#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs9 s VAL 17 N 0.00 4.39 -0.82 1.39 1.01 0.29 -3.99 120.40 122.68 2fs9 s VAL 17 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2fs9 s VAL 17 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2fs9 s VAL 17 CO 0.00 0.46 0.49 0.61 0.00 0.00 0.00 175.10 176.66 2fs9 n GLY 18 N 3.73 0.06 0.00 4.51 0.00 -1.25 -2.35 105.19 109.89 2fs9 n GLY 18 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2fs9 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs9 n GLY 19 N -1.26 5.14 3.80 -0.02 0.00 -1.26 -4.81 105.19 106.78 2fs9 n GLY 19 Ca -0.03 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 2fs9 n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fs9 s GLN 20 N 3.10 1.84 0.35 1.61 -2.07 -0.82 -4.96 119.66 118.71 2fs9 s GLN 20 Ca 0.00 -1.13 -0.29 0.00 -1.82 0.00 0.00 55.36 52.13 2fs9 s GLN 20 Cb 0.00 0.59 -0.11 0.00 -1.09 0.00 0.00 33.01 32.40 2fs9 s GLN 20 CO 0.00 -0.83 1.53 -2.00 -1.32 0.00 0.00 175.29 172.66 2fs9 s GLU 21 N -3.63 4.10 0.20 9.60 2.12 -1.26 -1.39 118.70 128.44 2fs9 s GLU 21 Ca 0.14 2.59 -0.24 0.00 0.36 0.00 0.00 54.97 57.82 2fs9 s GLU 21 Cb -0.05 -2.98 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 2fs9 s GLU 21 CO 0.08 -0.58 0.79 0.00 -0.54 0.00 0.00 175.26 175.01 2fs9 s ALA 22 N -0.77 3.41 0.60 6.30 0.00 0.07 -4.79 121.76 126.59 2fs9 s ALA 22 Ca 0.56 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 2fs9 s ALA 22 Cb -0.47 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2fs9 s ALA 22 CO 0.59 0.29 1.28 -2.14 0.00 0.00 0.00 175.76 175.78 2fs9 s PRO 23 N -1.43 2.86 0.53 0.00 0.02 -1.26 -4.87 135.00 130.85 2fs9 s PRO 23 Ca 0.39 2.04 0.23 0.00 0.02 0.00 0.00 61.00 63.68 2fs9 s PRO 23 Cb -0.21 -2.00 1.38 0.00 0.02 0.00 0.00 34.50 33.69 2fs9 s PRO 23 CO 0.25 -1.35 2.05 -0.09 -0.33 0.00 0.00 177.00 177.53 2fs9 h ARG 24 N 0.93 0.00 -0.11 5.54 2.43 -1.99 -2.28 114.38 118.90 2fs9 h ARG 24 Ca -0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2fs9 h ARG 24 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2fs9 h ARG 24 CO 0.55 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.88 2fs9 n SER 25 N -4.37 1.20 -4.74 -3.80 3.41 -1.26 -4.90 113.62 99.15 2fs9 n SER 25 Ca 0.05 -1.60 -0.27 0.00 -0.26 0.00 0.00 58.87 56.79 2fs9 n SER 25 Cb 0.43 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 2fs9 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fs9 s LYS 26 N -1.86 2.69 -1.17 4.33 1.02 -0.86 -4.67 119.74 119.21 2fs9 s LYS 26 Ca 0.32 -0.95 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 2fs9 s LYS 26 Cb 0.17 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2fs9 s LYS 26 CO 0.26 0.48 0.92 0.91 -0.92 0.00 0.00 175.35 177.00 2fs9 n TRP 27 N -0.15 -2.21 0.69 3.18 5.03 -1.26 -4.87 117.44 117.86 2fs9 n TRP 27 Ca -0.09 0.88 0.06 0.00 3.03 0.00 0.00 57.50 61.38 2fs9 n TRP 27 Cb 0.54 -4.65 0.35 0.00 -1.03 0.00 0.00 31.31 26.52 2fs9 n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2fs9 n PRO 28 N -3.91 0.29 -0.00 -0.99 -0.04 -1.26 -2.13 135.00 126.96 2fs9 n PRO 28 Ca -0.22 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.42 2fs9 n PRO 28 Cb 0.65 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 2fs9 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2fs9 n TRP 29 N -1.14 0.00 -1.71 0.54 2.14 -1.19 -2.12 117.44 113.95 2fs9 n TRP 29 Ca 0.08 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.22 2fs9 n TRP 29 Cb 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 31.31 30.50 2fs9 n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2fs9 n GLN 30 N -1.56 2.40 -4.13 -2.67 -0.06 -0.90 -1.63 117.38 108.82 2fs9 n GLN 30 Ca 0.03 0.85 -0.16 0.00 -2.00 0.00 0.00 57.00 55.73 2fs9 n GLN 30 Cb 0.35 -2.57 -0.12 0.00 -4.06 0.00 0.00 30.24 23.84 2fs9 n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2fs9 s VAL 31 N -0.13 0.89 -0.11 1.69 1.01 -0.45 -2.26 120.40 121.04 2fs9 s VAL 31 Ca 0.65 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2fs9 s VAL 31 Cb -0.56 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2fs9 s VAL 31 CO 0.50 -0.33 -0.17 -0.55 0.00 0.00 0.00 175.10 174.56 2fs9 s SER 32 N -1.79 3.70 -0.10 3.32 0.15 -0.19 -1.34 113.70 117.46 2fs9 s SER 32 Ca -0.04 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 2fs9 s SER 32 Cb -0.09 -1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 62.68 2fs9 s SER 32 CO 0.01 0.17 0.36 -0.76 1.20 0.00 0.00 173.24 174.23 2fs9 s LEU 33 N 0.28 4.34 -0.02 3.45 1.02 0.05 -0.83 118.68 126.96 2fs9 s LEU 33 Ca -0.12 0.72 0.07 0.00 0.02 0.00 0.00 54.13 54.82 2fs9 s LEU 33 Cb -0.16 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.54 2fs9 s LEU 33 CO 0.06 0.17 -0.24 -0.13 0.02 0.00 0.00 176.35 176.24 2fs9 s ARG 34 N -0.10 1.97 -0.07 1.70 1.81 0.28 -2.04 118.95 122.50 2fs9 s ARG 34 Ca 0.21 -0.84 0.02 0.00 -1.72 0.00 0.00 55.73 53.39 2fs9 s ARG 34 Cb -0.15 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.46 2fs9 s ARG 34 CO 0.08 0.49 -0.11 0.54 -0.68 0.00 0.00 175.30 175.62 2fs9 s VAL 35 N -0.50 3.33 0.37 3.52 0.11 -0.43 -1.12 120.40 125.69 2fs9 s VAL 35 Ca 0.08 -0.61 -0.28 0.00 -2.93 0.00 0.00 61.98 58.24 2fs9 s VAL 35 Cb -0.10 -2.35 -0.11 0.00 -1.53 0.00 0.00 36.38 32.30 2fs9 s VAL 35 CO -0.00 0.58 1.48 -2.28 -3.33 0.00 0.00 175.10 171.54 2fs9 s HIS 36 N -0.57 2.61 0.00 1.54 2.46 0.22 -2.56 115.29 118.98 2fs9 s HIS 36 Ca 0.08 1.18 0.00 0.00 0.47 0.00 0.00 55.06 56.79 2fs9 s HIS 36 Cb -0.12 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 2fs9 s HIS 36 CO 0.02 -2.94 0.00 0.41 -2.47 0.00 0.00 174.74 169.76 2fs9 n GLY 37 N 0.48 1.39 0.34 1.59 0.00 -1.26 -4.93 105.19 102.80 2fs9 n GLY 37 Ca 0.01 -0.38 0.18 0.00 0.00 0.00 0.00 46.02 45.83 2fs9 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fs9 h PRO 37 N 0.00 0.00 -2.36 1.61 0.11 -2.04 -3.42 132.00 125.91 2fs9 h PRO 37 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2fs9 h PRO 37 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 2fs9 h PRO 37 CO 0.00 0.00 0.28 1.52 -0.21 0.00 0.00 178.00 179.59 2fs9 s TYR 37 N -4.38 -0.54 -0.85 0.65 1.13 -1.26 -5.08 117.35 107.02 2fs9 s TYR 37 Ca -0.04 0.66 -0.25 0.00 -1.41 0.00 0.00 57.07 56.03 2fs9 s TYR 37 Cb 0.13 0.49 -0.07 0.00 -1.10 0.00 0.00 41.96 41.41 2fs9 s TYR 37 CO 0.45 -0.66 2.05 -1.58 -2.51 0.00 0.00 175.55 173.30 2fs9 s TRP 38 N -2.38 1.63 0.29 -3.49 0.52 -1.26 -4.78 118.94 109.48 2fs9 s TRP 38 Ca -0.03 0.96 -0.23 0.00 0.02 0.00 0.00 56.10 56.82 2fs9 s TRP 38 Cb -0.01 -3.90 -0.09 0.00 -1.15 0.00 0.00 33.47 28.32 2fs9 s TRP 38 CO -0.02 -1.77 0.86 1.41 0.02 0.00 0.00 176.95 177.45 2fs9 s MET 39 N 7.45 4.42 -0.02 4.98 1.75 -1.06 -4.74 119.30 132.09 2fs9 s MET 39 Ca 0.75 1.13 -0.30 0.00 -1.25 0.00 0.00 55.69 56.02 2fs9 s MET 39 Cb -0.09 -2.77 -0.03 0.00 2.84 0.00 0.00 34.83 34.78 2fs9 s MET 39 CO 0.03 0.29 1.08 -1.58 -0.65 0.00 0.00 175.02 174.20 2fs9 s HIS 40 N -1.64 3.48 0.00 4.11 2.46 -1.26 -1.31 115.29 121.14 2fs9 s HIS 40 Ca 0.49 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.50 2fs9 s HIS 40 Cb -0.17 -3.27 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 2fs9 s HIS 40 CO 0.22 -0.62 0.00 1.97 -2.47 0.00 0.00 174.74 173.84 2fs9 n PHE 41 N 4.39 0.00 -3.80 3.88 -1.74 -0.86 -4.97 117.46 114.35 2fs9 n PHE 41 Ca 0.08 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.89 2fs9 n PHE 41 Cb 0.48 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.45 2fs9 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fs9 s GLY 43 N -2.90 2.03 0.15 0.00 0.00 0.11 -0.77 107.32 105.94 2fs9 s GLY 43 Ca 0.11 -1.71 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 2fs9 s GLY 43 CO 0.02 -1.83 0.94 0.61 0.00 0.00 0.00 173.10 172.84 2fs9 n GLY 44 N -2.06 0.64 3.08 0.20 0.00 -0.45 -3.51 105.19 103.10 2fs9 n GLY 44 Ca 0.08 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2fs9 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fs9 s SER 45 N -3.20 -0.01 -0.46 1.61 1.04 -0.23 -1.35 113.70 111.11 2fs9 s SER 45 Ca 0.21 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.34 