09 -0.14 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1u2g h ARG 106 Cb 0.86 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.16 1u2g h ARG 106 CO 0.51 0.78 0.56 -1.35 -1.51 0.00 0.00 179.97 178.95 1u2g h PRO 107 N 1.01 0.58 -0.07 0.20 0.11 -1.93 0.50 132.00 132.41 1u2g h PRO 107 Ca 0.25 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.17 1u2g h PRO 107 Cb 0.10 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1u2g h PRO 107 CO -0.03 0.39 -0.62 -0.24 -0.21 0.00 0.00 178.00 177.28 1u2g h VAL 108 N 0.60 1.39 -0.25 3.15 3.04 -1.92 -1.72 116.25 120.55 1u2g h VAL 108 Ca 0.43 -2.03 -0.04 0.00 -1.01 0.00 0.00 66.70 64.05 1u2g h VAL 108 Cb 0.78 2.03 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1u2g h VAL 108 CO -0.18 0.60 -0.02 0.58 -1.01 0.00 0.00 177.57 177.54 1u2g h VAL 109 N 0.18 1.26 -0.11 1.51 2.07 -1.21 -1.93 116.25 118.02 1u2g h VAL 109 Ca -0.01 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1u2g h VAL 109 Cb 1.14 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1u2g h VAL 109 CO 0.10 0.30 -0.10 -0.33 0.02 0.00 0.00 177.57 177.56 1u2g h GLU 110 N 0.21 -0.11 -0.89 1.57 5.08 -0.94 -1.80 114.58 117.70 1u2g h GLU 110 Ca 0.07 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1u2g h GLU 110 Cb 0.44 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1u2g h GLU 110 CO 0.02 -0.07 0.49 0.00 -1.00 0.00 0.00 179.01 178.44 1u2g h ALA 111 N 0.96 1.14 -0.61 3.43 0.00 -1.25 -1.79 119.26 121.15 1u2g h ALA 111 Ca 0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1u2g h ALA 111 Cb 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1u2g h ALA 111 CO -0.18 0.64 0.10 -0.07 0.00 0.00 0.00 179.25 179.74 1u2g h LEU 112 N 1.24 0.93 -1.41 0.00 3.38 -1.28 -3.01 115.31 115.17 1u2g h LEU 112 Ca 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1u2g h LEU 112 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1u2g h LEU 112 CO -0.05 0.93 0.01 0.74 0.09 0.00 0.00 178.44 180.16 1u2g h THR 113 N 0.93 1.16 -0.51 0.22 2.02 -0.51 -2.21 112.91 114.00 1u2g h THR 113 Ca 0.19 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1u2g h THR 113 Cb 0.40 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1u2g h THR 113 CO 0.01 0.21 0.25 0.11 0.37 0.00 0.00 175.52 176.47 1u2g h LYS 114 N 0.38 0.71 -0.56 6.66 1.57 -1.23 -2.03 116.57 122.07 1u2g h LYS 114 Ca 0.09 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1u2g h LYS 114 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1u2g h LYS 114 CO 0.01 0.55 0.00 0.54 -0.57 0.00 0.00 179.45 179.98 1u2g n ARG 115 N -4.38 2.54 -3.59 3.15 1.74 -0.88 -4.93 116.66 110.31 1u2g n ARG 115 Ca 0.04 -1.70 -0.27 0.00 -0.77 0.00 0.00 57.85 55.15 1u2g n ARG 115 Cb 0.12 -1.58 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 1u2g n ARG 115 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u2g n LYS 116 N 0.63 -4.90 -3.23 5.56 5.02 -0.76 -2.71 118.16 117.77 1u2g n LYS 116 Ca 0.15 0.63 -0.39 0.00 -2.02 0.00 0.00 58.31 56.69 1u2g n LYS 116 Cb 0.55 -5.47 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 1u2g n LYS 116 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u2g s ILE 117 N -3.17 5.04 -0.34 -0.18 1.01 -0.93 -2.85 121.20 119.78 1u2g s ILE 117 Ca 0.52 1.16 -0.23 0.00 0.00 0.00 0.00 60.65 62.10 1u2g s ILE 117 Cb -0.26 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1u2g s ILE 117 CO 0.65 0.36 0.79 -0.89 0.00 0.00 0.00 174.94 175.85 1u2g s THR 118 N 0.25 4.75 -0.12 2.92 2.01 -0.43 -4.30 115.64 120.72 1u2g s THR 118 Ca 0.30 1.03 -0.00 0.00 0.31 0.00 0.00 61.69 63.33 1u2g s THR 118 Cb -0.17 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 1u2g s THR 118 CO 0.15 -0.36 -0.12 0.00 -0.69 0.00 0.00 174.62 173.61 1u2g s ALA 119 N 3.05 2.70 -0.30 7.40 0.00 -0.87 -0.77 121.76 132.98 1u2g s ALA 119 Ca 0.32 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1u2g s ALA 119 Cb -0.14 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1u2g s ALA 119 CO 0.15 0.31 0.04 0.71 0.00 0.00 0.00 175.76 176.97 1u2g s TYR 120 N 0.13 3.18 -0.56 0.00 2.02 0.18 -1.43 117.35 120.87 1u2g s TYR 120 Ca -0.05 -1.42 -0.26 0.00 -0.37 0.00 0.00 57.07 54.97 1u2g s TYR 120 Cb -0.15 -2.19 0.04 0.00 -0.40 0.00 0.00 41.96 39.26 1u2g s TYR 120 CO 0.04 -0.70 1.04 0.00 -1.57 0.00 0.00 175.55 174.37 1u2g s ALA 121 N 1.38 3.09 0.46 3.71 0.00 0.07 -3.07 121.76 127.41 1u2g s ALA 121 Ca -0.01 -1.07 0.17 0.00 0.00 0.00 0.00 51.96 51.05 1u2g s ALA 121 Cb -0.18 -3.86 1.15 0.00 0.00 0.00 0.00 23.12 20.23 1u2g s ALA 121 CO 0.00 -2.50 2.04 0.52 0.00 0.00 0.00 175.76 175.83 1u2g h MET 122 N 9.41 0.00 0.00 0.00 0.00 -1.59 -2.08 114.93 120.67 1u2g h MET 122 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.44 1u2g h MET 122 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.67 1u2g h MET 122 CO 1.13 0.14 0.00 1.05 0.00 0.00 0.00 176.91 179.23 1u2g h GLU 123 N 0.00 0.00 -0.62 1.72 9.09 -1.91 -2.50 114.58 120.35 1u2g h GLU 123 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1u2g h GLU 123 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1u2g h GLU 123 CO 0.02 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.36 1u2g n LEU 124 N -3.02 3.11 -4.70 3.06 4.77 -0.78 -4.95 117.00 114.48 1u2g n LEU 124 Ca -0.01 -1.57 -0.44 0.00 -0.03 0.00 0.00 56.01 53.97 1u2g n LEU 124 Cb 0.20 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1u2g n LEU 124 CO 0.24 0.51 1.24 0.80 -1.33 0.00 0.00 177.39 178.85 1u2g n MET 125 N 0.52 2.46 -2.15 3.23 1.56 -0.94 -4.24 117.12 117.56 1u2g n MET 125 Ca 0.15 0.88 -0.38 0.00 -0.27 0.00 0.00 57.70 58.09 1u2g n MET 125 Cb 0.61 -2.67 0.00 0.00 2.15 0.00 0.00 33.22 33.31 1u2g n MET 125 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1u2g s PRO 126 N 0.57 3.68 -1.31 2.12 0.04 -1.26 -4.90 135.00 133.93 1u2g s PRO 126 Ca 0.73 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 1u2g s PRO 126 Cb -0.58 -2.44 0.14 0.00 0.04 0.00 0.00 34.50 31.66 1u2g s PRO 126 CO 0.39 -0.65 1.90 0.54 0.04 0.00 0.00 177.00 179.22 1u2g n ARG 127 N -0.48 3.42 -4.35 4.56 1.74 -1.26 -4.73 116.66 115.56 1u2g n ARG 127 Ca 0.07 -3.36 -0.23 0.00 -0.77 0.00 0.00 57.85 53.56 1u2g n ARG 127 Cb 0.47 -3.04 -0.12 0.00 -1.02 0.00 0.00 32.46 28.76 1u2g n ARG 127 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1u2g s ILE 128 N 1.24 1.93 0.27 0.55 -4.36 -1.26 -5.05 121.20 114.52 1u2g s ILE 128 Ca 0.42 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1u2g s ILE 128 Cb 0.09 -1.86 0.27 0.00 1.25 0.00 0.00 42.46 42.21 1u2g s ILE 128 CO -0.01 -0.22 1.84 0.28 0.24 0.00 0.00 174.94 177.07 1u2g h SER 129 N 3.39 0.91 -0.29 4.36 0.02 -2.03 -1.04 113.55 118.87 1u2g h SER 129 Ca -0.44 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 60.63 1u2g h SER 129 Cb 1.20 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1u2g h SER 129 CO 0.48 0.51 0.23 -0.09 -1.14 0.00 0.00 176.83 176.82 1u2g h ARG 130 N 1.00 0.00 -0.56 3.45 2.43 -1.96 -2.88 114.38 115.85 1u2g h ARG 130 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1u2g h ARG 130 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1u2g h ARG 130 CO -0.24 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.22 1u2g n ALA 131 N -2.52 2.29 0.18 2.80 0.00 -0.40 -4.42 120.51 118.44 1u2g n ALA 131 Ca 0.04 -1.23 0.04 0.00 0.00 0.00 0.00 53.44 52.30 1u2g n ALA 131 Cb 0.39 -0.71 0.47 0.00 0.00 0.00 0.00 19.45 19.61 1u2g n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u2g h GLN 132 N 3.30 0.11 0.00 0.00 4.20 -1.48 -1.80 115.11 119.44 1u2g h GLN 132 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1u2g h GLN 132 Cb 0.88 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1u2g h GLN 132 CO 0.00 0.24 0.00 -1.13 -0.67 0.00 0.00 178.83 177.27 1u2g n SER 133 N -4.34 0.53 -0.71 1.46 3.41 -1.26 -3.13 113.62 109.58 1u2g n SER 133 Ca -0.02 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 1u2g n SER 133 Cb 0.23 -0.72 0.13 0.00 -0.26 0.00 0.00 64.21 63.59 1u2g n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1u2g n MET 134 N -2.04 1.91 -3.14 4.33 2.81 -0.69 -4.09 117.12 116.22 1u2g n MET 134 Ca 0.04 -1.79 -0.44 0.00 -1.81 0.00 0.00 57.70 53.70 1u2g n MET 134 Cb 0.29 -1.32 -0.06 0.00 -0.71 0.00 0.00 33.22 31.42 1u2g n MET 134 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1u2g s ASP 135 N -1.11 6.23 0.39 7.83 2.15 -1.13 -4.76 116.67 126.26 1u2g s ASP 135 Ca 0.24 -0.92 0.21 0.00 0.43 0.00 0.00 52.55 52.51 1u2g s ASP 135 Cb 0.14 -2.30 0.42 0.00 -0.30 0.00 0.00 42.92 40.88 1u2g s ASP 135 CO 0.19 -0.93 1.62 0.16 -0.17 0.00 0.00 175.17 176.04 1u2g h ILE 136 N 5.88 0.42 -0.45 4.11 3.07 -1.91 -2.93 117.51 125.70 1u2g h ILE 136 Ca -0.28 -1.44 -0.03 0.00 1.55 0.00 0.00 64.86 64.66 1u2g h ILE 136 Cb 1.09 2.08 -0.02 0.00 -0.27 0.00 0.00 36.82 39.70 1u2g h ILE 136 CO 0.98 0.22 0.15 -0.07 -1.05 0.00 0.00 178.15 178.39 1u2g h LEU 137 N 0.00 0.64 0.15 0.16 4.07 -1.91 -2.51 115.31 115.91 1u2g h LEU 137 Ca -0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 1u2g h LEU 137 Cb 1.06 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1u2g h LEU 137 CO 0.03 0.66 -0.07 -1.28 -1.08 0.00 0.00 178.44 176.69 1u2g h SER 138 N 0.58 -0.17 -0.71 -0.43 0.87 -1.95 -2.55 113.55 109.19 1u2g h SER 138 Ca 0.15 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 1u2g h SER 138 Cb 0.24 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1u2g h SER 138 CO -0.01 0.24 0.35 0.77 -0.53 0.00 0.00 176.83 177.65 1u2g h SER 139 N -0.62 0.92 0.13 6.23 4.64 -1.57 -1.60 113.55 121.68 1u2g h SER 139 Ca -0.02 -0.13 -0.23 0.00 -0.47 0.00 0.00 61.79 60.94 1u2g h SER 139 Cb 0.47 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1u2g h SER 139 CO 0.03 0.78 -0.98 1.56 -0.87 0.00 0.00 176.83 177.35 1u2g h GLN 140 N 0.98 0.43 0.00 4.77 1.08 -1.55 -3.24 115.11 117.59 1u2g h GLN 140 Ca 0.24 -0.64 -0.07 0.00 -1.45 0.00 0.00 58.65 56.73 1u2g h GLN 140 Cb 0.10 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1u2g h GLN 140 CO -0.03 1.28 -0.35 0.66 -0.95 0.00 0.00 178.83 179.44 1u2g h SER 141 N -0.10 0.00 -0.34 1.46 4.64 -1.46 -2.57 113.55 115.19 1u2g h SER 141 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1u2g h SER 141 Cb 1.