#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 4.26 -1.11 1.39 1.01 0.16 -3.83 120.40 122.27 2fs9 s VAL 17 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2fs9 s VAL 17 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2fs9 s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2fs9 n GLY 18 N 3.20 0.38 0.00 4.51 0.00 -1.24 -2.45 105.19 109.59 2fs9 n GLY 18 Ca -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.19 2.64 3.61 -0.02 0.00 -1.26 -4.85 105.19 104.13 2fs9 n GLY 19 Ca -0.13 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 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 4.17 1.49 0.36 1.61 -2.07 -0.84 -4.96 119.66 119.42 2fs9 s GLN 20 Ca 0.00 -0.69 -0.28 0.00 -1.82 0.00 0.00 55.36 52.57 2fs9 s GLN 20 Cb 0.00 0.59 -0.10 0.00 -1.09 0.00 0.00 33.01 32.41 2fs9 s GLN 20 CO 0.00 -0.67 1.34 -2.00 -1.32 0.00 0.00 175.29 172.64 2fs9 s GLU 21 N -3.81 4.23 0.06 9.60 2.12 -1.26 -1.41 118.70 128.23 2fs9 s GLU 21 Ca 0.05 2.28 -0.26 0.00 0.36 0.00 0.00 54.97 57.40 2fs9 s GLU 21 Cb -0.03 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 31.32 2fs9 s GLU 21 CO -0.04 -0.32 0.80 0.00 -0.54 0.00 0.00 175.26 175.15 2fs9 s ALA 22 N -1.16 3.36 0.74 6.30 0.00 -0.20 -4.82 121.76 125.98 2fs9 s ALA 22 Ca 0.51 0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 2fs9 s ALA 22 Cb -0.41 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 19.72 2fs9 s ALA 22 CO 0.54 0.07 1.19 -1.25 0.00 0.00 0.00 175.76 176.31 2fs9 s PRO 23 N -0.13 2.11 0.47 0.00 0.04 -1.26 -4.89 135.00 131.34 2fs9 s PRO 23 Ca 0.40 1.69 0.17 0.00 0.04 0.00 0.00 61.00 63.29 2fs9 s PRO 23 Cb -0.21 -1.84 1.15 0.00 0.04 0.00 0.00 34.50 33.64 2fs9 s PRO 23 CO 0.24 -1.84 2.01 0.00 0.04 0.00 0.00 177.00 177.46 2fs9 h ARG 24 N -0.42 0.25 0.00 4.56 3.08 -2.00 -2.63 114.38 117.22 2fs9 h ARG 24 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2fs9 h ARG 24 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2fs9 h ARG 24 CO 0.49 0.16 0.00 -1.13 -1.07 0.00 0.00 179.97 178.43 2fs9 n SER 25 N -4.46 0.00 -4.93 7.04 3.41 -1.26 -4.87 113.62 108.55 2fs9 n SER 25 Ca 0.07 0.47 -0.28 0.00 -0.26 0.00 0.00 58.87 58.87 2fs9 n SER 25 Cb 0.37 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.98 3.49 -1.13 4.33 1.02 -0.99 -4.63 119.74 118.84 2fs9 s LYS 26 Ca 0.14 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 2fs9 s LYS 26 Cb 0.19 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 2fs9 s LYS 26 CO 0.51 0.48 0.91 0.91 -0.92 0.00 0.00 175.35 177.24 2fs9 n TRP 27 N -0.36 -2.27 0.68 3.18 5.03 -1.26 -4.89 117.44 117.55 2fs9 n TRP 27 Ca -0.05 0.84 0.07 0.00 3.03 0.00 0.00 57.50 61.39 2fs9 n TRP 27 Cb 0.53 -4.38 0.36 0.00 -1.03 0.00 0.00 31.31 26.78 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 -3.71 0.23 -0.00 -0.99 -0.04 -1.26 -2.79 135.00 126.44 2fs9 n PRO 28 Ca -0.16 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2fs9 n PRO 28 Cb 0.64 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.25 0.06 -1.67 0.54 2.14 -1.19 -2.30 117.44 113.78 2fs9 n TRP 29 Ca 0.07 0.02 -0.46 0.00 2.07 0.00 0.00 57.50 59.20 2fs9 n TRP 29 Cb 0.10 -0.47 -0.04 0.00 -0.81 0.00 0.00 31.31 30.09 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 -2.19 2.09 -4.37 -2.67 -0.06 -1.12 -1.55 117.38 107.52 2fs9 n GLN 30 Ca -0.03 0.76 -0.19 0.00 -2.00 0.00 0.00 57.00 55.54 2fs9 n GLN 30 Cb 0.54 -2.51 -0.10 0.00 -4.06 0.00 0.00 30.24 24.10 2fs9 n GLN 30 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2fs9 s VAL 31 N 0.84 1.16 -0.06 1.69 -7.23 -0.54 -2.21 120.40 114.05 2fs9 s VAL 31 Ca 0.79 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2fs9 s VAL 31 Cb -0.69 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2fs9 s VAL 31 CO 0.39 -0.25 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.20 2fs9 s SER 32 N -3.36 2.33 -0.14 4.85 0.15 0.27 -2.39 113.70 115.40 2fs9 s SER 32 Ca 0.30 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 56.41 2fs9 s SER 32 Cb 0.06 -0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2fs9 s SER 32 CO 0.11 0.13 0.34 -0.76 1.20 0.00 0.00 173.24 174.25 2fs9 s LEU 33 N 0.28 4.27 -0.07 3.45 1.43 0.56 -0.99 118.68 127.60 2fs9 s LEU 33 Ca -0.10 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 2fs9 s LEU 33 Cb -0.14 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 2fs9 s LEU 33 CO 0.04 0.10 -0.18 -0.13 0.23 0.00 0.00 176.35 176.41 2fs9 s ARG 34 N 0.37 2.70 0.00 1.70 1.81 -0.04 -1.46 118.95 124.04 2fs9 s ARG 34 Ca 0.19 -0.77 0.04 0.00 -1.72 0.00 0.00 55.73 53.47 2fs9 s ARG 34 Cb -0.14 -2.35 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 2fs9 s ARG 34 CO 0.06 0.45 -0.09 0.54 -0.68 0.00 0.00 175.30 175.58 2fs9 s VAL 35 N -0.30 3.44 0.11 3.52 0.11 -0.33 -1.26 120.40 125.69 2fs9 s VAL 35 Ca 0.02 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 2fs9 s VAL 35 Cb -0.13 -2.47 -0.06 0.00 -1.53 0.00 0.00 36.38 32.19 2fs9 s VAL 35 CO 0.03 0.41 1.11 -2.28 -3.33 0.00 0.00 175.10 171.04 2fs9 s HIS 36 N -0.95 3.56 0.00 1.54 2.46 -0.00 -2.32 115.29 119.57 2fs9 s HIS 36 Ca 0.16 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.20 2fs9 s HIS 36 Cb -0.11 -3.30 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2fs9 s HIS 36 CO 0.06 -0.74 0.00 0.41 -2.47 0.00 0.00 174.74 172.01 2fs9 n GLY 37 N 2.57 2.61 0.22 1.59 0.00 -1.26 -4.96 105.19 105.95 2fs9 n GLY 37 Ca 0.05 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.08 2fs9 n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fs9 h PRO 37 N 0.00 0.00 -1.71 1.61 0.13 -2.04 -3.43 132.00 126.56 2fs9 h PRO 37 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2fs9 h PRO 37 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2fs9 h PRO 37 CO 0.00 0.00 0.44 1.52 -0.23 0.00 0.00 178.00 179.73 2fs9 s TYR 37 N -3.72 -0.45 -0.88 1.56 1.13 -1.26 -5.08 117.35 108.66 2fs9 s TYR 37 Ca -0.02 0.76 -0.25 0.00 -1.41 0.00 0.00 57.07 56.14 2fs9 s TYR 37 Cb 0.09 0.44 -0.12 0.00 -1.10 0.00 0.00 41.96 41.27 2fs9 s TYR 37 CO 0.30 -0.43 2.22 -1.58 -2.51 0.00 0.00 175.55 173.55 2fs9 s TRP 38 N -1.21 1.37 0.19 -3.49 0.52 -1.26 -4.77 118.94 110.29 2fs9 s TRP 38 Ca -0.04 1.58 -0.27 0.00 0.02 0.00 0.00 56.10 57.39 2fs9 s TRP 38 Cb -0.00 -3.62 -0.08 0.00 -1.15 0.00 0.00 33.47 28.62 2fs9 s TRP 38 CO 0.04 -1.49 0.82 1.41 0.02 0.00 0.00 176.95 177.75 2fs9 s MET 39 N 8.20 4.65 0.04 4.98 1.75 -0.98 -4.74 119.30 133.21 2fs9 s MET 39 Ca 0.84 1.25 -0.31 0.00 -1.25 0.00 0.00 55.69 56.23 2fs9 s MET 39 Cb -0.10 -3.27 -0.06 0.00 2.84 0.00 0.00 34.83 34.25 2fs9 s MET 39 CO 0.07 0.56 1.33 -1.58 -0.65 0.00 0.00 175.02 174.75 2fs9 s HIS 40 N -1.15 3.13 0.00 4.11 2.46 -1.26 -1.19 115.29 121.39 2fs9 s HIS 40 Ca 0.37 1.00 0.00 0.00 0.47 0.00 0.00 55.06 56.90 2fs9 s HIS 40 Cb -0.24 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 2fs9 s HIS 40 CO 0.28 -2.06 0.00 1.97 -2.47 0.00 0.00 174.74 172.46 2fs9 n PHE 41 N 4.61 0.00 -3.70 3.88 -1.74 -0.53 -4.96 117.46 115.01 2fs9 n PHE 41 Ca 0.11 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.91 2fs9 n PHE 41 Cb 0.44 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.41 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 -0.39 2.06 3.49 0.00 0.00 0.17 -0.33 105.19 110.20 2fs9 n GLY 43 Ca -0.10 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.75 2fs9 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs9 n GLY 44 N -0.00 0.21 3.03 -0.02 0.00 -1.01 -3.66 105.19 103.74 2fs9 n GLY 44 Ca 0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.52 -0.12 -0.26 1.61 1.04 -0.55 -1.46 113.70 110.43 2fs9 s SER 45 Ca 0.27 0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.65 2fs9 s SER 45 Cb -0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.40 2fs9 s SER 45 CO -0.01 -0.09 0.99 -0.22 0.98 0.00 0.00 173.24 174.89 2fs9 s LEU 46 N -0.10 4.05 0.00 2.42 2.96 -0.60 -0.53 118.68 126.88 2fs9 s LEU 46 Ca -0.02 1.16 0.08 0.00 -0.22 0.00 0.00 54.13 55.13 2fs9 s LEU 46 Cb -0.02 -3.44 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 2fs9 s LEU 46 CO 0.00 -0.70 0.51 2.30 -1.32 0.00 0.00 176.35 177.15 2fs9 n ILE 47 N 5.48 0.00 -3.49 6.68 -5.35 -0.77 -1.26 119.36 120.66 2fs9 n ILE 47 Ca 0.10 -0.40 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 2fs9 n ILE 47 Cb 0.47 1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 39.40 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 -1.30 -0.60 0.49 4.28 5.04 -1.20 -4.69 115.29 117.32 2fs9 s HIS 48 Ca 0.06 0.80 0.27 0.00 -1.54 0.00 0.00 55.06 54.65 2fs9 s HIS 48 Cb 0.06 0.46 1.35 0.00 0.04 0.00 0.00 32.58 34.49 2fs9 s HIS 48 CO 0.23 -0.70 1.87 -1.35 -2.34 0.00 0.00 174.74 172.44 2fs9 h PRO 49 N 2.63 0.13 -0.25 2.88 0.11 -1.95 -1.86 132.00 133.70 2fs9 h PRO 49 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2fs9 h PRO 49 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fs9 h PRO 49 CO 0.39 0.09 0.00 1.04 -0.21 0.00 0.00 178.00 179.31 2fs9 n GLN 50 N -4.36 2.84 -4.36 1.05 6.02 -1.26 -0.81 117.38 116.50 2fs9 n GLN 50 Ca 0.20 -2.10 -0.19 0.00 -0.01 0.00 0.00 57.00 54.90 2fs9 n GLN 50 Cb 0.90 -1.32 -0.15 0.00 1.02 0.00 0.00 30.24 30.70 2fs9 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2fs9 s TRP 51 N -1.37 0.83 -0.09 1.08 0.52 -0.70 -0.61 118.94 118.59 2fs9 s TRP 51 Ca 0.22 -0.17 0.04 0.00 0.02 0.00 0.00 56.10 56.21 2fs9 s TRP 51 Cb 0.14 -0.56 -0.01 0.00 -1.15 0.00 0.00 33.47 31.90 2fs9 s TRP 51 CO 0.11 -0.04 -0.22 0.08 0.02 0.00 0.00 176.95 176.90 2fs9 s VAL 52 N -0.05 2.31 -0.16 4.03 1.01 0.11 -1.84 120.40 125.81 2fs9 s VAL 52 Ca 0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2fs9 s VAL 52 Cb -0.05 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2fs9 s VAL 52 CO -0.00 0.56 0.17 -0.22 0.00 0.00 0.00 175.10 175.60 2fs9 s LEU 53 N 0.17 4.30 0.00 3.92 2.96 0.31 0.08 118.68 130.41 2fs9 s LEU 53 Ca -0.12 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2fs9 s LEU 53 Cb -0.16 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2fs9 s LEU 53 CO 0.07 0.26 0.00 1.07 -1.32 0.00 0.00 176.35 176.43 2fs9 n THR 54 N 2.86 0.00 -3.92 3.68 5.66 -0.48 -1.48 114.28 120.60 2fs9 n THR 54 Ca -0.17 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 2fs9 n THR 54 Cb 0.53 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 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 -1.58 3.53 0.27 1.79 0.00 -1.26 -1.54 121.76 122.98 2fs9 s ALA 55 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2fs9 s ALA 55 Cb 0.00 -1.99 0.61 0.00 0.00 0.00 0.00 23.12 21.74 2fs9 s ALA 55 CO 0.00 0.23 1.73 0.00 0.00 0.00 0.00 175.76 177.72 2fs9 h ALA 56 N 6.48 1.33 0.00 0.00 0.00 -1.68 -0.32 119.26 125.07 2fs9 h ALA 56 Ca -0.40 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2fs9 h ALA 56 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2fs9 h ALA 56 CO 0.71 -0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.36 2fs9 n HIS 57 N -4.96 0.63 0.18 0.00 1.44 -1.26 0.65 115.22 111.90 2fs9 n HIS 57 Ca 0.19 0.29 0.05 0.00 -2.01 0.00 0.00 57.72 56.24 2fs9 n HIS 57 Cb 0.53 -0.97 0.26 0.00 0.12 0.00 0.00 29.99 29.93 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 -3.43 0.02 -3.79 0.00 0.24 -0.28 -5.01 118.33 106.08 2fs9 n VAL 59 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2fs9 n VAL 59 Cb 0.57 1.45 0.00 0.00 -1.47 0.00 0.00 33.84 34.39 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 -0.01 4.40 0.22 7.63 0.00 0.21 -4.46 105.19 113.18 2fs9 n GLY 60 Ca 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -6.90 1.61 0.13 -1.81 -3.41 132.00 121.62 2fs9 h PRO 60 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.30 -0.51 -0.23 0.00 0.00 178.00 177.56 2fs9 s ASP 60 N -5.47 7.12 0.26 1.44 1.11 -1.26 -5.00 116.67 114.88 2fs9 s ASP 60 Ca 0.04 1.70 -0.30 0.00 0.18 0.00 0.00 52.55 54.17 2fs9 s ASP 60 Cb 0.08 -2.53 -0.10 0.00 1.07 0.00 0.00 42.92 41.44 2fs9 s ASP 60 CO 0.56 -0.17 1.42 0.68 1.18 0.00 0.00 175.17 178.84 2fs9 s VAL 60 N -1.84 2.66 0.23 -1.27 -7.23 -1.26 -5.00 120.40 106.69 2fs9 s VAL 60 Ca 0.54 0.57 0.06 0.00 -1.81 0.00 0.00 61.98 61.34 2fs9 s VAL 60 Cb -0.14 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2fs9 s VAL 60 CO 0.19 0.10 0.19 -0.54 -0.31 0.00 0.00 175.10 174.73 2fs9 s LYS 60 N -0.60 2.95 -0.21 4.82 -0.14 -1.26 -5.08 119.74 120.21 2fs9 s LYS 60 Ca 0.58 -0.99 -0.25 0.00 -1.36 0.00 0.00 55.97 53.94 2fs9 s LYS 60 Cb -0.42 -2.60 -0.01 0.00 -1.68 0.00 0.00 37.83 33.12 2fs9 s LYS 60 CO 0.45 0.42 0.85 0.34 -0.76 0.00 0.00 175.35 176.65 2fs9 s ASP 60 N -3.68 6.91 0.40 2.83 3.68 -1.26 -4.94 116.67 120.62 2fs9 s ASP 60 Ca 0.32 1.13 0.09 0.00 2.13 0.00 0.00 52.55 56.22 2fs9 s ASP 60 Cb -0.08 -2.45 0.84 0.00 -1.45 0.00 0.00 42.92 39.78 2fs9 s ASP 60 CO 0.25 -0.47 1.99 -0.07 0.13 0.00 0.00 175.17 176.99 2fs9 h LEU 61 N 8.80 0.32 -2.54 -1.34 3.38 -1.94 -2.57 115.31 119.41 2fs9 h LEU 61 Ca -0.26 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2fs9 h LEU 61 Cb 1.11 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2fs9 h LEU 61 CO 0.86 0.35 -0.02 0.00 0.09 0.00 0.00 178.44 179.72 2fs9 h ALA 62 N 1.70 1.27 -0.19 1.53 0.00 -1.92 -1.54 119.26 120.12 2fs9 h ALA 62 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fs9 h ALA 62 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2fs9 h ALA 62 CO -0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2fs9 n ALA 63 N -2.21 2.50 -2.37 0.00 0.00 -0.97 -4.91 120.51 112.56 2fs9 n ALA 63 Ca -0.03 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.48 2fs9 n ALA 63 Cb 0.11 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.63 2.27 0.05 0.00 2.96 -0.58 -0.82 118.68 120.93 2fs9 s LEU 64 Ca 0.34 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2fs9 s LEU 64 Cb 0.19 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 2fs9 s LEU 64 CO 0.28 0.29 0.11 -0.13 -1.32 0.00 0.00 176.35 175.58 2fs9 s ARG 65 N -0.98 0.67 -0.04 1.98 1.81 -0.39 -4.19 118.95 117.81 2fs9 s ARG 65 Ca 0.12 -0.87 0.06 0.00 -1.72 0.00 0.00 55.73 53.32 2fs9 s ARG 65 Cb -0.10 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.64 2fs9 s ARG 65 CO 0.01 -0.18 -0.23 0.08 -0.68 0.00 0.00 175.30 174.31 2fs9 s VAL 66 N -3.15 2.31 -0.13 3.52 1.01 0.12 -0.86 120.40 123.22 2fs9 s VAL 66 Ca -0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2fs9 s VAL 66 Cb 0.02 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2fs9 s VAL 66 CO -0.07 0.58 -0.19 -1.58 0.00 0.00 0.00 175.10 173.84 2fs9 s GLN 67 N -0.53 2.67 1.07 2.72 2.00 -0.16 0.21 119.66 127.63 2fs9 s GLN 67 Ca 0.07 -0.73 -0.17 0.00 -2.00 0.00 0.00 55.36 52.53 2fs9 s GLN 67 Cb -0.11 -2.20 0.24 0.00 0.80 0.00 0.00 33.01 31.74 2fs9 s GLN 67 CO 0.00 -0.04 1.24 -0.51 -0.50 0.00 0.00 175.29 175.49 2fs9 s LEU 68 N 0.89 1.89 -0.44 3.68 1.43 -1.26 -0.57 118.68 124.30 2fs9 s LEU 68 Ca -0.07 0.40 -0.45 0.00 -1.03 0.00 0.00 54.13 52.98 2fs9 s LEU 68 Cb -0.15 -2.30 -0.19 0.00 0.03 0.00 0.00 46.19 43.58 2fs9 s LEU 68 CO -0.02 -3.33 1.67 -1.14 0.23 0.00 0.00 176.35 173.76 2fs9 n ARG 69 N -4.19 0.31 -4.78 1.70 0.63 -0.94 -4.70 116.66 104.70 2fs9 n ARG 69 Ca 0.15 0.11 -0.26 0.00 -0.92 0.00 0.00 57.85 56.93 2fs9 n ARG 69 Cb 0.59 -1.67 -0.17 0.00 0.45 0.00 0.00 32.46 31.67 2fs9 n ARG 69 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2fs9 s GLU 70 N 3.31 2.00 0.26 -0.14 2.12 -1.26 -5.02 118.70 119.97 2fs9 s GLU 70 Ca 1.04 