#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs2 s MET 7 N 0.00 3.05 -0.03 5.56 -1.94 -1.26 -5.01 119.30 119.67 1xs2 s MET 7 Ca 0.00 0.62 0.06 0.00 -1.71 0.00 0.00 55.69 54.66 1xs2 s MET 7 Cb 0.00 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.80 1xs2 s MET 7 CO 0.00 -0.93 -0.22 -0.59 -0.01 0.00 0.00 175.02 173.27 1xs2 s PHE 8 N -3.25 2.06 -0.15 -0.03 -0.12 0.07 -4.91 117.98 111.65 1xs2 s PHE 8 Ca 0.57 -0.49 -0.07 0.00 -0.05 0.00 0.00 56.93 56.89 1xs2 s PHE 8 Cb -0.12 -1.34 -0.04 0.00 -0.63 0.00 0.00 43.02 40.89 1xs2 s PHE 8 CO 0.53 -0.11 0.10 0.21 -0.05 0.00 0.00 175.22 175.90 1xs2 s LYS 9 N -0.32 3.66 -0.43 1.99 2.20 -1.26 0.16 119.74 125.74 1xs2 s LYS 9 Ca 0.03 -0.23 -0.15 0.00 -0.36 0.00 0.00 55.97 55.26 1xs2 s LYS 9 Cb -0.11 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1xs2 s LYS 9 CO 0.01 0.56 0.32 0.42 -0.36 0.00 0.00 175.35 176.29 1xs2 s ILE 10 N -0.41 5.15 -0.07 5.43 1.01 -0.89 -4.12 121.20 127.30 1xs2 s ILE 10 Ca 0.11 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.00 1xs2 s ILE 10 Cb -0.12 -3.94 -0.24 0.00 0.01 0.00 0.00 42.46 38.17 1xs2 s ILE 10 CO 0.02 -0.39 0.54 -0.62 0.00 0.00 0.00 174.94 174.49 1xs2 n GLU 11 N 5.15 0.67 -3.72 2.79 1.02 -0.52 -0.27 120.64 125.76 1xs2 n GLU 11 Ca -0.11 0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1xs2 n GLU 11 Cb 0.46 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 1xs2 n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xs2 s ALA 12 N -2.58 -0.81 0.05 0.62 0.00 -1.18 -4.16 121.76 113.69 1xs2 s ALA 12 Ca -0.11 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.03 1xs2 s ALA 12 Cb 0.07 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1xs2 s ALA 12 CO 0.81 -0.42 -0.12 0.00 0.00 0.00 0.00 175.76 176.03 1xs2 s ALA 13 N -2.46 0.94 -0.05 0.00 0.00 -0.66 -0.33 121.76 119.20 1xs2 s ALA 13 Ca -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1xs2 s ALA 13 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1xs2 s ALA 13 CO -0.03 0.12 -0.14 -1.21 0.00 0.00 0.00 175.76 174.51 1xs2 s GLU 14 N -1.38 1.59 -0.25 0.00 2.02 0.21 -0.69 118.70 120.20 1xs2 s GLU 14 Ca -0.03 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 1xs2 s GLU 14 Cb -0.09 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.75 1xs2 s GLU 14 CO 0.01 0.14 0.07 0.42 0.02 0.00 0.00 175.26 175.92 1xs2 s ILE 15 N 0.30 4.28 -0.14 -1.63 1.01 -0.68 -0.79 121.20 123.54 1xs2 s ILE 15 Ca -0.08 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1xs2 s ILE 15 Cb -0.12 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1xs2 s ILE 15 CO 0.02 0.34 -0.19 -0.69 0.00 0.00 0.00 174.94 174.42 1xs2 s VAL 16 N 1.61 1.87 -0.22 2.92 1.01 -0.80 -1.34 120.40 125.46 1xs2 s VAL 16 Ca 0.06 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1xs2 s VAL 16 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1xs2 s VAL 16 CO 0.03 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.96 1xs2 s VAL 17 N 0.99 3.90 0.20 2.92 1.01 0.28 0.29 120.40 130.00 1xs2 s VAL 17 Ca -0.04 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.71 1xs2 s VAL 17 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1xs2 s VAL 17 CO -0.04 0.40 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 1xs2 s ALA 18 N 1.27 3.00 -0.38 5.51 0.00 -0.14 -1.43 121.76 129.60 1xs2 s ALA 18 Ca 0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1xs2 s ALA 18 Cb -0.15 -0.74 0.10 0.00 0.00 0.00 0.00 23.12 22.33 1xs2 s ALA 18 CO 0.01 0.41 0.14 0.50 0.00 0.00 0.00 175.76 176.82 1xs2 s ARG 19 N -3.06 1.91 -0.22 0.00 3.52 -0.34 0.16 118.95 120.93 1xs2 s ARG 19 Ca 0.27 -1.77 -0.11 0.00 -0.13 0.00 0.00 55.73 53.99 1xs2 s ARG 19 Cb -0.08 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1xs2 s ARG 19 CO 0.16 -0.98 0.16 -1.17 -0.81 0.00 0.00 175.30 172.67 1xs2 s LEU 20 N 1.09 4.16 0.19 -0.88 2.96 0.65 -4.85 118.68 122.00 1xs2 s LEU 20 Ca 0.07 0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.87 1xs2 s LEU 20 Cb -0.21 -2.13 -0.09 0.00 0.50 0.00 0.00 46.19 44.25 1xs2 s LEU 20 CO -0.05 0.11 1.46 -2.84 -1.32 0.00 0.00 176.35 173.71 1xs2 s PRO 21 N 0.74 4.27 0.64 0.98 0.02 -1.26 -0.63 135.00 139.77 1xs2 s PRO 21 Ca 0.09 2.24 -0.12 0.00 0.02 0.00 0.00 61.00 63.23 1xs2 s PRO 21 Cb -0.12 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1xs2 s PRO 21 CO 0.02 -0.47 1.04 -0.51 -0.33 0.00 0.00 177.00 176.76 1xs2 s LEU 22 N 0.48 3.26 0.00 -5.54 1.43 -1.26 -4.20 118.68 112.85 1xs2 s LEU 22 Ca 0.64 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1xs2 s LEU 22 Cb -0.41 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.32 1xs2 s LEU 22 CO 0.36 -1.17 0.48 0.29 0.23 0.00 0.00 176.35 176.54 1xs2 n LYS 23 N -2.73 0.88 0.00 1.70 5.02 -0.35 -4.64 118.16 118.04 1xs2 n LYS 23 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1xs2 n LYS 23 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1xs2 n LYS 23 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xs2 n THR 34 N 0.11 0.00 -4.16 -0.18 5.66 -1.26 -4.98 114.28 109.46 1xs2 n THR 34 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1xs2 n THR 34 Cb 0.24 -0.47 -0.11 0.00 -1.55 0.00 0.00 70.33 68.45 1xs2 n THR 34 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1xs2 s HIS 35 N 0.00 0.99 -0.04 1.09 0.09 -1.26 -4.67 115.29 111.49 1xs2 s HIS 35 Ca 0.00 -0.69 0.04 0.00 -0.00 0.00 0.00 55.06 54.41 1xs2 s HIS 35 Cb 0.00 -0.55 -0.00 0.00 -0.00 0.00 0.00 32.58 32.03 1xs2 s HIS 35 CO 0.00 -0.04 -0.17 0.21 -0.00 0.00 0.00 174.74 174.74 1xs2 s LYS 36 N -2.90 1.79 -0.29 1.40 2.20 0.20 -4.87 119.74 117.27 1xs2 s LYS 36 Ca 0.05 -0.62 -0.28 0.00 -0.36 0.00 0.00 55.97 54.77 1xs2 s LYS 36 Cb -0.02 -1.56 0.01 0.00 -1.51 0.00 0.00 37.83 34.75 1xs2 s LYS 36 CO -0.01 0.25 1.00 0.08 -0.36 0.00 0.00 175.35 176.32 1xs2 s VAL 37 N 0.02 4.61 -0.35 4.02 1.01 -1.26 -0.25 120.40 128.20 1xs2 s VAL 37 Ca -0.03 1.69 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 1xs2 s VAL 37 Cb -0.11 -4.33 0.09 0.00 0.00 0.00 0.00 36.38 32.03 1xs2 s VAL 37 CO 0.02 -0.35 0.09 -0.69 0.00 0.00 0.00 175.10 174.17 1xs2 s VAL 38 N 3.39 2.89 -0.10 2.92 1.01 0.12 -4.94 120.40 125.69 1xs2 s VAL 38 Ca 0.42 -1.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.23 1xs2 s VAL 38 Cb -0.13 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1xs2 s VAL 38 CO 0.12 -0.47 0.78 -2.16 0.00 0.00 0.00 175.10 173.38 1xs2 s PRO 39 N 1.11 4.40 0.07 2.72 0.04 -1.26 -0.97 135.00 141.11 1xs2 s PRO 39 Ca 0.04 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.15 1xs2 s PRO 39 Cb -0.21 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1xs2 s PRO 39 CO -0.04 -0.10 -0.17 -0.51 0.04 0.00 0.00 177.00 176.22 1xs2 s LEU 40 N 1.33 2.68 -0.09 -3.56 1.43 0.15 -0.41 118.68 120.21 1xs2 s LEU 40 Ca 0.40 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1xs2 s LEU 40 Cb -0.18 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1xs2 s LEU 40 CO 0.17 0.23 -0.21 -0.22 0.23 0.00 0.00 176.35 176.55 1xs2 s LEU 41 N -1.70 2.27 -0.20 1.79 2.96 -0.29 -1.90 118.68 121.61 1xs2 s LEU 41 Ca 0.16 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1xs2 s LEU 41 Cb -0.11 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.17 1xs2 s LEU 41 CO 0.07 0.21 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.52 1xs2 s ILE 42 N 0.07 2.01 -0.17 6.68 1.01 0.03 -1.33 121.20 129.51 1xs2 s ILE 42 Ca -0.09 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1xs2 s ILE 42 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1xs2 s ILE 42 CO 0.06 0.33 0.08 -0.76 0.00 0.00 0.00 174.94 174.66 1xs2 s LEU 43 N 1.26 3.98 -0.10 2.97 1.43 0.11 -0.62 118.68 127.71 1xs2 s LEU 43 Ca 0.00 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1xs2 s LEU 43 Cb -0.15 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1xs2 s LEU 43 CO -0.10 0.23 -0.11 -1.00 0.23 0.00 0.00 176.35 175.60 1xs2 s HIS 44 N 0.02 2.84 -0.25 0.29 3.76 0.56 -0.16 115.29 122.34 1xs2 s HIS 44 Ca 0.07 -0.32 -0.32 0.00 -0.15 0.00 0.00 55.06 54.34 1xs2 s HIS 44 Cb -0.12 -1.77 0.17 0.00 1.11 0.00 0.00 32.58 31.97 1xs2 s HIS 44 CO 0.00 0.04 1.30 0.20 -0.85 0.00 0.00 174.74 175.43 1xs2 s GLY 45 N -0.20 -0.09 -1.23 -2.22 0.00 -0.63 -1.43 107.32 101.52 1xs2 s GLY 45 Ca 0.01 2.31 -0.06 0.00 0.00 0.00 0.00 44.72 46.98 1xs2 s GLY 45 CO 0.03 0.88 0.37 1.18 0.00 0.00 0.00 173.10 175.56 1xs2 n GLU 46 N 0.30 -3.24 -0.92 2.90 -0.58 -1.26 -0.80 120.64 117.04 1xs2 n GLU 46 Ca 0.00 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1xs2 n GLU 46 Cb 0.58 -5.23 0.00 0.00 -0.57 0.00 0.00 31.44 26.22 1xs2 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs2 n GLY 47 N -1.10 0.33 3.10 0.62 0.00 -1.26 -4.99 105.19 101.88 1xs2 n GLY 47 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1xs2 n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xs2 n VAL 48 N -2.34 0.00 -3.90 1.61 0.24 0.02 -5.15 118.33 108.81 1xs2 n VAL 48 Ca 0.00 -2.09 -0.10 0.00 -2.04 0.00 0.00 64.34 60.12 1xs2 n VAL 48 Cb 0.17 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 32.96 1xs2 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xs2 s GLN 49 N -3.53 0.59 -0.02 7.34 -2.07 -1.26 -1.61 119.66 119.10 1xs2 s GLN 49 Ca 0.05 -0.66 0.06 0.00 -1.82 0.00 0.00 55.36 53.00 1xs2 s GLN 49 Cb 0.00 0.24 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1xs2 s GLN 49 CO 0.04 -0.15 -0.21 0.20 -1.32 0.00 0.00 175.29 173.84 1xs2 s GLY 50 N -1.96 1.05 -0.02 2.60 0.00 0.78 -4.35 107.32 105.42 1xs2 s GLY 50 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1xs2 s GLY 50 CO -0.03 -0.72 -0.10 0.14 0.00 0.00 0.00 173.10 172.38 1xs2 s VAL 51 N -0.43 0.85 0.17 1.40 1.01 -1.26 0.06 120.40 122.20 1xs2 s VAL 51 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1xs2 s VAL 51 Cb -0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1xs2 s VAL 51 CO -0.00 0.25 0.17 0.00 0.00 0.00 0.00 175.10 175.52 1xs2 s ALA 52 N -0.08 0.66 -0.08 5.51 0.00 -0.44 -4.51 121.76 122.83 1xs2 s ALA 52 Ca 0.01 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.65 1xs2 s ALA 52 Cb -0.06 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1xs2 s ALA 52 CO 0.00 -0.59 -0.19 -2.00 0.00 0.00 0.00 175.76 172.98 1xs2 s GLU 53 N -4.06 2.45 0.29 0.00 2.12 -1.26 -1.14 118.70 117.10 1xs2 s GLU 53 Ca 0.27 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1xs2 s GLU 53 Cb 0.06 -1.91 -0.09 0.00 0.26 0.00 0.00 34.13 32.44 1xs2 s GLU 53 CO 0.05 0.14 1.08 0.20 -0.54 0.00 0.00 175.26 176.19 1xs2 s GLY 54 N 0.41 3.04 0.00 -1.50 0.00 0.45 -4.85 107.32 104.87 1xs2 s GLY 54 Ca -0.16 0.85 0.15 0.00 0.00 0.00 0.00 44.72 45.57 1xs2 s GLY 54 CO 0.06 1.43 0.98 -1.30 0.00 0.00 0.00 173.10 174.28 1xs2 n THR 55 N 1.07 0.00 -1.95 0.90 -2.24 -1.26 -4.49 114.28 106.31 1xs2 n THR 55 Ca -0.01 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 1xs2 n THR 55 Cb 0.45 1.31 0.03 0.00 -2.10 0.00 0.00 70.33 70.03 1xs2 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs2 s MET 56 N -1.30 2.97 0.49 -0.78 0.23 -1.26 -5.05 119.30 114.59 1xs2 s MET 56 Ca 0.18 1.58 0.06 0.00 -1.03 0.00 0.00 55.69 56.47 1xs2 s MET 56 Cb 0.13 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.47 1xs2 s MET 56 CO 0.20 -1.15 0.30 -1.21 -2.03 0.00 0.00 175.02 171.13 1xs2 s GLU 57 N -3.66 2.28 0.19 3.16 2.02 -1.26 -4.57 118.70 116.86 1xs2 s GLU 57 Ca 0.71 -1.