#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 2.78 0.05 2.89 -1.94 -1.26 -5.00 119.30 116.81 1xs2 s MET 7 Ca 0.00 1.33 0.03 0.00 -1.71 0.00 0.00 55.69 55.34 1xs2 s MET 7 Cb 0.00 -1.95 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 1xs2 s MET 7 CO 0.00 -1.25 -0.11 -0.59 -0.01 0.00 0.00 175.02 173.06 1xs2 s PHE 8 N -2.45 0.91 -0.17 -0.03 -0.12 0.04 -4.94 117.98 111.22 1xs2 s PHE 8 Ca 0.65 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 1xs2 s PHE 8 Cb -0.19 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.66 1xs2 s PHE 8 CO 0.43 -0.01 -0.16 0.21 -0.05 0.00 0.00 175.22 175.64 1xs2 s LYS 9 N -1.43 3.17 -0.49 1.99 2.20 -1.26 -0.43 119.74 123.48 1xs2 s LYS 9 Ca -0.05 -0.76 -0.26 0.00 -0.36 0.00 0.00 55.97 54.54 1xs2 s LYS 9 Cb -0.09 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 1xs2 s LYS 9 CO 0.01 -0.06 0.99 0.42 -0.36 0.00 0.00 175.35 176.36 1xs2 s ILE 10 N 0.99 4.36 -0.11 5.43 1.01 -0.89 -4.06 121.20 127.94 1xs2 s ILE 10 Ca -0.02 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.34 1xs2 s ILE 10 Cb -0.15 -4.51 -0.26 0.00 0.01 0.00 0.00 42.46 37.55 1xs2 s ILE 10 CO -0.03 -0.96 0.41 -0.33 0.00 0.00 0.00 174.94 174.03 1xs2 h GLU 11 N 9.19 0.26 -3.87 2.79 5.08 -1.39 0.34 114.58 126.98 1xs2 h GLU 11 Ca -0.24 -0.45 -0.10 0.00 -1.00 0.00 0.00 59.36 57.57 1xs2 h GLU 11 Cb 1.07 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 1xs2 h GLU 11 CO 1.07 1.18 -0.32 0.00 -1.00 0.00 0.00 179.01 179.95 1xs2 s ALA 12 N -2.56 -0.02 -0.09 3.43 0.00 -1.18 -4.21 121.76 117.13 1xs2 s ALA 12 Ca -0.21 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1xs2 s ALA 12 Cb 0.07 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.07 1xs2 s ALA 12 CO 0.78 -0.65 0.24 0.00 0.00 0.00 0.00 175.76 176.13 1xs2 s ALA 13 N -3.96 -0.57 -0.06 0.00 0.00 -0.76 -0.90 121.76 115.50 1xs2 s ALA 13 Ca 0.17 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1xs2 s ALA 13 Cb 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1xs2 s ALA 13 CO -0.00 -0.14 -0.10 -1.21 0.00 0.00 0.00 175.76 174.31 1xs2 s GLU 14 N 0.49 2.67 -0.26 0.00 2.02 -0.49 -0.78 118.70 122.36 1xs2 s GLU 14 Ca -0.03 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 1xs2 s GLU 14 Cb -0.04 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 1xs2 s GLU 14 CO -0.03 0.64 0.06 0.42 0.02 0.00 0.00 175.26 176.37 1xs2 s ILE 15 N -0.76 4.13 -0.19 -1.63 1.01 -0.81 -1.40 121.20 121.57 1xs2 s ILE 15 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1xs2 s ILE 15 Cb -0.11 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1xs2 s ILE 15 CO 0.01 0.30 -0.09 -0.69 0.00 0.00 0.00 174.94 174.47 1xs2 s VAL 16 N 1.58 1.47 -0.24 2.92 1.01 -0.37 -1.67 120.40 125.10 1xs2 s VAL 16 Ca 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1xs2 s VAL 16 Cb -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1xs2 s VAL 16 CO 0.03 0.17 0.14 -0.69 0.00 0.00 0.00 175.10 174.74 1xs2 s VAL 17 N 1.48 5.08 0.17 2.92 1.01 -0.58 -0.65 120.40 129.82 1xs2 s VAL 17 Ca -0.00 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1xs2 s VAL 17 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1xs2 s VAL 17 CO -0.08 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.24 1xs2 s ALA 18 N 1.23 2.88 -0.16 5.51 0.00 -0.29 -1.11 121.76 129.82 1xs2 s ALA 18 Ca 0.06 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1xs2 s ALA 18 Cb -0.14 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1xs2 s ALA 18 CO 0.05 0.48 -0.18 0.50 0.00 0.00 0.00 175.76 176.62 1xs2 s ARG 19 N -2.72 3.11 -0.15 0.00 3.52 -0.11 -0.37 118.95 122.23 1xs2 s ARG 19 Ca 0.24 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 1xs2 s ARG 19 Cb -0.09 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 1xs2 s ARG 19 CO 0.14 -0.07 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.19 1xs2 s LEU 20 N 0.99 2.16 0.31 -0.88 2.96 -0.14 -4.79 118.68 119.28 1xs2 s LEU 20 Ca -0.02 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.00 1xs2 s LEU 20 Cb -0.15 -1.46 -0.10 0.00 0.50 0.00 0.00 46.19 44.98 1xs2 s LEU 20 CO -0.04 0.07 1.16 -2.16 -1.32 0.00 0.00 176.35 174.05 1xs2 s PRO 21 N 0.90 4.49 0.00 0.98 0.04 -1.26 -1.64 135.00 138.51 1xs2 s PRO 21 Ca -0.05 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1xs2 s PRO 21 Cb -0.15 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1xs2 s PRO 21 CO -0.04 0.05 0.00 1.28 0.04 0.00 0.00 177.00 178.33 1xs2 n LEU 22 N 0.93 0.00 -2.70 -3.56 4.32 -1.26 -4.55 117.00 110.17 1xs2 n LEU 22 Ca -0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 1xs2 n LEU 22 Cb 0.44 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.34 1xs2 n LEU 22 CO 0.55 -0.48 0.47 2.29 -1.22 0.00 0.00 177.39 179.00 1xs2 n LYS 23 N -0.96 0.89 -0.00 3.23 2.85 -1.17 -4.77 118.16 118.23 1xs2 n LYS 23 Ca 0.00 -1.62 -0.17 0.00 -1.05 0.00 0.00 58.31 55.47 1xs2 n LYS 23 Cb 0.00 -0.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.74 1xs2 n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xs2 h THR 34 N 2.10 0.73 -4.33 0.58 1.03 -2.01 -3.51 112.91 107.49 1xs2 h THR 34 Ca -0.23 -2.49 -0.18 0.00 -0.01 0.00 0.00 66.41 63.50 1xs2 h THR 34 Cb 1.19 2.49 -0.14 0.00 -1.07 0.00 0.00 68.15 70.63 1xs2 h THR 34 CO 0.02 0.75 -0.53 -1.00 -0.01 0.00 0.00 175.52 174.75 1xs2 s HIS 35 N -2.58 0.86 -0.07 0.00 0.09 -1.26 -4.60 115.29 107.73 1xs2 s HIS 35 Ca -0.15 -1.17 -0.05 0.00 -0.00 0.00 0.00 55.06 53.69 1xs2 s HIS 35 Cb 0.07 -0.37 0.03 0.00 -0.00 0.00 0.00 32.58 32.30 1xs2 s HIS 35 CO 0.79 -0.65 0.18 0.21 -0.00 0.00 0.00 174.74 175.27 1xs2 s LYS 36 N -4.08 0.18 -0.16 1.40 2.47 -0.65 -4.88 119.74 114.02 1xs2 s LYS 36 Ca 0.29 0.32 -0.16 0.00 -1.56 0.00 0.00 55.97 54.86 1xs2 s LYS 36 Cb 0.06 0.01 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 1xs2 s LYS 36 CO 0.07 -0.08 0.40 0.08 0.16 0.00 0.00 175.35 175.98 1xs2 s VAL 37 N 0.51 5.23 -0.33 4.02 1.01 -1.26 -0.97 120.40 128.61 1xs2 s VAL 37 Ca -0.03 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1xs2 s VAL 37 Cb -0.05 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1xs2 s VAL 37 CO -0.03 0.32 0.05 -0.69 0.00 0.00 0.00 175.10 174.75 1xs2 s VAL 38 N 0.81 2.76 -0.16 2.92 1.01 0.50 -4.97 120.40 123.28 1xs2 s VAL 38 Ca 0.21 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.06 1xs2 s VAL 38 Cb -0.14 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 1xs2 s VAL 38 CO 0.07 -0.37 1.03 -2.84 0.00 0.00 0.00 175.10 172.99 1xs2 s PRO 39 N 1.11 4.35 -0.06 2.72 0.02 -1.26 -1.14 135.00 140.74 1xs2 s PRO 39 Ca 0.02 1.39 0.03 0.00 0.02 0.00 0.00 61.00 62.45 1xs2 s PRO 39 Cb -0.20 -3.59 -0.02 0.00 0.02 0.00 0.00 34.50 30.71 1xs2 s PRO 39 CO -0.04 -0.45 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.52 1xs2 s LEU 40 N 2.53 2.68 -0.14 -5.54 1.43 0.17 0.59 118.68 120.40 1xs2 s LEU 40 Ca 0.47 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1xs2 s LEU 40 Cb -0.17 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1xs2 s LEU 40 CO 0.13 0.31 -0.14 -0.22 0.23 0.00 0.00 176.35 176.66 1xs2 s LEU 41 N -0.54 2.60 -0.19 1.79 2.96 0.05 -1.23 118.68 124.11 1xs2 s LEU 41 Ca 0.07 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1xs2 s LEU 41 Cb -0.11 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1xs2 s LEU 41 CO 0.01 0.13 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.42 1xs2 s ILE 42 N 0.56 2.81 -0.02 6.68 1.01 -0.49 -1.10 121.20 130.64 1xs2 s ILE 42 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1xs2 s ILE 42 Cb -0.16 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1xs2 s ILE 42 CO 0.04 0.49 0.04 -0.76 0.00 0.00 0.00 174.94 174.74 1xs2 s LEU 43 N 1.17 3.70 -0.04 2.97 1.43 0.12 -1.39 118.68 126.64 1xs2 s LEU 43 Ca 0.02 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1xs2 s LEU 43 Cb -0.14 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1xs2 s LEU 43 CO -0.05 0.29 -0.25 -1.00 0.23 0.00 0.00 176.35 175.58 1xs2 s HIS 44 N -1.10 2.33 0.00 0.29 3.76 -0.08 -0.85 115.29 119.65 1xs2 s HIS 44 Ca 0.20 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1xs2 s HIS 44 Cb -0.12 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1xs2 s HIS 44 CO 0.10 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 1xs2 n GLY 45 N 2.75 1.38 2.39 -2.22 0.00 -0.96 -0.99 105.19 107.54 1xs2 n GLY 45 Ca -0.17 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1xs2 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xs2 n GLU 46 N -0.14 -1.83 -1.43 1.61 -0.58 -1.26 -1.51 120.64 115.51 1xs2 n GLU 46 Ca 0.00 0.84 -0.11 0.00 -0.42 0.00 0.00 57.16 57.47 1xs2 n GLU 46 Cb 0.00 -5.40 -0.04 0.00 -0.57 0.00 0.00 31.44 25.42 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 -0.78 1.12 2.41 0.62 0.00 -1.26 -5.00 105.19 102.30 1xs2 n GLY 47 Ca -0.19 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.81 0.00 -3.89 1.61 0.24 -0.57 -5.12 118.33 107.78 1xs2 n VAL 48 Ca -0.12 -1.76 -0.10 0.00 -2.04 0.00 0.00 64.34 60.33 1xs2 n VAL 48 Cb 0.40 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.42 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 -3.07 0.60 -0.04 7.34 -2.07 -1.26 -2.28 119.66 118.87 1xs2 s GLN 49 Ca 0.21 -0.66 0.05 0.00 -1.82 0.00 0.00 55.36 53.15 1xs2 s GLN 49 Cb 0.01 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1xs2 s GLN 49 CO 0.15 -0.16 -0.19 0.20 -1.32 0.00 0.00 175.29 173.97 1xs2 s GLY 50 N -1.98 1.42 -0.04 2.60 0.00 -0.03 -4.43 107.32 104.86 1xs2 s GLY 50 Ca -0.07 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1xs2 s GLY 50 CO -0.03 -0.79 -0.15 0.14 0.00 0.00 0.00 173.10 172.27 1xs2 s VAL 51 N -0.58 1.28 0.12 1.40 1.01 -1.26 0.14 120.40 122.50 1xs2 s VAL 51 Ca 0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1xs2 s VAL 51 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1xs2 s VAL 51 CO 0.00 0.37 0.02 0.00 0.00 0.00 0.00 175.10 175.50 1xs2 s ALA 52 N 0.06 0.91 -0.08 5.51 0.00 -0.26 -4.57 121.76 123.33 1xs2 s ALA 52 Ca -0.03 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.53 1xs2 s ALA 52 Cb -0.11 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 1xs2 s ALA 52 CO 0.02 -0.42 -0.21 -2.00 0.00 0.00 0.00 175.76 173.15 1xs2 s GLU 53 N -3.98 2.55 0.38 0.00 2.12 -1.26 -0.77 118.70 117.74 1xs2 s GLU 53 Ca 0.20 -0.78 -0.25 0.00 0.36 0.00 0.00 54.97 54.50 1xs2 s GLU 53 Cb 0.07 -2.03 -0.09 0.00 0.26 0.00 0.00 34.13 32.35 1xs2 s GLU 53 CO -0.00 0.21 1.12 0.20 -0.54 0.00 0.00 175.26 176.25 1xs2 s GLY 54 N 0.23 2.85 0.00 -1.50 0.00 0.20 -4.86 107.32 104.24 1xs2 s GLY 54 Ca -0.13 0.87 0.12 0.00 0.00 0.00 0.00 44.72 45.58 1xs2 s GLY 54 CO 0.06 1.36 1.23 -1.30 0.00 0.00 0.00 173.10 174.45 1xs2 n THR 55 N 0.18 0.84 -2.58 0.90 -2.24 -1.26 -4.42 114.28 105.70 1xs2 n THR 55 Ca 0.04 -0.92 -0.33 0.00 -2.27 0.00 0.00 64.05 60.57 1xs2 n THR 55 Cb 0.47 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.01 4.03 0.27 -0.78 0.23 -1.26 -5.07 119.30 115.70 1xs2 s MET 56 Ca 0.24 1.08 0.07 0.00 -1.03 0.00 0.00 55.69 56.05 1xs2 s MET 56 Cb 0.13 -2.15 -0.03 0.00 -1.53 0.00 0.00 34.83 31.25 1xs2 s MET 56 CO 0.18 -0.20 0.24 -1.21 -2.03 0.00 0.00 175.02 171.99 1xs2 s GLU 57 N -3.60 2.97 0.30 3.16 2.02 -1.26 -4.57 118.70 117.72 1xs2 s GLU 57 Ca 0.61 -1.05 0.05 0.00 0.02 0.00 0.00 54.97 54.61 1xs2 s GLU 57 Cb -0.10 -2.60 0.78 0.00 0.10 0.00 0.00 34.13 32.30 1xs2 s GLU 57 CO 0.22 0.35 1.70 0.00 0.02 0.00 0.00 175.26 177.55 1xs2 h ALA 58 N 1.39 1.53 -4.01 5.21 0.00 -1.93 -0.97 119.26 120.49 1xs2 h ALA 58 Ca -0.48 0.16 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 1xs2 h ALA 58 Cb 1.24 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.92 1xs2 h ALA 58 CO 0.60 -0.34 -0.86 1.03 0.00 0.00 0.00 179.25 179.68 1xs2 s ARG 59 N -5.85 1.47 -1.11 0.00 0.52 -1.26 -4.39 118.95 108.33 1xs2 s ARG 59 Ca -0.11 -1.20 -0.22 0.00 -0.52 0.00 0.00 55.73 53.68 1xs2 s ARG 59 Cb 0.26 -1.80 0.01 0.00 0.52 0.00 0.00 34.95 33.94 1xs2 s ARG 59 CO 0.78 0.44 1.72 -1.25 0.02 0.00 0.00 175.30 177.02 1xs2 s PRO 60 N -1.69 3.29 -0.12 3.54 0.04 -1.26 -4.69 135.00 134.11 1xs2 s PRO 60 Ca 0.11 -1.22 -0.09 0.00 0.04 0.00 0.00 61.00 59.85 1xs2 s PRO 60 Cb -0.10 -5.33 -0.06 0.00 0.04 0.00 0.00 34.50 29.05 1xs2 s PRO 60 CO 0.04 -2.79 -0.21 -1.33 0.04 