#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 5.36 0.00 1.39 1.01 0.13 -4.10 120.40 124.19 2fs9 s VAL 17 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2fs9 s VAL 17 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2fs9 s VAL 17 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2fs9 n GLY 18 N 3.95 -1.35 7.00 4.51 0.00 -1.24 -2.34 105.19 115.72 2fs9 n GLY 18 Ca -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 0.62 1.71 -0.02 0.00 -1.26 -4.86 105.19 101.38 2fs9 n GLY 19 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 2fs9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs9 n GLN 20 N -0.19 0.44 -2.02 1.61 10.64 -0.48 -4.95 117.38 122.43 2fs9 n GLN 20 Ca 0.00 -1.20 -0.42 0.00 -1.83 0.00 0.00 57.00 53.55 2fs9 n GLN 20 Cb 0.00 1.31 -0.03 0.00 -0.86 0.00 0.00 30.24 30.66 2fs9 n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2fs9 s GLU 21 N -2.21 4.25 0.31 2.61 2.12 -1.26 -0.37 118.70 124.14 2fs9 s GLU 21 Ca 0.11 2.27 -0.24 0.00 0.36 0.00 0.00 54.97 57.47 2fs9 s GLU 21 Cb -0.01 -3.18 -0.10 0.00 0.26 0.00 0.00 34.13 31.10 2fs9 s GLU 21 CO 0.08 -0.53 0.89 0.00 -0.54 0.00 0.00 175.26 175.15 2fs9 s ALA 22 N 1.01 3.25 0.63 6.30 0.00 -0.10 -4.82 121.76 128.02 2fs9 s ALA 22 Ca 0.67 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 2fs9 s ALA 22 Cb -0.41 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2fs9 s ALA 22 CO 0.32 0.21 1.26 -2.14 0.00 0.00 0.00 175.76 175.41 2fs9 s PRO 23 N -2.16 2.69 0.08 0.00 0.02 -1.26 -4.87 135.00 129.50 2fs9 s PRO 23 Ca 0.50 1.96 0.14 0.00 0.02 0.00 0.00 61.00 63.62 2fs9 s PRO 23 Cb -0.17 -1.88 0.62 0.00 0.02 0.00 0.00 34.50 33.09 2fs9 s PRO 23 CO 0.22 -1.46 1.44 2.89 -0.33 0.00 0.00 177.00 179.75 2fs9 n ARG 24 N -1.83 0.05 0.00 5.54 1.85 -1.26 -2.12 116.66 118.90 2fs9 n ARG 24 Ca 0.15 0.37 0.13 0.00 -1.00 0.00 0.00 57.85 57.50 2fs9 n ARG 24 Cb 0.49 -1.62 0.45 0.00 -1.05 0.00 0.00 32.46 30.73 2fs9 n ARG 24 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2fs9 n SER 25 N -1.72 0.53 -4.95 2.89 3.41 -1.26 -4.91 113.62 107.60 2fs9 n SER 25 Ca 0.02 -0.39 -0.24 0.00 -0.26 0.00 0.00 58.87 58.00 2fs9 n SER 25 Cb 0.14 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.71 3.43 -1.23 4.33 3.01 -0.90 -4.65 119.74 121.02 2fs9 s LYS 26 Ca 0.20 -0.67 -0.11 0.00 -1.01 0.00 0.00 55.97 54.38 2fs9 s LYS 26 Cb 0.19 -2.93 -0.01 0.00 -1.01 0.00 0.00 37.83 34.07 2fs9 s LYS 26 CO 0.56 0.48 0.70 0.91 0.51 0.00 0.00 175.35 178.51 2fs9 n TRP 27 N -0.89 -1.88 0.40 3.18 5.03 -1.26 -4.85 117.44 117.18 2fs9 n TRP 27 Ca -0.08 0.61 0.04 0.00 3.03 0.00 0.00 57.50 61.11 2fs9 n TRP 27 Cb 0.55 -3.72 0.22 0.00 -1.03 0.00 0.00 31.31 27.33 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 -4.20 0.09 0.00 -0.99 -0.04 -1.26 -2.14 135.00 126.46 2fs9 n PRO 28 Ca -0.18 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2fs9 n PRO 28 Cb 0.63 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.35 0.00 -2.04 0.54 2.14 -1.21 -2.46 117.44 113.06 2fs9 n TRP 29 Ca 0.04 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.20 2fs9 n TRP 29 Cb 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.56 2fs9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fs9 s GLN 30 N -2.38 4.29 0.12 -2.67 2.00 -0.91 -0.95 119.66 119.17 2fs9 s GLN 30 Ca 0.17 2.29 -0.00 0.00 -2.00 0.00 0.00 55.36 55.81 2fs9 s GLN 30 Cb 0.17 -3.07 -0.04 0.00 0.80 0.00 0.00 33.01 30.87 2fs9 s GLN 30 CO 0.55 -0.31 0.02 0.14 -0.50 0.00 0.00 175.29 175.19 2fs9 s VAL 31 N -0.79 0.29 -0.04 1.34 -7.23 -0.82 -2.33 120.40 110.82 2fs9 s VAL 31 Ca 0.53 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 2fs9 s VAL 31 Cb -0.41 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2fs9 s VAL 31 CO 0.51 -0.63 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.94 2fs9 s SER 32 N -3.04 2.38 -0.10 4.85 0.15 -0.04 -2.41 113.70 115.48 2fs9 s SER 32 Ca 0.19 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.35 2fs9 s SER 32 Cb 0.07 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.70 2fs9 s SER 32 CO -0.01 0.18 0.22 -0.76 1.20 0.00 0.00 173.24 174.07 2fs9 s LEU 33 N -0.04 4.37 -0.02 3.45 1.43 -0.21 -0.55 118.68 127.12 2fs9 s LEU 33 Ca -0.03 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2fs9 s LEU 33 Cb -0.12 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2fs9 s LEU 33 CO 0.02 0.33 -0.20 -0.13 0.23 0.00 0.00 176.35 176.60 2fs9 s ARG 34 N -0.72 1.69 -0.10 1.70 1.81 0.11 -2.19 118.95 121.25 2fs9 s ARG 34 Ca 0.17 -0.73 0.01 0.00 -1.72 0.00 0.00 55.73 53.45 2fs9 s ARG 34 Cb -0.13 -1.62 -0.02 0.00 -0.45 0.00 0.00 34.95 32.73 2fs9 s ARG 34 CO 0.06 0.43 -0.11 0.54 -0.68 0.00 0.00 175.30 175.53 2fs9 s VAL 35 N -0.44 3.27 0.29 3.52 0.11 -0.62 -0.83 120.40 125.70 2fs9 s VAL 35 Ca 0.07 -0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 2fs9 s VAL 35 Cb -0.08 -2.35 -0.12 0.00 -1.53 0.00 0.00 36.38 32.29 2fs9 s VAL 35 CO -0.00 0.55 1.47 1.57 -3.33 0.00 0.00 175.10 175.36 2fs9 n HIS 36 N 2.99 2.54 -1.86 1.54 -0.00 0.33 -3.05 115.22 117.71 2fs9 n HIS 36 Ca -0.18 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2fs9 n HIS 36 Cb 0.53 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 2fs9 n HIS 36 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2fs9 n GLY 37 N 1.75 1.89 0.33 1.57 0.00 -1.26 -4.95 105.19 104.52 2fs9 n GLY 37 Ca 0.08 -0.43 0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.48 1.61 0.11 -2.04 -3.42 132.00 125.78 2fs9 h PRO 37 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 2fs9 h PRO 37 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 30.97 2fs9 h PRO 37 CO 0.00 0.00 0.42 1.52 -0.21 0.00 0.00 178.00 179.73 2fs9 s TYR 37 N -4.08 -0.38 -0.98 0.65 1.13 -1.26 -5.08 117.35 107.34 2fs9 s TYR 37 Ca -0.04 0.22 -0.24 0.00 -1.41 0.00 0.00 57.07 55.60 2fs9 s TYR 37 Cb 0.11 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.49 2fs9 s TYR 37 CO 0.33 -0.65 1.82 -1.58 -2.51 0.00 0.00 175.55 172.97 2fs9 s TRP 38 N -3.30 2.04 0.20 -3.49 0.52 -1.26 -4.75 118.94 108.90 2fs9 s TRP 38 Ca 0.04 0.16 -0.29 0.00 0.02 0.00 0.00 56.10 56.04 2fs9 s TRP 38 Cb -0.01 -4.22 -0.08 0.00 -1.15 0.00 0.00 33.47 28.00 2fs9 s TRP 38 CO -0.09 -1.72 0.91 1.41 0.02 0.00 0.00 176.95 177.48 2fs9 s MET 39 N 6.34 4.78 -0.03 4.98 1.75 -1.17 -4.74 119.30 131.20 2fs9 s MET 39 Ca 0.64 1.42 -0.30 0.00 -1.25 0.00 0.00 55.69 56.19 2fs9 s MET 39 Cb -0.04 -3.29 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 2fs9 s MET 39 CO -0.01 0.48 1.21 -1.58 -0.65 0.00 0.00 175.02 174.47 2fs9 s HIS 40 N -0.98 3.21 -0.00 4.11 2.46 -1.26 -1.59 115.29 121.24 2fs9 s HIS 40 Ca 0.41 1.20 0.01 0.00 0.47 0.00 0.00 55.06 57.15 2fs9 s HIS 40 Cb -0.25 -3.43 -0.01 0.00 -0.13 0.00 0.00 32.58 28.75 2fs9 s HIS 40 CO 0.30 -1.37 0.02 1.97 -2.47 0.00 0.00 174.74 173.19 2fs9 n PHE 41 N 5.00 0.00 -3.63 3.88 -1.74 -0.93 -4.99 117.46 115.06 2fs9 n PHE 41 Ca 0.11 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.90 2fs9 n PHE 41 Cb 0.46 -0.02 -0.03 0.00 1.52 0.00 0.00 39.48 41.42 2fs9 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fs9 n GLY 43 N -0.37 1.34 3.94 0.00 0.00 0.28 -1.04 105.19 109.34 2fs9 n GLY 43 Ca -0.12 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.82 2fs9 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fs9 s GLY 44 N -3.99 -0.19 -0.01 -0.02 0.00 -1.01 -3.67 107.32 98.43 2fs9 s GLY 44 Ca 0.43 0.16 -0.06 0.00 0.00 0.00 0.00 44.72 45.25 2fs9 s GLY 44 CO 0.28 5.06 0.12 -1.35 0.00 0.00 0.00 173.10 177.20 2fs9 s SER 45 N -3.72 0.00 -0.36 1.64 1.04 -0.08 -1.95 113.70 110.28 2fs9 s SER 45 Ca 0.28 -0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 2fs9 s SER 45 Cb 0.01 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.35 