#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 2.23 -0.02 2.89 -1.94 -1.26 -4.99 119.30 116.20 1xs2 s MET 7 Ca 0.00 0.53 0.04 0.00 -1.71 0.00 0.00 55.69 54.55 1xs2 s MET 7 Cb 0.00 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.89 1xs2 s MET 7 CO 0.00 -1.50 -0.14 -0.59 -0.01 0.00 0.00 175.02 172.79 1xs2 s PHE 8 N -3.25 1.32 -0.14 -0.03 -0.71 0.24 -4.91 117.98 110.50 1xs2 s PHE 8 Ca 0.60 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 56.11 1xs2 s PHE 8 Cb -0.13 -0.88 -0.04 0.00 -1.21 0.00 0.00 43.02 40.75 1xs2 s PHE 8 CO 0.53 -0.09 0.10 0.21 -1.34 0.00 0.00 175.22 174.64 1xs2 s LYS 9 N -0.08 3.62 -0.44 1.99 2.20 -1.26 0.02 119.74 125.80 1xs2 s LYS 9 Ca 0.00 -0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.24 1xs2 s LYS 9 Cb -0.08 -3.18 0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1xs2 s LYS 9 CO 0.01 0.58 0.33 0.42 -0.36 0.00 0.00 175.35 176.32 1xs2 s ILE 10 N -0.47 5.08 -0.09 5.43 1.01 -0.89 -4.18 121.20 127.08 1xs2 s ILE 10 Ca 0.11 -0.94 0.15 0.00 0.00 0.00 0.00 60.65 59.97 1xs2 s ILE 10 Cb -0.12 -3.95 -0.21 0.00 0.01 0.00 0.00 42.46 38.19 1xs2 s ILE 10 CO 0.02 -0.45 0.57 -0.62 0.00 0.00 0.00 174.94 174.46 1xs2 n GLU 11 N 5.14 0.64 -3.64 2.79 1.02 -0.78 0.50 120.64 126.31 1xs2 n GLU 11 Ca -0.12 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1xs2 n GLU 11 Cb 0.45 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.69 -1.02 -0.03 0.62 0.00 -1.19 -4.40 121.76 113.05 1xs2 s ALA 12 Ca -0.05 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 1xs2 s ALA 12 Cb 0.08 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1xs2 s ALA 12 CO 0.83 -0.55 0.15 0.00 0.00 0.00 0.00 175.76 176.18 1xs2 s ALA 13 N -3.07 -0.35 -0.04 0.00 0.00 -0.80 -1.18 121.76 116.31 1xs2 s ALA 13 Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.18 1xs2 s ALA 13 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1xs2 s ALA 13 CO -0.07 -0.13 -0.20 -1.21 0.00 0.00 0.00 175.76 174.15 1xs2 s GLU 14 N -0.57 1.94 -0.23 0.00 2.02 -0.23 -0.39 118.70 121.23 1xs2 s GLU 14 Ca -0.07 -0.71 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 1xs2 s GLU 14 Cb -0.04 -1.71 -0.01 0.00 0.10 0.00 0.00 34.13 32.47 1xs2 s GLU 14 CO 0.01 0.32 -0.01 0.42 0.02 0.00 0.00 175.26 176.02 1xs2 s ILE 15 N -0.13 3.66 -0.15 -1.63 1.01 -0.74 -1.40 121.20 121.81 1xs2 s ILE 15 Ca -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1xs2 s ILE 15 Cb -0.11 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1xs2 s ILE 15 CO 0.02 0.39 -0.21 -0.69 0.00 0.00 0.00 174.94 174.45 1xs2 s VAL 16 N 1.52 2.14 -0.21 2.92 1.01 -0.66 -1.07 120.40 126.04 1xs2 s VAL 16 Ca 0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1xs2 s VAL 16 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1xs2 s VAL 16 CO -0.01 0.54 0.04 -0.69 0.00 0.00 0.00 175.10 174.98 1xs2 s VAL 17 N 0.92 4.26 0.08 2.92 1.01 0.30 0.03 120.40 129.93 1xs2 s VAL 17 Ca -0.04 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1xs2 s VAL 17 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1xs2 s VAL 17 CO -0.04 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 175.38 1xs2 s ALA 18 N 1.04 2.98 -0.52 5.51 0.00 -0.01 -0.89 121.76 129.87 1xs2 s ALA 18 Ca 0.03 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 1xs2 s ALA 18 Cb -0.14 -0.96 0.13 0.00 0.00 0.00 0.00 23.12 22.15 1xs2 s ALA 18 CO 0.02 0.64 0.39 1.03 0.00 0.00 0.00 175.76 177.85 1xs2 s ARG 19 N -2.04 2.58 -0.22 0.00 1.81 0.32 0.25 118.95 121.66 1xs2 s ARG 19 Ca 0.21 -1.93 -0.16 0.00 -1.72 0.00 0.00 55.73 52.13 1xs2 s ARG 19 Cb -0.11 -3.94 -0.04 0.00 -0.45 0.00 0.00 34.95 30.41 1xs2 s ARG 19 CO 0.13 -1.20 0.41 -1.17 -0.68 0.00 0.00 175.30 172.79 1xs2 s LEU 20 N 1.07 4.12 0.17 2.53 2.96 0.01 -4.82 118.68 124.72 1xs2 s LEU 20 Ca 0.08 0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 1xs2 s LEU 20 Cb -0.24 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.85 1xs2 s LEU 20 CO -0.02 -0.12 1.12 -2.16 -1.32 0.00 0.00 176.35 173.85 1xs2 s PRO 21 N 1.56 4.56 0.81 0.98 0.04 -1.26 -0.34 135.00 141.35 1xs2 s PRO 21 Ca 0.19 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1xs2 s PRO 21 Cb -0.15 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.19 1xs2 s PRO 21 CO 0.08 0.02 1.14 -0.51 0.04 0.00 0.00 177.00 177.78 1xs2 s LEU 22 N -0.21 2.47 0.00 -3.56 1.43 -1.26 -3.99 118.68 113.56 1xs2 s LEU 22 Ca 0.51 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1xs2 s LEU 22 Cb -0.30 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1xs2 s LEU 22 CO 0.35 -1.96 0.48 1.17 0.23 0.00 0.00 176.35 176.62 1xs2 n LYS 23 N -3.38 0.80 0.01 1.70 3.00 -0.01 -4.30 118.16 115.98 1xs2 n LYS 23 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.18 1xs2 n LYS 23 Cb 0.59 -1.32 -0.14 0.00 0.00 0.00 0.00 35.03 34.17 1xs2 n LYS 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1xs2 n THR 34 N -0.03 1.78 -4.52 3.15 5.66 -1.26 -4.96 114.28 114.10 1xs2 n THR 34 Ca 0.00 -0.67 -0.24 0.00 -3.05 0.00 0.00 64.05 60.09 1xs2 n THR 34 Cb 0.16 -1.69 -0.11 0.00 -1.55 0.00 0.00 70.33 67.14 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 -2.56 2.21 -0.03 1.09 0.09 -1.26 -4.63 115.29 110.20 1xs2 s HIS 35 Ca -0.21 -0.82 0.01 0.00 -0.00 0.00 0.00 55.06 54.05 1xs2 s HIS 35 Cb 0.07 -1.50 0.02 0.00 -0.00 0.00 0.00 32.58 31.17 1xs2 s HIS 35 CO 0.78 0.22 -0.04 0.21 -0.00 0.00 0.00 174.74 175.91 1xs2 s LYS 36 N -3.80 0.66 -0.24 1.40 2.20 0.53 -4.86 119.74 115.63 1xs2 s LYS 36 Ca 0.36 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.58 1xs2 s LYS 36 Cb 0.09 -0.69 0.00 0.00 -1.51 0.00 0.00 37.83 35.72 1xs2 s LYS 36 CO 0.16 -0.05 1.15 0.08 -0.36 0.00 0.00 175.35 176.34 1xs2 s VAL 37 N 0.72 4.44 -0.33 4.02 1.01 -1.26 -0.81 120.40 128.20 1xs2 s VAL 37 Ca -0.09 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1xs2 s VAL 37 Cb -0.12 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.11 1xs2 s VAL 37 CO -0.00 -0.29 0.04 -0.69 0.00 0.00 0.00 175.10 174.16 1xs2 s VAL 38 N 3.58 2.74 -0.14 2.92 1.01 0.14 -4.95 120.40 125.69 1xs2 s VAL 38 Ca 0.49 -1.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.40 1xs2 s VAL 38 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1xs2 s VAL 38 CO 0.13 -0.36 0.78 -2.16 0.00 0.00 0.00 175.10 173.49 1xs2 s PRO 39 N 1.11 4.33 0.06 2.72 0.04 -1.26 -0.83 135.00 141.17 1xs2 s PRO 39 Ca 0.01 0.94 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1xs2 s PRO 39 Cb -0.20 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1xs2 s PRO 39 CO -0.04 -0.21 -0.16 -0.51 0.04 0.00 0.00 177.00 176.11 1xs2 s LEU 40 N 1.74 2.71 -0.07 -3.56 1.43 0.10 -0.50 118.68 120.54 1xs2 s LEU 40 Ca 0.37 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1xs2 s LEU 40 Cb -0.17 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1xs2 s LEU 40 CO 0.14 0.23 -0.21 -0.22 0.23 0.00 0.00 176.35 176.52 1xs2 s LEU 41 N -1.68 2.31 -0.15 1.79 2.96 -0.41 -1.66 118.68 121.84 1xs2 s LEU 41 Ca 0.16 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1xs2 s LEU 41 Cb -0.11 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1xs2 s LEU 41 CO 0.07 0.25 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.57 1xs2 s ILE 42 N -0.20 1.67 -0.09 6.68 1.01 -0.50 -1.25 121.20 128.52 1xs2 s ILE 42 Ca -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1xs2 s ILE 42 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1xs2 s ILE 42 CO 0.03 0.47 -0.02 -0.76 0.00 0.00 0.00 174.94 174.67 1xs2 s LEU 43 N 1.44 3.47 -0.09 2.97 1.43 0.65 -1.07 118.68 127.47 1xs2 s LEU 43 Ca 0.05 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1xs2 s LEU 43 Cb -0.13 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1xs2 s LEU 43 CO -0.11 0.34 -0.22 -1.00 0.23 0.00 0.00 176.35 175.59 1xs2 s HIS 44 N -0.67 2.58 -0.08 0.29 3.76 -0.33 -0.25 115.29 120.59 1xs2 s HIS 44 Ca 0.11 -0.86 -0.31 0.00 -0.15 0.00 0.00 55.06 53.85 1xs2 s HIS 44 Cb -0.12 -1.70 0.12 0.00 1.11 0.00 0.00 32.58 31.99 1xs2 s HIS 44 CO 0.02 -0.31 0.99 0.20 -0.85 0.00 0.00 174.74 174.80 1xs2 s GLY 45 N 0.16 -0.39 -1.26 -2.22 0.00 -0.56 -1.87 107.32 101.18 1xs2 s GLY 45 Ca -0.12 1.31 -0.12 0.00 0.00 0.00 0.00 44.72 45.78 1xs2 s GLY 45 CO 0.07 0.48 0.46 1.18 0.00 0.00 0.00 173.10 175.29 1xs2 n GLU 46 N -0.08 -2.62 -0.96 2.90 -0.58 -1.26 0.10 120.64 118.15 1xs2 n GLU 46 Ca -0.06 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1xs2 n GLU 46 Cb 0.60 -4.94 0.00 0.00 -0.57 0.00 0.00 31.44 26.53 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 -1.05 0.21 3.06 0.62 0.00 -1.26 -5.00 105.19 101.76 1xs2 n GLY 47 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.31 0.00 -3.95 1.61 0.24 0.28 -5.15 118.33 109.05 1xs2 n VAL 48 Ca 0.00 -2.04 -0.10 0.00 -2.04 0.00 0.00 64.34 60.16 1xs2 n VAL 48 Cb 0.27 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.01 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 -3.52 0.35 -0.01 7.34 -2.07 -1.26 -1.50 119.66 119.00 1xs2 s GLN 49 Ca 0.03 -0.55 0.06 0.00 -1.82 0.00 0.00 55.36 53.08 1xs2 s GLN 49 Cb 0.00 0.13 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 1xs2 s GLN 49 CO 0.02 -0.07 -0.17 0.20 -1.32 0.00 0.00 175.29 173.95 1xs2 s GLY 50 N -1.43 1.51 -0.00 2.60 0.00 0.65 -4.46 107.32 106.19 1xs2 s GLY 50 Ca -0.16 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1xs2 s GLY 50 CO -0.00 -0.92 -0.12 0.14 0.00 0.00 0.00 173.10 172.19 1xs2 s VAL 51 N -0.80 0.96 0.13 1.40 1.01 -1.26 -0.26 120.40 121.59 1xs2 s VAL 51 Ca 0.13 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1xs2 s VAL 51 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1xs2 s VAL 51 CO 0.02 0.22 0.14 0.00 0.00 0.00 0.00 175.10 175.49 1xs2 s ALA 52 N -0.38 0.40 -0.07 5.51 0.00 -0.38 -4.43 121.76 122.42 1xs2 s ALA 52 Ca 0.04 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1xs2 s ALA 52 Cb -0.05 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1xs2 s ALA 52 CO -0.00 -0.54 -0.19 -2.00 0.00 0.00 0.00 175.76 173.03 1xs2 s GLU 53 N -3.99 2.27 0.24 0.00 2.12 -1.26 -1.29 118.70 116.79 1xs2 s GLU 53 Ca 0.18 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1xs2 s GLU 53 Cb 0.06 -1.83 -0.09 0.00 0.26 0.00 0.00 34.13 32.53 1xs2 s GLU 53 CO -0.01 0.18 0.92 0.20 -0.54 0.00 0.00 175.26 176.00 1xs2 s GLY 54 N 0.29 3.06 0.00 -1.50 0.00 0.34 -4.88 107.32 104.64 1xs2 s GLY 54 Ca -0.12 0.58 0.19 0.00 0.00 0.00 0.00 44.72 45.36 1xs2 s GLY 54 CO 0.05 1.12 1.11 -1.30 0.00 0.00 0.00 173.10 174.08 1xs2 n THR 55 N 1.40 0.05 -2.22 0.90 -2.24 -1.26 -4.46 114.28 106.45 1xs2 n THR 55 Ca -0.02 -0.53 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 1xs2 n THR 55 Cb 0.48 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 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 -1.53 3.36 0.43 -0.78 0.23 -1.26 -5.06 119.30 114.70 1xs2 s MET 56 Ca 0.23 1.48 0.07 0.00 -1.03 0.00 0.00 55.69 56.44 1xs2 s MET 56 Cb 0.16 -2.02 -0.02 0.00 -1.53 0.00 0.00 34.83 31.42 1xs2 s MET 56 CO 0.24 -0.81 0.32 -1.21 -2.03 0.00 0.00 175.02 171.52 1xs2 s GLU 57 N -3.49 2.39 0.19 3.16 2.02 -1.26 -4.63 118.70 117.09 1xs2 s GLU 57 Ca 0.70 -1.70 -0.11 0.00 0.02 0.00 0.00 54.97 53.87 1xs2 s GLU 57 Cb -0.21 -2.21 0.19 0.00 0.10 0.00 0.00 34.13 32.01 1xs2 s GLU 57 CO 0.29 -0.22 1.79 0.00 0.02 0.00 0.00 175.26 177.13 1xs2 h ALA 58 N 1.13 0.74 -2.79 5.21 0.00 -1.95 -2.11 119.26 119.50 1xs2 h ALA 58 Ca -0.41 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.92 1xs2 h ALA 58 Cb 1.27 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1xs2 h ALA 58 CO 0.62 -0.07 -0.69 1.03 0.00 0.00 0.00 179.25 180.13 1xs2 s ARG 59 N -6.11 2.17 -1.11 0.00 0.52 -1.26 -4.38 118.95 108.77 1xs2 s ARG 59 Ca -0.13 -1.28 -0.20 0.00 -0.52 0.00 0.00 55.73 53.60 1xs2 s ARG 59 Cb 0.15 -2.19 0.08 0.00 0.52 0.00 0.00 34.95 33.52 1xs2 s ARG 59 CO 0.74 0.42 1.48 -1.25 0.02 0.00 0.00 175.30 176.72 1xs2 s PRO 60 N -3.05 3.77 -0.17 3.54 0.04 -1.26 -4.74 135.00 133.13 1xs2 s PRO 60 Ca 0.27 -1.67 -0.11 0.00 0.04 0.00 0.00 61.00 59.53 1xs2 s PRO 60 Cb -0.08 -5.31 -0.07 0.00 0.04 0.00 0.00 34.50 29.08 1xs2 s PRO 60 CO 0.17 -2.10 -0.26 -1.33 0.04 0.00 0.00 177.00 173.52 1xs2 n MET 61 N 7.97 0.41 -0.04 4.56 2.81 -1.26 -4.73 117.12 126.84 1xs2 n MET 61 Ca 0.37 0.18 -0.14 0.00 -1.81 0.00 0.00 57.70 56.30 1xs2 n MET 61 Cb 0.48 -1.20 -0.12 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.72 0.06 -1.04 2.03 3.20 -1.96 -3.48 116.97 115.05 1xs2 h TYR 62 Ca -0.34 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1xs2 h TYR 62 Cb 1.21 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1xs2 h TYR 62 CO -0.15 0.82 0.00 -2.13 -1.64 0.00 0.00 178.16 175.06 1xs2 n ARG 63 N -4.67 0.32 0.04 1.82 0.63 -1.26 -5.04 116.66 108.51 1xs2 n ARG 63 Ca -0.09 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.95 1xs2 n ARG 63 Cb 0.41 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.50 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 0.21 -3.18 -0.14 0.00 -1.26 -4.51 120.64 111.77 1xs2 n GLU 64 Ca 0.00 0.05 -0.27 0.00 0.00 0.00 0.00 57.16 56.94 1xs2 n GLU 64 Cb 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 31.44 29.80 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 -3.12 3.59 0.14 3.44 2.02 -1.26 -4.80 118.70 118.71 1xs2 s GLU 65 Ca 0.07 -0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.09 1xs2 s GLU 65 Cb 0.15 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1xs2 s GLU 65 CO 0.72 0.10 -0.07 0.95 0.02 0.00 0.00 175.26 176.98 1xs2 s THR 66 N -2.29 0.95 0.14 3.63 -4.23 -1.26 -4.26 115.64 108.32 1xs2 s THR 66 Ca 0.44 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.76 1xs2 s THR 66 Cb -0.10 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1xs2 s THR 66 CO 0.34 -0.74 1.74 0.40 -0.54 0.00 0.00 174.62 175.82 1xs2 h ILE 67 N 2.82 0.89 -0.71 2.99 2.04 -1.58 0.18 117.51 124.14 1xs2 h ILE 67 Ca -0.36 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1xs2 h ILE 67 Cb 1.18 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1xs2 h ILE 67 CO 0.64 0.03 0.37 0.00 0.00 0.00 0.00 178.15 179.19 1xs2 h ALA 68 N 1.18 1.31 -0.21 1.87 0.00 -1.87 0.15 119.26 121.69 1xs2 h ALA 68 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xs2 h ALA 68 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xs2 h ALA 68 CO -0.15 0.55 -0.33 0.78 0.00 0.00 0.00 179.25 180.11 1xs2 h GLY 69 N 1.05 0.66 0.97 0.00 0.00 -1.88 -2.50 103.07 101.38 1xs2 h GLY 69 Ca 0.25 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1xs2 h GLY 69 CO -0.04 0.66 -0.07 0.00 0.00 0.00 0.00 176.54 177.10 1xs2 h ALA 70 N 0.63 0.56 -0.02 3.60 0.00 -0.10 -1.74 119.26 122.18 1xs2 h ALA 70 Ca 0.02 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1xs2 h ALA 70 Cb 0.91 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xs2 h ALA 70 CO 0.08 0.40 -0.85 -0.07 0.00 0.00 0.00 179.25 178.81 1xs2 h LEU 71 N 0.59 0.42 -0.85 0.00 3.38 -0.78 -1.70 115.31 116.37 1xs2 h LEU 71 Ca 0.11 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1xs2 h LEU 71 Cb 0.58 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1xs2 h LEU 71 CO 0.03 1.09 0.18 -0.78 0.09 0.00 0.00 178.44 179.06 1xs2 h ASP 72 N 0.20 0.98 -0.36 -0.43 3.58 -1.42 -1.63 116.42 117.34 1xs2 h ASP 72 Ca -0.05 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.12 1xs2 h ASP 72 Cb 1.46 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 1xs2 h ASP 72 CO 0.14 0.93 -0.11 0.25 -2.88 0.00 0.00 179.24 177.57 1xs2 h LEU 73 N 1.00 0.80 0.34 2.28 5.85 -1.11 -0.03 115.31 124.43 1xs2 h LEU 73 Ca 0.22 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xs2 h LEU 73 Cb 0.32 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1xs2 h LEU 73 CO -0.00 0.93 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.79 1xs2 h LEU 74 N 0.73 -0.39 -0.31 2.25 3.38 -1.02 -1.11 115.31 118.83 1xs2 h LEU 74 Ca 0.12 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1xs2 h LEU 74 Cb 0.60 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1xs2 h LEU 74 CO 0.04 -0.11 -0.85 0.08 0.09 0.00 0.00 178.44 177.69 1xs2 h ARG 75 N -0.68 0.26 0.00 1.13 0.11 -1.34 0.82 114.38 114.69 1xs2 h ARG 75 Ca -0.05 -0.27 -0.04 0.00 0.10 0.00 0.00 59.98 59.72 1xs2 h ARG 75 Cb 0.48 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1xs2 h ARG 75 CO 0.08 0.97 -0.37 0.78 0.10 0.00 0.00 179.97 181.52 1xs2 h GLY 76 N 1.63 0.00 0.00 0.08 0.00 -1.09 -3.40 103.07 100.29 1xs2 h GLY 76 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xs2 h GLY 76 CO 0.13 0.00 -0.00 2.41 0.00 0.00 0.00 176.54 179.08 1xs2 n THR 77 N -3.07 0.06 -0.08 4.70 -1.04 -0.63 -4.85 114.28 109.38 1xs2 n THR 77 Ca 0.02 0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 1xs2 n THR 77 Cb 0.61 -0.55 -0.05 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.71 -0.10 -1.42 0.04 -1.15 -2.97 116.94 112.05 1xs2 h PHE 78 Ca 0.00 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 1xs2 h PHE 78 Cb 0.00 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 1xs2 h PHE 78 CO 0.00 0.93 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.46 1xs2 h LEU 79 N 0.29 0.27 -1.73 1.54 3.38 -1.08 -2.81 115.31 115.16 1xs2 h LEU 79 Ca 0.03 -0.49 0.25 0.00 0.09 0.00 0.00 57.88 57.76 1xs2 h LEU 79 Cb 0.83 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1xs2 h LEU 79 CO 0.06 0.71 0.65 -0.65 0.09 0.00 0.00 178.44 179.30 1xs2 h PRO 80 N -0.16 0.20 0.00 1.13 0.11 -1.76 0.12 132.00 131.64 1xs2 h PRO 80 Ca 0.01 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1xs2 h PRO 80 Cb 0.64 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1xs2 h PRO 80 CO 0.03 0.13 -0.42 0.00 -0.21 0.00 0.00 178.00 177.53 1xs2 h ALA 81 N 1.57 0.76 0.00 -0.75 0.00 -1.33 -3.33 119.26 116.18 1xs2 h ALA 81 Ca 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xs2 h ALA 81 Cb 1.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xs2 h ALA 81 CO -0.11 0.53 -1.56 0.44 0.00 0.00 0.00 179.25 178.55 1xs2 n ILE 82 N -3.25 0.09 -1.91 0.00 -5.35 -0.80 -4.88 119.36 103.26 1xs2 n ILE 82 Ca 0.02 -0.29 -0.42 0.00 -0.27 0.00 0.00 62.75 61.79 1xs2 n ILE 82 Cb 0.67 0.12 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 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 -3.92 4.36 0.00 7.28 1.43 0.36 -1.77 118.68 126.42 1xs2 s LEU 83 Ca -0.04 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1xs2 s LEU 83 Cb 0.07 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1xs2 s LEU 83 CO 0.48 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1xs2 n GLY 84 N 4.14 0.29 3.91 -3.19 0.00 0.18 -4.66 105.19 105.85 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 -0.97 3.60 -0.12 1.61 -1.52 -0.73 -4.83 119.66 116.71 1xs2 s GLN 85 Ca 0.00 -0.11 -0.04 0.00 -1.95 0.00 0.00 55.36 53.26 1xs2 s GLN 85 Cb 0.00 -2.75 -0.03 0.00 -0.22 0.00 0.00 33.01 30.00 1xs2 s GLN 85 CO 0.00 0.34 0.02 0.99 -0.25 0.00 0.00 175.29 176.39 1xs2 s THR 86 N -1.90 4.47 0.10 -0.19 2.01 -1.26 -2.09 115.64 116.77 1xs2 s THR 86 Ca 0.42 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.30 1xs2 s THR 86 Cb -0.11 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1xs2 s THR 86 CO 0.28 0.56 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.27 1xs2 s PHE 87 N -0.44 1.27 -0.19 4.92 0.40 0.10 -4.92 117.98 119.12 1xs2 s PHE 87 Ca 0.09 -0.53 0.21 0.00 -0.60 0.00 0.00 56.93 56.09 1xs2 s PHE 87 Cb -0.12 -0.69 -0.06 0.00 0.51 0.00 0.00 43.02 42.66 1xs2 s PHE 87 CO 0.02 0.08 0.93 0.00 0.70 0.00 0.00 175.22 176.96 1xs2 n ALA 88 N 0.87 2.34 -3.73 5.36 0.00 -1.26 -0.59 120.51 123.50 1xs2 n ALA 88 Ca -0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 1xs2 n ALA 88 Cb 0.56 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 1xs2 n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs2 s ASN 89 N -5.45 -0.13 0.51 0.00 2.20 -1.26 -4.84 114.94 105.98 1xs2 s ASN 89 Ca -0.02 -0.35 0.18 0.00 -0.94 0.00 0.00 52.86 51.73 1xs2 s ASN 89 Cb 0.09 0.39 1.26 0.00 -2.00 0.00 0.00 41.25 41.00 1xs2 s ASN 89 CO 0.80 -0.73 2.09 -0.65 -2.94 0.00 0.00 177.10 175.67 1xs2 h PRO 90 N 2.00 0.07 -0.18 3.55 0.11 -1.93 -2.06 132.00 133.54 1xs2 h PRO 90 Ca -0.26 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1xs2 h PRO 90 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xs2 h PRO 90 CO 0.27 0.05 -0.35 0.93 -0.21 0.00 0.00 178.00 178.68 1xs2 h GLU 91 N 0.07 0.39 -0.28 1.05 3.07 -1.95 -1.06 114.58 115.87 1xs2 h GLU 91 Ca 0.10 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.72 1xs2 h GLU 91 Cb 0.31 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1xs2 h GLU 91 CO -0.01 0.70 -0.13 0.00 -1.40 0.00 0.00 179.01 178.16 1xs2 h ALA 92 N 1.29 1.25 0.04 3.43 0.00 -1.77 -1.64 119.26 121.86 1xs2 h ALA 92 Ca 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xs2 h ALA 92 Cb 0.78 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xs2 h ALA 92 CO 0.06 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 180.06 1xs2 h VAL 93 N 0.44 1.18 -0.43 0.00 2.07 -1.27 -2.30 116.25 115.93 1xs2 h VAL 93 Ca 0.08 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1xs2 h VAL 93 Cb 0.50 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1xs2 h VAL 93 CO 0.03 0.18 0.15 -1.28 0.02 0.00 0.00 177.57 176.67 1xs2 h SER 94 N -0.36 0.56 0.59 0.57 0.87 -1.09 -1.95 113.55 112.74 1xs2 h SER 94 Ca -0.01 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1xs2 h SER 94 Cb 0.33 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1xs2 h SER 94 CO 0.01 0.53 -0.31 -0.78 -0.53 0.00 0.00 176.83 175.75 1xs2 h ASP 95 N 0.61 0.00 0.02 6.23 1.82 -1.24 -2.88 116.42 120.98 1xs2 h ASP 95 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1xs2 h ASP 95 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1xs2 h ASP 95 CO -0.01 0.31 0.00 0.00 -1.61 0.00 0.00 179.24 177.93 1xs2 n ALA 96 N -2.34 2.65 -1.39 -0.78 0.00 -0.73 -4.02 120.51 113.89 1xs2 n ALA 96 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xs2 n ALA 96 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.01 0.28 0.00 0.00 4.77 -1.09 -4.87 117.00 115.08 1xs2 n LEU 97 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1xs2 n LEU 97 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1xs2 n LEU 97 CO 0.18 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1xs2 n GLY 98 N 2.74 1.48 0.30 -0.72 0.00 -1.22 -4.47 105.19 103.29 1xs2 n GLY 98 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1xs2 n GLY 98 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xs2 h SER 99 N 0.00 0.56 -4.19 1.61 0.02 -1.93 -3.45 113.55 106.17 1xs2 h SER 99 Ca 0.00 -0.04 -0.48 0.00 -0.84 0.00 0.00 61.79 60.43 1xs2 h SER 99 Cb 0.00 -0.14 0.04 0.00 0.14 0.00 0.00 62.40 62.44 1xs2 h SER 99 CO 0.00 0.47 0.38 -0.31 -1.14 0.00 0.00 176.83 176.23 1xs2 s TYR 100 N -5.39 3.20 -0.07 3.45 1.51 -1.26 -5.02 117.35 113.78 1xs2 s TYR 100 Ca -0.09 1.50 -0.03 0.00 -1.01 0.00 0.00 57.07 57.44 1xs2 s TYR 100 Cb 0.17 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1xs2 s TYR 100 CO 0.75 -0.75 0.06 1.03 -1.11 0.00 0.00 175.55 175.53 1xs2 s ARG 101 N -4.02 3.11 5.84 -0.62 0.52 -1.26 -4.98 118.95 117.54 1xs2 s ARG 101 Ca 0.62 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1xs2 s ARG 101 Cb -0.13 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1xs2 s ARG 101 CO 0.33 0.70 0.00 0.41 0.02 0.00 0.00 175.30 176.77 1xs2 n GLY 102 N 1.82 2.82 3.94 -3.53 0.00 -1.26 -4.92 105.19 104.06 1xs2 n GLY 102 Ca -0.17 -0.40 -0.28 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 1.11 -2.23 -0.18 1.61 3.02 -1.26 -4.87 115.26 112.46 1xs2 n ASN 103 Ca 0.00 -0.91 -0.06 0.00 -0.03 0.00 0.00 54.58 53.58 1xs2 n ASN 103 Cb 0.00 -3.42 0.10 0.00 -0.61 0.00 0.00 39.78 35.84 1xs2 n ASN 103 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1xs2 h ARG 104 N -1.84 0.97 -0.56 3.52 3.08 -1.87 -1.49 114.38 116.19 1xs2 h ARG 104 Ca -0.61 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.13 1xs2 h ARG 104 Cb 1.37 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1xs2 h ARG 104 CO 0.65 0.92 0.13 0.52 -1.07 0.00 0.00 179.97 181.12 1xs2 h MET 105 N 0.90 0.86 -0.20 0.04 2.86 -1.82 0.29 114.93 117.86 1xs2 h MET 105 Ca 0.18 -0.18 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1xs2 h MET 105 Cb 0.45 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1xs2 h MET 105 CO 0.02 0.78 -0.65 0.00 1.06 0.00 0.00 176.91 178.12 1xs2 h ALA 106 N 1.31 0.47 -0.50 6.32 0.00 -1.78 -2.53 119.26 122.55 1xs2 h ALA 106 Ca 0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1xs2 h ALA 106 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xs2 h ALA 106 CO -0.00 0.69 0.12 0.00 0.00 0.00 0.00 179.25 180.07 1xs2 h ARG 107 N 0.54 0.76 0.00 0.00 3.08 -0.80 -2.93 114.38 115.03 1xs2 h ARG 107 Ca -0.01 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1xs2 h ARG 107 Cb 1.