#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs8 s VAL 17 N 0.00 5.05 -0.38 1.39 1.01 0.75 -4.14 120.40 124.09 2fs8 s VAL 17 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2fs8 s VAL 17 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2fs8 s VAL 17 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2fs8 n GLY 18 N 4.36 0.34 0.00 4.51 0.00 -1.25 -2.33 105.19 110.81 2fs8 n GLY 18 Ca -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2fs8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs8 n GLY 19 N -1.42 3.35 3.30 -0.02 0.00 -1.26 -4.87 105.19 104.27 2fs8 n GLY 19 Ca -0.05 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 2fs8 n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fs8 s GLN 20 N 3.02 1.10 0.37 1.61 -2.07 -1.03 -4.97 119.66 117.69 2fs8 s GLN 20 Ca 0.00 -1.19 -0.28 0.00 -1.82 0.00 0.00 55.36 52.07 2fs8 s GLN 20 Cb 0.00 0.36 -0.10 0.00 -1.09 0.00 0.00 33.01 32.18 2fs8 s GLN 20 CO 0.00 -0.39 1.38 -2.00 -1.32 0.00 0.00 175.29 172.97 2fs8 s GLU 21 N -3.97 4.13 0.22 9.60 2.12 -1.26 -2.30 118.70 127.24 2fs8 s GLU 21 Ca 0.17 2.35 -0.20 0.00 0.36 0.00 0.00 54.97 57.65 2fs8 s GLU 21 Cb 0.04 -2.93 -0.08 0.00 0.26 0.00 0.00 34.13 31.41 2fs8 s GLU 21 CO -0.01 -0.43 0.73 0.00 -0.54 0.00 0.00 175.26 175.01 2fs8 s ALA 22 N -1.16 3.41 0.66 6.30 0.00 0.03 -4.83 121.76 126.17 2fs8 s ALA 22 Ca 0.53 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 2fs8 s ALA 22 Cb -0.42 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2fs8 s ALA 22 CO 0.56 0.32 1.20 -2.14 0.00 0.00 0.00 175.76 175.70 2fs8 s PRO 23 N -1.93 2.57 0.58 0.00 0.02 -1.26 -4.90 135.00 130.08 2fs8 s PRO 23 Ca 0.43 1.76 0.30 0.00 0.02 0.00 0.00 61.00 63.50 2fs8 s PRO 23 Cb -0.17 -1.89 1.78 0.00 0.02 0.00 0.00 34.50 34.24 2fs8 s PRO 23 CO 0.21 -1.50 2.23 0.00 -0.33 0.00 0.00 177.00 177.61 2fs8 h ARG 24 N 0.26 0.00 -0.01 5.54 3.08 -2.00 -2.54 114.38 118.70 2fs8 h ARG 24 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2fs8 h ARG 24 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2fs8 h ARG 24 CO 0.53 0.02 -0.01 -1.13 -1.07 0.00 0.00 179.97 178.31 2fs8 n SER 25 N -3.77 0.78 -4.69 7.04 3.41 -1.26 -4.90 113.62 110.23 2fs8 n SER 25 Ca -0.03 -1.21 -0.26 0.00 -0.26 0.00 0.00 58.87 57.11 2fs8 n SER 25 Cb 0.11 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 2fs8 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fs8 s LYS 26 N -2.04 2.51 -1.10 4.33 1.02 -0.96 -4.75 119.74 118.76 2fs8 s LYS 26 Ca 0.41 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 2fs8 s LYS 26 Cb 0.21 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2fs8 s LYS 26 CO 0.36 0.45 0.94 0.91 -0.92 0.00 0.00 175.35 177.09 2fs8 n TRP 27 N -0.25 -2.32 0.30 3.18 5.03 -1.26 -4.90 117.44 117.22 2fs8 n TRP 27 Ca -0.09 0.88 0.14 0.00 3.03 0.00 0.00 57.50 61.46 2fs8 n TRP 27 Cb 0.55 -4.50 0.66 0.00 -1.03 0.00 0.00 31.31 26.99 2fs8 n TRP 27 CO 0.00 0.00 0.00 -1.35 -0.03 0.00 0.00 177.69 176.31 2fs8 h PRO 28 N -1.41 0.00 0.00 -0.99 0.11 -1.85 -2.81 132.00 125.05 2fs8 h PRO 28 Ca -0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.52 2fs8 h PRO 28 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2fs8 h PRO 28 CO 0.46 0.00 -0.77 -2.67 -0.21 0.00 0.00 178.00 174.81 2fs8 n TRP 29 N -2.51 0.14 -1.90 0.65 2.14 -1.17 -2.74 117.44 112.06 2fs8 n TRP 29 Ca 0.00 0.04 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 2fs8 n TRP 29 Cb 0.16 -0.31 -0.03 0.00 -0.81 0.00 0.00 31.31 30.32 2fs8 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fs8 s GLN 30 N -3.08 4.20 0.28 -2.67 2.00 -1.06 -1.01 119.66 118.31 2fs8 s GLN 30 Ca 0.08 2.42 0.03 0.00 -2.00 0.00 0.00 55.36 55.88 2fs8 s GLN 30 Cb 0.16 -3.11 -0.06 0.00 0.80 0.00 0.00 33.01 30.80 2fs8 s GLN 30 CO 0.76 -0.58 0.05 0.14 -0.50 0.00 0.00 175.29 175.17 2fs8 s VAL 31 N 0.63 0.95 -0.06 1.34 -7.23 -0.77 -2.04 120.40 113.22 2fs8 s VAL 31 Ca 0.67 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 2fs8 s VAL 31 Cb -0.45 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 33.87 2fs8 s VAL 31 CO 0.38 -0.08 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.38 2fs8 s SER 32 N -3.39 2.09 -0.14 4.85 0.15 0.01 -2.32 113.70 114.95 2fs8 s SER 32 Ca 0.35 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 2fs8 s SER 32 Cb 0.08 -0.85 -0.05 0.00 -1.71 0.00 0.00 66.02 63.49 2fs8 s SER 32 CO 0.13 0.09 0.28 -0.76 1.20 0.00 0.00 173.24 174.18 2fs8 s LEU 33 N 0.42 4.28 -0.02 3.45 1.43 -0.20 -0.53 118.68 127.51 2fs8 s LEU 33 Ca -0.12 0.52 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 2fs8 s LEU 33 Cb -0.15 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 2fs8 s LEU 33 CO 0.04 0.16 -0.26 -0.13 0.23 0.00 0.00 176.35 176.39 2fs8 s ARG 34 N 0.16 2.09 -0.07 1.70 1.81 0.22 -2.12 118.95 122.74 2fs8 s ARG 34 Ca 0.16 -0.93 0.01 0.00 -1.72 0.00 0.00 55.73 53.25 2fs8 s ARG 34 Cb -0.13 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.31 2fs8 s ARG 34 CO 0.04 0.56 -0.09 0.54 -0.68 0.00 0.00 175.30 175.67 2fs8 s VAL 35 N -0.61 3.55 0.37 3.52 0.11 -0.34 -0.37 120.40 126.62 2fs8 s VAL 35 Ca 0.10 -0.53 -0.28 0.00 -2.93 0.00 0.00 61.98 