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 55.80 2fs9 s GLU 70 Cb -1.38 -1.63 0.34 0.00 0.26 0.00 0.00 34.13 31.72 2fs9 s GLU 70 CO 0.77 0.12 1.73 0.37 -0.54 0.00 0.00 175.26 177.70 2fs9 h GLN 71 N 6.73 0.70 -3.92 4.30 5.75 -1.93 -3.42 115.11 123.31 2fs9 h GLN 71 Ca -0.29 -0.22 -0.44 0.00 -0.15 0.00 0.00 58.65 57.55 2fs9 h GLN 71 Cb 1.19 -0.06 -0.36 0.00 1.07 0.00 0.00 27.48 29.32 2fs9 h GLN 71 CO 0.47 0.79 -0.78 -1.01 -2.65 0.00 0.00 178.83 175.65 2fs9 s HIS 72 N -4.79 0.85 0.34 3.99 3.76 -1.26 -1.89 115.29 116.29 2fs9 s HIS 72 Ca -0.09 -0.28 -0.28 0.00 -0.15 0.00 0.00 55.06 54.26 2fs9 s HIS 72 Cb 0.14 -0.83 -0.12 0.00 1.11 0.00 0.00 32.58 32.88 2fs9 s HIS 72 CO 0.81 -0.31 1.33 1.28 -0.85 0.00 0.00 174.74 177.00 2fs9 n LEU 73 N 4.69 3.70 0.00 0.89 4.77 -0.22 -2.85 117.00 127.98 2fs9 n LEU 73 Ca -0.15 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2fs9 n LEU 73 Cb 0.50 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2fs9 n LEU 73 CO 0.16 -0.39 0.00 -1.22 -1.33 0.00 0.00 177.39 174.62 2fs9 n TYR 74 N 0.47 0.00 -0.05 -1.77 4.01 -1.26 -4.80 117.16 113.77 2fs9 n TYR 74 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 2fs9 n TYR 74 Cb 0.36 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.95 -0.40 -0.72 -1.99 -1.88 -3.32 116.97 109.61 2fs9 h TYR 75 Ca 0.00 -0.33 -0.29 0.00 2.00 0.00 0.00 58.73 60.10 2fs9 h TYR 75 Cb 0.00 -0.18 -0.24 0.00 2.00 0.00 0.00 36.73 38.31 2fs9 h TYR 75 CO 0.00 1.13 -0.70 1.04 -0.00 0.00 0.00 178.16 179.63 2fs9 n GLN 79 N -3.99 2.57 -1.51 4.88 1.13 -1.26 -5.08 117.38 114.12 2fs9 n GLN 79 Ca -0.04 -3.71 -0.49 0.00 -1.94 0.00 0.00 57.00 50.82 2fs9 n GLN 79 Cb 0.62 -1.90 -0.04 0.00 0.11 0.00 0.00 30.24 29.02 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 -0.84 0.35 -3.02 1.08 9.92 -1.25 -4.93 116.55 117.86 2fs9 n ASP 80 Ca 0.31 1.15 -0.16 0.00 -0.53 0.00 0.00 54.79 55.56 2fs9 n ASP 80 Cb 0.85 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2fs9 n ASP 80 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2fs9 n GLN 81 N 1.32 0.91 -1.68 -1.24 -0.06 -1.26 -5.13 117.38 110.23 2fs9 n GLN 81 Ca 0.16 -2.79 -0.45 0.00 -2.00 0.00 0.00 57.00 51.92 2fs9 n GLN 81 Cb 0.23 -1.41 -0.03 0.00 -4.06 0.00 0.00 30.24 24.97 2fs9 n GLN 81 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2fs9 n LEU 82 N 0.69 3.35 -4.50 1.69 4.77 -1.26 -4.68 117.00 117.06 2fs9 n LEU 82 Ca 0.18 1.11 -0.33 0.00 -0.03 0.00 0.00 56.01 56.93 2fs9 n LEU 82 Cb 0.64 -1.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.14 2fs9 n LEU 82 CO 0.14 -0.25 -0.40 -0.76 -1.33 0.00 0.00 177.39 174.79 2fs9 s LEU 83 N 0.48 3.01 0.63 2.23 1.43 0.13 -4.91 118.68 121.68 2fs9 s LEU 83 Ca 0.73 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 2fs9 s LEU 83 Cb -0.63 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2fs9 s LEU 83 CO 0.43 0.27 1.04 -2.16 0.23 0.00 0.00 176.35 176.16 2fs9 s PRO 84 N -0.28 3.36 -0.06 1.29 0.04 -1.26 0.12 135.00 138.21 2fs9 s PRO 84 Ca 0.03 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.98 2fs9 s PRO 84 Cb -0.13 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2fs9 s PRO 84 CO 0.03 -0.76 -0.05 0.08 0.04 0.00 0.00 177.00 176.33 2fs9 s VAL 85 N -3.00 3.81 -0.17 -0.36 1.01 -1.26 -2.56 120.40 117.87 2fs9 s VAL 85 Ca 0.57 -0.49 0.17 0.00 0.00 0.00 0.00 61.98 62.24 2fs9 s VAL 85 Cb -0.13 -2.58 -0.25 0.00 0.00 0.00 0.00 36.38 33.42 2fs9 s VAL 85 CO 0.50 0.56 0.17 -1.54 0.00 0.00 0.00 175.10 174.79 2fs9 n SER 86 N 2.07 0.13 -3.69 3.32 3.41 0.27 -4.75 113.62 114.37 2fs9 n SER 86 Ca -0.17 0.06 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 2fs9 n SER 86 Cb 0.53 0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 65.26 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 -2.53 0.62 -0.19 4.33 3.52 -1.07 -4.98 118.95 118.65 2fs9 s ARG 87 Ca -0.09 0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 56.14 2fs9 s ARG 87 Cb 0.06 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.75 2fs9 s ARG 87 CO 0.83 -0.09 -0.07 0.42 -0.81 0.00 0.00 175.30 175.58 2fs9 s ILE 88 N 0.14 3.27 -0.30 4.11 1.01 -1.26 -0.69 121.20 127.47 2fs9 s ILE 88 Ca -0.01 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2fs9 s ILE 88 Cb -0.04 -2.45 0.08 0.00 0.01 0.00 0.00 42.46 40.07 2fs9 s ILE 88 CO 0.01 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 174.77 2fs9 s ILE 89 N 1.09 2.12 -0.21 2.92 1.01 0.75 -4.98 121.20 123.90 2fs9 s ILE 89 Ca 0.01 -1.98 -0.10 0.00 0.00 0.00 0.00 60.65 58.58 2fs9 s ILE 89 Cb -0.15 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2fs9 s ILE 89 CO -0.01 -0.37 0.15 -0.69 0.00 0.00 0.00 174.94 174.02 2fs9 s VAL 90 N 1.04 5.39 0.11 2.92 1.01 -1.26 0.50 120.40 130.11 2fs9 s VAL 90 Ca 0.03 0.21 -0.35 0.00 0.00 0.00 0.00 61.98 61.87 2fs9 s VAL 90 Cb -0.19 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 2fs9 s VAL 90 CO -0.08 0.41 1.26 1.57 0.00 0.00 0.00 175.10 178.27 2fs9 n HIS 91 N 3.76 1.40 0.30 5.22 -0.00 -1.10 -4.82 115.22 119.97 2fs9 n HIS 91 Ca -0.15 0.67 0.19 0.00 0.46 0.00 0.00 57.72 58.88 2fs9 n HIS 91 Cb 0.52 -2.30 0.91 0.00 -0.12 0.00 0.00 29.99 29.00 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 4.07 0.00 -0.06 1.57 0.13 -1.93 -2.59 132.00 133.19 2fs9 h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2fs9 h PRO 92 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2fs9 h PRO 92 CO 0.74 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 179.58 2fs9 n GLN 93 N -3.17 1.46 -3.17 0.86 6.02 -1.26 -4.88 117.38 113.24 2fs9 n GLN 93 Ca -0.01 -0.68 -0.39 0.00 -0.01 0.00 0.00 57.00 55.91 2fs9 n GLN 93 Cb 0.20 -1.43 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 2fs9 n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2fs9 s PHE 94 N -1.93 3.80 0.00 1.08 5.36 -0.98 -4.77 117.98 120.53 2fs9 s PHE 94 Ca 0.36 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 2fs9 s PHE 94 Cb 0.19 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 2fs9 s PHE 94 CO 0.30 0.49 0.00 0.98 -1.46 0.00 0.00 175.22 175.53 2fs9 n TYR 95 N 2.01 -0.01 -3.85 10.12 9.36 -1.26 -4.90 117.16 128.62 2fs9 n TYR 95 Ca -0.08 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.03 2fs9 n TYR 95 Cb 0.50 0.23 -0.09 0.00 -0.63 0.00 0.00 39.34 39.35 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 -1.46 0.09 0.33 2.97 -4.23 -1.26 -4.54 115.64 107.54 2fs9 s THR 96 Ca 0.00 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 2fs9 s THR 96 Cb 0.00 -0.54 0.30 0.00 1.34 0.00 0.00 72.50 73.59 2fs9 s THR 96 CO 0.00 -0.39 1.90 0.00 -0.54 0.00 0.00 174.62 175.60 2fs9 h ALA 97 N 4.07 1.67 -0.09 3.99 0.00 -1.97 -1.93 119.26 125.00 2fs9 h ALA 97 Ca -0.31 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2fs9 h ALA 97 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2fs9 h ALA 97 CO 0.42 0.16 -0.40 1.96 0.00 0.00 0.00 179.25 181.39 2fs9 h GLN 98 N 0.85 0.19 -0.22 0.00 7.50 -1.97 -3.05 115.11 118.41 2fs9 h GLN 98 Ca 0.40 -0.09 -0.20 0.00 0.50 0.00 0.00 58.65 59.26 2fs9 h GLN 98 Cb 0.41 -0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.94 2fs9 h GLN 98 CO -0.16 0.57 -0.63 0.82 -1.50 0.00 0.00 178.83 177.92 2fs9 h ILE 99 N 0.16 1.28 0.00 2.54 2.04 -1.76 -3.46 117.51 118.32 2fs9 h ILE 99 Ca 0.02 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.05 2fs9 h ILE 99 Cb 0.78 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2fs9 h ILE 99 CO 0.06 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.41 2fs9 n GLY 100 N 0.53 0.82 4.05 5.37 0.00 -0.95 -5.01 105.19 110.00 2fs9 n GLY 100 Ca -0.06 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.66 -2.87 4.61 0.00 -1.26 -4.47 120.51 113.86 2fs9 n ALA 101 Ca 