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 1xs2 s GLU 57 Cb -0.24 -2.04 0.18 0.00 0.10 0.00 0.00 34.13 32.13 1xs2 s GLU 57 CO 0.35 -0.41 1.76 0.00 0.02 0.00 0.00 175.26 176.98 1xs2 h ALA 58 N 1.02 0.67 -2.81 5.21 0.00 -1.94 -0.70 119.26 120.70 1xs2 h ALA 58 Ca -0.40 0.05 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 1xs2 h ALA 58 Cb 1.29 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1xs2 h ALA 58 CO 0.62 -0.16 -0.75 1.03 0.00 0.00 0.00 179.25 180.00 1xs2 s ARG 59 N -6.12 1.88 -1.20 0.00 0.52 -1.26 -4.43 118.95 108.33 1xs2 s ARG 59 Ca -0.13 -1.44 -0.17 0.00 -0.52 0.00 0.00 55.73 53.47 1xs2 s ARG 59 Cb 0.15 -2.01 0.11 0.00 0.52 0.00 0.00 34.95 33.72 1xs2 s ARG 59 CO 0.74 0.40 1.54 -1.25 0.02 0.00 0.00 175.30 176.75 1xs2 s PRO 60 N -3.02 3.95 -0.23 3.54 0.04 -1.26 -4.72 135.00 133.30 1xs2 s PRO 60 Ca 0.25 -2.09 -0.08 0.00 0.04 0.00 0.00 61.00 59.13 1xs2 s PRO 60 Cb -0.08 -5.30 -0.11 0.00 0.04 0.00 0.00 34.50 29.06 1xs2 s PRO 60 CO 0.14 -2.04 -0.27 -1.33 0.04 0.00 0.00 177.00 173.55 1xs2 n MET 61 N 7.31 0.51 -0.02 4.56 2.81 -1.26 -4.68 117.12 126.35 1xs2 n MET 61 Ca 0.41 0.19 -0.17 0.00 -1.81 0.00 0.00 57.70 56.32 1xs2 n MET 61 Cb 0.46 -1.36 -0.14 0.00 -0.71 0.00 0.00 33.22 31.47 1xs2 n MET 61 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1xs2 h TYR 62 N -0.61 0.24 -0.68 2.03 3.20 -1.96 -3.49 116.97 115.70 1xs2 h TYR 62 Ca -0.56 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.13 1xs2 h TYR 62 Cb 1.58 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1xs2 h TYR 62 CO -0.05 1.17 0.00 -2.13 -1.64 0.00 0.00 178.16 175.51 1xs2 n ARG 63 N -4.38 0.00 0.06 1.82 0.63 -1.26 -5.03 116.66 108.50 1xs2 n ARG 63 Ca -0.13 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.92 1xs2 n ARG 63 Cb 0.64 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.64 1xs2 n ARG 63 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1xs2 n GLU 64 N 0.00 0.37 -3.40 -0.14 0.00 -1.26 -4.48 120.64 111.72 1xs2 n GLU 64 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 57.16 56.91 1xs2 n GLU 64 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 31.44 29.70 1xs2 n GLU 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1xs2 s GLU 65 N -3.23 3.78 0.22 3.44 2.02 -1.26 -4.78 118.70 118.89 1xs2 s GLU 65 Ca 0.04 0.24 0.09 0.00 0.02 0.00 0.00 54.97 55.35 1xs2 s GLU 65 Cb 0.13 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 1xs2 s GLU 65 CO 0.76 0.30 -0.17 0.95 0.02 0.00 0.00 175.26 177.13 1xs2 s THR 66 N -1.85 1.96 0.26 3.63 -4.23 -1.26 -4.12 115.64 110.03 1xs2 s THR 66 Ca 0.47 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 1xs2 s THR 66 Cb -0.11 -2.08 0.24 0.00 1.34 0.00 0.00 72.50 71.89 1xs2 s THR 66 CO 0.22 -0.48 1.77 0.40 -0.54 0.00 0.00 174.62 176.00 1xs2 h ILE 67 N 2.63 0.77 -0.33 2.99 2.04 -1.33 -0.29 117.51 123.99 1xs2 h ILE 67 Ca -0.40 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.09 1xs2 h ILE 67 Cb 1.23 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1xs2 h ILE 67 CO 0.59 0.12 -0.38 0.00 0.00 0.00 0.00 178.15 178.48 1xs2 h ALA 68 N 1.53 0.49 -0.49 1.87 0.00 -1.86 -0.47 119.26 120.32 1xs2 h ALA 68 Ca 0.45 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1xs2 h ALA 68 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xs2 h ALA 68 CO -0.34 0.58 -0.10 0.78 0.00 0.00 0.00 179.25 180.18 1xs2 h GLY 69 N 0.62 1.02 0.76 0.00 0.00 -1.92 -2.56 103.07 101.00 1xs2 h GLY 69 Ca 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1xs2 h GLY 69 CO 0.09 0.75 0.01 0.00 0.00 0.00 0.00 176.54 177.39 1xs2 h ALA 70 N 0.90 0.08 -0.57 3.60 0.00 -0.92 -1.29 119.26 121.06 1xs2 h ALA 70 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1xs2 h ALA 70 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xs2 h ALA 70 CO 0.04 -0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 178.89 1xs2 h LEU 71 N -0.15 1.03 -1.34 0.00 3.38 -1.15 -1.14 115.31 115.94 1xs2 h LEU 71 Ca 0.02 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1xs2 h LEU 71 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xs2 h LEU 71 CO 0.00 1.12 -0.04 -0.78 0.09 0.00 0.00 178.44 178.83 1xs2 h ASP 72 N 0.92 0.36 0.02 -0.43 3.58 -1.46 -1.20 116.42 118.21 1xs2 h ASP 72 Ca 0.15 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 1xs2 h ASP 72 Cb 0.62 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1xs2 h ASP 72 CO 0.04 0.46 -0.47 0.25 -2.88 0.00 0.00 179.24 176.63 1xs2 h LEU 73 N 0.37 0.57 0.18 2.28 5.85 -0.66 -0.93 115.31 122.99 1xs2 h LEU 73 Ca 0.08 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1xs2 h LEU 73 Cb 0.32 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1xs2 h LEU 73 CO 0.01 0.96 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.91 1xs2 h LEU 74 N 0.42 -0.21 -0.30 2.25 3.38 -0.67 -1.31 115.31 118.88 1xs2 h LEU 74 Ca 0.02 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 1xs2 h LEU 74 Cb 0.99 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1xs2 h LEU 74 CO 0.09 0.22 -0.86 0.08 0.09 0.00 0.00 178.44 178.06 1xs2 h ARG 75 N -0.68 0.03 0.00 1.13 0.11 -1.31 0.17 114.38 113.83 1xs2 h ARG 75 Ca -0.02 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1xs2 h ARG 75 Cb 0.49 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1xs2 h ARG 75 CO 0.04 0.87 -0.89 0.78 0.10 0.00 0.00 179.97 180.87 1xs2 h GLY 76 N 2.43 0.00 0.00 0.08 0.00 -1.26 -3.42 103.07 100.91 1xs2 h GLY 76 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1xs2 h GLY 76 CO 0.11 0.00 -0.11 2.41 0.00 0.00 0.00 176.54 178.95 1xs2 n THR 77 N -2.60 0.16 -0.03 4.70 -1.04 -0.58 -4.84 114.28 110.05 1xs2 n THR 77 Ca 0.01 0.05 -0.16 0.00 -2.04 0.00 0.00 64.05 61.91 1xs2 n THR 77 Cb 0.53 -0.75 -0.08 0.00 -1.82 0.00 0.00 70.33 68.21 1xs2 n THR 77 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1xs2 h PHE 78 N 0.00 0.81 -0.17 -1.42 0.04 -1.15 -2.95 116.94 112.10 1xs2 h PHE 78 Ca 0.00 -0.36 -0.08 0.00 2.80 0.00 0.00 57.97 60.33 1xs2 h PHE 78 Cb 0.11 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 1xs2 h PHE 78 CO 0.00 1.15 -0.21 -0.07 -0.60 0.00 0.00 178.31 178.58 1xs2 h LEU 79 N 0.24 0.47 -2.09 1.54 3.38 -0.93 -2.79 115.31 115.13 1xs2 h LEU 79 Ca -0.04 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.45 1xs2 h LEU 79 Cb 1.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xs2 h LEU 79 CO 0.12 0.88 0.07 -0.65 0.09 0.00 0.00 178.44 178.95 1xs2 h PRO 80 N 0.07 0.00 0.00 1.13 0.11 -1.77 0.11 132.00 131.65 1xs2 h PRO 80 Ca 0.02 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1xs2 h PRO 80 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1xs2 h PRO 80 CO 0.05 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.44 1xs2 h ALA 81 N 1.94 1.06 0.00 -0.75 0.00 -1.31 -3.35 119.26 116.85 1xs2 h ALA 81 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xs2 h ALA 81 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xs2 h ALA 81 CO -0.00 0.50 -1.34 0.44 0.00 0.00 0.00 179.25 178.85 1xs2 n ILE 82 N -3.66 0.00 -1.89 0.00 -5.35 -0.53 -4.87 119.36 103.06 1xs2 n ILE 82 Ca -0.01 -0.21 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1xs2 n ILE 82 Cb 0.50 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.71 1xs2 n ILE 82 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1xs2 s LEU 83 N -3.54 4.37 0.00 7.28 1.43 0.26 -1.65 118.68 126.83 1xs2 s LEU 83 Ca -0.03 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1xs2 s LEU 83 Cb 0.06 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1xs2 s LEU 83 CO 0.37 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.62 1xs2 n GLY 84 N 4.15 0.93 3.89 -3.19 0.00 0.63 -4.75 105.19 106.85 1xs2 n GLY 84 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1xs2 n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xs2 s GLN 85 N -0.69 3.69 -0.10 1.61 -1.52 -0.66 -4.84 119.66 117.15 1xs2 s GLN 85 Ca 0.00 0.17 -0.00 0.00 -1.95 0.00 0.00 55.36 53.58 1xs2 s GLN 85 Cb 0.00 -2.56 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 1xs2 s GLN 85 CO 0.00 0.13 -0.07 0.99 -0.25 0.00 0.00 175.29 176.09 1xs2 s THR 86 N -2.18 3.67 0.09 -0.19 2.01 -1.26 -2.09 115.64 115.69 1xs2 s THR 86 Ca 0.47 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1xs2 s THR 86 Cb -0.11 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1xs2 s THR 86 CO 0.30 0.57 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.29 1xs2 s PHE 87 N -0.41 1.34 -0.01 4.92 0.40 0.12 -4.94 117.98 119.40 1xs2 s PHE 87 Ca 0.06 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 1xs2 s PHE 87 Cb -0.12 -0.73 -0.25 0.00 0.51 0.00 0.00 43.02 42.42 1xs2 s PHE 87 CO 0.02 0.10 0.80 0.00 0.70 0.00 0.00 175.22 176.84 1xs2 h ALA 88 N 4.05 0.45 -2.88 5.36 0.00 -1.95 0.22 119.26 124.51 1xs2 h ALA 88 Ca -0.41 -1.22 0.06 0.00 0.00 0.00 0.00 54.91 53.34 1xs2 h ALA 88 Cb 1.19 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1xs2 h ALA 88 CO 0.43 1.31 0.30 0.54 0.00 0.00 0.00 179.25 181.83 1xs2 s ASN 89 N -6.69 -0.14 0.49 0.00 6.03 -1.26 -4.82 114.94 108.54 1xs2 s ASN 89 Ca -0.08 -0.76 0.16 0.00 -1.03 0.00 0.00 52.86 51.15 1xs2 s ASN 89 Cb 0.08 0.72 1.19 0.00 -3.03 0.00 0.00 41.25 40.20 1xs2 s ASN 89 CO 0.83 -1.38 2.06 -0.65 -2.03 0.00 0.00 177.10 175.94 1xs2 h PRO 90 N 2.00 0.17 -0.58 3.55 0.11 -1.94 -2.33 132.00 132.98 1xs2 h PRO 90 Ca -0.25 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 1xs2 h PRO 90 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xs2 h PRO 90 CO 0.30 0.11 -0.03 0.93 -0.21 0.00 0.00 178.00 179.10 1xs2 h GLU 91 N 0.17 1.03 -0.21 1.05 3.07 -1.95 -2.25 114.58 115.48 1xs2 h GLU 91 Ca 0.14 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 1xs2 h GLU 91 Cb 0.36 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1xs2 h GLU 91 CO -0.02 1.03 0.05 0.00 -1.40 0.00 0.00 179.01 178.67 1xs2 h ALA 92 N 1.01 1.70 -0.01 3.43 0.00 -1.82 -1.74 119.26 121.83 1xs2 h ALA 92 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xs2 h ALA 92 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xs2 h ALA 92 CO 0.04 0.24 0.00 0.28 0.00 0.00 0.00 179.25 179.80 1xs2 h VAL 93 N 0.30 1.21 -0.58 0.00 2.07 -1.27 -2.49 116.25 115.49 1xs2 h VAL 93 Ca 0.07 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1xs2 h VAL 93 Cb 0.12 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1xs2 h VAL 93 CO -0.00 0.16 0.23 0.28 0.02 0.00 0.00 177.57 178.25 1xs2 h SER 94 N -0.24 0.25 0.25 0.57 0.02 -1.16 -1.78 113.55 111.45 1xs2 h SER 94 Ca 0.00 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1xs2 h SER 94 Cb 0.26 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1xs2 h SER 94 CO 0.00 0.16 -0.13 -0.78 -1.14 0.00 0.00 176.83 174.94 1xs2 h ASP 95 N 0.42 0.00 0.76 3.07 3.58 -1.24 -1.72 116.42 121.29 1xs2 h ASP 95 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1xs2 h ASP 95 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1xs2 h ASP 95 CO -0.27 0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.22 1xs2 n ALA 96 N -2.36 2.15 -1.19 -0.78 0.00 -0.67 -2.56 120.51 115.10 1xs2 n ALA 96 Ca -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1xs2 n ALA 96 Cb 0.22 -1.40 0.22 0.00 0.00 0.00 0.00 19.45 18.49 1xs2 n ALA 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xs2 n LEU 97 N -1.45 6.35 0.02 0.00 4.77 -0.65 -4.90 117.00 121.14 1xs2 n LEU 97 Ca 0.07 -3.50 -0.12 0.00 -0.03 0.00 0.00 56.01 52.43 1xs2 n LEU 97 Cb 0.27 -0.80 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1xs2 n LEU 97 CO 0.22 0.99 0.77 1.23 -1.33 0.00 0.00 177.39 179.27 1xs2 h GLY 98 N 1.52 -0.01 -0.91 -0.72 0.00 -1.62 -3.29 103.07 98.03 1xs2 h GLY 98 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1xs2 h GLY 98 CO 0.94 -0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.34 1xs2 n SER 99 N -5.00 1.31 -4.94 0.19 3.41 -1.26 -4.89 113.62 102.45 1xs2 n SER 99 Ca -0.08 -2.03 -0.26 0.00 -0.26 0.00 0.00 58.87 56.24 1xs2 n SER 99 Cb 0.13 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 1xs2 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xs2 s TYR 100 N -1.69 3.48 -0.07 7.33 1.51 -1.24 -5.07 117.35 121.60 1xs2 s TYR 100 Ca 0.15 0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 56.46 1xs2 s TYR 100 Cb 0.08 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1xs2 s TYR 100 CO 0.09 0.39 0.01 1.03 -1.11 0.00 0.00 175.55 175.96 1xs2 s ARG 101 N -3.44 2.97 4.89 -0.62 0.52 -1.26 -4.98 118.95 117.04 1xs2 s ARG 101 Ca 0.37 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1xs2 s ARG 101 Cb -0.11 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.57 1xs2 s ARG 101 CO 0.29 0.69 0.00 0.41 0.02 0.00 0.00 175.30 176.72 1xs2 n GLY 102 N 2.02 2.44 3.90 -3.53 0.00 -1.26 -4.90 105.19 103.86 1xs2 n GLY 102 Ca -0.18 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1xs2 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xs2 n ASN 103 N -0.12 -2.34 -0.06 1.61 4.13 -1.26 -4.89 115.26 112.33 1xs2 n ASN 103 Ca 0.00 -0.88 -0.07 0.00 1.68 0.00 0.00 54.58 55.31 1xs2 n ASN 103 Cb 0.00 -3.58 0.11 0.00 -1.54 0.00 0.00 39.78 34.77 1xs2 n ASN 103 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1xs2 h ARG 104 N -1.88 0.70 -0.56 3.52 3.08 -1.87 -1.94 114.38 115.43 1xs2 h ARG 104 Ca -0.60 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.12 1xs2 h ARG 104 Cb 1.37 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 1xs2 h ARG 104 CO 0.64 0.87 0.18 0.52 -1.07 0.00 0.00 179.97 181.12 1xs2 h MET 105 N 0.61 0.86 -0.51 0.04 2.86 -1.81 0.13 114.93 117.11 1xs2 h MET 105 Ca 0.08 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1xs2 h MET 105 Cb 0.73 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1xs2 h MET 105 CO 0.06 0.78 0.13 0.00 1.06 0.00 0.00 176.91 178.94 1xs2 h ALA 106 N 1.05 0.67 -0.80 6.32 0.00 -1.83 -1.26 119.26 123.39 1xs2 h ALA 106 Ca 0.18 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xs2 h ALA 106 Cb 0.27 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1xs2 