58.34 2fs8 s VAL 35 Cb -0.10 -2.45 -0.10 0.00 -1.53 0.00 0.00 36.38 32.20 2fs8 s VAL 35 CO -0.01 0.58 1.40 -2.28 -3.33 0.00 0.00 175.10 171.46 2fs8 s HIS 36 N -0.63 2.78 0.00 1.54 2.46 0.20 -2.54 115.29 119.10 2fs8 s HIS 36 Ca 0.09 1.29 0.00 0.00 0.47 0.00 0.00 55.06 56.91 2fs8 s HIS 36 Cb -0.11 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.48 2fs8 s HIS 36 CO 0.02 -2.48 0.00 0.41 -2.47 0.00 0.00 174.74 170.22 2fs8 n GLY 37 N 0.61 1.37 0.36 1.59 0.00 -1.26 -4.94 105.19 102.92 2fs8 n GLY 37 Ca 0.01 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.96 2fs8 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fs8 h PRO 37 N 0.00 0.00 -2.81 1.61 0.11 -2.04 -3.42 132.00 125.45 2fs8 h PRO 37 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2fs8 h PRO 37 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2fs8 h PRO 37 CO 0.00 0.00 0.29 1.52 -0.21 0.00 0.00 178.00 179.60 2fs8 s TYR 37 N -4.46 -0.31 -0.96 0.65 1.13 -1.26 -5.08 117.35 107.06 2fs8 s TYR 37 Ca -0.04 -0.00 -0.24 0.00 -1.41 0.00 0.00 57.07 55.38 2fs8 s TYR 37 Cb 0.13 0.63 0.02 0.00 -1.10 0.00 0.00 41.96 41.64 2fs8 s TYR 37 CO 0.47 -0.96 1.60 -1.58 -2.51 0.00 0.00 175.55 172.57 2fs8 s TRP 38 N -3.67 2.27 0.26 -3.49 0.52 -1.26 -4.70 118.94 108.87 2fs8 s TRP 38 Ca 0.07 -0.30 -0.24 0.00 0.02 0.00 0.00 56.10 55.65 2fs8 s TRP 38 Cb -0.03 -4.48 -0.09 0.00 -1.15 0.00 0.00 33.47 27.72 2fs8 s TRP 38 CO -0.02 -1.90 0.85 1.41 0.02 0.00 0.00 176.95 177.30 2fs8 s MET 39 N 5.70 4.48 -0.09 4.98 1.75 -1.05 -4.76 119.30 130.31 2fs8 s MET 39 Ca 0.53 1.16 -0.30 0.00 -1.25 0.00 0.00 55.69 55.83 2fs8 s MET 39 Cb -0.03 -2.92 -0.02 0.00 2.84 0.00 0.00 34.83 34.71 2fs8 s MET 39 CO -0.05 0.37 1.04 -1.58 -0.65 0.00 0.00 175.02 174.15 2fs8 s HIS 40 N -1.50 3.47 0.00 4.11 2.46 -1.26 -1.19 115.29 121.38 2fs8 s HIS 40 Ca 0.45 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.52 2fs8 s HIS 40 Cb -0.19 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2fs8 s HIS 40 CO 0.24 -0.39 0.00 1.97 -2.47 0.00 0.00 174.74 174.09 2fs8 n PHE 41 N 4.95 0.00 -3.86 3.88 -1.74 -0.90 -4.98 117.46 114.82 2fs8 n PHE 41 Ca 0.09 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.89 2fs8 n PHE 41 Cb 0.48 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.45 2fs8 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fs8 s GLY 43 N -2.93 1.84 0.18 0.00 0.00 0.21 -1.04 107.32 105.58 2fs8 s GLY 43 Ca 0.14 -1.95 -0.15 0.00 0.00 0.00 0.00 44.72 42.77 2fs8 s GLY 43 CO 0.04 -1.63 0.71 0.61 0.00 0.00 0.00 173.10 172.83 2fs8 n GLY 44 N -2.07 0.91 3.22 0.20 0.00 -0.98 -3.68 105.19 102.78 2fs8 n GLY 44 Ca 0.12 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2fs8 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fs8 s SER 45 N -2.73 -0.30 -0.30 1.61 1.04 -0.15 -1.85 113.70 111.02 2fs8 s SER 45 Ca 0.16 0.53 -0.23 0.00 0.48 0.00 0.00 55.95 56.88 2fs8 s SER 45 Cb -0.03 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 2fs8 s SER 45 CO 0.05 -0.18 0.79 -0.22 0.98 0.00 0.00 173.24 174.66 2fs8 s LEU 46 N -0.15 4.08 0.00 2.42 2.96 -0.18 -0.64 118.68 127.18 2fs8 s LEU 46 Ca -0.03 0.71 0.13 0.00 -0.22 0.00 0.00 54.13 54.72 2fs8 s LEU 46 Cb -0.03 -3.08 0.05 0.00 0.50 0.00 0.00 46.19 43.63 2fs8 s LEU 46 CO 0.01 -0.59 0.84 2.30 -1.32 0.00 0.00 176.35 177.59 2fs8 n ILE 47 N 5.49 0.00 -3.58 6.68 -5.35 -0.92 -1.12 119.36 120.55 2fs8 n ILE 47 Ca 0.04 -0.43 -0.10 0.00 -0.27 0.00 0.00 62.75 61.99 2fs8 n ILE 47 Cb 0.48 1.22 -0.05 0.00 -1.74 0.00 0.00 39.64 39.55 2fs8 n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fs8 s HIS 48 N -1.39 -0.35 0.65 4.28 5.04 -1.20 -4.75 115.29 117.58 2fs8 s HIS 48 Ca 0.13 0.61 0.20 0.00 -1.54 0.00 0.00 55.06 54.47 2fs8 s HIS 48 Cb 0.11 0.45 1.06 0.00 0.04 0.00 0.00 32.58 34.24 2fs8 s HIS 48 CO 0.25 -0.31 1.59 -1.35 -2.34 0.00 0.00 174.74 172.58 2fs8 h PRO 49 N 2.59 0.00 0.00 2.88 0.11 -1.95 -0.29 132.00 135.34 2fs8 h PRO 49 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2fs8 h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2fs8 h PRO 49 CO 0.30 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.13 2fs8 n GLN 50 N -2.89 0.77 -4.43 1.05 6.02 -1.26 0.60 117.38 117.24 2fs8 n GLN 50 Ca 0.02 -0.88 -0.22 0.00 -0.01 0.00 0.00 57.00 55.91 2fs8 n GLN 50 Cb 0.69 -0.94 -0.13 0.00 1.02 0.00 0.00 30.24 30.87 2fs8 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2fs8 s TRP 51 N -0.41 1.43 -0.04 1.08 0.52 -0.12 -0.79 118.94 120.60 2fs8 s TRP 51 Ca 0.00 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.79 2fs8 s TRP 51 Cb 0.00 -0.85 -0.00 0.00 -1.15 0.00 0.00 33.47 31.47 2fs8 s TRP 51 CO 0.00 0.06 -0.15 0.08 0.02 0.00 0.00 176.95 176.96 2fs8 s VAL 52 N -0.86 1.31 -0.14 4.03 1.01 -0.31 -2.16 120.40 123.27 2fs8 s VAL 52 Ca 0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2fs8 s VAL 52 Cb -0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2fs8 s VAL 52 CO 0.02 0.38 0.05 -0.22 0.00 0.00 0.00 175.10 175.33 2fs8 s LEU 53 N 0.14 3.83 0.00 3.92 2.96 0.19 -0.53 118.68 129.19 2fs8 s LEU 53 Ca -0.05 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.99 2fs8 s LEU 53 Cb -0.12 