0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 2fs9 n ALA 101 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 -2.85 5.24 -3.70 0.00 2.03 -1.26 -4.33 116.55 111.69 2fs9 n ASP 102 Ca -0.13 -3.01 -0.14 0.00 0.52 0.00 0.00 54.79 52.02 2fs9 n ASP 102 Cb 0.60 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.38 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 1.09 0.02 0.14 5.18 2.07 -1.26 -3.91 121.20 124.53 2fs9 s ILE 103 Ca 0.41 -0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 59.29 2fs9 s ILE 103 Cb -0.01 -0.70 0.04 0.00 0.13 0.00 0.00 42.46 41.92 2fs9 s ILE 103 CO -0.00 -0.11 0.44 0.00 -1.91 0.00 0.00 174.94 173.36 2fs9 s ALA 104 N -0.69 -0.98 -0.00 1.50 0.00 -0.59 -2.73 121.76 118.28 2fs9 s ALA 104 Ca -0.08 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 51.92 2fs9 s ALA 104 Cb -0.03 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 2fs9 s ALA 104 CO 0.04 -0.68 -0.25 -0.51 0.00 0.00 0.00 175.76 174.35 2fs9 s LEU 105 N -2.81 2.08 -0.16 0.00 1.43 0.18 -1.39 118.68 118.00 2fs9 s LEU 105 Ca 0.04 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2fs9 s LEU 105 Cb 0.01 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.96 2fs9 s LEU 105 CO -0.10 0.29 -0.20 -0.76 0.23 0.00 0.00 176.35 175.81 2fs9 s LEU 106 N -0.77 2.16 -0.27 1.79 1.43 0.11 -0.18 118.68 122.95 2fs9 s LEU 106 Ca 0.10 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 2fs9 s LEU 106 Cb -0.10 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2fs9 s LEU 106 CO -0.00 0.03 0.24 -0.70 0.23 0.00 0.00 176.35 176.15 2fs9 s GLU 107 N 1.10 4.00 0.54 1.70 2.12 0.13 0.06 118.70 128.35 2fs9 s GLU 107 Ca 0.00 -0.20 -0.17 0.00 0.36 0.00 0.00 54.97 54.97 2fs9 s GLU 107 Cb -0.14 -3.63 -0.06 0.00 0.26 0.00 0.00 34.13 30.55 2fs9 s GLU 107 CO -0.08 -0.16 1.02 -0.51 -0.54 0.00 0.00 175.26 174.99 2fs9 s LEU 108 N 1.70 3.60 0.40 2.70 1.43 0.22 0.95 118.68 129.68 2fs9 s LEU 108 Ca 0.10 1.73 0.10 0.00 -1.03 0.00 0.00 54.13 55.03 2fs9 s LEU 108 Cb -0.15 -4.53 0.81 0.00 0.03 0.00 0.00 46.19 42.35 2fs9 s LEU 108 CO 0.10 -0.87 1.93 -0.08 0.23 0.00 0.00 176.35 177.66 2fs9 h GLU 109 N 0.81 0.23 -4.42 1.70 4.57 -1.79 -3.41 114.58 112.27 2fs9 h GLU 109 Ca -0.47 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 57.46 2fs9 h GLU 109 Cb 1.21 -0.03 -0.18 0.00 -0.16 0.00 0.00 28.75 29.59 2fs9 h GLU 109 CO 0.59 0.35 -0.70 -1.21 -1.18 0.00 0.00 179.01 176.86 2fs9 s GLU 110 N -4.76 0.61 0.38 1.92 0.41 -1.26 -5.01 118.70 110.99 2fs9 s GLU 110 Ca -0.05 -1.04 -0.24 0.00 -0.41 0.00 0.00 54.97 53.23 2fs9 s GLU 110 Cb 0.16 -0.08 -0.10 0.00 -1.78 0.00 0.00 34.13 32.33 2fs9 s GLU 110 CO 0.73 -0.03 1.00 -1.25 -0.49 0.00 0.00 175.26 175.22 2fs9 s PRO 111 N -2.87 4.33 0.28 0.39 0.04 -1.26 -4.69 135.00 131.22 2fs9 s PRO 111 Ca 0.00 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2fs9 s PRO 111 Cb -0.01 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 2fs9 s PRO 111 CO -0.04 0.03 0.75 0.08 0.04 0.00 0.00 177.00 177.86 2fs9 s VAL 112 N -1.72 4.58 -0.62 -0.36 1.01 0.01 -4.96 120.40 118.34 2fs9 s VAL 112 Ca 0.56 1.20 -0.24 0.00 0.00 0.00 0.00 61.98 63.49 2fs9 s VAL 112 Cb -0.19 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2fs9 s VAL 112 CO 0.24 0.02 1.02 -0.54 0.00 0.00 0.00 175.10 175.85 2fs9 s LYS 113 N -2.43 3.24 0.71 2.72 -0.14 -1.26 -4.84 119.74 117.74 2fs9 s LYS 113 Ca 0.49 -0.42 -0.16 0.00 -1.36 0.00 0.00 55.97 54.52 2fs9 s LYS 113 Cb -0.14 -4.13 0.03 0.00 -1.68 0.00 0.00 37.83 31.91 2fs9 s LYS 113 CO 0.19 -1.72 1.22 0.08 -0.76 0.00 0.00 175.35 174.36 2fs9 s VAL 114 N 4.35 2.32 0.03 3.17 1.01 -1.26 -4.96 120.40 125.05 2fs9 s VAL 114 Ca 0.29 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2fs9 s VAL 114 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2fs9 s VAL 114 CO 0.16 -0.08 0.06 -1.54 0.00 0.00 0.00 175.10 173.70 2fs9 n SER 115 N -2.54 -0.17 0.08 3.32 3.41 -0.09 -5.00 113.62 112.64 2fs9 n SER 115 Ca 0.14 -1.12 -0.08 0.00 -0.26 0.00 0.00 58.87 57.55 2fs9 n SER 115 Cb 0.50 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.69 2fs9 n SER 115 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2fs9 h SER 116 N 0.15 0.15 0.71 4.04 0.02 -2.01 -3.29 113.55 113.33 2fs9 h SER 116 Ca -0.02 -0.14 -0.26 0.00 -0.84 0.00 0.00 61.79 60.53 2fs9 h SER 116 Cb 0.09 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2fs9 h SER 116 CO 0.03 1.00 -1.24 -0.74 -1.14 0.00 0.00 176.83 174.75 2fs9 h HIS 117 N 0.05 0.29 -3.18 3.45 -0.00 -1.94 -3.44 115.15 110.39 2fs9 h HIS 117 Ca -0.04 -0.21 -0.49 0.00 -0.00 0.00 0.00 60.37 59.63 2fs9 h HIS 117 Cb 1.61 -0.01 -0.40 0.00 -0.00 0.00 0.00 27.41 28.61 2fs9 h HIS 117 CO 0.02 1.19 -0.76 0.54 -0.00 0.00 0.00 177.93 178.92 2fs9 s VAL 118 N -2.66 0.25 0.21 5.26 0.11 -1.24 -4.37 120.40 117.97 2fs9 s VAL 118 Ca -0.03 -0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 58.47 2fs9 s VAL 118 Cb 0.08 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2fs9 s VAL 118 CO 0.85 -0.23 0.56 -1.38 -3.33 0.00 0.00 175.10 171.58 2fs9 s HIS 119 N 1.98 -0.12 0.85 1.54 -0.00 -0.97 -0.91 115.29 117.66 2fs9 s HIS 119 Ca 0.00 -0.24 -0.11 0.00 -0.00 0.00 0.00 55.06 54.72 2fs9 s HIS 119 Cb -0.16 0.45 0.11 0.00 -0.00 0.00 0.00 32.58 32.97 2fs9 s HIS 119 CO -0.08 -0.98 1.14 0.95 -0.00 0.00 0.00 174.74 175.76 2fs9 s THR 120 N -3.89 2.47 0.07 -5.38 -4.23 -1.26 -3.17 115.64 100.26 2fs9 s THR 120 Ca 0.10 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 2fs9 s THR 120 Cb -0.02 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2fs9 s THR 120 CO -0.01 -0.19 0.08 0.54 -0.54 0.00 0.00 174.62 174.50 2fs9 s VAL 121 N -2.64 4.57 -0.04 2.29 0.11 -0.39 -4.84 120.40 119.46 2fs9 s VAL 121 Ca 0.66 -0.73 -0.24 0.00 -2.93 0.00 0.00 61.98 58.74 2fs9 s VAL 121 Cb -0.22 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 2fs9 s VAL 121 CO 0.56 0.14 0.72 -0.89 -3.33 0.00 0.00 175.10 172.29 2fs9 s THR 122 N -1.38 4.97 0.35 5.04 2.01 -1.22 -4.66 115.64 120.76 2fs9 s THR 122 Ca 0.29 1.49 -0.25 0.00 0.31 0.00 0.00 61.69 63.53 2fs9 s THR 122 Cb -0.12 -4.06 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 2fs9 s THR 122 CO 0.22 0.28 0.95 -0.76 -0.69 0.00 0.00 174.62 174.62 2fs9 s LEU 123 N 0.55 4.23 0.66 4.42 1.02 -1.26 -1.58 118.68 126.72 2fs9 s LEU 123 Ca 0.38 1.82 -0.12 0.00 0.02 0.00 0.00 54.13 56.23 2fs9 s LEU 123 Cb -0.18 -4.15 -0.01 0.00 0.02 0.00 0.00 46.19 41.87 2fs9 s LEU 123 CO 0.19 -0.16 1.05 -2.16 0.02 0.00 0.00 176.35 175.29 2fs9 s PRO 124 N -2.35 3.12 0.49 1.29 0.04 -1.26 -4.85 135.00 131.49 2fs9 s PRO 124 Ca 0.53 0.