h ALA 106 CO -0.01 0.35 0.52 0.00 0.00 0.00 0.00 179.25 180.12 1xs2 h ARG 107 N 0.70 0.92 0.00 0.00 3.08 -1.04 -2.65 114.38 115.39 1xs2 h ARG 107 Ca 0.16 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1xs2 h ARG 107 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xs2 h ARG 107 CO -0.00 0.61 -0.34 0.00 -1.07 0.00 0.00 179.97 179.17 1xs2 h ALA 108 N 1.54 1.30 -0.72 0.04 0.00 0.44 -1.61 119.26 120.24 1xs2 h ALA 108 Ca 0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xs2 h ALA 108 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xs2 h ALA 108 CO -0.10 0.43 0.24 0.52 0.00 0.00 0.00 179.25 180.34 1xs2 h MET 109 N 0.00 1.10 0.16 0.00 2.86 -1.06 -1.00 114.93 116.99 1xs2 h MET 109 Ca -0.00 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xs2 h MET 109 Cb 0.66 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1xs2 h MET 109 CO 0.04 0.93 -0.07 0.28 1.06 0.00 0.00 176.91 179.15 1xs2 h VAL 110 N 1.05 0.97 -1.00 -2.22 2.07 -1.37 -2.89 116.25 112.87 1xs2 h VAL 110 Ca 0.23 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1xs2 h VAL 110 Cb 0.28 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1xs2 h VAL 110 CO -0.01 0.22 0.65 -0.08 0.02 0.00 0.00 177.57 178.36 1xs2 h GLU 111 N -0.72 1.18 0.15 1.57 4.22 -1.33 0.11 114.58 119.74 1xs2 h GLU 111 Ca -0.02 -0.07 -0.27 0.00 0.08 0.00 0.00 59.36 59.07 1xs2 h GLU 111 Cb 0.51 -0.27 0.03 0.00 0.50 0.00 0.00 28.75 29.53 1xs2 h GLU 111 CO 0.03 0.78 -1.16 0.52 -2.18 0.00 0.00 179.01 177.00 1xs2 h MET 112 N 1.21 0.52 -0.83 1.92 2.86 -1.28 -1.44 114.93 117.89 1xs2 h MET 112 Ca 0.42 -0.76 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1xs2 h MET 112 Cb 0.10 0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1xs2 h MET 112 CO -0.15 1.35 0.55 0.00 1.06 0.00 0.00 176.91 179.71 1xs2 h ALA 113 N 0.21 1.40 -0.82 6.32 0.00 -1.27 -1.53 119.26 123.58 1xs2 h ALA 113 Ca -0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xs2 h ALA 113 Cb 1.87 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1xs2 h ALA 113 CO 0.22 0.55 0.46 0.00 0.00 0.00 0.00 179.25 180.48 1xs2 h ALA 114 N 1.48 1.27 -0.61 0.00 0.00 -0.63 -1.47 119.26 119.29 1xs2 h ALA 114 Ca 0.30 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1xs2 h ALA 114 Cb -0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 1xs2 h ALA 114 CO -0.07 0.60 0.05 -1.49 0.00 0.00 0.00 179.25 178.34 1xs2 h TRP 115 N 1.14 1.10 -0.10 0.00 4.06 -0.32 -0.26 115.95 121.57 1xs2 h TRP 115 Ca 0.29 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 61.05 1xs2 h TRP 115 Cb 0.01 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 27.87 1xs2 h TRP 115 CO 0.01 0.95 -0.05 0.22 -3.56 0.00 0.00 178.44 176.01 1xs2 h ASP 116 N 0.95 0.21 0.17 -3.49 3.58 -1.08 -0.71 116.42 116.07 1xs2 h ASP 116 Ca 0.18 -0.43 0.01 0.00 0.42 0.00 0.00 57.03 57.21 1xs2 h ASP 116 Cb 0.48 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1xs2 h ASP 116 CO 0.02 0.59 -0.22 0.25 -2.88 0.00 0.00 179.24 177.00 1xs2 h LEU 117 N -0.17 -0.61 -0.34 2.28 5.85 -1.23 -0.55 115.31 120.54 1xs2 h LEU 117 Ca 0.02 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1xs2 h LEU 117 Cb 0.52 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1xs2 h LEU 117 CO 0.02 -0.32 -0.19 -0.25 -0.34 0.00 0.00 178.44 177.35 1xs2 h TRP 118 N -0.45 -0.48 -0.69 1.25 -0.00 -1.00 -0.10 115.95 114.48 1xs2 h TRP 118 Ca 0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1xs2 h TRP 118 Cb 0.44 0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.83 1xs2 h TRP 118 CO -0.18 -0.27 0.38 0.00 -0.00 0.00 0.00 178.44 178.37 1xs2 h ALA 119 N 1.08 1.37 0.00 2.65 0.00 -0.90 -2.11 119.26 121.35 1xs2 h ALA 119 Ca 0.17 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1xs2 h ALA 119 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xs2 h ALA 119 CO -0.43 0.52 -0.61 0.00 0.00 0.00 0.00 179.25 178.73 1xs2 h ARG 120 N 0.96 0.00 0.00 0.00 3.08 0.11 -0.36 114.38 118.17 1xs2 h ARG 120 Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1xs2 h ARG 120 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xs2 h ARG 120 CO -0.04 0.61 -0.19 1.79 -1.07 0.00 0.00 179.97 181.07 1xs2 h THR 121 N 0.00 0.69 0.00 2.04 1.35 -0.39 -2.94 112.91 113.66 1xs2 h THR 121 Ca -0.01 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1xs2 h THR 121 Cb 1.22 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1xs2 h THR 121 CO 0.08 0.19 -0.99 0.18 -0.25 0.00 0.00 175.52 174.73 1xs2 n LEU 122 N -3.66 0.63 -0.57 3.87 4.77 -0.92 -4.98 117.00 116.14 1xs2 n LEU 122 Ca -0.01 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1xs2 n LEU 122 Cb 0.32 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1xs2 n LEU 122 CO 0.32 -0.01 -0.07 0.61 -1.33 0.00 0.00 177.39 176.92 1xs2 n GLY 123 N 1.34 0.62 3.34 -0.72 0.00 -0.30 -5.05 105.19 104.42 1xs2 n GLY 123 Ca 0.02 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1xs2 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xs2 s VAL 124 N -2.26 2.42 0.35 1.61 1.01 -0.30 -4.69 120.40 118.53 1xs2 s VAL 124 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 1xs2 s VAL 124 Cb 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 36.38 34.35 1xs2 s VAL 124 CO 0.00 0.57 1.14 -2.65 0.00 0.00 0.00 175.10 174.17 1xs2 n PRO 125 N 2.76 1.71 0.22 2.72 -0.02 -1.25 -1.59 135.00 139.56 1xs2 n PRO 125 Ca -0.17 0.60 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1xs2 n PRO 125 Cb 0.52 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1xs2 n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xs2 h LEU 126 N 2.13 -0.43 -1.59 2.45 5.85 -1.33 -2.77 115.31 119.62 1xs2 h LEU 126 Ca -0.44 -0.02 0.26 0.00 0.84 0.00 0.00 57.88 58.53 1xs2 h LEU 126 Cb 1.31 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 1xs2 h LEU 126 CO 0.60 -0.26 0.68 1.23 -0.34 0.00 0.00 178.44 180.35 1xs2 h GLY 127 N -0.57 0.76 1.14 3.75 0.00 -1.83 -1.36 103.07 104.96 1xs2 h GLY 127 Ca -0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1xs2 h GLY 127 CO 0.09 -0.06 -0.14 -0.84 0.00 0.00 0.00 176.54 175.58 1xs2 h THR 128 N 0.27 1.27 0.00 4.70 2.02 -1.66 0.53 112.91 120.04 1xs2 h THR 128 Ca 0.54 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 1xs2 h THR 128 Cb 1.59 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1xs2 h THR 128 CO -0.18 0.46 -0.33 -0.07 0.37 0.00 0.00 175.52 175.77 1xs2 h LEU 129 N 0.88 0.00 -0.09 2.58 3.38 -1.14 -2.24 115.31 118.68 1xs2 h LEU 129 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xs2 h LEU 129 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1xs2 h LEU 129 CO 0.05 0.33 -0.34 0.18 0.09 0.00 0.00 178.44 178.75 1xs2 n LEU 130 N -3.56 0.49 0.00 1.67 4.77 -0.97 -4.95 117.00 114.45 1xs2 n LEU 130 Ca -0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1xs2 n LEU 130 Cb 0.46 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xs2 n LEU 130 CO 0.36 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1xs2 n GLY 131 N 1.45 0.77 3.82 -0.72 0.00 -0.69 -5.03 105.19 104.80 1xs2 n GLY 131 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1xs2 n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xs2 s GLY 132 N -1.04 2.26 -0.30 -0.02 0.00 0.09 -4.91 107.32 103.40 1xs2 s GLY 132 Ca 0.00 0.37 0.19 0.00 0.00 0.00 0.00 44.72 45.28 1xs2 s GLY 132 CO 0.00 0.66 1.05 -2.39 0.00 0.00 0.00 173.10 172.42 1xs2 n HIS 133 N -1.27 0.92 -4.00 1.90 1.44 -1.22 -4.18 115.22 108.80 1xs2 n HIS 133 Ca 0.08 -2.46 -0.32 0.00 -2.01 0.00 0.00 57.72 53.01 1xs2 n HIS 133 Cb 0.53 -0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.42 1xs2 n HIS 133 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1xs2 s LYS 134 N -3.13 3.17 -0.02 -1.40 1.02 -1.25 -5.00 119.74 113.13 1xs2 s LYS 134 Ca 0.26 -0.51 0.19 0.00 0.02 0.00 0.00 55.97 55.93 1xs2 s LYS 134 Cb 0.40 -2.90 -0.26 0.00 -0.52 0.00 0.00 37.83 34.55 1xs2 s LYS 134 CO -0.00 0.62 0.58 0.39 -0.92 0.00 0.00 175.35 176.01 1xs2 n GLU 135 N 0.67 0.66 -3.84 1.68 1.02 -1.26 -4.89 120.64 114.68 1xs2 n GLU 135 Ca -0.09 -0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 56.85 1xs2 n GLU 135 Cb 0.52 -1.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 1xs2 n GLU 135 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1xs2 s GLN 136 N -3.12 1.05 0.06 3.49 -2.07 -1.26 -1.29 119.66 116.51 1xs2 s GLN 136 Ca -0.01 -0.98 0.06 0.00 -1.82 0.00 0.00 55.36 52.60 1xs2 s GLN 136 Cb 0.13 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.42 1xs2 s GLN 136 CO 0.80 -0.38 -0.17 0.14 -1.32 0.00 0.00 175.29 174.36 1xs2 s VAL 137 N -3.89 1.33 0.25 3.63 -7.23 -0.43 -4.94 120.40 109.12 1xs2 s VAL 137 Ca 0.09 -1.22 -0.26 0.00 -1.81 0.00 0.00 61.98 58.78 1xs2 s VAL 137 Cb 0.03 -1.21 -0.09 0.00 0.56 0.00 0.00 36.38 35.67 1xs2 s VAL 137 CO -0.06 -0.04 0.87 -1.61 -0.31 0.00 0.00 175.10 173.95 1xs2 s GLU 138 N -1.46 4.58 0.15 4.82 2.02 -1.26 -0.81 118.70 126.74 1xs2 s GLU 138 Ca 0.03 1.25 0.10 0.00 0.02 0.00 0.00 54.97 56.36 1xs2 s GLU 138 Cb -0.09 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1xs2 s GLU 138 CO 0.02 0.42 -0.22 0.14 0.02 0.00 0.00 175.26 175.64 1xs2 s VAL 139 N -1.40 2.00 0.48 2.63 -7.23 -0.42 -1.64 120.40 114.82 1xs2 s VAL 139 Ca 0.44 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1xs2 s VAL 139 Cb -0.21 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1xs2 s VAL 139 CO 0.26 -0.12 0.07 -0.83 -0.31 0.00 0.00 175.10 174.17 1xs2 s GLY 140 N -2.33 2.77 0.12 2.32 0.00 -0.38 -1.93 107.32 107.88 1xs2 s GLY 140 Ca 0.14 -1.07 0.09 0.00 0.00 0.00 0.00 44.72 43.88 1xs2 s GLY 140 CO 0.07 -2.12 -0.21 0.54 0.00 0.00 0.00 173.10 171.38 1xs2 s VAL 141 N -2.80 1.79 -0.15 1.40 0.11 -0.91 -4.69 120.40 115.15 1xs2 s VAL 141 Ca 0.19 -1.64 0.02 0.00 -2.93 0.00 0.00 61.98 57.62 1xs2 s VAL 141 Cb 0.03 -1.66 0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1xs2 s VAL 141 CO 0.10 -0.10 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.13 1xs2 s SER 142 N -2.07 3.16 -0.14 3.54 0.01 -1.26 -1.75 113.70 115.19 1xs2 s SER 142 Ca 0.09 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1xs2 s SER 142 Cb -0.09 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 1xs2 s SER 142 CO 0.05 0.07 -0.09 -0.76 0.41 0.00 0.00 173.24 172.91 1xs2 s LEU 143 N 0.90 2.94 1.14 2.44 1.02 0.30 -4.98 118.68 122.44 1xs2 s LEU 143 Ca -0.05 -0.24 -0.18 0.00 0.02 0.00 0.00 54.13 53.69 1xs2 s LEU 143 Cb -0.15 -1.68 0.26 0.00 0.02 0.00 0.00 46.19 44.64 1xs2 s LEU 143 CO -0.04 0.17 1.13 -0.83 0.02 0.00 0.00 176.35 176.80 1xs2 s GLY 144 N 0.31 1.59 0.08 -3.19 0.00 -1.26 -1.58 107.32 103.27 1xs2 s GLY 144 Ca -0.07 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.48 1xs2 s GLY 144 CO 0.04 -0.04 1.42 -0.42 0.00 0.00 0.00 173.10 174.10 1xs2 s ILE 145 N -3.08 3.38 0.52 0.90 1.01 -1.26 -4.64 121.20 118.03 1xs2 s ILE 145 Ca 0.70 0.93 0.08 0.00 0.00 0.00 0.00 60.65 62.37 1xs2 s ILE 145 Cb -0.11 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 38.82 1xs2 s ILE 145 CO 0.56 0.05 0.72 -1.10 0.00 0.00 0.00 174.94 175.17 1xs2 s GLN 146 N 1.58 2.47 0.22 2.79 -1.52 -1.26 -5.04 119.66 118.90 1xs2 s GLN 146 Ca 0.65 -1.45 0.02 0.00 -1.95 0.00 0.00 55.36 52.62 1xs2 s GLN 146 Cb -0.36 -2.67 0.20 0.00 -0.22 0.00 0.00 33.01 29.96 1xs2 s GLN 146 CO 0.29 -0.67 1.54 0.00 -0.25 0.00 0.00 175.29 176.20 1xs2 h ALA 147 N 0.31 0.80 -2.30 6.09 0.00 -1.95 -3.48 119.26 118.73 1xs2 h ALA 147 Ca -0.34 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1xs2 h ALA 147 Cb 1.