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.66 2fs8 s LEU 53 CO 0.02 0.28 0.35 1.07 -1.32 0.00 0.00 176.35 176.76 2fs8 n THR 54 N 2.80 0.00 -2.93 3.68 5.66 -0.69 -0.97 114.28 121.83 2fs8 n THR 54 Ca -0.18 -0.96 -0.40 0.00 -3.05 0.00 0.00 64.05 59.47 2fs8 n THR 54 Cb 0.53 0.65 -0.06 0.00 -1.55 0.00 0.00 70.33 69.91 2fs8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fs8 s ALA 55 N -2.13 3.41 0.43 1.79 0.00 -1.26 -1.07 121.76 122.94 2fs8 s ALA 55 Ca 0.16 0.41 0.12 0.00 0.00 0.00 0.00 51.96 52.65 2fs8 s ALA 55 Cb -0.01 -3.02 0.94 0.00 0.00 0.00 0.00 23.12 21.02 2fs8 s ALA 55 CO 0.11 0.24 1.98 0.00 0.00 0.00 0.00 175.76 178.09 2fs8 h ALA 56 N 4.50 1.66 0.00 0.00 0.00 -1.67 -2.40 119.26 121.36 2fs8 h ALA 56 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2fs8 h ALA 56 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2fs8 h ALA 56 CO 0.67 0.25 0.00 1.12 0.00 0.00 0.00 179.25 181.30 2fs8 h HIS 57 N 0.12 0.00 -0.15 0.00 2.07 -1.87 -0.02 115.15 115.30 2fs8 h HIS 57 Ca 0.03 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.44 2fs8 h HIS 57 Cb 0.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 2fs8 h HIS 57 CO 0.00 0.00 -0.38 0.00 -3.07 0.00 0.00 177.93 174.48 2fs8 n VAL 59 N -4.05 0.62 -3.35 0.00 0.24 -1.06 -5.01 118.33 105.72 2fs8 n VAL 59 Ca -0.01 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2fs8 n VAL 59 Cb 0.47 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 2fs8 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fs8 n GLY 60 N -0.31 3.79 0.18 7.63 0.00 -0.05 -4.61 105.19 111.82 2fs8 n GLY 60 Ca 0.00 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.78 2fs8 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fs8 h PRO 60 N 0.00 0.00 -6.64 1.61 0.13 -1.79 -3.42 132.00 121.89 2fs8 h PRO 60 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2fs8 h PRO 60 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2fs8 h PRO 60 CO 0.00 0.00 0.24 -0.51 -0.23 0.00 0.00 178.00 177.50 2fs8 s ASP 60 N -4.79 7.41 0.33 1.44 1.01 -1.26 -5.01 116.67 115.79 2fs8 s ASP 60 Ca 0.04 1.72 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 2fs8 s ASP 60 Cb 0.09 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.39 2fs8 s ASP 60 CO 0.47 0.14 1.48 -0.69 0.21 0.00 0.00 175.17 176.77 2fs8 s VAL 60 N -1.27 2.25 0.26 -1.27 1.01 -1.26 -5.02 120.40 115.10 2fs8 s VAL 60 Ca 0.40 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.72 2fs8 s VAL 60 Cb -0.22 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2fs8 s VAL 60 CO 0.27 0.05 -0.14 -0.54 0.00 0.00 0.00 175.10 174.74 2fs8 s LYS 60 N -1.34 1.87 -0.39 2.72 -0.14 -1.26 -5.08 119.74 116.12 2fs8 s LYS 60 Ca 0.56 -1.62 -0.29 0.00 -1.36 0.00 0.00 55.97 53.26 2fs8 s LYS 60 Cb -0.45 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 33.79 2fs8 s LYS 60 CO 0.54 0.35 1.40 0.34 -0.76 0.00 0.00 175.35 177.22 2fs8 s ASP 60 N -3.46 6.39 0.27 2.83 -1.08 -1.26 -4.89 116.67 115.46 2fs8 s ASP 60 Ca 0.29 0.90 -0.01 0.00 -0.52 0.00 0.00 52.55 53.22 2fs8 s ASP 60 Cb -0.06 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.36 2fs8 s ASP 60 CO 0.16 -1.38 1.81 -0.07 0.52 0.00 0.00 175.17 176.22 2fs8 h LEU 61 N 11.99 0.77 -2.01 -1.34 3.38 -1.95 -1.77 115.31 124.38 2fs8 h LEU 61 Ca -0.27 0.06 0.11 0.00 0.09 0.00 0.00 57.88 57.86 2fs8 h LEU 61 Cb 1.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2fs8 h LEU 61 CO 1.08 0.41 0.29 0.00 0.09 0.00 0.00 178.44 180.30 2fs8 h ALA 62 N 1.51 2.35 -0.01 1.53 0.00 -1.90 0.11 119.26 122.85 2fs8 h ALA 62 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2fs8 h ALA 62 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2fs8 h ALA 62 CO -0.27 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.49 2fs8 n ALA 63 N -2.60 2.62 -2.40 0.00 0.00 -0.67 -4.81 120.51 112.65 2fs8 n ALA 63 Ca 0.06 -0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 2fs8 n ALA 63 Cb 0.47 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 2fs8 n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fs8 s LEU 64 N -1.66 2.42 0.03 0.00 2.96 0.38 -0.63 118.68 122.18 2fs8 s LEU 64 Ca 0.32 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2fs8 s LEU 64 Cb 0.15 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 2fs8 s LEU 64 CO 0.25 0.32 0.07 -0.13 -1.32 0.00 0.00 176.35 175.54 2fs8 s ARG 65 N -0.78 0.54 -0.07 1.98 1.81 0.50 -4.22 118.95 118.70 2fs8 s ARG 65 Ca 0.11 -0.74 0.05 0.00 -1.72 0.00 0.00 55.73 53.44 2fs8 s ARG 65 Cb -0.10 0.21 -0.01 0.00 -0.45 0.00 0.00 34.95 34.59 2fs8 s ARG 65 CO 0.00 -0.13 -0.23 0.08 -0.68 0.00 0.00 175.30 174.35 2fs8 s VAL 66 N -2.43 2.23 -0.15 3.52 1.01 -0.23 0.72 120.40 125.07 2fs8 s VAL 66 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2fs8 s VAL 66 Cb -0.02 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2fs8 s VAL 66 CO -0.04 0.57 -0.17 -1.58 0.00 0.00 0.00 175.10 173.88 2fs8 s GLN 67 N -0.12 3.16 0.99 2.72 2.00 0.31 0.16 119.66 128.88 2fs8 s GLN 67 Ca -0.04 -0.78 -0.14 0.00 -2.00 0.00 0.00 55.36 52.40 2fs8 s GLN 67 Cb -0.14 -2.57 0.18 0.00 0.80 0.00 0.00 33.01 31.29 2fs8 s GLN 67 CO 0.04 0.01 1.13 -0.51 -0.50 0.00 0.00 175.29 175.46 2fs8 s LEU 68 N 0.81 1.67 0.01 3.68 1.02 -1.26 -0.81 118.68 123.81 2fs8 s LEU 68 Ca -0.06 0.95 -0.37 0.00 0.02 0.00 0.00 54.13 54.68 2fs8 s LEU 68 Cb -0.15 -3.12 -0.19 0.00 0.02 0.00 0.00 46.19 42.75 2fs8 s LEU 68 CO -0.00 -3.03 0.97 -1.14 0.02 0.00 0.00 176.35 173.16 2fs8 n ARG 69 N -4.08 0.00 -4.01 1.70 0.63 -0.87 -4.73 116.66 105.30 2fs8 n ARG 69 Ca 0.07 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.86 2fs8 n ARG 69 Cb 0.59 -1.38 -0.14 0.00 0.45 0.00 0.00 32.46 31.97 2fs8 n ARG 69 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2fs8 s GLU 70 N -0.07 0.23 0.16 -0.14 2.12 -1.26 -5.05 118.70 114.69 2fs8 s GLU 70 Ca 0.84 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 2fs8 s GLU 70 Cb -1.17 -0.24 -0.01 0.00 0.26 0.00 0.00 34.13 32.97 2fs8 s GLU 70 CO 0.54 0.04 1.39 0.37 -0.54 0.00 0.00 175.26 177.05 2fs8 h GLN 71 N 6.22 0.46 -3.76 4.30 5.75 -1.94 -3.43 115.11 122.71 2fs8 h GLN 71 Ca -0.28 -0.40 -0.48 0.00 -0.15 0.00 0.00 58.65 57.34 2fs8 h GLN 71 Cb 1.19 0.09 -0.38 0.00 1.07 0.00 0.00 27.48 29.45 2fs8 h GLN 71 CO 0.50 1.04 -0.77 -1.01 -2.65 0.00 0.00 178.83 175.94 2fs8 s HIS 72 N -3.55 0.96 0.15 3.99 3.76 -1.26 -2.47 115.29 116.87 2fs8 s HIS 72 Ca -0.06 -0.53 -0.33 0.00 -0.15 0.00 0.00 55.06 54.00 2fs8 s HIS 72 Cb 0.10 -0.97 -0.17 0.00 1.11 0.00 0.00 32.58 32.65 2fs8 s HIS 72 CO 0.85 -0.46 0.94 1.28 -0.85 0.00 0.00 174.74 176.50 2fs8 n LEU 73 N 5.07 0.38 0.00 0.89 4.77 -0.48 -1.79 117.00 125.83 2fs8 n LEU 73 Ca -0.09 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2fs8 n LEU 73 Cb 0.49 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2fs8 n LEU 73 CO 0.12 -1.95 0.00 -1.22 -1.33 0.00 0.00 177.39 173.01 2fs8 n TYR 74 N 0.94 0.00 0.24 -1.77 4.01 -1.26 -4.82 117.16 114.50 2fs8 n TYR 74 Ca 0.17 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 2fs8 n TYR 74 Cb 0.22 -0.22 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 2fs8 n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2fs8 h TYR 75 N 0.00 -0.53 -1.71 -0.72 3.20 -1.70 -3.35 116.97 112.17 2fs8 h TYR 75 Ca 0.00 -0.01 -0.59 0.00 3.14 0.00 0.00 58.73 61.27 2fs8 h TYR 75 Cb 0.00 0.18 -0.42 0.00 1.54 0.00 0.00 36.73 38.03 2fs8 h TYR 75 CO 0.00 -0.28 -0.70 1.04 -1.64 0.00 0.00 178.16 176.58 2fs8 n GLN 79 N -5.30 3.39 -1.90 1.82 1.13 -1.26 -5.09 117.38 110.17 2fs8 n GLN 79 Ca -0.11 -4.59 -0.42 0.00 -1.94 0.00 0.00 57.00 49.94 2fs8 n GLN 79 Cb 0.27 -2.25 -0.02 0.00 0.11 0.00 0.00 30.24 28.35 2fs8 n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2fs8 s ASP 80 N -3.51 6.52 -0.40 1.08 1.11 -1.26 -4.95 116.67 115.26 2fs8 s ASP 80 Ca 0.48 2.77 0.08 0.00 0.18 0.00 0.00 52.55 56.07 2fs8 s ASP 80 Cb 0.37 -2.62 0.27 0.00 1.07 0.00 0.00 42.92 42.01 2fs8 s ASP 80 CO -0.18 -0.81 0.62 0.00 1.18 0.00 0.00 175.17 175.98 2fs8 n GLN 81 N 2.65 0.77 -1.72 8.23 6.02 -1.26 -5.13 117.38 126.94 2fs8 n GLN 81 Ca 0.09 -3.01 -0.42 0.00 -0.01 0.00 0.00 57.00 53.65 2fs8 n GLN 81 Cb 0.39 -1.32 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 2fs8 n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2fs8 n LEU 82 N 1.22 3.95 -4.38 1.08 4.77 -1.26 -4.75 117.00 117.63 2fs8 n LEU 82 Ca 0.20 1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 57.04 2fs8 n LEU 82 Cb 0.57 -1.53 -0.14 0.00 -2.33 0.00 0.00 43.42 39.99 2fs8 n LEU 82 CO 0.16 -0.22 -0.42 -0.76 -1.33 0.00 0.00 177.39 174.82 2fs8 s LEU 83 N -1.09 2.83 0.73 2.23 1.43 0.12 -4.93 118.68 120.00 2fs8 s LEU 83 Ca 0.58 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 2fs8 s LEU 83 Cb -0.54 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2fs8 s LEU 83 CO 0.59 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 176.24 2fs8 s PRO 84 N 0.54 2.53 -0.05 1.29 0.04 -1.26 -1.06 135.00 137.02 2fs8 s PRO 84 Ca -0.07 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.20 2fs8 s PRO 84 Cb -0.15 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2fs8 s PRO 84 CO 0.03 -1.44 -0.20 0.08 0.04 0.00 0.00 177.00 175.52 2fs8 s VAL 85 N -2.78 2.55 -0.18 -0.36 1.01 -1.26 -2.86 120.40 116.52 2fs8 s VAL 85 Ca 0.62 -0.90 0.18 0.00 0.00 0.00 0.00 61.98 61.88 2fs8 s VAL 85 Cb -0.17 -1.97 -0.26 0.00 0.00 0.00 0.00 36.38 33.98 2fs8 s VAL 85 CO 0.52 0.58 0.11 -1.54 0.00 0.00 0.00 175.10 174.76 2fs8 n SER 86 N 2.64 0.01 -3.90 3.32 3.41 0.22 -4.81 113.62 114.50 2fs8 n SER 86 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.33 2fs8 n SER 86 Cb 0.52 1.10 -0.12 0.00 -0.26 0.00 0.00 64.21 65.45 2fs8 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2fs8 s ARG 87 N -2.59 0.26 -0.22 4.33 0.52 -1.17 -5.00 118.95 115.09 2fs8 s ARG 87 Ca -0.10 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 2fs8 s ARG 87 Cb 0.07 0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.68 2fs8 s ARG 87 CO 0.84 -0.05 -0.15 0.42 0.02 0.00 0.00 175.30 176.38 2fs8 s ILE 88 N -0.83 2.17 -0.26 1.52 -1.09 -1.26 -1.36 121.20 120.09 2fs8 s ILE 88 Ca -0.09 -1.23 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 2fs8 s ILE 88 Cb -0.05 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.79 2fs8 s ILE 88 CO 0.00 0.28 