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 1u2g h SER 141 CO 0.19 0.35 0.19 -1.13 -0.87 0.00 0.00 176.83 175.56 1u2g h ASN 142 N 0.00 0.42 0.48 4.97 -0.73 -1.35 -1.79 115.58 117.57 1u2g h ASN 142 Ca -0.00 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.01 1u2g h ASN 142 Cb 0.72 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 1u2g h ASN 142 CO 0.05 0.37 -0.37 -0.07 -0.37 0.00 0.00 177.43 177.04 1u2g h LEU 143 N 0.43 0.00 -0.79 0.34 3.38 -1.55 -2.76 115.31 114.35 1u2g h LEU 143 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1u2g h LEU 143 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1u2g h LEU 143 CO -0.02 0.37 -0.07 0.00 0.09 0.00 0.00 178.44 178.80 1u2g h ALA 144 N 1.63 0.98 -0.44 1.53 0.00 -1.11 -0.31 119.26 121.55 1u2g h ALA 144 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1u2g h ALA 144 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1u2g h ALA 144 CO 0.05 0.61 0.11 0.78 0.00 0.00 0.00 179.25 180.79 1u2g h GLY 145 N 0.98 0.76 0.74 0.00 0.00 -1.06 0.31 103.07 104.79 1u2g h GLY 145 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.01 1u2g h GLY 145 CO 0.03 0.44 -0.05 -1.82 0.00 0.00 0.00 176.54 175.14 1u2g h TYR 146 N 0.58 -0.12 -0.95 5.60 3.20 -1.38 -3.13 116.97 120.76 1u2g h TYR 146 Ca 0.14 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1u2g h TYR 146 Cb 0.32 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 1u2g h TYR 146 CO 0.02 -0.08 0.62 -0.09 -1.64 0.00 0.00 178.16 176.99 1u2g h ARG 147 N -0.05 1.17 -1.00 1.82 1.12 -0.73 -2.42 114.38 114.30 1u2g h ARG 147 Ca 0.06 -0.07 0.13 0.00 -1.11 0.00 0.00 59.98 58.98 1u2g h ARG 147 Cb 0.13 -0.26 -0.09 0.00 -0.01 0.00 0.00 29.97 29.74 1u2g h ARG 147 CO -0.13 0.77 0.62 0.00 -3.11 0.00 0.00 179.97 178.13 1u2g h ALA 148 N 1.39 1.52 -0.22 2.80 0.00 -0.89 0.16 119.26 124.02 1u2g h ALA 148 Ca 0.38 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 1u2g h ALA 148 Cb -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1u2g h ALA 148 CO -0.12 0.19 -0.62 0.28 0.00 0.00 0.00 179.25 178.98 1u2g h VAL 149 N 0.96 1.28 -0.79 0.00 2.07 -1.46 -0.35 116.25 117.96 1u2g h VAL 149 Ca 0.50 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1u2g h VAL 149 Cb 0.53 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1u2g h VAL 149 CO -0.28 0.58 0.31 0.40 0.02 0.00 0.00 177.57 178.60 1u2g h ILE 150 N 0.55 1.26 -0.42 4.57 1.08 -1.05 -0.44 117.51 123.06 1u2g h ILE 150 Ca -0.02 -0.83 -0.15 0.00 -0.39 0.00 0.00 64.86 63.47 1u2g h ILE 150 Cb 1.24 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1u2g h ILE 150 CO 0.13 0.34 -0.33 0.44 -0.69 0.00 0.00 178.15 178.05 1u2g h ASP 151 N 1.15 1.02 -0.42 1.72 3.32 -0.69 -1.85 116.42 120.67 1u2g h ASP 151 Ca 0.26 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1u2g h ASP 151 Cb 0.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1u2g h ASP 151 CO -0.02 1.24 0.25 1.23 -1.72 0.00 0.00 179.24 180.22 1u2g h GLY 152 N 0.81 0.61 1.66 2.75 0.00 -0.82 -1.93 103.07 106.15 1u2g h GLY 152 Ca 0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1u2g h GLY 152 CO 0.09 0.25 -0.19 0.00 0.00 0.00 0.00 176.54 176.69 1u2g h ALA 153 N 1.11 1.25 -0.27 3.60 0.00 -1.05 -1.55 119.26 122.35 1u2g h ALA 153 Ca 0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1u2g h ALA 153 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1u2g h ALA 153 CO -0.03 0.49 -0.06 -0.92 0.00 0.00 0.00 179.25 178.74 1u2g h TYR 154 N 0.37 0.58 0.00 0.00 3.20 -1.15 -3.20 116.97 116.78 1u2g h TYR 154 Ca 0.06 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1u2g h TYR 154 Cb 0.54 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1u2g h TYR 154 CO 0.01 0.72 0.00 0.93 -1.64 0.00 0.00 178.16 178.18 1u2g h GLU 155 N 0.28 0.00 -6.53 1.82 4.39 -1.22 -3.45 114.58 109.87 1u2g h GLU 155 Ca 0.07 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.24 1u2g h GLU 155 Cb 0.53 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1u2g h GLU 155 CO 0.03 0.00 0.13 0.12 -1.16 0.00 0.00 179.01 178.13 1u2g s PHE 156 N -3.25 3.78 -2.11 4.33 5.36 -0.59 -4.99 117.98 120.51 1u2g s PHE 156 Ca 0.07 1.50 0.19 0.00 -0.96 0.00 0.00 56.93 57.73 1u2g s PHE 156 Cb 0.07 -2.68 0.52 0.00 -0.34 0.00 0.00 43.02 40.60 1u2g s PHE 156 CO 0.63 0.43 1.44 0.00 -1.46 0.00 0.00 175.22 176.26 1u2g n ALA 157 N 1.18 2.42 -2.42 11.12 0.00 -1.26 -4.87 120.51 126.68 1u2g n ALA 157 Ca -0.04 -0.97 -0.22 0.00 0.00 0.00 0.00 53.44 52.21 1u2g n ALA 157 Cb 0.50 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 1u2g n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u2g s ARG 158 N -1.33 1.53 0.46 0.00 0.52 -1.26 -5.14 118.95 113.73 1u2g s ARG 158 Ca 0.38 -1.69 -0.21 0.00 -0.52 0.00 0.00 55.73 53.69 1u2g s ARG 158 Cb 0.20 -1.49 -0.09 0.00 0.52 0.00 0.00 34.95 34.09 1u2g s ARG 158 CO 0.27 0.27 1.01 0.00 0.02 0.00 0.00 175.30 176.87 1u2g s ALA 159 N -2.71 2.95 0.04 2.13 0.00 -1.26 -5.00 121.76 117.91 1u2g s ALA 159 Ca 0.27 0.56 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 1u2g s ALA 159 Cb -0.03 -3.22 -0.17 0.00 0.00 0.00 0.00 23.12 19.70 1u2g s ALA 159 CO 0.12 -0.16 1.49 0.74 0.00 0.00 0.00 175.76 177.95 1u2g h PHE 160 N 1.81 0.04 -4.25 0.00 -1.00 -1.93 -3.34 116.94 108.27 1u2g h PHE 160 Ca -0.49 -0.01 -0.49 0.00 2.81 0.00 0.00 57.97 59.80 1u2g h PHE 160 Cb 1.21 -0.01 0.04 0.00 3.61 0.00 0.00 35.95 40.79 1u2g h PHE 160 CO 0.58 0.28 0.39 -1.25 -1.61 0.00 0.00 178.31 176.71 1u2g s PRO 161 N -5.16 3.74 0.35 1.51 0.04 -1.10 -0.77 135.00 133.61 1u2g s PRO 161 Ca -0.14 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1u2g s PRO 161 Cb 0.04 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1u2g s PRO 161 CO 0.67 -0.45 1.23 1.41 0.04 0.00 0.00 177.00 179.91 1u2g s MET 162 N -4.44 4.28 -0.08 4.56 -2.45 -1.26 -4.46 119.30 115.44 1u2g s MET 162 Ca 0.58 2.04 -0.01 0.00 -1.25 0.00 0.00 55.69 57.04 1u2g s MET 162 Cb -0.11 -2.95 0.03 0.00 1.25 0.00 0.00 34.83 33.05 1u2g s MET 162 CO 0.40 -0.19 0.00 -1.64 1.05 0.00 0.00 175.02 174.64 1u2g s MET 163 N -1.92 0.63 -0.35 4.11 -1.94 -0.87 -4.96 119.30 114.00 1u2g s MET 163 Ca 0.51 0.06 -0.14 0.00 -1.71 0.00 0.00 55.69 54.41 1u2g s MET 163 Cb -0.36 -1.09 -0.01 0.00 2.01 0.00 0.00 34.83 35.38 1u2g s MET 163 CO 0.47 -0.33 0.28 -1.64 -0.01 0.00 0.00 175.02 173.79 1u2g s MET 164 N 1.96 3.45 0.37 2.03 -1.94 -1.26 -1.88 119.30 122.03 1u2g s MET 164 Ca 0.05 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.44 1u2g s MET 164 Cb -0.13 -3.83 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 1u2g s MET 164 CO -0.06 -0.50 0.07 0.95 -0.01 0.00 0.00 175.02 175.47 1u2g s THR 165 N 1.81 1.10 0.43 2.05 -4.23 -0.90 -5.01 115.64 110.89 1u2g s THR 165 Ca 0.08 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1u2g s THR 165 Cb -0.17 -2.65 0.21 0.00 1.34 0.00 0.00 72.50 71.23 1u2g s THR 165 CO 0.11 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.20 1u2g h ALA 166 N 1.95 1.70 -0.00 3.99 0.00 -2.05 -2.69 119.26 122.15 1u2g h ALA 166 Ca -0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u2g h ALA 166 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1u2g h ALA 166 CO 0.68 0.23 -0.32 0.00 0.00 0.00 0.00 179.25 179.84 1u2g n ALA 167 N -2.50 3.20 0.00 0.00 0.00 -1.26 -5.04 120.51 114.90 1u2g n ALA 167 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1u2g n ALA 167 Cb 0.17 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1u2g n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2g n GLY 168 N 1.39 1.52 3.62 0.00 0.00 -1.01 -5.11 105.19 105.61 1u2g n GLY 168 Ca 0.10 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1u2g