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xs2 h ALA 147 CO 0.43 0.71 0.03 -0.40 0.00 0.00 0.00 179.25 180.02 1xs2 n ASP 148 N -3.91 -0.35 -0.02 0.00 3.85 -1.26 -5.07 116.55 109.80 1xs2 n ASP 148 Ca -0.03 -1.27 -0.12 0.00 -0.71 0.00 0.00 54.79 52.66 1xs2 n ASP 148 Cb 0.61 0.59 -0.08 0.00 -1.35 0.00 0.00 41.12 40.89 1xs2 n ASP 148 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1xs2 h GLU 149 N 0.00 0.10 0.00 0.11 5.08 -1.92 -2.78 114.58 115.17 1xs2 h GLU 149 Ca -0.05 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1xs2 h GLU 149 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xs2 h GLU 149 CO 0.07 0.39 -0.58 1.96 -1.00 0.00 0.00 179.01 179.85 1xs2 h GLN 150 N -0.20 0.00 -0.12 2.33 1.08 -1.98 -0.96 115.11 115.27 1xs2 h GLN 150 Ca 0.02 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1xs2 h GLN 150 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1xs2 h GLN 150 CO 0.00 0.58 -0.38 0.00 -0.95 0.00 0.00 178.83 178.08 1xs2 h ALA 151 N 1.42 1.15 -0.34 3.87 0.00 -1.98 0.21 119.26 123.59 1xs2 h ALA 151 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1xs2 h ALA 151 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xs2 h ALA 151 CO 0.08 0.57 -0.21 1.15 0.00 0.00 0.00 179.25 180.83 1xs2 h THR 152 N 0.21 1.29 -0.47 0.00 2.02 -1.06 -2.78 112.91 112.12 1xs2 h THR 152 Ca 0.02 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.73 1xs2 h THR 152 Cb 0.77 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1xs2 h THR 152 CO 0.06 0.44 -0.19 0.58 0.37 0.00 0.00 175.52 176.78 1xs2 h VAL 153 N 0.51 1.27 -0.54 3.16 2.07 -0.86 -1.99 116.25 119.87 1xs2 h VAL 153 Ca 0.07 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1xs2 h VAL 153 Cb 0.77 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1xs2 h VAL 153 CO 0.06 0.47 0.12 -0.78 0.02 0.00 0.00 177.57 177.46 1xs2 h ASP 154 N 0.82 0.84 -0.68 0.57 1.82 -0.99 0.12 116.42 118.92 1xs2 h ASP 154 Ca 0.11 -0.24 -0.07 0.00 -0.39 0.00 0.00 57.03 56.44 1xs2 h ASP 154 Cb 0.77 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1xs2 h ASP 154 CO 0.06 0.86 0.17 0.25 -1.61 0.00 0.00 179.24 178.98 1xs2 h LEU 155 N 0.78 1.04 -0.74 2.28 5.85 -1.43 -1.62 115.31 121.46 1xs2 h LEU 155 Ca 0.17 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1xs2 h LEU 155 Cb 0.36 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1xs2 h LEU 155 CO 0.00 0.99 0.32 0.58 -0.34 0.00 0.00 178.44 179.99 1xs2 h VAL 156 N 1.04 1.25 -0.60 1.05 2.07 -1.02 -2.34 116.25 117.70 1xs2 h VAL 156 Ca 0.22 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1xs2 h VAL 156 Cb 0.36 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1xs2 h VAL 156 CO 0.00 0.31 0.37 -0.09 0.02 0.00 0.00 177.57 178.18 1xs2 h ARG 157 N 1.06 0.80 -0.46 1.57 2.43 -0.67 0.02 114.38 119.14 1xs2 h ARG 157 Ca 0.25 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.43 1xs2 h ARG 157 Cb 0.19 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 1xs2 h ARG 157 CO -0.02 0.57 0.08 -0.09 -1.51 0.00 0.00 179.97 179.00 1xs2 h ARG 158 N 0.81 0.21 0.03 0.20 2.43 -0.99 -2.63 114.38 114.44 1xs2 h ARG 158 Ca 0.21 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 1xs2 h ARG 158 Cb -0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1xs2 h ARG 158 CO -0.04 0.14 -0.99 0.45 -1.51 0.00 0.00 179.97 178.02 1xs2 h HIS 159 N 0.22 0.27 -0.86 2.20 3.86 -0.80 -1.75 115.15 118.29 1xs2 h HIS 159 Ca 0.23 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1xs2 h HIS 159 Cb 0.29 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 1xs2 h HIS 159 CO -0.22 1.05 0.57 0.28 0.86 0.00 0.00 177.93 180.46 1xs2 h VAL 160 N 0.07 1.18 0.00 2.45 2.07 -1.03 -2.61 116.25 118.39 1xs2 h VAL 160 Ca -0.06 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1xs2 h VAL 160 Cb 1.67 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1xs2 h VAL 160 CO 0.15 0.20 -0.28 -0.08 0.02 0.00 0.00 177.57 177.59 1xs2 h GLU 161 N 1.12 0.00 0.00 1.57 4.57 -0.98 -1.92 114.58 118.94 1xs2 h GLU 161 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1xs2 h GLU 161 Cb -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1xs2 h GLU 161 CO -0.09 0.28 0.00 1.04 -1.18 0.00 0.00 179.01 179.06 1xs2 n GLN 162 N -3.30 0.08 -0.05 1.92 6.02 -0.73 -4.92 117.38 116.39 1xs2 n GLN 162 Ca 0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1xs2 n GLN 162 Cb 0.53 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1xs2 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs2 n GLY 163 N 1.43 0.97 3.74 1.08 0.00 -0.72 -3.90 105.19 107.80 1xs2 n GLY 163 Ca 0.07 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1xs2 n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xs2 s TYR 164 N -2.00 2.15 -2.05 1.61 1.51 -1.08 -2.96 117.35 114.54 1xs2 s TYR 164 Ca 0.00 1.44 0.17 0.00 -1.01 0.00 0.00 57.07 57.67 1xs2 s TYR 164 Cb 0.00 -3.74 0.17 0.00 -0.11 0.00 0.00 41.96 38.28 1xs2 s TYR 164 CO 0.00 -2.93 1.08 0.54 -1.11 0.00 0.00 175.55 173.12 1xs2 n ARG 165 N -1.55 1.51 -3.72 -0.62 1.74 -0.81 -4.77 116.66 108.44 1xs2 n ARG 165 Ca 0.14 -1.60 -0.13 0.00 -0.77 0.00 0.00 57.85 55.48 1xs2 n ARG 165 Cb 0.47 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 1xs2 n ARG 165 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs2 s ARG 166 N -1.37 0.52 -0.16 5.56 3.00 -1.26 -4.57 118.95 120.67 1xs2 s ARG 166 Ca 0.21 0.62 -0.05 0.00 -1.00 0.00 0.00 55.73 55.51 1xs2 s ARG 166 Cb 0.15 0.25 -0.03 0.00 0.00 0.00 0.00 34.95 35.32 1xs2 s ARG 166 CO 0.22 -0.06 0.01 0.42 0.00 0.00 0.00 175.30 175.88 1xs2 s ILE 167 N 0.23 4.33 -0.20 4.11 -1.09 -0.43 -2.14 121.20 126.02 1xs2 s ILE 167 Ca -0.00 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1xs2 s ILE 167 Cb -0.03 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1xs2 s ILE 167 CO 0.01 0.48 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.35 1xs2 s LYS 168 N 0.30 3.26 -0.19 2.79 2.20 -0.72 -0.55 119.74 126.82 1xs2 s LYS 168 Ca -0.00 -0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 54.84 1xs2 s LYS 168 Cb -0.13 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1xs2 s LYS 168 CO 0.02 -0.16 0.07 -0.51 -0.36 0.00 0.00 175.35 174.41 1xs2 s LEU 169 N 1.31 3.80 -0.03 5.43 1.43 0.17 -0.54 118.68 130.25 1xs2 s LEU 169 Ca 0.04 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1xs2 s LEU 169 Cb -0.14 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1xs2 s LEU 169 CO -0.05 0.14 1.39 -0.75 0.23 0.00 0.00 176.35 177.31 1xs2 s LYS 170 N 0.56 4.27 0.30 1.70 2.20 -0.62 -0.65 119.74 127.52 1xs2 s LYS 170 Ca 0.04 1.93 0.10 0.00 -0.36 0.00 0.00 55.97 57.68 1xs2 s LYS 170 Cb -0.13 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1xs2 s LYS 170 CO 0.01 -0.60 -0.08 0.96 -0.36 0.00 0.00 175.35 175.28 1xs2 s ILE 171 N 2.64 2.73 0.18 5.43 -4.36 -0.81 -4.45 121.20 122.56 1xs2 s ILE 171 Ca 0.63 -2.14 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 1xs2 s ILE 171 Cb -0.30 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 40.80 1xs2 s ILE 171 CO 0.25 -0.32 0.39 -1.59 0.24 0.00 0.00 174.94 173.91 1xs2 s LYS 172 N -3.62 1.25 0.34 0.37 -2.85 -0.76 -4.60 119.74 109.88 1xs2 s LYS 172 Ca 0.32 -1.04 -0.28 0.00 -1.00 0.00 0.00 55.97 53.97 1xs2 s LYS 172 Cb -0.03 0.44 -0.12 0.00 -2.06 0.00 0.00 37.83 36.06 1xs2 s LYS 172 CO 0.18 -0.49 1.38 -2.30 0.10 0.00 0.00 175.35 174.21 1xs2 n PRO 173 N -0.27 2.33 0.00 1.78 -0.02 -1.26 -0.12 135.00 137.44 1xs2 n PRO 173 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xs2 n PRO 173 Cb 0.63 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1xs2 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs2 n GLY 174 N 0.85 3.09 2.33 -1.23 0.00 -1.26 -4.92 105.19 104.05 1xs2 n GLY 174 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1xs2 n GLY 174 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xs2 n TRP 175 N -2.00 -0.86 0.07 1.61 -0.00 0.83 -4.94 117.44 112.14 1xs2 n TRP 175 Ca 0.00 -3.31 0.00 0.00 -0.00 0.00 0.00 57.50 54.19 1xs2 n TRP 175 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.39 1xs2 n TRP 175 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1xs2 n ASP 176 N 2.21 -0.28 0.07 5.87 3.85 -1.24 -1.82 116.55 125.21 1xs2 n ASP 176 Ca 0.25 0.25 0.04 0.00 -0.71 0.00 0.00 54.79 54.62 1xs2 n ASP 176 Cb 0.51 0.39 0.46 0.00 -1.35 0.00 0.00 41.12 41.13 1xs2 n ASP 176 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1xs2 h VAL 177 N 0.00 1.09 0.56 2.12 2.07 -1.92 -2.78 116.25 117.40 1xs2 h VAL 177 Ca 0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1xs2 h VAL 177 Cb 0.00 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1xs2 h VAL 177 CO 0.00 0.10 -0.27 1.56 0.02 0.00 0.00 177.57 178.98 1xs2 h GLN 178 N 0.39 -0.73 -0.69 1.57 7.50 -1.92 0.17 115.11 121.40 1xs2 h GLN 178 Ca 0.10 0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.28 1xs2 h GLN 178 Cb 0.02 0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.68 1xs2 h GLN 178 CO -0.02 -0.42 0.36 -1.00 -1.50 0.00 0.00 178.83 176.25 1xs2 h PRO 179 N -1.05 0.96 -0.08 1.46 0.13 -1.89 -1.57 132.00 129.95 1xs2 h PRO 179 Ca -0.08 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1xs2 h PRO 179 Cb 0.64 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1xs2 h PRO 179 CO 0.13 0.72 -0.02 0.28 -0.23 0.00 0.00 178.00 178.87 1xs2 h VAL 180 N 0.96 1.29 -0.14 1.56 2.07 -1.40 -1.00 116.25 119.59 1xs2 h VAL 180 Ca 0.24 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1xs2 h VAL 180 Cb 0.05 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1xs2 h VAL 180 CO -0.04 0.26 -0.26 -0.09 0.02 0.00 0.00 177.57 177.46 1xs2 h ARG 181 N -0.18 -0.31 -0.91 1.57 2.43 -0.54 0.10 114.38 116.53 1xs2 h ARG 181 Ca 0.02 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1xs2 h ARG 181 Cb 0.42 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1xs2 h ARG 181 CO 0.01 -0.21 0.60 0.00 -1.51 0.00 0.00 179.97 178.85 1xs2 h ALA 182 N 0.60 1.16 -0.18 2.80 0.00 -1.22 -1.20 119.26 121.22 1xs2 h ALA 182 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1xs2 h ALA 182 Cb 0.48 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xs2 h ALA 182 CO -0.33 0.57 -0.25 1.15 0.00 0.00 0.00 179.25 180.39 1xs2 h THR 183 N 1.24 1.34 -0.25 0.00 2.02 -0.84 -2.69 112.91 113.74 1xs2 h THR 183 Ca 0.33 -1.46 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 1xs2 h THR 183 Cb -0.13 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1xs2 h THR 183 CO -0.07 0.44 -0.14 -0.09 0.37 0.00 0.00 175.52 176.03 1xs2 h ARG 184 N 0.13 0.43 -0.37 6.66 9.65 -0.59 -0.93 114.38 129.35 1xs2 h ARG 184 Ca 0.02 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 1xs2 h ARG 184 Cb 0.82 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1xs2 h ARG 184 CO 0.06 0.57 0.16 1.49 2.80 0.00 0.00 179.97 185.04 1xs2 h GLU 185 N 0.40 0.55 0.00 0.20 4.81 -1.15 -2.54 114.58 116.85 1xs2 h GLU 185 Ca 0.07 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xs2 h GLU 185 Cb 0.48 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1xs2 h GLU 185 CO 0.03 0.52 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 1xs2 h ALA 186 N 1.00 1.00 -2.24 2.92 0.00 -1.25 -3.40 119.26 117.28 1xs2 h ALA 186 Ca 0.13 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.46 1xs2 h ALA 186 Cb 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.58 1xs2 h ALA 186 CO -0.01 0.00 -1.00 1.19 0.00 0.00 0.00 179.25 179.43 1xs2 n PHE 187 N -3.07 -0.86 0.29 0.00 3.01 -0.37 -5.01 117.46 111.45 1xs2 n PHE 187 Ca 0.03 -3.33 0.17 0.00 1.01 0.00 0.00 57.45 55.33 1xs2 n PHE 187 Cb 0.47 0.14 0.84 0.00 -0.01 0.00 0.00 39.48 40.92 1xs2 n PHE 187 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xs2 h PRO 188 N 5.22 0.00 0.00 -1.08 0.11 -1.72 -3.26 132.00 131.26 1xs2 h PRO 188 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1xs2 h PRO 188 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xs2 h PRO 188 CO 0.39 0.05 -0.32 -0.25 -0.21 0.00 0.00 178.00 177.65 1xs2 n ASP 189 N -3.26 0.41 -4.74 -2.05 10.43 -1.26 -5.04 116.55 111.03 1xs2 n ASP 189 Ca -0.01 -0.62 -0.34 0.00 2.57 0.00 0.00 54.79 56.39 1xs2 n ASP 189 Cb 0.23 1.01 0.08 0.00 1.84 0.00 0.00 41.12 44.28 1xs2 n ASP 189 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1xs2 s ILE 190 N -1.61 2.67 -0.45 0.53 -4.36 -1.23 -4.92 121.20 111.83 1xs2 s ILE 190 Ca 0.02 0.32 -0.28 0.00 -0.26 0.00 0.00 60.65 60.45 1xs2 s ILE 190 Cb 0.05 -2.86 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 1xs2 s ILE 190 CO 0.25 -0.18 1.57 -0.60 0.24 0.00 0.00 174.94 176.22 1xs2 s ARG 191 N -3.99 3.33 -0.06 0.37 3.52 -1.26 -4.99 118.95 115.88 1xs2 s ARG 191 Ca 0.71 0.92 0.05 0.00 -0.13 0.00 0.00 55.73 57.28 1xs2 s ARG 191 Cb -0.26 -4.14 -0.02 0.00 -1.56 0.00 0.00 34.95 28.98 1xs2 s ARG 191 CO 0.44 -1.87 -0.21 -1.17 -0.81 0.00 0.00 175.30 171.68 1xs2 s LEU 192 N 6.40 2.33 0.18 -0.88 2.96 -1.26 -1.31 118.68 127.10 1xs2 s LEU 192 Ca 0.65 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1xs2 s LEU 192 Cb -0.15 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1xs2 s LEU 192 CO 0.30 0.27 0.06 0.42 -1.32 0.00 0.00 176.35 176.08 1xs2 s THR 193 N -0.32 0.36 0.11 3.68 -4.23 0.28 -1.04 115.64 114.48 1xs2 s THR 193 Ca 0.02 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1xs2 s THR 193 Cb -0.13 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1xs2 s THR 193 CO 0.02 -0.28 -0.14 0.68 -0.54 0.00 0.00 174.62 174.36 1xs2 s VAL 194 N -3.89 1.30 -0.37 2.29 -7.23 -1.07 -0.65 120.40 110.78 1xs2 s VAL 194 Ca 0.30 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1xs2 s VAL 194 Cb 0.07 -1.44 0.07 0.00 0.56 0.00 0.00 36.38 35.64 1xs2 s VAL 194 CO 0.07 -0.36 0.17 -0.62 -0.31 0.00 0.00 175.10 174.05 1xs2 s ASP 195 N -2.28 5.38 0.00 4.85 -1.08 0.18 -1.02 116.67 122.71 