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.28 2fs8 s ILE 89 N 1.22 2.47 -0.11 2.92 1.01 0.13 -4.98 121.20 123.86 2fs8 s ILE 89 Ca -0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.19 2fs8 s ILE 89 Cb -0.16 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2fs8 s ILE 89 CO -0.09 0.03 -0.02 -0.69 0.00 0.00 0.00 174.94 174.17 2fs8 s VAL 90 N 1.19 4.11 -0.08 2.92 1.01 -1.26 0.92 120.40 129.20 2fs8 s VAL 90 Ca -0.06 -0.31 -0.34 0.00 0.00 0.00 0.00 61.98 61.28 2fs8 s VAL 90 Cb -0.19 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.33 2fs8 s VAL 90 CO -0.05 0.56 1.89 1.57 0.00 0.00 0.00 175.10 179.07 2fs8 n HIS 91 N 2.69 2.35 0.19 5.22 -0.00 -0.95 -4.82 115.22 119.91 2fs8 n HIS 91 Ca -0.18 -0.04 0.18 0.00 0.46 0.00 0.00 57.72 58.14 2fs8 n HIS 91 Cb 0.53 -2.68 0.74 0.00 -0.12 0.00 0.00 29.99 28.47 2fs8 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2fs8 h PRO 92 N 9.34 0.00 -0.00 1.57 0.13 -1.93 0.20 132.00 141.31 2fs8 h PRO 92 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2fs8 h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2fs8 h PRO 92 CO 0.95 0.00 -0.02 1.04 -0.23 0.00 0.00 178.00 179.73 2fs8 n GLN 93 N -3.31 0.58 -3.01 0.86 1.13 -1.26 -4.88 117.38 107.48 2fs8 n GLN 93 Ca 0.04 -0.06 -0.38 0.00 -1.94 0.00 0.00 57.00 54.66 2fs8 n GLN 93 Cb 0.55 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.35 2fs8 n GLN 93 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2fs8 s PHE 94 N -2.46 3.82 0.03 1.08 5.36 0.06 -4.80 117.98 121.08 2fs8 s PHE 94 Ca 0.32 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 2fs8 s PHE 94 Cb 0.20 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.16 2fs8 s PHE 94 CO 0.45 0.45 0.00 0.98 -1.46 0.00 0.00 175.22 175.64 2fs8 n TYR 95 N 1.31 -1.15 -4.05 10.12 9.36 -1.26 -4.92 117.16 126.57 2fs8 n TYR 95 Ca -0.05 0.08 -0.13 0.00 3.32 0.00 0.00 57.90 61.13 2fs8 n TYR 95 Cb 0.49 0.63 -0.11 0.00 -0.63 0.00 0.00 39.34 39.72 2fs8 n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2fs8 s THR 96 N -2.00 0.49 0.33 2.97 -4.23 -1.26 -4.52 115.64 107.41 2fs8 s THR 96 Ca 0.00 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2fs8 s THR 96 Cb 0.00 -0.56 0.20 0.00 1.34 0.00 0.00 72.50 73.47 2fs8 s THR 96 CO 0.00 -0.39 1.91 0.00 -0.54 0.00 0.00 174.62 175.60 2fs8 h ALA 97 N 4.52 1.40 0.00 3.99 0.00 -1.97 -2.25 119.26 124.94 2fs8 h ALA 97 Ca -0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2fs8 h ALA 97 Cb 1.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2fs8 h ALA 97 CO 0.41 0.45 -0.20 1.96 0.00 0.00 0.00 179.25 181.87 2fs8 h GLN 98 N 0.70 0.00 0.22 0.00 1.08 -1.98 -2.65 115.11 112.48 2fs8 h GLN 98 Ca 0.17 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.06 2fs8 h GLN 98 Cb 0.16 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2fs8 h GLN 98 CO -0.01 0.20 -1.36 0.82 -0.95 0.00 0.00 178.83 177.53 2fs8 h ILE 99 N 0.00 1.30 0.00 2.54 2.04 -1.82 -3.47 117.51 118.10 2fs8 h ILE 99 Ca -0.00 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 2fs8 h ILE 99 Cb 0.53 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 2fs8 h ILE 99 CO 0.03 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.58 2fs8 n GLY 100 N 1.72 0.93 2.36 5.37 0.00 -0.98 -5.00 105.19 109.59 2fs8 n GLY 100 Ca -0.17 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.50 2fs8 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs8 n ALA 101 N -1.00 -0.49 -1.54 4.61 0.00 -1.26 -4.42 120.51 116.41 2fs8 n ALA 101 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2fs8 n ALA 101 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.46 2fs8 n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fs8 n ASP 102 N -0.87 3.49 -3.89 0.00 2.03 -1.26 -4.39 116.55 111.66 2fs8 n ASP 102 Ca -0.15 -2.79 -0.11 0.00 0.52 0.00 0.00 54.79 52.27 2fs8 n ASP 102 Cb 0.62 -1.48 -0.11 0.00 -0.72 0.00 0.00 41.12 39.43 2fs8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2fs8 s ILE 103 N 3.76 0.07 0.14 5.18 2.07 -1.26 -3.58 121.20 127.57 2fs8 s ILE 103 Ca 0.50 -0.59 -0.20 0.00 -1.41 0.00 0.00 60.65 58.95 2fs8 s ILE 103 Cb 0.14 -0.32 0.06 0.00 0.13 0.00 0.00 42.46 42.47 2fs8 s ILE 103 CO -0.02 -0.32 0.52 0.00 -1.91 0.00 0.00 174.94 173.20 2fs8 s ALA 104 N -1.07 -1.33 -0.02 1.50 0.00 -0.23 -2.23 121.76 118.37 2fs8 s ALA 104 Ca -0.12 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.21 2fs8 s ALA 104 Cb -0.07 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 2fs8 s ALA 104 CO 0.01 -0.70 -0.20 -0.51 0.00 0.00 0.00 175.76 174.36 2fs8 s LEU 105 N -2.69 2.02 -0.16 0.00 1.43 0.26 -1.70 118.68 117.84 2fs8 s LEU 105 Ca 0.01 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2fs8 s LEU 105 Cb 0.00 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.18 2fs8 s LEU 105 CO -0.11 0.23 -0.18 -0.76 0.23 0.00 0.00 176.35 175.76 2fs8 s LEU 106 N -0.35 2.31 -0.21 1.79 1.02 0.31 0.22 118.68 123.76 2fs8 s LEU 106 Ca 0.05 -0.55 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 2fs8 s LEU 106 Cb -0.09 -1.52 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 2fs8 s LEU 106 CO 0.00 0.06 0.14 -0.70 0.02 0.00 0.00 176.35 175.86 