n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u2g s THR 169 N -1.26 3.99 -0.09 2.61 2.01 -1.26 -2.13 115.64 119.50 1u2g s THR 169 Ca 0.00 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1u2g s THR 169 Cb 0.00 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1u2g s THR 169 CO 0.00 0.60 -0.16 0.68 -0.69 0.00 0.00 174.62 175.04 1u2g s VAL 170 N -0.80 2.79 0.81 3.82 -7.23 -0.79 -5.01 120.40 113.99 1u2g s VAL 170 Ca 0.12 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 1u2g s VAL 170 Cb -0.11 -2.12 0.08 0.00 0.56 0.00 0.00 36.38 34.78 1u2g s VAL 170 CO 0.02 0.55 1.10 -2.16 -0.31 0.00 0.00 175.10 174.30 1u2g s PRO 171 N -0.02 1.99 0.79 4.82 0.04 -1.26 -2.06 135.00 139.31 1u2g s PRO 171 Ca -0.05 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.48 1u2g s PRO 171 Cb -0.14 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1u2g s PRO 171 CO 0.04 -1.67 1.09 -1.25 0.04 0.00 0.00 177.00 175.25 1u2g s PRO 172 N -5.17 2.12 0.39 0.56 0.04 -1.26 -4.48 135.00 127.20 1u2g s PRO 172 Ca 0.61 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 1u2g s PRO 172 Cb -0.14 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1u2g s PRO 172 CO 0.54 -1.73 1.04 0.00 0.04 0.00 0.00 177.00 176.89 1u2g s ALA 173 N -2.90 3.11 -0.20 8.56 0.00 0.05 -4.87 121.76 125.50 1u2g s ALA 173 Ca 0.61 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 1u2g s ALA 173 Cb -0.17 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1u2g s ALA 173 CO 0.56 -0.16 0.01 1.03 0.00 0.00 0.00 175.76 177.20 1u2g s ARG 174 N -2.44 3.65 -0.06 0.00 0.52 -1.26 -1.46 118.95 117.90 1u2g s ARG 174 Ca 0.57 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 1u2g s ARG 174 Cb -0.21 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1u2g s ARG 174 CO 0.27 0.04 -0.21 0.08 0.02 0.00 0.00 175.30 175.50 1u2g s VAL 175 N 0.95 2.43 -0.20 3.52 1.01 0.30 -0.32 120.40 128.09 1u2g s VAL 175 Ca 0.02 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1u2g s VAL 175 Cb -0.14 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1u2g s VAL 175 CO 0.02 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.34 1u2g s LEU 176 N -0.29 2.43 -0.33 3.92 0.20 -0.30 -0.29 118.68 124.02 1u2g s LEU 176 Ca 0.01 -0.90 -0.12 0.00 0.69 0.00 0.00 54.13 53.81 1u2g s LEU 176 Cb -0.13 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.25 1u2g s LEU 176 CO 0.03 -0.11 0.22 -0.69 -0.29 0.00 0.00 176.35 175.51 1u2g s VAL 177 N 1.31 5.16 -0.23 1.68 1.01 -0.33 -0.87 120.40 128.14 1u2g s VAL 177 Ca -0.01 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1u2g s VAL 177 Cb -0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1u2g s VAL 177 CO -0.09 0.02 0.47 -0.36 0.00 0.00 0.00 175.10 175.15 1u2g s PHE 178 N 1.71 3.32 0.00 5.22 0.40 0.10 -1.97 117.98 126.76 1u2g s PHE 178 Ca 0.06 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1u2g s PHE 178 Cb -0.17 -2.64 0.00 0.00 0.51 0.00 0.00 43.02 40.71 1u2g s PHE 178 CO 0.10 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.27 1u2g n GLY 179 N 4.16 -0.93 2.87 4.36 0.00 -0.57 -0.40 105.19 114.68 1u2g n GLY 179 Ca -0.06 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1u2g n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u2g n VAL 180 N 1.61 3.10 -1.00 1.61 0.31 -1.26 -4.13 118.33 118.56 1u2g n VAL 180 Ca 0.00 -5.51 0.00 0.00 -0.01 0.00 0.00 64.34 58.82 1u2g n VAL 180 Cb 0.00 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1u2g n VAL 180 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2g n GLY 181 N -0.28 1.27 0.26 2.92 0.00 -1.26 -4.72 105.19 103.39 1u2g n GLY 181 Ca 0.33 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 1u2g n GLY 181 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u2g h VAL 182 N 0.00 0.52 -0.45 1.61 2.07 -1.94 0.48 116.25 118.55 1u2g h VAL 182 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1u2g h VAL 182 Cb 0.00 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1u2g h VAL 182 CO 0.00 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.82 1u2g h ALA 183 N 0.22 0.56 -0.87 1.67 0.00 -1.88 -2.62 119.26 116.34 1u2g h ALA 183 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1u2g h ALA 183 Cb 0.45 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1u2g h ALA 183 CO -0.04 -0.12 0.57 0.78 0.00 0.00 0.00 179.25 180.44 1u2g h GLY 184 N 0.46 1.25 1.03 0.00 0.00 -1.60 -1.27 103.07 102.95 1u2g h GLY 184 Ca 0.19 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1u2g h GLY 184 CO -0.13 0.40 0.01 1.41 0.00 0.00 0.00 176.54 178.23 1u2g h LEU 185 N 1.13 0.92 -0.76 3.11 3.38 -0.73 -1.64 115.31 120.72 1u2g h LEU 185 Ca 0.34 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1u2g h LEU 185 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1u2g h LEU 185 CO -0.10 1.00 -0.58 -0.61 0.09 0.00 0.00 178.44 178.25 1u2g h GLN 186 N 0.82 0.14 -0.43 1.13 5.75 -1.22 -1.74 115.11 119.56 1u2g h GLN 186 Ca 0.15 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1u2g h GLN 186 Cb 0.52 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1u2g h GLN 186 CO 0.03 0.67 0.05 0.00 -2.65 0.00 0.00 178.83 176.93 1u2g h ALA 187 N 1.31 0.57 -0.33 3.38 0.00 -1.10 -0.27 119.26 122.82 1u2g h ALA 187 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1u2g h ALA 187 Cb 1.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1u2g h ALA 187 CO 0.08 0.30 0.14 0.82 0.00 0.00 0.00 179.25 180.60 1u2g h ILE 188 N 0.57 0.96 -0.62 0.00 2.04 -1.11 0.71 117.51 120.06 1u2g h ILE 188 Ca 0.13 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 1u2g h ILE 188 Cb 0.40 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1u2g h ILE 188 CO 0.01 0.06 0.06 0.00 0.00 0.00 0.00 178.15 178.28 1u2g h ALA 189 N 1.18 0.93 -0.12 1.87 0.00 -1.20 0.17 119.26 122.10 1u2g h ALA 189 Ca 0.14 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1u2g h ALA 189 Cb 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u2g h ALA 189 CO -0.12 0.65 -0.67 1.15 0.00 0.00 0.00 179.25 180.27 1u2g h THR 190 N 0.97 1.32 -0.52 0.00 2.02 -0.91 -2.08 112.91 113.72 1u2g h THR 190 Ca 0.19 -1.93 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 1u2g h THR 190 Cb 0.47 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1u2g h THR 190 CO 0.02 0.60 0.30 0.00 0.37 0.00 0.00 175.52 176.81 1u2g h ALA 191 N 0.50 0.66 -0.39 6.16 0.00 -0.79 -2.81 119.26 122.59 1u2g h ALA 191 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1u2g h ALA 191 Cb 1.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1u2g h ALA 191 CO 0.14 0.16 -0.23 -0.22 0.00 0.00 0.00 179.25 179.10 1u2g h LYS 192 N 0.69 0.85 0.00 0.00 3.64 -0.94 -2.68 116.57 118.14 1u2g h LYS 192 Ca 0.18 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1u2g h LYS 192 Cb 0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1u2g h LYS 192 CO -0.03 1.03 -0.23 0.07 -2.27 0.00 0.00 179.45 178.02 1u2g h ARG 193 N 0.66 0.00 0.00 1.90 0.11 -1.38 -0.67 114.38 115.01 1u2g h ARG 193 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1u2g h ARG 193 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 1u2g h ARG 193 CO 0.07 0.23 0.00 1.28 0.10 0.00 0.00 179.97 181.64 1u2g n LEU 194 N -3.78 0.29 0.00 0.08 4.77 -1.07 -4.91 117.00 112.38 1u2g n LEU 194 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1u2g n LEU 194 Cb 0.33 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1u2g n LEU 194 CO 0.34 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1u2g n GLY 195 N 0.57 1.06 3.81 -0.72 0.00 -0.26 -2.73 105.19 106.93 1u2g n GLY 195 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1u2g n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 196 N -2.00 2.97 0.01 4.61 0.00 -1.02 -4.27 121.76 122.06 1u2g s ALA 196 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1u2g s ALA 196 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1u2g s ALA 196 CO 0.00 -0.07 1.00 0.08 0.00 0.00 0.00 175.76 176.77 1u2g s VAL 197 N -2.14 4.76 -0.14 0.00 1.01 -0.54 -4.47 120.40 118.88 1u2g s VAL 197 Ca 0.64 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.61 1u2g s VAL 197 Cb -0.12 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1u2g s VAL 197 CO 0.17 0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.62 1u2g s VAL 198 N 0.98 1.42 0.22 2.92 1.01 -1.26 -0.54 120.40 125.15 1u2g s VAL 198 Ca 0.53 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1u2g s VAL 198 Cb -0.22 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1u2g s VAL 198 CO 0.28 0.41 0.22 -0.04 0.00 0.00 0.00 175.10 175.98 1u2g s MET 199 N 1.55 3.05 0.05 2.72 -1.94 0.61 -1.63 119.30 123.70 1u2g s MET 199 Ca 0.05 -0.93 -0.15 0.00 -1.71 0.00 0.00 55.69 52.95 1u2g s MET 199 Cb -0.13 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.07 1u2g s MET 199 CO -0.10 0.43 0.34 0.00 -0.01 0.00 0.00 175.02 175.68 1u2g s ALA 200 N -2.00 -0.78 0.04 3.03 0.00 -0.61 -1.19 121.76 120.26 1u2g s ALA 200 Ca 