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1xs2 h ARG 107 CO 0.13 0.69 -0.34 0.00 -1.07 0.00 0.00 179.97 179.38 1xs2 h ALA 108 N 1.40 1.27 -0.58 0.04 0.00 -0.02 -0.97 119.26 120.41 1xs2 h ALA 108 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1xs2 h ALA 108 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xs2 h ALA 108 CO -0.00 0.42 0.20 0.52 0.00 0.00 0.00 179.25 180.39 1xs2 h MET 109 N 0.00 0.88 0.03 0.00 2.86 -1.28 0.35 114.93 117.77 1xs2 h MET 109 Ca -0.00 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1xs2 h MET 109 Cb 0.67 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1xs2 h MET 109 CO 0.04 0.78 -0.02 0.28 1.06 0.00 0.00 176.91 179.05 1xs2 h VAL 110 N 0.80 1.23 -0.92 -2.22 2.07 -1.44 -2.71 116.25 113.06 1xs2 h VAL 110 Ca 0.19 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1xs2 h VAL 110 Cb 0.25 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1xs2 h VAL 110 CO -0.01 0.22 0.54 -0.08 0.02 0.00 0.00 177.57 178.26 1xs2 h GLU 111 N -0.42 1.25 0.03 1.57 4.22 -1.06 0.18 114.58 120.35 1xs2 h GLU 111 Ca -0.00 -0.12 -0.15 0.00 0.08 0.00 0.00 59.36 59.16 1xs2 h GLU 111 Cb 0.39 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1xs2 h GLU 111 CO 0.01 0.88 -0.61 0.52 -2.18 0.00 0.00 179.01 177.64 1xs2 h MET 112 N 1.27 0.36 -0.88 1.92 2.86 -1.02 -0.60 114.93 118.83 1xs2 h MET 112 Ca 0.33 -0.42 0.10 0.00 -2.06 0.00 0.00 59.70 57.65 1xs2 h MET 112 Cb -0.04 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1xs2 h MET 112 CO -0.06 1.11 0.57 0.00 1.06 0.00 0.00 176.91 179.60 1xs2 h ALA 113 N 0.26 1.67 -0.72 6.32 0.00 -1.33 -1.50 119.26 123.96 1xs2 h ALA 113 Ca -0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xs2 h ALA 113 Cb 1.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1xs2 h ALA 113 CO 0.12 0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.73 1xs2 h ALA 114 N 1.56 1.04 -0.42 0.00 0.00 -0.69 -1.20 119.26 119.55 1xs2 h ALA 114 Ca 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1xs2 h ALA 114 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xs2 h ALA 114 CO -0.18 0.65 0.17 -1.49 0.00 0.00 0.00 179.25 178.40 1xs2 h TRP 115 N 1.06 0.64 -0.59 0.00 4.06 -0.43 -0.36 115.95 120.34 1xs2 h TRP 115 Ca 0.23 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.13 1xs2 h TRP 115 Cb 0.30 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1xs2 h TRP 115 CO 0.02 0.56 0.34 0.22 -3.56 0.00 0.00 178.44 176.02 1xs2 h ASP 116 N 0.54 0.73 -0.03 -3.49 -0.00 -1.14 -0.58 116.42 112.45 1xs2 h ASP 116 Ca 0.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.03 57.09 1xs2 h ASP 116 Cb 0.19 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1xs2 h ASP 116 CO -0.01 0.59 -0.01 0.25 -0.00 0.00 0.00 179.24 180.06 1xs2 h LEU 117 N 0.80 0.05 -0.12 2.28 5.85 -1.01 -1.30 115.31 121.86 1xs2 h LEU 117 Ca 0.21 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1xs2 h LEU 117 Cb 0.01 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1xs2 h LEU 117 CO -0.04 0.42 -0.26 -0.25 -0.34 0.00 0.00 178.44 177.96 1xs2 h TRP 118 N -0.31 -0.71 -1.00 1.25 -0.00 -1.01 0.03 115.95 114.19 1xs2 h TRP 118 Ca 0.01 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 59.01 1xs2 h TRP 118 Cb 0.39 0.33 -0.07 0.00 -0.00 0.00 0.00 29.16 29.81 1xs2 h TRP 118 CO 0.05 -0.35 0.64 0.00 -0.00 0.00 0.00 178.44 178.79 1xs2 h ALA 119 N 0.56 1.45 0.00 2.65 0.00 -0.96 -1.05 119.26 121.91 1xs2 h ALA 119 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1xs2 h ALA 119 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xs2 h ALA 119 CO -0.31 0.37 -0.53 0.00 0.00 0.00 0.00 179.25 178.77 1xs2 h ARG 120 N 1.11 0.00 0.00 0.00 3.08 -0.28 -1.16 114.38 117.14 1xs2 h ARG 120 Ca 0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.47 1xs2 h ARG 120 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1xs2 h ARG 120 CO -0.20 0.53 -0.13 1.79 -1.07 0.00 0.00 179.97 180.89 1xs2 h THR 121 N 0.00 0.69 0.00 2.04 1.35 0.32 -2.76 112.91 114.55 1xs2 h THR 121 Ca -0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1xs2 h THR 121 Cb 1.10 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1xs2 h THR 121 CO 0.07 0.13 -1.03 0.18 -0.25 0.00 0.00 175.52 174.62 1xs2 n LEU 122 N -3.80 0.78 -1.55 3.87 4.77 -0.92 -4.99 117.00 115.16 1xs2 n LEU 122 Ca -0.02 -0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 55.50 1xs2 n LEU 122 Cb 0.23 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1xs2 n LEU 122 CO 0.31 0.18 -0.18 0.61 -1.33 0.00 0.00 177.39 176.99 1xs2 n GLY 123 N 1.46 0.02 3.39 -0.72 0.00 -0.53 -5.04 105.19 103.76 1xs2 n GLY 123 Ca 0.03 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.69 2.71 0.56 1.61 1.01 -0.65 -4.71 120.40 118.24 1xs2 s VAL 124 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1xs2 s VAL 124 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 1xs2 s VAL 124 CO 0.00 0.57 0.95 -2.65 0.00 0.00 0.00 175.10 173.97 1xs2 n PRO 125 N 2.71 0.99 0.09 2.72 -0.02 -1.25 -1.85 135.00 138.39 1xs2 n PRO 125 Ca -0.17 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1xs2 n PRO 125 Cb 0.52 -2.12 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.72 -0.18 -0.71 2.45 5.85 -1.60 -2.80 115.31 119.04 1xs2 h LEU 126 Ca -0.48 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.22 1xs2 h LEU 126 Cb 1.36 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.33 1xs2 h LEU 126 CO 0.52 0.08 0.15 1.23 -0.34 0.00 0.00 178.44 180.08 1xs2 h GLY 127 N -0.44 0.95 0.79 3.75 0.00 -1.83 -1.13 103.07 105.16 1xs2 h GLY 127 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1xs2 h GLY 127 CO 0.03 -0.19 0.57 -0.84 0.00 0.00 0.00 176.54 176.12 1xs2 h THR 128 N 0.25 1.10 0.00 4.70 2.02 -1.66 -0.12 112.91 119.19 1xs2 h THR 128 Ca 0.40 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1xs2 h THR 128 Cb 0.67 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1xs2 h THR 128 CO -0.51 0.20 -0.33 -0.07 0.37 0.00 0.00 175.52 175.18 1xs2 h LEU 129 N 1.08 0.00 -0.36 2.58 3.38 -0.98 -2.77 115.31 118.24 1xs2 h LEU 129 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1xs2 h LEU 129 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xs2 h LEU 129 CO -0.15 0.33 -0.18 0.18 0.09 0.00 0.00 178.44 178.71 1xs2 n LEU 130 N -3.70 0.74 0.00 1.67 4.77 -0.43 -4.93 117.00 115.12 1xs2 n LEU 130 Ca -0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1xs2 n LEU 130 Cb 0.43 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1xs2 n LEU 130 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1xs2 n GLY 131 N 1.31 0.76 3.79 -0.72 0.00 -0.70 -5.02 105.19 104.61 1xs2 n GLY 131 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.16 2.69 -0.18 -0.02 0.00 -0.19 -4.85 107.32 103.62 1xs2 s GLY 132 Ca 0.00 0.59 0.23 0.00 0.00 0.00 0.00 44.72 45.55 1xs2 s GLY 132 CO 0.00 1.00 1.13 -2.39 0.00 0.00 0.00 173.10 172.84 1xs2 n HIS 133 N 0.01 0.88 -3.68 1.90 1.44 -1.24 -4.00 115.22 110.53 1xs2 n HIS 133 Ca 0.04 -1.62 -0.36 0.00 -2.01 0.00 0.00 57.72 53.77 1xs2 n HIS 133 Cb 0.51 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.35 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 -2.60 3.68 0.01 -1.40 1.02 -1.25 -5.00 119.74 114.21 1xs2 s LYS 134 Ca 0.30 0.11 0.22 0.00 0.02 0.00 0.00 55.97 56.63 1xs2 s LYS 134 Cb 0.34 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1xs2 s LYS 134 CO -0.08 0.69 1.02 0.39 -0.92 0.00 0.00 175.35 176.45 1xs2 n GLU 135 N 1.58 0.10 -3.78 1.68 1.02 -1.26 -4.87 120.64 115.12 1xs2 n GLU 135 Ca -0.14 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 56.88 1xs2 n GLU 135 Cb 0.53 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 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 -3.07 0.86 0.01 3.49 -2.07 -1.26 -1.99 119.66 115.62 1xs2 s GLN 136 Ca 0.07 -0.73 0.06 0.00 -1.82 0.00 0.00 55.36 52.94 1xs2 s GLN 136 Cb 0.16 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 1xs2 s GLN 136 CO 0.82 -0.29 -0.19 0.14 -1.32 0.00 0.00 175.29 174.45 1xs2 s VAL 137 N -3.28 1.52 0.28 3.63 -7.23 -0.23 -4.94 120.40 110.14 1xs2 s VAL 137 Ca 0.00 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 1xs2 s VAL 137 Cb 0.02 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1xs2 s VAL 137 CO -0.08 0.33 1.00 -1.61 -0.31 0.00 0.00 175.10 174.43 1xs2 s GLU 138 N -0.71 4.68 0.06 4.82 2.02 -1.26 -1.07 118.70 127.23 1xs2 s GLU 138 Ca 0.07 1.56 0.07 0.00 0.02 0.00 0.00 54.97 56.69 1xs2 s GLU 138 Cb -0.08 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 1xs2 s GLU 138 CO 0.00 0.32 -0.20 0.14 0.02 0.00 0.00 175.26 175.54 1xs2 s VAL 139 N -1.29 1.64 0.54 2.63 -7.23 -0.67 -1.55 120.40 114.48 1xs2 s VAL 139 Ca 0.45 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1xs2 s VAL 139 Cb -0.26 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.26 1xs2 s VAL 139 CO 0.33 0.13 0.18 -0.83 -0.31 0.00 0.00 175.10 174.60 1xs2 s GLY 140 N -1.35 2.81 0.14 2.32 0.00 -0.62 -1.73 107.32 108.88 1xs2 s GLY 140 Ca 0.07 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.36 1xs2 s GLY 140 CO 0.02 -2.11 -0.18 0.54 0.00 0.00 0.00 173.10 171.37 1xs2 s VAL 141 N -2.87 1.67 -0.18 1.40 0.11 -0.83 -4.69 120.40 115.02 1xs2 s VAL 141 Ca 0.14 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1xs2 s VAL 141 Cb -0.01 -1.68 0.01 0.00 -1.53 0.00 0.00 36.38 33.17 1xs2 s VAL 141 CO 0.09 -0.27 -0.17 -0.44 -3.33 0.00 0.00 175.10 170.99 1xs2 s SER 142 N -2.39 3.42 -0.14 3.54 0.01 -1.26 -1.76 113.70 115.11 1xs2 s SER 142 Ca 0.11 -0.57 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 1xs2 s SER 142 Cb -0.07 -1.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1xs2 s SER 142 CO 0.05 0.02 0.01 -0.76 0.41 0.00 0.00 173.24 172.98 1xs2 s LEU 143 N 1.16 3.58 1.02 2.44 1.02 0.03 -4.98 118.68 122.95 1xs2 s LEU 143 Ca 0.01 0.04 -0.17 0.00 0.02 0.00 0.00 54.13 54.04 1xs2 s LEU 143 Cb -0.14 -1.87 0.22 0.00 0.02 0.00 0.00 46.19 44.43 1xs2 s LEU 143 CO -0.07 0.24 1.27 -0.83 0.02 0.00 0.00 176.35 176.98 1xs2 s GLY 144 N -0.04 1.74 -0.00 -3.19 0.00 -1.26 -1.63 107.32 102.94 1xs2 s GLY 144 Ca 0.04 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.30 1xs2 s GLY 144 CO 0.02 -0.35 1.51 -0.42 0.00 0.00 0.00 173.10 173.85 1xs2 s ILE 145 N -3.69 3.55 0.61 0.90 1.01 -1.26 -4.68 121.20 117.63 1xs2 s ILE 145 Ca 0.73 0.89 0.01 0.00 0.00 0.00 0.00 60.65 62.29 1xs2 s ILE 145 Cb -0.05 -3.57 0.07 0.00 0.01 0.00 0.00 42.46 38.92 1xs2 s ILE 145 CO 0.54 -0.02 0.85 -1.10 0.00 0.00 0.00 174.94 175.20 1xs2 s GLN 146 N 2.85 2.23 0.31 2.79 -1.52 -1.26 -5.04 119.66 120.02 1xs2 s GLN 146 Ca 0.68 -0.98 0.15 0.00 -1.95 0.00 0.00 55.36 53.26 1xs2 s GLN 146 Cb -0.33 -2.45 0.43 0.00 -0.22 0.00 0.00 33.01 30.43 1xs2 s GLN 146 CO 0.28 -0.97 1.62 0.00 -0.25 0.00 0.00 175.29 175.96 1xs2 h ALA 147 N -0.12 0.87 -2.78 6.09 0.00 -1.95 -3.48 119.26 117.89 1xs2 h ALA 147 Ca -0.39 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.12 1xs2 h ALA 147 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xs2 h ALA 147 CO 0.47 0.63 0.44 -0.40 0.00 0.00 0.00 179.25 180.39 1xs2 n ASP 148 N -3.52 -2.04 0.21 0.00 5.68 -1.26 -5.05 116.55 110.57 1xs2 n ASP 148 Ca -0.00 -2.26 -0.15 0.00 -0.50 0.00 0.00 54.79 51.88 1xs2 n ASP 148 Cb 0.61 3.36 -0.08 0.00 -1.14 0.00 0.00 41.12 43.88 1xs2 n ASP 148 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1xs2 h GLU 149 N 0.00 -0.51 -0.35 0.11 5.08 -1.92 -2.21 114.58 114.78 1xs2 h GLU 149 Ca -0.31 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1xs2 h GLU 149 Cb 1.23 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1xs2 h GLU 149 CO 0.40 -0.34 0.14 1.96 -1.00 0.00 0.00 179.01 180.16 1xs2 h GLN 150 N -0.53 0.49 -0.01 2.33 4.20 -1.97 -1.31 115.11 