2fs8 s GLU 107 N 0.96 4.12 0.58 1.70 2.12 -0.47 -1.17 118.70 126.55 2fs8 s GLU 107 Ca -0.03 -0.25 -0.14 0.00 0.36 0.00 0.00 54.97 54.91 2fs8 s GLU 107 Cb -0.15 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2fs8 s GLU 107 CO -0.04 0.20 1.01 -0.51 -0.54 0.00 0.00 175.26 175.39 2fs8 s LEU 108 N 0.65 3.41 0.47 2.70 1.43 0.03 -0.61 118.68 126.76 2fs8 s LEU 108 Ca 0.07 1.53 0.27 0.00 -1.03 0.00 0.00 54.13 54.97 2fs8 s LEU 108 Cb -0.12 -4.49 0.78 0.00 0.03 0.00 0.00 46.19 42.38 2fs8 s LEU 108 CO 0.01 -0.81 1.77 -0.33 0.23 0.00 0.00 176.35 177.21 2fs8 h GLU 109 N 0.24 0.00 -3.79 1.70 5.08 -1.84 -3.41 114.58 112.55 2fs8 h GLU 109 Ca -0.45 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.71 2fs8 h GLU 109 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 2fs8 h GLU 109 CO 0.61 0.05 -0.68 -2.00 -1.00 0.00 0.00 179.01 175.99 2fs8 s GLU 110 N -3.41 0.18 0.54 2.33 2.56 -1.26 -5.03 118.70 114.61 2fs8 s GLU 110 Ca 0.04 -0.27 -0.20 0.00 0.00 0.00 0.00 54.97 54.54 2fs8 s GLU 110 Cb 0.07 0.07 -0.06 0.00 2.00 0.00 0.00 34.13 36.21 2fs8 s GLU 110 CO 0.62 -0.03 1.14 -1.25 -0.56 0.00 0.00 175.26 175.18 2fs8 s PRO 111 N -0.72 3.37 0.05 4.30 0.04 -1.26 -4.78 135.00 136.01 2fs8 s PRO 111 Ca -0.08 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 2fs8 s PRO 111 Cb -0.05 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2fs8 s PRO 111 CO -0.00 -0.84 0.41 0.08 0.04 0.00 0.00 177.00 176.69 2fs8 s VAL 112 N -1.75 5.06 -0.24 -0.36 1.01 0.20 -4.97 120.40 119.34 2fs8 s VAL 112 Ca 0.72 0.62 -0.25 0.00 0.00 0.00 0.00 61.98 63.07 2fs8 s VAL 112 Cb -0.24 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2fs8 s VAL 112 CO 0.28 0.39 0.85 -0.54 0.00 0.00 0.00 175.10 176.08 2fs8 s LYS 113 N -1.61 4.19 0.32 2.72 3.01 -1.26 -4.77 119.74 122.34 2fs8 s LYS 113 Ca 0.30 0.98 -0.09 0.00 -1.01 0.00 0.00 55.97 56.15 2fs8 s LYS 113 Cb -0.15 -3.65 -0.06 0.00 -1.01 0.00 0.00 37.83 32.96 2fs8 s LYS 113 CO 0.16 -0.53 0.65 0.14 0.51 0.00 0.00 175.35 176.28 2fs8 s VAL 114 N 2.89 4.89 0.26 3.17 -7.23 -1.26 -4.94 120.40 118.17 2fs8 s VAL 114 Ca 0.36 0.42 -0.06 0.00 -1.81 0.00 0.00 61.98 60.89 2fs8 s VAL 114 Cb -0.15 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.11 2fs8 s VAL 114 CO 0.07 -0.33 0.44 -1.54 -0.31 0.00 0.00 175.10 173.43 2fs8 n SER 115 N -0.86 -1.27 0.19 4.85 3.41 -0.38 -4.97 113.62 114.58 2fs8 n SER 115 Ca 0.01 -2.19 0.14 0.00 -0.26 0.00 0.00 58.87 56.57 2fs8 n SER 115 Cb 0.54 2.21 0.53 0.00 -0.26 0.00 0.00 64.21 67.23 2fs8 n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fs8 h SER 116 N 1.35 0.00 0.43 4.04 4.64 -2.01 -2.58 113.55 119.42 2fs8 h SER 116 Ca -0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 2fs8 h SER 116 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 2fs8 h SER 116 CO 0.27 0.00 -1.66 1.57 -0.87 0.00 0.00 176.83 176.15 2fs8 n HIS 117 N -2.61 0.49 -3.50 4.77 -0.00 -1.26 -4.80 115.22 108.31 2fs8 n HIS 117 Ca 0.02 0.15 -0.28 0.00 -0.00 0.00 0.00 57.72 57.62 2fs8 n HIS 117 Cb 0.30 -0.83 -0.14 0.00 -0.00 0.00 0.00 29.99 29.32 2fs8 n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2fs8 s VAL 118 N -3.19 -0.05 0.33 3.57 1.01 -0.97 -4.50 120.40 116.59 2fs8 s VAL 118 Ca -0.05 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2fs8 s VAL 118 Cb 0.10 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2fs8 s VAL 118 CO 0.84 -0.77 0.35 -1.38 0.00 0.00 0.00 175.10 174.14 2fs8 s HIS 119 N 1.83 1.47 0.65 5.22 -3.43 -1.11 -1.25 115.29 118.68 2fs8 s HIS 119 Ca 0.12 -1.51 -0.11 0.00 -0.80 0.00 0.00 55.06 52.75 2fs8 s HIS 119 Cb -0.18 -0.47 -0.02 0.00 -1.43 0.00 0.00 32.58 30.49 2fs8 s HIS 119 CO -0.26 -0.96 1.05 0.95 -2.00 0.00 0.00 174.74 173.53 2fs8 s THR 120 N -3.33 4.19 0.06 -5.38 -4.23 -1.26 -3.03 115.64 102.66 2fs8 s THR 120 Ca 0.37 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 61.58 2fs8 s THR 120 Cb 0.02 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2fs8 s THR 120 CO 0.24 -0.92 0.16 0.54 -0.54 0.00 0.00 174.62 174.10 2fs8 s VAL 121 N -3.25 5.08 -0.06 2.29 0.11 -0.28 -4.83 120.40 119.46 2fs8 s VAL 121 Ca 0.56 -0.49 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 2fs8 s VAL 121 Cb -0.11 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2fs8 s VAL 121 CO 0.53 0.16 0.72 -0.89 -3.33 0.00 0.00 175.10 172.29 2fs8 s THR 122 N -1.44 5.03 0.27 5.04 2.01 -1.25 -4.70 115.64 120.60 2fs8 s THR 122 Ca 0.32 1.49 -0.18 0.00 0.31 0.00 0.00 61.69 63.63 2fs8 s THR 122 Cb -0.13 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 2fs8 s THR 122 CO 0.25 0.24 0.74 -0.76 -0.69 0.00 0.00 174.62 174.40 2fs8 s LEU 123 N 0.83 4.23 0.68 4.42 1.43 -1.26 -1.23 118.68 127.79 2fs8 s LEU 123 Ca 0.39 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.76 2fs8 s LEU 123 Cb -0.18 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2fs8 s LEU 123 CO 0.19 -0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.60 2fs8 s PRO 124 N -2.37 2.97 0.44 1.29 0.04 -1.26 -4.85 135.00 131.26 2fs8 s PRO 124 Ca 0.48 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 2fs8 s PRO 124 Cb -0.14 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 