0.00 0.00 177.00 172.75 1xs2 n MET 61 N 8.63 0.33 0.09 4.56 2.81 -1.26 -4.65 117.12 127.62 1xs2 n MET 61 Ca 0.41 0.14 -0.17 0.00 -1.81 0.00 0.00 57.70 56.27 1xs2 n MET 61 Cb 0.48 -1.06 -0.10 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.58 0.68 -1.53 2.03 5.03 -1.96 -3.49 116.97 117.15 1xs2 h TYR 62 Ca -0.25 -0.43 0.00 0.00 2.58 0.00 0.00 58.73 60.63 1xs2 h TYR 62 Cb 1.04 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.27 1xs2 h TYR 62 CO -0.13 1.29 0.00 -2.13 -1.32 0.00 0.00 178.16 175.87 1xs2 n ARG 63 N -3.68 0.00 0.15 1.82 0.63 -1.26 -5.03 116.66 109.29 1xs2 n ARG 63 Ca -0.09 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.87 1xs2 n ARG 63 Cb 0.95 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.97 1xs2 n ARG 63 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1xs2 h GLU 64 N 0.00 0.00 -6.97 -0.14 9.09 -1.94 -3.40 114.58 111.22 1xs2 h GLU 64 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 1xs2 h GLU 64 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1xs2 h GLU 64 CO 0.00 0.46 0.22 -1.21 0.05 0.00 0.00 179.01 178.53 1xs2 s GLU 65 N -3.13 3.90 0.15 1.06 2.02 -1.26 -4.77 118.70 116.66 1xs2 s GLU 65 Ca 0.03 0.71 0.06 0.00 0.02 0.00 0.00 54.97 55.79 1xs2 s GLU 65 Cb 0.08 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1xs2 s GLU 65 CO 0.73 -0.10 -0.14 0.95 0.02 0.00 0.00 175.26 176.72 1xs2 s THR 66 N -2.40 1.44 0.32 3.63 -4.23 -1.26 -4.15 115.64 108.99 1xs2 s THR 66 Ca 0.55 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 1xs2 s THR 66 Cb -0.10 -1.76 0.28 0.00 1.34 0.00 0.00 72.50 72.27 1xs2 s THR 66 CO 0.28 -0.53 1.93 0.40 -0.54 0.00 0.00 174.62 176.16 1xs2 h ILE 67 N 3.09 1.05 0.11 2.99 2.04 -1.37 -0.83 117.51 124.58 1xs2 h ILE 67 Ca -0.39 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1xs2 h ILE 67 Cb 1.20 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xs2 h ILE 67 CO 0.56 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.83 1xs2 h ALA 68 N 1.54 -0.14 -0.44 1.87 0.00 -1.85 -1.53 119.26 118.71 1xs2 h ALA 68 Ca 0.36 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1xs2 h ALA 68 Cb 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xs2 h ALA 68 CO -0.13 -0.49 -0.12 0.78 0.00 0.00 0.00 179.25 179.29 1xs2 h GLY 69 N -0.32 0.93 1.02 0.00 0.00 -1.93 -2.56 103.07 100.21 1xs2 h GLY 69 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.47 1xs2 h GLY 69 CO 0.02 0.71 0.09 0.00 0.00 0.00 0.00 176.54 177.36 1xs2 h ALA 70 N 0.86 0.74 -0.15 3.60 0.00 -1.11 -1.54 119.26 121.66 1xs2 h ALA 70 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1xs2 h ALA 70 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xs2 h ALA 70 CO 0.05 0.50 -0.49 -0.07 0.00 0.00 0.00 179.25 179.23 1xs2 h LEU 71 N 0.82 0.44 -0.54 0.00 3.38 -1.29 -0.83 115.31 117.29 1xs2 h LEU 71 Ca 0.17 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1xs2 h LEU 71 Cb 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xs2 h LEU 71 CO 0.01 0.86 0.05 -0.78 0.09 0.00 0.00 178.44 178.67 1xs2 h ASP 72 N 0.32 0.90 -0.84 -0.43 1.82 -1.37 -1.12 116.42 115.69 1xs2 h ASP 72 Ca 0.02 -0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.36 1xs2 h ASP 72 Cb 0.98 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.71 1xs2 h ASP 72 CO 0.08 0.95 0.46 0.25 -1.61 0.00 0.00 179.24 179.38 1xs2 h LEU 73 N 0.81 1.06 0.63 2.28 5.85 -1.05 0.81 115.31 125.69 1xs2 h LEU 73 Ca 0.16 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1xs2 h LEU 73 Cb 0.46 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1xs2 h LEU 73 CO 0.02 0.85 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.59 1xs2 h LEU 74 N 1.18 -0.71 -1.45 2.25 3.38 -0.84 -1.24 115.31 117.88 1xs2 h LEU 74 Ca 0.30 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 1xs2 h LEU 74 Cb 0.03 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xs2 h LEU 74 CO -0.05 -0.41 -0.28 0.08 0.09 0.00 0.00 178.44 177.88 1xs2 h ARG 75 N -1.04 0.00 0.00 1.13 0.11 -1.24 0.48 114.38 113.81 1xs2 h ARG 75 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1xs2 h ARG 75 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1xs2 h ARG 75 CO 0.14 0.28 -1.22 0.41 0.10 0.00 0.00 179.97 179.67 1xs2 n GLY 76 N -0.72 -1.30 1.84 0.08 0.00 0.28 -4.46 105.19 100.90 1xs2 n GLY 76 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xs2 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xs2 n THR 77 N -2.40 0.15 -0.05 2.61 -1.04 -0.56 -4.86 114.28 108.13 1xs2 n THR 77 Ca -0.00 0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 1xs2 n THR 77 Cb 0.53 -0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 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 0.29 0.07 -1.42 0.05 -1.30 -2.88 116.94 111.75 1xs2 h PHE 78 Ca 0.00 -0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 1xs2 h PHE 78 Cb 0.00 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 37.88 1xs2 h PHE 78 CO 0.00 0.54 -0.03 -0.07 -0.18 0.00 0.00 178.31 178.57 1xs2 h LEU 79 N -0.04 -0.08 -1.76 1.54 3.38 -1.13 -2.70 115.31 114.53 1xs2 h LEU 79 Ca 0.04 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1xs2 h LEU 79 Cb 0.44 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1xs2 h LEU 79 CO 0.01 -0.05 0.54 -0.65 0.09 0.00 0.00 178.44 178.38 1xs2 h PRO 80 N -0.10 0.21 0.00 1.13 0.11 -1.76 -1.53 132.00 130.05 1xs2 h PRO 80 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1xs2 h PRO 80 Cb 0.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1xs2 h PRO 80 CO 0.02 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 1xs2 h ALA 81 N 1.63 1.00 0.00 -0.75 0.00 -1.25 -3.34 119.26 116.56 1xs2 h ALA 81 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1xs2 h ALA 81 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xs2 h ALA 81 CO -0.08 0.00 -1.09 0.44 0.00 0.00 0.00 179.25 178.52 1xs2 n ILE 82 N -2.37 0.03 -2.08 0.00 -5.35 -0.68 -4.91 119.36 104.00 1xs2 n ILE 82 Ca 0.04 -0.05 -0.41 0.00 -0.27 0.00 0.00 62.75 62.06 1xs2 n ILE 82 Cb 0.37 0.05 -0.02 0.00 -1.74 0.00 0.00 39.64 38.30 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 -3.42 4.40 0.00 7.28 1.43 -0.67 -1.59 118.68 126.12 1xs2 s LEU 83 Ca -0.01 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1xs2 s LEU 83 Cb 0.01 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1xs2 s LEU 83 CO 0.07 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.64 1xs2 n GLY 84 N 1.80 1.24 3.94 -3.19 0.00 0.12 -4.73 105.19 104.37 1xs2 n GLY 84 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.15 3.40 -0.06 1.61 -1.52 -0.62 -4.85 119.66 117.46 1xs2 s GLN 85 Ca 0.00 -0.29 0.05 0.00 -1.95 0.00 0.00 55.36 53.18 1xs2 s GLN 85 Cb 0.00 -2.59 -0.01 0.00 -0.22 0.00 0.00 33.01 30.18 1xs2 s GLN 85 CO 0.00 -0.01 -0.22 0.99 -0.25 0.00 0.00 175.29 175.80 1xs2 s THR 86 N -2.44 2.33 0.11 -0.19 2.01 -1.26 -2.09 115.64 114.10 1xs2 s THR 86 Ca 0.43 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1xs2 s THR 86 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1xs2 s THR 86 CO 0.38 0.57 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.43 1xs2 s PHE 87 N -0.26 1.08 -0.06 4.92 0.40 0.42 -4.94 117.98 119.53 1xs2 s PHE 87 Ca -0.00 -0.74 0.09 0.00 -0.60 0.00 0.00 56.93 55.69 1xs2 s PHE 87 Cb -0.13 -0.58 -0.24 0.00 0.51 0.00 0.00 43.02 42.58 1xs2 s PHE 87 CO 0.03 -0.01 0.59 0.00 0.70 0.00 0.00 175.22 176.53 1xs2 n ALA 88 N 0.23 1.39 -3.70 5.36 0.00 -1.26 -0.78 120.51 121.74 1xs2 n ALA 88 Ca -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.50 1xs2 n ALA 88 Cb 0.59 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 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 -6.23 -0.24 0.39 0.00 2.20 -1.26 -4.77 114.94 105.02 1xs2 s ASN 89 Ca -0.08 -0.33 0.09 0.00 -0.94 0.00 0.00 52.86 51.61 1xs2 s ASN 89 Cb 0.08 0.49 0.85 0.00 -2.00 0.00 0.00 41.25 40.67 1xs2 s ASN 89 CO 0.81 -0.89 1.96 -0.65 -2.94 0.00 0.00 177.10 175.39 1xs2 h PRO 90 N 2.00 0.60 -0.61 3.55 0.11 -1.94 -0.98 132.00 134.73 1xs2 h PRO 90 Ca -0.24 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1xs2 h PRO 90 Cb 1.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1xs2 h PRO 90 CO 0.27 0.40 0.40 0.93 -0.21 0.00 0.00 178.00 179.79 1xs2 h GLU 91 N 0.62 0.79 -0.13 1.05 3.07 -1.96 -0.21 114.58 117.82 1xs2 h GLU 91 Ca 0.31 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 59.00 1xs2 h GLU 91 Cb 0.40 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1xs2 h GLU 91 CO -0.10 0.52 -0.45 0.00 -1.40 0.00 0.00 179.01 177.58 1xs2 h ALA 92 N 1.62 1.01 -0.01 3.43 0.00 -1.59 -1.27 119.26 122.45 1xs2 h ALA 92 Ca 0.23 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xs2 h ALA 92 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xs2 h ALA 92 CO -0.05 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.11 1xs2 h VAL 93 N 0.25 1.16 -0.95 0.00 2.07 -0.74 -2.85 116.25 115.18 1xs2 h VAL 93 Ca 0.02 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1xs2 h VAL 93 Cb 0.89 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1xs2 h VAL 93 CO 0.07 0.12 0.63 0.28 0.02 0.00 0.00 177.57 178.69 1xs2 h SER 94 N -0.18 1.06 -0.59 0.57 0.02 -0.96 -1.73 113.55 111.75 1xs2 h SER 94 Ca 0.00 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1xs2 h SER 94 Cb 0.20 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1xs2 h SER 94 CO -0.00 0.75 0.39 -0.78 -1.14 0.00 0.00 176.83 176.05 1xs2 h ASP 95 N 1.24 0.57 0.58 3.07 1.82 -1.14 -2.70 116.42 119.87 1xs2 h ASP 95 Ca 0.36 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1xs2 h ASP 95 Cb -0.07 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1xs2 h ASP 95 CO -0.10 0.39 0.00 0.00 -1.61 0.00 0.00 179.24 177.93 1xs2 n ALA 96 N -2.47 2.12 0.18 -0.78 0.00 -0.65 -3.42 120.51 115.50 1xs2 n ALA 96 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1xs2 n ALA 96 Cb 0.15 -1.37 0.13 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 -1.38 3.49 0.00 0.00 4.77 -1.02 -4.89 117.00 117.98 1xs2 n LEU 97 Ca 0.09 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 1xs2 n LEU 97 Cb 0.22 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1xs2 n LEU 97 CO 0.19 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1xs2 n GLY 98 N 0.11 -0.53 1.47 -0.72 0.00 -1.22 -4.28 105.19 100.02 1xs2 n GLY 98 Ca 0.16 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.25 1xs2 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xs2 n SER 99 N -2.42 4.95 -4.61 1.61 7.64 -1.26 -5.00 113.62 114.53 1xs2 n SER 99 Ca 0.00 -2.94 -0.39 0.00 1.01 0.00 0.00 58.87 56.55 1xs2 n SER 99 Cb 0.00 -0.62 0.04 0.00 -1.01 0.00 0.00 64.21 62.62 1xs2 n SER 99 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xs2 n TYR 100 N 0.20 0.86 -3.61 1.43 4.02 -1.26 -4.94 117.16 113.87 1xs2 n TYR 100 Ca 0.25 0.47 -0.37 0.00 -0.01 0.00 0.00 57.90 58.24 1xs2 n TYR 100 Cb 1.06 -2.16 -0.06 0.00 -0.02 0.00 0.00 39.34 38.16 1xs2 n TYR 100 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs2 s ARG 101 N -2.47 3.88 3.53 -0.72 0.52 -1.26 -4.95 118.95 117.48 1xs2 s ARG 101 Ca 0.71 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 56.11 1xs2 s ARG 101 Cb -0.46 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1xs2 s ARG 101 CO 0.51 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.83 1xs2 n GLY 102 N 2.28 0.36 3.41 -3.53 0.00 -1.26 -4.94 105.19 101.51 1xs2 n GLY 102 Ca -0.15 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.14 -2.28 -0.00 1.61 3.02 -1.26 -4.92 115.26 110.29 1xs2 n ASN 103 Ca 0.00 -0.62 -0.13 0.00 -0.03 0.00 0.00 54.58 53.80 1xs2 n ASN 103 Cb 0.00 -5.12 -0.01 0.00 -0.61 0.00 0.00 39.78 34.04 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 -1.85 0.64 -0.27 3.52 2.47 -1.88 -2.27 114.38 114.75 1xs2 h ARG 104 Ca -0.59 -0.48 -0.11 0.00 -1.26 0.00 0.00 59.98 57.54 1xs2 h ARG 104 Cb 1.34 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 1xs2 h ARG 104 CO 0.49 1.10 -0.31 0.52 0.56 0.00 0.00 179.97 182.33 1xs2 h MET 105 N 0.46 0.56 -0.14 0.04 2.86 -1.84 0.31 114.93 117.18 1xs2 h MET 105 Ca -0.02 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1xs2 h MET 105 Cb 1.27 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1xs2 h MET 105 CO 0.13 0.80 -0.02 0.00 1.06 0.00 0.00 176.91 178.89 1xs2 h ALA 106 N 1.18 0.20 -0.91 6.32 0.00 -1.87 -2.23 119.26 121.95 1xs2 h ALA 106 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xs2 h ALA 106 Cb 0.78 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1xs2 h ALA 106 CO 0.06 -0.08 0.60 0.00 0.00 0.00 0.00 179.25 179.83 1xs2 h ARG 107 N -0.02 1.16 -0.44 0.00 3.08 -1.07 -2.09 114.38 114.99 1xs2 h ARG 107 Ca 0.04 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xs2 h ARG 107 Cb 0.41 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1xs2 h ARG 107 CO 0.01 0.77 0.29 0.00 -1.07 0.00 0.00 179.97 179.97 1xs2 h ALA 108 N 1.35 1.80 -0.73 0.04 0.00 -0.22 -0.95 119.26 120.55 1xs2 h ALA 108 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1xs2 h ALA 108 Cb -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1xs2 h ALA 108 CO -0.09 0.15 0.43 0.52 0.00 0.00 0.00 179.25 180.26 1xs2 h MET 109 N 0.49 1.00 -0.09 0.00 2.86 -0.75 -0.90 114.93 117.54 1xs2 h MET 109 Ca 0.18 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1xs2 h MET 109 Cb 0.10 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1xs2 h MET 109 CO -0.04 0.72 -0.10 0.28 1.06 0.00 0.00 176.91 178.83 1xs2 h VAL 110 N 1.00 1.37 -0.48 -2.22 2.07 -1.43 -2.71 116.25 113.83 1xs2 h VAL 110 Ca 0.26 -1.