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 1u2g s ALA 200 Cb -0.09 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1u2g s ALA 200 CO 0.26 -0.45 0.07 -0.08 0.00 0.00 0.00 175.76 175.56 1u2g s THR 201 N -2.71 0.14 -0.15 0.00 -1.32 -0.83 -1.26 115.64 109.51 1u2g s THR 201 Ca -0.04 -1.19 -0.30 0.00 -1.21 0.00 0.00 61.69 58.95 1u2g s THR 201 Cb -0.00 -0.96 0.13 0.00 -1.51 0.00 0.00 72.50 70.16 1u2g s THR 201 CO -0.04 -0.65 1.03 -0.62 -2.21 0.00 0.00 174.62 172.12 1u2g s ASP 202 N -2.23 -0.32 0.22 8.08 -1.08 -1.26 -1.51 116.67 118.57 1u2g s ASP 202 Ca -0.04 0.27 0.04 0.00 -0.52 0.00 0.00 52.55 52.30 1u2g s ASP 202 Cb -0.00 0.28 0.20 0.00 -1.46 0.00 0.00 42.92 41.94 1u2g s ASP 202 CO -0.05 -0.35 1.53 -0.37 0.52 0.00 0.00 175.17 176.44 1u2g h VAL 203 N 2.38 1.40 -3.52 1.11 -1.51 -2.02 -3.45 116.25 110.64 1u2g h VAL 203 Ca -0.17 -2.07 -0.52 0.00 -1.23 0.00 0.00 66.70 62.71 1u2g h VAL 203 Cb 1.18 2.06 0.01 0.00 -2.13 0.00 0.00 31.29 32.42 1u2g h VAL 203 CO 0.30 0.61 0.53 -0.13 -1.23 0.00 0.00 177.57 177.65 1u2g s ARG 204 N -3.68 4.52 0.08 5.19 0.52 -1.26 -4.97 118.95 119.36 1u2g s ARG 204 Ca -0.04 1.83 -0.16 0.00 -0.52 0.00 0.00 55.73 56.84 1u2g s ARG 204 Cb 0.12 -3.25 -0.13 0.00 0.52 0.00 0.00 34.95 32.21 1u2g s ARG 204 CO 0.81 -0.03 1.33 0.00 0.02 0.00 0.00 175.30 177.42 1u2g h ALA 205 N 5.14 0.32 0.00 2.13 0.00 -2.05 -3.15 119.26 121.65 1u2g h ALA 205 Ca -0.45 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1u2g h ALA 205 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u2g h ALA 205 CO 0.73 0.46 0.00 0.00 0.00 0.00 0.00 179.25 180.45 1u2g h ALA 206 N 0.59 1.00 0.00 0.00 0.00 -1.99 -2.79 119.26 116.08 1u2g h ALA 206 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1u2g h ALA 206 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1u2g h ALA 206 CO 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.16 1u2g h THR 207 N 0.00 0.38 -0.50 0.00 1.03 -1.92 -3.17 112.91 108.72 1u2g h THR 207 Ca 0.00 -1.21 0.01 0.00 -0.01 0.00 0.00 66.41 65.20 1u2g h THR 207 Cb 0.10 1.91 -0.03 0.00 -1.07 0.00 0.00 68.15 69.06 1u2g h THR 207 CO 0.00 0.18 0.33 0.50 -0.01 0.00 0.00 175.52 176.53 1u2g h LYS 208 N 0.00 0.66 -0.34 0.00 3.64 -1.69 -0.57 116.57 118.27 1u2g h LYS 208 Ca -0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1u2g h LYS 208 Cb 0.90 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1u2g h LYS 208 CO 0.02 0.44 -0.06 1.49 -2.27 0.00 0.00 179.45 179.08 1u2g h GLU 209 N 0.68 0.55 -0.37 1.90 4.81 -1.77 -2.21 114.58 118.18 1u2g h GLU 209 Ca 0.19 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1u2g h GLU 209 Cb -0.08 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1u2g h GLU 209 CO -0.04 0.62 -0.08 1.96 -0.73 0.00 0.00 179.01 180.74 1u2g h GLN 210 N 0.52 0.71 -0.46 1.92 4.20 -1.45 -0.80 115.11 119.76 1u2g h GLN 210 Ca 0.10 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.57 1u2g h GLN 210 Cb 0.42 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1u2g h GLN 210 CO 0.02 0.86 0.26 0.28 -0.67 0.00 0.00 178.83 179.58 1u2g h VAL 211 N 0.51 1.03 0.00 -0.54 2.07 -0.97 -2.57 116.25 115.79 1u2g h VAL 211 Ca 0.10 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1u2g h VAL 211 Cb 0.59 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1u2g h VAL 211 CO 0.03 0.10 -0.35 -0.33 0.02 0.00 0.00 177.57 177.04 1u2g h GLU 212 N 0.53 0.00 0.00 1.57 5.08 -1.28 -1.63 114.58 118.85 1u2g h GLU 212 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1u2g h GLU 212 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1u2g h GLU 212 CO -0.09 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.14 1u2g n SER 213 N -4.04 0.12 -0.70 1.42 3.41 -0.32 -1.74 113.62 111.78 1u2g n SER 213 Ca -0.02 0.53 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1u2g n SER 213 Cb 0.40 -0.56 0.17 0.00 -0.26 0.00 0.00 64.21 63.96 1u2g n SER 213 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u2g n LEU 214 N -1.64 3.12 -0.02 1.04 4.77 -0.92 -4.98 117.00 118.37 1u2g n LEU 214 Ca 0.03 -2.19 -0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1u2g n LEU 214 Cb 0.16 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1u2g n LEU 214 CO 0.13 0.72 -0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1u2g n GLY 215 N 0.34 0.47 3.92 -0.72 0.00 -0.71 -4.82 105.19 103.66 1u2g n GLY 215 Ca 0.13 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1u2g n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u2g s GLY 216 N -2.27 1.56 -0.15 -0.02 0.00 -0.66 -4.84 107.32 100.94 1u2g s GLY 216 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 1u2g s GLY 216 CO 0.00 -0.47 -0.01 0.54 0.00 0.00 0.00 173.10 173.16 1u2g s LYS 217 N -4.84 3.58 0.07 2.90 1.02 -0.65 -3.75 119.74 118.08 1u2g s LYS 217 Ca 0.51 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.79 1u2g s LYS 217 Cb -0.10 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 1u2g s LYS 217 CO 0.44 0.35 0.74 0.12 -0.92 0.00 0.00 175.35 176.07 1u2g s PHE 218 N 0.10 3.77 -0.34 3.18 5.36 -1.26 -1.57 117.98 127.22 1u2g s PHE 218 Ca 0.01 1.47 -0.29 0.00 -0.96 0.00 0.00 56.93 57.15 1u2g s PHE 218 Cb -0.13 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1u2g s PHE 218 CO 0.02 0.36 1.33 0.42 -1.46 0.00 0.00 175.22 175.90 1u2g s ILE 219 N -0.39 4.06 0.37 3.12 1.01 -0.39 -4.92 121.20 124.07 1u2g s ILE 219 Ca 0.36 1.16 0.04 0.00 0.00 0.00 0.00 60.65 62.21 1u2g s ILE 219 Cb -0.21 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1u2g s ILE 219 CO 0.23 -0.58 0.12 0.42 0.00 0.00 0.00 174.94 175.13 1u2g s THR 220 N 4.72 0.65 0.00 2.92 -4.23 -1.26 -4.93 115.64 113.51 1u2g s THR 220 Ca 0.58 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1u2g s THR 220 Cb -0.15 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1u2g s THR 220 CO 0.27 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.87 1u2g n VAL 221 N -0.80 0.00 0.00 2.29 0.31 -1.26 -4.95 118.33 113.92 1u2g n VAL 221 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1u2g n VAL 221 Cb 0.65 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1u2g n VAL 221 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1u2g n ARG 244 N 0.00 0.00 0.00 5.55 0.00 -1.26 -5.22 116.66 115.73 1u2g n ARG 244 Ca 0.00 0.39 0.05 0.00 -0.00 0.00 0.00 57.85 58.29 1u2g n ARG 244 Cb 0.00 -1.56 0.30 0.00 0.00 0.00 0.00 32.46 31.19 1u2g n ARG 244 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1u2g n LYS 245 N -1.38 0.42 -2.64 -0.14 4.81 -1.26 -4.44 118.16 113.54 1u2g n LYS 245 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1u2g n LYS 245 Cb 0.06 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1u2g n LYS 245 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1u2g n LYS 246 N -0.87 3.69 -0.25 1.64 4.81 -1.26 -4.41 118.16 121.51 1u2g n LYS 246 Ca 0.08 -3.81 0.11 0.00 -0.87 0.00 0.00 58.31 53.81 1u2g n LYS 246 Cb 0.03 -2.87 0.27 0.00 0.02 0.00 0.00 35.03 32.48 1u2g n LYS 246 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u2g n GLN 247 N 3.83 2.39 0.29 1.64 10.64 -1.26 -4.17 117.38 130.74 1u2g n GLN 247 Ca 0.36 -2.14 0.18 0.00 -1.83 0.00 0.00 57.00 53.58 1u2g n GLN 247 Cb 0.37 -1.49 0.85 0.00 -0.86 0.00 0.00 30.24 29.12 1u2g n GLN 247 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1u2g h ALA 248 N 4.26 1.05 -0.37 2.61 0.00 -1.98 -2.62 119.26 122.20 1u2g h ALA 248 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1u2g h ALA 248 Cb 0.85 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1u2g h ALA 248 CO 0.00 0.04 0.19 1.49 0.00 0.00 0.00 179.25 180.97 1u2g h GLU 249 N 0.00 0.53 -0.29 0.00 4.81 -1.96 -1.00 114.58 116.67 1u2g h GLU 249 Ca -0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1u2g h GLU 249 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1u2g h GLU 249 CO 0.00 0.45 -0.21 0.00 -0.73 0.00 0.00 179.01 178.53 1u2g h ALA 250 N 1.05 1.10 -0.33 2.92 0.00 -1.77 -1.19 119.26 121.04 1u2g h ALA 250 Ca 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1u2g h ALA 250 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u2g h ALA 250 CO -0.02 0.55 0.03 0.28 0.00 0.00 0.00 179.25 180.10 1u2g h VAL 251 N 0.48 1.24 -0.46 0.00 2.07 -1.41 -3.13 116.25 115.04 1u2g h VAL 251 Ca 0.08 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1u2g h VAL 251 Cb 0.63 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1u2g h VAL 251 CO 0.04 0.29 0.16 0.25 0.02 0.00 0.00 177.57 178.33 1u2g h LEU 252 N 0.37 0.67 -1.20 2.57 7.12 -0.90 -0.57 115.31 123.38 1u2g h LEU 252 Ca 0.10 -0.20 0.16 0.00 0.13 0.00 0.00 57.88 58.07 1u2g h LEU 252 Cb 0.39 -0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 40.26 1u2g h LEU 252 CO 0.01 0.68 0.60 0.50 -0.13 0.00 0.00 178.44 180.10 1u2g h LYS 253 N 0.61 0.71 0.20 1.25 3.64 -1.23 -1.01 116.57 120.74 1u2g h LYS 253 Ca 0.15 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.16 1u2g h LYS 253 Cb 0.25 