2fs9 s SER 45 CO -0.02 -0.27 0.81 -0.22 0.98 0.00 0.00 173.24 174.52 2fs9 s LEU 46 N -0.97 4.11 0.00 2.42 2.96 -0.12 -0.61 118.68 126.46 2fs9 s LEU 46 Ca -0.11 0.41 0.14 0.00 -0.22 0.00 0.00 54.13 54.35 2fs9 s LEU 46 Cb -0.06 -3.07 0.01 0.00 0.50 0.00 0.00 46.19 43.57 2fs9 s LEU 46 CO 0.01 -0.75 0.78 2.30 -1.32 0.00 0.00 176.35 177.37 2fs9 n ILE 47 N 5.80 0.00 -3.62 6.68 -5.35 -0.95 -0.47 119.36 121.45 2fs9 n ILE 47 Ca 0.04 -0.37 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 2fs9 n ILE 47 Cb 0.48 1.17 -0.06 0.00 -1.74 0.00 0.00 39.64 39.49 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 -1.63 -0.44 0.62 4.28 5.04 -1.17 -4.72 115.29 117.27 2fs9 s HIS 48 Ca 0.12 1.00 0.20 0.00 -1.54 0.00 0.00 55.06 54.83 2fs9 s HIS 48 Cb 0.11 0.39 0.75 0.00 0.04 0.00 0.00 32.58 33.87 2fs9 s HIS 48 CO 0.33 -0.26 1.30 -1.35 -2.34 0.00 0.00 174.74 172.42 2fs9 h PRO 49 N 3.73 0.00 0.00 2.88 0.11 -1.93 0.18 132.00 136.96 2fs9 h PRO 49 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2fs9 h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2fs9 h PRO 49 CO 0.17 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.90 2fs9 n GLN 50 N -3.07 -0.13 -4.52 1.05 7.27 -1.26 -0.36 117.38 116.35 2fs9 n GLN 50 Ca 0.14 -0.65 -0.21 0.00 0.07 0.00 0.00 57.00 56.36 2fs9 n GLN 50 Cb 1.25 -0.95 -0.14 0.00 2.41 0.00 0.00 30.24 32.81 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 -0.19 1.19 -0.10 3.69 0.52 0.62 -0.34 118.94 124.32 2fs9 s TRP 51 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 56.10 55.89 2fs9 s TRP 51 Cb 0.00 -0.75 -0.00 0.00 -1.15 0.00 0.00 33.47 31.57 2fs9 s TRP 51 CO 0.00 -0.00 -0.22 0.08 0.02 0.00 0.00 176.95 176.82 2fs9 s VAL 52 N -0.47 2.21 -0.13 4.03 1.01 0.44 -2.24 120.40 125.24 2fs9 s VAL 52 Ca 0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2fs9 s VAL 52 Cb -0.06 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2fs9 s VAL 52 CO 0.00 0.56 0.18 -0.22 0.00 0.00 0.00 175.10 175.62 2fs9 s LEU 53 N 0.30 4.33 0.00 3.92 2.96 0.22 -0.38 118.68 130.04 2fs9 s LEU 53 Ca -0.17 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 2fs9 s LEU 53 Cb -0.17 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.36 2fs9 s LEU 53 CO 0.08 0.30 0.22 1.07 -1.32 0.00 0.00 176.35 176.71 2fs9 n THR 54 N 2.57 0.00 -3.20 3.68 5.66 -0.43 -0.90 114.28 121.67 2fs9 n THR 54 Ca -0.17 -0.49 -0.38 0.00 -3.05 0.00 0.00 64.05 59.96 2fs9 n THR 54 Cb 0.54 0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.68 3.54 0.36 1.79 0.00 -1.26 -0.29 121.76 124.21 2fs9 s ALA 55 Ca 0.08 0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.23 2fs9 s ALA 55 Cb -0.01 -2.71 0.69 0.00 0.00 0.00 0.00 23.12 21.08 2fs9 s ALA 55 CO 0.06 0.37 1.85 0.00 0.00 0.00 0.00 175.76 178.04 2fs9 h ALA 56 N 4.24 1.39 0.00 0.00 0.00 -1.67 -2.23 119.26 120.98 2fs9 h ALA 56 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2fs9 h ALA 56 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2fs9 h ALA 56 CO 0.64 0.43 0.00 -2.39 0.00 0.00 0.00 179.25 177.93 2fs9 n HIS 57 N -4.19 0.16 0.09 0.00 1.44 -1.26 -0.06 115.22 111.39 2fs9 n HIS 57 Ca -0.01 0.06 -0.04 0.00 -2.01 0.00 0.00 57.72 55.71 2fs9 n HIS 57 Cb 0.34 -0.60 0.01 0.00 0.12 0.00 0.00 29.99 29.86 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 -3.56 0.00 -2.76 0.00 0.24 -0.84 -5.02 118.33 106.39 2fs9 n VAL 59 Ca -0.01 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2fs9 n VAL 59 Cb 0.79 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 34.24 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 0.03 4.50 0.18 7.63 0.00 0.91 -4.51 105.19 113.93 2fs9 n GLY 60 Ca 0.00 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -6.91 1.61 0.13 -1.80 -3.41 132.00 121.62 2fs9 h PRO 60 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2fs9 h PRO 60 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2fs9 h PRO 60 CO 0.00 0.00 0.34 -0.51 -0.23 0.00 0.00 178.00 177.60 2fs9 s ASP 60 N -4.69 7.25 0.24 1.44 1.01 -1.26 -5.00 116.67 115.66 2fs9 s ASP 60 Ca 0.03 1.79 -0.30 0.00 0.71 0.00 0.00 52.55 54.77 2fs9 s ASP 60 Cb 0.09 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 2fs9 s ASP 60 CO 0.43 -0.12 1.47 -0.69 0.21 0.00 0.00 175.17 176.47 2fs9 s VAL 60 N -1.73 2.58 0.27 -1.27 1.01 -1.26 -5.01 120.40 114.99 2fs9 s VAL 60 Ca 0.52 0.48 0.08 0.00 0.00 0.00 0.00 61.98 63.06 2fs9 s VAL 60 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2fs9 s VAL 60 CO 0.21 0.07 0.14 -0.54 0.00 0.00 0.00 175.10 174.99 2fs9 s LYS 60 N -0.22 2.69 -0.42 2.72 -0.14 -1.26 -5.07 119.74 118.03 2fs9 s LYS 60 Ca 0.61 -1.21 -0.23 0.00 -1.36 0.00 0.00 55.97 53.78 2fs9 s LYS 60 Cb -0.43 -2.41 0.02 0.00 -1.68 0.00 0.00 37.83 33.33 2fs9 s LYS 60 CO 0.43 0.35 0.78 0.34 -0.76 0.00 0.00 175.35 176.48 2fs9 s ASP 60 N -3.80 6.45 0.49 2.83 3.68 -1.26 -4.92 116.67 120.14 2fs9 s ASP 60 Ca 0.33 0.03 0.21 0.00 2.13 0.00 0.00 52.55 55.25 2fs9 s ASP 60 Cb -0.07 -2.39 1.24 0.00 -1.45 0.00 0.00 42.92 40.26 2fs9 s ASP 60 CO 0.23 -0.85 1.97 -0.07 0.13 0.00 0.00 175.17 176.58 2fs9 h LEU 61 N 10.00 0.17 -1.83 -1.34 4.07 -1.94 -1.31 115.31 123.12 2fs9 h LEU 61 Ca -0.25 0.01 0.09 0.00 0.08 0.00 0.00 57.88 57.81 2fs9 h LEU 61 Cb 1.09 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 2fs9 h LEU 61 CO 0.94 0.09 0.31 0.00 -1.08 0.00 0.00 178.44 178.70 2fs9 h ALA 62 N 1.70 2.17 -0.11 1.53 0.00 -1.91 0.15 119.26 122.79 2fs9 h ALA 62 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2fs9 h ALA 62 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2fs9 h ALA 62 CO -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2fs9 n ALA 63 N -2.56 2.51 -2.57 0.00 0.00 -0.49 -4.84 120.51 112.56 2fs9 n ALA 63 Ca 0.07 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 2fs9 n ALA 63 Cb 0.38 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.19 2.01 0.06 0.00 2.96 0.04 -0.51 118.68 122.05 2fs9 s LEU 64 Ca 0.16 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2fs9 s LEU 64 Cb 0.08 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 2fs9 s LEU 64 CO 0.12 0.22 0.09 -0.13 -1.32 0.00 0.00 176.35 175.32 2fs9 s ARG 65 N -0.33 0.71 -0.02 1.98 1.81 -0.01 -4.19 118.95 118.90 2fs9 s ARG 65 Ca 0.04 -1.01 0.05 0.00 -1.72 0.00 0.00 55.73 53.10 2fs9 s ARG 65 Cb -0.08 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.66 2fs9 s ARG 65 CO 0.00 -0.19 -0.16 0.08 -0.68 0.00 0.00 175.30 174.36 2fs9 s VAL 66 N -3.61 2.94 -0.16 3.52 1.01 -0.25 0.04 120.40 123.89 2fs9 s VAL 66 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2fs9 s VAL 66 Cb 0.05 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2fs9 s VAL 66 CO -0.09 0.50 -0.18 -1.58 0.00 0.00 0.00 175.10 173.75 2fs9 s GLN 67 N -0.97 2.77 1.09 2.72 2.00 0.29 -0.19 119.66 127.37 2fs9 s GLN 67 Ca 0.13 -0.75 -0.17 0.00 -2.00 0.00 0.00 55.36 52.57 2fs9 s GLN 67 Cb -0.11 -2.39 0.24 0.00 0.80 0.00 0.00 33.01 31.56 2fs9 s GLN 67 CO 0.02 -0.18 1.19 -0.51 -0.50 0.00 0.00 175.29 175.31 2fs9 s LEU 68 N 1.27 1.55 -0.07 3.68 1.43 -1.26 -0.86 118.68 124.41 2fs9 s LEU 68 Ca 0.03 0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 53.38 2fs9 s LEU 68 Cb -0.13 -2.42 -0.13 0.00 0.03 0.00 0.00 46.19 43.53 2fs9 s LEU 68 CO -0.10 -3.48 0.79 -1.14 0.23 0.00 0.00 176.35 172.65 2fs9 n ARG 69 N -4.31 0.00 -3.84 1.70 0.00 -0.98 -4.74 116.66 104.48 2fs9 n ARG 69 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 2fs9 n ARG 69 Cb 0.59 -1.00 -0.14 0.00 0.00 0.00 0.00 32.46 31.91 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 0.45 0.05 0.14 -0.14 2.12 -1.26 -5.04 118.70 115.03 2fs9 s GLU 70 Ca 0.63 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 56.05 2fs9 s GLU 70 