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.35 2fs9 s PRO 124 Cb -0.17 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2fs9 s PRO 124 CO 0.22 -0.96 1.01 -1.25 0.04 0.00 0.00 177.00 176.06 2fs9 s PRO 125 N -4.88 3.86 0.66 0.56 0.04 -1.26 -4.91 135.00 129.07 2fs9 s PRO 125 Ca 0.58 1.20 0.21 0.00 0.04 0.00 0.00 61.00 63.04 2fs9 s PRO 125 Cb -0.14 -2.11 1.11 0.00 0.04 0.00 0.00 34.50 33.40 2fs9 s PRO 125 CO 0.51 -0.36 1.62 0.00 0.04 0.00 0.00 177.00 178.81 2fs9 h ALA 126 N 1.36 1.66 0.00 8.56 0.00 -1.95 -0.41 119.26 128.48 2fs9 h ALA 126 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fs9 h ALA 126 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2fs9 h ALA 126 CO 0.60 -0.61 -1.35 -1.13 0.00 0.00 0.00 179.25 176.75 2fs9 n SER 127 N -2.85 0.66 -4.60 0.00 3.41 -1.26 -4.97 113.62 104.02 2fs9 n SER 127 Ca 0.00 -0.60 -0.48 0.00 -0.26 0.00 0.00 58.87 57.53 2fs9 n SER 127 Cb 0.63 1.38 -0.04 0.00 -0.26 0.00 0.00 64.21 65.92 2fs9 n SER 127 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2fs9 n GLU 128 N -1.77 1.33 -3.46 4.33 4.07 -0.17 -4.93 120.64 120.04 2fs9 n GLU 128 Ca 0.01 0.47 -0.27 0.00 -0.06 0.00 0.00 57.16 57.31 2fs9 n GLU 128 Cb 0.41 -2.01 -0.10 0.00 -0.06 0.00 0.00 31.44 29.67 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 1.65 -0.57 -1.53 6.31 -2.24 -1.26 -4.96 114.28 111.68 2fs9 n THR 129 Ca 0.15 -3.78 -0.35 0.00 -2.27 0.00 0.00 64.05 57.80 2fs9 n THR 129 Cb 0.26 -1.79 -0.10 0.00 -2.10 0.00 0.00 70.33 66.60 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 2.50 0.93 -2.27 4.78 3.72 -1.26 -4.89 117.46 120.97 2fs9 n PHE 130 Ca 0.27 0.20 -0.35 0.00 -0.05 0.00 0.00 57.45 57.52 2fs9 n PHE 130 Cb 0.46 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 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 8.52 3.38 0.20 -1.08 0.04 -1.26 -4.96 135.00 139.84 2fs9 s PRO 131 Ca 1.16 1.58 -0.33 0.00 0.04 0.00 0.00 61.00 63.45 2fs9 s PRO 131 Cb -0.66 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 31.73 2fs9 s PRO 131 CO 0.36 -0.82 1.51 -0.35 0.04 0.00 0.00 177.00 177.74 2fs9 n PRO 132 N -1.31 2.12 0.00 0.56 -0.04 -1.26 -2.28 135.00 132.78 2fs9 n PRO 132 Ca 0.11 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2fs9 n PRO 132 Cb 0.51 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2fs9 n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fs9 n GLY 133 N 2.84 1.84 3.68 0.55 0.00 -0.41 -4.98 105.19 108.71 2fs9 n GLY 133 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.68 2fs9 n GLY 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2fs9 n MET 134 N -0.13 2.06 -1.85 1.61 1.56 -0.97 -4.61 117.12 114.78 2fs9 n MET 134 Ca 0.00 0.75 -0.42 0.00 -0.27 0.00 0.00 57.70 57.76 2fs9 n MET 134 Cb 0.00 -2.56 -0.03 0.00 2.15 0.00 0.00 33.22 32.79 2fs9 n MET 134 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2fs9 s PRO 135 N 3.04 4.17 0.15 2.12 0.02 -1.26 -3.37 135.00 139.86 2fs9 s PRO 135 Ca 0.89 2.41 0.03 0.00 0.02 0.00 0.00 61.00 64.35 2fs9 s PRO 135 Cb -0.73 -3.82 -0.04 0.00 0.02 0.00 0.00 34.50 29.93 2fs9 s PRO 135 CO 0.49 -0.83 -0.07 0.00 -0.33 0.00 0.00 177.00 176.26 2fs9 s TRP 137 N -3.46 1.81 0.03 0.00 0.52 0.87 0.07 118.94 118.78 2fs9 s TRP 137 Ca 0.18 -0.37 0.08 0.00 0.02 0.00 0.00 56.10 56.00 2fs9 s TRP 137 Cb 0.04 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 2fs9 s TRP 137 CO 0.00 0.08 -0.22 0.54 0.02 0.00 0.00 176.95 177.37 2fs9 s VAL 138 N -0.77 1.80 0.09 4.03 0.11 -0.81 -0.27 120.40 124.59 2fs9 s VAL 138 Ca 0.07 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 2fs9 s VAL 138 Cb -0.09 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2fs9 s VAL 138 CO 0.01 0.31 -0.03 0.42 -3.33 0.00 0.00 175.10 172.48 2fs9 s THR 139 N -0.74 0.46 -5.00 5.04 -4.23 -1.18 -2.07 115.64 107.92 2fs9 s THR 139 Ca 0.09 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2fs9 s THR 139 Cb -0.09 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2fs9 s THR 139 CO 0.01 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 2fs9 n GLY 140 N -0.02 -2.02 1.08 3.99 0.00 -0.89 -4.49 105.19 102.84 2fs9 n GLY 140 Ca -0.11 -1.43 0.01 0.00 0.00 0.00 0.00 46.02 44.49 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 0.38 1.12 -1.54 1.61 8.01 -1.26 -1.39 117.44 124.38 2fs9 n TRP 141 Ca 0.00 -1.25 -0.30 0.00 -1.31 0.00 0.00 57.50 54.64 2fs9 n TRP 141 Cb 0.00 -0.43 0.23 0.00 -2.01 0.00 0.00 31.31 29.10 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 -2.16 1.72 0.60 6.99 0.00 -1.25 -4.70 107.32 108.52 2fs9 s GLY 142 Ca 0.44 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.76 2fs9 s GLY 142 CO 0.05 -0.33 0.89 1.22 0.00 0.00 0.00 173.10 174.93 2fs9 n ASP 143 N -4.34 0.44 -0.45 1.64 8.00 0.59 -2.27 116.55 120.15 2fs9 n ASP 143 Ca 0.16 0.78 0.14 0.00 0.71 0.00 0.00 54.79 56.58 2fs9 n ASP 143 Cb 0.59 -1.35 0.48 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.78 0.00 -3.62 2.53 0.24 -0.19 0.15 118.33 115.66 2fs9 n VAL 144 Ca 0.14 -0.24 -0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2fs9 n VAL 144 Cb 0.48 0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 33.35 2fs9 n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2fs9 s ASP 145 N -2.09 -0.00 -0.32 -1.34 3.68 -1.21 -4.37 116.67 111.02 2fs9 s ASP 145 Ca 0.35 -0.00 -0.41 0.00 2.13 0.00 0.00 52.55 54.62 2fs9 s ASP 145 Cb 0.21 0.01 -0.16 0.00 -1.45 0.00 0.00 42.92 41.52 2fs9 s ASP 145 CO 0.37 -0.01 1.77 0.59 0.13 0.00 0.00 175.17 178.02 2fs9 n ASN 146 N -0.16 2.22 -1.48 -0.34 4.13 -1.26 0.50 115.26 118.87 2fs9 n ASN 146 Ca 0.01 1.04 -0.19 0.00 1.68 0.00 0.00 54.58 57.12 2fs9 n ASN 146 Cb 0.59 -1.11 -0.08 0.00 -1.54 0.00 0.00 39.78 37.63 2fs9 n ASN 146 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2fs9 n ASP 147 N 5.57 -5.29 -4.02 6.41 8.00 -1.26 -4.94 116.55 121.02 2fs9 n ASP 147 Ca 0.29 0.45 -0.32 0.00 0.71 0.00 0.00 54.79 55.92 2fs9 n ASP 147 Cb 0.11 -4.45 -0.14 0.00 -0.02 0.00 0.00 41.12 36.62 2fs9 n ASP 147 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2fs9 s GLU 149 N -3.66 1.78 0.82 -1.24 2.12 0.18 -5.10 118.70 113.61 2fs9 s GLU 149 Ca 0.00 -2.12 -0.12 0.00 0.36 0.00 0.00 54.97 53.09 2fs9 s GLU 149 Cb 0.00 -3.34 0.09 0.00 0.26 0.00 0.00 34.13 31.14 2fs9 s GLU 149 CO 0.00 -1.03 1.18 1.03 -0.54 0.00 0.00 175.26 175.91 2fs9 s ARG 150 N 0.55 1.59 0.00 4.30 3.00 -1.26 -1.02 118.95 126.11 2fs9 s ARG 150 Ca 0.13 1.66 0.00 0.00 0.00 0.00 0.00 55.73 57.51 2fs9 s ARG 150 Cb -0.22 -1.78 0.00 0.00 0.00 0.00 0.00 34.95 32.95 2fs9 s ARG 150 CO -0.05 -2.23 0.00 -0.11 0.00 0.00 0.00 175.30 172.91 2fs9 n LEU 151 N -3.47 0.00 -0.98 2.53 7.94 -1.26 -4.46 117.00 117.30 2fs9 n LEU 151 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2fs9 n LEU 151 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2fs9 n LEU 151 CO 0.49 -0.22 0.00 -0.81 -1.11 0.00 0.00 177.39 175.73 2fs9 n PRO 152 N -0.36 0.00 -3.28 1.96 -0.04 -1.26 -5.03 135.00 127.00 2fs9 n PRO 152 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2fs9 n PRO 152 Cb 0.00 -0.46 0.03 0.00 -0.04 0.00 0.00 33.50 33.03 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 0.26 -2.57 -2.69 0.54 3.72 -1.26 -3.82 117.46 111.64 2fs9 n PHE 153 Ca 0.00 0.91 -0.37 0.00 -0.05 0.00 0.00 57.45 57.94 2fs9 n PHE 153 Cb 0.00 -3.91 -0.06 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 -4.10 4.48 0.08 -1.08 0.04 -1.26 -1.05 135.00 132.11 2fs9 s PRO 154 Ca 0.23 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2fs9 s PRO 154 Cb -0.05 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 2fs9 s PRO 154 CO 0.78 0.17 1.55 -1.17 0.04 0.00 0.00 177.00 178.36 2fs9 s LEU 155 N -2.15 4.36 0.32 -3.56 2.96 -0.79 -4.79 118.68 115.04 2fs9 s LEU 155 Ca 0.52 2.41 0.07 0.00 -0.22 0.00 0.00 54.13 56.90 2fs9 s LEU 155 Cb -0.21 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 2fs9 s LEU 155 CO 0.26 -0.81 0.36 -0.54 -1.32 0.00 0.00 176.35 174.30 2fs9 s LYS 156 N 2.12 2.94 0.01 1.98 1.02 -0.48 -1.03 119.74 126.30 2fs9 s LYS 156 Ca 0.70 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 2fs9 s LYS 156 Cb -0.38 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2fs9 s LYS 156 CO 0.31 0.12 0.20 1.14 -0.92 0.00 0.00 175.35 176.20 2fs9 s GLN 157 N -4.06 0.60 -0.24 1.68 -2.07 -0.50 -2.10 119.66 112.98 2fs9 s GLN 157 Ca 0.42 -0.42 -0.18 0.00 -1.82 0.00 0.00 55.36 53.35 2fs9 s GLN 157 Cb -0.08 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 2fs9 s GLN 157 CO 0.28 -0.16 0.61 0.54 -1.32 0.00 0.00 175.29 175.24 2fs9 s VAL 158 N -1.76 -0.00 -0.25 3.63 0.11 -0.88 -1.99 120.40 119.26 2fs9 s VAL 158 Ca -0.11 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 2fs9 s VAL 158 Cb -0.05 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2fs9 s VAL 158 CO 0.01 0.01 0.95 -0.75 -3.33 0.00 0.00 175.10 171.98 2fs9 s LYS 159 N 0.84 4.18 -0.03 1.54 2.20 -1.26 -1.92 119.74 125.31 2fs9 s LYS 159 Ca -0.04 1.11 0.08 0.00 -0.36 0.00 0.00 55.97 56.75 2fs9 s LYS 159 Cb -0.05 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2fs9 s LYS 159 CO -0.07 -0.63 -0.25 0.14 -0.36 0.00 0.00 175.35 174.18 2fs9 s VAL 160 N 3.10 2.01 0.00 4.02 -7.23 0.11 -4.94 120.40 117.48 2fs9 s VAL 160 Ca 0.40 -1.