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1u2g h LYS 253 CO -0.01 0.47 -1.50 0.93 -2.27 0.00 0.00 179.45 177.07 1u2g h GLU 254 N 0.73 0.42 -0.37 1.90 4.39 -1.44 -3.35 114.58 116.85 1u2g h GLU 254 Ca 0.49 -0.71 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1u2g h GLU 254 Cb 0.77 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1u2g h GLU 254 CO -0.25 1.33 0.20 1.25 -1.16 0.00 0.00 179.01 180.37 1u2g h LEU 255 N 0.11 0.45 -1.56 1.33 5.85 -0.30 -1.13 115.31 120.07 1u2g h LEU 255 Ca -0.25 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1u2g h LEU 255 Cb 2.10 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 1u2g h LEU 255 CO 0.23 0.37 -0.16 0.58 -0.34 0.00 0.00 178.44 179.12 1u2g h VAL 256 N 0.52 0.51 -0.02 1.05 2.07 -1.35 -2.51 116.25 116.52 1u2g h VAL 256 Ca 0.13 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1u2g h VAL 256 Cb 0.03 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1u2g h VAL 256 CO -0.02 0.15 -0.13 0.29 0.02 0.00 0.00 177.57 177.89 1u2g n LYS 257 N -3.47 1.78 -3.16 1.57 5.02 -0.48 -4.34 118.16 115.07 1u2g n LYS 257 Ca -0.01 -1.35 -0.39 0.00 -2.02 0.00 0.00 58.31 54.54 1u2g n LYS 257 Cb 0.32 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1u2g n LYS 257 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1u2g s THR 258 N -2.15 4.83 -0.13 -0.18 2.01 -0.85 -4.73 115.64 114.44 1u2g s THR 258 Ca 0.28 1.34 -0.09 0.00 0.31 0.00 0.00 61.69 63.53 1u2g s THR 258 Cb 0.20 -3.97 -0.25 0.00 0.01 0.00 0.00 72.50 68.48 1u2g s THR 258 CO 0.39 0.42 0.35 0.47 -0.69 0.00 0.00 174.62 175.56 1u2g n ASP 259 N 2.60 2.09 -3.91 3.53 8.00 0.57 -4.68 116.55 124.76 1u2g n ASP 259 Ca -0.06 0.24 -0.27 0.00 0.71 0.00 0.00 54.79 55.41 1u2g n ASP 259 Cb 0.51 -0.88 -0.17 0.00 -0.02 0.00 0.00 41.12 40.55 1u2g n ASP 259 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u2g s ILE 260 N -2.53 1.03 -0.21 0.53 1.09 -0.91 -0.94 121.20 119.26 1u2g s ILE 260 Ca -0.23 -0.29 -0.06 0.00 -1.10 0.00 0.00 60.65 58.97 1u2g s ILE 260 Cb 0.06 -1.04 -0.03 0.00 -1.06 0.00 0.00 42.46 40.39 1u2g s ILE 260 CO 0.75 0.37 0.03 0.00 -0.10 0.00 0.00 174.94 175.98 1u2g s ALA 261 N 1.69 3.10 -0.23 9.38 0.00 -0.21 -1.15 121.76 134.34 1u2g s ALA 261 Ca 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1u2g s ALA 261 Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1u2g s ALA 261 CO -0.08 -0.23 -0.06 0.42 0.00 0.00 0.00 175.76 175.80 1u2g s ILE 262 N 1.15 3.03 -0.20 0.00 1.01 -0.05 -0.13 121.20 126.00 1u2g s ILE 262 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1u2g s ILE 262 Cb -0.14 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1u2g s ILE 262 CO 0.02 0.33 -0.03 0.42 0.00 0.00 0.00 174.94 175.67 1u2g s THR 263 N 1.39 3.56 0.00 2.92 -4.23 -0.10 0.03 115.64 119.22 1u2g s THR 263 Ca 0.03 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1u2g s THR 263 Cb -0.15 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1u2g s THR 263 CO -0.05 0.43 0.85 0.35 -0.54 0.00 0.00 174.62 175.66 1u2g n THR 264 N 4.48 0.71 -2.70 3.99 -2.24 0.47 -0.79 114.28 118.19 1u2g n THR 264 Ca -0.18 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.44 1u2g n THR 264 Cb 0.51 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1u2g n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u2g s ALA 265 N -0.71 3.61 0.21 6.98 0.00 -1.25 -4.83 121.76 125.76 1u2g s ALA 265 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1u2g s ALA 265 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1u2g s ALA 265 CO 0.00 -1.20 0.05 -0.48 0.00 0.00 0.00 175.76 174.13 1u2g s LEU 266 N 3.30 1.85 -0.26 0.00 2.34 -1.26 -4.31 118.68 120.34 1u2g s LEU 266 Ca 0.43 -1.28 -0.04 0.00 0.06 0.00 0.00 54.13 53.30 1u2g s LEU 266 Cb -0.14 0.01 0.10 0.00 -0.56 0.00 0.00 46.19 45.59 1u2g s LEU 266 CO 0.10 -0.66 0.16 -0.63 -1.06 0.00 0.00 176.35 174.26 1u2g s ILE 267 N -3.73 -0.16 0.11 1.48 1.01 -1.26 -5.00 121.20 113.64 1u2g s ILE 267 Ca 0.31 -0.52 -0.34 0.00 0.00 0.00 0.00 60.65 60.10 1u2g s ILE 267 Cb 0.07 -0.86 -0.18 0.00 0.01 0.00 0.00 42.46 41.49 1u2g s ILE 267 CO 0.09 -0.54 0.88 -2.65 0.00 0.00 0.00 174.94 172.71 1u2g n PRO 268 N 5.27 0.20 -0.93 2.79 -0.02 -1.26 -1.46 135.00 139.59 1u2g n PRO 268 Ca -0.05 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1u2g n PRO 268 Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1u2g n PRO 268 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u2g n GLY 269 N 1.77 0.80 3.21 -1.23 0.00 -1.26 -5.00 105.19 103.48 1u2g n GLY 269 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1u2g n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2g s LYS 270 N -0.17 0.95 0.53 1.61 -0.14 -0.53 -5.14 119.74 116.84 1u2g s LYS 270 Ca 0.00 -1.31 -0.20 0.00 -1.36 0.00 0.00 55.97 53.10 1u2g s LYS 270 Cb 0.00 -0.56 -0.06 0.00 -1.68 0.00 0.00 37.83 35.53 1u2g s LYS 270 CO 0.00 0.07 1.16 -1.25 -0.76 0.00 0.00 175.35 174.57 1u2g s PRO 271 N -3.31 3.41 0.41 -1.68 0.04 -1.26 -4.54 135.00 128.07 1u2g s PRO 271 Ca 0.11 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1u2g s PRO 271 Cb 0.00 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1u2g s PRO 271 CO -0.00 -0.82 1.34 0.00 0.04 0.00 0.00 177.00 177.56 1u2g s ALA 272 N -1.67 3.28 0.32 8.56 0.00 0.14 -4.71 121.76 127.69 1u2g s ALA 272 Ca 0.71 1.31 -0.28 0.00 0.00 0.00 0.00 51.96 53.69 1u2g s ALA 272 Cb -0.26 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1u2g s ALA 272 CO 0.30 -0.91 1.15 -1.25 0.00 0.00 0.00 175.76 175.05 1u2g s PRO 273 N -2.26 4.43 -0.35 0.00 0.04 -1.26 -4.72 135.00 130.87 1u2g s PRO 273 Ca 0.57 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 1u2g s PRO 273 Cb -0.40 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1u2g s PRO 273 CO 0.52 0.00 1.21 0.08 0.04 0.00 0.00 177.00 178.84 1u2g s VAL 274 N -1.25 4.25 -0.06 -0.36 1.01 -1.26 -4.18 120.40 118.55 1u2g s VAL 274 Ca 0.49 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.94 1u2g s VAL 274 Cb -0.32 -4.34 -0.12 0.00 0.00 0.00 0.00 36.38 31.60 1u2g s VAL 274 CO 0.42 -0.61 0.09 0.18 0.00 0.00 0.00 175.10 175.17 1u2g n LEU 275 N 7.54 0.00 -3.90 3.92 4.77 0.29 -4.87 117.00 124.75 1u2g n LEU 275 Ca 0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 1u2g n LEU 275 Cb 0.47 0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.55 1u2g n LEU 275 CO 0.64 0.14 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.85 1u2g s ILE 276 N -2.35 1.58 0.93 -0.08 1.01 -0.77 -5.05 121.20 116.46 1u2g s ILE 276 Ca -0.04 -1.66 -0.12 0.00 0.00 0.00 0.00 60.65 58.82 1u2g s ILE 276 Cb 0.04 -2.06 0.15 0.00 0.01 0.00 0.00 42.46 40.60 1u2g s ILE 276 CO 0.37 -0.45 1.13 0.42 0.00 0.00 0.00 174.94 176.40 1u2g s THR 277 N 1.30 2.00 0.25 2.92 -4.23 -1.26 -4.14 115.64 112.48 1u2g s THR 277 Ca 0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1u2g s THR 277 Cb -0.18 -2.71 0.14 0.00 1.34 0.00 0.00 72.50 71.09 1u2g s THR 277 CO -0.13 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 175.65 1u2g h GLU 278 N -1.58 0.92 -0.48 3.99 4.81 -1.99 -1.99 114.58 118.25 1u2g h GLU 278 Ca -0.51 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 58.52 1u2g h GLU 278 Cb 1.33 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1u2g h GLU 278 CO 0.61 0.83 0.32 1.49 -0.73 0.00 0.00 179.01 181.54 1u2g h GLU 279 N 0.87 0.61 -0.14 1.92 4.81 -2.01 -2.27 114.58 118.37 1u2g h GLU 279 Ca 0.18 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 1u2g h GLU 279 Cb 0.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1u2g h GLU 279 CO 0.00 0.40 -0.57 0.52 -0.73 0.00 0.00 179.01 178.64 1u2g h MET 280 N 0.63 0.44 0.00 1.92 2.86 -1.74 -3.21 114.93 115.83 1u2g h MET 280 Ca 0.18 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1u2g h MET 280 Cb -0.03 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1u2g h MET 280 CO -0.04 0.89 -0.52 -0.39 1.06 0.00 0.00 176.91 177.91 1u2g h VAL 281 N 0.34 1.19 0.00 -2.22 -1.51 -0.86 -2.83 116.25 110.36 1u2g h VAL 281 Ca 0.00 -1.90 -0.04 0.00 -1.23 0.00 0.00 66.70 63.53 1u2g h VAL 281 Cb 1.10 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 32.33 1u2g h VAL 281 CO 0.10 0.51 -0.17 0.71 -1.23 0.00 0.00 177.57 177.49 1u2g h THR 282 N 0.00 0.75 -0.01 7.19 1.35 -1.44 -2.57 112.91 118.18 1u2g h THR 282 Ca -0.01 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1u2g h THR 282 Cb 1.04 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1u2g h THR 282 CO 0.07 0.16 -0.11 0.29 -0.25 0.00 0.00 175.52 175.68 1u2g n LYS 283 N -3.81 1.18 -2.27 4.72 5.02 -1.07 -4.90 118.16 117.04 1u2g n LYS 283 Ca -0.02 -0.63 -0.31 0.00 -2.02 0.00 0.00 58.31 55.33 1u2g n LYS 283 Cb 0.27 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1u2g n LYS 283 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1u2g s MET 284 N -2.25 3.76 0.47 1.97 -1.94 -0.97 -4.63 119.30 115.71 1u2g s MET 284 Ca 0.32 0.76 -0.19 0.00 -1.71 0.00 0.00 55.69 54.87 1u2g s MET 284 Cb 0.20 -2.16 -0.09 