2fs9 s SER 45 Cb -0.02 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.36 2fs9 s SER 45 CO 0.04 -0.28 0.73 -0.22 0.98 0.00 0.00 173.24 174.49 2fs9 s LEU 46 N -0.99 4.39 0.00 2.42 2.96 -0.65 -0.20 118.68 126.61 2fs9 s LEU 46 Ca -0.11 -0.27 0.15 0.00 -0.22 0.00 0.00 54.13 53.68 2fs9 s LEU 46 Cb -0.06 -2.83 0.40 0.00 0.50 0.00 0.00 46.19 44.21 2fs9 s LEU 46 CO 0.01 -0.88 1.32 2.30 -1.32 0.00 0.00 176.35 177.78 2fs9 n ILE 47 N 6.00 0.91 -3.64 6.68 -5.35 -0.88 -0.57 119.36 122.51 2fs9 n ILE 47 Ca 0.00 -0.96 -0.04 0.00 -0.27 0.00 0.00 62.75 61.49 2fs9 n ILE 47 Cb 0.48 0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 38.89 2fs9 n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fs9 s HIS 48 N -1.03 -0.11 0.66 4.28 5.04 -1.19 -4.81 115.29 118.13 2fs9 s HIS 48 Ca 0.31 0.23 0.12 0.00 -1.54 0.00 0.00 55.06 54.18 2fs9 s HIS 48 Cb 0.16 0.48 0.61 0.00 0.04 0.00 0.00 32.58 33.87 2fs9 s HIS 48 CO 0.22 -0.07 1.33 -1.35 -2.34 0.00 0.00 174.74 172.53 2fs9 h PRO 49 N 2.74 0.00 0.00 2.88 0.11 -1.93 -0.20 132.00 135.60 2fs9 h PRO 49 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2fs9 h PRO 49 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2fs9 h PRO 49 CO 0.20 0.00 -0.10 0.94 -0.21 0.00 0.00 178.00 178.84 2fs9 n GLN 50 N -2.71 1.07 -3.94 1.05 7.27 -1.26 0.07 117.38 118.92 2fs9 n GLN 50 Ca 0.01 -1.21 -0.13 0.00 0.07 0.00 0.00 57.00 55.75 2fs9 n GLN 50 Cb 0.84 -0.80 -0.14 0.00 2.41 0.00 0.00 30.24 32.55 2fs9 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2fs9 s TRP 51 N -0.73 0.12 -0.07 3.69 0.52 -0.09 -1.80 118.94 120.58 2fs9 s TRP 51 Ca 0.05 -0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.18 2fs9 s TRP 51 Cb 0.04 -0.08 -0.01 0.00 -1.15 0.00 0.00 33.47 32.27 2fs9 s TRP 51 CO 0.00 -0.01 -0.22 0.08 0.02 0.00 0.00 176.95 176.83 2fs9 s VAL 52 N -0.07 2.32 -0.18 4.03 1.01 -0.15 -2.08 120.40 125.27 2fs9 s VAL 52 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 2fs9 s VAL 52 Cb -0.01 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2fs9 s VAL 52 CO -0.00 0.56 0.07 -0.22 0.00 0.00 0.00 175.10 175.52 2fs9 s LEU 53 N -0.09 3.90 0.00 3.92 2.96 0.72 -0.73 118.68 129.36 2fs9 s LEU 53 Ca -0.05 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2fs9 s LEU 53 Cb -0.14 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 2fs9 s LEU 53 CO 0.04 0.18 0.03 1.07 -1.32 0.00 0.00 176.35 176.35 2fs9 n THR 54 N 3.50 0.00 -3.53 3.68 5.66 -0.75 -1.07 114.28 121.76 2fs9 n THR 54 Ca -0.16 -0.15 -0.36 0.00 -3.05 0.00 0.00 64.05 60.32 2fs9 n THR 54 Cb 0.52 0.08 -0.06 0.00 -1.55 0.00 0.00 70.33 69.33 2fs9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fs9 s ALA 55 N -1.90 3.71 0.34 1.79 0.00 -1.26 -0.94 121.76 123.49 2fs9 s ALA 55 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2fs9 s ALA 55 Cb 0.00 -2.34 0.58 0.00 0.00 0.00 0.00 23.12 21.37 2fs9 s ALA 55 CO 0.02 0.52 1.98 0.00 0.00 0.00 0.00 175.76 178.28 2fs9 h ALA 56 N 4.24 1.49 0.00 0.00 0.00 -1.70 -2.19 119.26 121.10 2fs9 h ALA 56 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2fs9 h ALA 56 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2fs9 h ALA 56 CO 0.64 0.45 0.00 -2.39 0.00 0.00 0.00 179.25 177.95 2fs9 n HIS 57 N -4.41 0.00 0.08 0.00 1.44 -1.26 0.38 115.22 111.45 2fs9 n HIS 57 Ca 0.06 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.73 2fs9 n HIS 57 Cb 0.06 -0.38 -0.04 0.00 0.12 0.00 0.00 29.99 29.75 2fs9 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fs9 n VAL 59 N -3.42 0.00 -3.61 0.00 0.24 -0.81 -5.01 118.33 105.71 2fs9 n VAL 59 Ca -0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2fs9 n VAL 59 Cb 0.85 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 2fs9 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fs9 n GLY 60 N 0.63 4.94 0.15 7.63 0.00 0.16 -4.53 105.19 114.18 2fs9 n GLY 60 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2fs9 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fs9 h PRO 60 N 0.00 0.00 -6.47 1.61 0.13 -1.80 -3.41 132.00 122.07 2fs9 h PRO 60 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2fs9 h PRO 60 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2fs9 h PRO 60 CO 0.00 0.00 0.31 -0.51 -0.23 0.00 0.00 178.00 177.57 2fs9 s ASP 60 N -4.68 7.40 0.31 1.44 1.01 -1.26 -5.00 116.67 115.89 2fs9 s ASP 60 Ca 0.06 1.68 -0.29 0.00 0.71 0.00 0.00 52.55 54.71 2fs9 s ASP 60 Cb 0.10 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.35 2fs9 s ASP 60 CO 0.49 -0.07 1.31 0.52 0.21 0.00 0.00 175.17 177.62 2fs9 n VAL 60 N 2.96 1.70 -4.32 -1.27 0.31 -1.26 -5.00 118.33 111.45 2fs9 n VAL 60 Ca 0.02 -0.42 -0.24 0.00 -0.01 0.00 0.00 64.34 63.68 2fs9 n VAL 60 Cb 0.50 -1.51 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 2fs9 n VAL 60 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2fs9 s LYS 60 N -1.43 2.15 -0.48 5.55 -0.14 -1.26 -5.08 119.74 119.05 2fs9 s LYS 60 Ca 0.59 -1.42 -0.28 0.00 -1.36 0.00 0.00 55.97 53.51 2fs9 s LYS 60 Cb -0.60 -2.11 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2fs9 s LYS 60 CO 0.58 0.38 1.06 0.34 -0.76 0.00 0.00 175.35 176.95 2fs9 s ASP 60 N -3.41 6.57 0.35 2.83 3.68 -1.26 -4.91 116.67 120.50 2fs9 s ASP 60 Ca 0.29 0.30 0.12 0.00 2.13 0.00 0.00 52.55 55.39 2fs9 s ASP 60 Cb -0.07 -2.51 0.93 0.00 -1.45 0.00 0.00 42.92 39.82 2fs9 s ASP 60 CO 0.18 -1.19 1.76 -0.07 0.13 0.00 0.00 175.17 175.98 2fs9 h LEU 61 N 11.01 0.62 -1.02 -1.34 4.07 -1.95 -1.39 115.31 125.31 2fs9 h LEU 61 Ca -0.24 0.10 0.16 0.00 0.08 0.00 0.00 57.88 57.99 2fs9 h LEU 61 Cb 1.07 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.71 2fs9 h LEU 61 CO 1.09 0.15 0.62 0.00 -1.08 0.00 0.00 178.44 179.22 2fs9 h ALA 62 N 1.66 1.63 0.00 1.53 0.00 -1.91 0.71 119.26 122.89 2fs9 h ALA 62 Ca 0.60 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2fs9 h ALA 62 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2fs9 h ALA 62 CO -0.37 0.04 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2fs9 n ALA 63 N -2.34 2.25 -2.61 0.00 0.00 -0.52 -4.75 120.51 112.54 2fs9 n ALA 63 Ca 0.22 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 2fs9 n ALA 63 Cb 0.50 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 2fs9 n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fs9 s LEU 64 N -1.38 2.01 0.05 0.00 2.96 0.24 -0.61 118.68 121.95 2fs9 s LEU 64 Ca 0.13 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2fs9 s LEU 64 Cb 0.06 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 2fs9 s LEU 64 CO 0.10 0.23 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.19 2fs9 s ARG 65 N -0.29 0.59 -0.05 1.98 1.81 -0.27 -4.11 118.95 118.62 2fs9 s ARG 65 Ca 0.02 -1.14 0.06 0.00 -1.72 0.00 0.00 55.73 52.95 2fs9 s ARG 65 Cb -0.10 0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.53 2fs9 s ARG 65 CO 0.01 -0.09 -0.24 0.08 -0.68 0.00 0.00 175.30 174.38 2fs9 s VAL 66 N -3.51 1.96 -0.15 3.52 1.01 0.29 -0.56 120.40 122.96 2fs9 s VAL 66 Ca 0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2fs9 s VAL 66 Cb 0.05 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2fs9 s VAL 66 CO -0.08 0.55 -0.13 -1.58 0.00 0.00 0.00 175.10 173.86 2fs9 s GLN 67 N -0.19 3.33 0.97 2.72 2.00 -0.01 -0.28 119.66 128.20 2fs9 s GLN 67 Ca -0.02 -0.70 -0.16 0.00 -2.00 0.00 0.00 55.36 52.48 2fs9 s GLN 67 Cb -0.13 -2.68 0.20 0.00 0.80 0.00 0.00 33.01 31.20 2fs9 s GLN 67 CO 0.03 0.09 1.32 -0.51 -0.50 0.00 0.00 175.29 175.72 2fs9 s LEU 68 N 0.66 2.63 -0.09 3.68 1.43 -1.26 -1.02 118.68 124.70 2fs9 s LEU 68 Ca -0.07 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 2fs9 s LEU 68 Cb -0.15 -2.31 -0.14 0.00 0.03 0.00 0.00 46.19 43.61 2fs9 s LEU 68 CO 0.02 -2.79 0.87 -1.14 0.23 0.00 0.00 176.35 173.54 2fs9 n ARG 69 N -3.81 0.00 -3.76 1.70 3.00 -0.96 -4.74 116.66 108.09 2fs9 n ARG 69 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.87 2fs9 n ARG 69 Cb 0.59 -1.08 -0.14 0.00 0.00 0.00 0.00 32.46 31.84 2fs9 n ARG 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2fs9 s GLU 70 N 0.57 0.15 0.08 -0.14 2.12 -1.26 -5.05 118.70 115.16 