1xs2 s ASP 195 Ca 0.06 -1.42 0.28 0.00 -0.52 0.00 0.00 52.55 50.95 1xs2 s ASP 195 Cb -0.06 -1.89 1.06 0.00 -1.46 0.00 0.00 42.92 40.56 1xs2 s ASP 195 CO 0.03 -0.43 1.76 0.00 0.52 0.00 0.00 175.17 177.05 1xs2 n ALA 196 N 4.80 2.87 -4.06 3.66 0.00 -0.75 -1.93 120.51 125.11 1xs2 n ALA 196 Ca -0.10 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1xs2 n ALA 196 Cb 0.43 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1xs2 n ALA 196 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xs2 n ASN 197 N -0.97 -3.51 -2.53 0.00 4.05 -1.23 -2.24 115.26 108.82 1xs2 n ASN 197 Ca 0.13 -0.91 -0.17 0.00 0.45 0.00 0.00 54.58 54.08 1xs2 n ASN 197 Cb 0.30 -3.27 -0.00 0.00 1.23 0.00 0.00 39.78 38.03 1xs2 n ASN 197 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1xs2 n SER 198 N -2.77 -4.74 -0.59 1.20 7.64 -0.07 -4.85 113.62 109.43 1xs2 n SER 198 Ca 0.01 0.05 0.07 0.00 1.01 0.00 0.00 58.87 60.00 1xs2 n SER 198 Cb 0.53 -3.97 0.09 0.00 -1.01 0.00 0.00 64.21 59.86 1xs2 n SER 198 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xs2 n ALA 199 N -2.35 2.40 -2.24 -0.43 0.00 -0.95 -4.66 120.51 112.28 1xs2 n ALA 199 Ca -0.17 -0.77 -0.21 0.00 0.00 0.00 0.00 53.44 52.29 1xs2 n ALA 199 Cb 0.63 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1xs2 n ALA 199 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xs2 s TYR 200 N -1.07 2.64 0.31 0.00 1.51 -0.60 -4.73 117.35 115.42 1xs2 s TYR 200 Ca 0.19 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1xs2 s TYR 200 Cb 0.12 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1xs2 s TYR 200 CO 0.17 -0.13 0.15 0.95 -1.11 0.00 0.00 175.55 175.58 1xs2 s THR 201 N -2.50 0.38 0.52 -0.71 -4.23 -1.26 -4.44 115.64 103.40 1xs2 s THR 201 Ca 0.47 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 1xs2 s THR 201 Cb -0.03 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.59 1xs2 s THR 201 CO 0.27 0.00 2.15 -0.07 -0.54 0.00 0.00 174.62 176.44 1xs2 h LEU 202 N 2.19 0.00 -0.95 4.79 3.38 -1.98 0.19 115.31 122.93 1xs2 h LEU 202 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xs2 h LEU 202 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xs2 h LEU 202 CO 0.53 0.05 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1xs2 n ALA 203 N -2.41 1.16 1.14 1.53 0.00 -1.26 -2.15 120.51 118.52 1xs2 n ALA 203 Ca -0.03 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1xs2 n ALA 203 Cb 0.13 -1.26 0.37 0.00 0.00 0.00 0.00 19.45 18.69 1xs2 n ALA 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xs2 n ASP 204 N -2.06 1.97 -0.21 0.00 8.00 0.66 -4.47 116.55 120.44 1xs2 n ASP 204 Ca -0.00 -1.72 -0.00 0.00 0.71 0.00 0.00 54.79 53.77 1xs2 n ASP 204 Cb 0.06 -0.10 0.11 0.00 -0.02 0.00 0.00 41.12 41.18 1xs2 n ASP 204 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xs2 h ALA 205 N 4.22 0.81 -0.32 2.24 0.00 -1.58 -0.55 119.26 124.08 1xs2 h ALA 205 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xs2 h ALA 205 Cb 0.59 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xs2 h ALA 205 CO 0.00 -0.16 0.18 0.78 0.00 0.00 0.00 179.25 180.05 1xs2 h GLY 206 N 0.44 0.46 0.49 0.00 0.00 -1.85 0.26 103.07 102.88 1xs2 h GLY 206 Ca 0.31 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 1xs2 h GLY 206 CO -0.29 0.18 -0.36 -0.09 0.00 0.00 0.00 176.54 175.98 1xs2 h ARG 207 N 0.44 0.21 -0.77 4.80 9.65 -1.56 -3.18 114.38 123.97 1xs2 h ARG 207 Ca 0.12 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1xs2 h ARG 207 Cb 0.01 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 1xs2 h ARG 207 CO -0.02 1.00 0.51 -0.07 2.80 0.00 0.00 179.97 184.19 1xs2 h LEU 208 N -0.47 0.84 -2.09 3.80 3.38 -0.98 -1.98 115.31 117.81 1xs2 h LEU 208 Ca -0.05 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xs2 h LEU 208 Cb 1.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1xs2 h LEU 208 CO 0.07 0.59 0.11 -0.09 0.09 0.00 0.00 178.44 179.21 1xs2 h ARG 209 N 0.99 0.00 0.00 1.13 2.43 -0.54 -0.56 114.38 117.83 1xs2 h ARG 209 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1xs2 h ARG 209 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1xs2 h ARG 209 CO -0.08 0.00 0.00 1.96 -1.51 0.00 0.00 179.97 180.34 1xs2 h GLN 210 N 0.00 0.00 0.00 0.20 4.20 -1.33 -0.69 115.11 117.49 1xs2 h GLN 210 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1xs2 h GLN 210 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1xs2 h GLN 210 CO -0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 1xs2 h LEU 211 N 0.00 0.00 -0.87 1.46 3.38 -1.19 -3.35 115.31 114.73 1xs2 h LEU 211 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xs2 h LEU 211 Cb 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1xs2 h LEU 211 CO 0.00 0.00 0.56 0.44 0.09 0.00 0.00 178.44 179.53 1xs2 h ASP 212 N 0.00 0.92 0.32 -0.43 3.45 -1.24 -1.63 116.42 117.81 1xs2 h ASP 212 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xs2 h ASP 212 Cb 0.52 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1xs2 h ASP 212 CO 0.00 0.62 0.00 -1.84 -1.57 0.00 0.00 179.24 176.45 1xs2 n GLU 213 N -4.55 0.21 -0.25 3.56 0.28 -1.26 -2.54 120.64 116.09 1xs2 n GLU 213 Ca 0.11 0.14 0.11 0.00 -0.16 0.00 0.00 57.16 57.37 1xs2 n GLU 213 Cb 0.11 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 31.75 1xs2 n GLU 213 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1xs2 n TYR 214 N -1.30 0.65 -3.87 -1.84 4.02 -0.61 -4.99 117.16 109.21 1xs2 n TYR 214 Ca 0.07 -0.32 -0.30 0.00 -0.01 0.00 0.00 57.90 57.33 1xs2 n TYR 214 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.46 1xs2 n TYR 214 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1xs2 n ASP 215 N 1.30 -2.67 -4.77 7.72 8.00 -1.05 -4.94 116.55 120.15 1xs2 n ASP 215 Ca 0.20 -1.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.24 1xs2 n ASP 215 Cb 0.54 -2.98 -0.03 0.00 -0.02 0.00 0.00 41.12 38.64 1xs2 n ASP 215 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xs2 s LEU 216 N -6.84 4.46 0.35 0.64 1.43 -1.26 -4.72 118.68 112.73 1xs2 s LEU 216 Ca 0.24 2.58 0.07 0.00 -1.03 0.00 0.00 54.13 56.00 1xs2 s LEU 216 Cb -0.10 -3.64 0.65 0.00 0.03 0.00 0.00 46.19 43.13 1xs2 s LEU 216 CO 0.89 -0.45 1.85 0.74 0.23 0.00 0.00 176.35 179.62 1xs2 h THR 217 N 3.09 1.21 -1.78 5.49 2.02 -1.45 -3.42 112.91 118.06 1xs2 h THR 217 Ca -0.48 -0.94 0.21 0.00 0.77 0.00 0.00 66.41 65.97 1xs2 h THR 217 Cb 1.22 1.23 -0.17 0.00 -1.74 0.00 0.00 68.15 68.70 1xs2 h THR 217 CO 0.66 0.30 0.69 -0.72 0.37 0.00 0.00 175.52 176.82 1xs2 s TYR 218 N -4.68 -0.19 -0.21 3.16 -0.85 -1.26 -4.52 117.35 108.79 1xs2 s TYR 218 Ca -0.06 0.10 -0.06 0.00 -0.52 0.00 0.00 57.07 56.53 1xs2 s TYR 218 Cb 0.15 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.99 1xs2 s TYR 218 CO 0.75 -0.35 0.04 0.42 -1.52 0.00 0.00 175.55 174.88 1xs2 s ILE 219 N -2.69 4.22 -0.23 -3.49 1.01 0.06 -2.60 121.20 117.47 1xs2 s ILE 219 Ca 0.08 -0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.26 1xs2 s ILE 219 Cb -0.01 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1xs2 s ILE 219 CO -0.06 0.40 0.89 -0.70 0.00 0.00 0.00 174.94 175.47 1xs2 s GLU 220 N 1.12 4.21 -0.78 2.79 2.12 -0.19 -0.86 118.70 127.10 1xs2 s GLU 220 Ca 0.03 1.07 -0.14 0.00 0.36 0.00 0.00 54.97 56.29 1xs2 s GLU 220 Cb -0.14 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1xs2 s GLU 220 CO 0.02 -0.54 0.49 0.94 -0.54 0.00 0.00 175.26 175.63 1xs2 n GLN 221 N 6.05 -0.78 0.21 4.30 -0.06 0.47 -1.80 117.38 125.77 1xs2 n GLN 221 Ca 0.07 0.23 0.05 0.00 -2.00 0.00 0.00 57.00 55.35 1xs2 n GLN 221 Cb 0.47 -1.65 0.45 0.00 -4.06 0.00 0.00 30.24 25.45 1xs2 n GLN 221 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1xs2 h PRO 222 N -0.66 0.00 0.00 3.69 0.13 -1.85 -0.17 132.00 133.14 1xs2 h PRO 222 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1xs2 h PRO 222 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xs2 h PRO 222 CO 0.34 0.29 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 1xs2 n LEU 223 N -4.07 0.00 -4.62 1.56 4.77 -1.26 -1.55 117.00 111.83 1xs2 n LEU 223 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1xs2 n LEU 223 Cb 0.34 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1xs2 n LEU 223 CO 0.37 -0.11 0.66 0.00 -1.33 0.00 0.00 177.39 176.98 1xs2 n ALA 224 N -3.00 0.29 0.29 -1.18 0.00 -1.26 -4.25 120.51 111.40 1xs2 n ALA 224 Ca 0.00 0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1xs2 n ALA 224 Cb 0.00 -2.10 0.90 0.00 0.00 0.00 0.00 19.45 18.25 1xs2 n ALA 224 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xs2 h TRP 225 N 2.00 0.00 -0.30 0.00 5.08 -1.91 -2.03 115.95 118.79 1xs2 h TRP 225 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1xs2 h TRP 225 Cb 1.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1xs2 h TRP 225 CO 0.47 0.01 0.00 -0.40 -1.28 0.00 0.00 178.44 177.25 1xs2 n ASP 226 N -3.82 3.81 -4.80 0.11 5.75 -1.26 -1.85 116.55 114.49 1xs2 n ASP 226 Ca -0.03 -2.79 -0.32 0.00 -0.01 0.00 0.00 54.79 51.64 1xs2 n ASP 226 Cb 0.10 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 1xs2 n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xs2 s ASP 227 N -1.66 5.76 -0.00 -1.12 2.15 -0.77 -4.91 116.67 116.12 1xs2 s ASP 227 Ca 0.39 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.51 1xs2 s ASP 227 Cb 0.30 -1.65 -0.00 0.00 -0.30 0.00 0.00 42.92 41.27 1xs2 s ASP 227 CO 0.11 0.24 -0.00 0.18 -0.17 0.00 0.00 175.17 175.53 1xs2 n LEU 228 N 0.91 1.83 -0.13 -1.34 4.77 -1.26 -4.76 117.00 117.02 1xs2 n LEU 228 Ca -0.11 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 1xs2 n LEU 228 Cb 0.52 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1xs2 n LEU 228 CO 0.41 0.31 0.78 0.58 -1.33 0.00 0.00 177.39 178.14 1xs2 h VAL 229 N 0.00 1.26 -0.03 4.08 2.07 -1.98 0.20 116.25 121.84 1xs2 h VAL 229 Ca -0.01 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 1xs2 h VAL 229 Cb 1.01 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1xs2 h VAL 229 CO -0.00 0.34 -0.58 0.44 0.02 0.00 0.00 177.57 177.79 1xs2 h ASP 230 N 0.48 0.12 -0.32 0.57 3.32 -1.99 -2.67 116.42 115.93 1xs2 h ASP 230 Ca 0.11 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1xs2 h ASP 230 Cb 0.48 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1xs2 h ASP 230 CO 0.02 0.67 0.11 0.45 -1.72 0.00 0.00 179.24 178.77 1xs2 h HIS 231 N 0.08 0.51 -0.66 4.55 3.86 -1.77 0.66 115.15 122.37 1xs2 h HIS 231 Ca -0.00 -0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.30 1xs2 h HIS 231 Cb 1.04 -0.15 -0.12 0.00 1.06 0.00 0.00 27.41 29.24 1xs2 h HIS 231 CO 0.01 0.50 -0.03 0.00 0.86 0.00 0.00 177.93 179.27 1xs2 h ALA 232 N 0.95 0.62 -0.53 2.45 0.00 -0.80 0.10 119.26 122.06 1xs2 h ALA 232 Ca 0.11 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1xs2 h ALA 232 Cb 0.22 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xs2 h ALA 232 CO -0.01 -0.41 0.00 1.49 0.00 0.00 0.00 179.25 180.33 1xs2 h GLU 233 N 0.09 0.91 -0.50 0.00 4.57 -1.07 -2.96 114.58 115.62 1xs2 h GLU 233 Ca 0.35 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1xs2 h GLU 233 Cb 0.57 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1xs2 h GLU 233 CO -0.60 0.90 -0.06 1.25 -1.18 0.00 0.00 179.01 179.32 1xs2 h LEU 234 N 0.84 0.87 -2.35 1.64 5.85 0.77 -1.89 115.31 121.04 1xs2 h LEU 234 Ca 0.16 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1xs2 h LEU 234 Cb 0.49 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1xs2 h LEU 234 CO 0.02 0.97 0.03 0.00 -0.34 0.00 0.00 178.44 179.12 1xs2 h ALA 235 N 1.12 1.66 0.00 1.25 0.00 -0.90 -0.65 119.26 121.74 1xs2 h ALA 235 Ca 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xs2 h ALA 235 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xs2 h ALA 235 CO 0.03 -0.04 -0.21 0.00 0.00 0.00 0.00 179.25 179.03 1xs2 h ARG 236 N 0.00 0.00 0.00 0.00 3.08 -1.20 -3.33 114.38 112.93 1xs2 h ARG 236 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xs2 h ARG 236 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1xs2 h ARG 236 CO -0.00 0.21 -1.47 0.54 -1.07 0.00 0.00 179.97 178.18 1xs2 n ARG 237 N -3.21 0.33 -4.27 0.04 1.74 -0.29 -4.94 116.66 106.05 1xs2 n ARG 237 Ca 0.02 -0.09 -0.15 0.00 -0.77 0.00 0.00 57.85 56.86 1xs2 n ARG 237 Cb 0.54 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1xs2 n ARG 237 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1xs2 s ILE 238 N -3.24 1.23 -0.10 0.55 -4.36 -0.94 -4.89 121.20 109.46 1xs2 s ILE 238 Ca 0.00 -2.08 0.21 0.00 -0.26 0.00 0.00 60.65 58.52 1xs2 s ILE 238 Cb 0.15 -1.91 -0.25 0.00 1.25 0.00 0.00 42.46 41.70 1xs2 s ILE 238 CO 0.89 -0.69 0.55 0.54 0.24 0.00 0.00 174.94 176.46 1xs2 n ARG 239 N -0.24 0.65 -1.87 0.37 1.74 -1.26 -4.71 