0.00 2.01 0.00 0.00 34.83 34.79 1u2g s MET 284 CO 0.42 -0.35 0.98 -1.59 -0.01 0.00 0.00 175.02 174.47 1u2g s LYS 285 N -4.53 4.04 0.54 2.03 -2.85 -1.26 -5.02 119.74 112.69 1u2g s LYS 285 Ca 0.56 1.10 -0.20 0.00 -1.00 0.00 0.00 55.97 56.42 1u2g s LYS 285 Cb -0.10 -2.15 -0.06 0.00 -2.06 0.00 0.00 37.83 33.46 1u2g s LYS 285 CO 0.41 -0.19 1.17 -2.14 0.10 0.00 0.00 175.35 174.69 1u2g s PRO 286 N -3.53 3.34 0.00 1.78 0.02 -1.26 -2.56 135.00 132.79 1u2g s PRO 286 Ca 0.62 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1u2g s PRO 286 Cb -0.10 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1u2g s PRO 286 CO 0.21 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1u2g n GLY 287 N 0.33 1.84 3.76 0.52 0.00 -0.86 -5.05 105.19 105.74 1u2g n GLY 287 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1u2g n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u2g s SER 288 N -2.91 5.08 0.01 1.61 0.01 -1.06 -4.65 113.70 111.79 1u2g s SER 288 Ca 0.00 2.10 0.03 0.00 1.31 0.00 0.00 55.95 59.39 1u2g s SER 288 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1u2g s SER 288 CO 0.00 -1.65 -0.10 0.68 0.41 0.00 0.00 173.24 172.58 1u2g s VAL 289 N -2.16 0.74 -0.17 3.43 -7.23 -0.11 -2.12 120.40 112.79 1u2g s VAL 289 Ca 0.69 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1u2g s VAL 289 Cb -0.23 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 36.03 1u2g s VAL 289 CO 0.39 0.03 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.49 1u2g s ILE 290 N -0.58 3.19 -0.41 -0.62 1.01 0.18 -1.04 121.20 122.93 1u2g s ILE 290 Ca 0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 1u2g s ILE 290 Cb -0.06 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1u2g s ILE 290 CO 0.00 0.49 0.29 -0.63 0.00 0.00 0.00 174.94 175.09 1u2g s ILE 291 N 0.79 5.17 -0.76 2.92 -1.09 0.82 -0.15 121.20 128.89 1u2g s ILE 291 Ca -0.04 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.53 1u2g s ILE 291 Cb -0.15 -3.89 0.18 0.00 -1.58 0.00 0.00 42.46 37.02 1u2g s ILE 291 CO 0.01 -0.31 0.76 -0.62 -1.23 0.00 0.00 174.94 173.55 1u2g s ASP 292 N 1.69 6.57 0.06 3.58 -1.08 -0.47 -0.92 116.67 126.09 1u2g s ASP 292 Ca 0.05 -2.29 0.20 0.00 -0.52 0.00 0.00 52.55 49.99 1u2g s ASP 292 Cb -0.19 -2.25 0.85 0.00 -1.46 0.00 0.00 42.92 39.87 1u2g s ASP 292 CO 0.09 -0.76 1.65 0.18 0.52 0.00 0.00 175.17 176.85 1u2g n LEU 293 N 4.83 0.16 -1.67 -1.34 4.77 0.03 -2.86 117.00 120.92 1u2g n LEU 293 Ca 0.07 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.66 1u2g n LEU 293 Cb 0.45 -0.50 0.36 0.00 -2.33 0.00 0.00 43.42 41.41 1u2g n LEU 293 CO 0.42 -0.23 0.82 0.00 -1.33 0.00 0.00 177.39 177.07 1u2g n ALA 294 N -1.56 3.39 0.22 -1.18 0.00 -1.23 -4.64 120.51 115.51 1u2g n ALA 294 Ca 0.04 -1.64 0.06 0.00 0.00 0.00 0.00 53.44 51.90 1u2g n ALA 294 Cb 0.24 -1.07 0.52 0.00 0.00 0.00 0.00 19.45 19.15 1u2g n ALA 294 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1u2g h VAL 295 N 3.90 1.11 0.00 0.00 3.04 -1.87 0.97 116.25 123.39 1u2g h VAL 295 Ca 0.00 -0.50 -0.02 0.00 -1.01 0.00 0.00 66.70 65.17 1u2g h VAL 295 Cb 1.62 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1u2g h VAL 295 CO 0.33 0.15 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.62 1u2g h GLU 296 N 0.02 0.00 -0.53 4.17 5.08 -1.88 -2.76 114.58 118.69 1u2g h GLU 296 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1u2g h GLU 296 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1u2g h GLU 296 CO 0.02 0.08 0.06 0.00 -1.00 0.00 0.00 179.01 178.17 1u2g n ALA 297 N -2.14 3.84 0.00 3.43 0.00 -0.79 -4.91 120.51 119.95 1u2g n ALA 297 Ca 0.01 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.28 1u2g n ALA 297 Cb 0.37 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1u2g n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2g n GLY 298 N 0.09 1.54 0.00 0.00 0.00 -1.04 -0.68 105.19 105.10 1u2g n GLY 298 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1u2g n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2g n GLY 299 N -1.51 -1.57 0.09 -0.02 0.00 0.27 -4.70 105.19 97.75 1u2g n GLY 299 Ca 0.00 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.75 1u2g n GLY 299 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u2g n ASN 300 N -1.10 0.73 -4.11 1.61 5.03 -1.26 -4.54 115.26 111.62 1u2g n ASN 300 Ca 0.00 0.45 -0.31 0.00 0.87 0.00 0.00 54.58 55.60 1u2g n ASN 300 Cb 0.00 -0.54 -0.17 0.00 -1.02 0.00 0.00 39.78 38.05 1u2g n ASN 300 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u2g h PRO 302 N 7.44 0.00 0.00 0.00 0.13 -1.83 -2.65 132.00 135.09 1u2g h PRO 302 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1u2g h PRO 302 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1u2g h PRO 302 CO 0.53 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.58 1u2g n LEU 303 N -2.84 0.66 -4.77 1.56 4.77 -1.26 -4.85 117.00 110.27 1u2g n LEU 303 Ca 0.00 0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 56.20 1u2g n LEU 303 Cb 0.24 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1u2g n LEU 303 CO 0.23 -0.26 0.84 -0.94 -1.33 0.00 0.00 177.39 175.92 1u2g s SER 304 N -4.24 6.12 -0.05 -1.43 1.04 -1.00 -4.91 113.70 109.23 1u2g s SER 304 Ca 0.09 2.33 0.01 0.00 0.48 0.00 0.00 55.95 58.86 1u2g s SER 304 Cb 0.12 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.66 1u2g s SER 304 CO 0.52 -0.95 -0.06 -1.61 0.98 0.00 0.00 173.24 172.12 1u2g s GLU 305 N -2.72 1.04 -0.06 4.02 2.02 -1.26 -4.99 118.70 116.76 1u2g s GLU 305 Ca 0.64 -0.18 -0.39 0.00 0.02 0.00 0.00 54.97 55.07 1u2g s GLU 305 Cb -0.29 -0.98 -0.17 0.00 0.10 0.00 0.00 34.13 32.78 1u2g s GLU 305 CO 0.35 -0.06 1.41 -2.30 0.02 0.00 0.00 175.26 174.68 1u2g n PRO 306 N 4.03 0.86 -1.12 0.39 -0.02 -1.26 -1.84 135.00 136.04 1u2g n PRO 306 Ca -0.24 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.51 1u2g n PRO 306 Cb 0.51 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1u2g n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u2g n GLY 307 N 2.84 0.62 3.26 -1.23 0.00 0.19 -4.95 105.19 105.92 1u2g n GLY 307 Ca 0.21 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1u2g n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2g s LYS 308 N -1.72 1.08 -0.36 1.61 1.02 -0.77 -4.89 119.74 115.72 1u2g s LYS 308 Ca 0.00 -1.30 -0.06 0.00 0.02 0.00 0.00 55.97 54.63 1u2g s LYS 308 Cb 0.00 -0.97 0.05 0.00 -0.52 0.00 0.00 37.83 36.40 1u2g s LYS 308 CO 0.00 0.18 0.13 0.42 -0.92 0.00 0.00 175.35 175.17 1u2g s ILE 309 N -2.25 3.77 -0.02 2.17 1.01 -1.26 -1.69 121.20 122.94 1u2g s ILE 309 Ca 0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 1u2g s ILE 309 Cb -0.04 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1u2g s ILE 309 CO 0.04 -0.27 0.10 0.54 0.00 0.00 0.00 174.94 175.34 1u2g s VAL 310 N 1.38 4.87 -0.23 2.92 0.11 -0.93 -4.93 120.40 123.59 1u2g s VAL 310 Ca -0.00 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1u2g s VAL 310 Cb -0.20 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1u2g s VAL 310 CO 0.02 0.37 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.45 1u2g s VAL 311 N -1.19 3.49 -0.02 2.04 1.01 -1.26 0.16 120.40 124.63 1u2g s VAL 311 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1u2g s VAL 311 Cb -0.12 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1u2g s VAL 311 CO 0.14 0.38 0.01 -0.75 0.00 0.00 0.00 175.10 174.87 1u2g s LYS 312 N 1.49 0.13 -1.46 2.72 2.20 -0.58 -4.85 119.74 119.38 1u2g s LYS 312 Ca 0.05 0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.68 1u2g s LYS 312 Cb -0.15 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 35.89 1u2g s LYS 312 CO -0.02 -0.11 0.87 0.72 -0.36 0.00 0.00 175.35 176.45 1u2g n HIS 313 N 3.91 -2.36 -1.20 4.03 8.25 -1.26 -1.69 115.22 124.90 1u2g n HIS 313 Ca -0.24 0.76 -0.07 0.00 -0.26 0.00 0.00 57.72 57.90 1u2g n HIS 313 Cb 0.52 -4.55 -0.03 0.00 1.12 0.00 0.00 29.99 27.06 1u2g n HIS 313 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u2g n GLY 314 N -1.71 0.88 3.15 -1.41 0.00 -1.26 -4.79 105.19 100.05 1u2g n GLY 314 Ca -0.04 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1u2g n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2g s VAL 315 N -2.11 1.92 -0.12 1.61 1.01 -0.68 -2.03 120.40 120.00 1u2g s VAL 315 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1u2g s VAL 315 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1u2g s VAL 315 CO 0.00 0.52 1.17 -0.54 0.00 0.00 0.00 175.10 176.26 1u2g s LYS 316 N 0.80 4.31 -0.38 2.72 1.02 -0.90 -1.53 119.74 125.77 1u2g s LYS 316 Ca -0.08 1.59 -0.06 0.00 0.02 0.00 0.00 55.97 57.44 1u2g s LYS 316 Cb -0.16 -3.63 0.08 0.00 -0.52 0.00 0.00 37.83 33.60 1u2g s LYS 316 CO -0.01 -0.53 0.17 0.42 -0.92 0.00 0.00 175.35 174.48 1u2g s ILE 317 N 2.72 3.68 -0.17 2.17 1.09 0.12 -0.65 121.20 130.16 1u2g s ILE 317 Ca 0.53 -1.53 -0.14 0.00 -1.10 0.00 0.00 60.65 58.41 1u2g s ILE 317 Cb -0.22 -3.27 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 