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.40 1xs2 h VAL 110 Cb -0.01 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1xs2 h VAL 110 CO -0.05 0.36 -0.16 -0.08 0.02 0.00 0.00 177.57 177.66 1xs2 h GLU 111 N -0.19 0.93 0.11 1.57 4.22 -1.08 -0.62 114.58 119.53 1xs2 h GLU 111 Ca 0.01 -0.36 -0.27 0.00 0.08 0.00 0.00 59.36 58.83 1xs2 h GLU 111 Cb 0.62 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xs2 h GLU 111 CO 0.02 1.02 -1.20 0.52 -2.18 0.00 0.00 179.01 177.19 1xs2 h MET 112 N 0.82 0.30 -0.34 1.92 2.86 -1.25 -0.94 114.93 118.31 1xs2 h MET 112 Ca 0.12 -0.48 -0.09 0.00 -2.06 0.00 0.00 59.70 57.20 1xs2 h MET 112 Cb 0.70 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1xs2 h MET 112 CO 0.05 1.21 -0.15 0.00 1.06 0.00 0.00 176.91 179.08 1xs2 h ALA 113 N 0.60 1.12 -0.71 6.32 0.00 -1.37 -1.63 119.26 123.58 1xs2 h ALA 113 Ca -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1xs2 h ALA 113 Cb 1.91 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1xs2 h ALA 113 CO 0.20 0.55 0.33 0.00 0.00 0.00 0.00 179.25 180.33 1xs2 h ALA 114 N 1.30 0.92 -0.57 0.00 0.00 -0.83 0.17 119.26 120.25 1xs2 h ALA 114 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xs2 h ALA 114 Cb 0.57 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1xs2 h ALA 114 CO 0.04 0.50 0.35 -1.49 0.00 0.00 0.00 179.25 178.65 1xs2 h TRP 115 N 1.00 0.66 -0.17 0.00 4.06 -0.83 -1.03 115.95 119.65 1xs2 h TRP 115 Ca 0.24 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.21 1xs2 h TRP 115 Cb 0.14 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1xs2 h TRP 115 CO 0.01 0.38 0.10 0.22 -3.56 0.00 0.00 178.44 175.59 1xs2 h ASP 116 N 0.70 0.21 -0.39 -3.49 3.58 -0.87 -1.31 116.42 114.85 1xs2 h ASP 116 Ca 0.23 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1xs2 h ASP 116 Cb 0.00 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1xs2 h ASP 116 CO -0.09 0.21 0.26 0.25 -2.88 0.00 0.00 179.24 176.99 1xs2 h LEU 117 N 0.18 0.46 -0.38 2.28 5.85 -0.73 -1.02 115.31 121.94 1xs2 h LEU 117 Ca 0.06 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1xs2 h LEU 117 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1xs2 h LEU 117 CO -0.01 0.34 -0.11 -0.25 -0.34 0.00 0.00 178.44 178.08 1xs2 h TRP 118 N 0.53 0.85 -0.10 1.25 2.91 -1.09 -1.12 115.95 119.18 1xs2 h TRP 118 Ca 0.14 -0.19 -0.04 0.00 1.13 0.00 0.00 58.89 59.93 1xs2 h TRP 118 Cb -0.05 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.39 1xs2 h TRP 118 CO -0.05 0.90 -0.15 0.00 -1.03 0.00 0.00 178.44 178.12 1xs2 h ALA 119 N 0.83 1.58 0.00 2.65 0.00 -1.03 -2.54 119.26 120.75 1xs2 h ALA 119 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1xs2 h ALA 119 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xs2 h ALA 119 CO 0.04 0.31 -0.58 0.00 0.00 0.00 0.00 179.25 179.02 1xs2 h ARG 120 N 0.15 0.00 -0.01 0.00 3.08 -0.29 -0.56 114.38 116.74 1xs2 h ARG 120 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1xs2 h ARG 120 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1xs2 h ARG 120 CO 0.02 0.58 -0.52 1.79 -1.07 0.00 0.00 179.97 180.77 1xs2 h THR 121 N 0.00 1.37 0.00 2.04 1.35 -0.84 -2.89 112.91 113.95 1xs2 h THR 121 Ca -0.01 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1xs2 h THR 121 Cb 1.31 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1xs2 h THR 121 CO 0.08 0.52 -0.45 0.18 -0.25 0.00 0.00 175.52 175.59 1xs2 n LEU 122 N -3.92 0.72 -0.71 3.87 4.77 -1.03 -4.94 117.00 115.75 1xs2 n LEU 122 Ca -0.02 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1xs2 n LEU 122 Cb 0.54 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1xs2 n LEU 122 CO 0.41 -0.08 -0.08 0.61 -1.33 0.00 0.00 177.39 176.91 1xs2 n GLY 123 N 1.34 0.68 3.50 -0.72 0.00 -0.31 -5.04 105.19 104.64 1xs2 n GLY 123 Ca 0.04 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.33 3.14 0.42 1.61 1.01 -0.66 -4.70 120.40 118.90 1xs2 s VAL 124 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 1xs2 s VAL 124 Cb 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 1xs2 s VAL 124 CO 0.00 0.45 1.44 -2.65 0.00 0.00 0.00 175.10 174.34 1xs2 n PRO 125 N 1.84 2.36 0.18 2.72 -0.02 -1.26 -0.88 135.00 139.94 1xs2 n PRO 125 Ca -0.16 0.83 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1xs2 n PRO 125 Cb 0.52 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1xs2 n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xs2 h LEU 126 N 2.48 -0.74 -0.91 2.45 5.85 -1.31 -2.21 115.31 120.93 1xs2 h LEU 126 Ca -0.50 0.07 0.25 0.00 0.84 0.00 0.00 57.88 58.53 1xs2 h LEU 126 Cb 1.26 0.26 -0.16 0.00 0.37 0.00 0.00 40.66 42.39 1xs2 h LEU 126 CO 0.62 -0.39 0.11 1.23 -0.34 0.00 0.00 178.44 179.67 1xs2 h GLY 127 N -0.57 1.25 1.16 3.75 0.00 -1.82 -0.91 103.07 105.93 1xs2 h GLY 127 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1xs2 h GLY 127 CO -0.07 -0.44 0.44 -0.84 0.00 0.00 0.00 176.54 175.64 1xs2 h THR 128 N 0.09 1.23 -0.02 4.70 2.02 -1.56 -1.93 112.91 117.44 1xs2 h THR 128 Ca 0.56 -0.56 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1xs2 h THR 128 Cb 1.15 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1xs2 h THR 128 CO -0.78 0.26 -0.54 -0.07 0.37 0.00 0.00 175.52 174.75 1xs2 h LEU 129 N 1.11 0.05 0.00 2.58 3.38 -1.04 -2.88 115.31 118.50 1xs2 h LEU 129 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xs2 h LEU 129 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xs2 h LEU 129 CO -0.05 0.58 -0.07 0.18 0.09 0.00 0.00 178.44 179.17 1xs2 n LEU 130 N -3.90 0.09 0.00 1.67 4.77 -0.84 -4.93 117.00 113.86 1xs2 n LEU 130 Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1xs2 n LEU 130 Cb 0.55 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xs2 n LEU 130 CO 0.41 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1xs2 n GLY 131 N 1.50 0.70 3.80 -0.72 0.00 -0.92 -5.03 105.19 104.51 1xs2 n GLY 131 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.89 2.55 0.00 -0.02 0.00 -0.79 -4.88 107.32 103.30 1xs2 s GLY 132 Ca 0.00 0.53 0.10 0.00 0.00 0.00 0.00 44.72 45.35 1xs2 s GLY 132 CO 0.00 0.87 1.04 -2.39 0.00 0.00 0.00 173.10 172.63 1xs2 n HIS 133 N -0.41 0.00 -2.69 1.90 1.44 -1.24 -4.18 115.22 110.04 1xs2 n HIS 133 Ca 0.06 -0.21 -0.34 0.00 -2.01 0.00 0.00 57.72 55.23 1xs2 n HIS 133 Cb 0.52 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.52 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 0.00 4.07 0.00 -1.40 1.02 -1.25 -4.97 119.74 117.21 1xs2 s LYS 134 Ca 0.13 1.26 0.12 0.00 0.02 0.00 0.00 55.97 57.50 1xs2 s LYS 134 Cb 0.15 -2.21 -0.11 0.00 -0.52 0.00 0.00 37.83 35.15 1xs2 s LYS 134 CO -0.07 -0.18 0.55 0.39 -0.92 0.00 0.00 175.35 175.13 1xs2 n GLU 135 N -0.66 2.82 -3.61 1.68 1.02 -1.26 -4.92 120.64 115.71 1xs2 n GLU 135 Ca 0.07 -0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 56.93 1xs2 n GLU 135 Cb 0.53 -1.09 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.04 0.87 0.08 3.49 -2.07 -1.26 -1.91 119.66 116.82 1xs2 s GLN 136 Ca 0.06 0.34 0.10 0.00 -1.82 0.00 0.00 55.36 54.04 1xs2 s GLN 136 Cb 0.09 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.39 1xs2 s GLN 136 CO 0.46 -0.23 -0.27 0.14 -1.32 0.00 0.00 175.29 174.08 1xs2 s VAL 137 N -0.76 2.19 0.33 3.63 -7.23 -0.27 -4.92 120.40 113.37 1xs2 s VAL 137 Ca -0.08 -1.53 -0.26 0.00 -1.81 0.00 0.00 61.98 58.30 1xs2 s VAL 137 Cb -0.02 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.92 1xs2 s VAL 137 CO 0.06 0.27 0.96 -1.61 -0.31 0.00 0.00 175.10 174.46 1xs2 s GLU 138 N -1.54 4.54 0.04 4.82 2.02 -1.26 -0.98 118.70 126.34 1xs2 s GLU 138 Ca 0.13 1.35 0.02 0.00 0.02 0.00 0.00 54.97 56.49 1xs2 s GLU 138 Cb -0.10 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 1xs2 s GLU 138 CO 0.04 0.24 -0.07 0.14 0.02 0.00 0.00 175.26 175.62 1xs2 s VAL 139 N -1.62 0.47 0.00 2.63 -7.23 -0.33 -2.18 120.40 112.15 1xs2 s VAL 139 Ca 0.51 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1xs2 s VAL 139 Cb -0.19 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1xs2 s VAL 139 CO 0.24 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1xs2 n GLY 140 N 1.40 4.54 3.09 2.32 0.00 0.18 -1.36 105.19 115.36 1xs2 n GLY 140 Ca -0.22 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.56 1xs2 n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xs2 s VAL 141 N -0.97 0.68 -0.11 1.61 -7.23 -0.73 -4.44 120.40 109.22 1xs2 s VAL 141 Ca 0.00 -1.12 -0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1xs2 s VAL 141 Cb 0.00 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 1xs2 s VAL 141 CO 0.00 -0.33 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.92 1xs2 s SER 142 N -1.60 4.36 -0.05 4.85 0.01 -1.26 -0.44 113.70 119.57 1xs2 s SER 142 Ca -0.08 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1xs2 s SER 142 Cb -0.10 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1xs2 s SER 142 CO 0.01 0.25 -0.17 -0.76 0.41 0.00 0.00 173.24 172.98 1xs2 s LEU 143 N -0.12 2.60 0.00 2.44 1.43 0.11 -4.96 118.68 120.18 1xs2 s LEU 143 Ca 0.00 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1xs2 s LEU 143 Cb -0.13 -1.51 0.13 0.00 0.03 0.00 0.00 46.19 44.70 1xs2 s LEU 143 CO 0.03 0.33 0.43 0.61 0.23 0.00 0.00 176.35 177.98 1xs2 n GLY 144 N 2.39 -2.83 3.71 -3.19 0.00 -1.26 -1.32 105.19 102.70 1xs2 n GLY 144 Ca -0.17 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1xs2 n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xs2 s ILE 145 N -1.74 4.38 0.47 -0.61 1.01 -1.26 -4.42 121.20 119.03 1xs2 s ILE 145 Ca 0.29 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.75 1xs2 s ILE 145 Cb -0.03 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1xs2 s ILE 145 CO 0.22 0.14 0.63 -1.10 0.00 0.00 0.00 174.94 174.84 1xs2 s GLN 146 N 0.97 2.64 0.22 2.79 -1.52 -1.26 -5.03 119.66 118.46 1xs2 s GLN 146 Ca 0.55 -1.40 0.06 0.00 -1.95 0.00 0.00 55.36 52.63 1xs2 s GLN 146 Cb -0.26 -2.70 0.17 0.00 -0.22 0.00 0.00 33.01 30.00 1xs2 s GLN 146 CO 0.29 -0.47 1.50 0.00 -0.25 0.00 0.00 175.29 176.36 1xs2 h ALA 147 N 0.51 0.75 -2.84 6.09 0.00 -1.96 -3.48 119.26 118.32 1xs2 h ALA 147 Ca -0.37 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 53.96 1xs2 h ALA 147 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1xs2 h ALA 147 CO 0.44 0.84 0.35 0.16 0.00 0.00 0.00 179.25 181.05 1xs2 s ASP 148 N -6.87 -0.05 0.24 0.00 3.84 -1.26 -5.04 116.67 107.53 1xs2 s ASP 148 Ca -0.02 -0.91 -0.06 0.00 -0.00 0.00 0.00 52.55 51.56 1xs2 s ASP 148 Cb 0.11 0.73 0.34 0.00 -1.38 0.00 0.00 42.92 42.72 1xs2 s ASP 148 CO 0.80 -1.42 1.83 -0.33 -0.00 0.00 0.00 175.17 176.04 1xs2 h GLU 149 N 2.00 0.83 -0.03 2.11 5.08 -1.93 -2.37 114.58 120.27 1xs2 h GLU 149 Ca -0.29 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 57.78 1xs2 h GLU 149 Cb 1.24 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.32 1xs2 h GLU 149 CO 0.36 0.55 -0.95 0.37 -1.00 0.00 0.00 179.01 178.34 1xs2 h GLN 150 N 0.85 0.60 -0.27 2.33 5.75 -1.98 -2.71 115.11 119.69 1xs2 h GLN 150 Ca 0.37 -0.61 -0.08 0.00 -0.15 0.00 0.00 58.65 58.18 1xs2 h GLN 150 Cb 0.24 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1xs2 h GLN 150 CO -0.20 1.22 -0.16 0.00 -2.65 0.00 0.00 178.83 177.04 1xs2 h ALA 151 N 0.58 1.23 0.30 3.38 0.00 -1.92 -0.24 119.26 122.59 1xs2 h ALA 151 Ca -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xs2 h ALA 151 Cb 1.