2fs9 s GLU 70 Ca 0.68 0.36 -0.18 0.00 0.36 0.00 0.00 54.97 56.20 2fs9 s GLU 70 Cb -0.96 -0.09 -0.10 0.00 0.26 0.00 0.00 34.13 33.25 2fs9 s GLU 70 CO 0.46 -0.12 1.43 1.96 -0.54 0.00 0.00 175.26 178.44 2fs9 h GLN 71 N 6.84 0.53 -4.71 4.30 1.08 -1.94 -3.42 115.11 117.78 2fs9 h GLN 71 Ca -0.37 -0.24 -0.58 0.00 -1.45 0.00 0.00 58.65 56.01 2fs9 h GLN 71 Cb 1.16 -0.01 -0.35 0.00 -0.05 0.00 0.00 27.48 28.24 2fs9 h GLN 71 CO 0.41 0.80 -0.83 -1.01 -0.95 0.00 0.00 178.83 177.25 2fs9 s HIS 72 N -4.52 1.93 0.37 2.96 3.76 -1.26 -1.87 115.29 116.66 2fs9 s HIS 72 Ca -0.13 -0.91 -0.27 0.00 -0.15 0.00 0.00 55.06 53.60 2fs9 s HIS 72 Cb 0.07 -1.40 -0.11 0.00 1.11 0.00 0.00 32.58 32.25 2fs9 s HIS 72 CO 0.78 -0.47 1.22 1.28 -0.85 0.00 0.00 174.74 176.69 2fs9 n LEU 73 N 4.23 3.41 0.00 0.89 4.77 -0.71 -2.41 117.00 127.18 2fs9 n LEU 73 Ca -0.19 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 2fs9 n LEU 73 Cb 0.51 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2fs9 n LEU 73 CO 0.24 -0.77 0.00 -1.22 -1.33 0.00 0.00 177.39 174.30 2fs9 n TYR 74 N 0.02 0.00 0.28 -1.77 4.01 -1.26 -4.83 117.16 113.62 2fs9 n TYR 74 Ca 0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 2fs9 n TYR 74 Cb 0.37 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 2fs9 n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2fs9 h TYR 75 N 0.00 -0.68 -1.27 -0.72 -0.00 -1.84 -3.35 116.97 109.12 2fs9 h TYR 75 Ca 0.00 -0.02 -0.60 0.00 -0.00 0.00 0.00 58.73 58.11 2fs9 h TYR 75 Cb 0.00 0.22 -0.40 0.00 -0.00 0.00 0.00 36.73 36.56 2fs9 h TYR 75 CO 0.00 -0.35 -0.46 1.04 -0.00 0.00 0.00 178.16 178.39 2fs9 n GLN 79 N -5.31 3.37 -1.72 1.82 1.13 -1.26 -5.07 117.38 110.34 2fs9 n GLN 79 Ca -0.11 -4.20 -0.43 0.00 -1.94 0.00 0.00 57.00 50.31 2fs9 n GLN 79 Cb 0.33 -2.27 -0.02 0.00 0.11 0.00 0.00 30.24 28.40 2fs9 n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2fs9 n ASP 80 N -0.60 3.36 -3.07 1.08 9.92 -1.26 -4.95 116.55 121.03 2fs9 n ASP 80 Ca 0.44 1.16 -0.19 0.00 -0.53 0.00 0.00 54.79 55.67 2fs9 n ASP 80 Cb 0.72 -1.53 -0.04 0.00 -0.64 0.00 0.00 41.12 39.63 2fs9 n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fs9 n GLN 81 N 1.78 0.69 -1.72 -1.24 6.02 -1.26 -5.13 117.38 116.53 2fs9 n GLN 81 Ca 0.08 -2.79 -0.42 0.00 -0.01 0.00 0.00 57.00 53.87 2fs9 n GLN 81 Cb 0.35 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 2fs9 n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2fs9 n LEU 82 N 1.61 4.02 -4.54 1.08 4.77 -1.26 -4.72 117.00 117.96 2fs9 n LEU 82 Ca 0.18 1.08 -0.34 0.00 -0.03 0.00 0.00 56.01 56.90 2fs9 n LEU 82 Cb 0.55 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.96 2fs9 n LEU 82 CO 0.13 0.16 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.26 2fs9 s LEU 83 N 0.89 3.40 0.66 2.23 1.43 0.62 -4.89 118.68 123.00 2fs9 s LEU 83 Ca 0.73 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 2fs9 s LEU 83 Cb -0.51 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2fs9 s LEU 83 CO 0.35 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 176.04 2fs9 s PRO 84 N 0.30 2.90 -0.13 1.29 0.04 -1.26 -0.55 135.00 137.60 2fs9 s PRO 84 Ca -0.02 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 2fs9 s PRO 84 Cb -0.14 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2fs9 s PRO 84 CO 0.02 -1.15 -0.12 0.08 0.04 0.00 0.00 177.00 175.88 2fs9 s VAL 85 N -2.52 3.19 -0.12 -0.36 1.01 -1.26 -2.55 120.40 117.79 2fs9 s VAL 85 Ca 0.64 -0.62 0.17 0.00 0.00 0.00 0.00 61.98 62.18 2fs9 s VAL 85 Cb -0.18 -2.34 -0.14 0.00 0.00 0.00 0.00 36.38 33.72 2fs9 s VAL 85 CO 0.43 0.52 0.80 -1.54 0.00 0.00 0.00 175.10 175.31 2fs9 n SER 86 N 3.43 0.82 -3.75 3.32 3.41 0.02 -4.83 113.62 116.04 2fs9 n SER 86 Ca -0.18 0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 2fs9 n SER 86 Cb 0.53 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.60 2fs9 n SER 86 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2fs9 s ARG 87 N -2.93 0.46 -0.24 4.33 3.52 -1.11 -4.99 118.95 118.00 2fs9 s ARG 87 Ca -0.03 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 2fs9 s ARG 87 Cb 0.09 0.22 0.05 0.00 -1.56 0.00 0.00 34.95 33.75 2fs9 s ARG 87 CO 0.81 -0.08 -0.12 0.42 -0.81 0.00 0.00 175.30 175.53 2fs9 s ILE 88 N -0.12 2.02 -0.25 4.11 1.01 -1.26 -1.36 121.20 125.34 2fs9 s ILE 88 Ca -0.03 -1.41 -0.03 0.00 0.00 0.00 0.00 60.65 59.18 2fs9 s ILE 88 Cb -0.03 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.36 2fs9 s ILE 88 CO 0.01 0.08 -0.03 -0.63 0.00 0.00 0.00 174.94 174.37 2fs9 s ILE 89 N 1.20 3.21 -0.09 2.92 1.01 0.70 -4.98 121.20 125.17 2fs9 s ILE 89 Ca -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2fs9 s ILE 89 Cb -0.18 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 2fs9 s ILE 89 CO -0.07 0.24 -0.11 -0.69 0.00 0.00 0.00 174.94 174.32 2fs9 s VAL 90 N 1.40 3.34 -0.07 2.92 1.01 -1.26 0.12 120.40 127.86 2fs9 s VAL 90 Ca 0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 61.98 61.08 2fs9 s VAL 90 Cb -0.16 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.74 2fs9 s VAL 90 CO -0.03 0.56 1.92 1.57 0.00 0.00 0.00 175.10 179.12 2fs9 n HIS 91 N 2.78 2.36 -0.00 5.22 -0.00 -1.07 -4.85 115.22 119.67 2fs9 n HIS 91 Ca -0.18 -0.10 0.23 0.00 0.46 0.00 0.00 57.72 58.13 2fs9 n HIS 91 Cb 0.53 -2.70 0.68 0.00 -0.12 0.00 0.00 29.99 28.37 2fs9 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2fs9 h PRO 92 N 9.73 0.00 -0.00 1.57 0.13 -1.93 0.15 132.00 141.64 2fs9 h PRO 92 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2fs9 h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2fs9 h PRO 92 CO 0.95 0.00 -0.01 1.04 -0.23 0.00 0.00 178.00 179.75 2fs9 n GLN 93 N -3.61 1.04 -3.30 0.86 1.13 -1.26 -4.89 117.38 107.35 2fs9 n GLN 93 Ca 0.12 -0.19 -0.39 0.00 -1.94 0.00 0.00 57.00 54.61 2fs9 n GLN 93 Cb 0.87 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.66 2fs9 n GLN 93 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2fs9 s PHE 94 N -2.09 3.75 0.00 1.08 5.36 0.51 -4.77 117.98 121.82 2fs9 s PHE 94 Ca 0.43 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 2fs9 s PHE 94 Cb 0.22 -2.49 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 2fs9 s PHE 94 CO 0.38 0.52 0.00 0.98 -1.46 0.00 0.00 175.22 175.64 2fs9 n TYR 95 N 2.06 -0.17 -3.91 10.12 9.36 -1.26 -4.87 117.16 128.49 2fs9 n TYR 95 Ca -0.10 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.02 2fs9 n TYR 95 Cb 0.51 0.32 -0.11 0.00 -0.63 0.00 0.00 39.34 39.43 2fs9 n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2fs9 s THR 96 N -1.63 0.09 0.30 2.97 -4.23 -1.26 -4.50 115.64 107.38 2fs9 s THR 96 Ca 0.00 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 2fs9 s THR 96 Cb 0.00 -0.34 0.29 0.00 1.34 0.00 0.00 72.50 73.79 2fs9 s THR 96 CO 0.00 -0.39 1.87 0.00 -0.54 0.00 0.00 174.62 175.56 2fs9 h ALA 97 N 4.57 1.57 -0.29 3.99 0.00 -1.95 -2.00 119.26 125.14 2fs9 h ALA 97 Ca -0.31 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2fs9 h ALA 97 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2fs9 h ALA 97 CO 0.41 0.24 -0.13 1.96 0.00 0.00 0.00 179.25 181.73 2fs9 h GLN 98 N 0.97 0.50 -0.22 0.00 7.50 -1.97 -2.72 115.11 119.17 2fs9 h GLN 98 Ca 0.44 -0.15 -0.08 0.00 0.50 0.00 0.00 58.65 59.36 2fs9 h GLN 98 Cb 0.40 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.87 2fs9 h GLN 98 CO -0.20 0.63 -0.17 0.82 -1.50 0.00 0.00 178.83 178.41 2fs9 h ILE 99 N 0.46 1.32 0.00 2.54 2.04 -1.78 -3.47 117.51 118.63 2fs9 h ILE 99 Ca 0.08 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2fs9 h ILE 99 Cb 0.51 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2fs9 h ILE 99 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.19 2fs9 n GLY 100 N 0.10 0.75 3.52 5.37 0.00 -0.89 -5.00 105.19 109.04 2fs9 n GLY 100 Ca -0.05 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 2fs9 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs9 n ALA 101 N -1.00 -1.26 -2.34 4.61 0.00 -1.26 -4.42 120.51 114.84 2fs9 n ALA 101 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2fs9 n ALA 101 Cb 0.00 -5.31 0.00 0.00 0.00 0.00 0.00 19.45 14.14 2fs9 