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.22 2fs9 s VAL 160 Cb -0.15 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2fs9 s VAL 160 CO 0.08 0.57 0.84 -2.16 -0.31 0.00 0.00 175.10 174.12 2fs9 s PRO 161 N -0.52 4.52 0.51 4.82 0.04 -1.26 -2.30 135.00 140.80 2fs9 s PRO 161 Ca 0.08 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 2fs9 s PRO 161 Cb -0.10 -3.43 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 2fs9 s PRO 161 CO -0.00 0.09 1.07 0.42 0.04 0.00 0.00 177.00 178.61 2fs9 s ILE 162 N 0.60 3.59 0.03 0.56 1.01 -1.22 -1.79 121.20 123.98 2fs9 s ILE 162 Ca 0.44 0.98 0.03 0.00 0.00 0.00 0.00 60.65 62.10 2fs9 s ILE 162 Cb -0.20 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2fs9 s ILE 162 CO 0.24 -0.22 -0.09 -0.04 0.00 0.00 0.00 174.94 174.83 2fs9 s MET 163 N -3.27 0.63 0.23 2.79 -1.94 -0.00 -1.28 119.30 116.45 2fs9 s MET 163 Ca 0.69 -0.58 -0.32 0.00 -1.71 0.00 0.00 55.69 53.78 2fs9 s MET 163 Cb -0.19 -0.54 -0.14 0.00 2.01 0.00 0.00 34.83 35.97 2fs9 s MET 163 CO 0.23 0.13 1.37 -1.91 -0.01 0.00 0.00 175.02 174.83 2fs9 n GLU 164 N 2.08 1.90 -0.23 2.03 2.13 -1.26 -4.39 120.64 122.89 2fs9 n GLU 164 Ca -0.18 0.68 -0.02 0.00 0.66 0.00 0.00 57.16 58.30 2fs9 n GLU 164 Cb 0.56 -2.31 0.05 0.00 0.27 0.00 0.00 31.44 30.01 2fs9 n GLU 164 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2fs9 h ASN 165 N 4.12 -0.88 -0.54 4.31 -1.24 -1.92 -0.01 115.58 119.42 2fs9 h ASN 165 Ca -0.45 0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2fs9 h ASN 165 Cb 1.29 0.50 -0.03 0.00 0.73 0.00 0.00 38.32 40.81 2fs9 h ASN 165 CO 0.75 -0.26 0.35 -0.74 -1.29 0.00 0.00 177.43 176.23 2fs9 h HIS 166 N -0.06 0.69 -0.31 0.67 2.76 -1.92 -1.33 115.15 115.64 2fs9 h HIS 166 Ca 0.30 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 2fs9 h HIS 166 Cb 0.54 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2fs9 h HIS 166 CO -0.61 0.44 -0.16 0.82 -1.30 0.00 0.00 177.93 177.13 2fs9 h ILE 167 N 0.74 1.29 -0.29 6.26 1.08 -1.39 -0.67 117.51 124.54 2fs9 h ILE 167 Ca 0.20 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 2fs9 h ILE 167 Cb -0.07 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2fs9 h ILE 167 CO -0.04 0.41 0.16 0.00 -0.69 0.00 0.00 178.15 177.99 2fs9 h ASP 169 N 0.35 0.53 -0.21 0.00 3.58 -1.20 -1.19 116.42 118.28 2fs9 h ASP 169 Ca 0.10 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.57 2fs9 h ASP 169 Cb 0.06 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2fs9 h ASP 169 CO -0.02 0.37 0.09 0.00 -2.88 0.00 0.00 179.24 176.81 2fs9 h ALA 170 N 1.24 0.24 -0.64 -0.78 0.00 -0.67 -2.39 119.26 116.26 2fs9 h ALA 170 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2fs9 h ALA 170 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2fs9 h ALA 170 CO -0.09 -0.33 0.38 0.87 0.00 0.00 0.00 179.25 180.08 2fs9 h LYS 171 N 0.20 0.86 0.00 0.00 1.57 -0.43 -0.29 116.57 118.47 2fs9 h LYS 171 Ca 0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2fs9 h LYS 171 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2fs9 h LYS 171 CO -0.07 0.61 0.00 1.88 -0.57 0.00 0.00 179.45 181.29 2fs9 h TYR 172 N 0.88 0.00 0.00 -1.35 -1.99 -0.71 -1.60 116.97 112.20 2fs9 h TYR 172 Ca 0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.96 2fs9 h TYR 172 Cb -0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.70 2fs9 h TYR 172 CO 0.00 0.00 -0.78 0.45 -0.00 0.00 0.00 178.16 177.83 2fs9 h HIS 173 N 0.00 0.00 -2.95 4.88 3.86 -0.86 -3.43 115.15 116.65 2fs9 h HIS 173 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2fs9 h HIS 173 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2fs9 h HIS 173 CO 0.00 0.00 0.78 -0.51 0.86 0.00 0.00 177.93 179.06 2fs9 s LEU 173 N -4.95 4.33 -0.40 2.43 1.43 -0.60 -2.01 118.68 118.91 2fs9 s LEU 173 Ca 0.03 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2fs9 s LEU 173 Cb 0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2fs9 s LEU 173 CO 0.75 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2fs9 n GLY 173 N 3.57 0.60 3.27 -3.19 0.00 -1.26 -5.03 105.19 103.15 2fs9 n GLY 173 Ca 0.12 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.16 1.61 -0.52 4.61 0.00 -0.85 -5.04 121.76 119.41 2fs9 s ALA 173 Ca 0.00 -1.51 0.24 0.00 0.00 0.00 0.00 51.96 50.69 2fs9 s ALA 173 Cb 0.00 -0.01 0.26 0.00 0.00 0.00 0.00 23.12 23.37 2fs9 s ALA 173 CO 0.00 -0.03 1.27 1.88 0.00 0.00 0.00 175.76 178.88 2fs9 h TYR 173 N 2.82 0.00 -2.30 0.00 0.05 -1.95 -3.47 116.97 112.13 2fs9 h TYR 173 Ca -0.37 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.82 2fs9 h TYR 173 Cb 1.20 0.00 0.06 0.00 1.01 0.00 0.00 36.73 39.00 2fs9 h TYR 173 CO 0.67 0.00 0.79 2.41 -1.05 0.00 0.00 178.16 180.98 2fs9 n THR 173 N -2.32 0.04 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.66 2fs9 n THR 173 Ca 0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2fs9 n THR 173 Cb 0.47 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 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 3.37 -3.27 0.64 3.41 0.00 -1.26 -4.91 105.19 103.16 2fs9 n GLY 173 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2fs9 n GLY 173 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fs9 n ASP 173 N 0.00 0.00 -4.56 1.61 5.75 -1.26 -4.76 116.55 113.33 2fs9 n ASP 173 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 2fs9 n ASP 173 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 2fs9 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2fs9 s VAL 173 N 0.00 5.03 0.12 2.12 1.01 -1.26 -5.02 120.40 122.40 2fs9 s VAL 173 Ca 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.05 2fs9 s VAL 173 Cb 0.00 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 2fs9 s VAL 173 CO 0.00 -0.17 1.66 -0.13 0.00 0.00 0.00 175.10 176.45 2fs9 s ARG 174 N 2.36 4.19 -0.15 2.72 3.00 -1.26 -4.90 118.95 124.91 2fs9 s ARG 174 Ca 0.19 2.41 -0.08 0.00 0.00 0.00 0.00 55.73 58.25 2fs9 s ARG 174 Cb -0.15 -3.40 -0.07 0.00 0.00 0.00 0.00 34.95 31.33 2fs9 s ARG 174 CO 0.13 -0.71 -0.20 -0.89 0.00 0.00 0.00 175.30 173.63 2fs9 n ILE 175 N 4.40 0.86 -3.16 1.52 5.41 -1.26 -4.82 119.36 122.31 2fs9 n ILE 175 Ca 0.15 -0.20 -0.44 0.00 1.00 0.00 0.00 62.75 63.26 2fs9 n ILE 175 Cb 0.39 -1.72 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 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 -2.29 4.88 0.83 1.39 1.01 -1.26 -5.00 120.40 119.96 2fs9 s VAL 176 Ca -0.21 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2fs9 s VAL 176 Cb 0.08 -4.32 0.09 0.00 0.00 0.00 0.00 36.38 32.23 2fs9 s VAL 176 CO 0.27 -0.84 1.14 -0.13 0.00 0.00 0.00 175.10 175.54 2fs9 s ARG 177 N 2.59 1.80 0.58 2.72 0.52 -1.26 -4.78 118.95 121.12 2fs9 s ARG 177 Ca 0.14 0.29 0.36 0.00 -0.52 0.00 0.00 55.73 56.00 2fs9 s ARG 177 Cb -0.20 -1.92 1.77 0.00 0.52 0.00 0.00 34.95 35.13 2fs9 s ARG 177 CO 0.11 -1.74 2.15 -0.44 0.02 0.00 0.00 175.30 175.40 2fs9 h ASP 178 N -1.17 0.00 -0.38 0.23 3.32 -1.98 -2.02 116.42 114.42 2fs9 h ASP 178 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2fs9 h ASP 178 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2fs9 h ASP 178 CO 0.63 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.29 2fs9 n ASP 179 N -3.26 2.46 -4.48 6.45 5.75 -1.26 -4.85 116.55 117.36 2fs9 n ASP 179 Ca -0.01 -2.11 -0.28 0.00 -0.01 0.00 0.00 54.79 52.37 2fs9 