Cb -0.88 -0.01 -0.06 0.00 0.26 0.00 0.00 34.13 33.43 2fs9 s GLU 70 CO 0.42 -0.04 1.33 0.37 -0.54 0.00 0.00 175.26 176.80 2fs9 h GLN 71 N 6.28 0.31 -3.65 4.30 5.75 -1.94 -3.42 115.11 122.74 2fs9 h GLN 71 Ca -0.28 -0.34 -0.40 0.00 -0.15 0.00 0.00 58.65 57.48 2fs9 h GLN 71 Cb 1.19 0.10 -0.37 0.00 1.07 0.00 0.00 27.48 29.47 2fs9 h GLN 71 CO 0.47 1.04 -0.76 -1.01 -2.65 0.00 0.00 178.83 175.93 2fs9 s HIS 72 N -3.22 0.46 0.32 3.99 3.76 -1.26 -2.06 115.29 117.27 2fs9 s HIS 72 Ca -0.04 -0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 2fs9 s HIS 72 Cb 0.09 -0.62 -0.13 0.00 1.11 0.00 0.00 32.58 33.03 2fs9 s HIS 72 CO 0.85 -0.24 1.21 1.28 -0.85 0.00 0.00 174.74 177.00 2fs9 n LEU 73 N 4.82 2.99 0.00 0.89 4.77 -0.77 -2.80 117.00 126.91 2fs9 n LEU 73 Ca -0.13 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 2fs9 n LEU 73 Cb 0.50 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 2fs9 n LEU 73 CO 0.14 -0.76 0.00 -1.22 -1.33 0.00 0.00 177.39 174.22 2fs9 n TYR 74 N 0.41 0.00 0.08 -1.77 4.01 -1.26 -4.82 117.16 113.81 2fs9 n TYR 74 Ca 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 2fs9 n TYR 74 Cb 0.34 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2fs9 n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2fs9 h TYR 75 N 0.00 0.38 -0.84 -0.72 0.05 -1.88 -3.35 116.97 110.61 2fs9 h TYR 75 Ca 0.00 -0.19 -0.41 0.00 0.05 0.00 0.00 58.73 58.18 2fs9 h TYR 75 Cb 0.00 -0.05 -0.41 0.00 1.01 0.00 0.00 36.73 37.28 2fs9 h TYR 75 CO 0.00 0.96 -0.99 1.04 -1.05 0.00 0.00 178.16 178.12 2fs9 n GLN 79 N -3.74 2.39 -1.82 4.88 1.13 -1.26 -5.11 117.38 113.86 2fs9 n GLN 79 Ca -0.04 -3.80 -0.41 0.00 -1.94 0.00 0.00 57.00 50.81 2fs9 n GLN 79 Cb 0.76 -1.82 -0.00 0.00 0.11 0.00 0.00 30.24 29.29 2fs9 n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2fs9 s ASP 80 N -3.55 6.36 -0.42 1.08 1.11 -1.26 -4.97 116.67 115.02 2fs9 s ASP 80 Ca 0.37 3.03 0.08 0.00 0.18 0.00 0.00 52.55 56.22 2fs9 s ASP 80 Cb 0.39 -2.67 0.27 0.00 1.07 0.00 0.00 42.92 41.99 2fs9 s ASP 80 CO -0.03 -0.86 0.71 0.00 1.18 0.00 0.00 175.17 176.17 2fs9 n GLN 81 N 0.50 0.81 -1.66 8.23 6.02 -1.26 -5.13 117.38 124.88 2fs9 n GLN 81 Ca 0.01 -2.76 -0.45 0.00 -0.01 0.00 0.00 57.00 53.79 2fs9 n GLN 81 Cb 0.39 -1.35 -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 1.15 2.96 -4.36 1.08 4.77 -1.26 -4.74 117.00 116.60 2fs9 n LEU 82 Ca 0.17 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.95 2fs9 n LEU 82 Cb 0.60 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.14 2fs9 n LEU 82 CO 0.14 -0.53 -0.40 -0.76 -1.33 0.00 0.00 177.39 174.50 2fs9 s LEU 83 N 0.26 2.88 0.76 2.23 1.43 0.73 -4.91 118.68 122.06 2fs9 s LEU 83 Ca 0.70 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 2fs9 s LEU 83 Cb -0.68 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 43.90 2fs9 s LEU 83 CO 0.48 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 176.08 2fs9 s PRO 84 N 0.84 2.32 -0.04 1.29 0.04 -1.26 -1.09 135.00 137.10 2fs9 s PRO 84 Ca -0.02 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.27 2fs9 s PRO 84 Cb -0.15 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2fs9 s PRO 84 CO 0.01 -1.60 -0.18 0.08 0.04 0.00 0.00 177.00 175.35 2fs9 s VAL 85 N -2.83 2.77 -0.19 -0.36 1.01 -1.26 -2.38 120.40 117.17 2fs9 s VAL 85 Ca 0.62 -0.83 0.17 0.00 0.00 0.00 0.00 61.98 61.93 2fs9 s VAL 85 Cb -0.18 -2.06 -0.24 0.00 0.00 0.00 0.00 36.38 33.91 2fs9 s VAL 85 CO 0.54 0.59 0.06 -1.54 0.00 0.00 0.00 175.10 174.75 2fs9 n SER 86 N 2.36 0.27 -3.90 3.32 3.41 -0.29 -4.85 113.62 113.94 2fs9 n SER 86 Ca -0.17 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.33 2fs9 n SER 86 Cb 0.52 0.94 -0.12 0.00 -0.26 0.00 0.00 64.21 65.29 2fs9 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2fs9 s ARG 87 N -2.47 0.20 -0.27 4.33 0.52 -1.19 -5.00 118.95 115.06 2fs9 s ARG 87 Ca -0.10 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 2fs9 s ARG 87 Cb 0.06 0.08 0.07 0.00 0.52 0.00 0.00 34.95 35.68 2fs9 s ARG 87 CO 0.79 -0.03 -0.04 0.42 0.02 0.00 0.00 175.30 176.45 2fs9 s ILE 88 N -0.70 1.87 -0.27 1.52 1.01 -1.26 -1.38 121.20 122.00 2fs9 s ILE 88 Ca -0.08 -1.62 -0.06 0.00 0.00 0.00 0.00 60.65 58.89 2fs9 s ILE 88 Cb -0.05 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 2fs9 s ILE 88 CO -0.00 -0.22 0.06 -0.63 0.00 0.00 0.00 174.94 174.15 2fs9 s ILE 89 N 1.20 3.94 -0.13 2.92 1.01 0.81 -4.97 121.20 125.98 2fs9 s ILE 89 Ca -0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 2fs9 s ILE 89 Cb -0.19 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2fs9 s ILE 89 CO -0.07 0.19 -0.06 -0.69 0.00 0.00 0.00 174.94 174.31 2fs9 s VAL 90 N 1.52 3.69 0.04 2.92 1.01 -1.26 0.66 120.40 128.97 2fs9 s VAL 90 Ca 0.04 -0.44 -0.35 0.00 0.00 0.00 0.00 61.98 61.23 2fs9 s VAL 90 Cb -0.16 -2.58 -0.14 0.00 0.00 0.00 0.00 36.38 33.50 2fs9 s VAL 90 CO 0.02 0.52 1.65 1.57 0.00 0.00 0.00 175.10 178.86 2fs9 n HIS 91 N 3.27 2.17 0.28 5.22 -0.00 -1.08 -4.83 115.22 120.24 2fs9 n HIS 91 Ca -0.18 0.26 0.19 0.00 0.46 0.00 0.00 57.72 58.45 2fs9 n HIS 91 Cb 0.53 -2.55 0.99 0.00 -0.12 0.00 0.00 29.99 28.85 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 6.87 0.00 -0.02 1.57 0.13 -1.93 -1.45 132.00 137.17 2fs9 h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2fs9 h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2fs9 h PRO 92 CO 0.90 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.71 2fs9 n GLN 93 N -2.80 1.36 -3.24 0.86 1.13 -1.26 -4.90 117.38 108.53 2fs9 n GLN 93 Ca -0.02 -0.53 -0.39 0.00 -1.94 0.00 0.00 57.00 54.12 2fs9 n GLN 93 Cb 0.07 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.89 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 -1.98 3.76 0.00 1.08 5.36 -0.55 -4.78 117.98 120.87 2fs9 s PHE 94 Ca 0.41 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 2fs9 s PHE 94 Cb 0.21 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 2fs9 s PHE 94 CO 0.33 0.49 0.00 0.98 -1.46 0.00 0.00 175.22 175.56 2fs9 n TYR 95 N 2.14 -0.08 -3.92 10.12 9.36 -1.26 -4.88 117.16 128.64 2fs9 n TYR 95 Ca -0.09 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.04 2fs9 n TYR 95 Cb 0.51 0.16 -0.09 0.00 -0.63 0.00 0.00 39.34 39.29 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 -1.32 0.14 0.18 2.97 -4.23 -1.26 -4.55 115.64 107.57 2fs9 s THR 96 Ca 0.00 -1.16 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 2fs9 s THR 96 Cb 0.00 -1.06 0.07 0.00 1.34 0.00 0.00 72.50 72.85 2fs9 s THR 96 CO 0.00 -0.64 1.65 0.00 -0.54 0.00 0.00 174.62 175.09 2fs9 h ALA 97 N 3.38 0.81 -0.59 3.99 0.00 -1.95 -2.35 119.26 122.54 2fs9 h ALA 97 Ca -0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2fs9 h ALA 97 Cb 1.