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xs2 h ALA 151 CO 0.18 0.50 -0.15 1.15 0.00 0.00 0.00 179.25 180.93 1xs2 h THR 152 N 0.42 0.72 -0.95 0.00 2.02 -1.46 -1.55 112.91 112.11 1xs2 h THR 152 Ca 0.07 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1xs2 h THR 152 Cb 0.53 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1xs2 h THR 152 CO 0.03 0.04 0.57 0.58 0.37 0.00 0.00 175.52 177.12 1xs2 h VAL 153 N -0.50 1.26 0.14 3.16 2.07 -1.13 -0.20 116.25 121.05 1xs2 h VAL 153 Ca -0.04 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1xs2 h VAL 153 Cb 0.37 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1xs2 h VAL 153 CO 0.07 0.27 -0.08 0.44 0.02 0.00 0.00 177.57 178.29 1xs2 h ASP 154 N 1.31 -0.21 -0.60 0.57 3.32 -1.00 -0.50 116.42 119.31 1xs2 h ASP 154 Ca 0.34 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 1xs2 h ASP 154 Cb -0.06 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1xs2 h ASP 154 CO -0.06 -0.14 0.26 0.25 -1.72 0.00 0.00 179.24 177.83 1xs2 h LEU 155 N -0.21 0.85 -0.65 1.55 5.85 -0.75 -1.89 115.31 120.06 1xs2 h LEU 155 Ca -0.01 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1xs2 h LEU 155 Cb 0.18 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1xs2 h LEU 155 CO 0.01 0.76 0.31 0.58 -0.34 0.00 0.00 178.44 179.76 1xs2 h VAL 156 N 0.91 1.22 -0.53 1.05 2.07 -0.92 -3.10 116.25 116.95 1xs2 h VAL 156 Ca 0.22 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1xs2 h VAL 156 Cb 0.17 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1xs2 h VAL 156 CO -0.02 0.26 0.23 -0.09 0.02 0.00 0.00 177.57 177.97 1xs2 h ARG 157 N 0.89 0.78 -0.69 1.57 2.43 -0.32 0.40 114.38 119.44 1xs2 h ARG 157 Ca 0.22 -0.13 0.15 0.00 -0.81 0.00 0.00 59.98 59.41 1xs2 h ARG 157 Cb 0.12 -0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 29.43 1xs2 h ARG 157 CO -0.03 0.67 0.10 0.00 -1.51 0.00 0.00 179.97 179.20 1xs2 h ARG 158 N 0.72 0.20 0.03 0.20 3.08 -1.38 0.36 114.38 117.59 1xs2 h ARG 158 Ca 0.18 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 60.00 1xs2 h ARG 158 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xs2 h ARG 158 CO -0.02 0.13 -0.99 0.45 -1.07 0.00 0.00 179.97 178.47 1xs2 h HIS 159 N 0.20 0.34 -0.11 3.04 3.86 -1.19 -2.84 115.15 118.45 1xs2 h HIS 159 Ca 0.38 -0.21 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1xs2 h HIS 159 Cb 0.64 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1xs2 h HIS 159 CO -0.31 1.07 -0.39 0.28 0.86 0.00 0.00 177.93 179.44 1xs2 h VAL 160 N 0.10 1.30 0.00 2.45 2.07 -0.54 -1.68 116.25 119.95 1xs2 h VAL 160 Ca -0.07 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1xs2 h VAL 160 Cb 1.66 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1xs2 h VAL 160 CO 0.15 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.56 1xs2 n GLU 161 N -4.04 0.19 -0.03 1.57 1.02 0.08 -1.90 120.64 117.52 1xs2 n GLU 161 Ca -0.01 0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 1xs2 n GLU 161 Cb 0.46 -1.80 0.50 0.00 -0.02 0.00 0.00 31.44 30.58 1xs2 n GLU 161 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xs2 n GLN 162 N -2.15 1.64 -0.98 3.49 1.13 -0.64 -4.97 117.38 114.90 1xs2 n GLN 162 Ca 0.03 -0.94 0.00 0.00 -1.94 0.00 0.00 57.00 54.15 1xs2 n GLN 162 Cb 0.28 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1xs2 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xs2 n GLY 163 N 1.14 0.50 3.74 1.08 0.00 -0.80 -3.53 105.19 107.34 1xs2 n GLY 163 Ca 0.18 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.98 2.82 1.47 1.61 4.02 -1.14 -2.19 117.16 120.77 1xs2 n TYR 164 Ca 0.00 0.31 0.14 0.00 -0.01 0.00 0.00 57.90 58.34 1xs2 n TYR 164 Cb 0.00 -2.57 0.53 0.00 -0.02 0.00 0.00 39.34 37.28 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 1.78 1.35 -3.71 -0.72 1.74 -0.46 -4.81 116.66 111.83 1xs2 n ARG 165 Ca 0.07 -0.72 -0.14 0.00 -0.77 0.00 0.00 57.85 56.29 1xs2 n ARG 165 Cb 0.37 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 1xs2 n ARG 165 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs2 s ARG 166 N -2.15 0.63 -0.17 5.56 3.00 -1.26 -4.39 118.95 120.16 1xs2 s ARG 166 Ca 0.35 0.39 -0.00 0.00 -1.00 0.00 0.00 55.73 55.47 1xs2 s ARG 166 Cb 0.21 0.30 0.00 0.00 0.00 0.00 0.00 34.95 35.46 1xs2 s ARG 166 CO 0.39 -0.12 -0.15 0.42 0.00 0.00 0.00 175.30 175.83 1xs2 s ILE 167 N -0.31 2.56 -0.25 4.11 -1.09 -0.59 -1.77 121.20 123.86 1xs2 s ILE 167 Ca -0.05 -0.79 -0.06 0.00 -2.23 0.00 0.00 60.65 57.52 1xs2 s ILE 167 Cb -0.03 -2.09 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1xs2 s ILE 167 CO 0.03 0.51 0.04 -0.75 -1.23 0.00 0.00 174.94 173.54 1xs2 s LYS 168 N 1.07 3.46 -0.20 2.79 2.20 0.41 -0.47 119.74 129.00 1xs2 s LYS 168 Ca -0.01 -0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 54.91 1xs2 s LYS 168 Cb -0.14 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1xs2 s LYS 168 CO -0.04 -0.24 0.12 -0.51 -0.36 0.00 0.00 175.35 174.31 1xs2 s LEU 169 N 1.55 4.16 0.58 5.43 1.43 -0.73 0.04 118.68 131.14 1xs2 s LEU 169 Ca 0.05 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1xs2 s LEU 169 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1xs2 s LEU 169 CO 0.01 0.18 1.25 -0.75 0.23 0.00 0.00 176.35 177.28 1xs2 s LYS 170 N 0.33 3.04 0.19 1.70 2.20 -0.43 -1.38 119.74 125.39 1xs2 s LYS 170 Ca 0.07 1.94 -0.02 0.00 -0.36 0.00 0.00 55.97 57.60 1xs2 s LYS 170 Cb -0.11 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 1xs2 s LYS 170 CO -0.02 -1.18 0.15 0.96 -0.36 0.00 0.00 175.35 174.90 1xs2 s ILE 171 N -1.50 0.02 0.27 5.43 -4.36 -0.54 -4.72 121.20 115.79 1xs2 s ILE 171 Ca 0.75 -1.92 -0.16 0.00 -0.26 0.00 0.00 60.65 59.07 1xs2 s ILE 171 Cb -0.33 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.02 1xs2 s ILE 171 CO 0.37 -0.10 0.58 -1.59 0.24 0.00 0.00 174.94 174.44 1xs2 s LYS 172 N -4.12 1.67 0.09 0.37 -2.85 -0.62 -4.64 119.74 109.64 1xs2 s LYS 172 Ca 0.34 -1.17 -0.28 0.00 -1.00 0.00 0.00 55.97 53.86 1xs2 s LYS 172 Cb 0.06 0.53 -0.06 0.00 -2.06 0.00 0.00 37.83 36.30 1xs2 s LYS 172 CO 0.09 -0.73 0.89 -1.25 0.10 0.00 0.00 175.35 174.46 1xs2 s PRO 173 N -3.90 4.62 -0.84 1.78 0.04 -1.26 -0.36 135.00 135.08 1xs2 s PRO 173 Ca 0.18 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1xs2 s PRO 173 Cb -0.03 -3.37 0.33 0.00 0.04 0.00 0.00 34.50 31.48 1xs2 s PRO 173 CO 0.09 0.24 1.55 0.41 0.04 0.00 0.00 177.00 179.33 1xs2 n GLY 174 N 2.30 5.92 2.98 0.56 0.00 -1.26 -5.03 105.19 110.66 1xs2 n GLY 174 Ca 0.01 -2.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.07 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 -4.01 3.61 0.23 1.61 -0.00 0.52 -4.88 118.94 116.02 1xs2 s TRP 175 Ca 0.44 -3.20 0.00 0.00 -0.00 0.00 0.00 56.10 53.34 1xs2 s TRP 175 Cb 0.26 -2.90 0.00 0.00 -0.00 0.00 0.00 33.47 30.82 1xs2 s TRP 175 CO -0.17 -0.64 0.00 -0.40 -0.00 0.00 0.00 176.95 175.74 1xs2 n ASP 176 N 2.31 -0.55 0.12 5.86 5.68 -1.20 -1.59 116.55 127.18 1xs2 n ASP 176 Ca 0.18 0.41 0.04 0.00 -0.50 0.00 0.00 54.79 54.92 1xs2 n ASP 176 Cb 0.35 0.68 0.47 0.00 -1.14 0.00 0.00 41.12 41.48 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 1.11 0.24 2.12 2.07 -1.90 -2.95 116.25 116.93 1xs2 h VAL 177 Ca 0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1xs2 h VAL 177 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1xs2 h VAL 177 CO 0.00 0.13 -0.11 1.56 0.02 0.00 0.00 177.57 179.17 1xs2 h GLN 178 N 0.27 -0.30 -0.93 1.57 7.50 -1.91 0.16 115.11 121.46 1xs2 h GLN 178 Ca 0.07 0.02 0.23 0.00 0.50 0.00 0.00 58.65 59.47 1xs2 h GLN 178 Cb 0.14 0.07 -0.13 0.00 0.05 0.00 0.00 27.48 27.61 1xs2 h GLN 178 CO -0.00 -0.04 0.45 -1.35 -1.50 0.00 0.00 178.83 176.38 1xs2 h PRO 179 N -1.02 0.42 -0.10 1.46 0.11 -1.90 -1.94 132.00 129.03 1xs2 h PRO 179 Ca -0.03 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1xs2 h PRO 179 Cb 0.40 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1xs2 h PRO 179 CO 0.05 0.28 -0.15 0.28 -0.21 0.00 0.00 178.00 178.25 1xs2 h VAL 180 N 0.43 1.38 -0.76 3.15 2.07 -1.44 -2.04 116.25 119.05 1xs2 h VAL 180 Ca 0.59 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1xs2 h VAL 180 Cb 1.14 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 1xs2 h VAL 180 CO -0.53 0.40 0.36 -0.09 0.02 0.00 0.00 177.57 177.74 1xs2 h ARG 181 N -0.16 1.08 0.11 1.57 2.43 -0.56 0.11 114.38 118.97 1xs2 h ARG 181 Ca 0.01 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1xs2 h ARG 181 Cb 0.71 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xs2 h ARG 181 CO 0.03 0.83 -0.05 0.00 -1.51 0.00 0.00 179.97 179.27 1xs2 h ALA 182 N 1.33 -0.15 -0.92 2.80 0.00 -1.37 -1.34 119.26 119.60 1xs2 h ALA 182 Ca 0.26 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1xs2 h ALA 182 Cb 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1xs2 h ALA 182 CO -0.03 -0.33 0.54 1.15 0.00 0.00 0.00 179.25 180.58 1xs2 h THR 183 N -0.67 0.85 -0.37 0.00 2.02 -1.27 -2.41 112.91 111.07 1xs2 h THR 183 Ca -0.02 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.75 1xs2 h THR 183 Cb 0.52 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1xs2 h THR 183 CO 0.03 0.15 -0.27 -0.09 0.37 0.00 0.00 175.52 175.70 1xs2 h ARG 184 N 0.83 0.84 0.09 6.66 9.65 -0.61 -0.82 114.38 131.02 1xs2 h ARG 184 Ca 0.47 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1xs2 h ARG 184 Cb 0.54 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1xs2 h ARG 184 CO -0.30 1.05 -0.05 0.93 2.80 0.00 0.00 179.97 184.41 1xs2 h GLU 185 N 0.64 -0.12 -0.97 0.20 5.08 -0.78 -2.41 114.58 116.22 1xs2 h GLU 185 Ca 0.07 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1xs2 h GLU 185 Cb 0.85 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1xs2 h GLU 185 CO 0.07 0.10 0.62 0.00 -1.00 0.00 0.00 179.01 178.80 1xs2 h ALA 186 N 0.55 1.54 -2.88 3.43 0.00 -1.48 -3.38 119.26 117.03 1xs2 h ALA 186 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 1xs2 h ALA 186 Cb 0.28 -0.23 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 1xs2 h ALA 186 CO 0.02 0.26 -0.73 -0.06 0.00 0.00 0.00 179.25 178.75 1xs2 s PHE 187 N -5.92 2.46 -1.29 0.00 0.40 -0.31 -4.97 117.98 108.35 1xs2 s PHE 187 Ca -0.12 -2.82 0.28 0.00 -0.60 0.00 0.00 56.93 53.67 1xs2 s PHE 187 Cb 0.21 -2.01 1.34 0.00 0.51 0.00 0.00 43.02 43.07 1xs2 s PHE 187 CO 0.80 -0.69 1.94 -0.35 0.70 0.00 0.00 175.22 177.62 1xs2 n PRO 188 N 2.68 0.27 -0.00 0.24 -0.04 -0.95 -3.72 135.00 133.48 1xs2 n PRO 188 Ca 0.19 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.70 1xs2 n PRO 188 Cb 0.38 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1xs2 n PRO 188 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xs2 n ASP 189 N -1.36 0.81 -4.77 3.54 8.00 -1.26 -5.03 116.55 116.48 1xs2 n ASP 189 Ca 0.11 -0.54 -0.32 0.00 0.71 0.00 0.00 54.79 54.75 1xs2 n ASP 189 Cb 0.26 1.05 0.06 0.00 -0.02 0.00 0.00 41.12 42.47 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 -1.72 3.29 -0.33 0.53 -4.36 -1.24 -4.97 121.20 112.39 1xs2 s ILE 190 Ca 0.02 0.52 -0.29 0.00 -0.26 0.00 0.00 60.65 60.64 1xs2 s ILE 190 Cb 0.05 -3.03 0.01 0.00 1.25 0.00 0.00 42.46 40.74 1xs2 s ILE 190 CO 0.26 -0.45 1.14 -0.60 0.24 0.00 0.00 174.94 175.54 1xs2 s ARG 191 N -4.42 4.00 -0.07 0.37 3.52 -1.26 -5.03 118.95 116.06 1xs2 s ARG 191 Ca 0.65 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 57.36 1xs2 s ARG 191 Cb -0.19 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 1xs2 s ARG 191 CO 0.47 -1.00 -0.17 -1.17 -0.81 0.00 0.00 175.30 172.62 1xs2 s LEU 192 N 3.91 1.86 0.33 -0.88 2.96 -1.26 -1.54 118.68 124.07 1xs2 s LEU 192 Ca 0.49 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1xs2 s LEU 192 Cb -0.13 -1.04 -0.06 0.00 0.50 0.00 0.00 46.19 45.46 1xs2 s LEU 192 CO 0.19 0.11 0.07 0.42 -1.32 0.00 0.00 176.35 175.83 1xs2 s THR 193 N 0.33 1.03 0.09 3.68 -4.23 0.37 -2.37 115.64 114.55 1xs2 s THR 193 Ca -0.11 