n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fs9 n ASP 102 N -2.95 4.74 -3.73 0.00 2.03 -1.26 -4.35 116.55 111.03 2fs9 n ASP 102 Ca -0.01 -2.97 -0.13 0.00 0.52 0.00 0.00 54.79 52.20 2fs9 n ASP 102 Cb 0.57 -1.61 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 2fs9 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2fs9 s ILE 103 N 2.23 0.01 0.20 5.18 2.07 -1.26 -3.74 121.20 125.88 2fs9 s ILE 103 Ca 0.45 -0.11 -0.13 0.00 -1.41 0.00 0.00 60.65 59.46 2fs9 s ILE 103 Cb 0.07 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2fs9 s ILE 103 CO -0.01 -0.06 0.41 0.00 -1.91 0.00 0.00 174.94 173.38 2fs9 s ALA 104 N -0.19 -0.37 0.02 1.50 0.00 -0.12 -2.61 121.76 120.00 2fs9 s ALA 104 Ca -0.04 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2fs9 s ALA 104 Cb -0.03 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 2fs9 s ALA 104 CO 0.02 -0.75 -0.18 -0.51 0.00 0.00 0.00 175.76 174.34 2fs9 s LEU 105 N -2.95 2.12 -0.17 0.00 1.43 0.33 -1.82 118.68 117.62 2fs9 s LEU 105 Ca 0.16 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2fs9 s LEU 105 Cb 0.01 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.39 2fs9 s LEU 105 CO 0.01 0.15 -0.20 -0.76 0.23 0.00 0.00 176.35 175.79 2fs9 s LEU 106 N -0.87 2.08 -0.21 1.79 1.43 0.10 -0.22 118.68 122.78 2fs9 s LEU 106 Ca 0.06 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2fs9 s LEU 106 Cb -0.08 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2fs9 s LEU 106 CO 0.01 0.01 0.29 -0.70 0.23 0.00 0.00 176.35 176.19 2fs9 s GLU 107 N 1.22 4.14 0.72 1.70 2.12 -0.47 -0.98 118.70 127.15 2fs9 s GLU 107 Ca 0.03 0.00 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2fs9 s GLU 107 Cb -0.13 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.75 2fs9 s GLU 107 CO -0.11 0.02 1.07 -0.51 -0.54 0.00 0.00 175.26 175.19 2fs9 s LEU 108 N 1.15 2.97 0.38 2.70 1.43 -0.74 -0.80 118.68 125.76 2fs9 s LEU 108 Ca 0.14 1.47 0.27 0.00 -1.03 0.00 0.00 54.13 54.99 2fs9 s LEU 108 Cb -0.14 -4.29 0.93 0.00 0.03 0.00 0.00 46.19 42.72 2fs9 s LEU 108 CO 0.06 -1.53 1.79 -0.33 0.23 0.00 0.00 176.35 176.57 2fs9 h GLU 109 N -0.78 0.00 -3.05 1.70 5.08 -1.82 -3.40 114.58 112.32 2fs9 h GLU 109 Ca -0.45 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2fs9 h GLU 109 Cb 1.23 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 2fs9 h GLU 109 CO 0.58 0.00 -0.12 -1.21 -1.00 0.00 0.00 179.01 177.26 2fs9 s GLU 110 N -3.35 0.90 0.45 2.33 8.01 -1.26 -5.01 118.70 120.77 2fs9 s GLU 110 Ca 0.05 -0.36 -0.23 0.00 0.01 0.00 0.00 54.97 54.43 2fs9 s GLU 110 Cb 0.09 0.40 -0.07 0.00 -4.31 0.00 0.00 34.13 30.24 2fs9 s GLU 110 CO 0.54 -0.31 1.20 -2.14 0.01 0.00 0.00 175.26 174.56 2fs9 s PRO 111 N -2.43 3.76 0.17 0.39 0.02 -1.26 -4.78 135.00 130.87 2fs9 s PRO 111 Ca -0.06 1.87 -0.07 0.00 0.02 0.00 0.00 61.00 62.76 2fs9 s PRO 111 Cb -0.01 -2.47 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 2fs9 s PRO 111 CO -0.02 -0.57 0.44 0.14 -0.33 0.00 0.00 177.00 176.66 2fs9 s VAL 112 N -1.47 5.08 -0.31 3.83 -7.23 0.11 -4.99 120.40 115.41 2fs9 s VAL 112 Ca 0.63 0.21 -0.24 0.00 -1.81 0.00 0.00 61.98 60.77 2fs9 s VAL 112 Cb -0.31 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.01 2fs9 s VAL 112 CO 0.38 0.01 0.80 -0.54 -0.31 0.00 0.00 175.10 175.43 2fs9 s LYS 113 N -2.69 3.94 0.64 4.82 3.01 -1.26 -4.82 119.74 123.38 2fs9 s LYS 113 Ca 0.43 0.57 -0.11 0.00 -1.01 0.00 0.00 55.97 55.85 2fs9 s LYS 113 Cb -0.12 -3.74 -0.03 0.00 -1.01 0.00 0.00 37.83 32.94 2fs9 s LYS 113 CO 0.23 -0.71 1.04 0.14 0.51 0.00 0.00 175.35 176.56 2fs9 s VAL 114 N 3.00 4.46 0.36 3.17 -7.23 -1.26 -4.95 120.40 117.95 2fs9 s VAL 114 Ca 0.33 0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 61.17 2fs9 s VAL 114 Cb -0.14 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.16 2fs9 s VAL 114 CO 0.13 -1.01 0.84 -0.94 -0.31 0.00 0.00 175.10 173.81 2fs9 s SER 115 N -3.95 0.04 0.52 4.85 1.04 0.04 -4.96 113.70 111.28 2fs9 s SER 115 Ca 0.56 -1.13 0.22 0.00 0.48 0.00 0.00 55.95 56.08 2fs9 s SER 115 Cb -0.12 0.81 1.38 0.00 0.10 0.00 0.00 66.02 68.19 2fs9 s SER 115 CO 0.52 -1.61 2.11 -1.28 0.98 0.00 0.00 173.24 173.96 2fs9 h SER 116 N 2.00 0.00 0.44 7.02 0.87 -2.01 -2.15 113.55 119.73 2fs9 h SER 116 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2fs9 h SER 116 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2fs9 h SER 116 CO 0.42 0.09 -1.15 1.57 -0.53 0.00 0.00 176.83 177.22 2fs9 n HIS 117 N -4.07 0.32 -3.38 2.24 -0.00 -1.26 -4.80 115.22 104.27 2fs9 n HIS 117 Ca -0.03 0.09 -0.16 0.00 -0.00 0.00 0.00 57.72 57.63 2fs9 n HIS 117 Cb 0.17 -0.51 -0.09 0.00 -0.00 0.00 0.00 29.99 29.57 2fs9 n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2fs9 s VAL 118 N -3.26 -0.42 0.32 3.57 1.01 -0.81 -4.57 120.40 116.24 2fs9 s VAL 118 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2fs9 s VAL 118 Cb 0.14 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2fs9 s VAL 118 CO 0.82 -0.46 0.37 -1.38 0.00 0.00 0.00 175.10 174.45 2fs9 s HIS 119 N 2.24 1.25 0.58 5.22 -3.43 -0.90 -0.78 115.29 119.48 2fs9 s HIS 119 Ca 0.11 -1.39 -0.15 0.00 -0.80 0.00 0.00 55.06 52.82 2fs9 s HIS 119 Cb -0.14 -0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 30.65 2fs9 s HIS 119 CO -0.28 -0.99 1.04 0.95 -2.00 0.00 0.00 174.74 173.46 2fs9 s THR 120 N -3.36 4.01 0.17 -5.38 -4.23 -1.26 -3.19 115.64 102.40 2fs9 s THR 120 Ca 0.34 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 61.75 2fs9 s THR 120 Cb 0.01 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 2fs9 s THR 120 CO 0.21 -0.59 0.37 0.54 -0.54 0.00 0.00 174.62 174.61 2fs9 s VAL 121 N -2.55 5.20 -0.08 2.29 0.11 0.27 -4.88 120.40 120.76 2fs9 s VAL 121 Ca 0.62 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 59.28 2fs9 s VAL 121 Cb -0.14 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2fs9 s VAL 121 CO 0.37 -0.06 0.58 -0.89 -3.33 0.00 0.00 175.10 171.78 2fs9 s THR 122 N -1.75 5.08 0.29 5.04 2.01 -1.24 -4.64 115.64 120.43 2fs9 s THR 122 Ca 0.39 1.18 -0.23 0.00 0.31 0.00 0.00 61.69 63.35 2fs9 s THR 122 Cb -0.12 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 2fs9 s THR 122 CO 0.27 0.32 0.86 -0.76 -0.69 0.00 0.00 174.62 174.62 2fs9 s LEU 123 N 0.50 4.31 0.51 4.42 1.43 -1.26 -1.34 118.68 127.25 2fs9 s LEU 123 Ca 0.31 1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 54.87 2fs9 s LEU 123 Cb -0.17 -3.89 -0.07 0.00 0.03 0.00 0.00 46.19 42.09 2fs9 s LEU 123 CO 0.14 -0.05 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 2fs9 s PRO 124 N -2.12 3.64 0.48 1.29 0.04 -1.26 -4.86 135.00 132.20 2fs9 s PRO 124 Ca 0.48 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 2fs9 s PRO 124 Cb -0.17 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2fs9 s PRO 124 CO 0.22 -0.57 1.23 -2.14 0.04 0.00 0.00 177.00 175.78 2fs9 s PRO 125 N -3.38 3.58 0.65 0.56 0.02 -1.26 -4.86 135.00 130.31 2fs9 s PRO 125 Ca 0.68 1.94 0.22 0.00 0.02 0.00 0.00 61.00 63.86 2fs9 s PRO 125 Cb -0.18 -2.38 1.15 0.00 0.02 0.00 0.00 34.50 33.11 2fs9 s PRO 125 CO 0.24 -0.75 1.64 0.00 -0.33 0.00 0.00 177.00 177.80 2fs9 h ALA 126 N 1.90 1.68 -0.57 -1.55 0.00 -1.95 -1.88 119.26 116.88 2fs9 h ALA 126 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2fs9 h ALA 126 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2fs9 h ALA 126 CO 0.59 -0.62 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 2fs9 n SER 127 N -2.89 3.18 -4.69 0.00 3.41 -1.26 -4.94 113.62 106.43 2fs9 n SER 127 Ca 0.01 -2.04 -0.40 0.00 -0.26 0.00 0.00 58.87 56.18 2fs9 n SER 127 Cb 0.63 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 2fs9 n SER 127 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fs9 s GLU 128 N -1.28 4.33 -0.00 4.33 2.56 -0.71 -4.95 118.70 122.97 2fs9 s GLU 128 Ca 0.39 0.79 0.18 0.00 0.00 0.00 0.00 54.97 56.33 2fs9 s GLU 128 Cb 0.21 -3.51 -0.20 0.00 2.00 0.00 0.00 34.13 32.63 2fs9 s GLU 128 CO 0.26 -0.11 0.76 2.41 -0.56 0.00 0.00 175.26 178.02 2fs9 n THR 129 N 4.26 0.00 -3.20 -1.70 -1.04 -1.26 -4.91 114.28 106.44 2fs9 n THR 129 Ca -0.00 