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2fs9 h ALA 97 CO 0.53 0.60 0.32 1.96 0.00 0.00 0.00 179.25 182.66 2fs9 h GLN 98 N 0.93 0.82 -0.16 0.00 7.50 -1.97 -2.72 115.11 119.51 2fs9 h GLN 98 Ca 0.18 -0.08 -0.06 0.00 0.50 0.00 0.00 58.65 59.18 2fs9 h GLN 98 Cb 0.49 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.85 2fs9 h GLN 98 CO 0.02 0.60 -0.13 0.82 -1.50 0.00 0.00 178.83 178.64 2fs9 h ILE 99 N 0.82 1.33 0.00 2.54 2.04 -1.89 -3.47 117.51 118.89 2fs9 h ILE 99 Ca 0.21 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2fs9 h ILE 99 Cb 0.03 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2fs9 h ILE 99 CO -0.03 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.10 2fs9 n GLY 100 N 0.13 0.83 3.76 5.37 0.00 -0.91 -4.99 105.19 109.38 2fs9 n GLY 100 Ca -0.06 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.38 -2.41 4.61 0.00 -1.26 -4.45 120.51 114.62 2fs9 n ALA 101 Ca 0.00 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2fs9 n ALA 101 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 19.45 14.82 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 -2.93 4.79 -3.79 0.00 2.03 -1.26 -4.35 116.55 111.02 2fs9 n ASP 102 Ca -0.01 -2.96 -0.13 0.00 0.52 0.00 0.00 54.79 52.22 2fs9 n ASP 102 Cb 0.56 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 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 2.48 0.05 0.20 5.18 2.07 -1.26 -3.88 121.20 126.03 2fs9 s ILE 103 Ca 0.46 -0.42 -0.18 0.00 -1.41 0.00 0.00 60.65 59.10 2fs9 s ILE 103 Cb 0.06 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 42.17 2fs9 s ILE 103 CO 0.00 -0.23 0.54 0.00 -1.91 0.00 0.00 174.94 173.35 2fs9 s ALA 104 N -0.99 -1.04 0.04 1.50 0.00 0.60 -2.64 121.76 119.23 2fs9 s ALA 104 Ca -0.11 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.78 2fs9 s ALA 104 Cb -0.05 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2fs9 s ALA 104 CO 0.03 -0.81 -0.18 -0.51 0.00 0.00 0.00 175.76 174.29 2fs9 s LEU 105 N -2.86 2.17 -0.13 0.00 1.43 0.21 -1.31 118.68 118.19 2fs9 s LEU 105 Ca 0.08 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2fs9 s LEU 105 Cb -0.01 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.42 2fs9 s LEU 105 CO -0.04 0.10 -0.15 -0.76 0.23 0.00 0.00 176.35 175.74 2fs9 s LEU 106 N -1.17 1.73 -0.30 1.79 1.43 0.49 -0.14 118.68 122.51 2fs9 s LEU 106 Ca 0.05 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 2fs9 s LEU 106 Cb -0.08 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2fs9 s LEU 106 CO 0.02 -0.02 0.25 -0.70 0.23 0.00 0.00 176.35 176.13 2fs9 s GLU 107 N 1.24 3.79 0.77 1.70 2.12 -0.48 -0.42 118.70 127.43 2fs9 s GLU 107 Ca -0.00 -0.37 -0.12 0.00 0.36 0.00 0.00 54.97 54.84 2fs9 s GLU 107 Cb -0.14 -3.72 0.06 0.00 0.26 0.00 0.00 34.13 30.60 2fs9 s GLU 107 CO -0.07 -0.31 1.11 -0.51 -0.54 0.00 0.00 175.26 174.95 2fs9 s LEU 108 N 1.83 3.09 0.49 2.70 1.43 0.53 -1.14 118.68 127.61 2fs9 s LEU 108 Ca 0.08 1.97 0.28 0.00 -1.03 0.00 0.00 54.13 55.44 2fs9 s LEU 108 Cb -0.16 -4.54 0.85 0.00 0.03 0.00 0.00 46.19 42.36 2fs9 s LEU 108 CO 0.11 -2.17 1.79 -0.08 0.23 0.00 0.00 176.35 176.24 2fs9 h GLU 109 N -0.96 0.00 -3.59 1.70 4.81 -1.80 -3.41 114.58 111.34 2fs9 h GLU 109 Ca -0.44 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.69 2fs9 h GLU 109 Cb 1.25 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.46 2fs9 h GLU 109 CO 0.50 0.00 -0.36 -1.21 -0.73 0.00 0.00 179.01 177.21 2fs9 s GLU 110 N -3.43 0.76 0.60 1.92 0.41 -1.26 -5.01 118.70 112.68 2fs9 s GLU 110 Ca 0.04 -0.70 -0.16 0.00 -0.41 0.00 0.00 54.97 53.74 2fs9 s GLU 110 Cb 0.07 0.31 -0.03 0.00 -1.78 0.00 0.00 34.13 32.70 2fs9 s GLU 110 CO 0.60 -0.23 1.06 -1.25 -0.49 0.00 0.00 175.26 174.95 2fs9 s PRO 111 N -2.94 3.29 0.05 0.39 0.04 -1.26 -4.75 135.00 129.82 2fs9 s PRO 111 Ca -0.02 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 2fs9 s PRO 111 Cb 0.01 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2fs9 s PRO 111 CO -0.06 -0.83 0.25 0.14 0.04 0.00 0.00 177.00 176.53 2fs9 s VAL 112 N -2.47 5.34 -0.39 -0.36 -7.23 0.51 -4.97 120.40 110.82 2fs9 s VAL 112 Ca 0.63 -0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.35 2fs9 s VAL 112 Cb -0.16 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.20 2fs9 s VAL 112 CO 0.38 0.19 1.01 -0.54 -0.31 0.00 0.00 175.10 175.83 2fs9 s LYS 113 N -2.31 3.85 0.66 4.82 -0.14 -1.26 -4.84 119.74 120.51 2fs9 s LYS 113 Ca 0.34 0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 55.51 2fs9 s LYS 113 Cb -0.13 -3.82 -0.01 0.00 -1.68 0.00 0.00 37.83 32.19 2fs9 s LYS 113 CO 0.24 -1.05 1.05 0.14 -0.76 0.00 0.00 175.35 174.96 2fs9 s VAL 114 N 3.76 4.24 0.15 3.17 -7.23 -1.26 -4.94 120.40 118.30 2fs9 s VAL 114 Ca 0.42 0.73 -0.07 0.00 -1.81 0.00 0.00 61.98 61.25 2fs9 s VAL 114 Cb -0.11 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.21 2fs9 s VAL 114 CO 0.21 -0.95 0.37 -1.54 -0.31 0.00 0.00 175.10 172.88 2fs9 n SER 115 N -2.92 -0.95 0.25 4.85 3.41 0.31 -4.95 113.62 113.61 2fs9 n SER 115 Ca 0.07 -1.63 0.14 0.00 -0.26 0.00 0.00 58.87 57.19 2fs9 n SER 115 Cb 0.55 1.58 0.47 0.00 -0.26 0.00 0.00 64.21 66.54 2fs9 n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fs9 h SER 116 N 0.86 0.00 0.78 4.04 4.64 -2.01 -2.82 113.55 119.04 2fs9 h SER 116 Ca -0.14 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 2fs9 h SER 116 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2fs9 h SER 116 CO 0.18 0.04 -1.28 1.57 -0.87 0.00 0.00 176.83 176.47 2fs9 n HIS 117 N -3.13 0.89 -3.48 4.77 -0.00 -1.26 -4.81 115.22 108.21 2fs9 n HIS 117 Ca 0.02 0.28 -0.17 0.00 -0.00 0.00 0.00 57.72 57.85 2fs9 n HIS 117 Cb 0.41 -0.99 -0.12 0.00 -0.00 0.00 0.00 29.99 29.29 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 -3.17 -0.36 0.33 3.57 1.01 -1.07 -4.54 120.40 116.17 2fs9 s VAL 118 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2fs9 s VAL 118 Cb 0.09 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2fs9 s VAL 118 CO 0.81 -0.18 0.62 -1.38 0.00 0.00 0.00 175.10 174.97 2fs9 s HIS 119 N 2.36 0.40 0.56 5.22 -3.43 -1.03 0.11 115.29 119.48 2fs9 s HIS 119 Ca 0.08 -0.85 -0.17 0.00 -0.80 0.00 0.00 55.06 53.32 2fs9 s HIS 119 Cb -0.16 0.41 -0.06 0.00 -1.43 0.00 0.00 32.58 31.35 2fs9 s HIS 119 CO -0.12 -1.27 1.04 0.95 -2.00 0.00 0.00 174.74 173.33 2fs9 s THR 120 N -3.13 3.99 0.06 -5.38 -4.23 -1.26 -3.35 115.64 102.34 2fs9 s THR 120 Ca 0.21 0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 61.65 2fs9 s THR 120 Cb -0.03 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 2fs9 s THR 120 CO 0.13 -0.51 0.31 0.54 -0.54 0.00 0.00 174.62 174.55 2fs9 s VAL 121 N -2.42 5.25 0.07 2.29 0.11 0.38 -4.89 120.40 121.18 2fs9 s VAL 121 Ca 0.63 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.52 2fs9 s VAL 121 Cb -0.14 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 31.05 2fs9 s VAL 121 CO 0.33 0.23 0.81 -0.89 -3.33 0.00 0.00 175.10 172.25 2fs9 s THR 122 N -1.44 4.65 0.27 5.04 2.01 -1.24 -4.66 115.64 120.27 2fs9 s THR 122 Ca 0.33 1.74 -0.19 0.00 0.31 0.00 0.00 61.69 63.87 2fs9 s THR 122 Cb -0.13 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 2fs9 s THR 122 CO 0.20 0.37 0.77 -0.76 -0.69 0.00 0.00 174.62 174.51 2fs9 s LEU 123 N -0.14 4.25 0.48 4.42 1.43 -1.26 -1.55 118.68 126.31 2fs9 s LEU 123 Ca 0.40 1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 54.75 2fs9 s LEU 123 Cb -0.21 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 2fs9 s LEU 123 CO 0.25 -0.06 1.02 -2.16 0.23 0.00 0.00 176.35 175.63 2fs9 s PRO 124 N -2.30 3.86 0.63 1.29 0.04 -1.26 -4.86 135.00 132.40 2fs9 s PRO 124 Ca 0.48 1.28 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2fs9 s PRO 124 Cb -0.15 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2fs9 s PRO 124 CO 0.20 -0.37 1.11 -1.25 0.04 0.00 0.00 177.00 176.73 2fs9 s PRO 125 N -3.33 2.93 0.61 0.56 0.04 -1.26 -4.88 135.00 129.66 2fs9 s PRO 125 Ca 0.66 1.44 0.29 0.00 0.04 0.00 0.00 61.00 63.42 2fs9 s PRO 125 Cb -0.14 -1.96 1.53 0.00 0.04 0.00 0.00 34.50 33.97 2fs9 s PRO 125 CO 0.20 -1.16 1.93 0.00 0.04 0.00 0.00 177.00 178.01 2fs9 h ALA 126 N 0.29 1.91 0.04 8.56 0.00 -1.96 -1.86 119.26 126.25 2fs9 h ALA 126 Ca -0.47 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2fs9 h ALA 126 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2fs9 h ALA 126 CO 0.55 -0.56 -1.02 0.77 0.00 0.00 0.00 179.25 178.98 2fs9 h SER 127 N 0.00 0.28 -1.61 0.00 0.02 -1.95 -3.47 113.55 106.82 2fs9 h SER 127 Ca 0.14 -0.26 -0.69 0.00 -0.84 0.00 0.00 61.79 60.14 2fs9 h SER 127 Cb 0.95 -0.09 0.05 0.00 0.14 0.00 0.00 62.40 63.46 2fs9 h SER 127 CO -0.00 1.13 0.46 1.21 -1.14 0.00 0.00 176.83 178.49 2fs9 n GLU 128 N -3.56 1.05 -0.00 3.45 4.07 -0.70 -4.90 120.64 120.04 2fs9 n GLU 