n ASP 179 Cb 0.20 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.57 1.73 0.26 0.11 -1.94 -0.76 -1.28 119.30 115.84 2fs9 s MET 180 Ca 0.27 -1.30 0.10 0.00 -1.71 0.00 0.00 55.69 53.05 2fs9 s MET 180 Cb 0.16 -2.03 -0.05 0.00 2.01 0.00 0.00 34.83 34.92 2fs9 s MET 180 CO 0.16 0.45 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.29 2fs9 s LEU 181 N -2.40 2.58 -0.10 -0.03 0.20 0.28 -4.61 118.68 114.60 2fs9 s LEU 181 Ca 0.20 -1.06 -0.07 0.00 0.69 0.00 0.00 54.13 53.89 2fs9 s LEU 181 Cb -0.09 -0.90 0.04 0.00 -0.43 0.00 0.00 46.19 44.80 2fs9 s LEU 181 CO 0.11 -0.09 0.25 0.00 -0.29 0.00 0.00 176.35 176.33 2fs9 s ALA 183 N 0.76 -0.55 0.00 0.00 0.00 -0.86 -0.82 121.76 120.29 2fs9 s ALA 183 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2fs9 s ALA 183 Cb -0.06 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2fs9 s ALA 183 CO -0.05 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2fs9 n GLY 184 N 0.32 2.43 0.00 0.00 0.00 -0.74 -2.31 105.19 104.89 2fs9 n GLY 184 Ca -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.24 -4.72 115.26 113.95 2fs9 n ASN 185 Ca 0.00 -0.81 0.07 0.00 -0.44 0.00 0.00 54.58 53.40 2fs9 n ASN 185 Cb 0.00 0.00 0.39 0.00 -2.53 0.00 0.00 39.78 37.64 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 0.32 0.00 5.53 -2.24 -1.26 -3.10 114.28 113.53 2fs9 n THR 186 Ca 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2fs9 n THR 186 Cb 0.00 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.15 1.29 -4.46 -0.78 1.74 -1.26 -4.81 116.66 107.22 2fs9 n ARG 187 Ca 0.09 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.94 2fs9 n ARG 187 Cb 0.08 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.82 1.36 -0.20 5.56 0.52 -1.18 -3.68 118.95 119.51 2fs9 s ARG 188 Ca 0.00 -0.33 -0.36 0.00 -0.52 0.00 0.00 55.73 54.52 2fs9 s ARG 188 Cb 0.00 -1.18 0.15 0.00 0.52 0.00 0.00 34.95 34.43 2fs9 s ARG 188 CO 0.00 0.03 1.31 0.34 0.02 0.00 0.00 175.30 177.00 2fs9 s ASP 189 N 0.60 -0.07 0.50 0.23 2.15 -1.02 -1.08 116.67 117.99 2fs9 s ASP 189 Ca -0.11 -0.02 -0.03 0.00 0.43 0.00 0.00 52.55 52.82 2fs9 s ASP 189 Cb -0.14 0.08 -0.00 0.00 -0.30 0.00 0.00 42.92 42.56 2fs9 s ASP 189 CO 0.02 -0.14 0.77 -0.94 -0.17 0.00 0.00 175.17 174.71 2fs9 s SER 190 N -2.28 5.81 0.36 -0.34 1.04 -1.26 0.36 113.70 117.38 2fs9 s SER 190 Ca 0.11 0.53 -0.02 0.00 0.48 0.00 0.00 55.95 57.05 2fs9 s SER 190 Cb 0.00 -1.70 0.01 0.00 0.10 0.00 0.00 66.02 64.43 2fs9 s SER 190 CO -0.04 -0.81 0.50 0.00 0.98 0.00 0.00 173.24 173.87 2fs9 n GLN 192 N -0.59 1.01 0.00 0.00 3.00 -1.26 -0.55 117.38 118.98 2fs9 n GLN 192 Ca 0.01 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2fs9 n GLN 192 Cb 0.61 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.83 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 3.92 1.53 0.05 1.08 0.00 -1.26 -0.30 105.19 110.21 2fs9 n GLY 193 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.44 1.61 8.00 0.29 -3.83 116.55 118.72 2fs9 n ASP 194 Ca 0.00 0.00 -0.50 0.00 0.71 0.00 0.00 54.79 55.00 2fs9 n ASP 194 Cb 0.00 0.97 -0.04 0.00 -0.02 0.00 0.00 41.12 42.03 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 -2.25 -0.71 0.00 -2.24 7.64 -1.26 -0.58 113.62 114.22 2fs9 n SER 195 Ca -0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2fs9 n SER 195 Cb 0.50 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 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 1.85 2.59 3.77 0.23 0.00 -0.24 0.46 105.19 113.86 2fs9 n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.88 1.60 0.17 -0.02 0.00 0.25 -2.95 107.32 104.49 2fs9 s GLY 197 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 2fs9 s GLY 197 CO 0.00 -0.03 0.37 2.56 0.00 0.00 0.00 173.10 176.01 2fs9 s PRO 198 N -5.35 3.56 -0.26 2.90 0.04 -1.26 -0.98 135.00 133.63 2fs9 s PRO 198 Ca 0.66 -0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.49 2fs9 s PRO 198 Cb -0.13 -2.85 0.07 0.00 0.04 0.00 0.00 34.50 31.62 2fs9 s PRO 198 CO 0.54 0.44 -0.06 -1.17 0.04 0.00 0.00 177.00 176.79 2fs9 s LEU 199 N -2.99 3.28 0.15 -3.56 2.96 -0.78 -3.11 118.68 114.63 2fs9 s LEU 199 Ca 0.39 -1.44 0.09 0.00 -0.22 0.00 0.00 54.13 52.96 2fs9 s LEU 199 Cb -0.12 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2fs9 s LEU 199 CO 0.27 -0.24 -0.14 0.68 -1.32 0.00 0.00 176.35 175.60 2fs9 s VAL 200 N 1.19 2.99 0.05 1.68 -7.23 0.63 -0.98 120.40 118.72 2fs9 s VAL 200 Ca -0.04 -1.62 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2fs9 s VAL 200 Cb -0.19 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 2fs9 s VAL 200 CO -0.07 -0.02 -0.09 0.00 -0.31 0.00 0.00 175.10 174.61 2fs9 s LYS 202 N -1.50 3.42 -0.17 0.00 2.36 -1.26 -0.98 119.74 121.62 2fs9 s LYS 202 Ca -0.07 -0.25 0.01 0.00 -2.55 0.00 0.00 55.97 53.11 2fs9 s LYS 202 Cb -0.09 -3.89 0.03 0.00 -1.05 0.00 0.00 37.83 32.82 2fs9 s LYS 202 CO 0.01 -0.88 -0.15 0.08 1.55 0.00 0.00 175.35 175.96 2fs9 s VAL 203 N 2.70 1.73 -1.38 4.02 1.01 -0.39 -4.74 120.40 123.34 2fs9 s VAL 203 Ca 0.22 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2fs9 s VAL 203 Cb -0.14 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.62 2fs9 s VAL 203 CO 0.17 0.40 0.99 0.59 0.00 0.00 0.00 175.10 177.25 2fs9 n ASN 204 N 4.70 -4.16 -0.21 3.32 3.02 -1.26 -2.08 115.26 118.59 2fs9 n ASN 204 Ca -0.17 -0.69 -0.03 0.00 -0.03 0.00 0.00 54.58 53.66 2fs9 n ASN 204 Cb 0.49 -4.47 -0.01 0.00 -0.61 0.00 0.00 39.78 35.18 2fs9 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fs9 n GLY 205 N -1.69 0.48 3.03 7.41 0.00 -1.26 -5.00 105.19 108.16 2fs9 n GLY 205 Ca -0.09 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 2fs9 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fs9 s THR 206 N -1.68 0.93 -0.13 2.61 2.01 -0.88 -5.12 115.64 113.37 2fs9 s THR 206 Ca 0.00 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2fs9 s THR 206 Cb 0.00 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 2fs9 s THR 206 CO 0.00 0.28 1.09 0.26 -0.69 0.00 0.00 174.62 175.56 2fs9 s TRP 207 N 0.14 3.32 -0.04 4.92 0.52 -1.26 -1.26 118.94 125.28 2fs9 s TRP 207 Ca -0.03 1.41 0.06 0.00 0.02 0.00 0.00 56.10 57.56 2fs9 s TRP 207 Cb -0.09 -3.30 -0.02 0.00 -1.15 0.00 0.00 33.47 28.91 2fs9 s TRP 207 CO 0.01 -0.71 -0.20 -0.51 0.02 0.00 0.00 176.95 175.56 2fs9 s LEU 208 N 2.53 2.41 -0.50 2.99 1.43 -0.15 -3.37 118.68 124.02 2fs9 s LEU 208 Ca 0.50 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 2fs9 s LEU 208 Cb -0.19 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2fs9 s LEU 208 CO 0.15 0.33 0.87 -1.58 0.23 0.00 0.00 176.35 176.36 2fs9 s GLN 209 N -0.67 3.38 0.07 1.70 0.74 -0.62 -1.28 119.66 122.99 2fs9 s GLN 209 Ca 0.11 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.36 2fs9 s GLN 209 Cb -0.10 -4.00 -0.25 0.00 1.10 0.00 0.00 33.01 29.76 2fs9 s GLN 209 CO -0.00 -1.31 1.11 0.00 -0.55 0.00 0.00 175.29 174.55 2fs9 h ALA 210 N 9.15 0.29 -2.90 1.58 0.00 -1.42 -3.38 119.26 122.58 2fs9 h ALA 210 Ca -0.25 -0.98 -0.19 0.00 0.00 0.00 0.00 54.91 53.49 2fs9 h ALA 210 Cb 1.08 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2fs9 h ALA 210 CO 1.03 1.17 -0.13 0.20 0.00 0.00 0.00 179.25 181.52 2fs9 s GLY 211 N -4.77 1.10 -0.11 0.00 0.00 -1.02 -1.72 107.32 100.81 2fs9 s GLY 211 Ca -0.03 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.44 2fs9 s GLY 211 CO 0.85 -0.84 -0.15 0.14 0.00 0.00 0.00 173.10 173.10 2fs9 s VAL 212 N -3.27 1.47 -0.11 1.40 1.01 -1.03 -1.87 120.40 118.00 2fs9 s VAL 212 Ca 0.27 -0.63 -0.35 0.00 0.00 0.00 0.00 61.98 61.27 2fs9 s VAL 212 Cb -0.01 -1.35 -0.12 0.00 0.00 0.00 0.00 36.38 34.90 2fs9 s VAL 212 CO 0.16 0.44 1.85 0.52 0.00 0.00 0.00 175.10 178.07 2fs9 n VAL 213 N 4.19 0.52 0.00 2.92 0.31 -0.16 -1.25 118.33 124.87 2fs9 n VAL 213 Ca -0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2fs9 n VAL 213 Cb 0.51 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 6.36 0.00 -2.06 4.52 2.88 -0.94 -1.07 113.62 123.31 2fs9 n SER 214 Ca 0.23 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 2fs9 n SER 214 Cb 0.27 -0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.59 -1.04 0.00 0.66 4.27 -0.90 -4.90 117.44 113.95 2fs9 n TRP 215 Ca 0.00 -1.24 0.00 0.00 -3.89 0.00 0.00 57.50 52.37 2fs9 n TRP 215 Cb 0.00 0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 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 -0.31 2.07 3.49 -1.67 0.00 -1.26 -0.69 105.19 106.82 2fs9 n GLY 216 Ca -0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 3.18 2.57 1.61 2.12 -1.26 -4.86 118.70 120.05 2fs9 s GLU 217 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2fs9 s GLU 217 Cb 0.00 -4.28 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2fs9 s GLU 217 CO 0.00 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.18 2fs9 n GLY 219 N 5.41 -0.53 2.84 -1.50 0.00 -1.26 -4.56 105.19 105.59 2fs9 n GLY 219 Ca 0.01 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 4.62 -1.24 -2.57 0.00 0.00 -1.26 -4.68 120.51 115.38 2fs9 n ALA 221 Ca -0.16 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 2fs9 n ALA 221 Cb 0.50 -4.67 -0.04 0.00 0.00 0.00 0.00 19.45 15.24 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 -6.39 3.65 0.13 0.00 -1.52 -1.26 -4.28 119.66 109.99 2fs9 s GLN 221 Ca 0.59 -0.01 -0.35 0.00 -1.95 0.00 0.00 55.36 53.64 2fs9 s GLN 221 Cb -0.28 -2.73 -0.16 0.00 -0.22 0.00 0.00 33.01 29.63 2fs9 s GLN 221 CO 0.72 0.33 1.38 -2.30 -0.25 0.00 0.00 175.29 175.17 2fs9 n PRO 222 N -0.46 1.48 -2.87 2.91 -0.02 -1.26 -1.17 135.00 133.61 2fs9 n PRO 222 Ca -0.02 0.53 -0.19 0.00 -2.02 0.00 0.00 63.50 61.81 2fs9 n PRO 222 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.64 -4.50 -3.13 2.55 5.03 -1.26 -4.88 115.26 111.70 2fs9 n ASN 223 Ca 0.17 -0.12 -0.18 0.00 0.87 0.00 0.00 54.58 55.31 2fs9 n ASN 223 Cb 0.23 -3.73 -0.03 0.00 -1.02 0.00 0.00 39.78 35.24 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 -3.39 0.90 -1.37 3.52 5.12 -0.31 -3.95 116.66 117.17 2fs9 n ARG 224 Ca -0.10 -3.15 -0.35 0.00 -1.93 0.00 0.00 57.85 52.31 2fs9 n ARG 224 Cb 0.60 -1.51 0.10 0.00 -1.16 0.00 0.00 32.46 30.48 2fs9 n ARG 224 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2fs9 n PRO 225 N 0.62 0.57 -2.16 5.56 -0.04 -1.26 -4.17 135.00 134.12 2fs9 n PRO 225 Ca 0.22 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 2fs9 n PRO 225 Cb 0.63 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 2fs9 n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2fs9 s GLY 226 N -1.75 2.59 -0.16 0.55 0.00 -0.98 -4.73 107.32 102.84 2fs9 s GLY 226 Ca 0.76 1.18 -0.08 0.00 0.00 0.00 0.00 44.72 46.58 2fs9 s GLY 226 CO 0.47 2.05 0.14 -0.42 0.00 0.00 0.00 173.10 175.34 2fs9 s ILE 227 N -0.28 5.46 0.17 0.90 -1.09 0.13 -2.02 121.20 124.47 2fs9 s ILE 227 Ca 0.55 0.20 0.08 0.00 -2.23 0.00 0.00 60.65 59.24 2fs9 s ILE 227 Cb -0.38 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2fs9 s ILE 227 CO 0.43 0.54 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.21 2fs9 s TYR 228 N -0.38 1.68 -0.28 3.97 1.51 0.17 -2.12 117.35 121.89 2fs9 s TYR 228 Ca 0.12 -0.53 -0.27 0.00 -1.01 0.00 0.00 57.07 55.38 2fs9 s TYR 228 Cb -0.12 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 2fs9 s TYR 228 CO 0.01 0.29 0.94 0.99 -1.11 0.00 0.00 175.55 176.68 2fs9 s THR 229 N -2.43 4.69 -0.18 -0.71 2.01 -0.38 1.00 115.64 119.64 2fs9 s THR 229 Ca 0.17 1.63 -0.29 0.00 0.31 0.00 0.00 61.69 63.51 2fs9 s THR 229 Cb -0.04 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2fs9 s THR 229 CO 0.06 -0.26 1.85 -0.60 -0.69 0.00 0.00 174.62 174.98 2fs9 s ARG 230 N 3.19 3.65 0.17 4.92 3.52 -0.40 -2.47 118.95 131.52 2fs9 s ARG 230 Ca 0.39 1.91 -0.12 0.00 -0.13 0.00 0.00 55.73 57.79 2fs9 s ARG 230 Cb -0.14 -4.16 0.06 0.00 -1.56 0.00 0.00 34.95 29.15 2fs9 s ARG 230 CO 0.11 -1.48 1.68 0.28 -0.81 0.00 0.00 175.30 175.07 2fs9 h VAL 231 N 6.36 1.25 -0.95 7.11 2.07 -1.61 -2.80 116.25 127.67 2fs9 h VAL 231 Ca -0.39 -0.88 0.20 0.00 0.82 0.00 0.00 66.70 66.45 2fs9 h VAL 231 Cb 1.19 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2fs9 h VAL 231 CO 0.98 0.33 0.61 0.71 0.02 0.00 0.00 177.57 180.22 2fs9 h THR 232 N 0.82 0.70 0.00 2.57 1.35 -1.87 0.11 112.91 116.59 2fs9 h THR 232 Ca 0.18 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2fs9 h THR 232 Cb 0.34 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 66.85 2fs9 h THR 232 CO 0.00 0.10 -0.02 0.22 -0.25 0.00 0.00 175.52 175.57 2fs9 h TYR 233 N 0.56 0.00 -0.13 4.73 5.03 -1.86 -3.08 116.97 122.22 2fs9 h TYR 233 Ca 0.51 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.81 2fs9 h TYR 233 Cb 1.05 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 2fs9 h TYR 233 CO -0.00 0.02 -0.01 0.66 -1.32 0.00 0.00 178.16 177.51 2fs9 n TYR 234 N -4.16 0.45 -0.32 -3.82 4.01 0.35 -4.76 117.16 108.90 2fs9 n TYR 234 Ca -0.03 -0.97 -0.02 0.00 -0.16 0.00 0.00 57.90 56.72 2fs9 n TYR 234 Cb 0.10 -0.23 0.10 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.86 0.97 -1.21 7.72 3.38 -1.39 -2.13 115.31 123.51 2fs9 h LEU 235 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2fs9 h LEU 235 Cb 1.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2fs9 h LEU 235 CO 0.11 0.69 0.05 0.44 0.09 0.00 0.00 178.44 179.82 2fs9 h ASP 236 N 1.15 0.56 -0.29 -0.43 3.32 -1.86 -0.98 116.42 117.88 2fs9 h ASP 236 Ca 0.34 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 2fs9 h ASP 236 Cb -0.06 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2fs9 h ASP 236 CO -0.09 0.59 -0.39 -0.25 -1.72 0.00 0.00 179.24 177.38 2fs9 h TRP 237 N 0.58 1.01 -0.49 4.55 7.01 -1.81 -2.84 115.95 123.96 2fs9 h TRP 237 Ca 0.13 -0.30 -0.10 0.00 2.11 0.00 0.00 58.89 60.73 2fs9 h TRP 237 Cb 0.29 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2fs9 h TRP 237 CO 0.01 1.09 -0.10 0.82 -2.79 0.00 0.00 178.44 177.48 2fs9 h ILE 238 N 0.69 1.26 0.00 2.65 2.04 -0.90 -2.77 117.51 120.48 2fs9 h ILE 238 Ca 0.06 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2fs9 h ILE 238 Cb 0.96 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2fs9 h ILE 238 CO 0.09 0.42 0.00 1.41 0.00 0.00 0.00 178.15 180.07 2fs9 n HIS 239 N -4.16 0.00 0.31 1.37 8.25 -0.42 0.07 115.22 120.65 2fs9 n HIS 239 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 2fs9 n HIS 239 Cb 0.38 -0.20 0.41 0.00 1.12 0.00 0.00 29.99 31.69 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 2.76 -1.24 -3.38 115.15 117.70 2fs9 h HIS 240 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2fs9 h HIS 240 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2fs9 h HIS 240 CO 0.00 0.00 -0.96 0.66 -1.30 0.00 0.00 177.93 176.33 2fs9 n TYR 241 N -2.90 0.00 -3.01 5.26 4.01 -0.93 -5.03 117.16 114.56 2fs9 n TYR 241 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 2fs9 n TYR 241 Cb 0.41 0.02 -0.05 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 -2.00 4.86 0.18 -0.72 1.01 0.11 -5.02 120.40 118.82 2fs9 s VAL 242 Ca 0.00 1.12 -0.33 0.00 0.00 0.00 0.00 61.98 62.77 2fs9 s VAL 242 Cb 0.00 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 2fs9 s VAL 242 CO 0.00 -0.17 1.33 -2.65 0.00 0.00 0.00 175.10 173.61 2fs9 n PRO 243 N 6.04 1.57 0.00 2.72 -0.02 -1.26 -4.41 135.00 139.62 2fs9 n PRO 243 Ca 0.02 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.21 2fs9 n PRO 243 Cb 0.48 -2.17 0.86 0.00 -0.02 0.00 0.00 33.50 32.65 2fs9 n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11