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.70 2fs9 n THR 129 Cb 0.50 0.98 0.02 0.00 -1.82 0.00 0.00 70.33 70.02 2fs9 n THR 129 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2fs9 n PHE 130 N -1.44 -2.85 -1.02 -1.42 3.72 -1.26 -4.94 117.46 108.25 2fs9 n PHE 130 Ca 0.03 1.18 -0.30 0.00 -0.05 0.00 0.00 57.45 58.31 2fs9 n PHE 130 Cb 0.28 -2.68 0.14 0.00 -0.94 0.00 0.00 39.48 36.29 2fs9 n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs9 s PRO 131 N -2.34 1.25 0.42 -1.08 0.05 -1.26 -4.93 135.00 127.10 2fs9 s PRO 131 Ca 0.28 1.11 -0.26 0.00 0.05 0.00 0.00 61.00 62.19 2fs9 s PRO 131 Cb -0.05 -1.79 -0.08 0.00 0.05 0.00 0.00 34.50 32.63 2fs9 s PRO 131 CO 0.76 -2.33 1.32 -1.25 0.05 0.00 0.00 177.00 175.55 2fs9 s PRO 132 N -4.80 3.89 0.00 0.56 0.04 -1.26 -3.86 135.00 129.56 2fs9 s PRO 132 Ca 0.64 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.86 2fs9 s PRO 132 Cb -0.20 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2fs9 s PRO 132 CO 0.58 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2fs9 n GLY 133 N 0.65 1.98 1.06 0.56 0.00 -1.23 -4.99 105.19 103.23 2fs9 n GLY 133 Ca 0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2fs9 n GLY 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fs9 n MET 134 N 0.00 0.00 -1.68 1.61 2.81 -1.25 -4.62 117.12 113.99 2fs9 n MET 134 Ca 0.00 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.42 2fs9 n MET 134 Cb 0.00 -0.44 -0.04 0.00 -0.71 0.00 0.00 33.22 32.02 2fs9 n MET 134 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2fs9 n PRO 135 N 1.53 2.22 -4.29 0.03 -0.04 -1.26 -4.65 135.00 128.54 2fs9 n PRO 135 Ca 0.12 0.81 -0.17 0.00 -0.04 0.00 0.00 63.50 64.21 2fs9 n PRO 135 Cb -0.02 -2.62 -0.10 0.00 -0.04 0.00 0.00 33.50 30.72 2fs9 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fs9 s TRP 137 N -2.80 1.23 -0.02 0.00 0.52 0.75 -2.22 118.94 116.40 2fs9 s TRP 137 Ca 0.17 -0.57 0.04 0.00 0.02 0.00 0.00 56.10 55.75 2fs9 s TRP 137 Cb -0.01 -0.66 -0.01 0.00 -1.15 0.00 0.00 33.47 31.64 2fs9 s TRP 137 CO 0.04 0.07 -0.13 0.54 0.02 0.00 0.00 176.95 177.49 2fs9 s VAL 138 N -2.07 1.04 0.22 4.03 0.11 -0.83 -0.87 120.40 122.03 2fs9 s VAL 138 Ca 0.05 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 2fs9 s VAL 138 Cb -0.05 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2fs9 s VAL 138 CO 0.02 0.30 -0.07 0.42 -3.33 0.00 0.00 175.10 172.44 2fs9 s THR 139 N -0.16 1.36 0.00 5.04 -4.23 -1.19 -1.97 115.64 114.50 2fs9 s THR 139 Ca 0.02 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2fs9 s THR 139 Cb -0.07 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2fs9 s THR 139 CO 0.00 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 2fs9 n GLY 140 N -0.39 0.90 1.16 3.99 0.00 -0.91 -4.44 105.19 105.49 2fs9 n GLY 140 Ca -0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 2fs9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fs9 n TRP 141 N -1.06 1.20 -2.07 1.61 8.01 -1.26 -2.07 117.44 121.79 2fs9 n TRP 141 Ca 0.00 -1.38 -0.29 0.00 -1.31 0.00 0.00 57.50 54.52 2fs9 n TRP 141 Cb 0.00 -0.47 0.19 0.00 -2.01 0.00 0.00 31.31 29.02 2fs9 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2fs9 s GLY 142 N -2.24 1.81 0.51 6.99 0.00 -1.26 -4.70 107.32 108.43 2fs9 s GLY 142 Ca 0.45 -1.42 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 2fs9 s GLY 142 CO 0.04 -0.64 0.86 1.22 0.00 0.00 0.00 173.10 174.58 2fs9 n ASP 143 N -3.66 0.48 -0.63 1.64 8.00 0.53 -2.54 116.55 120.37 2fs9 n ASP 143 Ca 0.17 0.89 0.09 0.00 0.71 0.00 0.00 54.79 56.65 2fs9 n ASP 143 Cb 0.59 -1.31 0.30 0.00 -0.02 0.00 0.00 41.12 40.69 2fs9 n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2fs9 n VAL 144 N -1.16 0.32 0.00 2.53 0.24 -0.92 -1.27 118.33 118.07 2fs9 n VAL 144 Ca 0.11 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2fs9 n VAL 144 Cb 0.43 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 2fs9 n VAL 144 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fs9 n ASP 145 N 0.47 0.00 -4.68 -1.34 -0.08 -1.24 -4.42 116.55 105.26 2fs9 n ASP 145 Ca 0.15 0.00 -0.47 0.00 -1.51 0.00 0.00 54.79 52.96 2fs9 n ASP 145 Cb 0.34 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.76 2fs9 n ASP 145 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2fs9 n ASN 146 N 0.00 3.48 0.00 1.67 3.02 -1.26 -2.21 115.26 119.96 2fs9 n ASN 146 Ca 0.00 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 2fs9 n ASN 146 Cb 0.00 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.77 2fs9 n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2fs9 n ASP 147 N 6.09 -4.68 -3.99 6.41 9.92 -1.26 -4.98 116.55 124.07 2fs9 n ASP 147 Ca 0.21 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.17 2fs9 n ASP 147 Cb 0.31 -2.43 -0.16 0.00 -0.64 0.00 0.00 41.12 38.19 2fs9 n ASP 147 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2fs9 s GLU 149 N -1.28 1.98 0.78 -1.24 -1.05 -0.94 -5.12 118.70 111.83 2fs9 s GLU 149 Ca 0.00 -0.81 -0.11 0.00 -0.15 0.00 0.00 54.97 53.90 2fs9 s GLU 149 Cb 0.00 -2.37 0.06 0.00 -0.44 0.00 0.00 34.13 31.38 2fs9 s GLU 149 CO 0.00 -0.42 1.11 1.03 0.95 0.00 0.00 175.26 177.92 2fs9 s ARG 150 N 1.42 2.15 0.00 -4.83 1.81 -1.26 -2.16 118.95 116.08 2fs9 s ARG 150 Ca -0.01 1.28 0.00 0.00 -1.72 0.00 0.00 55.73 55.28 2fs9 s ARG 150 Cb -0.16 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 2fs9 s ARG 150 CO -0.08 -1.74 0.00 -0.11 -0.68 0.00 0.00 175.30 172.69 2fs9 n LEU 151 N -3.44 0.00 -0.35 2.53 7.94 -1.26 -4.53 117.00 117.89 2fs9 n LEU 151 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2fs9 n LEU 151 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2fs9 n LEU 151 CO 0.52 -0.34 0.00 -0.81 -1.11 0.00 0.00 177.39 175.65 2fs9 n PRO 152 N -0.06 0.00 -3.20 1.96 -0.04 -1.26 -5.02 135.00 127.38 2fs9 n PRO 152 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2fs9 n PRO 152 Cb 0.00 -0.31 0.01 0.00 -0.04 0.00 0.00 33.50 33.15 2fs9 n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fs9 n PHE 153 N 0.02 -2.78 -3.03 0.54 3.72 -1.26 -3.76 117.46 110.91 2fs9 n PHE 153 Ca 0.00 1.05 -0.34 0.00 -0.05 0.00 0.00 57.45 58.12 2fs9 n PHE 153 Cb 0.00 -3.89 -0.06 0.00 -0.94 0.00 0.00 39.48 34.59 2fs9 n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs9 s PRO 154 N -3.48 4.14 0.03 -1.08 0.04 -1.26 -1.73 135.00 131.66 2fs9 s PRO 154 Ca 0.04 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2fs9 s PRO 154 Cb -0.01 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 2fs9 s PRO 154 CO 0.78 0.16 1.56 -1.17 0.04 0.00 0.00 177.00 178.37 2fs9 s LEU 155 N -2.80 4.34 0.27 -3.56 2.96 -0.78 -4.79 118.68 114.32 2fs9 s LEU 155 Ca 0.54 2.32 0.07 0.00 -0.22 0.00 0.00 54.13 56.84 2fs9 s LEU 155 Cb -0.12 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2fs9 s LEU 155 CO 0.17 -0.83 0.23 -0.54 -1.32 0.00 0.00 176.35 174.06 2fs9 s LYS 156 N 2.72 2.92 0.06 1.98 1.02 -0.88 -0.75 119.74 126.80 2fs9 s LYS 156 Ca 0.70 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2fs9 s LYS 156 Cb -0.36 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2fs9 s LYS 156 CO 0.30 0.34 -0.05 1.14 -0.92 0.00 0.00 175.35 176.16 2fs9 s GLN 157 N -3.89 0.61 -0.27 1.68 -2.07 -0.49 -2.15 119.66 113.09 2fs9 s GLN 157 Ca 0.35 -1.09 -0.24 0.00 -1.82 0.00 0.00 55.36 52.55 2fs9 s GLN 157 Cb -0.08 0.02 0.08 0.00 -1.09 0.00 0.00 33.01 31.95 2fs9 s GLN 157 CO 0.26 -0.06 0.78 0.54 -1.32 0.00 0.00 175.29 175.49 2fs9 s VAL 158 N -3.12 0.00 -0.15 3.63 0.11 -0.83 -1.95 120.40 118.09 2fs9 s VAL 158 Ca 0.02 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 2fs9 s VAL 158 Cb 0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2fs9 s VAL 158 CO -0.06 0.00 0.84 -0.75 -3.33 0.00 0.00 175.10 171.81 2fs9 s LYS 159 N 0.44 4.33 -0.06 1.54 2.20 -1.26 -1.97 119.74 124.97 2fs9 s LYS 159 Ca -0.00 1.06 0.06 0.00 -0.36 0.00 0.00 55.97 56.73 2fs9 s LYS 159 Cb -0.05 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2fs9 s LYS 159 CO -0.02 -0.29 -0.25 0.14 -0.36 0.00 0.00 175.35 174.57 2fs9 s VAL 160 N 1.99 2.04 0.00 4.02 -7.23 -0.94 -4.89 120.40 115.39 2fs9 s VAL 160 Ca 