116.66 111.34 1xs2 n ARG 239 Ca -0.09 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1xs2 n ARG 239 Cb 0.61 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 1xs2 n ARG 239 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xs2 s THR 240 N -3.28 2.69 0.44 0.55 2.01 -1.26 -4.95 115.64 111.84 1xs2 s THR 240 Ca -0.06 0.35 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 1xs2 s THR 240 Cb 0.11 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 1xs2 s THR 240 CO 0.87 0.01 1.29 -2.65 -0.69 0.00 0.00 174.62 173.45 1xs2 n PRO 241 N 4.82 1.92 -3.72 4.92 -0.02 -1.26 -4.80 135.00 136.86 1xs2 n PRO 241 Ca 0.15 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 1xs2 n PRO 241 Cb 0.39 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1xs2 n PRO 241 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs2 s LEU 242 N -1.94 4.35 -0.12 2.45 1.43 -1.26 -0.76 118.68 122.83 1xs2 s LEU 242 Ca 0.62 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1xs2 s LEU 242 Cb -0.49 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.87 1xs2 s LEU 242 CO 0.57 0.20 -0.21 0.00 0.23 0.00 0.00 176.35 177.14 1xs2 s LEU 244 N 0.44 4.39 0.00 0.00 2.01 -0.57 -0.39 118.68 124.55 1xs2 s LEU 244 Ca -0.15 0.60 0.00 0.00 0.01 0.00 0.00 54.13 54.59 1xs2 s LEU 244 Cb -0.17 -2.54 0.00 0.00 0.01 0.00 0.00 46.19 43.49 1xs2 s LEU 244 CO 0.06 0.29 0.00 -0.67 1.01 0.00 0.00 176.35 177.05 1xs2 n ASP 245 N 1.39 0.00 0.24 2.29 4.64 -1.26 -1.31 116.55 122.54 1xs2 n ASP 245 Ca -0.13 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.40 1xs2 n ASP 245 Cb 0.53 0.00 0.54 0.00 -1.04 0.00 0.00 41.12 41.15 1xs2 n ASP 245 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1xs2 h GLU 246 N 0.00 0.00 -0.02 -0.67 3.07 -1.92 -2.69 114.58 112.35 1xs2 h GLU 246 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xs2 h GLU 246 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xs2 h GLU 246 CO 0.00 0.16 0.00 -1.13 -1.40 0.00 0.00 179.01 176.64 1xs2 n SER 247 N -3.35 0.76 -4.11 1.42 3.41 -0.77 -4.46 113.62 106.52 1xs2 n SER 247 Ca -0.00 -1.29 -0.36 0.00 -0.26 0.00 0.00 58.87 56.96 1xs2 n SER 247 Cb 0.38 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 1xs2 n SER 247 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xs2 s VAL 248 N -1.98 3.24 -0.35 -3.33 1.01 -1.02 -4.89 120.40 113.08 1xs2 s VAL 248 Ca 0.41 -2.10 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1xs2 s VAL 248 Cb 0.21 -3.23 0.16 0.00 0.00 0.00 0.00 36.38 33.51 1xs2 s VAL 248 CO 0.34 -0.69 1.12 0.00 0.00 0.00 0.00 175.10 175.87 1xs2 n ALA 249 N 4.54 2.13 -3.69 5.51 0.00 -1.26 -4.76 120.51 122.99 1xs2 n ALA 249 Ca -0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 53.44 52.16 1xs2 n ALA 249 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 1xs2 n ALA 249 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xs2 s SER 250 N -1.18 -0.18 0.28 0.00 1.04 -1.26 -4.36 113.70 108.04 1xs2 s SER 250 Ca 0.13 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1xs2 s SER 250 Cb 0.08 0.40 0.38 0.00 0.10 0.00 0.00 66.02 66.98 1xs2 s SER 250 CO 0.06 -0.73 1.95 0.00 0.98 0.00 0.00 173.24 175.51 1xs2 h ALA 251 N 2.00 1.36 -0.06 5.32 0.00 -1.90 -1.78 119.26 124.20 1xs2 h ALA 251 Ca -0.24 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1xs2 h ALA 251 Cb 1.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xs2 h ALA 251 CO 0.27 0.59 -0.72 0.66 0.00 0.00 0.00 179.25 180.05 1xs2 h SER 252 N 1.21 0.38 -0.67 0.00 4.64 -1.96 -1.08 113.55 116.07 1xs2 h SER 252 Ca 0.33 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1xs2 h SER 252 Cb -0.13 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 1xs2 h SER 252 CO -0.07 0.97 0.40 0.44 -0.87 0.00 0.00 176.83 177.70 1xs2 h ASP 253 N 0.21 0.82 -0.14 4.97 3.32 -1.86 -0.41 116.42 123.33 1xs2 h ASP 253 Ca -0.03 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1xs2 h ASP 253 Cb 1.28 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1xs2 h ASP 253 CO 0.12 0.64 -0.06 0.00 -1.72 0.00 0.00 179.24 178.22 1xs2 h ALA 254 N 1.50 0.19 -0.35 3.45 0.00 -0.47 0.12 119.26 123.71 1xs2 h ALA 254 Ca 0.24 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1xs2 h ALA 254 Cb -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1xs2 h ALA 254 CO -0.04 -0.02 0.01 -0.09 0.00 0.00 0.00 179.25 179.10 1xs2 h ARG 255 N -0.05 0.10 -0.35 0.00 1.12 -1.09 -0.24 114.38 113.88 1xs2 h ARG 255 Ca 0.03 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.91 1xs2 h ARG 255 Cb 0.51 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.42 1xs2 h ARG 255 CO 0.02 0.07 0.20 0.87 -3.11 0.00 0.00 179.97 178.01 1xs2 h LYS 256 N 0.11 0.39 -0.41 0.20 1.57 -0.94 -0.29 116.57 117.19 1xs2 h LYS 256 Ca 0.17 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1xs2 h LYS 256 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1xs2 h LYS 256 CO -0.27 0.26 0.22 0.00 -0.57 0.00 0.00 179.45 179.09 1xs2 h ALA 257 N 1.16 0.52 -0.19 3.86 0.00 -0.46 -0.58 119.26 123.57 1xs2 h ALA 257 Ca 0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1xs2 h ALA 257 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xs2 h ALA 257 CO -0.08 0.05 -0.54 -0.07 0.00 0.00 0.00 179.25 178.61 1xs2 h LEU 258 N 0.53 0.80 -1.25 0.00 3.38 -0.86 -0.71 115.31 117.19 1xs2 h LEU 258 Ca 0.14 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1xs2 h LEU 258 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1xs2 h LEU 258 CO -0.02 1.24 0.04 0.00 0.09 0.00 0.00 178.44 179.79 1xs2 h ALA 259 N 0.57 1.39 0.00 1.53 0.00 -1.04 -2.30 119.26 119.42 1xs2 h ALA 259 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xs2 h ALA 259 Cb 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xs2 h ALA 259 CO 0.12 0.43 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1xs2 n LEU 260 N -4.30 0.56 -2.29 0.00 4.77 -0.23 -4.92 117.00 110.59 1xs2 n LEU 260 Ca 0.02 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.43 1xs2 n LEU 260 Cb 0.22 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1xs2 n LEU 260 CO 0.39 -0.26 0.08 0.61 -1.33 0.00 0.00 177.39 176.87 1xs2 n GLY 261 N 0.86 -0.08 0.19 -0.72 0.00 -0.87 -4.82 105.19 99.76 1xs2 n GLY 261 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1xs2 n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs2 h ALA 262 N 0.67 0.87 -2.64 4.61 0.00 -1.39 -3.37 119.26 118.01 1xs2 h ALA 262 Ca -0.36 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.49 1xs2 h ALA 262 Cb 1.24 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1xs2 h ALA 262 CO 0.37 0.26 0.37 0.20 0.00 0.00 0.00 179.25 180.45 1xs2 s GLY 263 N -4.31 -0.17 0.00 0.00 0.00 -1.25 -4.21 107.32 97.38 1xs2 s GLY 263 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1xs2 s GLY 263 CO 0.70 -0.04 0.83 0.61 0.00 0.00 0.00 173.10 175.20 1xs2 n GLY 264 N -0.47 0.57 3.09 0.20 0.00 -0.42 -4.63 105.19 103.53 1xs2 n GLY 264 Ca -0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1xs2 n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xs2 s VAL 265 N -0.63 0.06 -0.12 1.61 1.01 -1.10 -4.14 120.40 117.09 1xs2 s VAL 265 Ca 0.07 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1xs2 s VAL 265 Cb 0.04 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.06 1xs2 s VAL 265 CO 0.06 -0.27 -0.13 -0.63 0.00 0.00 0.00 175.10 174.14 1xs2 s ILE 266 N -0.95 1.38 -0.40 2.22 1.01 -1.14 -1.51 121.20 121.81 1xs2 s ILE 266 Ca -0.10 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 1xs2 s ILE 266 Cb -0.06 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1xs2 s ILE 266 CO 0.01 0.42 1.52 0.21 0.00 0.00 0.00 174.94 177.11 1xs2 s ASN 267 N 1.32 6.18 -0.36 3.58 3.84 -0.43 -2.14 114.94 126.94 1xs2 s ASN 267 Ca -0.00 0.91 -0.13 0.00 0.21 0.00 0.00 52.86 53.85 1xs2 s ASN 267 Cb -0.14 -2.54 -0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1xs2 s ASN 267 CO -0.06 -1.54 0.25 -0.22 -2.79 0.00 0.00 177.10 172.73 1xs2 s LEU 268 N 5.93 4.69 -0.21 3.21 2.96 0.46 -4.66 118.68 131.07 1xs2 s LEU 268 Ca 0.66 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1xs2 s LEU 268 Cb -0.16 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.41 1xs2 s LEU 268 CO 0.32 -0.31 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.40 1xs2 s LYS 269 N 1.69 3.23 0.20 1.98 1.02 -1.26 -1.49 119.74 125.11 1xs2 s LYS 269 Ca 0.05 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.25 1xs2 s LYS 269 Cb -0.18 -2.85 0.12 0.00 -0.52 0.00 0.00 37.83 34.40 1xs2 s LYS 269 CO 0.10 -0.20 1.73 -0.24 -0.92 0.00 0.00 175.35 175.82 1xs2 h VAL 270 N 5.80 1.26 -0.02 3.17 3.04 -1.91 -2.39 116.25 125.20 1xs2 h VAL 270 Ca -0.43 -0.88 -0.19 0.00 -1.01 0.00 0.00 66.70 64.18 1xs2 h VAL 270 Cb 1.15 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1xs2 h VAL 270 CO 0.62 0.35 -0.82 0.00 -1.01 0.00 0.00 177.57 176.71 1xs2 h ALA 271 N 1.11 0.56 -0.73 3.17 0.00 -1.94 -0.91 119.26 120.52 1xs2 h ALA 271 Ca 0.23 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1xs2 h ALA 271 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1xs2 h ALA 271 CO -0.01 0.84 0.48 -0.09 0.00 0.00 0.00 179.25 180.48 1xs2 h ARG 272 N 0.17 0.83 -0.01 0.00 2.43 -1.77 -2.81 114.38 113.21 1xs2 h ARG 272 Ca -0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1xs2 h ARG 272 Cb 1.42 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1xs2 h ARG 272 CO 0.13 0.55 -0.27 1.33 -1.51 0.00 0.00 179.97 180.19 1xs2 n VAL 273 N -4.46 0.00 0.00 0.20 0.24 -1.12 -4.66 118.33 108.53 1xs2 n VAL 273 Ca 0.10 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1xs2 n VAL 273 Cb 0.15 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1xs2 n VAL 273 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xs2 n GLY 274 N 1.34 0.90 0.00 7.63 0.00 -1.07 -4.68 105.19 109.32 1xs2 n GLY 274 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xs2 n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs2 n GLY 275 N -1.20 0.46 0.21 -0.02 0.00 -0.36 -4.14 105.19 100.14 1xs2 n GLY 275 Ca 0.00 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1xs2 n GLY 275 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xs2 h HIS 276 N 0.00 0.76 -0.07 1.61 -0.00 -1.90 -1.44 115.15 114.11 1xs2 h HIS 276 Ca 0.00 -0.18 0.01 0.00 -0.00 0.00 0.00 60.37 60.20 1xs2 h HIS 276 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1xs2 h HIS 276 CO 0.00 0.86 -0.01 0.00 -0.00 0.00 0.00 177.93 178.78 1xs2 h ALA 277 N 0.79 0.05 -0.02 2.45 0.00 -1.95 0.05 119.26 120.63 1xs2 h ALA 277 Ca 0.08 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1xs2 h ALA 277 Cb 0.64 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xs2 h ALA 277 CO 0.04 -0.48 -0.62 1.49 0.00 0.00 0.00 179.25 179.68 1xs2 h GLU 278 N 0.01 0.07 -0.63 0.00 4.57 -1.87 -2.16 114.58 114.57 1xs2 h GLU 278 Ca 0.03 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1xs2 h GLU 278 Cb 0.04 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1xs2 h GLU 278 CO -0.06 0.67 0.26 0.77 -1.18 0.00 0.00 179.01 179.46 1xs2 h SER 279 N 0.05 0.87 -0.06 1.04 0.02 -0.89 0.89 113.55 115.47 1xs2 h SER 279 Ca -0.01 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1xs2 h SER 279 Cb 1.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1xs2 h SER 279 CO 0.09 0.80 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.36 1xs2 h ARG 280 N 0.88 0.37 -0.46 3.45 2.43 -0.67 0.18 114.38 120.55 1xs2 h ARG 280 Ca 0.21 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1xs2 h ARG 280 Cb 0.