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1xs2 s THR 193 Cb -0.15 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1xs2 s THR 193 CO 0.04 0.00 -0.09 0.68 -0.54 0.00 0.00 174.62 174.71 1xs2 s VAL 194 N -3.33 0.88 -0.30 2.29 -7.23 -1.09 -1.77 120.40 109.84 1xs2 s VAL 194 Ca 0.34 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1xs2 s VAL 194 Cb 0.08 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.69 1xs2 s VAL 194 CO 0.15 -0.59 0.03 -0.62 -0.31 0.00 0.00 175.10 173.76 1xs2 s ASP 195 N -2.48 4.93 0.00 4.85 -1.08 -0.48 -0.77 116.67 121.65 1xs2 s ASP 195 Ca 0.05 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.32 1xs2 s ASP 195 Cb -0.02 -1.78 1.05 0.00 -1.46 0.00 0.00 42.92 40.72 1xs2 s ASP 195 CO -0.01 -0.24 1.75 0.00 0.52 0.00 0.00 175.17 177.20 1xs2 n ALA 196 N 4.73 2.87 -2.39 3.66 0.00 -0.68 -1.47 120.51 127.22 1xs2 n ALA 196 Ca -0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.81 1xs2 n ALA 196 Cb 0.45 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.82 -5.15 -3.77 0.00 5.15 -1.24 -2.23 115.26 107.20 1xs2 n ASN 197 Ca 0.14 0.07 -0.29 0.00 -0.60 0.00 0.00 54.58 53.90 1xs2 n ASN 197 Cb 0.30 -4.32 0.03 0.00 -0.53 0.00 0.00 39.78 35.26 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 -1.91 -5.01 -0.67 1.20 7.64 -0.18 -4.90 113.62 109.79 1xs2 n SER 198 Ca -0.21 -0.68 0.04 0.00 1.01 0.00 0.00 58.87 59.03 1xs2 n SER 198 Cb 0.66 -4.00 0.20 0.00 -1.01 0.00 0.00 64.21 60.05 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 -4.54 3.42 -2.28 -0.43 0.00 -0.95 -4.65 120.51 111.08 1xs2 n ALA 199 Ca 0.03 -2.97 -0.16 0.00 0.00 0.00 0.00 53.44 50.34 1xs2 n ALA 199 Cb 0.54 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.10 1.45 0.21 0.00 1.51 -0.79 -4.57 117.35 112.05 1xs2 s TYR 200 Ca 0.39 -1.32 -0.00 0.00 -1.01 0.00 0.00 57.07 55.13 1xs2 s TYR 200 Cb 0.36 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1xs2 s TYR 200 CO -0.01 -0.51 0.11 0.95 -1.11 0.00 0.00 175.55 174.99 1xs2 s THR 201 N -3.83 0.15 0.54 -0.71 -4.23 -1.26 -4.49 115.64 101.81 1xs2 s THR 201 Ca 0.38 -1.99 0.26 0.00 -1.18 0.00 0.00 61.69 59.15 1xs2 s THR 201 Cb 0.07 -2.47 0.39 0.00 1.34 0.00 0.00 72.50 71.83 1xs2 s THR 201 CO 0.15 -0.06 2.00 -0.07 -0.54 0.00 0.00 174.62 176.10 1xs2 h LEU 202 N 2.60 0.00 -1.01 4.79 3.38 -1.98 0.16 115.31 123.25 1xs2 h LEU 202 Ca -0.36 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.80 1xs2 h LEU 202 Cb 1.24 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.89 1xs2 h LEU 202 CO 0.56 0.00 0.61 0.00 0.09 0.00 0.00 178.44 179.70 1xs2 h ALA 203 N 1.72 1.68 -0.08 1.53 0.00 -2.04 -2.01 119.26 120.06 1xs2 h ALA 203 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xs2 h ALA 203 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xs2 h ALA 203 CO -0.00 -0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 1xs2 n ASP 204 N -4.76 0.46 -0.21 0.00 8.00 0.57 -4.22 116.55 116.38 1xs2 n ASP 204 Ca 0.23 -1.92 0.10 0.00 0.71 0.00 0.00 54.79 53.92 1xs2 n ASP 204 Cb 0.57 -0.05 0.39 0.00 -0.02 0.00 0.00 41.12 42.01 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 3.24 1.84 -0.30 2.24 0.00 -1.45 -1.23 119.26 123.61 1xs2 h ALA 205 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xs2 h ALA 205 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xs2 h ALA 205 CO 0.00 -0.02 0.07 0.78 0.00 0.00 0.00 179.25 180.08 1xs2 h GLY 206 N 0.66 0.52 0.91 0.00 0.00 -1.84 -1.02 103.07 102.30 1xs2 h GLY 206 Ca 0.38 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1xs2 h GLY 206 CO -0.15 0.30 0.08 -0.09 0.00 0.00 0.00 176.54 176.68 1xs2 h ARG 207 N 0.32 0.56 -0.28 4.80 2.43 -1.60 -2.85 114.38 117.76 1xs2 h ARG 207 Ca 0.09 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1xs2 h ARG 207 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1xs2 h ARG 207 CO 0.00 0.62 0.05 -0.07 -1.51 0.00 0.00 179.97 179.06 1xs2 h LEU 208 N 0.41 0.37 -1.53 3.80 3.38 -1.17 -2.02 115.31 118.55 1xs2 h LEU 208 Ca 0.11 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1xs2 h LEU 208 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xs2 h LEU 208 CO 0.00 0.39 -0.22 -0.09 0.09 0.00 0.00 178.44 178.61 1xs2 h ARG 209 N 0.40 0.02 -0.49 1.13 2.43 -0.95 -2.52 114.38 114.40 1xs2 h ARG 209 Ca 0.09 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1xs2 h ARG 209 Cb 0.19 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1xs2 h ARG 209 CO -0.00 0.24 0.33 1.96 -1.51 0.00 0.00 179.97 180.99 1xs2 h GLN 210 N 0.02 0.46 -0.27 0.20 4.20 -1.30 -0.18 115.11 118.24 1xs2 h GLN 210 Ca 0.00 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.76 1xs2 h GLN 210 Cb 0.41 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1xs2 h GLN 210 CO 0.03 0.30 0.35 -0.07 -0.67 0.00 0.00 178.83 178.77 1xs2 h LEU 211 N 0.47 0.00 -1.74 1.46 3.38 -1.55 -3.27 115.31 114.06 1xs2 h LEU 211 Ca 0.21 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1xs2 h LEU 211 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1xs2 h LEU 211 CO -0.05 0.00 0.38 0.44 0.09 0.00 0.00 178.44 179.29 1xs2 h ASP 212 N 0.00 0.26 1.17 -0.43 3.45 -1.18 -2.10 116.42 117.58 1xs2 h ASP 212 Ca 0.13 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1xs2 h ASP 212 Cb 0.82 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1xs2 h ASP 212 CO -0.00 0.15 0.00 -1.84 -1.57 0.00 0.00 179.24 175.98 1xs2 n GLU 213 N -4.45 0.17 -0.28 3.56 0.28 -1.23 -2.98 120.64 115.70 1xs2 n GLU 213 Ca 0.09 0.20 0.04 0.00 -0.16 0.00 0.00 57.16 57.34 1xs2 n GLU 213 Cb 0.42 -1.72 0.16 0.00 1.43 0.00 0.00 31.44 31.72 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 -2.03 0.67 -4.19 -1.84 4.01 -0.79 -4.96 117.16 108.04 1xs2 n TYR 214 Ca 0.05 -0.26 -0.35 0.00 -0.16 0.00 0.00 57.90 57.18 1xs2 n TYR 214 Cb 0.36 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 1xs2 n TYR 214 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1xs2 n ASP 215 N 0.34 -0.66 -4.77 7.72 8.00 -1.16 -4.94 116.55 121.08 1xs2 n ASP 215 Ca 0.11 -1.23 -0.34 0.00 0.71 0.00 0.00 54.79 54.04 1xs2 n ASP 215 Cb 0.48 -1.51 0.03 0.00 -0.02 0.00 0.00 41.12 40.09 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 -7.26 3.56 0.16 0.64 1.43 -1.26 -4.69 118.68 111.26 1xs2 s LEU 216 Ca 0.16 2.12 0.06 0.00 -1.03 0.00 0.00 54.13 55.43 1xs2 s LEU 216 Cb -0.09 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 1xs2 s LEU 216 CO 0.95 -1.48 1.37 0.74 0.23 0.00 0.00 176.35 178.16 1xs2 h THR 217 N 0.58 1.58 -1.68 5.49 2.02 -1.83 -3.44 112.91 115.63 1xs2 h THR 217 Ca -0.48 -2.90 0.26 0.00 0.77 0.00 0.00 66.41 64.06 1xs2 h THR 217 Cb 1.26 2.60 -0.14 0.00 -1.74 0.00 0.00 68.15 70.13 1xs2 h THR 217 CO 0.55 0.83 0.74 -0.72 0.37 0.00 0.00 175.52 177.29 1xs2 s TYR 218 N -3.04 -0.11 -0.19 3.16 -0.85 -1.26 -4.39 117.35 110.68 1xs2 s TYR 218 Ca -0.01 -0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.52 1xs2 s TYR 218 Cb 0.10 0.55 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1xs2 s TYR 218 CO 0.81 -0.37 -0.12 0.42 -1.52 0.00 0.00 175.55 174.77 1xs2 s ILE 219 N -2.63 2.75 -0.22 -3.49 1.01 -0.40 -2.68 121.20 115.55 1xs2 s ILE 219 Ca 0.12 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 1xs2 s ILE 219 Cb 0.02 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1xs2 s ILE 219 CO -0.04 0.49 0.63 -0.70 0.00 0.00 0.00 174.94 175.32 1xs2 s GLU 220 N 1.20 4.17 -1.14 2.79 2.12 0.05 -1.00 118.70 126.90 1xs2 s GLU 220 Ca 0.02 0.59 -0.27 0.00 0.36 0.00 0.00 54.97 55.67 1xs2 s GLU 220 Cb -0.14 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.68 1xs2 s GLU 220 CO -0.05 -0.31 0.68 0.94 -0.54 0.00 0.00 175.26 175.98 1xs2 n GLN 221 N 5.31 -0.56 0.05 4.30 -0.06 0.81 -1.68 117.38 125.54 1xs2 n GLN 221 Ca -0.01 0.24 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1xs2 n GLN 221 Cb 0.49 -2.66 0.31 0.00 -4.06 0.00 0.00 30.24 24.32 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 -2.14 0.40 0.00 3.69 0.13 -1.85 -0.46 132.00 131.76 1xs2 h PRO 222 Ca -0.69 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1xs2 h PRO 222 Cb 1.40 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1xs2 h PRO 222 CO 0.49 0.52 0.00 1.28 -0.23 0.00 0.00 178.00 180.06 1xs2 n LEU 223 N -4.23 0.00 -4.51 1.56 4.77 -1.26 -1.88 117.00 111.45 1xs2 n LEU 223 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1xs2 n LEU 223 Cb 0.30 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1xs2 n LEU 223 CO 0.39 -0.26 0.27 0.00 -1.33 0.00 0.00 177.39 176.46 1xs2 n ALA 224 N -3.00 -1.05 0.28 -1.18 0.00 -1.26 -4.21 120.51 110.09 1xs2 n ALA 224 Ca 0.00 0.26 0.17 0.00 0.00 0.00 0.00 53.44 53.87 1xs2 n ALA 224 Cb 0.00 -1.87 0.80 0.00 0.00 0.00 0.00 19.45 18.38 1xs2 n ALA 224 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xs2 h TRP 225 N 1.24 0.00 -0.30 0.00 5.08 -1.92 -2.41 115.95 117.64 1xs2 h TRP 225 Ca -0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1xs2 h TRP 225 Cb 1.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.54 1xs2 h TRP 225 CO 0.41 0.06 0.00 -0.40 -1.28 0.00 0.00 178.44 177.23 1xs2 n ASP 226 N -3.28 3.69 -4.79 0.11 5.75 -1.26 -1.89 116.55 114.88 1xs2 n ASP 226 Ca -0.01 -2.72 -0.32 0.00 -0.01 0.00 0.00 54.79 51.73 1xs2 n ASP 226 Cb 0.25 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.62 5.70 -0.01 -1.12 2.15 -0.91 -4.91 116.67 115.96 1xs2 s ASP 227 Ca 0.37 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.48 1xs2 s ASP 227 Cb 0.28 -1.63 -0.00 0.00 -0.30 0.00 0.00 42.92 41.27 1xs2 s ASP 227 CO 0.11 0.24 -0.01 0.18 -0.17 0.00 0.00 175.17 175.53 1xs2 n LEU 228 N 0.96 2.75 -0.21 -1.34 4.77 -1.26 -4.76 117.00 117.92 1xs2 n LEU 228 Ca -0.11 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 1xs2 n LEU 228 Cb 0.52 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1xs2 n LEU 228 CO 0.40 0.47 1.01 0.58 -1.33 0.00 0.00 177.39 178.52 1xs2 h VAL 229 N -0.00 1.21 -0.14 4.08 2.07 -1.99 -1.89 116.25 119.59 1xs2 h VAL 229 Ca -0.01 -0.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1xs2 h VAL 229 Cb 1.02 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1xs2 h VAL 229 CO -0.00 0.24 -0.51 0.44 0.02 0.00 0.00 177.57 177.76 1xs2 h ASP 230 N 0.79 0.41 -0.33 0.57 3.32 -2.00 -2.69 116.42 116.49 1xs2 h ASP 230 Ca 0.20 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xs2 h ASP 230 Cb 0.13 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1xs2 h ASP 230 CO -0.02 0.85 0.21 0.45 -1.72 0.00 0.00 179.24 179.01 1xs2 h HIS 231 N 0.30 0.42 -0.90 4.55 3.86 -1.74 0.13 115.15 121.77 1xs2 h HIS 231 Ca 0.01 0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.38 1xs2 h HIS 231 Cb 1.00 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 29.25 1xs2 h HIS 231 CO 0.03 0.28 0.58 0.00 0.86 0.00 0.00 177.93 179.68 1xs2 h ALA 232 N 1.11 1.85 0.02 2.45 0.00 -1.18 0.13 119.26 123.64 1xs2 h ALA 232 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xs2 h ALA 232 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xs2 h ALA 232 CO -0.03 -0.11 -0.01 1.49 0.00 0.00 0.00 179.25 180.60 1xs2 h GLU 233 N 0.67 -0.02 -0.79 0.00 4.57 -1.10 -3.07 114.58 114.84 1xs2 h GLU 233 Ca 0.46 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.78 1xs2 h GLU 233 Cb 0.78 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.32 1xs2 h GLU 233 CO -0.22 0.67 0.52 1.25 -1.18 0.00 0.00 179.01 180.05 1xs2 h LEU 234 N -0.74 0.48 -1.38 1.64 5.85 -0.49 -1.07 115.31 119.60 1xs2 h LEU 234 Ca -0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1xs2 h LEU 234 Cb 0.70 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1xs2 h LEU 234 CO 0.00 0.25 -0.31 0.00 -0.34 0.00 0.00 178.44 178.04 1xs2 h ALA 235 N 1.63 1.43 0.00 1.25 0.00 -0.76 -2.04 119.26 120.76 1xs2 h ALA 235 Ca 0.39 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xs2 h ALA 235 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xs2 h ALA 235 CO -0.14 0.39 -0.17 0.00 0.00 0.00 0.00 179.25 179.32 1xs2 h ARG 236 N 0.00 0.00 0.00 0.00 3.08 -1.10 -3.30 114.38 113.06 1xs2 h ARG 236 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1xs2 h ARG 236 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1xs2 h ARG 236 CO 0.04 0.17 -1.43 0.54 -1.07 0.00 0.00 179.97 178.23 1xs2 n ARG 237 N -3.30 0.63 -4.39 0.04 