0.40 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 2fs9 s VAL 160 Cb -0.17 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 2fs9 s VAL 160 CO 0.14 0.57 1.01 -2.16 -0.31 0.00 0.00 175.10 174.34 2fs9 s PRO 161 N -0.15 4.54 0.37 4.82 0.04 -1.26 -4.00 135.00 139.36 2fs9 s PRO 161 Ca -0.04 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 2fs9 s PRO 161 Cb -0.14 -3.45 -0.10 0.00 0.04 0.00 0.00 34.50 30.85 2fs9 s PRO 161 CO 0.04 -0.09 0.91 0.42 0.04 0.00 0.00 177.00 178.32 2fs9 s ILE 162 N 1.08 4.37 0.03 0.56 1.01 -1.26 -1.80 121.20 125.19 2fs9 s ILE 162 Ca 0.53 1.54 0.02 0.00 0.00 0.00 0.00 60.65 62.73 2fs9 s ILE 162 Cb -0.22 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2fs9 s ILE 162 CO 0.28 -0.12 -0.07 -0.04 0.00 0.00 0.00 174.94 174.99 2fs9 s MET 163 N -2.71 0.48 0.44 2.79 -1.94 -1.05 -3.52 119.30 113.79 2fs9 s MET 163 Ca 0.56 -0.56 -0.24 0.00 -1.71 0.00 0.00 55.69 53.74 2fs9 s MET 163 Cb -0.13 -0.31 -0.09 0.00 2.01 0.00 0.00 34.83 36.31 2fs9 s MET 163 CO 0.17 0.07 1.20 0.39 -0.01 0.00 0.00 175.02 176.84 2fs9 n GLU 164 N 1.98 1.70 -0.16 2.03 1.02 -1.26 -4.36 120.64 121.59 2fs9 n GLU 164 Ca -0.19 0.61 -0.03 0.00 -0.02 0.00 0.00 57.16 57.53 2fs9 n GLU 164 Cb 0.56 -2.31 0.05 0.00 -0.02 0.00 0.00 31.44 29.72 2fs9 n GLU 164 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2fs9 h ASN 165 N 1.79 -0.33 0.20 1.62 4.21 -1.93 -1.90 115.58 119.25 2fs9 h ASN 165 Ca -0.47 0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.14 2fs9 h ASN 165 Cb 1.31 0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 38.76 2fs9 h ASN 165 CO 0.58 -0.12 -0.14 1.12 -1.29 0.00 0.00 177.43 177.59 2fs9 h HIS 166 N 0.06 0.00 -0.13 1.19 2.07 -1.92 0.31 115.15 116.73 2fs9 h HIS 166 Ca 0.24 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.57 2fs9 h HIS 166 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2fs9 h HIS 166 CO -0.36 0.14 -0.70 0.82 -3.07 0.00 0.00 177.93 174.75 2fs9 h ILE 167 N 0.00 1.33 -0.11 6.12 5.03 -1.72 -2.58 117.51 125.58 2fs9 h ILE 167 Ca -0.00 -2.00 -0.20 0.00 -0.12 0.00 0.00 64.86 62.54 2fs9 h ILE 167 Cb 0.28 1.98 0.00 0.00 -3.03 0.00 0.00 36.82 36.05 2fs9 h ILE 167 CO 0.02 0.62 -0.73 0.00 -0.68 0.00 0.00 178.15 177.37 2fs9 h ASP 169 N 0.38 0.57 0.22 0.00 3.58 -0.91 -1.13 116.42 119.12 2fs9 h ASP 169 Ca -0.03 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2fs9 h ASP 169 Cb 1.32 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2fs9 h ASP 169 CO 0.14 0.41 -0.10 0.00 -2.88 0.00 0.00 179.24 176.80 2fs9 h ALA 170 N 1.21 -0.29 -0.96 -0.78 0.00 -1.41 -2.52 119.26 114.51 2fs9 h ALA 170 Ca 0.20 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2fs9 h ALA 170 Cb -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 2fs9 h ALA 170 CO -0.06 -0.64 0.54 0.87 0.00 0.00 0.00 179.25 179.95 2fs9 h LYS 171 N -0.33 0.57 0.00 0.00 1.57 -1.09 0.49 116.57 117.78 2fs9 h LYS 171 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2fs9 h LYS 171 Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2fs9 h LYS 171 CO 0.05 0.38 0.00 1.88 -0.57 0.00 0.00 179.45 181.19 2fs9 h TYR 172 N 0.59 0.00 0.00 -1.35 0.05 -0.78 -1.87 116.97 113.61 2fs9 h TYR 172 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.37 2fs9 h TYR 172 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2fs9 h TYR 172 CO -0.04 0.00 -0.56 0.45 -1.05 0.00 0.00 178.16 176.96 2fs9 h HIS 173 N 0.00 0.00 -3.50 4.88 3.86 0.18 -3.43 115.15 117.13 2fs9 h HIS 173 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2fs9 h HIS 173 Cb 0.30 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.80 2fs9 h HIS 173 CO 0.00 0.00 0.62 -0.51 0.86 0.00 0.00 177.93 178.90 2fs9 s LEU 173 N -4.35 4.43 -1.52 2.43 1.43 -0.70 -2.56 118.68 117.84 2fs9 s LEU 173 Ca 0.06 2.40 -0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2fs9 s LEU 173 Cb 0.13 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2fs9 s LEU 173 CO 0.71 -0.47 0.06 0.61 0.23 0.00 0.00 176.35 177.50 2fs9 n GLY 173 N 2.02 -0.38 3.06 -3.19 0.00 -1.26 -5.00 105.19 100.45 2fs9 n GLY 173 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2fs9 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs9 s ALA 173 N -2.93 0.36 -0.35 4.61 0.00 -1.06 -5.05 121.76 117.34 2fs9 s ALA 173 Ca 0.03 -0.99 0.22 0.00 0.00 0.00 0.00 51.96 51.22 2fs9 s ALA 173 Cb -0.01 0.24 0.20 0.00 0.00 0.00 0.00 23.12 23.55 2fs9 s ALA 173 CO 0.04 -0.31 1.40 1.88 0.00 0.00 0.00 175.76 178.77 2fs9 h TYR 173 N 3.59 0.00 -2.56 0.00 0.05 -1.94 -3.47 116.97 112.64 2fs9 h TYR 173 Ca -0.33 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.86 2fs9 h TYR 173 Cb 1.16 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.98 2fs9 h TYR 173 CO 0.57 0.04 0.61 2.41 -1.05 0.00 0.00 178.16 180.74 2fs9 n THR 173 N -2.96 0.81 0.00 -2.88 -1.04 -1.26 -5.16 114.28 101.78 2fs9 n THR 173 Ca 0.02 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2fs9 n THR 173 Cb 0.55 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 2fs9 n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fs9 n GLY 173 N 2.31 -2.56 0.00 3.41 0.00 -1.26 -4.94 105.19 102.15 2fs9 n GLY 173 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2fs9 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs9 n ASP 173 N 0.00 0.00 -4.47 1.61 8.00 -1.26 -4.70 116.55 115.73 2fs9 n ASP 173 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2fs9 n ASP 173 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2fs9 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fs9 s VAL 173 N 0.00 4.77 0.19 2.53 1.01 -1.26 -5.01 120.40 122.63 2fs9 s VAL 173 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 2fs9 s VAL 173 Cb 0.00 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 2fs9 s VAL 173 CO 0.00 -0.85 1.53 -0.60 0.00 0.00 0.00 175.10 175.18 2fs9 s ARG 174 N 2.92 4.23 -0.14 2.72 6.06 -1.26 -4.94 118.95 128.54 2fs9 s ARG 174 Ca 0.19 2.35 -0.14 0.00 -2.50 0.00 0.00 55.73 55.63 2fs9 s ARG 174 Cb -0.17 -3.14 -0.06 0.00 0.06 0.00 0.00 34.95 31.64 2fs9 s ARG 174 CO 0.14 -0.55 -0.28 -0.89 -2.50 0.00 0.00 175.30 171.22 2fs9 n ILE 175 N 3.41 1.41 -2.74 4.11 5.41 -1.26 -4.84 119.36 124.86 2fs9 n ILE 175 Ca 0.11 0.11 -0.43 0.00 1.00 0.00 0.00 62.75 63.55 2fs9 n ILE 175 Cb 0.39 -2.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.16 2fs9 n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fs9 s VAL 176 N -2.67 4.28 0.67 1.39 1.01 -1.26 -5.01 120.40 118.81 2fs9 s VAL 176 Ca -0.24 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 2fs9 s VAL 176 Cb 0.05 -4.57 0.02 0.00 0.00 0.00 0.00 36.38 31.88 2fs9 s VAL 176 CO 0.35 -1.10 1.01 -0.13 0.00 0.00 0.00 175.10 175.23 2fs9 s ARG 177 N 4.24 2.72 0.47 2.72 0.52 -1.26 -4.84 118.95 123.52 2fs9 s ARG 177 Ca 0.38 0.14 0.12 0.00 -0.52 0.00 0.00 55.73 55.85 2fs9 s ARG 177 Cb -0.10 -2.14 1.08 0.00 0.52 0.00 0.00 34.95 34.31 2fs9 s ARG 177 CO 0.24 -0.97 2.10 -0.44 0.02 0.00 0.00 175.30 176.25 2fs9 h ASP 178 N -0.48 0.23 -0.14 0.23 3.32 -1.98 -0.69 116.42 116.91 2fs9 h ASP 178 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2fs9 h ASP 178 Cb 1.