118.30 1xs2 h GLN 150 Ca -0.03 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1xs2 h GLN 150 Cb 0.44 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1xs2 h GLN 150 CO 0.03 0.41 -0.52 0.00 -0.67 0.00 0.00 178.83 178.09 1xs2 h ALA 151 N 1.66 1.12 -0.17 3.87 0.00 -1.92 -1.03 119.26 122.80 1xs2 h ALA 151 Ca 0.12 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1xs2 h ALA 151 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xs2 h ALA 151 CO -0.01 0.65 -0.25 1.15 0.00 0.00 0.00 179.25 180.78 1xs2 h THR 152 N 0.03 1.35 -0.53 0.00 2.02 -0.72 -2.96 112.91 112.09 1xs2 h THR 152 Ca -0.00 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.62 1xs2 h THR 152 Cb 0.92 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1xs2 h THR 152 CO 0.07 0.44 -0.02 0.58 0.37 0.00 0.00 175.52 176.96 1xs2 h VAL 153 N 0.11 1.26 -0.67 3.16 2.07 -1.11 -1.84 116.25 119.23 1xs2 h VAL 153 Ca 0.02 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1xs2 h VAL 153 Cb 0.83 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1xs2 h VAL 153 CO 0.06 0.39 0.28 -0.78 0.02 0.00 0.00 177.57 177.54 1xs2 h ASP 154 N 0.83 0.91 -0.15 0.57 1.82 -1.23 0.13 116.42 119.31 1xs2 h ASP 154 Ca 0.15 -0.16 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 1xs2 h ASP 154 Cb 0.52 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1xs2 h ASP 154 CO 0.03 0.82 -0.47 0.25 -1.61 0.00 0.00 179.24 178.26 1xs2 h LEU 155 N 0.94 0.77 -0.61 2.28 5.85 -1.41 -2.37 115.31 120.78 1xs2 h LEU 155 Ca 0.22 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1xs2 h LEU 155 Cb 0.18 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1xs2 h LEU 155 CO -0.02 1.12 0.10 0.58 -0.34 0.00 0.00 178.44 179.88 1xs2 h VAL 156 N 0.56 1.26 -0.73 1.05 2.07 -1.09 -2.40 116.25 116.97 1xs2 h VAL 156 Ca 0.03 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1xs2 h VAL 156 Cb 1.03 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1xs2 h VAL 156 CO 0.10 0.37 0.43 -0.09 0.02 0.00 0.00 177.57 178.40 1xs2 h ARG 157 N 0.91 1.00 -0.32 1.57 2.43 -0.90 -0.44 114.38 118.63 1xs2 h ARG 157 Ca 0.19 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1xs2 h ARG 157 Cb 0.42 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1xs2 h ARG 157 CO 0.01 0.72 0.01 -0.09 -1.51 0.00 0.00 179.97 179.11 1xs2 h ARG 158 N 1.00 0.10 -0.00 0.20 2.43 -1.20 -2.26 114.38 114.65 1xs2 h ARG 158 Ca 0.26 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 1xs2 h ARG 158 Cb -0.01 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1xs2 h ARG 158 CO -0.05 0.06 -0.77 0.45 -1.51 0.00 0.00 179.97 178.16 1xs2 h HIS 159 N 0.10 0.09 -0.62 2.20 3.86 -0.92 -1.69 115.15 118.16 1xs2 h HIS 159 Ca 0.15 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1xs2 h HIS 159 Cb 0.20 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1xs2 h HIS 159 CO -0.23 0.80 0.19 0.28 0.86 0.00 0.00 177.93 179.84 1xs2 h VAL 160 N 0.04 1.23 -0.05 2.45 2.07 -1.03 -2.56 116.25 118.40 1xs2 h VAL 160 Ca -0.02 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.57 1xs2 h VAL 160 Cb 1.35 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1xs2 h VAL 160 CO 0.11 0.31 -0.59 -0.08 0.02 0.00 0.00 177.57 177.34 1xs2 h GLU 161 N 0.91 0.15 0.00 1.57 4.57 -0.82 -2.36 114.58 118.61 1xs2 h GLU 161 Ca 0.20 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1xs2 h GLU 161 Cb 0.26 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1xs2 h GLU 161 CO -0.01 0.70 0.00 1.04 -1.18 0.00 0.00 179.01 179.56 1xs2 n GLN 162 N -3.87 0.17 0.00 1.92 6.02 -0.69 -4.92 117.38 116.01 1xs2 n GLN 162 Ca -0.02 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1xs2 n GLN 162 Cb 0.60 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 0.53 0.92 3.68 1.08 0.00 -0.89 -3.89 105.19 106.62 1xs2 n GLY 163 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1xs2 n GLY 163 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xs2 n TYR 164 N -1.82 1.69 1.04 1.61 4.02 -1.09 -3.23 117.16 119.38 1xs2 n TYR 164 Ca 0.00 0.47 0.12 0.00 -0.01 0.00 0.00 57.90 58.48 1xs2 n TYR 164 Cb 0.00 -2.29 0.09 0.00 -0.02 0.00 0.00 39.34 37.13 1xs2 n TYR 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xs2 n ARG 165 N -0.52 1.73 -3.68 -0.72 5.12 -0.71 -4.81 116.66 113.06 1xs2 n ARG 165 Ca 0.10 -1.40 -0.14 0.00 -1.93 0.00 0.00 57.85 54.48 1xs2 n ARG 165 Cb 0.43 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 30.17 1xs2 n ARG 165 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1xs2 s ARG 166 N -2.23 0.71 -0.17 5.56 3.00 -1.26 -4.58 118.95 119.97 1xs2 s ARG 166 Ca 0.24 0.31 -0.02 0.00 -1.00 0.00 0.00 55.73 55.27 1xs2 s ARG 166 Cb 0.19 0.33 -0.01 0.00 0.00 0.00 0.00 34.95 35.46 1xs2 s ARG 166 CO 0.43 -0.16 -0.09 0.42 0.00 0.00 0.00 175.30 175.90 1xs2 s ILE 167 N -0.55 3.21 -0.21 4.11 -1.09 -0.26 -1.96 121.20 124.45 1xs2 s ILE 167 Ca -0.07 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.73 1xs2 s ILE 167 Cb -0.03 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1xs2 s ILE 167 CO 0.04 0.48 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.47 1xs2 s LYS 168 N 0.83 3.50 -0.22 2.79 2.20 -0.72 -0.19 119.74 127.92 1xs2 s LYS 168 Ca -0.03 -0.57 -0.09 0.00 -0.36 0.00 0.00 55.97 54.92 1xs2 s LYS 168 Cb -0.15 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1xs2 s LYS 168 CO 0.01 -0.11 0.10 -0.51 -0.36 0.00 0.00 175.35 174.48 1xs2 s LEU 169 N 1.30 3.84 0.13 5.43 1.43 0.44 -0.79 118.68 130.47 1xs2 s LEU 169 Ca 0.04 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 1xs2 s LEU 169 Cb -0.14 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 1xs2 s LEU 169 CO -0.00 0.09 1.55 -0.75 0.23 0.00 0.00 176.35 177.46 1xs2 s LYS 170 N 0.91 4.23 0.35 1.70 2.47 -0.64 -0.63 119.74 128.14 1xs2 s LYS 170 Ca 0.05 2.30 0.08 0.00 -1.56 0.00 0.00 55.97 56.84 1xs2 s LYS 170 Cb -0.13 -3.26 -0.07 0.00 -1.46 0.00 0.00 37.83 32.90 1xs2 s LYS 170 CO 0.03 -0.60 -0.04 0.96 0.16 0.00 0.00 175.35 175.86 1xs2 s ILE 171 N 1.45 1.96 0.23 5.43 -4.36 -0.67 -4.51 121.20 120.73 1xs2 s ILE 171 Ca 0.70 -2.11 -0.17 0.00 -0.26 0.00 0.00 60.65 58.81 1xs2 s ILE 171 Cb -0.42 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.57 1xs2 s ILE 171 CO 0.31 -0.13 0.55 -1.59 0.24 0.00 0.00 174.94 174.32 1xs2 s LYS 172 N -3.69 1.51 0.22 0.37 -2.85 -0.84 -4.60 119.74 109.87 1xs2 s LYS 172 Ca 0.33 -0.99 -0.32 0.00 -1.00 0.00 0.00 55.97 53.99 1xs2 s LYS 172 Cb 0.06 0.53 -0.13 0.00 -2.06 0.00 0.00 37.83 36.22 1xs2 s LYS 172 CO 0.16 -0.65 1.49 -2.30 0.10 0.00 0.00 175.35 174.15 1xs2 n PRO 173 N -0.38 2.18 0.00 1.78 -0.02 -1.26 -0.74 135.00 136.56 1xs2 n PRO 173 Ca -0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1xs2 n PRO 173 Cb 0.62 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 2.56 3.15 2.43 -1.23 0.00 -1.26 -4.94 105.19 105.89 1xs2 n GLY 174 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1xs2 n GLY 174 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs2 s TRP 175 N -2.11 0.80 0.21 1.61 -0.11 0.08 -4.94 118.94 114.48 1xs2 s TRP 175 Ca 0.00 -2.14 0.00 0.00 1.22 0.00 0.00 56.10 55.18 1xs2 s TRP 175 Cb 0.00 -0.78 0.00 0.00 -1.50 0.00 0.00 33.47 31.19 1xs2 s TRP 175 CO 0.00 -0.88 0.00 -0.40 -4.62 0.00 0.00 176.95 171.05 1xs2 n ASP 176 N 2.86 -0.57 0.06 5.86 5.68 -1.24 -1.98 116.55 127.22 1xs2 n ASP 176 Ca 0.29 0.38 0.01 0.00 -0.50 0.00 0.00 54.79 54.96 1xs2 n ASP 176 Cb 0.49 0.69 0.34 0.00 -1.14 0.00 0.00 41.12 41.50 1xs2 n ASP 176 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1xs2 h VAL 177 N 0.00 1.19 0.33 2.12 2.07 -1.92 -2.87 116.25 117.17 1xs2 h VAL 177 Ca 0.00 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1xs2 h VAL 177 Cb 0.00 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1xs2 h VAL 177 CO 0.00 0.26 -0.16 1.56 0.02 0.00 0.00 177.57 179.25 1xs2 h GLN 178 N 0.36 -0.43 -0.10 1.57 7.50 -1.92 0.05 115.11 122.14 1xs2 h GLN 178 Ca 0.08 0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.27 1xs2 h GLN 178 Cb 0.36 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1xs2 h GLN 178 CO 0.02 -0.11 0.07 -1.00 -1.50 0.00 0.00 178.83 176.30 1xs2 h PRO 179 N -0.81 0.08 0.17 1.46 0.13 -1.88 -2.00 132.00 129.16 1xs2 h PRO 179 Ca -0.05 -0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.84 1xs2 h PRO 179 Cb 0.52 -0.02 0.03 0.00 0.13 0.00 0.00 31.00 31.66 1xs2 h PRO 179 CO 0.08 0.05 -1.04 0.28 -0.23 0.00 0.00 178.00 177.14 1xs2 h VAL 180 N 0.08 1.42 0.40 1.56 2.07 -1.38 -2.23 116.25 118.18 1xs2 h VAL 180 Ca 0.04 -2.58 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 1xs2 h VAL 180 Cb 0.06 3.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1xs2 h VAL 180 CO -0.01 0.75 -0.23 -0.09 0.02 0.00 0.00 177.57 178.01 1xs2 h ARG 181 N -0.22 -0.58 -0.86 1.57 2.43 -0.84 -0.69 114.38 115.20 1xs2 h ARG 181 Ca -0.19 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1xs2 h ARG 181 Cb 1.81 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 31.43 1xs2 h ARG 181 CO 0.18 -0.38 0.56 0.00 -1.51 0.00 0.00 179.97 178.82 1xs2 h ALA 182 N -0.02 1.62 -0.26 2.80 0.00 -1.42 -1.54 119.26 120.44 1xs2 h ALA 182 Ca -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1xs2 h ALA 182 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xs2 h ALA 182 CO 0.05 0.23 -0.52 1.15 0.00 0.00 0.00 179.25 180.17 1xs2 h THR 183 N 0.90 1.29 0.02 0.00 2.02 -1.05 -2.75 112.91 113.35 1xs2 h THR 183 Ca 0.38 -1.72 -0.22 0.00 0.77 0.00 0.00 66.41 65.62 1xs2 h THR 183 Cb 0.31 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1xs2 h THR 183 CO -0.15 0.55 -1.01 -0.09 0.37 0.00 0.00 175.52 175.19 1xs2 h ARG 184 N 0.58 0.06 -0.47 6.66 9.65 -0.74 0.09 114.38 130.22 1xs2 h ARG 184 Ca 0.02 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1xs2 h ARG 184 Cb 1.10 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 1xs2 h ARG 184 CO 0.11 1.01 0.12 0.93 2.80 0.00 0.00 179.97 184.94 1xs2 h GLU 185 N 0.02 0.76 -0.03 0.20 5.08 -1.32 -1.99 114.58 117.31 1xs2 h GLU 185 Ca -0.03 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 1xs2 h GLU 185 Cb 1.74 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1xs2 h GLU 185 CO 0.14 0.74 -0.65 0.00 -1.00 0.00 0.00 179.01 178.24 1xs2 h ALA 186 N 0.98 0.86 -2.65 3.43 0.00 -1.44 -3.39 119.26 117.05 1xs2 h ALA 186 Ca 0.15 -0.58 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 1xs2 h ALA 186 Cb 0.32 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.62 1xs2 h ALA 186 CO 0.00 0.78 -0.81 1.19 0.00 0.00 0.00 179.25 180.41 1xs2 n PHE 187 N -3.80 0.86 0.25 0.00 3.01 0.01 -5.00 117.46 112.79 1xs2 n PHE 187 Ca -0.02 -3.73 0.09 0.00 1.01 0.00 0.00 57.45 54.80 1xs2 n PHE 187 Cb 0.65 -0.12 0.64 0.00 -0.01 0.00 0.00 39.48 40.64 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 5.47 0.00 -0.00 -1.08 0.11 -1.58 -3.29 132.00 131.63 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 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1xs2 h PRO 188 CO 0.52 0.13 -0.40 -0.25 -0.21 0.00 0.00 178.00 177.79 1xs2 n ASP 189 N -4.02 0.60 -4.77 -2.05 8.00 -1.26 -5.04 116.55 108.00 1xs2 n ASP 189 Ca -0.02 -0.80 -0.33 0.00 0.71 0.00 0.00 54.79 54.35 1xs2 n ASP 189 Cb 0.22 0.89 0.05 0.00 -0.02 0.00 0.00 41.12 42.26 1xs2 n ASP 189 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1xs2 s ILE 190 N -1.79 3.34 -0.42 0.53 -4.36 -1.24 -4.94 121.20 112.32 1xs2 s ILE 190 Ca 0.05 0.59 -0.28 0.00 -0.26 0.00 0.00 60.65 60.74 1xs2 s ILE 190 Cb 0.07 -3.11 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 1xs2 s ILE 190 CO 0.36 -0.42 1.66 -0.60 0.24 0.00 0.00 174.94 176.18 1xs2 s ARG 191 N -4.23 3.29 -0.08 0.37 3.52 -1.26 -4.99 118.95 115.57 1xs2 s ARG 191 Ca 0.66 1.05 0.03 0.00 -0.13 0.00 0.00 55.73 57.34 1xs2 s ARG 191 Cb -0.19 -4.17 -0.02 0.00 -1.56 0.00 0.00 34.95 29.01 1xs2 s ARG 191 CO 0.43 -1.92 -0.16 -1.17 -0.81 0.00 0.00 175.30 171.67 1xs2 s LEU 192 N 6.73 2.60 0.18 -0.88 2.96 -1.26 -1.10 118.68 127.91 1xs2 s LEU 192 Ca 0.70 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1xs2 s LEU 192 Cb -0.17 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1xs2 s LEU 192 CO 0.30 0.27 0.07 0.42 -1.32 0.00 0.00 176.35 176.09 1xs2 