128 Ca -0.05 0.38 0.03 0.00 -0.06 0.00 0.00 57.16 57.46 2fs9 n GLU 128 Cb 0.91 -2.01 -0.03 0.00 -0.06 0.00 0.00 31.44 30.24 2fs9 n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2fs9 n THR 129 N 2.62 0.00 -3.14 6.31 -2.24 -1.26 -4.93 114.28 111.63 2fs9 n THR 129 Ca 0.19 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2fs9 n THR 129 Cb 0.17 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.10 2fs9 n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2fs9 n PHE 130 N -1.40 -3.01 -0.89 4.78 3.72 -1.26 -4.97 117.46 114.43 2fs9 n PHE 130 Ca 0.00 1.19 -0.28 0.00 -0.05 0.00 0.00 57.45 58.31 2fs9 n PHE 130 Cb 0.11 -3.63 0.21 0.00 -0.94 0.00 0.00 39.48 35.23 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 -3.06 -0.23 1.32 -1.08 0.04 -1.26 -4.95 135.00 125.78 2fs9 s PRO 131 Ca 0.14 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.61 2fs9 s PRO 131 Cb -0.03 -1.65 0.33 0.00 0.04 0.00 0.00 34.50 33.19 2fs9 s PRO 131 CO 0.79 -3.21 1.00 -2.14 0.04 0.00 0.00 177.00 173.49 2fs9 s PRO 132 N -4.75 -2.13 -1.30 0.56 0.02 -1.26 -3.02 135.00 123.13 2fs9 s PRO 132 Ca 0.67 0.14 0.00 0.00 0.02 0.00 0.00 61.00 61.83 2fs9 s PRO 132 Cb -0.21 -1.47 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2fs9 s PRO 132 CO 0.61 -4.35 0.00 0.41 -0.33 0.00 0.00 177.00 173.33 2fs9 n GLY 133 N 0.51 1.17 3.58 0.52 0.00 -1.26 -4.90 105.19 104.81 2fs9 n GLY 133 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2fs9 n GLY 133 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fs9 s MET 134 N -3.01 3.68 -0.58 1.61 -1.94 -1.17 -4.99 119.30 112.90 2fs9 s MET 134 Ca 0.00 0.20 -0.26 0.00 -1.71 0.00 0.00 55.69 53.92 2fs9 s MET 134 Cb 0.00 -3.83 -0.03 0.00 2.01 0.00 0.00 34.83 32.98 2fs9 s MET 134 CO 0.00 -0.89 1.95 -1.25 -0.01 0.00 0.00 175.02 174.83 2fs9 s PRO 135 N 3.09 2.56 0.23 2.03 0.04 -1.26 -4.18 135.00 137.51 2fs9 s PRO 135 Ca 0.30 0.78 0.11 0.00 0.04 0.00 0.00 61.00 62.23 2fs9 s PRO 135 Cb -0.13 -4.41 -0.05 0.00 0.04 0.00 0.00 34.50 29.95 2fs9 s PRO 135 CO 0.18 -2.79 -0.20 0.00 0.04 0.00 0.00 177.00 174.22 2fs9 s TRP 137 N -2.28 1.27 0.02 0.00 0.52 0.16 -1.60 118.94 117.02 2fs9 s TRP 137 Ca 0.25 -0.52 0.05 0.00 0.02 0.00 0.00 56.10 55.89 2fs9 s TRP 137 Cb -0.05 -0.69 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 2fs9 s TRP 137 CO 0.12 0.08 -0.14 0.54 0.02 0.00 0.00 176.95 177.57 2fs9 s VAL 138 N -1.75 1.10 0.07 4.03 0.11 -0.80 -0.28 120.40 122.88 2fs9 s VAL 138 Ca 0.03 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 2fs9 s VAL 138 Cb -0.07 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2fs9 s VAL 138 CO 0.02 0.13 -0.02 0.42 -3.33 0.00 0.00 175.10 172.32 2fs9 s THR 139 N -0.63 0.26 0.00 5.04 -4.23 -1.18 -1.96 115.64 112.94 2fs9 s THR 139 Ca 0.03 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2fs9 s THR 139 Cb -0.07 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2fs9 s THR 139 CO 0.01 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 173.81 2fs9 n GLY 140 N 0.05 -0.52 1.30 3.99 0.00 -1.02 -4.37 105.19 104.61 2fs9 n GLY 140 Ca -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.93 1.42 -1.75 1.61 8.01 -1.26 -2.30 117.44 122.23 2fs9 n TRP 141 Ca 0.00 -1.41 -0.30 0.00 -1.31 0.00 0.00 57.50 54.48 2fs9 n TRP 141 Cb 0.00 -0.52 0.21 0.00 -2.01 0.00 0.00 31.31 28.99 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 -2.09 1.76 0.58 6.99 0.00 -1.25 -4.68 107.32 108.62 2fs9 s GLY 142 Ca 0.46 -1.23 -0.19 0.00 0.00 0.00 0.00 44.72 43.76 2fs9 s GLY 142 CO 0.05 -0.40 1.00 1.22 0.00 0.00 0.00 173.10 174.97 2fs9 n ASP 143 N -4.05 0.99 -0.63 1.64 8.00 0.32 -2.37 116.55 120.45 2fs9 n ASP 143 Ca 0.16 0.85 0.11 0.00 0.71 0.00 0.00 54.79 56.61 2fs9 n ASP 143 Cb 0.59 -1.40 0.35 0.00 -0.02 0.00 0.00 41.12 40.64 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 -1.52 0.25 0.00 2.53 0.24 -0.04 -0.23 118.33 119.56 2fs9 n VAL 144 Ca 0.13 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2fs9 n VAL 144 Cb 0.46 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 4.64 -1.23 -4.46 116.55 109.96 2fs9 n ASP 145 Ca 0.16 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.14 2fs9 n ASP 145 Cb 0.36 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.41 2fs9 n ASP 145 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2fs9 n ASN 146 N 0.00 3.97 -3.37 1.67 3.02 -1.26 -1.79 115.26 117.51 2fs9 n ASN 146 Ca 0.00 0.95 -0.24 0.00 -0.03 0.00 0.00 54.58 55.26 2fs9 n ASN 146 Cb 0.00 -1.51 0.05 0.00 -0.61 0.00 0.00 39.78 37.71 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 6.45 -5.95 -3.54 6.41 10.43 -1.26 -4.97 116.55 124.12 2fs9 n ASP 147 Ca 0.19 -0.45 -0.29 0.00 2.57 0.00 0.00 54.79 56.82 2fs9 n ASP 147 Cb 0.37 -4.75 -0.15 0.00 1.84 0.00 0.00 41.12 38.43 2fs9 n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2fs9 s GLU 149 N -6.07 0.25 0.66 -1.24 2.12 -0.74 -5.10 118.70 108.58 2fs9 s GLU 149 Ca 0.46 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 55.00 2fs9 s GLU 149 Cb -0.21 -1.21 -0.00 0.00 0.26 0.00 0.00 34.13 32.96 2fs9 s GLU 149 CO 0.57 -1.03 1.24 1.03 -0.54 0.00 0.00 175.26 176.53 2fs9 s ARG 150 N 1.99 2.52 0.00 4.30 3.00 -1.26 -0.86 118.95 128.65 2fs9 s ARG 150 Ca 0.10 1.88 0.00 0.00 0.00 0.00 0.00 55.73 57.71 2fs9 s ARG 150 Cb -0.17 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 32.92 2fs9 s ARG 150 CO -0.33 -1.57 0.00 -0.11 0.00 0.00 0.00 175.30 173.28 2fs9 n LEU 151 N -2.11 0.00 -0.50 2.53 7.94 -1.26 -4.51 117.00 119.09 2fs9 n LEU 151 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2fs9 n LEU 151 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2fs9 n LEU 151 CO 0.46 -0.62 0.00 -0.81 -1.11 0.00 0.00 177.39 175.32 2fs9 n PRO 152 N -0.80 0.00 -3.30 1.96 -0.04 -1.26 -5.01 135.00 126.55 2fs9 n PRO 152 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2fs9 n PRO 152 Cb 0.00 -0.34 0.04 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.08 -2.51 -2.57 0.54 3.72 -1.26 -3.90 117.46 111.56 2fs9 n PHE 153 Ca 0.00 0.87 -0.34 0.00 -0.05 0.00 0.00 57.45 57.94 2fs9 n PHE 153 Cb 0.00 -3.93 -0.04 0.00 -0.94 0.00 0.00 39.48 34.57 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 -4.27 3.88 0.05 -1.08 0.04 -1.26 -1.84 135.00 130.51 2fs9 s PRO 154 Ca 0.29 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 2fs9 s PRO 154 Cb -0.06 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 2fs9 s PRO 154 CO 0.77 -0.36 1.30 -1.17 0.04 0.00 0.00 177.00 177.59 2fs9 s LEU 155 N -3.51 4.35 0.24 -3.56 2.96 -0.87 -4.79 118.68 113.50 2fs9 s LEU 155 Ca 0.65 2.12 0.08 0.00 -0.22 0.00 0.00 54.13 56.76 2fs9 s LEU 155 Cb -0.14 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2fs9 s LEU 155 CO 0.20 -0.59 0.09 -0.54 -1.32 0.00 0.00 176.35 174.19 2fs9 s LYS 156 N 1.49 2.62 0.03 1.98 1.02 -0.97 -0.92 119.74 124.98 2fs9 s LYS 156 Ca 0.61 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 55.43 2fs9 s LYS 156 Cb -0.32 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 2fs9 s LYS 156 CO 0.28 0.40 -0.06 1.14 -0.92 0.00 0.00 175.35 176.19 2fs9 s GLN 157 N -3.63 0.43 -0.17 1.68 -2.07 0.50 -2.44 119.66 113.94 2fs9 s GLN 157 Ca 0.32 -0.64 -0.15 0.00 -1.82 0.00 0.00 55.36 53.07 2fs9 s GLN 157 Cb -0.08 -0.15 0.05 0.00 -1.09 0.00 0.00 33.01 31.74 2fs9 s GLN 157 CO 0.22 0.02 0.46 0.54 -1.32 0.00 0.00 175.29 175.21 2fs9 s VAL 158 N -1.27 -0.00 -0.17 3.63 0.11 -0.83 -1.38 120.40 120.49 2fs9 s VAL 158 Ca -0.11 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.70 2fs9 s VAL 158 Cb -0.09 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2fs9 s VAL 158 CO -0.00 0.01 0.88 -0.75 -3.33 0.00 0.00 175.10 171.91 2fs9 s LYS 159 N 0.51 4.31 -0.02 1.54 2.20 -1.26 -1.90 119.74 125.11 