1.74 -0.80 -4.95 116.66 105.63 1xs2 n ARG 237 Ca 0.01 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 1xs2 n ARG 237 Cb 0.42 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.37 2.02 -0.15 0.55 -4.36 -1.02 -4.94 121.20 109.94 1xs2 s ILE 238 Ca -0.04 -2.19 0.18 0.00 -0.26 0.00 0.00 60.65 58.35 1xs2 s ILE 238 Cb 0.11 -2.08 -0.11 0.00 1.25 0.00 0.00 42.46 41.63 1xs2 s ILE 238 CO 0.84 -0.44 0.84 0.54 0.24 0.00 0.00 174.94 176.96 1xs2 n ARG 239 N -0.25 0.62 -2.06 0.37 5.12 -1.26 -4.81 116.66 114.39 1xs2 n ARG 239 Ca -0.09 0.18 -0.42 0.00 -1.93 0.00 0.00 57.85 55.59 1xs2 n ARG 239 Cb 0.59 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1xs2 n ARG 239 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1xs2 s THR 240 N -3.04 3.59 0.41 0.55 2.01 -1.26 -4.96 115.64 112.94 1xs2 s THR 240 Ca -0.03 0.80 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 1xs2 s THR 240 Cb 0.09 -3.51 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 1xs2 s THR 240 CO 0.81 -0.05 0.83 -2.65 -0.69 0.00 0.00 174.62 172.87 1xs2 n PRO 241 N 6.69 1.02 -3.85 4.92 -0.02 -1.26 -4.78 135.00 137.72 1xs2 n PRO 241 Ca 0.16 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 1xs2 n PRO 241 Cb 0.43 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.39 4.38 -0.16 2.45 1.43 -1.26 -1.27 118.68 124.64 1xs2 s LEU 242 Ca 0.63 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1xs2 s LEU 242 Cb -0.59 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1xs2 s LEU 242 CO 0.57 0.30 -0.12 0.00 0.23 0.00 0.00 176.35 177.34 1xs2 s LEU 244 N 0.78 4.24 0.00 0.00 1.43 -0.62 -0.13 118.68 124.37 1xs2 s LEU 244 Ca -0.05 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1xs2 s LEU 244 Cb -0.15 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1xs2 s LEU 244 CO 0.01 -0.00 0.00 -0.67 0.23 0.00 0.00 176.35 175.92 1xs2 n ASP 245 N 0.25 0.00 0.23 2.29 -0.08 -1.26 -0.65 116.55 117.33 1xs2 n ASP 245 Ca -0.02 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.33 1xs2 n ASP 245 Cb 0.52 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.51 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 0.00 -0.67 3.07 -1.90 -2.89 114.58 112.19 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 -4.13 0.00 -4.11 1.42 3.41 -0.79 -4.43 113.62 104.98 1xs2 n SER 247 Ca -0.02 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.40 1xs2 n SER 247 Cb 0.27 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.73 3.04 -0.65 -3.33 1.01 -1.09 -4.90 120.40 111.75 1xs2 s VAL 248 Ca 0.17 -1.98 0.07 0.00 0.00 0.00 0.00 61.98 60.25 1xs2 s VAL 248 Cb 0.14 -3.04 0.19 0.00 0.00 0.00 0.00 36.38 33.67 1xs2 s VAL 248 CO 0.35 -0.56 1.13 0.00 0.00 0.00 0.00 175.10 176.03 1xs2 n ALA 249 N 4.53 2.15 -3.78 5.51 0.00 -1.26 -4.77 120.51 122.89 1xs2 n ALA 249 Ca -0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.33 1xs2 n ALA 249 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.96 -0.16 0.26 0.00 1.04 -1.26 -4.36 113.70 108.26 1xs2 s SER 250 Ca 0.15 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.09 1xs2 s SER 250 Cb 0.08 0.53 0.34 0.00 0.10 0.00 0.00 66.02 67.07 1xs2 s SER 250 CO 0.10 -1.00 1.70 0.00 0.98 0.00 0.00 173.24 175.03 1xs2 h ALA 251 N 2.00 1.04 -0.04 5.32 0.00 -1.90 -2.28 119.26 123.39 1xs2 h ALA 251 Ca -0.24 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 1xs2 h ALA 251 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xs2 h ALA 251 CO 0.27 0.58 -0.38 0.66 0.00 0.00 0.00 179.25 180.37 1xs2 h SER 252 N 0.54 0.09 -0.37 0.00 4.64 -1.96 -1.21 113.55 115.28 1xs2 h SER 252 Ca 0.08 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1xs2 h SER 252 Cb 0.65 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1xs2 h SER 252 CO 0.05 0.47 0.11 0.44 -0.87 0.00 0.00 176.83 177.02 1xs2 h ASP 253 N 0.08 0.55 -0.59 4.97 3.32 -1.88 -1.65 116.42 121.23 1xs2 h ASP 253 Ca 0.01 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1xs2 h ASP 253 Cb 0.71 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1xs2 h ASP 253 CO 0.05 0.62 0.32 0.00 -1.72 0.00 0.00 179.24 178.52 1xs2 h ALA 254 N 0.95 0.77 -0.22 3.45 0.00 -1.21 0.43 119.26 123.43 1xs2 h ALA 254 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xs2 h ALA 254 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xs2 h ALA 254 CO -0.00 0.01 0.12 -0.09 0.00 0.00 0.00 179.25 179.29 1xs2 h ARG 255 N 0.62 0.25 -0.46 0.00 1.12 -1.09 -1.49 114.38 113.33 1xs2 h ARG 255 Ca 0.25 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 59.04 1xs2 h ARG 255 Cb 0.12 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 1xs2 h ARG 255 CO -0.15 0.17 0.00 0.87 -3.11 0.00 0.00 179.97 177.75 1xs2 h LYS 256 N 0.26 0.81 -0.40 0.20 1.57 -0.87 0.57 116.57 118.71 1xs2 h LYS 256 Ca 0.09 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1xs2 h LYS 256 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xs2 h LYS 256 CO -0.05 0.87 0.25 0.00 -0.57 0.00 0.00 179.45 179.95 1xs2 h ALA 257 N 0.92 0.50 -0.02 3.86 0.00 -0.81 -0.81 119.26 122.89 1xs2 h ALA 257 Ca 0.13 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1xs2 h ALA 257 Cb 0.50 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xs2 h ALA 257 CO 0.02 -0.01 -0.93 -0.07 0.00 0.00 0.00 179.25 178.26 1xs2 h LEU 258 N 0.53 0.65 -1.23 0.00 3.38 -1.10 0.58 115.31 118.12 1xs2 h LEU 258 Ca 0.14 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1xs2 h LEU 258 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xs2 h LEU 258 CO -0.03 1.29 -0.25 0.00 0.09 0.00 0.00 178.44 179.55 1xs2 h ALA 259 N 0.67 1.36 0.00 1.53 0.00 -0.75 -2.57 119.26 119.49 1xs2 h ALA 259 Ca -0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1xs2 h ALA 259 Cb 1.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1xs2 h ALA 259 CO 0.17 0.45 -0.30 -0.07 0.00 0.00 0.00 179.25 179.49 1xs2 h LEU 260 N 0.20 0.00 0.00 0.00 3.38 -1.05 -3.48 115.31 114.36 1xs2 h LEU 260 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xs2 h LEU 260 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xs2 h LEU 260 CO 0.04 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1xs2 n GLY 261 N 0.84 0.62 0.23 0.83 0.00 -0.88 -4.83 105.19 101.99 1xs2 n GLY 261 Ca 0.02 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 1.00 -2.24 4.61 0.00 -1.17 -3.37 119.26 118.09 1xs2 h ALA 262 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1xs2 h ALA 262 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 1xs2 h ALA 262 CO 0.00 0.00 0.51 0.20 0.00 0.00 0.00 179.25 179.96 1xs2 s GLY 263 N -4.07 -0.36 0.00 0.00 0.00 -1.26 -4.29 107.32 97.35 1xs2 s GLY 263 Ca 0.04 0.65 0.10 0.00 0.00 0.00 0.00 44.72 45.51 1xs2 s GLY 263 CO 0.58 0.19 0.98 0.61 0.00 0.00 0.00 173.10 175.46 1xs2 n GLY 264 N -0.34 0.79 3.26 0.20 0.00 -0.60 -4.71 105.19 103.79 1xs2 n GLY 264 Ca -0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.90 0.02 -0.11 1.61 1.01 -1.15 -4.05 120.40 116.83 1xs2 s VAL 265 Ca 0.15 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1xs2 s VAL 265 Cb 0.09 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1xs2 s VAL 265 CO 0.13 -0.07 -0.18 -0.63 0.00 0.00 0.00 175.10 174.35 1xs2 s ILE 266 N -0.27 1.67 -0.52 2.22 1.01 -1.07 -1.59 121.20 122.66 1xs2 s ILE 266 Ca -0.04 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 1xs2 s ILE 266 Cb -0.03 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.97 1xs2 s ILE 266 CO 0.02 0.48 1.12 0.21 0.00 0.00 0.00 174.94 176.76 1xs2 s ASN 267 N 0.77 6.53 -0.42 3.58 3.04 0.18 -1.84 114.94 126.78 1xs2 s ASN 267 Ca -0.10 0.24 -0.15 0.00 0.04 0.00 0.00 52.86 52.89 1xs2 s ASN 267 Cb -0.16 -2.53 0.03 0.00 -1.54 0.00 0.00 41.25 37.05 1xs2 s ASN 267 CO 0.01 -1.31 0.33 -0.22 -3.04 0.00 0.00 177.10 172.88 1xs2 s LEU 268 N 4.51 5.14 -0.36 3.21 2.96 0.06 -4.58 118.68 129.62 1xs2 s LEU 268 Ca 0.44 -0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 1xs2 s LEU 268 Cb -0.08 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.44 1xs2 s LEU 268 CO 0.28 -0.50 0.18 -0.54 -1.32 0.00 0.00 176.35 174.46 1xs2 s LYS 269 N 1.74 2.84 0.28 1.98 1.02 -1.26 -2.26 119.74 124.08 1xs2 s LYS 269 Ca 0.06 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 55.01 1xs2 s LYS 269 Cb -0.19 -3.66 0.66 0.00 -0.52 0.00 0.00 37.83 34.12 1xs2 s LYS 269 CO 0.10 -0.66 1.73 -0.24 -0.92 0.00 0.00 175.35 175.36 1xs2 h VAL 270 N 5.91 0.58 0.00 3.17 3.04 -1.89 -1.07 116.25 125.99 1xs2 h VAL 270 Ca -0.26 -0.17 -0.18 0.00 -1.01 0.00 0.00 66.70 65.07 1xs2 h VAL 270 Cb 1.10 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 1xs2 h VAL 270 CO 0.65 0.09 -0.88 0.00 -1.01 0.00 0.00 177.57 176.42 1xs2 h ALA 271 N 1.65 0.47 -0.28 3.17 0.00 -1.94 -0.22 119.26 122.10 1xs2 h ALA 271 Ca 0.53 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1xs2 h ALA 271 Cb 0.91 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xs2 h ALA 271 CO -0.46 1.10 -0.04 -0.09 0.00 0.00 0.00 179.25 179.76 1xs2 h ARG 272 N 0.00 0.44 -0.29 0.00 2.43 -1.53 -2.07 114.38 113.35 1xs2 h ARG 272 Ca -0.01 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1xs2 h ARG 272 Cb 1.64 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1xs2 h ARG 272 CO 0.11 0.50 0.00 1.33 -1.51 0.00 0.00 179.97 180.41 1xs2 n VAL 273 N -4.28 0.38 -0.41 0.20 0.24 -1.07 -4.72 118.33 108.67 1xs2 n VAL 273 Ca 0.01 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1xs2 n VAL 273 Cb 0.25 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 1.27 0.78 0.00 7.63 0.00 -0.78 -4.72 105.19 109.36 1xs2 n GLY 274 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.34 0.68 0.06 -0.02 0.00 -0.11 -3.89 105.19 99.57 1xs2 n GLY 275 Ca 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 0.03 -0.19 1.61 3.86 -1.90 -0.82 115.15 117.74 1xs2 h HIS 276 Ca 0.00 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1xs2 h HIS 276 Cb 0.00 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1xs2 h HIS 276 CO 0.00 0.47 0.05 0.00 0.86 0.00 0.00 177.93 179.31 1xs2 h ALA 277 N 0.55 0.20 -0.10 2.45 0.00 -1.95 0.11 119.26 120.52 1xs2 h ALA 277 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xs2 h ALA 277 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xs2 h ALA 277 CO 0.00 -0.38 -0.37 1.49 0.00 0.00 0.00 179.25 179.99 1xs2 h GLU 278 N 0.13 0.21 -0.56 0.00 4.57 -1.87 -1.78 114.58 115.27 1xs2 h GLU 278 Ca 0.08 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1xs2 h GLU 278 Cb 0.06 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1xs2 h GLU 278 CO -0.10 0.56 0.05 0.77 -1.18 0.00 0.00 179.01 179.11 1xs2 h SER 279 N 0.18 0.93 -0.49 1.04 0.02 -0.42 1.00 113.55 115.81 1xs2 h SER 279 Ca 0.02 -0.28 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1xs2 h SER 279 Cb 0.75 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1xs2 h SER 279 CO 0.06 0.98 0.05 -0.09 -1.14 0.00 0.00 176.83 176.68 1xs2 h ARG 280 N 0.85 0.16 -0.55 3.45 2.43 -0.25 -0.02 114.38 120.45 1xs2 h ARG 280 Ca 0.17 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1xs2 h ARG 280 Cb 0.47 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1xs2 h ARG 280 CO 0.02 0.11 0.17 0.00 -1.51 0.00 0.00 179.97 178.76 1xs2 h ARG 281 N 0.17 0.86 -0.52 0.20 3.08 -0.81 0.15 114.38 117.51 1xs2 h ARG 281 Ca 0.24 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1xs2 h ARG 281 Cb 0.35 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1xs2 h ARG 281 CO -0.36 0.78 0.23 0.28 -1.07 0.00 0.00 179.97 179.82 1xs2 h VAL 282 N 0.77 0.89 -0.75 2.04 2.07 -0.41 0.76 116.25 121.62 1xs2 h VAL 282 Ca 0.18 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1xs2 h VAL 282 Cb 0.28 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1xs2 h VAL 282 CO -0.01 0.08 0.50 -0.74 0.02 0.00 0.00 177.57 177.42 1xs2 h HIS 283 N 0.44 0.94 0.05 1.57 -0.00 0.11 -0.41 115.15 117.85 1xs2 h HIS 283 Ca 0.24 0.02 -0.23 0.00 -0.00 0.00 0.00 60.37 60.40 1xs2 h HIS 283 Cb 0.21 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1xs2 h HIS 283 CO -0.13 0.59 -1.07 -0.44 -0.00 0.00 0.00 177.93 176.88 1xs2 h ASP 284 N 1.01 0.21 -0.48 3.26 3.32 0.12 -2.01 116.42 121.86 1xs2 h ASP 284 Ca 0.28 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1xs2 h ASP 284 Cb -0.10 