s THR 193 N -0.26 0.27 0.08 3.68 -4.23 0.73 -1.59 115.64 114.32 1xs2 s THR 193 Ca 0.01 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1xs2 s THR 193 Cb -0.13 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1xs2 s THR 193 CO 0.03 -0.25 -0.10 0.68 -0.54 0.00 0.00 174.62 174.43 1xs2 s VAL 194 N -3.95 0.86 -0.31 2.29 -7.23 -1.15 -0.42 120.40 110.50 1xs2 s VAL 194 Ca 0.31 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1xs2 s VAL 194 Cb 0.07 -1.16 0.04 0.00 0.56 0.00 0.00 36.38 35.89 1xs2 s VAL 194 CO 0.07 -0.48 0.05 -0.62 -0.31 0.00 0.00 175.10 173.81 1xs2 s ASP 195 N -2.16 5.05 0.00 4.85 -1.08 0.20 -1.12 116.67 122.41 1xs2 s ASP 195 Ca 0.01 -1.08 0.25 0.00 -0.52 0.00 0.00 52.55 51.21 1xs2 s ASP 195 Cb -0.05 -1.80 0.54 0.00 -1.46 0.00 0.00 42.92 40.15 1xs2 s ASP 195 CO 0.00 -0.26 1.43 0.00 0.52 0.00 0.00 175.17 176.86 1xs2 n ALA 196 N 4.75 3.33 -2.47 3.66 0.00 -0.74 -1.66 120.51 127.37 1xs2 n ALA 196 Ca -0.13 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.65 1xs2 n ALA 196 Cb 0.45 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.75 -5.92 -2.50 0.00 5.15 -1.23 -1.69 115.26 108.32 1xs2 n ASN 197 Ca 0.10 -0.04 -0.16 0.00 -0.60 0.00 0.00 54.58 53.87 1xs2 n ASN 197 Cb 0.36 -4.91 -0.01 0.00 -0.53 0.00 0.00 39.78 34.69 1xs2 n ASN 197 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xs2 n SER 198 N -2.07 -4.72 -0.96 1.20 7.64 0.53 -4.87 113.62 110.37 1xs2 n SER 198 Ca -0.23 0.07 0.12 0.00 1.01 0.00 0.00 58.87 59.84 1xs2 n SER 198 Cb 0.68 -3.96 0.24 0.00 -1.01 0.00 0.00 64.21 60.17 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 -2.28 2.46 -2.56 -0.43 0.00 -0.68 -4.72 120.51 112.30 1xs2 n ALA 199 Ca -0.17 -0.80 -0.26 0.00 0.00 0.00 0.00 53.44 52.20 1xs2 n ALA 199 Cb 0.64 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.69 2.49 0.36 0.00 1.51 -0.47 -4.72 117.35 114.83 1xs2 s TYR 200 Ca 0.35 -0.55 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1xs2 s TYR 200 Cb 0.21 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.41 1xs2 s TYR 200 CO 0.30 0.47 0.07 0.95 -1.11 0.00 0.00 175.55 176.24 1xs2 s THR 201 N -2.62 1.06 0.29 -0.71 -4.23 -1.26 -4.40 115.64 103.77 1xs2 s THR 201 Ca 0.35 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.13 1xs2 s THR 201 Cb 0.05 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.52 1xs2 s THR 201 CO 0.18 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.17 1xs2 h LEU 202 N 1.97 0.00 -2.22 4.79 3.38 -1.98 -0.15 115.31 121.10 1xs2 h LEU 202 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1xs2 h LEU 202 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xs2 h LEU 202 CO 0.67 0.15 0.06 0.00 0.09 0.00 0.00 178.44 179.41 1xs2 h ALA 203 N 1.85 1.05 -0.15 1.53 0.00 -2.04 -1.48 119.26 120.02 1xs2 h ALA 203 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xs2 h ALA 203 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xs2 h ALA 203 CO 0.02 -0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.97 1xs2 n ASP 204 N -2.71 1.22 -0.26 0.00 8.00 -0.07 -4.44 116.55 118.30 1xs2 n ASP 204 Ca -0.02 -1.71 0.04 0.00 0.71 0.00 0.00 54.79 53.80 1xs2 n ASP 204 Cb 0.11 -0.10 0.17 0.00 -0.02 0.00 0.00 41.12 41.29 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 3.81 1.06 -0.16 2.24 0.00 -1.41 -0.71 119.26 124.09 1xs2 h ALA 205 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xs2 h ALA 205 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xs2 h ALA 205 CO 0.00 -0.13 -0.43 0.78 0.00 0.00 0.00 179.25 179.47 1xs2 h GLY 206 N 0.53 0.42 0.59 0.00 0.00 -1.85 0.96 103.07 103.73 1xs2 h GLY 206 Ca 0.40 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xs2 h GLY 206 CO -0.35 0.38 -0.03 -0.09 0.00 0.00 0.00 176.54 176.46 1xs2 h ARG 207 N 0.32 0.09 -0.66 4.80 9.65 -1.74 -3.08 114.38 123.75 1xs2 h ARG 207 Ca 0.02 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1xs2 h ARG 207 Cb 0.89 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.44 1xs2 h ARG 207 CO 0.07 0.52 0.44 -0.07 2.80 0.00 0.00 179.97 183.73 1xs2 h LEU 208 N -0.34 0.71 -2.05 3.80 3.38 -1.05 -1.89 115.31 117.85 1xs2 h LEU 208 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xs2 h LEU 208 Cb 0.50 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xs2 h LEU 208 CO 0.01 0.50 -0.03 -0.09 0.09 0.00 0.00 178.44 178.91 1xs2 h ARG 209 N 0.83 0.00 0.00 1.13 2.43 -0.79 -1.00 114.38 116.98 1xs2 h ARG 209 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1xs2 h ARG 209 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1xs2 h ARG 209 CO -0.07 0.03 0.00 1.96 -1.51 0.00 0.00 179.97 180.39 1xs2 h GLN 210 N 0.00 0.00 0.00 0.20 4.20 -1.25 -0.87 115.11 117.39 1xs2 h GLN 210 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xs2 h GLN 210 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 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 -1.03 1.46 3.38 -1.28 -3.36 115.31 114.48 1xs2 h LEU 211 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xs2 h LEU 211 Cb 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1xs2 h LEU 211 CO 0.00 0.00 0.64 0.44 0.09 0.00 0.00 178.44 179.61 1xs2 h ASP 212 N 0.00 1.04 0.39 -0.43 3.45 -1.30 -1.58 116.42 118.00 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 0.60 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1xs2 h ASP 212 CO 0.00 0.68 0.00 -1.84 -1.57 0.00 0.00 179.24 176.51 1xs2 n GLU 213 N -4.48 0.03 -0.34 3.56 0.28 -1.26 -2.40 120.64 116.04 1xs2 n GLU 213 Ca 0.15 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.53 1xs2 n GLU 213 Cb 0.15 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.47 0.91 -3.91 -1.84 4.02 -0.59 -4.99 117.16 109.28 1xs2 n TYR 214 Ca 0.03 -0.46 -0.26 0.00 -0.01 0.00 0.00 57.90 57.21 1xs2 n TYR 214 Cb 0.14 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.44 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 1.64 -0.90 -4.76 7.72 8.00 -1.01 -4.93 116.55 122.31 1xs2 n ASP 215 Ca 0.24 -1.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.33 1xs2 n ASP 215 Cb 0.62 -3.13 -0.02 0.00 -0.02 0.00 0.00 41.12 38.57 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 -6.90 4.40 0.30 0.64 1.43 -1.26 -4.73 118.68 112.56 1xs2 s LEU 216 Ca 0.05 2.72 -0.01 0.00 -1.03 0.00 0.00 54.13 55.86 1xs2 s LEU 216 Cb -0.02 -3.64 0.47 0.00 0.03 0.00 0.00 46.19 43.03 1xs2 s LEU 216 CO 0.88 -0.61 1.95 0.74 0.23 0.00 0.00 176.35 179.54 1xs2 h THR 217 N 3.16 1.16 -2.11 5.49 2.02 -1.65 -3.42 112.91 117.55 1xs2 h THR 217 Ca -0.48 -0.37 0.15 0.00 0.77 0.00 0.00 66.41 66.47 1xs2 h THR 217 Cb 1.23 -0.03 -0.15 0.00 -1.74 0.00 0.00 68.15 67.46 1xs2 h THR 217 CO 0.68 0.20 0.56 -0.72 0.37 0.00 0.00 175.52 176.62 1xs2 s TYR 218 N -5.92 -0.28 -0.19 3.16 -0.85 -1.26 -4.47 117.35 107.53 1xs2 s TYR 218 Ca -0.12 0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.54 1xs2 s TYR 218 Cb 0.19 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 43.04 1xs2 s TYR 218 CO 0.80 -0.49 -0.01 0.42 -1.52 0.00 0.00 175.55 174.74 1xs2 s ILE 219 N -2.98 3.95 -0.10 -3.49 1.01 -0.04 -2.91 121.20 116.63 1xs2 s ILE 219 Ca 0.07 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 1xs2 s ILE 219 Cb -0.01 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1xs2 s ILE 219 CO -0.07 0.44 0.71 -0.70 0.00 0.00 0.00 174.94 175.32 1xs2 s GLU 220 N 0.85 4.38 -0.43 2.79 2.12 -0.28 -1.46 118.70 126.67 1xs2 s GLU 220 Ca 0.00 0.86 -0.05 0.00 0.36 0.00 0.00 54.97 56.15 1xs2 s GLU 220 Cb -0.14 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.77 1xs2 s GLU 220 CO 0.02 -0.04 0.28 0.94 -0.54 0.00 0.00 175.26 175.92 1xs2 n GLN 221 N 4.20 -0.69 0.12 4.30 -0.06 0.29 -1.78 117.38 123.75 1xs2 n GLN 221 Ca -0.00 0.17 -0.02 0.00 -2.00 0.00 0.00 57.00 55.14 1xs2 n GLN 221 Cb 0.51 -0.89 0.16 0.00 -4.06 0.00 0.00 30.24 25.95 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 0.43 0.05 0.00 3.69 0.13 -1.85 0.15 132.00 134.60 1xs2 h PRO 222 Ca -0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xs2 h PRO 222 Cb 0.64 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1xs2 h PRO 222 CO 0.19 0.66 0.00 1.28 -0.23 0.00 0.00 178.00 179.90 1xs2 n LEU 223 N -3.81 0.00 -4.76 1.56 4.77 -1.26 -1.37 117.00 112.12 1xs2 n LEU 223 Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 1xs2 n LEU 223 Cb 0.62 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1xs2 n LEU 223 CO 0.43 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.48 1xs2 s ALA 224 N -2.20 3.09 0.50 -1.18 0.00 -1.26 -4.16 121.76 116.55 1xs2 s ALA 224 Ca 0.00 1.32 0.16 0.00 0.00 0.00 0.00 51.96 53.44 1xs2 s ALA 224 Cb 0.00 -3.54 1.22 0.00 0.00 0.00 0.00 23.12 20.80 1xs2 s ALA 224 CO 0.00 -1.11 2.10 0.11 0.00 0.00 0.00 175.76 176.86 1xs2 h TRP 225 N 2.11 0.10 -0.53 0.00 5.08 -1.91 -1.79 115.95 119.01 1xs2 h TRP 225 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.47 1xs2 h TRP 225 Cb 1.27 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1xs2 h TRP 225 CO 0.50 0.06 0.00 -0.40 -1.28 0.00 0.00 178.44 177.32 1xs2 n ASP 226 N -4.49 4.47 -4.89 0.11 5.75 -1.26 -2.16 116.55 114.08 1xs2 n ASP 226 Ca 0.01 -2.54 -0.35 0.00 -0.01 0.00 0.00 54.79 51.90 1xs2 n ASP 226 Cb 0.21 -0.54 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.10 6.40 -0.08 -1.12 -1.08 -0.67 -4.90 116.67 114.12 1xs2 s ASP 227 Ca 0.46 0.44 0.03 0.00 -0.52 0.00 0.00 52.55 52.96 1xs2 s ASP 227 Cb 0.31 -2.05 -0.07 0.00 -1.46 0.00 0.00 42.92 39.66 1xs2 s ASP 227 CO 0.20 0.34 -0.04 0.18 0.52 0.00 0.00 175.17 176.37 1xs2 n LEU 228 N 1.51 1.82 0.02 -1.34 4.77 -1.26 -4.72 117.00 117.80 1xs2 n LEU 228 Ca -0.16 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1xs2 n LEU 228 Cb 0.54 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1xs2 n LEU 228 CO 0.37 0.46 0.69 0.58 -1.33 0.00 0.00 177.39 178.15 1xs2 h VAL 229 N 0.00 1.20 -0.21 4.08 2.07 -1.99 -1.01 116.25 120.40 1xs2 h VAL 229 Ca -0.19 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1xs2 h VAL 229 Cb 1.35 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1xs2 h VAL 229 CO -0.01 0.20 -0.04 0.44 0.02 0.00 0.00 177.57 178.17 1xs2 h ASP 230 N -0.39 0.29 -0.50 0.57 3.32 -2.00 -2.69 116.42 115.03 1xs2 h ASP 230 Ca -0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1xs2 h ASP 230 Cb 0.36 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1xs2 h ASP 230 CO 0.01 0.39 0.24 0.45 -1.72 0.00 0.00 179.24 178.60 1xs2 h HIS 231 N 0.31 0.72 -0.78 4.55 3.86 -1.76 -0.61 115.15 121.44 1xs2 h HIS 231 Ca 0.07 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1xs2 h HIS 231 Cb 0.28 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.46 1xs2 h HIS 231 CO 0.01 0.57 0.43 0.00 0.86 0.00 0.00 177.93 179.79 1xs2 h ALA 232 N 1.08 1.09 -0.48 2.45 0.00 -0.89 0.03 119.26 122.54 1xs2 h ALA 232 Ca 0.17 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1xs2 h ALA 232 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xs2 h ALA 232 CO -0.02 0.04 -0.15 1.49 0.00 0.00 0.00 179.25 180.61 1xs2 h GLU 233 N 0.72 0.92 -0.60 0.00 4.57 -1.13 -2.79 114.58 116.27 1xs2 h GLU 233 Ca 0.38 -0.35 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 1xs2 h GLU 233 Cb 0.36 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1xs2 h GLU 233 CO -0.25 1.00 -0.01 1.25 -1.18 0.00 0.00 179.01 179.82 1xs2 h LEU 234 N 0.81 1.05 -2.02 1.64 5.85 -0.34 -2.22 115.31 120.08 1xs2 h LEU 234 Ca 0.12 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1xs2 h LEU 234 Cb 0.69 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1xs2 h LEU 234 CO 0.05 1.10 -0.02 0.00 -0.34 0.00 0.00 178.44 179.24 1xs2 h ALA 235 N 1.00 1.92 0.00 1.25 0.00 -0.89 -0.13 119.26 122.41 1xs2 h ALA 235 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xs2 h ALA 235 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xs2 h ALA 235 CO 0.03 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1xs2 h ARG 236 N 0.00 0.00 0.00 0.00 3.08 -1.13 -3.29 114.38 113.04 1xs2 h ARG 236 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xs2 h ARG 236 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1xs2 h ARG 236 CO 0.00 0.00 -1.38 0.54 -1.07 0.00 0.00 179.97 178.06 1xs2 n ARG 237 N -2.79 0.59 -4.25 0.04 1.74 -0.12 -4.94 116.66 106.94 1xs2 n ARG 237 Ca 0.02 -0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 1xs2 n ARG 237 Cb 0.34 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 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 -3.09 1.29 -0.18 0.55 -4.36 -0.86 -4.90 121.20 109.66 1xs2 s ILE 238 Ca 0.01 -1.87 0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1xs2 s ILE 238 Cb 0.14 -1.67 -0.10 0.00 1.25 0.00 0.00 42.46 42.08 1xs2 s ILE 238 CO 0.81 -0.55 0.87 0.54 0.24 0.00 0.00 174.94 176.85 1xs2 n ARG 239 N 0.20 0.62 -2.18 0.37 1.74 -1.26 -4.72 116.66 111.43 1xs2 n ARG 239 Ca -0.13 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 1xs2 n ARG 239 Cb 0.59 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 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 -3.32 3.50 0.39 0.55 2.01 -1.26 -4.96 115.64 112.54 1xs2 s THR 240 Ca -0.03 0.98 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 1xs2 s THR 240 Cb 0.10 -3.63 -0.11 0.00 0.01 0.00 0.00 72.50 68.87 1xs2 s THR 240 CO 0.82 0.03 1.19 -2.65 -0.69 0.00 0.00 174.62 173.32 1xs2 n PRO 241 N 4.79 1.79 -3.42 4.92 -0.02 -1.26 -4.81 135.00 136.99 1xs2 n PRO 241 Ca 0.13 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 1xs2 n PRO 241 Cb 0.43 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.03 4.43 -0.13 2.45 1.43 -1.26 -0.86 118.68 123.70 1xs2 s LEU 242 Ca 0.60 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.72 1xs2 s LEU 242 Cb -0.55 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1xs2 s LEU 242 CO 0.59 0.23 -0.09 0.00 0.23 0.00 0.00 176.35 177.31 1xs2 s LEU 244 N 0.13 4.28 0.00 0.00 2.01 -0.46 -0.55 118.68 124.09 1xs2 s LEU 244 Ca -0.04 0.59 0.00 0.00 0.01 0.00 0.00 54.13 54.69 1xs2 s LEU 244 Cb -0.14 -3.23 0.00 0.00 0.01 0.00 0.00 46.19 42.82 1xs2 s LEU 244 CO 0.04 0.08 0.00 -0.67 1.01 0.00 0.00 176.35 176.81 1xs2 n ASP 245 N 0.22 0.00 0.24 2.29 -0.08 -1.26 -0.69 116.55 117.27 1xs2 n ASP 245 Ca -0.03 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.35 1xs2 n ASP 245 Cb 0.52 0.00 0.55 0.00 2.34 0.00 0.00 41.12 44.53 1xs2 n ASP 245 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1xs2 h GLU 246 N 0.00 0.00 -0.06 -0.67 3.07 -1.91 -2.81 114.58 112.20 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 0.20 0.00 -1.13 -1.40 0.00 0.00 179.01 176.68 1xs2 n SER 247 N -3.47 0.85 -4.10 1.42 3.41 -0.92 -4.47 113.62 106.34 1xs2 n SER 247 Ca -0.01 -1.46 -0.36 0.00 -0.26 0.00 0.00 58.87 56.79 1xs2 n SER 247 Cb 0.37 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.93 3.28 -0.18 -3.33 1.01 -1.06 -4.88 120.40 113.31 1xs2 s VAL 248 Ca 0.35 -2.27 0.10 0.00 0.00 0.00 0.00 61.98 60.17 1xs2 s VAL 248 Cb 0.18 -3.24 0.21 0.00 0.00 0.00 0.00 36.38 33.52 1xs2 s VAL 248 CO 0.28 -0.72 1.14 0.00 0.00 0.00 0.00 175.10 175.80 1xs2 n ALA 249 N 4.34 2.24 -3.69 5.51 0.00 -1.26 -4.73 120.51 122.91 1xs2 n ALA 249 Ca 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 53.44 51.64 1xs2 n ALA 249 Cb 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.81 -0.15 0.34 0.00 1.04 -1.26 -4.41 113.70 107.45 1xs2 s SER 250 Ca 0.20 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.39 1xs2 s SER 250 Cb 0.16 0.37 0.62 0.00 0.10 0.00 0.00 66.02 67.27 1xs2 s SER 250 CO 0.04 -0.67 1.87 0.00 0.98 0.00 0.00 173.24 175.46 1xs2 h ALA 251 N 2.00 1.37 0.00 5.32 0.00 -1.90 -1.44 119.26 124.62 1xs2 h ALA 251 Ca -0.26 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1xs2 h ALA 251 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xs2 h ALA 251 CO 0.27 0.43 -0.84 0.66 0.00 0.00 0.00 179.25 179.76 1xs2 h SER 252 N 0.45 0.03 -0.84 0.00 4.64 -1.96 -0.87 113.55 114.99 1xs2 h SER 252 Ca 0.09 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1xs2 h SER 252 Cb 0.36 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 1xs2 h SER 252 CO 0.02 0.86 0.47 0.44 -0.87 0.00 0.00 176.83 177.74 1xs2 h ASP 253 N 0.01 1.05 -0.15 4.97 3.32 -1.85 -1.58 116.42 122.19 1xs2 h ASP 253 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1xs2 h ASP 253 Cb 1.49 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1xs2 h ASP 253 CO 0.11 0.84 0.04 0.00 -1.72 0.00 0.00 179.24 178.51 1xs2 h ALA 254 N 1.25 0.20 -0.67 3.45 0.00 -0.57 -0.51 119.26 122.41 1xs2 h ALA 254 Ca 0.30 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1xs2 h ALA 254 Cb 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1xs2 h ALA 254 CO -0.05 -0.17 0.26 -0.09 0.00 0.00 0.00 179.25 179.20 1xs2 h ARG 255 N 0.05 0.43 -0.30 0.00 1.12 -1.14 -0.08 114.38 114.46 1xs2 h ARG 255 Ca 0.05 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.71 1xs2 h ARG 255 Cb 0.25 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1xs2 h ARG 255 CO 0.00 0.28 -0.54 0.87 -3.11 0.00 0.00 179.97 177.48 1xs2 h LYS 256 N 0.44 0.89 -0.24 0.20 1.57 -1.12 -1.22 116.57 117.09 1xs2 h LYS 256 Ca 0.34 -0.56 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1xs2 h LYS 256 Cb 0.45 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1xs2 h LYS 256 CO -0.33 1.19 0.11 0.00 -0.57 0.00 0.00 179.45 179.85 1xs2 h ALA 257 N 0.68 0.28 -0.03 3.86 0.00 -0.56 -1.81 119.26 121.69 1xs2 h ALA 257 Ca 0.02 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1xs2 h ALA 257 Cb 1.15 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1xs2 h ALA 257 CO 0.12 -0.30 -0.96 -0.07 0.00 0.00 0.00 179.25 178.04 1xs2 h LEU 258 N 0.23 0.80 -0.99 0.00 3.38 -0.92 -0.99 115.31 116.83 1xs2 h LEU 258 Ca 0.10 -0.62 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 1xs2 h LEU 258 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xs2 h LEU 258 CO -0.08 1.41 -0.19 0.00 0.09 0.00 0.00 178.44 179.67 1xs2 h ALA 259 N 0.54 1.15 0.00 1.53 0.00 -1.23 -2.80 119.26 118.45 1xs2 h ALA 259 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xs2 h ALA 259 Cb 1.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1xs2 h ALA 259 CO 0.18 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.25 1xs2 n LEU 260 N -4.16 0.61 -0.97 0.00 4.77 -0.68 -4.93 117.00 111.64 1xs2 n LEU 260 Ca 0.00 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 1xs2 n LEU 260 Cb 0.37 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1xs2 n LEU 260 CO 0.41 -0.22 -0.11 0.61 -1.33 0.00 0.00 177.39 176.75 1xs2 n GLY 261 N 1.04 0.08 0.18 -0.72 0.00 -1.06 -4.83 105.19 99.89 1xs2 n GLY 261 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.38 1.20 -2.67 4.61 0.00 -1.44 -3.36 119.26 117.98 1xs2 h ALA 262 Ca -0.20 -0.42 0.11 0.00 0.00 0.00 0.00 54.91 54.40 1xs2 h ALA 262 Cb 1.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1xs2 h ALA 262 CO 0.24 0.58 0.43 0.20 0.00 0.00 0.00 179.25 180.71 1xs2 s GLY 263 N -4.32 0.08 0.00 0.00 0.00 -1.24 -4.22 107.32 97.61 1xs2 s GLY 263 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1xs2 s GLY 263 CO 0.75 0.77 0.45 0.61 0.00 0.00 0.00 173.10 175.68 1xs2 n GLY 264 N -0.57 -0.44 3.11 0.20 0.00 -0.45 -4.58 105.19 102.46 1xs2 n GLY 264 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.13 0.02 -0.13 1.61 1.01 -1.08 -4.15 120.40 117.55 1xs2 s VAL 265 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1xs2 s VAL 265 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1xs2 s VAL 265 CO 0.00 -0.10 -0.21 -0.63 0.00 0.00 0.00 175.10 174.16 1xs2 s ILE 266 N -0.33 2.24 -0.49 2.22 1.01 -1.01 -1.35 121.20 123.49 1xs2 s ILE 266 Ca -0.04 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 1xs2 s ILE 266 Cb -0.03 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.56 1xs2 s ILE 266 CO 0.01 0.54 1.29 0.21 0.00 0.00 0.00 174.94 177.00 1xs2 s ASN 267 N 0.62 6.40 -0.35 3.58 3.04 0.14 -2.10 114.94 126.27 1xs2 s ASN 267 Ca -0.11 0.49 -0.11 0.00 0.04 0.00 0.00 52.86 53.16 1xs2 s ASN 267 Cb -0.16 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 1xs2 s ASN 267 CO 0.03 -1.45 0.21 -0.22 -3.04 0.00 0.00 177.10 172.63 1xs2 s LEU 268 N 5.19 4.51 -0.26 3.21 2.96 0.03 -4.63 118.68 129.70 1xs2 s LEU 268 Ca 0.52 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1xs2 s LEU 268 Cb -0.10 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.55 1xs2 s LEU 268 CO 0.30 -0.29 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.48 1xs2 s LYS 269 N 1.63 3.06 0.36 1.98 1.02 -1.26 -1.71 119.74 124.81 1xs2 s LYS 269 Ca 0.04 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.22 1xs2 s LYS 269 Cb -0.18 -3.11 0.66 0.00 -0.52 0.00 0.00 37.83 34.68 1xs2 s LYS 269 CO 0.08 -0.36 2.00 -0.24 -0.92 0.00 0.00 175.35 175.91 1xs2 h VAL 270 N 5.94 1.16 0.05 3.17 3.04 -1.91 -2.30 116.25 125.40 1xs2 h VAL 270 Ca -0.35 -0.33 -0.24 0.00 -1.01 0.00 0.00 66.70 64.77 1xs2 h VAL 270 Cb 1.13 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1xs2 h VAL 270 CO 0.59 0.16 -1.05 0.00 -1.01 0.00 0.00 177.57 176.26 1xs2 h ALA 271 N 1.61 0.28 -0.46 3.17 0.00 -1.95 0.22 119.26 122.13 1xs2 h ALA 271 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xs2 h ALA 271 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xs2 h ALA 271 CO -0.04 0.87 0.30 -0.09 0.00 0.00 0.00 179.25 180.29 1xs2 h ARG 272 N 0.17 0.60 -0.01 0.00 2.43 -1.75 -2.70 114.38 113.11 1xs2 h ARG 272 Ca -0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xs2 h ARG 272 Cb 1.71 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 1xs2 h ARG 272 CO 0.18 0.40 -0.23 1.33 -1.51 0.00 0.00 179.97 180.13 1xs2 n VAL 273 N -4.47 0.00 0.00 0.20 0.24 -1.14 -4.66 118.33 108.50 1xs2 n VAL 273 Ca 0.04 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1xs2 n VAL 273 Cb 0.05 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.33 1.18 0.00 7.63 0.00 -1.02 -4.68 105.19 109.63 1xs2 n GLY 274 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.41 0.02 0.23 -0.02 0.00 0.06 -4.12 105.19 99.96 1xs2 n GLY 275 Ca 0.00 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 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 0.84 -0.01 1.61 3.86 -1.90 -1.26 115.15 118.29 1xs2 h HIS 276 Ca 0.00 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1xs2 h HIS 276 Cb 0.00 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 1xs2 h HIS 276 CO 0.00 0.82 0.00 0.00 0.86 0.00 0.00 177.93 179.61 1xs2 h ALA 277 N 0.91 0.01 -0.35 2.45 0.00 -1.95 -0.29 119.26 120.03 1xs2 h ALA 277 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xs2 h ALA 277 Cb 0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xs2 h ALA 277 CO 0.02 -0.40 -0.01 1.49 0.00 0.00 0.00 179.25 180.35 1xs2 h GLU 278 N -0.15 0.55 -0.29 0.00 4.57 -1.86 -1.51 114.58 115.89 1xs2 h GLU 278 Ca 0.00 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1xs2 h GLU 278 Cb 0.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1xs2 h GLU 278 CO -0.00 0.58 0.11 0.77 -1.18 0.00 0.00 179.01 179.29 1xs2 h SER 279 N 0.53 0.40 -0.89 1.04 0.02 -0.88 -0.01 113.55 113.76 1xs2 h SER 279 Ca 0.11 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1xs2 h SER 279 Cb 0.35 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1xs2 h SER 279 CO 0.01 0.47 0.59 -0.09 -1.14 0.00 0.00 176.83 176.67 1xs2 h ARG 280 N 0.31 1.14 -0.55 3.45 2.43 -0.72 0.25 114.38 120.70 1xs2 h ARG 280 Ca 0.09 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1xs2 h ARG 280 Cb 0.20 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1xs2 h ARG 280 CO -0.01 0.76 0.25 0.00 -1.51 0.00 0.00 179.97 179.46 1xs2 h ARG 281 N 1.18 0.80 -0.36 0.20 3.08 -0.71 0.19 114.38 118.75 1xs2 h ARG 281 Ca 0.34 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1xs2 h ARG 281 Cb -0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1xs2 h ARG 281 CO -0.08 0.67 0.22 0.28 -1.07 0.00 0.00 179.97 179.99 1xs2 h VAL 282 N 0.74 1.06 -0.77 2.04 2.07 -0.22 -0.29 116.25 120.88 1xs2 h VAL 282 Ca 0.19 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1xs2 h VAL 282 Cb 0.15 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1xs2 h VAL 282 CO -0.02 0.08 0.45 -0.74 0.02 0.00 0.00 177.57 177.36 1xs2 h HIS 283 N 0.45 0.82 0.01 1.57 -0.00 -0.17 -1.35 115.15 116.48 1xs2 h HIS 283 Ca 0.14 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.32 1xs2 h HIS 283 Cb -0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1xs2 h HIS 283 CO -0.06 0.38 -0.92 -0.44 -0.00 0.00 0.00 177.93 176.89 1xs2 h ASP 284 N 0.80 0.35 -0.28 3.26 3.32 -0.33 -1.96 116.42 121.58 1xs2 h ASP 284 Ca 0.35 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1xs2 h ASP 284 Cb 0.