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1xs2 h ARG 280 CO -0.02 0.50 -0.07 0.00 -1.51 0.00 0.00 179.97 178.87 1xs2 h ARG 281 N 0.35 0.87 -0.60 0.20 3.08 -0.73 -0.02 114.38 117.53 1xs2 h ARG 281 Ca 0.07 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1xs2 h ARG 281 Cb 0.43 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1xs2 h ARG 281 CO 0.02 0.95 0.37 0.28 -1.07 0.00 0.00 179.97 180.53 1xs2 h VAL 282 N 0.71 1.17 -0.61 2.04 2.07 -0.18 -0.28 116.25 121.17 1xs2 h VAL 282 Ca 0.12 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1xs2 h VAL 282 Cb 0.61 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1xs2 h VAL 282 CO 0.04 0.18 0.35 -0.74 0.02 0.00 0.00 177.57 177.41 1xs2 h HIS 283 N 0.82 0.65 -0.12 1.57 -0.00 -0.42 -1.24 115.15 116.40 1xs2 h HIS 283 Ca 0.22 0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 60.40 1xs2 h HIS 283 Cb -0.04 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.17 1xs2 h HIS 283 CO -0.02 0.34 -0.76 -0.44 -0.00 0.00 0.00 177.93 177.06 1xs2 h ASP 284 N 0.68 0.75 -0.48 3.26 3.32 -0.59 -0.98 116.42 122.39 1xs2 h ASP 284 Ca 0.26 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1xs2 h ASP 284 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1xs2 h ASP 284 CO -0.14 1.27 0.23 0.58 -1.72 0.00 0.00 179.24 179.46 1xs2 h VAL 285 N 0.43 1.19 -0.08 -1.35 2.07 -0.91 -0.48 116.25 117.12 1xs2 h VAL 285 Ca -0.04 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1xs2 h VAL 285 Cb 1.36 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1xs2 h VAL 285 CO 0.15 0.21 0.04 0.00 0.02 0.00 0.00 177.57 177.98 1xs2 h ALA 286 N 1.07 0.11 -0.96 1.67 0.00 -1.19 -2.47 119.26 117.49 1xs2 h ALA 286 Ca 0.16 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1xs2 h ALA 286 Cb 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1xs2 h ALA 286 CO -0.02 -0.33 0.62 0.37 0.00 0.00 0.00 179.25 179.89 1xs2 h GLN 287 N 0.01 1.03 0.00 0.00 5.75 -0.90 -1.06 115.11 119.94 1xs2 h GLN 287 Ca 0.03 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1xs2 h GLN 287 Cb 0.12 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 1xs2 h GLN 287 CO -0.00 0.68 -0.05 0.66 -2.65 0.00 0.00 178.83 177.47 1xs2 h SER 288 N 1.06 0.00 -0.14 -0.69 4.64 -0.63 0.39 113.55 118.18 1xs2 h SER 288 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1xs2 h SER 288 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1xs2 h SER 288 CO -0.18 0.05 0.00 0.49 -0.87 0.00 0.00 176.83 176.32 1xs2 n PHE 289 N -3.71 0.17 -1.71 4.77 3.01 -0.63 -4.96 117.46 114.39 1xs2 n PHE 289 Ca -0.02 -0.08 -0.18 0.00 1.01 0.00 0.00 57.45 58.17 1xs2 n PHE 289 Cb 0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1xs2 n PHE 289 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xs2 n GLY 290 N 1.20 1.29 3.84 1.37 0.00 0.14 -5.00 105.19 108.03 1xs2 n GLY 290 Ca 0.17 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1xs2 n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs2 s ALA 291 N -2.73 3.82 0.57 4.61 0.00 -0.50 -4.97 121.76 122.56 1xs2 s ALA 291 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 1xs2 s ALA 291 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1xs2 s ALA 291 CO 0.00 0.51 0.95 -1.25 0.00 0.00 0.00 175.76 175.96 1xs2 s PRO 292 N -0.73 3.61 0.39 0.00 0.04 -1.26 -3.49 135.00 133.56 1xs2 s PRO 292 Ca 0.15 0.59 0.08 0.00 0.04 0.00 0.00 61.00 61.86 1xs2 s PRO 292 Cb -0.12 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1xs2 s PRO 292 CO 0.04 -0.43 0.02 0.14 0.04 0.00 0.00 177.00 176.80 1xs2 s VAL 293 N -3.00 2.20 0.06 -0.36 -7.23 -0.79 -2.86 120.40 108.42 1xs2 s VAL 293 Ca 0.53 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 1xs2 s VAL 293 Cb -0.11 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.95 1xs2 s VAL 293 CO 0.49 -0.07 0.23 -1.66 -0.31 0.00 0.00 175.10 173.78 1xs2 s TRP 294 N -2.64 0.04 -0.42 2.82 1.48 -0.91 -2.86 118.94 116.45 1xs2 s TRP 294 Ca 0.35 -0.32 -0.28 0.00 -1.06 0.00 0.00 56.10 54.80 1xs2 s TRP 294 Cb 0.06 0.01 0.02 0.00 -1.16 0.00 0.00 33.47 32.40 1xs2 s TRP 294 CO 0.19 -0.50 1.04 0.00 -4.06 0.00 0.00 176.95 173.61 1xs2 s GLY 296 N 2.14 1.58 0.23 0.00 0.00 -0.55 -0.43 107.32 110.29 1xs2 s GLY 296 Ca 0.43 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.76 1xs2 s GLY 296 CO 0.25 -0.21 -0.10 -0.32 0.00 0.00 0.00 173.10 172.72 1xs2 s GLY 297 N -4.22 1.56 -0.37 0.20 0.00 -1.26 -4.72 107.32 98.51 1xs2 s GLY 297 Ca 0.52 -1.75 0.13 0.00 0.00 0.00 0.00 44.72 43.63 1xs2 s GLY 297 CO 0.48 -1.77 1.01 -0.13 0.00 0.00 0.00 173.10 172.69 1xs2 n MET 298 N -0.45 1.10 -3.60 2.90 1.56 -1.26 -5.01 117.12 112.36 1xs2 n MET 298 Ca -0.07 -2.80 -0.22 0.00 -0.27 0.00 0.00 57.70 54.34 1xs2 n MET 298 Cb 0.62 -1.06 0.07 0.00 2.15 0.00 0.00 33.22 35.00 1xs2 n MET 298 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1xs2 n LEU 299 N -0.05 -3.47 -4.81 -0.89 0.00 -1.26 -4.90 117.00 101.62 1xs2 n LEU 299 Ca 0.10 -0.64 -0.34 0.00 0.00 0.00 0.00 56.01 55.13 1xs2 n LEU 299 Cb 0.77 -2.95 -0.07 0.00 0.00 0.00 0.00 43.42 41.17 1xs2 n LEU 299 CO 0.15 0.50 0.64 -1.61 0.00 0.00 0.00 177.39 177.08 1xs2 s GLU 300 N -5.99 4.28 1.13 1.96 8.01 -1.26 -5.08 118.70 121.75 1xs2 s GLU 300 Ca 0.32 1.14 -0.19 0.00 0.01 0.00 0.00 54.97 56.25 1xs2 s GLU 300 Cb -0.15 -2.29 0.28 0.00 -4.31 0.00 0.00 34.13 27.66 1xs2 s GLU 300 CO 0.75 0.03 0.98 -1.13 0.01 0.00 0.00 175.26 175.90 1xs2 n SER 301 N -0.43 -2.12 0.24 -0.19 3.41 -1.26 -4.60 113.62 108.68 1xs2 n SER 301 Ca 0.06 -1.09 0.07 0.00 -0.26 0.00 0.00 58.87 57.65 1xs2 n SER 301 Cb 0.53 -0.91 0.58 0.00 -0.26 0.00 0.00 64.21 64.16 1xs2 n SER 301 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xs2 h GLY 302 N -2.56 0.00 0.65 5.00 0.00 -1.96 -0.10 103.07 104.10 1xs2 h GLY 302 Ca -0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xs2 h GLY 302 CO 0.24 0.00 -0.49 -2.22 0.00 0.00 0.00 176.54 174.07 1xs2 h ILE 303 N 0.00 0.00 -0.58 2.60 1.08 -1.95 -0.26 117.51 118.40 1xs2 h ILE 303 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1xs2 h ILE 303 Cb 0.17 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.90 1xs2 h ILE 303 CO 0.01 0.00 0.18 1.23 -0.69 0.00 0.00 178.15 178.88 1xs2 h GLY 304 N -1.10 0.96 0.99 5.37 0.00 -1.80 -2.19 103.07 105.31 1xs2 h GLY 304 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1xs2 h GLY 304 CO 0.02 0.54 0.65 -0.09 0.00 0.00 0.00 176.54 177.66 1xs2 h ARG 305 N 0.81 1.27 -0.46 4.80 2.43 -0.95 -1.29 114.38 120.99 1xs2 h ARG 305 Ca 0.19 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1xs2 h ARG 305 Cb 0.29 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xs2 h ARG 305 CO -0.01 0.84 -0.17 0.00 -1.51 0.00 0.00 179.97 179.13 1xs2 h ALA 306 N 1.36 0.64 -0.53 2.80 0.00 -0.87 -0.60 119.26 122.06 1xs2 h ALA 306 Ca 0.36 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xs2 h ALA 306 Cb -0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1xs2 h ALA 306 CO -0.08 0.58 0.35 0.45 0.00 0.00 0.00 179.25 180.55 1xs2 h HIS 307 N 0.77 0.65 -0.64 0.00 3.86 -0.89 -1.43 115.15 117.47 1xs2 h HIS 307 Ca 0.11 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1xs2 h HIS 307 Cb 0.73 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 1xs2 h HIS 307 CO 0.05 0.40 0.41 -0.91 0.86 0.00 0.00 177.93 178.75 1xs2 h ASN 308 N 0.70 0.70 -0.64 2.45 2.35 -1.07 -0.58 115.58 119.50 1xs2 h ASN 308 Ca 0.20 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1xs2 h ASN 308 Cb -0.06 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1xs2 h ASN 308 CO -0.05 0.50 0.17 0.40 -1.65 0.00 0.00 177.43 176.80 1xs2 h ILE 309 N 0.83 1.25 -0.15 2.81 2.04 -0.63 -0.10 117.51 123.56 1xs2 h ILE 309 Ca 0.24 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1xs2 h ILE 309 Cb -0.06 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1xs2 h ILE 309 CO -0.07 0.34 0.00 0.45 0.00 0.00 0.00 178.15 178.88 1xs2 h HIS 310 N 0.94 0.30 -0.98 1.37 3.86 -1.02 -2.71 115.15 116.91 1xs2 h HIS 310 Ca 0.20 -0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.50 1xs2 h HIS 310 Cb 0.33 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 28.64 1xs2 h HIS 310 CO 0.02 0.49 0.62 1.25 0.86 0.00 0.00 177.93 181.17 1xs2 h LEU 311 N 0.02 0.83 0.00 2.43 5.85 -0.91 -2.81 115.31 120.72 1xs2 h LEU 311 Ca 0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1xs2 h LEU 311 Cb 0.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1xs2 h LEU 311 CO 0.01 0.41 0.00 -1.20 -0.34 0.00 0.00 178.44 177.32 1xs2 n SER 312 N -4.63 0.00 0.00 1.25 7.64 -0.07 -2.46 113.62 115.35 1xs2 n SER 312 Ca 0.19 0.19 0.14 0.00 1.01 0.00 0.00 58.87 60.40 1xs2 n SER 312 Cb 0.43 -0.32 0.61 0.00 -1.01 0.00 0.00 64.21 63.91 1xs2 n SER 312 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xs2 n THR 313 N -1.32 0.04 -2.11 0.44 -2.24 -1.06 -4.77 114.28 103.26 1xs2 n THR 313 Ca 0.05 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 1xs2 n THR 313 Cb 0.09 -0.52 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 1xs2 n THR 313 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xs2 s LEU 314 N -3.04 3.78 0.51 3.22 1.02 -1.03 -3.41 118.68 119.73 1xs2 s LEU 314 Ca 0.14 2.35 0.30 0.00 0.02 0.00 0.00 54.13 56.94 1xs2 s LEU 314 Cb 0.19 -4.49 1.08 0.00 0.02 0.00 0.00 46.19 42.98 1xs2 s LEU 314 CO 0.52 -1.35 1.88 0.77 0.02 0.00 0.00 176.35 178.19 1xs2 h SER 315 N 1.26 0.00 -0.16 2.29 4.64 -1.90 -2.47 113.55 117.22 1xs2 h SER 315 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xs2 h SER 315 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1xs2 h SER 315 CO 0.57 0.03 0.00 -3.20 -0.87 0.00 0.00 176.83 173.35 1xs2 n ASN 316 N -3.12 1.62 -4.51 4.97 4.05 -1.26 -4.39 115.26 112.61 1xs2 n ASN 316 Ca 0.01 -1.69 -0.43 0.00 0.45 0.00 0.00 54.58 52.92 1xs2 n ASN 316 Cb 0.37 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.28 1xs2 n ASN 316 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1xs2 n PHE 317 N 0.29 4.63 -0.09 1.20 3.01 -0.93 -1.89 117.46 123.67 1xs2 n PHE 317 Ca 0.16 -2.91 0.08 0.00 1.01 0.00 0.00 57.45 55.79 1xs2 n PHE 317 Cb 0.32 -2.57 0.20 0.00 -0.01 0.00 0.00 39.48 37.42 1xs2 n PHE 317 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xs2 n ARG 318 N 7.89 2.54 -4.31 -1.08 1.74 -1.13 -4.88 116.66 117.44 1xs2 n ARG 318 Ca 0.48 -2.16 -0.25 0.00 -0.77 0.00 0.00 57.85 55.16 1xs2 n ARG 318 Cb 0.45 -1.38 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 1xs2 n ARG 318 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xs2 s LEU 319 N -1.06 2.31 0.69 0.55 1.43 -1.23 -5.04 118.68 116.33 1xs2 s LEU 319 Ca 0.31 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1xs2 s LEU 319 Cb 0.17 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.47 1xs2 s LEU 319 CO 0.22 0.07 1.26 -2.84 0.23 0.00 0.00 176.35 175.30 1xs2 s PRO 320 N -2.00 2.32 0.34 1.29 0.02 -1.26 -4.57 135.00 131.14 1xs2 s PRO 320 Ca 0.08 1.96 0.09 0.00 0.02 0.00 0.00 61.00 63.15 1xs2 s PRO 320 Cb -0.10 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1xs2 s PRO 320 CO 0.05 -1.75 0.07 0.20 -0.33 0.00 0.00 177.00 175.23 1xs2 s GLY 321 N -1.63 2.04 -1.25 0.52 0.00 -0.65 -4.55 107.32 101.80 1xs2 s GLY 321 Ca 0.80 -1.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 1xs2 s GLY 321 CO 0.42 -1.85 2.10 1.22 0.00 0.00 0.00 173.10 174.99 1xs2 n ASP 322 N -1.04 7.01 -2.98 1.64 8.00 0.43 -1.25 116.55 128.35 1xs2 n ASP 322 Ca -0.04 -3.22 -0.25 0.00 0.71 0.00 0.00 54.79 51.99 1xs2 n ASP 322 Cb 0.62 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.32 1xs2 n ASP 322 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xs2 n THR 323 N 1.91 2.44 -2.08 -3.53 -2.24 -1.26 -4.25 114.28 105.27 1xs2 n THR 323 Ca 0.51 -5.38 -0.28 0.00 -2.27 0.00 0.00 64.05 56.62 1xs2 n THR 323 Cb 0.29 -1.17 0.17 0.00 -2.10 0.00 0.00 70.33 67.52 1xs2 n THR 323 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xs2 s SER 324 N -3.27 3.30 0.30 3.42 1.04 -1.26 -4.84 113.70 112.39 1xs2 s SER 324 Ca 0.47 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.69 1xs2 s SER 324 Cb 0.30 -0.17 -0.11 0.00 0.10 0.00 0.00 66.02 66.13 1xs2 s SER 324 CO -0.13 -2.60 1.59 -0.44 0.98 0.00 0.00 173.24 172.65 1xs2 s SER 325 N -4.88 6.35 0.38 7.02 0.01 -1.26 -4.88 113.70 116.44 1xs2 s SER 325 Ca 0.73 2.98 0.05 0.00 1.31 0.00 0.00 55.95 61.02 1xs2 s SER 325 Cb -0.04 -2.64 0.73 0.00 0.21 0.00 0.00 66.02 64.29 1xs2 s SER 325 CO 0.51 -0.92 1.99 0.00 0.41 0.00 0.00 173.24 175.23 1xs2 h ALA 326 N 4.64 1.57 0.00 1.44 0.00 -1.45 -1.78 119.26 123.68 1xs2 h ALA 326 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xs2 h ALA 326 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xs2 h ALA 326 CO 0.78 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 179.25 1xs2 n SER 327 N -4.41 0.55 0.16 0.00 3.41 -1.26 -1.48 113.62 110.59 1xs2 n SER 327 Ca 0.03 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 1xs2 n SER 327 Cb 0.11 -0.80 0.35 0.00 -0.26 0.00 0.00 64.21 63.60 1xs2 n SER 327 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1xs2 h ARG 328 N 0.00 0.00 0.00 4.33 3.08 -1.68 -3.36 114.38 116.74 1xs2 h ARG 328 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1xs2 h ARG 328 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1xs2 h ARG 328 CO 0.00 0.00 -1.57 0.66 -1.07 0.00 0.00 179.97 177.99 1xs2 n TYR 329 N -2.59 0.00 -4.48 3.04 4.02 -0.55 -4.82 117.16 111.79 1xs2 n TYR 329 Ca 0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.68 1xs2 n TYR 329 Cb 0.44 -0.40 -0.17 0.00 -0.02 0.00 0.00 39.34 39.20 1xs2 n TYR 329 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1xs2 s TRP 330 N -2.20 1.51 0.22 -0.72 0.52 -0.85 -1.22 118.94 116.21 1xs2 s TRP 330 Ca -0.09 -0.60 -0.10 0.00 0.02 0.00 0.00 56.10 55.32 1xs2 s TRP 330 Cb 0.03 -1.13 0.32 0.00 -1.15 0.00 0.00 33.47 