2fs9 s LYS 159 Ca -0.02 1.11 0.06 0.00 -0.36 0.00 0.00 55.97 56.76 2fs9 s LYS 159 Cb -0.04 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2fs9 s LYS 159 CO -0.03 -0.37 -0.21 0.14 -0.36 0.00 0.00 175.35 174.52 2fs9 s VAL 160 N 2.29 1.69 0.00 4.02 -7.23 -0.63 -4.90 120.40 115.64 2fs9 s VAL 160 Ca 0.40 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.37 2fs9 s VAL 160 Cb -0.17 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2fs9 s VAL 160 CO 0.12 0.48 1.04 -2.16 -0.31 0.00 0.00 175.10 174.27 2fs9 s PRO 161 N -0.40 4.51 0.25 4.82 0.04 -1.26 -3.85 135.00 139.10 2fs9 s PRO 161 Ca 0.06 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 2fs9 s PRO 161 Cb -0.09 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 2fs9 s PRO 161 CO -0.00 -0.14 0.93 0.42 0.04 0.00 0.00 177.00 178.25 2fs9 s ILE 162 N 1.16 4.11 0.11 0.56 -1.09 -1.26 -1.98 121.20 122.81 2fs9 s ILE 162 Ca 0.53 2.03 0.06 0.00 -2.23 0.00 0.00 60.65 61.05 2fs9 s ILE 162 Cb -0.23 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 2fs9 s ILE 162 CO 0.27 0.45 -0.16 -0.04 -1.23 0.00 0.00 174.94 174.24 2fs9 s MET 163 N -1.30 1.02 0.49 2.79 -1.94 -1.05 -4.05 119.30 115.27 2fs9 s MET 163 Ca 0.42 -1.17 -0.23 0.00 -1.71 0.00 0.00 55.69 53.00 2fs9 s MET 163 Cb -0.25 -1.02 -0.06 0.00 2.01 0.00 0.00 34.83 35.51 2fs9 s MET 163 CO 0.31 0.21 1.28 -1.21 -0.01 0.00 0.00 175.02 175.60 2fs9 s GLU 164 N -2.31 3.50 0.20 2.03 2.02 -1.26 -4.40 118.70 118.48 2fs9 s GLU 164 Ca 0.06 2.06 -0.11 0.00 0.02 0.00 0.00 54.97 57.00 2fs9 s GLU 164 Cb -0.07 -2.39 0.27 0.00 0.10 0.00 0.00 34.13 32.03 2fs9 s GLU 164 CO 0.03 -0.85 1.69 -0.91 0.02 0.00 0.00 175.26 175.25 2fs9 h ASN 165 N 1.87 -0.11 0.25 -0.19 4.21 -1.94 -1.07 115.58 118.60 2fs9 h ASN 165 Ca -0.50 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.10 2fs9 h ASN 165 Cb 1.27 0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 38.66 2fs9 h ASN 165 CO 0.59 -0.04 -0.13 1.12 -1.29 0.00 0.00 177.43 177.68 2fs9 h HIS 166 N 0.19 0.00 -0.10 1.19 2.07 -1.92 0.02 115.15 116.60 2fs9 h HIS 166 Ca 0.30 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.63 2fs9 h HIS 166 Cb 0.46 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.44 2fs9 h HIS 166 CO -0.29 0.13 -0.73 0.82 -3.07 0.00 0.00 177.93 174.79 2fs9 h ILE 167 N 0.00 1.35 -0.07 6.12 1.08 -1.57 -2.78 117.51 121.64 2fs9 h ILE 167 Ca -0.00 -2.08 -0.18 0.00 -0.39 0.00 0.00 64.86 62.20 2fs9 h ILE 167 Cb 0.29 2.06 0.01 0.00 -3.07 0.00 0.00 36.82 36.11 2fs9 h ILE 167 CO 0.02 0.64 -0.67 0.00 -0.69 0.00 0.00 178.15 177.45 2fs9 h ASP 169 N 0.18 0.29 -0.18 0.00 3.58 -1.08 -0.52 116.42 118.69 2fs9 h ASP 169 Ca -0.06 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.44 2fs9 h ASP 169 Cb 1.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2fs9 h ASP 169 CO 0.13 0.19 0.10 0.00 -2.88 0.00 0.00 179.24 176.78 2fs9 h ALA 170 N 1.32 0.22 -0.90 -0.78 0.00 -1.49 -2.51 119.26 115.12 2fs9 h ALA 170 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2fs9 h ALA 170 Cb 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2fs9 h ALA 170 CO -0.21 -0.33 0.59 0.87 0.00 0.00 0.00 179.25 180.17 2fs9 h LYS 171 N 0.20 1.03 0.00 0.00 1.57 -0.82 -1.48 116.57 117.07 2fs9 h LYS 171 Ca 0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2fs9 h LYS 171 Cb 0.01 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2fs9 h LYS 171 CO -0.04 0.68 -0.13 1.88 -0.57 0.00 0.00 179.45 181.27 2fs9 h TYR 172 N 1.06 0.00 0.00 -1.35 -1.99 -0.68 -1.35 116.97 112.66 2fs9 h TYR 172 Ca 0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 2fs9 h TYR 172 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2fs9 h TYR 172 CO -0.00 0.13 -0.18 0.72 -0.00 0.00 0.00 178.16 178.83 2fs9 n HIS 173 N -3.57 0.19 -2.39 4.88 8.25 -0.57 -4.63 115.22 117.38 2fs9 n HIS 173 Ca -0.01 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 2fs9 n HIS 173 Cb 0.26 -0.52 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 2fs9 n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fs9 s LEU 173 N -3.33 4.23 -0.09 2.41 1.43 -0.51 -2.35 118.68 120.47 2fs9 s LEU 173 Ca 0.12 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2fs9 s LEU 173 Cb 0.17 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2fs9 s LEU 173 CO 0.60 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2fs9 n GLY 173 N 3.59 0.36 3.15 -3.19 0.00 -1.26 -5.04 105.19 102.79 2fs9 n GLY 173 Ca 0.13 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.05 1.00 -0.32 4.61 0.00 -0.99 -5.04 121.76 118.98 2fs9 s ALA 173 Ca 0.00 -1.07 0.21 0.00 0.00 0.00 0.00 51.96 51.11 2fs9 s ALA 173 Cb 0.00 0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.30 2fs9 s ALA 173 CO 0.00 -0.00 1.36 1.88 0.00 0.00 0.00 175.76 179.00 2fs9 h TYR 173 N 3.88 0.00 -2.47 0.00 0.05 -1.95 -3.47 116.97 113.01 2fs9 h TYR 173 Ca -0.38 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.81 2fs9 h TYR 173 Cb 1.19 0.00 0.08 0.00 1.01 0.00 0.00 36.73 39.01 2fs9 h TYR 173 CO 0.63 0.11 0.61 2.41 -1.05 0.00 0.00 178.16 180.87 2fs9 n THR 173 N -2.98 0.71 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.66 2fs9 n THR 173 Ca 0.02 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2fs9 n THR 173 Cb 0.58 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 2.41 -3.59 0.00 3.41 0.00 -1.26 -4.92 105.19 101.24 2fs9 n GLY 173 Ca 0.13 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.46 1.61 8.00 -1.26 -4.69 116.55 115.76 2fs9 n ASP 173 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 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 4.83 0.15 2.53 1.01 -1.26 -5.02 120.40 122.63 2fs9 s VAL 173 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 2fs9 s VAL 173 Cb 0.00 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 2fs9 s VAL 173 CO 0.00 -0.82 1.77 -0.60 0.00 0.00 0.00 175.10 175.45 2fs9 s ARG 174 N 2.76 4.14 -0.16 2.72 6.06 -1.26 -4.94 118.95 128.27 2fs9 s ARG 174 Ca 0.17 2.57 -0.16 0.00 -2.50 0.00 0.00 55.73 55.81 2fs9 s ARG 174 Cb -0.18 -3.43 -0.06 0.00 0.06 0.00 0.00 34.95 31.34 2fs9 s ARG 174 CO 0.13 -0.80 -0.31 -0.89 -2.50 0.00 0.00 175.30 170.93 2fs9 n ILE 175 N 4.49 1.46 -2.65 4.11 5.41 -1.26 -4.81 119.36 126.11 2fs9 n ILE 175 Ca 0.17 0.11 -0.42 0.00 1.00 0.00 0.00 62.75 63.60 2fs9 n ILE 175 Cb 0.37 -2.22 -0.03 0.00 -0.71 0.00 0.00 39.64 37.06 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 -2.77 4.09 0.88 1.39 1.01 -1.26 -5.01 120.40 118.73 2fs9 s VAL 176 Ca -0.27 0.69 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 2fs9 s VAL 176 Cb 0.05 -4.70 0.15 0.00 0.00 0.00 0.00 36.38 31.88 2fs9 s VAL 176 CO 0.39 -1.33 1.24 -0.13 0.00 0.00 0.00 175.10 175.27 2fs9 s ARG 177 N 4.76 1.25 0.27 2.72 0.52 -1.26 -4.80 118.95 122.41 2fs9 s ARG 177 Ca 0.39 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2fs9 s ARG 177 Cb -0.09 -1.92 0.39 0.00 0.52 0.00 0.00 34.95 33.85 2fs9 s ARG 177 CO 0.23 -2.02 1.69 -0.44 0.02 0.00 0.00 175.30 174.78 2fs9 h ASP 178 N -1.33 0.42 -0.01 0.23 3.32 -1.98 -2.24 116.42 114.83 2fs9 h ASP 178 Ca -0.45 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2fs9 h ASP 178 Cb 1.27 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2fs9 h ASP 178 CO 0.49 0.74 0.00 -0.90 -1.72 0.00 0.00 179.24 177.85 2fs9 n ASP 179 N -4.07 0.65 -4.60 6.45 5.75 -1.26 -4.81 116.55 114.67 2fs9 n ASP 179 Ca -0.01 -2.01 -0.26 0.00 -0.01 0.00 0.00 54.79 52.50 2fs9 n ASP 179 Cb 0.45 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.46 1.96 -0.03 0.11 -1.94 -0.84 -0.51 119.30 116.59 2fs9 s MET 180 Ca 0.01 -1.87 -0.09 0.00 -1.71 0.00 0.00 55.69 52.04 2fs9 s MET 180 Cb 0.01 -1.81 0.01 0.00 2.01 0.00 0.00 34.83 35.05 2fs9 s MET 180 CO 0.01 0.11 0.19 -1.17 -0.01 0.00 0.00 175.02 174.14 2fs9 s LEU 181 N -3.68 1.33 0.11 -0.03 0.20 0.82 -4.60 118.68 112.82 2fs9 s LEU 181 Ca 0.34 0.04 0.06 0.00 0.69 0.00 0.00 54.13 55.26 2fs9 s LEU 181 Cb 0.02 0.79 -0.03 0.00 -0.43 0.00 0.00 46.19 46.54 2fs9 s LEU 181 CO 0.18 -0.29 -0.16 0.00 -0.29 0.00 0.00 176.35 175.79 2fs9 s ALA 183 N -1.66 -1.74 0.00 0.00 0.00 -0.74 -2.53 121.76 115.09 2fs9 s ALA 183 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2fs9 s ALA 183 Cb -0.08 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2fs9 s ALA 183 CO 0.03 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2fs9 n GLY 184 N -0.32 1.63 0.00 0.00 0.00 -0.84 -1.66 105.19 104.00 2fs9 n GLY 184 Ca -0.09 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 2.04 0.27 -4.65 115.26 114.53 2fs9 n ASN 185 Ca 0.00 -0.24 0.07 0.00 -0.44 0.00 0.00 54.58 53.96 2fs9 n ASN 185 Cb 0.00 0.00 0.41 0.00 -2.53 0.00 0.00 39.78 37.66 2fs9 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2fs9 n THR 186 N 0.00 0.00 0.00 5.53 -2.24 -1.26 -3.23 114.28 113.08 2fs9 n THR 186 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2fs9 n THR 186 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.83 2.87 -3.89 -0.78 1.74 -1.26 -4.85 116.66 109.66 2fs9 n ARG 187 Ca 0.10 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 2fs9 n ARG 187 Cb 0.05 -0.71 -0.17 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.02 0.53 -0.15 5.56 0.52 -1.20 -3.63 118.95 119.56 2fs9 s ARG 188 Ca 0.00 0.07 -0.34 0.00 -0.52 0.00 0.00 55.73 54.94 2fs9 s ARG 188 Cb 0.00 -0.79 0.14 0.00 0.52 0.00 0.00 34.95 34.82 2fs9 s ARG 188 CO 0.00 -0.21 1.25 0.34 0.02 0.00 0.00 175.30 176.70 2fs9 s ASP 189 N 1.51 -0.10 0.56 0.23 2.15 -0.99 -0.56 116.67 119.47 2fs9 s ASP 189 Ca -0.02 -0.04 -0.02 0.00 0.43 0.00 0.00 52.55 52.90 2fs9 s ASP 189 Cb -0.13 0.13 0.02 0.00 -0.30 0.00 0.00 42.92 42.64 2fs9 s ASP 189 CO -0.03 -0.23 0.82 -0.94 -0.17 0.00 0.00 175.17 174.62 2fs9 s SER 190 N -2.40 5.46 0.35 -0.34 1.04 -1.26 0.21 113.70 116.75 2fs9 s SER 190 Ca 0.11 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 2fs9 s SER 190 Cb 0.01 -1.35 0.02 0.00 0.10 0.00 0.00 66.02 64.80 2fs9 s SER 190 CO -0.04 -1.06 0.53 0.00 0.98 0.00 0.00 173.24 173.64 2fs9 n GLN 192 N -0.56 0.98 0.00 0.00 3.00 -1.26 -0.82 117.38 118.72 2fs9 n GLN 192 Ca -0.01 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2fs9 n GLN 192 Cb 0.57 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.81 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 3.57 2.25 0.00 1.08 0.00 -1.26 -0.52 105.19 110.31 2fs9 n GLY 193 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 0.55 -4.58 1.61 8.00 0.00 -3.86 116.55 118.28 2fs9 n ASP 194 Ca 0.00 -0.30 -0.44 0.00 0.71 0.00 0.00 54.79 54.76 2fs9 n ASP 194 Cb 0.00 0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.54 1.13 0.00 -2.24 7.64 -1.26 -0.71 113.62 116.64 2fs9 n SER 195 Ca 0.05 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2fs9 n SER 195 Cb 0.34 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 1.26 3.01 3.45 0.23 0.00 -0.37 0.98 105.19 113.76 2fs9 n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.52 1.50 0.02 -0.02 0.00 0.11 -3.39 107.32 104.03 2fs9 s GLY 197 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2fs9 s GLY 197 CO 0.00 0.06 0.10 2.56 0.00 0.00 0.00 173.10 175.83 2fs9 s PRO 198 N -5.24 3.09 -0.24 2.90 0.04 -1.26 -1.75 135.00 132.55 2fs9 s PRO 198 Ca 0.70 -0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.22 2fs9 s PRO 198 Cb -0.11 -2.87 0.03 0.00 0.04 0.00 0.00 34.50 31.59 2fs9 s PRO 198 CO 0.57 0.63 -0.09 -1.17 0.04 0.00 0.00 177.00 176.97 2fs9 s LEU 199 N -1.99 3.00 0.11 -3.56 2.96 -0.65 -3.11 118.68 115.44 2fs9 s LEU 199 Ca 0.26 -0.88 0.10 0.00 -0.22 0.00 0.00 54.13 53.39 2fs9 s LEU 199 Cb -0.12 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2fs9 s LEU 199 CO 0.18 -0.11 -0.25 0.68 -1.32 0.00 0.00 176.35 175.53 2fs9 s VAL 200 N 1.29 2.05 -0.03 1.68 -7.23 0.62 -0.90 120.40 117.88 2fs9 s VAL 200 Ca 0.00 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2fs9 s VAL 200 Cb -0.16 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2fs9 s VAL 200 CO -0.06 0.07 -0.07 0.00 -0.31 0.00 0.00 175.10 174.73 2fs9 s LYS 202 N 0.41 3.58 -0.15 0.00 2.20 -1.23 -1.82 119.74 122.72 2fs9 s LYS 202 Ca -0.06 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 2fs9 s LYS 202 Cb -0.10 -3.95 0.01 0.00 -1.51 0.00 0.00 37.83 32.28 2fs9 s LYS 202 CO 0.00 -1.41 -0.20 0.08 -0.36 0.00 0.00 175.35 173.46 2fs9 s VAL 203 N 4.31 2.21 -1.47 4.02 1.01 0.71 -4.62 120.40 126.57 2fs9 s VAL 203 Ca 0.42 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2fs9 s VAL 203 Cb -0.09 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.44 2fs9 s VAL 203 CO 0.28 0.54 1.03 0.59 0.00 0.00 0.00 175.10 177.53 2fs9 n ASN 204 N 4.22 -5.42 -0.67 3.32 5.03 -1.26 -1.82 115.26 118.67 2fs9 n ASN 204 Ca -0.20 -0.67 -0.09 0.00 0.87 0.00 0.00 54.58 54.49 2fs9 n ASN 204 Cb 0.51 -4.30 -0.04 0.00 -1.02 0.00 0.00 39.78 34.93 2fs9 n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2fs9 n GLY 205 N -1.79 1.04 3.00 7.41 0.00 -1.26 -5.02 105.19 108.58 2fs9 n GLY 205 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.26 0.52 -0.10 2.61 -4.23 -0.75 -5.11 115.64 106.30 2fs9 s THR 206 Ca 0.00 -0.52 -0.25 0.00 -1.18 0.00 0.00 61.69 59.74 2fs9 s THR 206 Cb 0.00 -0.48 -0.03 0.00 1.34 0.00 0.00 72.50 73.33 2fs9 s THR 206 CO 0.00 -0.02 0.78 0.26 -0.54 0.00 0.00 174.62 175.10 2fs9 s TRP 207 N -0.52 3.52 -0.03 3.99 0.52 -1.26 -0.21 118.94 124.95 2fs9 s TRP 207 Ca -0.01 1.28 0.06 0.00 0.02 0.00 0.00 56.10 57.45 2fs9 s TRP 207 Cb -0.05 -2.92 -0.01 0.00 -1.15 0.00 0.00 33.47 29.34 2fs9 s TRP 207 CO 0.00 -0.06 -0.21 -0.51 0.02 0.00 0.00 176.95 176.19 2fs9 s LEU 208 N 1.38 2.02 -0.58 2.99 1.43 -0.76 -3.70 118.68 121.47 2fs9 s LEU 208 Ca 0.39 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2fs9 s LEU 208 Cb -0.18 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 44.97 2fs9 s LEU 208 CO 0.17 0.24 1.06 -1.58 0.23 0.00 0.00 176.35 176.46 2fs9 s GLN 209 N -0.33 3.37 0.11 1.70 0.74 -0.59 -1.53 119.66 123.13 2fs9 s GLN 209 Ca 0.04 -0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.32 2fs9 s GLN 209 Cb -0.10 -4.06 -0.17 0.00 1.10 0.00 0.00 33.01 29.79 2fs9 s GLN 209 CO 0.00 -1.63 1.25 0.00 -0.55 0.00 0.00 175.29 174.36 2fs9 h ALA 210 N 9.47 0.28 -2.90 1.58 0.00 -1.37 -3.39 119.26 122.92 2fs9 h ALA 210 Ca -0.26 -0.80 -0.18 0.00 0.00 0.00 0.00 54.91 53.67 2fs9 h ALA 210 Cb 1.07 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2fs9 h ALA 210 CO 1.14 0.93 -0.12 0.20 0.00 0.00 0.00 179.25 181.40 2fs9 s GLY 211 N -4.56 1.07 -0.10 0.00 0.00 -0.92 -1.85 107.32 100.95 2fs9 s GLY 211 Ca -0.04 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.46 2fs9 s GLY 211 CO 0.86 -0.81 -0.17 0.14 0.00 0.00 0.00 173.10 173.12 2fs9 s VAL 212 N -3.27 1.58 -0.19 1.40 1.01 -0.90 -1.64 120.40 118.39 2fs9 s VAL 212 Ca 0.26 -0.71 -0.35 0.00 0.00 0.00 0.00 61.98 61.19 2fs9 s VAL 212 Cb -0.01 -1.42 -0.12 0.00 0.00 0.00 0.00 36.38 34.83 2fs9 s VAL 212 CO 0.16 0.46 1.93 0.52 0.00 0.00 0.00 175.10 178.17 2fs9 n VAL 213 N 4.02 0.44 0.01 2.92 0.31 -0.71 -0.86 118.33 124.45 2fs9 n VAL 213 Ca -0.20 -0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 63.98 2fs9 n VAL 213 Cb 0.52 -1.74 -0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 7.30 0.66 -2.56 4.52 2.88 -0.86 -1.24 113.62 124.33 2fs9 n SER 214 Ca 0.27 0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.86 2fs9 n SER 214 Cb 0.26 -0.29 0.02 0.00 -0.75 0.00 0.00 64.21 63.45 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 -3.12 -1.67 