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1xs2 h ASP 284 CO -0.20 1.10 0.08 0.58 -1.72 0.00 0.00 179.24 179.08 1xs2 h VAL 285 N 0.15 1.20 0.24 -1.35 2.07 -0.76 -0.58 116.25 117.22 1xs2 h VAL 285 Ca -0.06 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1xs2 h VAL 285 Cb 1.55 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1xs2 h VAL 285 CO 0.15 0.22 -0.30 0.00 0.02 0.00 0.00 177.57 177.66 1xs2 h ALA 286 N 0.91 -0.59 -0.98 1.67 0.00 -1.25 -1.78 119.26 117.24 1xs2 h ALA 286 Ca 0.09 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1xs2 h ALA 286 Cb 0.25 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1xs2 h ALA 286 CO -0.00 -0.87 0.55 0.37 0.00 0.00 0.00 179.25 179.30 1xs2 h GLN 287 N -0.59 0.56 0.00 0.00 4.15 -1.25 0.44 115.11 118.42 1xs2 h GLN 287 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1xs2 h GLN 287 Cb 0.56 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1xs2 h GLN 287 CO -0.09 0.37 -0.08 0.66 -1.93 0.00 0.00 178.83 177.75 1xs2 h SER 288 N 0.57 0.00 0.02 -0.69 4.64 -0.24 0.02 113.55 117.88 1xs2 h SER 288 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1xs2 h SER 288 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1xs2 h SER 288 CO -0.47 0.08 -0.04 0.49 -0.87 0.00 0.00 176.83 176.02 1xs2 n PHE 289 N -3.30 0.00 -1.62 4.77 3.01 0.04 -4.96 117.46 115.40 1xs2 n PHE 289 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.31 1xs2 n PHE 289 Cb 0.29 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.21 1.08 3.82 1.37 0.00 -0.01 -5.02 105.19 107.66 1xs2 n GLY 290 Ca 0.18 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.57 3.79 0.53 4.61 0.00 -0.56 -4.97 121.76 122.59 1xs2 s ALA 291 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 1xs2 s ALA 291 Cb 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 1xs2 s ALA 291 CO 0.00 0.44 0.99 -1.25 0.00 0.00 0.00 175.76 175.94 1xs2 s PRO 292 N -0.54 3.87 0.29 0.00 0.04 -1.26 -3.42 135.00 133.99 1xs2 s PRO 292 Ca 0.14 0.90 0.10 0.00 0.04 0.00 0.00 61.00 62.18 1xs2 s PRO 292 Cb -0.12 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1xs2 s PRO 292 CO 0.03 -0.33 -0.08 0.14 0.04 0.00 0.00 177.00 176.80 1xs2 s VAL 293 N -2.73 2.85 0.05 -0.36 -7.23 -0.88 -2.41 120.40 109.69 1xs2 s VAL 293 Ca 0.58 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1xs2 s VAL 293 Cb -0.10 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1xs2 s VAL 293 CO 0.36 -0.34 -0.03 -1.66 -0.31 0.00 0.00 175.10 173.12 1xs2 s TRP 294 N -2.45 0.53 -0.33 2.82 1.48 -0.89 -2.72 118.94 117.38 1xs2 s TRP 294 Ca 0.32 -1.07 -0.24 0.00 -1.06 0.00 0.00 56.10 54.04 1xs2 s TRP 294 Cb -0.04 -0.39 0.01 0.00 -1.16 0.00 0.00 33.47 31.88 1xs2 s TRP 294 CO 0.18 -0.39 0.82 0.00 -4.06 0.00 0.00 176.95 173.50 1xs2 s GLY 296 N 1.73 1.57 0.32 0.00 0.00 -0.69 -0.53 107.32 109.72 1xs2 s GLY 296 Ca 0.33 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.68 1xs2 s GLY 296 CO 0.15 -0.26 -0.01 -0.32 0.00 0.00 0.00 173.10 172.66 1xs2 s GLY 297 N -3.99 2.06 -0.40 0.20 0.00 -1.26 -4.71 107.32 99.23 1xs2 s GLY 297 Ca 0.48 -2.04 0.10 0.00 0.00 0.00 0.00 44.72 43.26 1xs2 s GLY 297 CO 0.44 -1.90 1.15 -0.13 0.00 0.00 0.00 173.10 172.66 1xs2 n MET 298 N -0.70 1.12 -3.78 2.90 1.56 -1.26 -5.01 117.12 111.94 1xs2 n MET 298 Ca -0.04 -2.30 -0.27 0.00 -0.27 0.00 0.00 57.70 54.82 1xs2 n MET 298 Cb 0.65 -0.71 0.05 0.00 2.15 0.00 0.00 33.22 35.36 1xs2 n MET 298 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1xs2 n LEU 299 N -0.15 -2.93 -4.78 -0.89 4.32 -1.26 -4.88 117.00 106.42 1xs2 n LEU 299 Ca 0.05 -0.69 -0.37 0.00 -0.02 0.00 0.00 56.01 54.98 1xs2 n LEU 299 Cb 0.79 -2.76 -0.03 0.00 -1.62 0.00 0.00 43.42 39.80 1xs2 n LEU 299 CO 0.05 0.54 0.77 -1.61 -1.22 0.00 0.00 177.39 175.92 1xs2 s GLU 300 N -6.45 3.99 1.07 3.23 8.01 -1.26 -5.05 118.70 122.24 1xs2 s GLU 300 Ca 0.59 1.61 -0.18 0.00 0.01 0.00 0.00 54.97 57.01 1xs2 s GLU 300 Cb -0.28 -2.47 0.27 0.00 -4.31 0.00 0.00 34.13 27.33 1xs2 s GLU 300 CO 0.79 -0.31 0.76 -1.13 0.01 0.00 0.00 175.26 175.38 1xs2 n SER 301 N -0.26 -2.84 0.28 -0.19 3.41 -1.26 -4.59 113.62 108.17 1xs2 n SER 301 Ca 0.06 -0.85 0.19 0.00 -0.26 0.00 0.00 58.87 58.01 1xs2 n SER 301 Cb 0.49 -0.78 0.84 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.68 0.00 0.65 5.00 0.00 -1.96 -0.21 103.07 103.86 1xs2 h GLY 302 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1xs2 h GLY 302 CO 0.20 0.00 -0.31 -2.22 0.00 0.00 0.00 176.54 174.21 1xs2 h ILE 303 N 0.00 0.00 -0.55 2.60 1.08 -1.94 -1.07 117.51 117.62 1xs2 h ILE 303 Ca 0.00 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1xs2 h ILE 303 Cb 0.33 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.04 1xs2 h ILE 303 CO 0.00 0.00 0.30 1.23 -0.69 0.00 0.00 178.15 178.99 1xs2 h GLY 304 N -1.15 0.79 1.00 5.37 0.00 -1.83 -2.17 103.07 105.07 1xs2 h GLY 304 Ca -0.09 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1xs2 h GLY 304 CO 0.15 0.14 0.59 -0.09 0.00 0.00 0.00 176.54 177.32 1xs2 h ARG 305 N 0.57 1.08 -0.25 4.80 2.43 -1.09 -1.03 114.38 120.89 1xs2 h ARG 305 Ca 0.24 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1xs2 h ARG 305 Cb 0.12 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1xs2 h ARG 305 CO -0.15 0.72 -0.29 0.00 -1.51 0.00 0.00 179.97 178.74 1xs2 h ALA 306 N 1.48 0.37 -0.50 2.80 0.00 -0.84 -1.23 119.26 121.33 1xs2 h ALA 306 Ca 0.36 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xs2 h ALA 306 Cb 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1xs2 h ALA 306 CO -0.11 0.38 0.23 0.45 0.00 0.00 0.00 179.25 180.20 1xs2 h HIS 307 N 0.34 0.41 -0.75 0.00 3.86 -0.98 -1.60 115.15 116.44 1xs2 h HIS 307 Ca 0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1xs2 h HIS 307 Cb 0.86 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 1xs2 h HIS 307 CO 0.08 0.18 0.40 -0.91 0.86 0.00 0.00 177.93 178.54 1xs2 h ASN 308 N 0.45 0.95 -0.40 2.45 2.35 -0.98 -1.73 115.58 118.67 1xs2 h ASN 308 Ca 0.23 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1xs2 h ASN 308 Cb 0.17 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1xs2 h ASN 308 CO -0.18 0.79 0.10 0.40 -1.65 0.00 0.00 177.43 176.89 1xs2 h ILE 309 N 1.04 1.23 -0.48 2.81 2.04 -0.75 -1.20 117.51 122.20 1xs2 h ILE 309 Ca 0.26 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1xs2 h ILE 309 Cb 0.06 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1xs2 h ILE 309 CO -0.04 0.27 0.30 0.45 0.00 0.00 0.00 178.15 179.12 1xs2 h HIS 310 N 0.50 0.63 -0.70 1.37 3.86 -1.10 -2.35 115.15 117.37 1xs2 h HIS 310 Ca 0.13 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1xs2 h HIS 310 Cb 0.30 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1xs2 h HIS 310 CO 0.02 0.43 0.46 1.25 0.86 0.00 0.00 177.93 180.95 1xs2 h LEU 311 N 0.65 0.70 -0.50 2.43 5.85 -1.20 -2.80 115.31 120.44 1xs2 h LEU 311 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xs2 h LEU 311 Cb -0.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1xs2 h LEU 311 CO -0.03 0.48 0.00 -1.20 -0.34 0.00 0.00 178.44 177.35 1xs2 n SER 312 N -4.46 0.41 0.08 1.25 7.64 -0.47 -2.26 113.62 115.81 1xs2 n SER 312 Ca 0.09 0.61 0.09 0.00 1.01 0.00 0.00 58.87 60.67 1xs2 n SER 312 Cb 0.14 -0.70 0.40 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.97 1.00 -2.14 0.44 -2.24 -1.05 -4.72 114.28 103.60 1xs2 n THR 313 Ca 0.02 0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 61.75 1xs2 n THR 313 Cb 0.18 -1.18 0.02 0.00 -2.10 0.00 0.00 70.33 67.25 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 -3.83 3.71 0.37 3.22 1.02 -0.96 -3.64 118.68 118.58 1xs2 s LEU 314 Ca 0.04 2.29 0.15 0.00 0.02 0.00 0.00 54.13 56.63 1xs2 s LEU 314 Cb 0.08 -4.58 0.74 0.00 0.02 0.00 0.00 46.19 42.45 1xs2 s LEU 314 CO 0.30 -1.40 1.81 0.77 0.02 0.00 0.00 176.35 177.85 1xs2 h SER 315 N 1.07 0.00 -0.17 2.29 4.64 -1.88 -2.44 113.55 117.06 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 0.56 0.38 0.00 -3.20 -0.87 0.00 0.00 176.83 173.70 1xs2 n ASN 316 N -3.91 1.19 -4.34 4.97 4.05 -1.26 -4.34 115.26 111.61 1xs2 n ASN 316 Ca -0.01 -1.79 -0.43 0.00 0.45 0.00 0.00 54.58 52.80 1xs2 n ASN 316 Cb 0.43 -0.11 0.00 0.00 1.23 0.00 0.00 39.78 41.33 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 0.06 4.41 -0.33 1.20 3.01 -0.92 -2.07 117.46 122.82 1xs2 n PHE 317 Ca 0.12 -3.02 0.09 0.00 1.01 0.00 0.00 57.45 55.66 1xs2 n PHE 317 Cb 0.22 -2.41 0.27 0.00 -0.01 0.00 0.00 39.48 37.55 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 6.72 2.85 -4.27 -1.08 1.74 -1.10 -4.86 116.66 116.66 1xs2 n ARG 318 Ca 0.45 -2.48 -0.23 0.00 -0.77 0.00 0.00 57.85 54.82 1xs2 n ARG 318 Cb 0.43 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.08 2.30 0.64 0.55 1.43 -1.24 -5.05 118.68 116.24 1xs2 s LEU 319 Ca 0.40 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1xs2 s LEU 319 Cb 0.22 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1xs2 s LEU 319 CO 0.27 0.03 1.20 -2.84 0.23 0.00 0.00 176.35 175.24 1xs2 s PRO 320 N -1.89 2.68 0.39 1.29 0.02 -1.26 -4.52 135.00 131.71 1xs2 s PRO 320 Ca 0.05 1.78 0.08 0.00 0.02 0.00 0.00 61.00 62.93 1xs2 s PRO 320 Cb -0.10 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1xs2 s PRO 320 CO 0.04 -1.43 0.18 0.20 -0.33 0.00 0.00 177.00 175.67 1xs2 s GLY 321 N -1.80 2.19 -1.27 0.52 0.00 -0.59 -4.53 107.32 101.84 1xs2 s GLY 321 Ca 0.76 -2.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.39 1xs2 s GLY 321 CO 0.38 -1.85 1.85 1.22 0.00 0.00 0.00 173.10 174.70 1xs2 n ASP 322 N -1.23 5.18 -2.70 1.64 8.00 0.32 -1.59 116.55 126.16 1xs2 n ASP 322 Ca -0.01 -3.13 -0.24 0.00 0.71 0.00 0.00 54.79 52.12 1xs2 n ASP 322 Cb 0.63 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.26 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 3.17 2.15 -1.58 -3.53 -2.24 -1.26 -4.29 114.28 106.70 1xs2 n THR 323 Ca 0.39 -4.83 -0.30 0.00 -2.27 0.00 0.00 64.05 57.05 1xs2 n THR 323 Cb 0.36 -0.94 0.19 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.36 2.61 0.25 3.42 1.04 -1.26 -4.84 113.70 111.56 1xs2 s SER 324 Ca 0.45 0.57 -0.31 0.00 0.48 0.00 0.00 55.95 57.14 1xs2 s SER 324 Cb 0.37 -0.82 -0.13 0.00 0.10 0.00 0.00 66.02 65.54 1xs2 s SER 324 CO -0.13 -3.07 1.40 -1.20 0.98 0.00 0.00 173.24 171.22 1xs2 n SER 325 N -4.05 2.82 0.21 7.02 7.64 -1.26 -4.89 113.62 121.12 1xs2 n SER 325 Ca 0.12 1.15 0.06 0.00 1.01 0.00 0.00 58.87 61.21 1xs2 n SER 325 Cb 0.59 -1.44 0.47 0.00 -1.01 0.00 0.00 64.21 62.82 1xs2 n SER 325 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xs2 h ALA 326 N 4.06 1.43 0.00 -0.43 0.00 -1.65 -2.25 119.26 120.41 1xs2 h ALA 326 Ca -0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1xs2 h ALA 326 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xs2 h ALA 326 CO 0.74 0.33 -0.04 0.66 0.00 0.00 0.00 179.25 180.94 1xs2 h SER 327 N 0.00 0.00 0.70 0.00 4.64 -1.81 -1.23 113.55 115.85 1xs2 h SER 327 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xs2 h SER 327 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xs2 h SER 327 CO 0.03 0.04 0.00 0.03 -0.87 0.00 0.00 176.83 176.07 1xs2 h ARG 328 N 0.00 0.00 0.00 4.77 3.08 -1.77 -3.33 114.38 117.13 1xs2 h ARG 328 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1xs2 h ARG 328 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1xs2 h ARG 328 CO 0.01 0.00 -1.64 0.66 -1.07 0.00 0.00 179.97 177.92 1xs2 n TYR 329 N -2.73 0.00 -4.59 3.04 4.02 -0.55 -4.78 117.16 111.57 1xs2 n TYR 329 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1xs2 n TYR 329 Cb 0.23 -0.44 -0.16 0.00 -0.02 0.00 0.00 39.34 38.94 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 -2.23 1.42 0.29 -0.72 0.52 -0.70 -0.83 118.94 116.69 1xs2 s TRP 330 Ca -0.11 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.53 1xs2 s TRP 330 Cb 0.03 -1.03 0.56 0.00 -1.15 0.00 0.00 33.47 31.88 1xs2 s TRP 330 CO 0.31 -0.24 1.86 1.49 0.02 0.00 0.00 176.95 180.39 1xs2 h GLU 