1u2g s ILE 317 CO 0.17 -0.43 0.32 -0.69 -0.10 0.00 0.00 174.94 174.21 1u2g s VAL 318 N 1.31 5.28 -0.38 2.92 1.01 0.78 -2.19 120.40 129.14 1u2g s VAL 318 Ca 0.02 0.60 0.11 0.00 0.00 0.00 0.00 61.98 62.71 1u2g s VAL 318 Cb -0.22 -3.66 0.33 0.00 0.00 0.00 0.00 36.38 32.84 1u2g s VAL 318 CO -0.00 0.36 0.71 0.61 0.00 0.00 0.00 175.10 176.77 1u2g n GLY 319 N 3.52 3.42 3.77 4.51 0.00 -0.68 -1.37 105.19 118.35 1u2g n GLY 319 Ca -0.11 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1u2g n GLY 319 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u2g s HIS 320 N -2.17 2.88 0.34 1.61 3.76 -1.26 0.54 115.29 120.99 1u2g s HIS 320 Ca 0.39 1.45 -0.07 0.00 -0.15 0.00 0.00 55.06 56.67 1u2g s HIS 320 Cb 0.32 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 30.36 1u2g s HIS 320 CO -0.08 -1.89 0.66 0.95 -0.85 0.00 0.00 174.74 173.52 1u2g s THR 321 N -1.30 4.91 -1.13 1.30 -4.23 -1.26 -4.60 115.64 109.33 1u2g s THR 321 Ca 0.57 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 61.26 1u2g s THR 321 Cb -0.36 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.72 1u2g s THR 321 CO 0.46 -0.42 0.82 -3.20 -0.54 0.00 0.00 174.62 171.74 1u2g n ASN 322 N -1.11 -5.26 -0.08 3.99 2.85 -1.26 -4.88 115.26 109.52 1u2g n ASN 322 Ca 0.00 -0.90 -0.02 0.00 -0.11 0.00 0.00 54.58 53.55 1u2g n ASN 322 Cb 0.54 -4.00 0.23 0.00 1.24 0.00 0.00 39.78 37.79 1u2g n ASN 322 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1u2g h VAL 323 N -1.65 1.21 -0.59 3.44 2.07 -1.97 -1.50 116.25 117.26 1u2g h VAL 323 Ca -0.64 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 66.19 1u2g h VAL 323 Cb 1.35 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1u2g h VAL 323 CO 0.48 0.29 0.40 -0.65 0.02 0.00 0.00 177.57 178.11 1u2g h PRO 324 N 0.68 0.30 0.00 1.57 0.11 -1.90 -0.30 132.00 132.46 1u2g h PRO 324 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1u2g h PRO 324 Cb 0.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1u2g h PRO 324 CO 0.00 0.20 0.00 1.03 -0.21 0.00 0.00 178.00 179.02 1u2g h SER 325 N 0.31 0.00 0.79 -2.05 0.87 -1.62 -1.33 113.55 110.52 1u2g h SER 325 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1u2g h SER 325 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1u2g h SER 325 CO -0.07 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.77 1u2g n ARG 326 N -2.95 0.13 -2.24 2.24 1.74 -0.12 -2.45 116.66 113.00 1u2g n ARG 326 Ca 0.01 0.30 -0.23 0.00 -0.77 0.00 0.00 57.85 57.17 1u2g n ARG 326 Cb 0.31 -1.71 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1u2g n ARG 326 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u2g n VAL 327 N -1.95 2.34 -0.11 1.55 0.31 -0.51 -4.94 118.33 115.03 1u2g n VAL 327 Ca 0.03 -4.32 0.08 0.00 -0.01 0.00 0.00 64.34 60.13 1u2g n VAL 327 Cb 0.25 -0.96 0.42 0.00 -0.91 0.00 0.00 33.84 32.64 1u2g n VAL 327 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u2g h ALA 328 N 2.36 1.81 0.00 3.52 0.00 -1.36 -0.30 119.26 125.29 1u2g h ALA 328 Ca 0.30 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1u2g h ALA 328 Cb 1.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1u2g h ALA 328 CO 0.74 0.09 -0.46 0.00 0.00 0.00 0.00 179.25 179.62 1u2g h ALA 329 N 1.67 1.03 0.00 0.00 0.00 -1.79 -1.25 119.26 118.92 1u2g h ALA 329 Ca 0.27 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 1u2g h ALA 329 Cb 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1u2g h ALA 329 CO -0.08 0.57 -1.91 -0.25 0.00 0.00 0.00 179.25 177.58 1u2g n ASP 330 N -3.68 0.48 0.01 0.00 8.00 -1.00 -4.39 116.55 115.97 1u2g n ASP 330 Ca -0.01 0.22 -0.08 0.00 0.71 0.00 0.00 54.79 55.64 1u2g n ASP 330 Cb 0.53 0.54 0.10 0.00 -0.02 0.00 0.00 41.12 42.27 1u2g n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u2g h ALA 331 N 1.17 0.81 -0.04 2.24 0.00 -0.95 -3.22 119.26 119.27 1u2g h ALA 331 Ca -0.33 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1u2g h ALA 331 Cb 1.92 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1u2g h ALA 331 CO 0.05 0.66 -0.03 0.77 0.00 0.00 0.00 179.25 180.70 1u2g h SER 332 N 0.41 0.10 -0.95 0.00 0.02 -1.44 -0.76 113.55 110.93 1u2g h SER 332 Ca 0.02 -0.44 0.14 0.00 -0.84 0.00 0.00 61.79 60.67 1u2g h SER 332 Cb 0.98 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1u2g h SER 332 CO 0.09 0.52 0.60 -0.65 -1.14 0.00 0.00 176.83 176.25 1u2g h PRO 333 N -0.33 0.81 -0.21 3.45 0.11 -1.77 -1.20 132.00 132.87 1u2g h PRO 333 Ca 0.01 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.89 1u2g h PRO 333 Cb 0.49 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1u2g h PRO 333 CO 0.01 0.54 -0.56 -0.07 -0.21 0.00 0.00 178.00 177.71 1u2g h LEU 334 N 0.83 0.85 -0.30 2.35 3.38 -1.53 -2.03 115.31 118.85 1u2g h LEU 334 Ca 0.48 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1u2g h LEU 334 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1u2g h LEU 334 CO -0.24 1.27 0.15 0.15 0.09 0.00 0.00 178.44 179.86 1u2g h PHE 335 N 0.46 0.43 -0.29 1.13 3.04 -0.95 -1.02 116.94 119.74 1u2g h PHE 335 Ca -0.01 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1u2g h PHE 335 Cb 1.17 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.53 1u2g h PHE 335 CO 0.09 0.38 0.01 0.00 -2.02 0.00 0.00 178.31 176.76 1u2g h ALA 336 N 1.01 1.47 -0.36 2.41 0.00 -1.24 -1.00 119.26 121.55 1u2g h ALA 336 Ca 0.11 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1u2g h ALA 336 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u2g h ALA 336 CO -0.01 0.38 -0.42 -0.22 0.00 0.00 0.00 179.25 178.98 1u2g h LYS 337 N 0.43 0.91 -0.53 0.00 1.63 -1.11 0.03 116.57 117.93 1u2g h LYS 337 Ca 0.10 -0.50 0.04 0.00 -0.85 0.00 0.00 60.65 59.44 1u2g h LYS 337 Cb 0.28 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 1u2g h LYS 337 CO 0.01 1.15 0.29 -0.91 -3.45 0.00 0.00 179.45 176.54 1u2g h ASN 338 N 0.74 0.45 -0.54 4.20 -0.26 -0.76 0.24 115.58 119.65 1u2g h ASN 338 Ca 0.05 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1u2g h ASN 338 Cb 1.01 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.17 1u2g h ASN 338 CO 0.10 0.31 0.35 -0.07 -1.06 0.00 0.00 177.43 177.06 1u2g h LEU 339 N 0.57 0.63 -0.33 1.61 4.07 -1.05 -2.16 115.31 118.65 1u2g h LEU 339 Ca 0.23 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 1u2g h LEU 339 Cb 0.10 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1u2g h LEU 339 CO -0.14 0.47 -0.02 0.25 -1.08 0.00 0.00 178.44 177.92 1u2g h LEU 340 N 0.73 0.58 -1.66 1.67 5.85 -0.50 -1.71 115.31 120.27 1u2g h LEU 340 Ca 0.20 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1u2g h LEU 340 Cb -0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1u2g h LEU 340 CO -0.04 0.76 -0.09 0.78 -0.34 0.00 0.00 178.44 179.51 1u2g h ASN 341 N 0.39 0.09 -0.09 1.25 2.35 -0.49 -0.46 115.58 118.62 1u2g h ASN 341 Ca 0.09 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.60 1u2g h ASN 341 Cb 0.47 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.83 1u2g h ASN 341 CO 0.02 0.20 -0.83 0.15 -1.65 0.00 0.00 177.43 175.32 1u2g h PHE 342 N 0.10 1.02 0.13 1.19 3.57 -1.17 -3.37 116.94 118.41 1u2g h PHE 342 Ca 0.02 -0.49 -0.29 0.00 3.53 0.00 0.00 57.97 60.75 1u2g h PHE 342 Cb 0.23 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1u2g h PHE 342 CO 0.00 1.32 -1.35 1.25 -2.23 0.00 0.00 178.31 177.30 1u2g h LEU 343 N 0.43 0.43 -0.64 0.59 5.85 -0.96 -3.40 115.31 117.61 1u2g h LEU 343 Ca -0.08 -0.50 0.09 0.00 0.84 0.00 0.00 57.88 58.23 1u2g h LEU 343 Cb 1.48 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1u2g h LEU 343 CO 0.17 1.40 0.29 0.74 -0.34 0.00 0.00 178.44 180.70 1u2g h THR 344 N 0.08 0.84 0.00 1.05 2.02 -1.25 -1.95 112.91 113.70 1u2g h THR 344 Ca -0.18 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1u2g h THR 344 Cb 2.