31.55 1xs2 s TRP 330 CO 0.28 -0.33 1.65 1.05 0.02 0.00 0.00 176.95 179.62 1xs2 h GLU 331 N 7.18 0.09 -3.06 4.98 9.09 -1.82 -3.40 114.58 127.63 1xs2 h GLU 331 Ca -0.31 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 58.91 1xs2 h GLU 331 Cb 1.18 -0.02 -0.29 0.00 -1.65 0.00 0.00 28.75 27.97 1xs2 h GLU 331 CO 0.47 0.06 -0.48 0.50 0.05 0.00 0.00 179.01 179.61 1xs2 s ARG 332 N -6.16 0.22 0.55 1.06 3.52 -1.26 -5.05 118.95 111.83 1xs2 s ARG 332 Ca -0.14 0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 55.89 1xs2 s ARG 332 Cb 0.20 -0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1xs2 s ARG 332 CO 0.74 -0.13 0.85 0.34 -0.81 0.00 0.00 175.30 176.29 1xs2 s ASP 333 N 1.00 5.86 0.00 -2.12 -1.08 -1.26 -4.89 116.67 114.17 1xs2 s ASP 333 Ca -0.07 0.78 0.24 0.00 -0.52 0.00 0.00 52.55 52.98 1xs2 s ASP 333 Cb -0.08 -1.90 1.13 0.00 -1.46 0.00 0.00 42.92 40.61 1xs2 s ASP 333 CO -0.07 -0.87 1.80 0.18 0.52 0.00 0.00 175.17 176.73 1xs2 n LEU 334 N -2.45 0.00 -4.61 -1.34 4.77 -1.26 -4.85 117.00 107.26 1xs2 n LEU 334 Ca 0.03 0.40 -0.24 0.00 -0.03 0.00 0.00 56.01 56.16 1xs2 n LEU 334 Cb 0.57 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1xs2 n LEU 334 CO 0.53 -0.07 -0.36 0.27 -1.33 0.00 0.00 177.39 176.43 1xs2 s ILE 335 N -2.79 3.32 0.22 -0.08 -4.36 -1.26 -1.56 121.20 114.68 1xs2 s ILE 335 Ca 0.17 -1.88 0.15 0.00 -0.26 0.00 0.00 60.65 58.83 1xs2 s ILE 335 Cb 0.16 -2.74 0.06 0.00 1.25 0.00 0.00 42.46 41.20 1xs2 s ILE 335 CO 0.41 -0.31 1.68 1.56 0.24 0.00 0.00 174.94 178.52 1xs2 h GLN 336 N 2.19 0.00 -5.69 0.37 4.20 -1.45 -3.44 115.11 111.29 1xs2 h GLN 336 Ca -0.45 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.66 1xs2 h GLN 336 Cb 1.24 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.94 1xs2 h GLN 336 CO 0.59 0.48 -0.28 -1.21 -0.67 0.00 0.00 178.83 177.74 1xs2 s GLU 337 N -3.62 4.08 0.02 1.46 8.01 -1.26 -5.06 118.70 122.34 1xs2 s GLU 337 Ca -0.01 0.21 -0.30 0.00 0.01 0.00 0.00 54.97 54.88 1xs2 s GLU 337 Cb 0.12 -3.34 -0.04 0.00 -4.31 0.00 0.00 34.13 26.56 1xs2 s GLU 337 CO 0.72 0.41 0.97 -1.25 0.01 0.00 0.00 175.26 176.13 1xs2 s PRO 338 N -0.11 4.58 -0.68 0.39 0.04 -1.26 -5.00 135.00 132.97 1xs2 s PRO 338 Ca 0.20 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1xs2 s PRO 338 Cb -0.14 -3.44 0.18 0.00 0.04 0.00 0.00 34.50 31.13 1xs2 s PRO 338 CO 0.07 0.00 0.58 -0.51 0.04 0.00 0.00 177.00 177.19 1xs2 s LEU 339 N 0.82 6.16 -0.09 -3.56 1.43 -1.26 -5.04 118.68 117.14 1xs2 s LEU 339 Ca 0.51 -2.47 0.01 0.00 -1.03 0.00 0.00 54.13 51.15 1xs2 s LEU 339 Cb -0.21 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1xs2 s LEU 339 CO 0.28 -0.59 -0.13 -1.61 0.23 0.00 0.00 176.35 174.54 1xs2 s GLU 340 N 0.51 1.89 0.30 1.70 0.41 -1.26 -1.01 118.70 121.24 1xs2 s GLU 340 Ca 0.14 -0.44 -0.16 0.00 -0.41 0.00 0.00 54.97 54.09 1xs2 s GLU 340 Cb -0.18 -1.66 -0.09 0.00 -1.78 0.00 0.00 34.13 30.43 1xs2 s GLU 340 CO -0.05 -0.07 0.74 0.00 -0.49 0.00 0.00 175.26 175.39 1xs2 s ALA 341 N 1.03 3.34 -0.04 5.21 0.00 -1.26 -4.57 121.76 125.46 1xs2 s ALA 341 Ca -0.07 0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1xs2 s ALA 341 Cb -0.15 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1xs2 s ALA 341 CO -0.01 0.32 -0.04 0.08 0.00 0.00 0.00 175.76 176.11 1xs2 s VAL 342 N -1.87 0.50 -1.62 0.00 1.01 -0.92 -4.82 120.40 112.67 1xs2 s VAL 342 Ca 0.52 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 1xs2 s VAL 342 Cb -0.12 -0.51 0.12 0.00 0.00 0.00 0.00 36.38 35.87 1xs2 s VAL 342 CO 0.18 0.20 0.77 -0.67 0.00 0.00 0.00 175.10 175.58 1xs2 n ASP 343 N 3.85 -3.10 -0.61 3.32 2.03 -1.25 -1.41 116.55 119.38 1xs2 n ASP 343 Ca -0.24 -0.96 -0.08 0.00 0.52 0.00 0.00 54.79 54.03 1xs2 n ASP 343 Cb 0.52 -3.04 -0.03 0.00 -0.72 0.00 0.00 41.12 37.84 1xs2 n ASP 343 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xs2 n GLY 344 N -1.56 0.96 3.03 0.27 0.00 -1.15 -4.75 105.19 101.99 1xs2 n GLY 344 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1xs2 n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xs2 s LEU 345 N -1.82 1.83 -0.30 0.99 1.43 -0.50 -1.30 118.68 119.01 1xs2 s LEU 345 Ca 0.00 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 1xs2 s LEU 345 Cb 0.00 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1xs2 s LEU 345 CO 0.00 -0.06 0.25 -0.32 0.23 0.00 0.00 176.35 176.45 1xs2 s MET 346 N 1.45 3.82 0.47 1.70 -2.45 0.01 -2.17 119.30 122.13 1xs2 s MET 346 Ca 0.04 -0.34 -0.24 0.00 -1.25 0.00 0.00 55.69 53.90 1xs2 s MET 346 Cb -0.13 -3.71 -0.07 0.00 1.25 0.00 0.00 34.83 32.17 1xs2 s MET 346 CO -0.11 -0.29 1.36 -2.14 1.05 0.00 0.00 175.02 174.89 1xs2 s PRO 347 N 1.84 3.61 -0.07 4.11 0.02 -1.26 -1.31 135.00 141.93 1xs2 s PRO 347 Ca 0.09 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 1xs2 s PRO 347 Cb -0.16 -2.55 -0.02 0.00 0.02 0.00 0.00 34.50 31.78 1xs2 s PRO 347 CO 0.11 -0.82 1.10 0.08 -0.33 0.00 0.00 177.00 177.14 1xs2 s VAL 348 N -1.27 4.52 0.19 3.83 1.01 -0.41 -4.92 120.40 123.34 1xs2 s VAL 348 Ca 0.63 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 64.12 1xs2 s VAL 348 Cb -0.40 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.71 1xs2 s VAL 348 CO 0.50 0.01 1.55 -2.84 0.00 0.00 0.00 175.10 174.32 1xs2 s PRO 349 N 2.04 4.22 0.56 2.72 0.02 -1.26 -4.95 135.00 138.34 1xs2 s PRO 349 Ca 0.52 2.37 -0.18 0.00 0.02 0.00 0.00 61.00 63.73 1xs2 s PRO 349 Cb -0.22 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 1xs2 s PRO 349 CO 0.20 -0.58 1.11 1.14 -0.33 0.00 0.00 177.00 178.55 1xs2 s GLN 350 N 0.76 3.29 0.00 5.54 1.03 -1.26 -4.50 119.66 124.52 1xs2 s GLN 350 Ca 0.68 1.50 0.00 0.00 0.04 0.00 0.00 55.36 57.58 1xs2 s GLN 350 Cb -0.44 -2.01 0.00 0.00 0.03 0.00 0.00 33.01 30.59 1xs2 s GLN 350 CO 0.34 -0.87 0.00 0.41 -2.54 0.00 0.00 175.29 172.63 1xs2 n GLY 351 N -0.13 1.10 3.79 2.60 0.00 -1.26 -4.48 105.19 106.82 1xs2 n GLY 351 Ca 0.11 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 1xs2 n GLY 351 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xs2 s PRO 352 N -1.12 3.51 7.38 1.61 0.04 -1.26 -3.89 135.00 141.27 1xs2 s PRO 352 Ca 0.00 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1xs2 s PRO 352 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1xs2 s PRO 352 CO 0.00 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1xs2 n GLY 353 N -0.26 3.39 0.21 0.56 0.00 -0.62 -1.51 105.19 106.96 1xs2 n GLY 353 Ca 0.10 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1xs2 n GLY 353 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xs2 h THR 354 N 0.00 0.00 0.00 2.61 1.35 -1.86 -0.36 112.91 114.65 1xs2 h THR 354 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1xs2 h THR 354 Cb 0.00 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xs2 h THR 354 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1xs2 n GLY 355 N 0.03 0.40 3.40 5.82 0.00 -0.57 -4.68 105.19 109.60 1xs2 n GLY 355 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1xs2 n GLY 355 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xs2 s VAL 356 N -1.85 1.85 -0.04 1.61 -7.23 -1.26 -4.44 120.40 109.04 1xs2 s VAL 356 Ca 0.00 -2.22 -0.01 0.00 -1.81 0.00 0.00 61.98 57.95 1xs2 s VAL 356 Cb 0.00 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.73 1xs2 s VAL 356 CO 0.00 -0.45 0.02 -0.89 -0.31 0.00 0.00 175.10 173.47 1xs2 s THR 357 N -2.89 0.10 0.40 5.32 2.01 -1.26 -5.05 115.64 114.26 1xs2 s THR 357 Ca 0.26 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 1xs2 s THR 357 Cb 0.00 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 72.16 1xs2 s THR 357 CO 0.10 0.16 1.34 0.18 -0.69 0.00 0.00 174.62 175.71 1xs2 n LEU 358 N 4.58 4.23 -4.36 4.42 4.77 -1.26 -1.26 117.00 128.12 1xs2 n LEU 358 Ca -0.18 1.15 -0.46 0.00 -0.03 0.00 0.00 56.01 56.49 1xs2 n LEU 358 Cb 0.50 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1xs2 n LEU 358 CO 0.17 -0.40 0.49 -0.62 -1.33 0.00 0.00 177.39 175.69 1xs2 s ASP 359 N -0.41 6.48 0.33 -1.43 -1.08 -0.60 -4.66 116.67 115.30 1xs2 s ASP 359 Ca 0.59 -2.06 0.05 0.00 -0.52 0.00 0.00 52.55 50.61 1xs2 s ASP 359 Cb -0.51 -2.27 0.58 0.00 -1.46 0.00 0.00 42.92 39.26 1xs2 s ASP 359 CO 0.60 -0.87 1.82 0.03 0.52 0.00 0.00 175.17 177.26 1xs2 h ARG 360 N 8.57 0.40 -0.03 4.34 2.47 -1.92 -0.65 114.38 127.55 1xs2 h ARG 360 Ca -0.06 -0.12 -0.22 0.00 -1.26 0.00 0.00 59.98 58.32 1xs2 h ARG 360 Cb 1.06 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1xs2 h ARG 360 CO 0.97 0.56 -0.90 1.49 0.56 0.00 0.00 179.97 182.64 1xs2 h GLU 361 N 0.37 0.49 -0.11 0.04 4.57 -1.98 -1.68 114.58 116.28 1xs2 h GLU 361 Ca 0.07 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 1xs2 h GLU 361 Cb 0.50 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1xs2 h GLU 361 CO 0.03 1.13 0.02 0.35 -1.18 0.00 0.00 179.01 179.36 1xs2 h PHE 362 N 0.30 0.18 -0.90 0.92 3.57 -1.89 -2.74 116.94 116.38 1xs2 h PHE 362 Ca -0.07 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.64 1xs2 h PHE 362 Cb 1.53 -0.05 -0.14 0.00 2.79 0.00 0.00 35.95 40.08 1xs2 h PHE 362 CO 0.07 0.35 0.34 1.25 -2.23 0.00 0.00 178.31 178.08 1xs2 h LEU 363 N -0.04 0.20 -1.09 0.59 5.85 -1.09 -0.94 115.31 118.79 1xs2 h LEU 363 Ca 0.03 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1xs2 h LEU 363 Cb 0.26 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1xs2 h LEU 363 CO 0.00 -0.09 0.62 0.00 -0.34 0.00 0.00 178.44 178.63 1xs2 h ALA 364 N 1.76 1.38 0.00 1.25 0.00 -1.00 -0.36 119.26 122.29 1xs2 h ALA 364 Ca 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1xs2 h ALA 364 Cb 1.16 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xs2 h ALA 364 CO -0.60 0.54 0.00 0.25 0.00 0.00 0.00 179.25 179.45 1xs2 n THR 365 N -4.43 0.81 -0.73 0.00 -2.24 -0.36 -3.02 114.28 104.31 1xs2 n THR 365 Ca 0.12 0.17 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 1xs2 n THR 365 Cb 0.07 -1.04 0.10 0.00 -2.10 0.00 0.00 70.33 67.36 1xs2 n THR 365 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xs2 n VAL 366 N -2.05 1.61 -2.91 2.28 0.24 -0.20 -5.02 118.33 112.27 1xs2 n VAL 366 Ca 0.03 -1.86 -0.42 0.00 -2.04 0.00 0.00 64.34 60.04 1xs2 n VAL 366 Cb 0.24 -0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.56 1xs2 n VAL 366 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1xs2 s THR 367 N -2.28 4.71 0.07 3.34 2.01 -0.88 -1.20 115.64 121.42 1xs2 s THR 367 Ca 0.22 1.04 -0.21 0.00 0.31 0.00 0.00 61.69 63.05 1xs2 s THR 367 Cb 0.19 -4.22 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 1xs2 s THR 367 CO 0.02 -0.41 1.56 -0.08 -0.69 0.00 0.00 174.62 175.02 1xs2 h GLU 368 N 8.38 0.26 -2.11 4.92 4.57 -1.57 -3.48 114.58 125.54 1xs2 h GLU 368 Ca -0.24 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 1xs2 h GLU 368 Cb 1.09 -0.03 -0.20 0.00 -0.16 0.00 0.00 28.75 29.44 1xs2 h GLU 368 CO 0.92 0.40 0.10 0.00 -1.18 0.00 0.00 179.01 179.26 1xs2 s ALA 369 N -5.29 -1.66 0.04 2.92 0.00 -1.08 -5.02 121.76 111.67 1xs2 s ALA 369 Ca -0.14 1.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.39 1xs2 s ALA 369 Cb 0.06 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1xs2 s ALA 369 CO 0.71 -0.34 0.05 1.14 0.00 0.00 0.00 175.76 177.33 1xs2 s GLN 370 N -0.31 0.54 -0.06 0.00 -2.07 -1.26 -0.55 119.66 115.95 1xs2 s GLN 370 Ca -0.05 -0.80 -0.19 0.00 -1.82 0.00 0.00 55.36 52.51 1xs2 s GLN 370 Cb -0.03 0.21 0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1xs2 s GLN 370 CO 0.05 -0.12 0.42 -1.83 -1.32 0.00 0.00 175.29 172.49 1xs2 s GLU 371 N -2.60 0.72 -0.11 9.60 -1.05 -0.45 -5.00 118.70 119.82 1xs2 s GLU 371 Ca -0.05 0.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 1xs2 s GLU 371 Cb -0.01 0.33 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1xs2 s GLU 371 CO -0.05 -0.19 -0.22 -2.00 0.95 0.00 0.00 175.26 173.75 1xs2 s GLU 372 N -0.95 3.11 0.07 -4.83 2.12 -1.26 -1.69 118.70 115.27 1xs2 s GLU 372 Ca -0.10 -0.84 0.07 0.00 0.36 0.00 0.00 54.97 54.46 1xs2 s GLU 372 Cb -0.04 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1xs2 s GLU 372 CO 0.05 0.18 -0.16 -1.01 -0.54 0.00 0.00 175.26 173.78 1xs2 s HIS 373 N 0.36 2.61 0.14 5.30 3.76 0.13 -5.00 115.29 122.59 1xs2 s HIS 373 Ca -0.17 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 1xs2 s HIS 373 Cb -0.18 -1.43 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 1xs2 s HIS 373 CO 0.08 0.33 0.07 0.54 -0.85 0.00 0.00 174.74 174.91 1xs2 n ARG 374 N 1.17 0.62 0.00 1.40 1.74 -1.26 -1.65 116.66 118.67 1xs2 n ARG 374 Ca -0.15 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 1xs2 n ARG 374 Cb 0.52 0.78 0.00 0.00 -1.02 0.00 0.00 32.46 32.74 1xs2 n ARG 374 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11