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1xs2 h ASP 284 CO -0.07 1.14 0.15 0.58 -1.72 0.00 0.00 179.24 179.32 1xs2 h VAL 285 N 0.05 1.23 0.20 -1.35 2.07 -0.51 -0.78 116.25 117.16 1xs2 h VAL 285 Ca -0.06 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1xs2 h VAL 285 Cb 1.79 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1xs2 h VAL 285 CO 0.16 0.28 -0.16 0.00 0.02 0.00 0.00 177.57 177.86 1xs2 h ALA 286 N 1.01 -0.36 -1.01 1.67 0.00 -0.99 -2.62 119.26 116.96 1xs2 h ALA 286 Ca 0.16 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1xs2 h ALA 286 Cb 0.27 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1xs2 h ALA 286 CO -0.01 -0.72 0.64 0.37 0.00 0.00 0.00 179.25 179.54 1xs2 h GLN 287 N -0.38 1.04 0.00 0.00 4.15 -1.21 0.15 115.11 118.86 1xs2 h GLN 287 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1xs2 h GLN 287 Cb 0.34 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1xs2 h GLN 287 CO -0.02 0.69 0.00 0.66 -1.93 0.00 0.00 178.83 178.23 1xs2 h SER 288 N 1.07 0.00 -0.05 -0.69 4.64 -0.78 0.02 113.55 117.75 1xs2 h SER 288 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1xs2 h SER 288 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xs2 h SER 288 CO -0.23 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.22 1xs2 n PHE 289 N -2.77 0.04 -1.58 4.77 3.01 0.44 -4.96 117.46 116.41 1xs2 n PHE 289 Ca -0.01 -0.02 -0.09 0.00 1.01 0.00 0.00 57.45 58.34 1xs2 n PHE 289 Cb 0.12 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1xs2 n PHE 289 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xs2 n GLY 290 N 1.20 0.69 3.62 1.37 0.00 -0.01 -5.02 105.19 107.03 1xs2 n GLY 290 Ca 0.13 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.37 3.38 0.64 4.61 0.00 -0.66 -4.99 121.76 122.38 1xs2 s ALA 291 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1xs2 s ALA 291 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 1xs2 s ALA 291 CO 0.00 0.12 1.04 -1.25 0.00 0.00 0.00 175.76 175.67 1xs2 s PRO 292 N 0.47 3.40 0.29 0.00 0.04 -1.26 -3.35 135.00 134.59 1xs2 s PRO 292 Ca 0.03 0.81 0.10 0.00 0.04 0.00 0.00 61.00 61.98 1xs2 s PRO 292 Cb -0.13 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1xs2 s PRO 292 CO 0.01 -0.73 -0.07 0.14 0.04 0.00 0.00 177.00 176.39 1xs2 s VAL 293 N -3.14 2.91 0.04 -0.36 -7.23 -0.57 -2.59 120.40 109.47 1xs2 s VAL 293 Ca 0.56 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1xs2 s VAL 293 Cb -0.12 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1xs2 s VAL 293 CO 0.54 -0.34 0.01 -1.66 -0.31 0.00 0.00 175.10 173.34 1xs2 s TRP 294 N -2.44 0.38 -0.34 2.82 1.48 -0.77 -2.85 118.94 117.23 1xs2 s TRP 294 Ca 0.32 -0.81 -0.22 0.00 -1.06 0.00 0.00 56.10 54.33 1xs2 s TRP 294 Cb -0.04 -0.28 0.00 0.00 -1.16 0.00 0.00 33.47 31.99 1xs2 s TRP 294 CO 0.18 -0.35 0.71 0.00 -4.06 0.00 0.00 176.95 173.44 1xs2 s GLY 296 N 1.75 1.61 0.28 0.00 0.00 -0.96 -0.67 107.32 109.32 1xs2 s GLY 296 Ca 0.28 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.79 1xs2 s GLY 296 CO 0.14 -0.02 -0.07 -0.32 0.00 0.00 0.00 173.10 172.84 1xs2 s GLY 297 N -4.20 1.82 -0.42 0.20 0.00 -1.26 -4.76 107.32 98.70 1xs2 s GLY 297 Ca 0.53 -1.89 0.08 0.00 0.00 0.00 0.00 44.72 43.44 1xs2 s GLY 297 CO 0.51 -1.84 1.11 -0.13 0.00 0.00 0.00 173.10 172.75 1xs2 n MET 298 N -0.58 1.07 -3.48 2.90 1.56 -1.26 -5.00 117.12 112.33 1xs2 n MET 298 Ca -0.06 -2.20 -0.25 0.00 -0.27 0.00 0.00 57.70 54.93 1xs2 n MET 298 Cb 0.63 -0.90 0.05 0.00 2.15 0.00 0.00 33.22 35.16 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 0.08 -2.90 -4.77 -0.89 7.99 -1.26 -4.90 117.00 110.34 1xs2 n LEU 299 Ca 0.07 -0.50 -0.38 0.00 -0.01 0.00 0.00 56.01 55.19 1xs2 n LEU 299 Cb 0.74 -2.87 -0.04 0.00 -0.11 0.00 0.00 43.42 41.15 1xs2 n LEU 299 CO 0.05 0.47 0.77 -1.61 -1.51 0.00 0.00 177.39 175.55 1xs2 s GLU 300 N -6.18 4.21 1.40 3.23 8.01 -1.26 -5.04 118.70 123.07 1xs2 s GLU 300 Ca 0.51 1.63 -0.22 0.00 0.01 0.00 0.00 54.97 56.90 1xs2 s GLU 300 Cb -0.24 -2.68 0.36 0.00 -4.31 0.00 0.00 34.13 27.27 1xs2 s GLU 300 CO 0.63 -0.13 0.94 -1.54 0.01 0.00 0.00 175.26 175.17 1xs2 s SER 301 N -1.36 -0.92 0.45 -0.19 1.04 -1.26 -4.67 113.70 106.80 1xs2 s SER 301 Ca 0.55 0.92 0.23 0.00 0.48 0.00 0.00 55.95 58.13 1xs2 s SER 301 Cb -0.26 -1.32 1.07 0.00 0.10 0.00 0.00 66.02 65.61 1xs2 s SER 301 CO 0.32 -5.28 1.91 1.23 0.98 0.00 0.00 173.24 172.40 1xs2 h GLY 302 N -3.37 0.00 0.39 7.32 0.00 -1.95 0.15 103.07 105.62 1xs2 h GLY 302 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1xs2 h GLY 302 CO 0.30 0.00 -0.28 -2.22 0.00 0.00 0.00 176.54 174.34 1xs2 h ILE 303 N 0.00 0.00 -0.66 2.60 1.08 -1.94 -0.52 117.51 118.07 1xs2 h ILE 303 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1xs2 h ILE 303 Cb 0.59 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.30 1xs2 h ILE 303 CO 0.03 0.00 0.44 1.23 -0.69 0.00 0.00 178.15 179.16 1xs2 h GLY 304 N -0.64 0.89 1.23 5.37 0.00 -1.84 -2.29 103.07 105.78 1xs2 h GLY 304 Ca -0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1xs2 h GLY 304 CO 0.03 0.26 0.08 -0.09 0.00 0.00 0.00 176.54 176.81 1xs2 h ARG 305 N 0.76 0.94 -0.41 4.80 2.43 -0.96 -2.15 114.38 119.80 1xs2 h ARG 305 Ca 0.27 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1xs2 h ARG 305 Cb 0.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1xs2 h ARG 305 CO -0.08 0.88 0.03 0.00 -1.51 0.00 0.00 179.97 179.29 1xs2 h ALA 306 N 1.19 0.55 -0.50 2.80 0.00 -0.62 -1.17 119.26 121.51 1xs2 h ALA 306 Ca 0.18 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xs2 h ALA 306 Cb 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1xs2 h ALA 306 CO 0.01 0.31 0.29 0.45 0.00 0.00 0.00 179.25 180.30 1xs2 h HIS 307 N 0.54 0.53 -0.07 0.00 3.86 -1.32 -1.82 115.15 116.87 1xs2 h HIS 307 Ca 0.12 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1xs2 h HIS 307 Cb 0.44 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1xs2 h HIS 307 CO 0.03 0.29 0.01 -0.91 0.86 0.00 0.00 177.93 178.21 1xs2 h ASN 308 N 0.57 -0.01 -0.45 2.45 2.35 -1.21 -1.58 115.58 117.70 1xs2 h ASN 308 Ca 0.21 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1xs2 h ASN 308 Cb 0.05 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1xs2 h ASN 308 CO -0.11 0.01 0.21 0.40 -1.65 0.00 0.00 177.43 176.29 1xs2 h ILE 309 N 0.04 0.93 -0.39 2.81 2.04 -1.04 0.80 117.51 122.70 1xs2 h ILE 309 Ca 0.03 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1xs2 h ILE 309 Cb 0.03 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1xs2 h ILE 309 CO -0.05 0.08 0.20 0.45 0.00 0.00 0.00 178.15 178.82 1xs2 h HIS 310 N 0.41 0.56 -0.89 1.37 3.86 -1.09 -2.23 115.15 117.14 1xs2 h HIS 310 Ca 0.20 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1xs2 h HIS 310 Cb 0.13 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.37 1xs2 h HIS 310 CO -0.12 0.45 0.56 1.25 0.86 0.00 0.00 177.93 180.94 1xs2 h LEU 311 N 0.50 0.90 -0.03 2.43 5.85 -1.07 -2.64 115.31 121.25 1xs2 h LEU 311 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xs2 h LEU 311 Cb 0.10 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1xs2 h LEU 311 CO -0.02 0.59 0.00 -1.20 -0.34 0.00 0.00 178.44 177.47 1xs2 n SER 312 N -4.57 0.01 0.00 1.25 7.64 0.26 -2.13 113.62 116.08 1xs2 n SER 312 Ca 0.12 0.51 0.13 0.00 1.01 0.00 0.00 58.87 60.64 1xs2 n SER 312 Cb 0.15 -0.51 0.66 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.52 0.16 -1.83 0.44 -2.24 -1.00 -4.73 114.28 103.56 1xs2 n THR 313 Ca 0.01 0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 1xs2 n THR 313 Cb 0.04 -0.62 0.03 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.52 3.35 0.46 3.22 1.02 -0.91 -3.61 118.68 119.69 1xs2 s LEU 314 Ca 0.26 1.75 0.25 0.00 0.02 0.00 0.00 54.13 56.41 1xs2 s LEU 314 Cb 0.17 -4.52 0.62 0.00 0.02 0.00 0.00 46.19 42.49 1xs2 s LEU 314 CO 0.38 -1.32 1.71 0.77 0.02 0.00 0.00 176.35 177.91 1xs2 h SER 315 N -0.05 0.00 -0.28 2.29 4.64 -1.89 -2.74 113.55 115.52 1xs2 h SER 315 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xs2 h SER 315 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1xs2 h SER 315 CO 0.57 0.04 0.00 -3.20 -0.87 0.00 0.00 176.83 173.36 1xs2 n ASN 316 N -3.12 1.83 -4.46 4.97 5.15 -1.26 -4.40 115.26 113.98 1xs2 n ASN 316 Ca 0.03 -1.87 -0.43 0.00 -0.60 0.00 0.00 54.58 51.70 1xs2 n ASN 316 Cb 0.48 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 1xs2 n ASN 316 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1xs2 n PHE 317 N 0.46 4.69 0.81 1.20 3.01 -1.03 -1.51 117.46 125.10 1xs2 n PHE 317 Ca 0.14 -3.08 0.09 0.00 1.01 0.00 0.00 57.45 55.61 1xs2 n PHE 317 Cb 0.32 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.39 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 6.87 1.53 -4.56 -1.08 1.74 -1.13 -4.89 116.66 115.14 1xs2 n ARG 318 Ca 0.43 -0.94 -0.29 0.00 -0.77 0.00 0.00 57.85 56.28 1xs2 n ARG 318 Cb 0.44 -1.35 -0.14 0.00 -1.02 0.00 0.00 32.46 30.39 1xs2 n ARG 318 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xs2 s LEU 319 N -2.14 2.27 0.48 0.55 1.43 -1.23 -5.05 118.68 114.98 1xs2 s LEU 319 Ca 0.16 -0.69 -0.24 0.00 -1.03 0.00 0.00 54.13 52.32 1xs2 s LEU 319 Cb 0.15 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 1xs2 s LEU 319 CO 0.44 0.20 1.36 -2.84 0.23 0.00 0.00 176.35 175.75 1xs2 s PRO 320 N -1.77 3.56 0.35 1.29 0.02 -1.26 -4.57 135.00 132.60 1xs2 s PRO 320 Ca 0.13 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.45 1xs2 s PRO 320 Cb -0.10 -2.52 -0.01 0.00 0.02 0.00 0.00 34.50 31.89 1xs2 s PRO 320 CO 0.05 -0.86 0.50 0.20 -0.33 0.00 0.00 177.00 176.56 1xs2 s GLY 321 N -0.77 1.51 -0.10 0.52 0.00 -0.92 -4.58 107.32 102.97 1xs2 s GLY 321 Ca 0.64 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1xs2 s GLY 321 CO 0.50 -1.21 1.26 1.22 0.00 0.00 0.00 173.10 174.88 1xs2 n ASP 322 N -1.71 3.39 -3.14 1.64 8.00 0.15 -0.64 116.55 124.24 1xs2 n ASP 322 Ca -0.02 -2.37 -0.37 0.00 0.71 0.00 0.00 54.79 52.74 1xs2 n ASP 322 Cb 0.58 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1xs2 n ASP 322 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xs2 n THR 323 N 0.22 4.57 -1.09 -3.53 -1.04 -1.26 -4.48 114.28 107.67 1xs2 n THR 323 Ca 0.13 -4.50 -0.10 0.00 -2.04 0.00 0.00 64.05 57.54 1xs2 n THR 323 Cb 0.73 -1.56 0.08 0.00 -1.82 0.00 0.00 70.33 67.75 1xs2 n THR 323 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xs2 n SER 324 N 0.33 -0.48 -4.77 8.00 3.41 -1.26 -4.93 113.62 113.92 1xs2 n SER 324 Ca 0.52 -1.01 -0.39 0.00 -0.26 0.00 0.00 58.87 57.73 1xs2 n SER 324 Cb 0.31 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1xs2 n SER 324 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xs2 s SER 325 N -2.63 6.46 0.19 4.04 0.01 -1.26 -4.87 113.70 115.64 1xs2 s SER 325 Ca 0.26 2.60 -0.09 0.00 1.31 0.00 0.00 55.95 60.03 1xs2 s SER 325 Cb -0.01 -2.64 0.10 0.00 0.21 0.00 0.00 66.02 63.68 1xs2 s SER 325 CO 0.18 -0.74 1.70 0.00 0.41 0.00 0.00 173.24 174.79 1xs2 h ALA 326 N 2.84 0.90 0.00 1.44 0.00 -1.63 -2.52 119.26 120.29 1xs2 h ALA 326 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1xs2 h ALA 326 Cb 1.