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1u2g h THR 344 CO 0.19 0.09 0.03 -0.65 0.37 0.00 0.00 175.52 175.55 1u2g h PRO 345 N 0.52 0.00 -0.04 6.66 0.11 -1.79 -2.61 132.00 134.84 1u2g h PRO 345 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1u2g h PRO 345 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1u2g h PRO 345 CO -0.26 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.25 1u2g n HIS 346 N -2.79 0.02 -2.98 0.65 8.25 -0.73 -4.86 115.22 112.79 1u2g n HIS 346 Ca -0.02 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1u2g n HIS 346 Cb 0.08 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1u2g n HIS 346 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1u2g s VAL 347 N -1.79 4.82 -0.31 1.59 1.01 -0.99 -1.56 120.40 123.18 1u2g s VAL 347 Ca 0.26 1.12 -0.07 0.00 0.00 0.00 0.00 61.98 63.29 1u2g s VAL 347 Cb 0.18 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1u2g s VAL 347 CO 0.27 -0.23 0.09 -0.62 0.00 0.00 0.00 175.10 174.61 1u2g s ASP 348 N 1.62 5.19 0.30 3.32 2.15 -1.09 -4.98 116.67 123.19 1u2g s ASP 348 Ca 0.31 -0.83 0.09 0.00 0.43 0.00 0.00 52.55 52.56 1u2g s ASP 348 Cb -0.14 -1.88 0.45 0.00 -0.30 0.00 0.00 42.92 41.05 1u2g s ASP 348 CO 0.12 -0.23 1.68 0.50 -0.17 0.00 0.00 175.17 177.07 1u2g h LYS 349 N 8.24 0.09 -1.16 4.34 3.11 -1.86 -3.17 116.57 126.16 1u2g h LYS 349 Ca -0.29 -0.05 0.41 0.00 -2.81 0.00 0.00 60.65 57.91 1u2g h LYS 349 Cb 1.11 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.22 1u2g h LYS 349 CO 0.61 0.58 0.73 -0.25 -2.81 0.00 0.00 179.45 178.31 1u2g n ASP 350 N -3.94 0.20 -3.50 4.20 8.00 -1.26 -2.59 116.55 117.66 1u2g n ASP 350 Ca -0.02 1.25 -0.24 0.00 0.71 0.00 0.00 54.79 56.49 1u2g n ASP 350 Cb 0.53 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 1u2g n ASP 350 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1u2g s THR 351 N -5.08 -0.20 -0.18 -3.53 -1.32 -1.20 -5.06 115.64 99.07 1u2g s THR 351 Ca -0.07 -0.54 -0.05 0.00 -1.21 0.00 0.00 61.69 59.82 1u2g s THR 351 Cb 0.27 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 1u2g s THR 351 CO 0.71 -0.54 1.14 0.29 -2.21 0.00 0.00 174.62 174.01 1u2g n LYS 352 N 5.28 0.01 -3.94 7.08 4.01 -1.07 -4.75 118.16 124.79 1u2g n LYS 352 Ca -0.05 -0.31 -0.10 0.00 -0.51 0.00 0.00 58.31 57.35 1u2g n LYS 352 Cb 0.45 -1.53 -0.06 0.00 -0.51 0.00 0.00 35.03 33.38 1u2g n LYS 352 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1u2g s THR 353 N 3.42 0.05 -0.16 -0.18 -4.23 -1.21 -4.65 115.64 108.68 1u2g s THR 353 Ca 0.15 -1.33 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1u2g s THR 353 Cb -0.00 -1.88 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 1u2g s THR 353 CO 0.04 -0.22 -0.09 -1.48 -0.54 0.00 0.00 174.62 172.33 1u2g s LEU 354 N -2.97 2.86 -0.29 4.79 2.34 -1.26 -2.67 118.68 121.48 1u2g s LEU 354 Ca 0.17 -0.31 0.03 0.00 0.06 0.00 0.00 54.13 54.08 1u2g s LEU 354 Cb 0.02 -1.67 0.08 0.00 -0.56 0.00 0.00 46.19 44.06 1u2g s LEU 354 CO 0.01 0.12 -0.03 -0.69 -1.06 0.00 0.00 176.35 174.70 1u2g s VAL 355 N 0.64 2.01 -0.61 1.48 1.01 -0.60 -5.02 120.40 119.31 1u2g s VAL 355 Ca -0.05 -1.81 -0.28 0.00 0.00 0.00 0.00 61.98 59.84 1u2g s VAL 355 Cb -0.15 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1u2g s VAL 355 CO 0.03 -0.29 1.24 -0.04 0.00 0.00 0.00 175.10 176.03 1u2g s MET 356 N 1.12 3.43 0.09 2.72 -1.94 -1.26 -4.73 119.30 118.73 1u2g s MET 356 Ca 0.00 0.19 -0.31 0.00 -1.71 0.00 0.00 55.69 53.86 1u2g s MET 356 Cb -0.19 -4.06 -0.09 0.00 2.01 0.00 0.00 34.83 32.50 1u2g s MET 356 CO -0.08 -1.80 1.68 0.15 -0.01 0.00 0.00 175.02 174.96 1u2g s LYS 357 N 5.18 4.18 0.19 2.03 1.02 -1.26 -4.91 119.74 126.17 1u2g s LYS 357 Ca 0.43 2.40 0.03 0.00 0.02 0.00 0.00 55.97 58.85 1u2g s LYS 357 Cb -0.08 -3.54 0.07 0.00 -0.52 0.00 0.00 37.83 33.77 1u2g s LYS 357 CO 0.23 -0.74 1.43 -0.07 -0.92 0.00 0.00 175.35 175.28 1u2g h LEU 358 N 8.33 0.24 -1.36 3.17 -0.00 -1.98 -2.85 115.31 120.87 1u2g h LEU 358 Ca -0.43 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1u2g h LEU 358 Cb 1.21 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1u2g h LEU 358 CO 0.93 0.94 0.00 1.05 -0.00 0.00 0.00 178.44 181.36 1u2g h GLU 359 N 0.12 0.00 -6.39 1.13 9.09 -2.01 -3.39 114.58 113.14 1u2g h GLU 359 Ca -0.03 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.84 1u2g h GLU 359 Cb 1.39 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.49 1u2g h GLU 359 CO 0.12 0.00 0.98 0.34 0.05 0.00 0.00 179.01 180.50 1u2g s ASP 360 N -4.87 6.68 0.43 3.06 -1.08 -1.08 -4.90 116.67 114.91 1u2g s ASP 360 Ca 0.01 2.34 0.15 0.00 -0.52 0.00 0.00 52.55 54.53 1u2g s ASP 360 Cb 0.09 -2.56 0.95 0.00 -1.46 0.00 0.00 42.92 39.95 1u2g s ASP 360 CO 0.43 -0.86 1.95 -0.08 0.52 0.00 0.00 175.17 177.13 1u2g h GLU 361 N 8.49 0.00 0.00 4.34 4.81 -1.88 -1.87 114.58 128.47 1u2g h GLU 361 Ca -0.41 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 1u2g h GLU 361 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1u2g h GLU 361 CO 0.93 0.23 -0.46 0.00 -0.73 0.00 0.00 179.01 178.98 1u2g h THR 362 N 0.00 1.23 0.08 0.32 1.03 -1.94 -1.47 112.91 112.16 1u2g h THR 362 Ca -0.00 -1.63 -0.11 0.00 -0.01 0.00 0.00 66.41 64.66 1u2g h THR 362 Cb 0.42 1.90 0.01 0.00 -1.07 0.00 0.00 68.15 69.42 1u2g h THR 362 CO 0.03 0.45 -0.52 0.58 -0.01 0.00 0.00 175.52 176.05 1u2g h VAL 363 N 0.00 1.60 -0.31 0.00 2.07 -1.64 -3.24 116.25 114.72 1u2g h VAL 363 Ca -0.00 -2.45 -0.17 0.00 0.82 0.00 0.00 66.70 64.90 1u2g h VAL 363 Cb 0.86 3.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.87 1u2g h VAL 363 CO 0.06 0.66 -0.48 0.77 0.02 0.00 0.00 177.57 178.60 1u2g h SER 364 N -0.64 0.92 1.01 0.57 4.64 -1.39 -0.70 113.55 117.96 1u2g h SER 364 Ca -0.10 -0.46 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 1u2g h SER 364 Cb 1.38 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1u2g h SER 364 CO 0.08 1.25 -0.04 1.23 -0.87 0.00 0.00 176.83 178.48 1u2g h GLY 365 N 0.79 0.00 0.00 -0.77 0.00 -1.44 -3.31 103.07 98.34 1u2g h GLY 365 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1u2g h GLY 365 CO 0.11 0.00 -1.59 -0.37 0.00 0.00 0.00 176.54 174.69 1u2g n THR 366 N -3.15 0.29 -2.24 4.70 5.66 -1.17 -4.70 114.28 113.67 1u2g n THR 366 Ca 0.01 -0.33 -0.42 0.00 -3.05 0.00 0.00 64.05 60.26 1u2g n THR 366 Cb 0.33 -0.15 -0.03 0.00 -1.55 0.00 0.00 70.33 68.93 1u2g n THR 366 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u2g n VAL 368 N 4.52 1.18 -3.92 0.00 0.31 -0.52 -3.98 118.33 115.92 1u2g n VAL 368 Ca 0.13 -0.45 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 1u2g n VAL 368 Cb 0.44 -1.22 -0.09 0.00 -0.91 0.00 0.00 33.84 32.05 1u2g n VAL 368 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1u2g s THR 369 N -2.41 0.13 -0.21 2.52 -1.32 -1.24 -1.17 115.64 111.93 1u2g s THR 369 Ca -0.28 -1.10 -0.10 0.00 -1.21 0.00 0.00 61.69 59.01 1u2g s THR 369 Cb 0.07 -0.95 0.08 0.00 -1.51 0.00 0.00 72.50 70.19 1u2g s THR 369 CO 0.48 -0.60 0.49 -0.60 -2.21 0.00 0.00 174.62 172.17 1u2g s ARG 370 N -2.74 0.45 -1.39 7.08 3.52 0.02 -2.04 118.95 123.85 1u2g s ARG 370 Ca -0.04 1.02 -0.06 0.00 -0.13 0.00 0.00 55.73 56.52 1u2g s ARG 370 Cb -0.00 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1u2g s ARG 370 CO -0.05 -0.19 0.47 -0.25 -0.81 0.00 0.00 175.30 174.47 1u2g n ASP 371 N 4.74 -4.83 0.00 -2.12 8.00 -1.26 -2.40 116.55 118.68 1u2g n ASP 371 Ca -0.17 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1u2g n ASP 371 Cb 0.54 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1u2g n ASP 371 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u2g n GLY 372 N -1.28 0.90 3.33 0.44 0.00 -1.26 -4.91 105.19 102.42 1u2g n GLY 372 Ca -0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1u2g n GLY 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2g s ALA 373 N -2.00 -1.09 0.20 4.61 0.00 -1.01 -4.92 121.76 117.55 1u2g s ALA 373 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 1u2g s ALA 373 Cb 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.30 1u2g s ALA 373 CO 0.00 -0.21 1.24 0.42 0.00 0.00 0.00 175.76 177.21 1u2g s ILE 374 N 0.27 3.38 0.00 0.00 1.01 -1.26 -0.80 121.20 123.80 1u2g s ILE 374 Ca -0.00 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1u2g s ILE 374 Cb -0.03 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1u2g s ILE 374 CO 0.00 0.19 0.00 1.33 0.00 0.00 0.00 174.94 176.46 1u2g n VAL 375 N 2.38 0.00 -2.66 2.92 0.24 -0.32 -4.85 118.33 116.04 1u2g n VAL 375 Ca 0.04 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 1u2g n VAL 375 Cb 0.44 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1u2g n VAL 375 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1u2g s HIS 376 N -1.29 3.57 0.37 6.34 5.04 -1.14 -4.94 115.29 123.25 1u2g s HIS 376 Ca 0.00 1.60 0.16 0.00 -1.54 0.00 0.00 55.06 55.28 1u2g s HIS 376 Cb 0.00 -3.19 1.05 0.00 0.04 0.00 0.00 32.58 30.48 1u2g s HIS 376 CO 0.00 -0.27 1.75 -1.35 -2.34 0.00 0.00 174.74 172.53 1u2g h PRO 377 N 6.93 0.42 0.00 2.88 0.11 -1.94 -0.87 132.00 139.53 1u2g h PRO 377 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1u2g h PRO 377 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u2g h PRO 377 CO 0.80 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.87 1u2g h ALA 378 N 1.66 1.00 0.00 -0.75 0.00 -2.00 -3.30 119.26 115.86 1u2g h ALA 378 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1u2g h ALA 378 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1u2g h ALA 378 CO -0.36 0.00 -1.46 1.28 0.00 0.00 0.00 179.25 178.71 1u2g n LEU 379 N -2.88 0.04 -4.77 0.00 4.77 -0.35 -5.02 117.00 108.80 1u2g n LEU 379 Ca 0.01 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 1u2g n LEU 379 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1u2g n LEU 379 CO 0.26 0.01 0.93 0.42 -1.33 0.00 0.00 177.39 177.68 1u2g s THR 380 N -2.76 2.85 -2.00 -5.08 -4.23 -1.08 -5.03 115.64 98.30 1u2g s THR 380 Ca -0.04 0.80 0.15 0.00 -1.18 0.00 0.00 61.69 61.43 1u2g s THR 380 Cb 0.08 -3.49 0.43 0.00 1.34 0.00 0.00 72.50 70.85 1u2g s THR 380 CO 0.49 0.15 1.32 0.61 -0.54 0.00 0.00 174.62 176.65