2fs8 s PRO 124 CO 0.20 -1.08 1.08 -1.25 0.04 0.00 0.00 177.00 175.99 2fs8 s PRO 125 N -4.92 3.96 0.49 0.56 0.04 -1.26 -4.88 135.00 128.98 2fs8 s PRO 125 Ca 0.59 1.55 0.16 0.00 0.04 0.00 0.00 61.00 63.34 2fs8 s PRO 125 Cb -0.14 -2.39 0.87 0.00 0.04 0.00 0.00 34.50 32.88 2fs8 s PRO 125 CO 0.53 -0.33 1.42 0.00 0.04 0.00 0.00 177.00 178.66 2fs8 h ALA 126 N 2.14 1.38 -0.02 8.56 0.00 -1.96 0.44 119.26 129.80 2fs8 h ALA 126 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fs8 h ALA 126 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2fs8 h ALA 126 CO 0.61 -0.38 -0.32 -1.13 0.00 0.00 0.00 179.25 178.04 2fs8 n SER 127 N -2.37 2.09 -4.74 0.00 3.41 -1.26 -4.94 113.62 105.80 2fs8 n SER 127 Ca -0.01 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.64 2fs8 n SER 127 Cb 0.47 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 2fs8 n SER 127 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fs8 s GLU 128 N -2.35 4.22 -0.13 4.33 2.56 0.14 -4.93 118.70 122.53 2fs8 s GLU 128 Ca 0.22 2.39 0.07 0.00 0.00 0.00 0.00 54.97 57.66 2fs8 s GLU 128 Cb 0.19 -3.09 -0.13 0.00 2.00 0.00 0.00 34.13 33.09 2fs8 s GLU 128 CO 0.49 -0.51 -0.03 -2.37 -0.56 0.00 0.00 175.26 172.28 2fs8 n THR 129 N 2.58 0.85 -3.06 -1.70 5.66 -1.26 -4.94 114.28 112.42 2fs8 n THR 129 Ca 0.08 -0.45 -0.07 0.00 -3.05 0.00 0.00 64.05 60.57 2fs8 n THR 129 Cb 0.39 -0.82 0.03 0.00 -1.55 0.00 0.00 70.33 68.39 2fs8 n THR 129 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2fs8 n PHE 130 N -2.64 -2.58 -1.57 1.09 3.72 -1.26 -4.99 117.46 109.24 2fs8 n PHE 130 Ca -0.23 0.95 -0.31 0.00 -0.05 0.00 0.00 57.45 57.81 2fs8 n PHE 130 Cb 0.86 -4.01 0.06 0.00 -0.94 0.00 0.00 39.48 35.44 2fs8 n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs8 s PRO 131 N -3.65 2.83 0.32 -1.08 0.04 -1.26 -4.91 135.00 127.29 2fs8 s PRO 131 Ca 0.22 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 2fs8 s PRO 131 Cb -0.03 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 2fs8 s PRO 131 CO 0.70 -1.17 1.13 -2.30 0.04 0.00 0.00 177.00 175.41 2fs8 n PRO 132 N -3.17 1.69 0.00 0.56 -0.02 -1.26 -1.97 135.00 130.83 2fs8 n PRO 132 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2fs8 n PRO 132 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2fs8 n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fs8 n GLY 133 N 1.02 0.37 3.80 -1.23 0.00 -1.26 -5.05 105.19 102.84 2fs8 n GLY 133 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2fs8 n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fs8 s MET 134 N -1.00 4.38 -0.52 1.61 0.00 -0.83 -5.00 119.30 117.94 2fs8 s MET 134 Ca 0.00 1.08 -0.28 0.00 0.00 0.00 0.00 55.69 56.48 2fs8 s MET 134 Cb 0.00 -2.76 0.03 0.00 0.00 0.00 0.00 34.83 32.10 2fs8 s MET 134 CO 0.00 0.29 1.15 -2.14 0.00 0.00 0.00 175.02 174.32 2fs8 s PRO 135 N -2.18 3.63 0.09 4.11 0.02 -1.26 -4.62 135.00 134.79 2fs8 s PRO 135 Ca 0.48 0.41 0.07 0.00 0.02 0.00 0.00 61.00 61.98 2fs8 s PRO 135 Cb -0.16 -3.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.37 2fs8 s PRO 135 CO 0.21 -1.50 -0.17 0.00 -0.33 0.00 0.00 177.00 175.21 2fs8 s TRP 137 N -1.34 0.78 -0.02 0.00 0.52 0.82 -1.87 118.94 117.82 2fs8 s TRP 137 Ca 0.04 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.65 2fs8 s TRP 137 Cb -0.09 -0.46 -0.01 0.00 -1.15 0.00 0.00 33.47 31.77 2fs8 s TRP 137 CO 0.03 -0.07 -0.12 0.54 0.02 0.00 0.00 176.95 177.35 2fs8 s VAL 138 N -1.63 1.00 0.20 4.03 0.11 -0.89 -0.66 120.40 122.56 2fs8 s VAL 138 Ca -0.06 -0.52 0.05 0.00 -2.93 0.00 0.00 61.98 58.52 2fs8 s VAL 138 Cb -0.08 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2fs8 s VAL 138 CO 0.00 0.29 -0.06 0.42 -3.33 0.00 0.00 175.10 172.42 2fs8 s THR 139 N -0.15 1.25 0.00 5.04 -4.23 -1.22 -1.83 115.64 114.51 2fs8 s THR 139 Ca 0.02 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2fs8 s THR 139 Cb -0.06 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2fs8 s THR 139 CO 0.00 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2fs8 n GLY 140 N -0.35 0.49 1.42 3.99 0.00 -0.81 -4.54 105.19 105.39 2fs8 n GLY 140 Ca -0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 2fs8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fs8 n TRP 141 N -1.19 1.63 -1.63 1.61 8.01 -1.26 -2.14 117.44 122.46 2fs8 n TRP 141 Ca 0.00 -1.22 -0.30 0.00 -1.31 0.00 0.00 57.50 54.67 2fs8 n TRP 141 Cb 0.00 -0.52 0.21 0.00 -2.01 0.00 0.00 31.31 28.98 2fs8 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2fs8 s GLY 142 N -1.73 1.71 0.51 6.99 0.00 -1.25 -4.69 107.32 108.85 2fs8 s GLY 142 Ca 0.48 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.86 2fs8 s GLY 142 CO 0.08 -0.31 1.00 1.22 0.00 0.00 0.00 173.10 175.10 2fs8 n ASP 143 N -4.14 1.11 -0.27 1.64 8.00 0.73 -2.73 116.55 120.90 2fs8 n ASP 143 Ca 0.15 0.93 0.14 0.00 0.71 0.00 0.00 54.79 56.72 2fs8 n ASP 143 Cb 0.59 -1.38 0.58 0.00 -0.02 0.00 0.00 41.12 40.89 2fs8 n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2fs8 n VAL 144 N -1.05 0.00 -3.65 2.53 0.24 0.03 -1.46 118.33 114.97 2fs8 n VAL 144 Ca 0.11 -0.14 0.02 0.00 -2.04 0.00 0.00 64.34 62.29 2fs8 n VAL 144 Cb 0.43 0.17 -0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2fs8 n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2fs8 s ASP 145 N -2.23 -0.04 -0.13 -1.34 -1.08 -1.20 -4.45 116.67 106.21 2fs8 s ASP 145 Ca 0.34 -0.12 -0.35 0.00 -0.52 0.00 0.00 52.55 51.91 2fs8 s ASP 145 Cb 0.21 0.13 -0.12 0.00 -1.46 0.00 0.00 42.92 41.67 2fs8 s ASP 145 CO 0.41 -0.24 1.89 0.59 0.52 0.00 0.00 175.17 178.34 2fs8 n ASN 146 N -0.56 3.28 -1.75 -0.34 3.02 -1.26 -1.31 115.26 116.34 2fs8 n ASN 146 Ca -0.08 0.95 -0.19 0.00 -0.03 0.00 0.00 54.58 55.23 2fs8 n ASN 146 Cb 0.63 -1.