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2fs9 h ASP 178 CO 0.62 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.41 2fs9 n ASP 179 N -4.50 1.94 -4.36 6.45 5.75 -1.26 -4.82 116.55 115.75 2fs9 n ASP 179 Ca 0.01 -2.19 -0.19 0.00 -0.01 0.00 0.00 54.79 52.41 2fs9 n ASP 179 Cb 0.10 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.60 2fs9 n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fs9 s MET 180 N -1.44 1.37 -0.00 0.11 -1.94 -0.27 -1.24 119.30 115.89 2fs9 s MET 180 Ca 0.12 -1.62 -0.02 0.00 -1.71 0.00 0.00 55.69 52.46 2fs9 s MET 180 Cb 0.09 -1.15 -0.00 0.00 2.01 0.00 0.00 34.83 35.77 2fs9 s MET 180 CO 0.04 0.17 0.04 -0.48 -0.01 0.00 0.00 175.02 174.79 2fs9 s LEU 181 N -3.34 1.90 0.11 -0.03 0.05 0.12 -4.64 118.68 112.85 2fs9 s LEU 181 Ca 0.24 -0.18 0.10 0.00 0.05 0.00 0.00 54.13 54.34 2fs9 s LEU 181 Cb -0.00 0.26 -0.04 0.00 -2.05 0.00 0.00 46.19 44.36 2fs9 s LEU 181 CO 0.08 -0.20 -0.25 0.00 -0.55 0.00 0.00 176.35 175.43 2fs9 s ALA 183 N -1.06 -1.61 0.00 0.00 0.00 -0.69 -2.53 121.76 115.88 2fs9 s ALA 183 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2fs9 s ALA 183 Cb -0.10 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2fs9 s ALA 183 CO 0.05 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2fs9 n GLY 184 N -0.02 1.98 0.00 0.00 0.00 -0.74 -2.00 105.19 104.41 2fs9 n GLY 184 Ca -0.18 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2fs9 n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fs9 n ASN 185 N 0.00 0.00 0.00 1.61 0.23 0.15 -4.69 115.26 112.56 2fs9 n ASN 185 Ca 0.00 -0.51 0.07 0.00 -0.53 0.00 0.00 54.58 53.61 2fs9 n ASN 185 Cb 0.00 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.08 2fs9 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2fs9 n THR 186 N 0.00 0.46 -0.04 5.53 -2.24 -1.26 -2.73 114.28 113.99 2fs9 n THR 186 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2fs9 n THR 186 Cb 0.00 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 2fs9 n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fs9 n ARG 187 N -1.21 4.27 -3.67 -0.78 1.74 -1.26 -4.81 116.66 110.93 2fs9 n ARG 187 Ca 0.08 -0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 2fs9 n ARG 187 Cb 0.10 -0.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.86 2fs9 n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fs9 s ARG 188 N -0.63 -0.03 -0.00 5.56 0.52 -1.11 -3.85 118.95 119.41 2fs9 s ARG 188 Ca 0.00 0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 55.37 2fs9 s ARG 188 Cb 0.00 -0.39 0.10 0.00 0.52 0.00 0.00 34.95 35.18 2fs9 s ARG 188 CO 0.00 -0.31 1.08 0.34 0.02 0.00 0.00 175.30 176.42 2fs9 s ASP 189 N 2.18 -0.19 0.35 0.23 2.15 -0.99 -0.68 116.67 119.72 2fs9 s ASP 189 Ca 0.04 -0.15 0.01 0.00 0.43 0.00 0.00 52.55 52.88 2fs9 s ASP 189 Cb -0.12 0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.78 2fs9 s ASP 189 CO -0.04 -0.54 0.55 -0.94 -0.17 0.00 0.00 175.17 174.03 2fs9 s SER 190 N -2.67 6.23 0.24 -0.34 1.04 -1.26 0.11 113.70 117.05 2fs9 s SER 190 Ca 0.10 0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.94 2fs9 s SER 190 Cb 0.00 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 2fs9 s SER 190 CO -0.04 -0.33 0.27 0.00 0.98 0.00 0.00 173.24 174.12 2fs9 n GLN 192 N -0.44 1.28 0.00 0.00 3.00 -1.26 -0.62 117.38 119.35 2fs9 n GLN 192 Ca 0.03 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2fs9 n GLN 192 Cb 0.43 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.62 2fs9 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fs9 n GLY 193 N 2.33 3.21 0.07 1.08 0.00 -1.26 -0.34 105.19 110.27 2fs9 n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2fs9 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs9 n ASP 194 N 0.00 0.70 -4.60 1.61 8.00 0.21 -3.97 116.55 118.49 2fs9 n ASP 194 Ca 0.00 0.07 -0.46 0.00 0.71 0.00 0.00 54.79 55.12 2fs9 n ASP 194 Cb 0.00 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 2fs9 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2fs9 n SER 195 N -2.18 1.56 0.00 -2.24 7.64 -1.26 -1.11 113.62 116.03 2fs9 n SER 195 Ca 0.02 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2fs9 n SER 195 Cb 0.46 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2fs9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fs9 n GLY 196 N 1.52 2.78 3.61 0.23 0.00 -0.13 0.08 105.19 113.29 2fs9 n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2fs9 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fs9 s GLY 197 N -2.02 1.56 0.14 -0.02 0.00 -0.27 -3.34 107.32 103.37 2fs9 s GLY 197 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 2fs9 s GLY 197 CO 0.00 0.14 0.34 2.56 0.00 0.00 0.00 173.10 176.15 2fs9 s PRO 198 N -5.10 3.55 -0.28 2.90 0.04 -1.26 -1.95 135.00 132.89 2fs9 s PRO 198 Ca 0.68 -0.24 0.03 0.00 0.04 0.00 0.00 61.00 61.50 2fs9 s PRO 198 Cb -0.15 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.57 2fs9 s PRO 198 CO 0.58 0.48 -0.04 -1.17 0.04 0.00 0.00 177.00 176.88 2fs9 s LEU 199 N -2.83 3.56 0.01 -3.56 2.96 -0.63 -3.14 118.68 115.05 2fs9 s LEU 199 Ca 0.39 -1.58 0.04 0.00 -0.22 0.00 0.00 54.13 52.76 2fs9 s LEU 199 Cb -0.12 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2fs9 s LEU 199 CO 0.27 -0.27 -0.09 0.68 -1.32 0.00 0.00 176.35 175.62 2fs9 s VAL 200 N 1.14 3.51 -0.07 1.68 -7.23 -0.05 -0.61 120.40 118.77 2fs9 s VAL 200 Ca -0.02 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2fs9 s VAL 200 Cb -0.19 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2fs9 s VAL 200 CO -0.07 0.39 -0.14 0.00 -0.31 0.00 0.00 175.10 174.97 2fs9 s LYS 202 N 0.57 4.00 -0.19 0.00 2.20 -1.24 -1.91 119.74 123.17 2fs9 s LYS 202 Ca -0.14 0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 56.45 2fs9 s LYS 202 Cb -0.15 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.45 2fs9 s LYS 202 CO 0.04 -0.99 -0.03 0.08 -0.36 0.00 0.00 175.35 174.09 2fs9 s VAL 203 N 3.81 1.06 -0.86 4.02 1.01 0.41 -4.76 120.40 125.09 2fs9 s VAL 203 Ca 0.46 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2fs9 s VAL 203 Cb -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2fs9 s VAL 203 CO 0.18 -0.01 0.74 -3.20 0.00 0.00 0.00 175.10 172.81 2fs9 n ASN 204 N 4.87 -3.54 0.00 3.32 5.15 -1.26 -3.01 115.26 120.80 2fs9 n ASN 204 Ca -0.11 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 2fs9 n ASN 204 Cb 0.47 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.14 2fs9 n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fs9 n GLY 205 N -1.31 0.29 3.00 8.20 0.00 -1.26 -5.00 105.19 109.10 2fs9 n GLY 205 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2fs9 n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fs9 s THR 206 N -1.60 0.55 -0.03 2.61 -4.23 -1.16 -5.12 115.64 106.66 2fs9 s THR 206 Ca 0.00 -0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 59.83 2fs9 s THR 206 Cb 0.00 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 2fs9 s THR 206 CO 0.00 0.07 0.78 0.26 -0.54 0.00 0.00 174.62 175.19 2fs9 s TRP 207 N -0.35 3.62 -0.03 3.99 0.52 -1.26 -0.44 118.94 124.98 2fs9 s TRP 207 Ca 0.01 1.40 0.05 0.00 0.02 0.00 0.00 56.10 57.58 2fs9 s TRP 207 Cb -0.04 -2.89 -0.01 0.00 -1.15 0.00 0.00 33.47 29.38 2fs9 s TRP 207 CO -0.00 0.09 -0.18 -0.51 0.02 0.00 0.00 176.95 176.36 2fs9 s LEU 208 N 0.73 1.99 -0.66 2.99 1.43 -0.80 -3.71 118.68 120.66 2fs9 s LEU 208 Ca 0.42 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.90 2fs9 s LEU 208 Cb -0.19 -0.99 0.04 0.00 0.03 0.00 0.00 46.19 45.08 2fs9 s LEU 208 CO 0.21 0.20 1.13 -1.58 0.23 0.00 0.00 176.35 176.54 2fs9 s GLN 209 N -0.22 3.26 0.24 1.70 0.74 -0.45 -1.37 119.66 123.56 2fs9 s GLN 209 Ca 0.02 -0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.21 2fs9 s GLN 209 Cb -0.09 -4.14 0.26 0.00 1.10 0.00 0.00 33.01 30.14 2fs9 s GLN 209 CO 0.01 -1.86 1.56 0.00 -0.55 0.00 0.00 175.29 174.44 2fs9 h ALA 210 N 9.70 0.86 -2.82 1.58 0.00 -1.21 -3.40 119.26 123.97 2fs9 h ALA 210 Ca -0.27 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.13 2fs9 h ALA 210 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2fs9 h ALA 210 CO 1.21 0.76 0.37 0.20 0.00 0.00 0.00 179.25 181.79 2fs9 s GLY 211 N -4.38 0.22 -0.11 0.00 0.00 -1.01 -2.03 107.32 100.02 2fs9 s GLY 211 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.18 2fs9 s GLY 211 CO 0.79 0.53 -0.22 0.14 0.00 0.00 0.00 173.10 174.34 2fs9 s VAL 212 N -2.47 1.95 -0.21 1.40 1.01 -0.46 -1.61 120.40 120.00 2fs9 s VAL 212 Ca 0.17 -0.94 -0.34 0.00 0.00 0.00 0.00 61.98 60.87 2fs9 s VAL 212 Cb -0.04 -1.70 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 2fs9 s VAL 212 CO 0.09 0.53 2.04 0.52 0.00 0.00 0.00 175.10 178.28 2fs9 n VAL 213 N 3.72 0.39 -0.00 2.92 0.31 -0.82 -0.52 118.33 124.33 2fs9 n VAL 213 Ca -0.20 -0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 2fs9 n VAL 213 Cb 0.52 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 2fs9 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2fs9 n SER 214 N 8.61 0.63 -1.66 4.52 2.88 -0.98 -0.96 113.62 126.66 2fs9 n SER 214 Ca 0.31 0.09 -0.03 0.00 -1.33 0.00 0.00 58.87 57.91 2fs9 n SER 214 Cb 0.29 -0.32 0.01 0.00 -0.75 0.00 0.00 64.21 63.44 2fs9 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2fs9 n TRP 215 N -3.10 -1.48 0.00 0.66 4.27 -0.86 -4.93 117.44 112.00 2fs9 n TRP 215 Ca -0.02 -0.68 0.00 0.00 -3.89 0.00 0.00 57.50 52.91 2fs9 n TRP 215 Cb 0.09 0.34 0.00 0.00 -1.36 0.00 0.00 31.31 30.38 2fs9 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2fs9 n GLY 216 N -0.20 1.59 3.46 -1.67 0.00 -1.26 -0.89 105.19 106.23 2fs9 n GLY 216 Ca -0.03 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2fs9 n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fs9 s GLU 217 N -2.00 3.31 2.71 1.61 2.12 -1.26 -4.87 118.70 120.32 2fs9 s GLU 217 Ca 0.00 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.19 2fs9 s GLU 217 Cb 0.00 -4.54 0.00 0.00 0.26 0.00 0.00 34.13 29.85 2fs9 s GLU 217 CO 0.00 -1.85 0.00 0.41 -0.54 0.00 0.00 175.26 173.28 2fs9 n GLY 219 N 5.51 -0.36 2.85 -1.50 0.00 -1.26 -4.65 105.19 105.78 2fs9 n GLY 219 Ca 0.08 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 2fs9 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs9 n ALA 221 N 3.84 -0.93 -2.35 0.00 0.00 -1.26 -4.72 120.51 115.09 2fs9 n ALA 221 Ca -0.23 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2fs9 n ALA 221 Cb 0.52 -2.53 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 2fs9 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fs9 s GLN 221 N -5.57 3.79 0.18 0.00 -1.52 -1.26 -4.24 119.66 111.04 2fs9 s GLN 221 Ca 0.23 0.32 -0.33 0.00 -1.95 0.00 0.00 55.36 53.63 2fs9 s GLN 221 Cb -0.11 -2.56 -0.13 0.00 -0.22 0.00 0.00 33.01 29.99 2fs9 s GLN 221 CO 0.28 0.20 1.67 -2.30 -0.25 0.00 0.00 175.29 174.89 2fs9 n PRO 222 N -0.57 2.52 -2.91 2.91 -0.02 -1.26 -2.42 135.00 133.25 2fs9 n PRO 222 Ca 0.01 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.18 2fs9 n PRO 222 Cb 0.53 -2.73 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 2fs9 n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fs9 n ASN 223 N 3.86 -5.75 -2.99 2.55 5.03 -1.26 -4.92 115.26 111.77 2fs9 n ASN 223 Ca 0.17 -0.22 -0.15 0.00 0.87 0.00 0.00 54.58 55.24 2fs9 n ASN 223 Cb 0.32 -4.69 0.01 0.00 -1.02 0.00 0.00 39.78 34.40 2fs9 n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2fs9 n ARG 224 N -3.76 0.89 -1.56 3.52 5.12 -1.01 -3.84 116.66 116.02 2fs9 n ARG 224 Ca -0.13 -2.68 -0.34 0.00 -1.93 0.00 0.00 57.85 52.76 2fs9 n ARG 224 Cb 0.63 -1.38 0.08 0.00 -1.16 0.00 0.00 32.46 30.62 2fs9 n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2fs9 s PRO 225 N -0.91 2.36 0.48 5.56 0.04 -1.26 -4.30 135.00 136.96 2fs9 s PRO 225 Ca 0.33 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 2fs9 s PRO 225 Cb 0.27 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.88 2fs9 s PRO 225 CO -0.11 -1.65 1.33 0.20 0.04 0.00 0.00 177.00 176.82 2fs9 s GLY 226 N -2.10 2.89 -0.07 0.56 0.00 -0.85 -4.79 107.32 102.95 2fs9 s GLY 226 Ca 0.73 1.28 0.02 0.00 0.00 0.00 0.00 44.72 46.76 2fs9 s GLY 226 CO 0.43 1.83 -0.13 -0.42 0.00 0.00 0.00 173.10 174.81 2fs9 s ILE 227 N -1.31 3.15 0.09 0.90 -1.09 -0.07 -1.70 121.20 121.18 2fs9 s ILE 227 Ca 0.65 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 58.46 2fs9 s ILE 227 Cb -0.39 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 2fs9 s ILE 227 CO 0.48 0.58 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.27 2fs9 s TYR 228 N -0.48 1.58 0.11 3.97 1.51 0.23 -2.03 117.35 122.24 2fs9 s TYR 228 Ca 0.06 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.38 2fs9 s TYR 228 Cb -0.12 -0.87 -0.07 0.00 -0.11 0.00 0.00 41.96 40.80 2fs9 s TYR 228 CO 0.02 0.16 1.27 0.99 -1.11 0.00 0.00 175.55 176.87 2fs9 s THR 229 N -1.27 3.65 -0.43 -0.71 2.01 0.33 0.12 115.64 119.34 2fs9 s THR 229 Ca 0.04 1.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 2fs9 s THR 229 Cb -0.10 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.65 2fs9 s THR 229 CO 0.04 0.12 1.13 -0.60 -0.69 0.00 0.00 174.62 174.61 2fs9 s ARG 230 N 0.72 3.82 0.19 4.92 3.52 -0.37 -1.36 118.95 130.39 2fs9 s ARG 230 Ca 0.59 0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 56.79 2fs9 s ARG 230 Cb -0.33 -3.86 0.13 0.00 -1.56 0.00 0.00 34.95 29.33 2fs9 s ARG 230 CO 0.32 -1.25 1.84 0.28 -0.81 0.00 0.00 175.30 175.68 2fs9 h VAL 231 N 6.09 1.09 -0.45 7.11 2.07 -1.68 -2.60 116.25 127.89 2fs9 h VAL 231 Ca -0.22 -0.26 0.13 0.00 0.82 0.00 0.00 66.70 67.17 2fs9 h VAL 231 Cb 1.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2fs9 h VAL 231 CO 1.10 0.14 0.35 0.71 0.02 0.00 0.00 177.57 179.89 2fs9 h THR 232 N 0.76 0.66 -0.01 2.57 1.35 -1.87 -0.18 112.91 116.19 2fs9 h THR 232 Ca 0.24 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.03 2fs9 h THR 232 Cb -0.01 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2fs9 h THR 232 CO -0.09 0.00 -0.33 0.22 -0.25 0.00 0.00 175.52 175.07 2fs9 h TYR 233 N 0.00 0.01 -0.26 4.73 5.03 -1.83 -3.18 116.97 121.48 2fs9 h TYR 233 Ca 0.21 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 2fs9 h TYR 233 Cb 0.92 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.16 2fs9 h TYR 233 CO 0.00 0.34 -0.03 0.66 -1.32 0.00 0.00 178.16 177.81 2fs9 n TYR 234 N -4.14 0.87 -0.09 -3.82 4.01 -0.10 -4.73 117.16 109.17 2fs9 n TYR 234 Ca -0.02 -1.17 -0.09 0.00 -0.16 0.00 0.00 57.90 56.45 2fs9 n TYR 234 Cb 0.38 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 2fs9 n TYR 234 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2fs9 h LEU 235 N 1.27 0.37 -0.90 7.72 5.85 -1.48 -1.87 115.31 126.26 2fs9 h LEU 235 Ca 0.09 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2fs9 h LEU 235 Cb 1.47 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2fs9 h LEU 235 CO 0.26 0.31 0.58 0.44 -0.34 0.00 0.00 178.44 179.69 2fs9 h ASP 236 N 0.41 1.05 -0.28 1.25 3.32 -1.86 -0.86 116.42 119.44 2fs9 h ASP 236 Ca 0.11 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2fs9 h ASP 236 Cb 0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2fs9 h ASP 236 CO -0.02 0.78 0.15 -0.25 -1.72 0.00 0.00 179.24 178.17 2fs9 h TRP 237 N 1.23 0.40 0.18 4.55 7.01 -1.85 -2.30 115.95 125.16 2fs9 h TRP 237 Ca 0.33 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 2fs9 h TRP 237 Cb -0.11 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 2fs9 h TRP 237 CO -0.00 0.35 -0.14 0.82 -2.79 0.00 0.00 178.44 176.67 2fs9 h ILE 238 N 0.34 0.69 0.00 2.65 2.04 -0.89 -1.61 117.51 120.73 2fs9 h ILE 238 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2fs9 h ILE 238 Cb 0.09 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2fs9 h ILE 238 CO -0.01 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.55 2fs9 n HIS 239 N -5.26 0.00 0.49 1.37 8.25 -0.37 0.03 115.22 119.73 2fs9 n HIS 239 Ca -0.08 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.51 2fs9 n HIS 239 Cb 0.18 -0.19 0.34 0.00 1.12 0.00 0.00 29.99 31.44 2fs9 n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fs9 h HIS 240 N 0.00 0.00 0.00 4.41 6.17 -0.71 -3.38 115.15 121.65 2fs9 h HIS 240 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2fs9 h HIS 240 Cb 0.03 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.96 2fs9 h HIS 240 CO 0.00 0.00 -0.75 0.66 0.71 0.00 0.00 177.93 178.55 2fs9 n TYR 241 N -2.53 0.00 -3.68 5.26 4.01 0.10 -5.04 117.16 115.28 2fs9 n TYR 241 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 2fs9 n TYR 241 Cb 0.45 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.40 2fs9 n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fs9 s VAL 242 N -1.75 5.38 0.00 -0.72 1.01 0.37 -5.09 120.40 119.61 2fs9 s VAL 242 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2fs9 s VAL 242 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2fs9 s VAL 242 CO 0.00 0.40 0.00 -2.65 0.00 0.00 0.00 175.10 172.85 2fs9 n PRO 243 N 3.80 0.36 0.00 2.72 -0.02 -1.26 -4.32 135.00 136.28 2fs9 n PRO 243 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2fs9 n PRO 243 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2fs9 n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11