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xs2 h ALA 326 CO 0.63 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 179.40 1xs2 n SER 327 N -4.24 0.11 0.23 0.00 3.41 -1.26 -0.83 113.62 111.04 1xs2 n SER 327 Ca 0.05 0.54 0.16 0.00 -0.26 0.00 0.00 58.87 59.35 1xs2 n SER 327 Cb 0.28 -0.56 0.63 0.00 -0.26 0.00 0.00 64.21 64.30 1xs2 n SER 327 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1xs2 h ARG 328 N 0.00 0.00 0.00 4.33 3.08 -1.83 -3.39 114.38 116.57 1xs2 h ARG 328 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1xs2 h ARG 328 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xs2 h ARG 328 CO 0.00 0.00 -1.26 0.66 -1.07 0.00 0.00 179.97 178.30 1xs2 n TYR 329 N -2.83 0.00 -5.18 3.04 4.02 -0.01 -4.88 117.16 111.31 1xs2 n TYR 329 Ca 0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.58 1xs2 n TYR 329 Cb 0.28 -0.17 -0.16 0.00 -0.02 0.00 0.00 39.34 39.28 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 -2.09 2.49 0.40 -0.72 0.52 -1.06 -3.07 118.94 115.42 1xs2 s TRP 330 Ca -0.06 -0.60 0.07 0.00 0.02 0.00 0.00 56.10 55.52 1xs2 s TRP 330 Cb 0.02 -1.61 0.83 0.00 -1.15 0.00 0.00 33.47 31.57 1xs2 s TRP 330 CO 0.09 -0.14 2.04 0.93 0.02 0.00 0.00 176.95 179.89 1xs2 h GLU 331 N 5.93 0.53 -2.74 4.98 5.08 -1.86 -3.41 114.58 123.10 1xs2 h GLU 331 Ca -0.35 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.81 1xs2 h GLU 331 Cb 1.17 -0.12 -0.29 0.00 0.50 0.00 0.00 28.75 30.01 1xs2 h GLU 331 CO 0.48 0.38 -0.43 0.50 -1.00 0.00 0.00 179.01 178.94 1xs2 s ARG 332 N -5.43 0.25 0.68 2.33 3.52 -1.26 -5.07 118.95 113.97 1xs2 s ARG 332 Ca -0.08 0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 56.25 1xs2 s ARG 332 Cb 0.17 0.07 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 1xs2 s ARG 332 CO 0.73 -0.23 1.01 0.34 -0.81 0.00 0.00 175.30 176.34 1xs2 s ASP 333 N 2.12 5.19 0.00 -2.12 -1.08 -1.26 -4.97 116.67 114.55 1xs2 s ASP 333 Ca -0.03 0.74 0.28 0.00 -0.52 0.00 0.00 52.55 53.01 1xs2 s ASP 333 Cb -0.11 -1.52 1.36 0.00 -1.46 0.00 0.00 42.92 41.19 1xs2 s ASP 333 CO -0.11 -1.39 1.94 0.18 0.52 0.00 0.00 175.17 176.31 1xs2 n LEU 334 N -2.87 0.00 -4.75 -1.34 4.77 -1.26 -4.86 117.00 106.69 1xs2 n LEU 334 Ca 0.07 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.12 1xs2 n LEU 334 Cb 0.59 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1xs2 n LEU 334 CO 0.54 -0.03 -0.16 0.27 -1.33 0.00 0.00 177.39 176.68 1xs2 s ILE 335 N -2.63 2.67 0.14 -0.08 -4.36 -1.26 -0.57 121.20 115.11 1xs2 s ILE 335 Ca 0.24 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 1xs2 s ILE 335 Cb 0.18 -2.98 -0.18 0.00 1.25 0.00 0.00 42.46 40.73 1xs2 s ILE 335 CO 0.43 -0.09 1.32 1.56 0.24 0.00 0.00 174.94 178.40 1xs2 h GLN 336 N 1.45 0.22 -6.44 0.37 4.20 -1.54 -3.43 115.11 109.94 1xs2 h GLN 336 Ca -0.43 -0.27 -0.54 0.00 0.06 0.00 0.00 58.65 57.48 1xs2 h GLN 336 Cb 1.25 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 1xs2 h GLN 336 CO 0.65 1.02 -0.03 -1.21 -0.67 0.00 0.00 178.83 178.59 1xs2 s GLU 337 N -3.07 4.00 0.23 1.46 8.01 -1.26 -5.05 118.70 123.01 1xs2 s GLU 337 Ca -0.03 0.54 -0.25 0.00 0.01 0.00 0.00 54.97 55.24 1xs2 s GLU 337 Cb 0.09 -2.80 -0.09 0.00 -4.31 0.00 0.00 34.13 27.02 1xs2 s GLU 337 CO 0.84 0.39 0.83 -1.25 0.01 0.00 0.00 175.26 176.09 1xs2 s PRO 338 N -2.26 4.54 -0.57 0.39 0.04 -1.26 -5.02 135.00 130.86 1xs2 s PRO 338 Ca 0.43 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.69 1xs2 s PRO 338 Cb -0.14 -3.05 0.15 0.00 0.04 0.00 0.00 34.50 31.50 1xs2 s PRO 338 CO 0.20 0.45 0.35 -0.51 0.04 0.00 0.00 177.00 177.52 1xs2 s LEU 339 N -1.58 3.96 -0.07 -3.56 1.43 -1.26 -5.04 118.68 112.56 1xs2 s LEU 339 Ca 0.42 -3.27 0.05 0.00 -1.03 0.00 0.00 54.13 50.30 1xs2 s LEU 339 Cb -0.21 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 1xs2 s LEU 339 CO 0.25 -0.18 -0.23 -1.61 0.23 0.00 0.00 176.35 174.82 1xs2 s GLU 340 N -0.59 2.51 0.05 1.70 0.41 -1.26 -1.47 118.70 120.05 1xs2 s GLU 340 Ca 0.21 -0.81 -0.10 0.00 -0.41 0.00 0.00 54.97 53.86 1xs2 s GLU 340 Cb -0.15 -2.05 -0.06 0.00 -1.78 0.00 0.00 34.13 30.10 1xs2 s GLU 340 CO -0.08 0.27 0.38 0.00 -0.49 0.00 0.00 175.26 175.34 1xs2 s ALA 341 N 0.08 3.74 -0.05 5.21 0.00 -1.26 -4.48 121.76 124.99 1xs2 s ALA 341 Ca -0.09 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1xs2 s ALA 341 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1xs2 s ALA 341 CO 0.05 0.56 -0.15 0.08 0.00 0.00 0.00 175.76 176.30 1xs2 s VAL 342 N -1.31 1.31 -1.46 0.00 1.01 -0.39 -4.79 120.40 114.78 1xs2 s VAL 342 Ca 0.30 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1xs2 s VAL 342 Cb -0.14 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1xs2 s VAL 342 CO 0.16 0.39 0.67 -0.67 0.00 0.00 0.00 175.10 175.65 1xs2 n ASP 343 N 3.32 -5.30 -0.49 3.32 2.03 -1.23 -1.73 116.55 116.47 1xs2 n ASP 343 Ca -0.19 -0.40 -0.06 0.00 0.52 0.00 0.00 54.79 54.66 1xs2 n ASP 343 Cb 0.53 -4.28 -0.02 0.00 -0.72 0.00 0.00 41.12 36.62 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 -1.49 0.74 2.95 0.27 0.00 -0.93 -4.71 105.19 102.02 1xs2 n GLY 344 Ca -0.05 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.42 1.41 -0.23 0.99 1.43 -0.70 -1.18 118.68 118.96 1xs2 s LEU 345 Ca 0.00 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1xs2 s LEU 345 Cb 0.00 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1xs2 s LEU 345 CO 0.00 -0.03 -0.00 -0.32 0.23 0.00 0.00 176.35 176.22 1xs2 s MET 346 N 1.02 3.43 0.58 1.70 -2.45 -0.15 -1.26 119.30 122.18 1xs2 s MET 346 Ca -0.08 -0.60 -0.16 0.00 -1.25 0.00 0.00 55.69 53.59 1xs2 s MET 346 Cb -0.15 -3.13 -0.04 0.00 1.25 0.00 0.00 34.83 32.77 1xs2 s MET 346 CO -0.00 -0.21 1.06 -1.25 1.05 0.00 0.00 175.02 175.67 1xs2 s PRO 347 N 1.52 3.33 -0.14 4.11 0.04 -1.26 -1.12 135.00 141.48 1xs2 s PRO 347 Ca 0.06 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1xs2 s PRO 347 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1xs2 s PRO 347 CO -0.01 -0.81 1.23 0.08 0.04 0.00 0.00 177.00 177.53 1xs2 s VAL 348 N -2.33 4.31 0.05 -0.36 1.01 -0.80 -4.87 120.40 117.41 1xs2 s VAL 348 Ca 0.65 1.60 -0.31 0.00 0.00 0.00 0.00 61.98 63.93 1xs2 s VAL 348 Cb -0.17 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 1xs2 s VAL 348 CO 0.34 -0.10 1.66 -2.16 0.00 0.00 0.00 175.10 174.84 1xs2 s PRO 349 N 3.13 4.19 0.63 2.72 0.04 -1.26 -4.96 135.00 139.49 1xs2 s PRO 349 Ca 0.54 2.32 -0.14 0.00 0.04 0.00 0.00 61.00 63.76 1xs2 s PRO 349 Cb -0.22 -3.66 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 1xs2 s PRO 349 CO 0.16 -0.75 1.05 -0.65 0.04 0.00 0.00 177.00 176.85 1xs2 s GLN 350 N 2.85 3.23 0.00 4.56 -0.21 -1.26 -4.30 119.66 124.53 1xs2 s GLN 350 Ca 0.74 1.08 0.00 0.00 0.02 0.00 0.00 55.36 57.20 1xs2 s GLN 350 Cb -0.39 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1xs2 s GLN 350 CO 0.32 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 173.03 1xs2 n GLY 351 N -1.46 1.90 3.86 3.09 0.00 -1.26 -4.45 105.19 106.86 1xs2 n GLY 351 Ca 0.08 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.60 3.70 6.28 1.61 0.04 -1.26 -4.02 135.00 139.74 1xs2 s PRO 352 Ca 0.00 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1xs2 s PRO 352 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1xs2 s PRO 352 CO 0.00 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1xs2 n GLY 353 N -2.41 3.41 0.11 0.56 0.00 -0.06 -1.61 105.19 105.19 1xs2 n GLY 353 Ca 0.06 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1xs2 n GLY 353 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xs2 n THR 354 N 0.00 0.94 -1.38 2.61 -2.24 -1.26 -0.89 114.28 112.07 1xs2 n THR 354 Ca 0.00 0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1xs2 n THR 354 Cb 0.00 -1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 66.93 1xs2 n THR 354 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xs2 n GLY 355 N -0.28 1.34 3.27 3.38 0.00 -0.64 -4.72 105.19 107.55 1xs2 n GLY 355 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.38 0.75 -0.03 1.61 -7.23 -1.26 -4.39 120.40 107.47 1xs2 s VAL 356 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1xs2 s VAL 356 Cb 0.00 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.72 1xs2 s VAL 356 CO 0.00 -0.37 0.03 -0.89 -0.31 0.00 0.00 175.10 173.56 1xs2 s THR 357 N -3.61 0.03 0.35 5.32 2.01 -1.26 -5.06 115.64 113.42 1xs2 s THR 357 Ca 0.27 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1xs2 s THR 357 Cb 0.06 -0.19 -0.11 0.00 0.01 0.00 0.00 72.50 72.27 1xs2 s THR 357 CO 0.06 0.14 1.48 0.18 -0.69 0.00 0.00 174.62 175.80 1xs2 n LEU 358 N 4.52 4.47 -4.38 4.42 4.77 -1.26 -1.47 117.00 128.07 1xs2 n LEU 358 Ca -0.20 1.21 -0.45 0.00 -0.03 0.00 0.00 56.01 56.54 1xs2 n LEU 358 Cb 0.50 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.96 1xs2 n LEU 358 CO 0.17 0.05 0.52 -0.62 -1.33 0.00 0.00 177.39 176.18 1xs2 s ASP 359 N -0.02 6.39 0.18 -1.43 3.68 0.26 -4.69 116.67 121.05 1xs2 s ASP 359 Ca 0.56 -1.83 -0.02 0.00 2.13 0.00 0.00 52.55 53.39 1xs2 s ASP 359 Cb -0.50 -2.30 0.08 0.00 -1.45 0.00 0.00 42.92 38.76 1xs2 s ASP 359 CO 0.60 -0.98 1.46 0.03 0.13 0.00 0.00 175.17 176.41 1xs2 h ARG 360 N 8.81 0.46 0.12 4.34 2.47 -1.92 0.17 114.38 128.82 1xs2 h ARG 360 Ca -0.12 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1xs2 h ARG 360 Cb 1.07 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1xs2 h ARG 360 CO 1.03 0.96 -0.06 0.93 0.56 0.00 0.00 179.97 183.39 1xs2 h GLU 361 N 0.33 -0.15 -0.71 0.04 3.07 -1.98 -1.42 114.58 113.76 1xs2 h GLU 361 Ca -0.02 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1xs2 h GLU 361 Cb 1.22 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 1xs2 h GLU 361 CO 0.12 0.03 0.19 0.35 -1.40 0.00 0.00 179.01 178.30 1xs2 h PHE 362 N -0.31 1.17 -0.94 4.33 3.04 -1.92 -2.49 116.94 119.82 1xs2 h PHE 362 Ca -0.02 -0.13 0.05 0.00 3.98 0.00 0.00 57.97 61.85 1xs2 h PHE 362 Cb 0.25 -0.33 -0.06 0.00 2.56 0.00 0.00 35.95 38.37 1xs2 h PHE 362 CO -0.02 0.95 0.62 1.25 -2.02 0.00 0.00 178.31 179.08 1xs2 h LEU 363 N 1.06 0.99 -1.72 0.59 5.85 -0.89 -2.11 115.31 119.08 1xs2 h LEU 363 Ca 0.22 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1xs2 h LEU 363 Cb 0.35 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1xs2 h LEU 363 CO -0.00 0.66 0.03 0.00 -0.34 0.00 0.00 178.44 178.79 1xs2 h ALA 364 N 1.47 1.78 0.00 1.25 0.00 -0.78 -0.86 119.26 122.12 1xs2 h ALA 364 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xs2 h ALA 364 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xs2 h ALA 364 CO -0.13 0.17 0.00 1.79 0.00 0.00 0.00 179.25 181.08 1xs2 h THR 365 N 0.20 0.00 -0.06 0.00 1.35 -1.32 -3.19 112.91 109.90 1xs2 h THR 365 Ca 0.05 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1xs2 h THR 365 Cb 0.10 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1xs2 h THR 365 CO -0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 1xs2 n VAL 366 N -2.41 0.59 -2.24 6.82 0.24 -0.91 -5.01 118.33 115.41 1xs2 n VAL 366 Ca 0.05 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.34 61.14 1xs2 n VAL 366 Cb 0.44 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.69 3.40 -0.42 3.34 2.01 -0.38 -0.93 115.64 121.96 1xs2 s THR 367 Ca 0.05 1.06 0.06 0.00 0.31 0.00 0.00 61.69 63.18 1xs2 s THR 367 Cb 0.03 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1xs2 s THR 367 CO 0.04 0.11 0.36 -1.84 -0.69 0.00 0.00 174.62 172.61 1xs2 n GLU 368 N 3.40 3.95 -3.60 4.92 0.28 -0.26 -4.92 120.64 124.41 1xs2 n GLU 368 Ca 0.09 -0.18 -0.16 0.00 -0.16 0.00 0.00 57.16 56.75 1xs2 n GLU 368 Cb 0.43 -0.87 -0.07 0.00 1.43 0.00 0.00 31.44 32.37 1xs2 n GLU 368 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xs2 s ALA 369 N -1.41 -1.60 -0.25 -1.84 0.00 -1.13 -5.01 121.76 110.52 1xs2 s ALA 369 Ca 0.04 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 1xs2 s ALA 369 Cb 0.05 -0.39 0.07 0.00 0.00 0.00 0.00 23.12 22.84 1xs2 s ALA 369 CO 0.23 -0.33 0.66 1.14 0.00 0.00 0.00 175.76 177.46 1xs2 s GLN 370 N -0.63 0.76 0.08 0.00 -2.07 -1.26 -1.53 119.66 115.02 1xs2 s GLN 370 Ca -0.07 0.95 -0.09 0.00 -1.82 0.00 0.00 55.36 54.33 1xs2 s GLN 370 Cb -0.02 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1xs2 s GLN 370 CO 0.06 -0.10 0.20 -1.83 -1.32 0.00 0.00 175.29 172.30 1xs2 s GLU 371 N 0.49 0.83 0.00 9.60 -1.05 -0.67 -5.00 118.70 122.91 1xs2 s GLU 371 Ca -0.01 -0.90 0.06 0.00 -0.15 0.00 0.00 54.97 53.97 1xs2 s GLU 371 Cb -0.05 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1xs2 s GLU 371 CO -0.01 -0.26 -0.19 -1.21 0.95 0.00 0.00 175.26 174.53 1xs2 s GLU 372 N -3.69 1.48 -0.02 -4.83 0.41 -1.26 -1.92 118.70 108.87 1xs2 s GLU 372 Ca 0.04 -0.75 0.02 0.00 -0.41 0.00 0.00 54.97 53.86 1xs2 s GLU 372 Cb 0.04 -1.48 0.01 0.00 -1.78 0.00 0.00 34.13 30.92 1xs2 s GLU 372 CO -0.10 0.40 -0.07 -1.01 -0.49 0.00 0.00 175.26 173.98 1xs2 s HIS 373 N -0.56 0.79 0.30 1.61 3.76 0.04 -5.01 115.29 116.23 1xs2 s HIS 373 Ca 0.07 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1xs2 s HIS 373 Cb -0.08 -0.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 1xs2 s HIS 373 CO 0.00 -0.09 0.09 1.03 -0.85 0.00 0.00 174.74 174.92 1xs2 s ARG 374 N 0.27 1.57 0.00 1.40 0.52 -1.26 -1.82 118.95 119.63 1xs2 s ARG 374 Ca -0.04 -1.88 0.28 0.00 -0.52 0.00 0.00 55.73 53.58 1xs2 s ARG 374 Cb -0.08 -0.52 1.70 0.00 0.52 0.00 0.00 34.95 36.57 1xs2 s ARG 374 CO 0.00 -0.29 2.04 0.00 0.02 0.00 0.00 175.30 177.07