0.00 0.66 4.27 -0.82 -4.92 117.44 111.85 2fs9 n TRP 215 Ca -0.02 -1.24 0.00 0.00 -3.89 0.00 0.00 57.50 52.36 2fs9 n TRP 215 Cb 0.07 0.61 0.00 0.00 -1.36 0.00 0.00 31.31 30.63 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 -0.48 0.70 3.40 -1.67 0.00 -1.26 0.12 105.19 106.00 2fs9 n GLY 216 Ca -0.05 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 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 3.26 2.03 1.61 2.12 -1.26 -4.90 118.70 119.55 2fs9 s GLU 217 Ca 0.00 -1.46 0.00 0.00 0.36 0.00 0.00 54.97 53.87 2fs9 s GLU 217 Cb 0.00 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 29.95 2fs9 s GLU 217 CO 0.00 -1.63 0.00 0.41 -0.54 0.00 0.00 175.26 173.50 2fs9 n GLY 219 N 5.20 -0.93 3.07 -1.50 0.00 -1.26 -4.63 105.19 105.14 2fs9 n GLY 219 Ca 0.02 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 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 3.25 -1.31 -2.76 0.00 0.00 -1.26 -4.73 120.51 113.70 2fs9 n ALA 221 Ca -0.18 0.02 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 2fs9 n ALA 221 Cb 0.53 -3.58 -0.05 0.00 0.00 0.00 0.00 19.45 16.35 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 -6.85 3.58 0.19 0.00 -1.52 -1.26 -4.31 119.66 109.49 2fs9 s GLN 221 Ca 0.68 -0.08 -0.33 0.00 -1.95 0.00 0.00 55.36 53.68 2fs9 s GLN 221 Cb -0.36 -3.07 -0.14 0.00 -0.22 0.00 0.00 33.01 29.21 2fs9 s GLN 221 CO 0.91 0.64 1.37 -0.35 -0.25 0.00 0.00 175.29 177.61 2fs9 n PRO 222 N 1.08 1.73 -2.23 2.91 -0.04 -1.26 -1.81 135.00 135.37 2fs9 n PRO 222 Ca -0.11 0.62 -0.21 0.00 -0.04 0.00 0.00 63.50 63.76 2fs9 n PRO 222 Cb 0.53 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 2fs9 n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2fs9 n ASN 223 N 2.41 -5.77 -3.05 3.54 3.02 -1.26 -4.91 115.26 109.24 2fs9 n ASN 223 Ca 0.14 0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.61 2fs9 n ASN 223 Cb 0.28 -4.84 -0.01 0.00 -0.61 0.00 0.00 39.78 34.60 2fs9 n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2fs9 n ARG 224 N -2.86 0.89 -1.32 3.52 5.12 -0.75 -3.68 116.66 117.57 2fs9 n ARG 224 Ca -0.24 -2.86 -0.34 0.00 -1.93 0.00 0.00 57.85 52.49 2fs9 n ARG 224 Cb 0.68 -1.42 0.10 0.00 -1.16 0.00 0.00 32.46 30.67 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 -1.20 1.97 0.42 5.56 0.04 -1.26 -4.31 135.00 136.21 2fs9 s PRO 225 Ca 0.34 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 2fs9 s PRO 225 Cb 0.28 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.91 2fs9 s PRO 225 CO -0.10 -1.96 1.33 0.20 0.04 0.00 0.00 177.00 176.51 2fs9 s GLY 226 N -2.13 2.92 -0.05 0.56 0.00 -0.66 -4.76 107.32 103.20 2fs9 s GLY 226 Ca 0.73 1.28 0.01 0.00 0.00 0.00 0.00 44.72 46.74 2fs9 s GLY 226 CO 0.47 1.87 -0.04 -0.42 0.00 0.00 0.00 173.10 174.99 2fs9 s ILE 227 N -1.25 3.93 0.07 0.90 -1.09 0.12 -1.80 121.20 122.08 2fs9 s ILE 227 Ca 0.58 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.56 2fs9 s ILE 227 Cb -0.39 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2fs9 s ILE 227 CO 0.50 0.54 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.32 2fs9 s TYR 228 N -0.90 1.09 0.17 3.97 1.51 0.20 -1.94 117.35 121.45 2fs9 s TYR 228 Ca 0.14 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 2fs9 s TYR 228 Cb -0.11 -0.61 -0.08 0.00 -0.11 0.00 0.00 41.96 41.05 2fs9 s TYR 228 CO 0.04 0.02 1.20 0.99 -1.11 0.00 0.00 175.55 176.70 2fs9 s THR 229 N -1.58 3.60 -0.60 -0.71 2.01 -0.04 -0.13 115.64 118.19 2fs9 s THR 229 Ca -0.01 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.04 2fs9 s THR 229 Cb -0.08 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.62 2fs9 s THR 229 CO 0.02 0.20 1.12 -0.60 -0.69 0.00 0.00 174.62 174.66 2fs9 s ARG 230 N -0.07 3.40 0.31 4.92 3.52 0.33 -2.12 118.95 129.24 2fs9 s ARG 230 Ca 0.54 -0.02 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 2fs9 s ARG 230 Cb -0.32 -4.06 0.66 0.00 -1.56 0.00 0.00 34.95 29.67 2fs9 s ARG 230 CO 0.36 -1.69 1.84 0.28 -0.81 0.00 0.00 175.30 175.27 2fs9 h VAL 231 N 6.09 0.86 0.00 7.11 2.07 -1.65 -1.81 116.25 128.92 2fs9 h VAL 231 Ca -0.26 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2fs9 h VAL 231 Cb 1.06 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2fs9 h VAL 231 CO 1.17 0.16 -0.04 0.71 0.02 0.00 0.00 177.57 179.59 2fs9 h THR 232 N 0.87 0.93 0.00 2.57 1.35 -1.87 -2.20 112.91 114.56 2fs9 h THR 232 Ca 0.49 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 66.18 2fs9 h THR 232 Cb 0.62 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 2fs9 h THR 232 CO -0.26 0.04 -0.21 0.22 -0.25 0.00 0.00 175.52 175.05 2fs9 h TYR 233 N 0.00 0.00 -0.23 4.73 5.03 -1.70 -3.16 116.97 121.65 2fs9 h TYR 233 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2fs9 h TYR 233 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.35 2fs9 h TYR 233 CO 0.00 0.21 0.00 0.66 -1.32 0.00 0.00 178.16 177.71 2fs9 n TYR 234 N -3.58 0.53 -0.20 -3.82 4.01 -0.84 -4.73 117.16 108.53 2fs9 n TYR 234 Ca -0.01 -0.70 0.01 0.00 -0.16 0.00 0.00 57.90 57.04 2fs9 n TYR 234 Cb 0.35 -0.15 0.12 0.00 -0.31 0.00 0.00 39.34 39.35 2fs9 n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fs9 h LEU 235 N 1.45 0.10 -0.69 7.72 3.38 -1.48 -1.20 115.31 124.58 2fs9 h LEU 235 Ca 0.00 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2fs9 h LEU 235 Cb 1.00 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2fs9 h LEU 235 CO 0.08 0.06 0.39 0.44 0.09 0.00 0.00 178.44 179.50 2fs9 h ASP 236 N 0.32 0.58 -0.25 -0.43 3.45 -1.86 0.18 116.42 118.42 2fs9 h ASP 236 Ca 0.32 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.80 2fs9 h ASP 236 Cb 0.46 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 2fs9 h ASP 236 CO -0.37 0.37 0.11 -0.25 -1.57 0.00 0.00 179.24 177.53 2fs9 h TRP 237 N 0.71 0.37 0.31 4.55 7.01 -1.66 -2.66 115.95 124.57 2fs9 h TRP 237 Ca 0.31 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 2fs9 h TRP 237 Cb 0.19 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 2fs9 h TRP 237 CO -0.07 0.37 -0.21 0.82 -2.79 0.00 0.00 178.44 176.55 2fs9 h ILE 238 N 0.26 0.55 0.00 2.65 2.04 -0.73 -1.98 117.51 120.30 2fs9 h ILE 238 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2fs9 h ILE 238 Cb 0.15 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 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 -5.34 0.00 0.73 1.37 8.25 0.00 -0.44 115.22 119.79 2fs9 n HIS 239 Ca -0.09 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.50 2fs9 n HIS 239 Cb 0.25 -0.35 0.46 0.00 1.12 0.00 0.00 29.99 31.47 2fs9 n HIS 239 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fs9 n HIS 240 N -1.35 0.68 0.00 4.41 -0.00 -0.74 -4.27 115.22 113.95 2fs9 n HIS 240 Ca 0.01 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 2fs9 n HIS 240 Cb 0.03 -0.82 0.00 0.00 -0.00 0.00 0.00 29.99 29.20 2fs9 n HIS 240 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2fs9 n TYR 241 N -2.06 0.00 -3.15 1.57 4.01 0.42 -5.03 117.16 112.92 2fs9 n TYR 241 Ca 0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.40 2fs9 n TYR 241 Cb 0.41 0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.42 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 -1.97 5.04 0.38 -0.72 1.01 -0.00 -5.03 120.40 119.10 2fs9 s VAL 242 Ca 0.00 1.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 2fs9 s VAL 242 Cb 0.00 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 2fs9 s VAL 242 CO 0.00 0.11 1.25 -2.65 0.00 0.00 0.00 175.10 173.82 2fs9 n PRO 243 N 5.09 1.96 0.00 2.72 -0.02 -1.26 -4.33 135.00 139.17 2fs9 n PRO 243 Ca -0.02 0.69 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 2fs9 n PRO 243 Cb 0.50 -2.32 0.53 0.00 -0.02 0.00 0.00 33.50 32.19 2fs9 n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11