331 N 6.82 0.97 -2.78 4.98 4.57 -1.75 -3.41 114.58 123.98 1xs2 h GLU 331 Ca -0.31 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 57.67 1xs2 h GLU 331 Cb 1.18 -0.22 -0.26 0.00 -0.16 0.00 0.00 28.75 29.29 1xs2 h GLU 331 CO 0.48 0.64 -0.33 0.50 -1.18 0.00 0.00 179.01 179.12 1xs2 s ARG 332 N -5.93 0.37 0.44 1.92 3.52 -1.26 -5.05 118.95 112.96 1xs2 s ARG 332 Ca -0.12 0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 56.11 1xs2 s ARG 332 Cb 0.21 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1xs2 s ARG 332 CO 0.81 -0.12 0.70 0.34 -0.81 0.00 0.00 175.30 176.21 1xs2 s ASP 333 N 0.97 6.19 -0.11 -2.12 -1.08 -1.26 -4.89 116.67 114.37 1xs2 s ASP 333 Ca -0.06 0.68 0.12 0.00 -0.52 0.00 0.00 52.55 52.77 1xs2 s ASP 333 Cb -0.07 -2.07 0.54 0.00 -1.46 0.00 0.00 42.92 39.87 1xs2 s ASP 333 CO -0.08 -0.52 1.39 0.00 0.52 0.00 0.00 175.17 176.48 1xs2 n LEU 334 N -2.10 3.79 -4.51 -1.34 -0.00 -1.26 -4.84 117.00 106.75 1xs2 n LEU 334 Ca -0.01 -1.91 -0.24 0.00 -0.00 0.00 0.00 56.01 53.85 1xs2 n LEU 334 Cb 0.56 -0.53 -0.10 0.00 -0.00 0.00 0.00 43.42 43.36 1xs2 n LEU 334 CO 0.51 0.59 -0.44 0.27 -0.00 0.00 0.00 177.39 178.32 1xs2 s ILE 335 N -1.89 2.62 -0.08 1.47 -4.36 -1.26 -1.70 121.20 115.99 1xs2 s ILE 335 Ca 0.37 -2.30 0.14 0.00 -0.26 0.00 0.00 60.65 58.60 1xs2 s ILE 335 Cb 0.25 -2.43 0.03 0.00 1.25 0.00 0.00 42.46 41.56 1xs2 s ILE 335 CO 0.16 -0.37 1.44 1.56 0.24 0.00 0.00 174.94 177.97 1xs2 h GLN 336 N 2.18 0.00 -5.65 0.37 4.20 -1.34 -3.44 115.11 111.43 1xs2 h GLN 336 Ca -0.41 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.71 1xs2 h GLN 336 Cb 1.26 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.95 1xs2 h GLN 336 CO 0.61 0.57 -0.26 -1.21 -0.67 0.00 0.00 178.83 177.87 1xs2 s GLU 337 N -2.98 4.19 -0.01 1.46 8.01 -1.26 -5.06 118.70 123.05 1xs2 s GLU 337 Ca 0.03 0.24 -0.30 0.00 0.01 0.00 0.00 54.97 54.95 1xs2 s GLU 337 Cb 0.08 -3.38 -0.03 0.00 -4.31 0.00 0.00 34.13 26.49 1xs2 s GLU 337 CO 0.75 0.32 0.97 -1.25 0.01 0.00 0.00 175.26 176.06 1xs2 s PRO 338 N 0.18 4.54 -0.62 0.39 0.04 -1.26 -5.00 135.00 133.27 1xs2 s PRO 338 Ca 0.20 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1xs2 s PRO 338 Cb -0.14 -3.47 0.16 0.00 0.04 0.00 0.00 34.50 31.09 1xs2 s PRO 338 CO 0.07 -0.06 0.56 -0.51 0.04 0.00 0.00 177.00 177.10 1xs2 s LEU 339 N 1.08 6.28 -0.15 -3.56 1.43 -1.26 -5.03 118.68 117.47 1xs2 s LEU 339 Ca 0.51 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1xs2 s LEU 339 Cb -0.21 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.87 1xs2 s LEU 339 CO 0.27 -0.74 -0.10 -1.61 0.23 0.00 0.00 176.35 174.40 1xs2 s GLU 340 N 1.10 1.88 0.42 1.70 0.41 -1.26 -1.56 118.70 121.38 1xs2 s GLU 340 Ca 0.08 -0.53 -0.22 0.00 -0.41 0.00 0.00 54.97 53.89 1xs2 s GLU 340 Cb -0.23 -2.02 -0.10 0.00 -1.78 0.00 0.00 34.13 30.00 1xs2 s GLU 340 CO -0.01 -0.32 0.98 0.00 -0.49 0.00 0.00 175.26 175.42 1xs2 s ALA 341 N 1.56 3.03 -0.05 5.21 0.00 -1.26 -4.61 121.76 125.64 1xs2 s ALA 341 Ca 0.03 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1xs2 s ALA 341 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1xs2 s ALA 341 CO -0.09 -0.00 -0.04 0.08 0.00 0.00 0.00 175.76 175.71 1xs2 s VAL 342 N -1.99 0.53 -1.46 0.00 1.01 -0.63 -4.81 120.40 113.06 1xs2 s VAL 342 Ca 0.61 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 1xs2 s VAL 342 Cb -0.14 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1xs2 s VAL 342 CO 0.18 0.24 0.77 -0.67 0.00 0.00 0.00 175.10 175.62 1xs2 n ASP 343 N 4.26 -5.23 -0.43 3.32 2.03 -1.25 -1.63 116.55 117.61 1xs2 n ASP 343 Ca -0.21 -0.48 -0.06 0.00 0.52 0.00 0.00 54.79 54.55 1xs2 n ASP 343 Cb 0.51 -4.21 -0.02 0.00 -0.72 0.00 0.00 41.12 36.67 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 0.81 3.02 0.27 0.00 -1.20 -4.71 105.19 101.82 1xs2 n GLY 344 Ca -0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.29 1.66 -0.26 0.99 1.43 -0.65 -1.66 118.68 118.90 1xs2 s LEU 345 Ca 0.00 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 1xs2 s LEU 345 Cb 0.00 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1xs2 s LEU 345 CO 0.00 -0.05 0.40 -0.32 0.23 0.00 0.00 176.35 176.61 1xs2 s MET 346 N 1.42 4.05 0.29 1.70 -2.45 -0.23 -1.60 119.30 122.48 1xs2 s MET 346 Ca 0.03 0.11 -0.29 0.00 -1.25 0.00 0.00 55.69 54.29 1xs2 s MET 346 Cb -0.13 -3.64 -0.10 0.00 1.25 0.00 0.00 34.83 32.22 1xs2 s MET 346 CO -0.09 -0.25 1.26 -1.25 1.05 0.00 0.00 175.02 175.74 1xs2 s PRO 347 N 1.98 4.43 -0.02 4.11 0.04 -1.26 -1.07 135.00 143.21 1xs2 s PRO 347 Ca 0.16 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1xs2 s PRO 347 Cb -0.16 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1xs2 s PRO 347 CO 0.09 -0.10 1.47 0.08 0.04 0.00 0.00 177.00 178.58 1xs2 s VAL 348 N -0.90 3.68 0.21 -0.36 1.01 -0.84 -4.93 120.40 118.25 1xs2 s VAL 348 Ca 0.49 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.16 1xs2 s VAL 348 Cb -0.37 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 1xs2 s VAL 348 CO 0.47 -0.03 1.53 -2.16 0.00 0.00 0.00 175.10 174.91 1xs2 s PRO 349 N 2.92 4.22 0.48 2.72 0.04 -1.26 -4.95 135.00 139.17 1xs2 s PRO 349 Ca 0.66 2.36 -0.20 0.00 0.04 0.00 0.00 61.00 63.86 1xs2 s PRO 349 Cb -0.32 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 1xs2 s PRO 349 CO 0.26 -0.55 1.03 -0.65 0.04 0.00 0.00 177.00 177.14 1xs2 s GLN 350 N 0.47 3.82 0.00 4.56 1.11 -1.26 -4.46 119.66 123.90 1xs2 s GLN 350 Ca 0.66 1.34 0.00 0.00 0.01 0.00 0.00 55.36 57.37 1xs2 s GLN 350 Cb -0.44 -2.10 0.00 0.00 -1.01 0.00 0.00 33.01 29.47 1xs2 s GLN 350 CO 0.37 -0.41 0.00 0.41 0.01 0.00 0.00 175.29 175.67 1xs2 n GLY 351 N -0.29 1.50 3.80 3.09 0.00 -1.26 -4.49 105.19 107.54 1xs2 n GLY 351 Ca 0.09 -2.25 -0.33 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 -1.39 3.48 5.61 1.61 0.04 -1.26 -3.95 135.00 139.14 1xs2 s PRO 352 Ca 0.00 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.35 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 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1xs2 n GLY 353 N -0.60 3.32 0.26 0.56 0.00 -0.77 -1.66 105.19 106.30 1xs2 n GLY 353 Ca 0.09 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.01 2.61 1.35 -1.86 -1.71 112.91 113.30 1xs2 h THR 354 Ca 0.00 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1xs2 h THR 354 Cb 0.00 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 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 0.05 0.46 3.33 5.82 0.00 -0.66 -4.67 105.19 109.52 1xs2 n GLY 355 Ca 0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.91 1.19 -0.05 1.61 -7.23 -1.26 -4.36 120.40 108.39 1xs2 s VAL 356 Ca 0.00 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.09 1xs2 s VAL 356 Cb 0.00 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.73 1xs2 s VAL 356 CO 0.00 -0.42 0.10 -0.89 -0.31 0.00 0.00 175.10 173.58 1xs2 s THR 357 N -3.31 -0.13 0.24 5.32 2.01 -1.26 -5.04 115.64 113.47 1xs2 s THR 357 Ca 0.26 0.32 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 1xs2 s THR 357 Cb 0.04 -0.19 -0.13 0.00 0.01 0.00 0.00 72.50 72.23 1xs2 s THR 357 CO 0.08 0.13 1.46 0.18 -0.69 0.00 0.00 174.62 175.78 1xs2 n LEU 358 N 4.88 3.37 -4.48 4.42 4.77 -1.26 -0.96 117.00 127.73 1xs2 n LEU 358 Ca -0.13 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.56 1xs2 n LEU 358 Cb 0.50 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1xs2 n LEU 358 CO 0.11 -0.33 1.03 -0.62 -1.33 0.00 0.00 177.39 176.25 1xs2 s ASP 359 N 0.40 6.43 0.29 -1.43 3.68 -0.69 -4.72 116.67 120.63 1xs2 s ASP 359 Ca 0.68 -1.49 -0.02 0.00 2.13 0.00 0.00 52.55 53.85 1xs2 s ASP 359 Cb -0.62 -2.45 0.42 0.00 -1.45 0.00 0.00 42.92 38.82 1xs2 s ASP 359 CO 0.48 -1.33 1.92 0.03 0.13 0.00 0.00 175.17 176.41 1xs2 h ARG 360 N 9.34 1.03 0.08 4.34 2.47 -1.91 0.32 114.38 130.04 1xs2 h ARG 360 Ca 0.00 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1xs2 h ARG 360 Cb 1.04 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1xs2 h ARG 360 CO 1.21 0.74 -0.04 0.93 0.56 0.00 0.00 179.97 183.36 1xs2 h GLU 361 N 1.04 -0.11 -0.30 0.04 5.08 -1.99 -1.31 114.58 117.04 1xs2 h GLU 361 Ca 0.27 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1xs2 h GLU 361 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xs2 h GLU 361 CO -0.05 0.14 0.12 0.35 -1.00 0.00 0.00 179.01 178.57 1xs2 h PHE 362 N -0.35 0.45 -0.80 4.33 3.57 -1.91 -2.71 116.94 119.52 1xs2 h PHE 362 Ca -0.01 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.62 1xs2 h PHE 362 Cb 0.30 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1xs2 h PHE 362 CO 0.00 0.43 0.32 1.25 -2.23 0.00 0.00 178.31 178.08 1xs2 h LEU 363 N 0.33 0.28 -1.22 0.59 5.85 -0.85 -1.93 115.31 118.36 1xs2 h LEU 363 Ca 0.10 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1xs2 h LEU 363 Cb 0.17 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1xs2 h LEU 363 CO -0.01 0.07 0.56 0.00 -0.34 0.00 0.00 178.44 178.73 1xs2 h ALA 364 N 1.59 1.61 0.00 1.25 0.00 -0.91 0.38 119.26 123.18 1xs2 h ALA 364 Ca 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1xs2 h ALA 364 Cb 0.74 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xs2 h ALA 364 CO -0.44 0.24 -0.01 1.79 0.00 0.00 0.00 179.25 180.83 1xs2 h THR 365 N 0.91 0.03 -0.07 0.00 1.35 -1.28 -3.18 112.91 110.68 1xs2 h THR 365 Ca 0.39 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1xs2 h THR 365 Cb 0.31 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1xs2 h THR 365 CO -0.15 0.01 -0.24 1.33 -0.25 0.00 0.00 175.52 176.22 1xs2 n VAL 366 N -3.11 2.16 -3.19 6.82 0.24 0.09 -5.01 118.33 116.33 1xs2 n VAL 366 Ca -0.00 -2.76 -0.42 0.00 -2.04 0.00 0.00 64.34 59.12 1xs2 n VAL 366 Cb 0.25 -0.25 -0.07 0.00 -1.47 0.00 0.00 33.84 32.29 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 -3.09 4.95 0.13 3.34 2.01 -0.99 -0.52 115.64 121.47 1xs2 s THR 367 Ca 0.37 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1xs2 s THR 367 Cb 0.34 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1xs2 s THR 367 CO -0.02 -0.36 1.47 -0.33 -0.69 0.00 0.00 174.62 174.70 1xs2 h GLU 368 N 8.60 0.86 -1.86 4.92 5.08 -1.34 -3.48 114.58 127.35 1xs2 h GLU 368 Ca -0.27 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.64 1xs2 h GLU 368 Cb 1.11 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.16 1xs2 h GLU 368 CO 0.82 1.08 0.29 0.00 -1.00 0.00 0.00 179.01 180.20 1xs2 s ALA 369 N -4.44 -1.83 0.02 3.43 0.00 -1.07 -5.02 121.76 112.85 1xs2 s ALA 369 Ca -0.12 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 1xs2 s ALA 369 Cb 0.10 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1xs2 s ALA 369 CO 0.86 -0.34 0.12 1.14 0.00 0.00 0.00 175.76 177.54 1xs2 s GLN 370 N -0.82 0.55 0.02 0.00 -2.07 -1.26 -0.54 119.66 115.55 1xs2 s GLN 370 Ca -0.06 -0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 52.79 1xs2 s GLN 370 Cb -0.01 0.22 0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1xs2 s GLN 370 CO 0.05 -0.14 0.23 -1.83 -1.32 0.00 0.00 175.29 172.29 1xs2 s GLU 371 N -2.04 0.68 -0.08 9.60 -1.05 -0.24 -5.00 118.70 120.58 1xs2 s GLU 371 Ca -0.10 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 54.28 1xs2 s GLU 371 Cb -0.04 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1xs2 s GLU 371 CO -0.02 -0.19 -0.19 -2.00 0.95 0.00 0.00 175.26 173.81 1xs2 s GLU 372 N -2.12 2.34 0.14 -4.83 2.12 -1.26 -1.80 118.70 113.28 1xs2 s GLU 372 Ca -0.08 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 54.67 1xs2 s GLU 372 Cb -0.03 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 1xs2 s GLU 372 CO -0.01 0.15 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.64 1xs2 s HIS 373 N 0.37 2.43 0.35 5.30 3.76 0.48 -4.98 115.29 123.01 1xs2 s HIS 373 Ca -0.14 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1xs2 s HIS 373 Cb -0.16 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 1xs2 s HIS 373 CO 0.06 0.40 0.23 1.03 -0.85 0.00 0.00 174.74 175.61 1xs2 s ARG 374 N -2.25 1.81 0.00 1.40 0.52 -1.26 -1.91 118.95 117.25 1xs2 s ARG 374 Ca 0.18 -2.07 0.02 0.00 -0.52 0.00 0.00 55.73 53.34 1xs2 s ARG 374 Cb -0.10 0.04 0.12 0.00 0.52 0.00 0.00 34.95 35.53 1xs2 s ARG 374 CO 0.09 -0.60 0.61 0.00 0.02 0.00 0.00 175.30 175.42