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.40 2fs8 n ASN 146 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2fs8 n ASP 147 N 6.73 -5.41 -3.81 6.41 -0.08 -1.26 -4.95 116.55 114.19 2fs8 n ASP 147 Ca 0.24 0.29 -0.30 0.00 -1.51 0.00 0.00 54.79 53.51 2fs8 n ASP 147 Cb 0.28 -4.54 -0.14 0.00 2.34 0.00 0.00 41.12 39.05 2fs8 n ASP 147 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2fs8 s GLU 149 N -4.14 1.12 0.75 -0.67 2.12 -0.43 -5.10 118.70 112.34 2fs8 s GLU 149 Ca 0.00 -1.60 -0.13 0.00 0.36 0.00 0.00 54.97 53.60 2fs8 s GLU 149 Cb 0.00 -2.44 0.05 0.00 0.26 0.00 0.00 34.13 32.00 2fs8 s GLU 149 CO 0.00 -1.03 1.14 1.03 -0.54 0.00 0.00 175.26 175.86 2fs8 s ARG 150 N 1.00 2.18 0.00 4.30 1.81 -1.26 -0.79 118.95 126.20 2fs8 s ARG 150 Ca 0.13 1.47 0.00 0.00 -1.72 0.00 0.00 55.73 55.60 2fs8 s ARG 150 Cb -0.20 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.43 2fs8 s ARG 150 CO -0.13 -1.74 0.00 -0.11 -0.68 0.00 0.00 175.30 172.64 2fs8 n LEU 151 N -3.07 0.00 -0.27 2.53 7.94 -1.26 -4.52 117.00 118.34 2fs8 n LEU 151 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2fs8 n LEU 151 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2fs8 n LEU 151 CO 0.49 -0.45 0.00 -0.81 -1.11 0.00 0.00 177.39 175.51 2fs8 n PRO 152 N -0.35 0.00 -2.95 1.96 -0.04 -1.26 -5.01 135.00 127.35 2fs8 n PRO 152 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2fs8 n PRO 152 Cb 0.00 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 2fs8 n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fs8 n PHE 153 N 0.00 -2.86 -2.92 0.54 3.72 -1.26 -3.82 117.46 110.86 2fs8 n PHE 153 Ca 0.00 1.10 -0.32 0.00 -0.05 0.00 0.00 57.45 58.18 2fs8 n PHE 153 Cb 0.00 -3.97 -0.06 0.00 -0.94 0.00 0.00 39.48 34.52 2fs8 n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs8 s PRO 154 N -2.96 4.02 0.10 -1.08 0.04 -1.26 -1.39 135.00 132.48 2fs8 s PRO 154 Ca 0.02 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.54 2fs8 s PRO 154 Cb -0.01 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 2fs8 s PRO 154 CO 0.71 0.02 1.41 -1.17 0.04 0.00 0.00 177.00 178.02 2fs8 s LEU 155 N -3.31 4.36 0.32 -3.56 2.96 -1.03 -4.78 118.68 113.65 2fs8 s LEU 155 Ca 0.56 2.33 0.08 0.00 -0.22 0.00 0.00 54.13 56.89 2fs8 s LEU 155 Cb -0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2fs8 s LEU 155 CO 0.20 -0.68 0.11 -0.54 -1.32 0.00 0.00 176.35 174.12 2fs8 s LYS 156 N 1.30 2.37 0.00 1.98 1.02 -0.91 -0.79 119.74 124.71 2fs8 s LYS 156 Ca 0.65 -1.51 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 2fs8 s LYS 156 Cb -0.37 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2fs8 s LYS 156 CO 0.30 0.17 0.08 1.14 -0.92 0.00 0.00 175.35 176.12 2fs8 s GLN 157 N -3.81 0.38 -0.13 1.68 -2.07 -0.97 -1.93 119.66 112.81 2fs8 s GLN 157 Ca 0.36 -0.40 -0.15 0.00 -1.82 0.00 0.00 55.36 53.35 2fs8 s GLN 157 Cb -0.03 0.15 0.04 0.00 -1.09 0.00 0.00 33.01 32.08 2fs8 s GLN 157 CO 0.22 -0.08 0.41 0.54 -1.32 0.00 0.00 175.29 175.06 2fs8 s VAL 158 N -1.23 0.01 -0.20 3.63 0.11 -0.76 -2.47 120.40 119.48 2fs8 s VAL 158 Ca -0.13 -0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 58.59 2fs8 s VAL 158 Cb -0.08 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2fs8 s VAL 158 CO 0.01 -0.04 0.85 -0.75 -3.33 0.00 0.00 175.10 171.84 2fs8 s LYS 159 N -0.07 4.25 -0.10 1.54 2.20 -1.26 -2.10 119.74 124.19 2fs8 s LYS 159 Ca -0.03 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.63 2fs8 s LYS 159 Cb -0.03 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2fs8 s LYS 159 CO 0.02 -0.44 -0.17 0.14 -0.36 0.00 0.00 175.35 174.54 2fs8 s VAL 160 N 2.54 2.77 -0.01 4.02 -7.23 -0.78 -4.90 120.40 116.80 2fs8 s VAL 160 Ca 0.37 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 2fs8 s VAL 160 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2fs8 s VAL 160 CO 0.10 0.55 1.13 -2.16 -0.31 0.00 0.00 175.10 174.40 2fs8 s PRO 161 N 0.04 4.43 0.06 4.82 0.04 -1.26 -4.29 135.00 138.85 2fs8 s PRO 161 Ca -0.06 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 2fs8 s PRO 161 Cb -0.15 -3.47 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 2fs8 s PRO 161 CO 0.05 -0.28 0.63 0.42 0.04 0.00 0.00 177.00 177.86 2fs8 s ILE 162 N 1.55 4.72 0.13 0.56 1.01 -1.26 -0.75 121.20 127.17 2fs8 s ILE 162 Ca 0.55 1.36 0.06 0.00 0.00 0.00 0.00 60.65 62.62 2fs8 s ILE 162 Cb -0.25 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2fs8 s ILE 162 CO 0.25 0.49 -0.15 -0.04 0.00 0.00 0.00 174.94 175.49 2fs8 s MET 163 N -0.74 1.08 0.44 2.79 -1.94 -1.08 -4.10 119.30 115.74 2fs8 s MET 163 Ca 0.32 -1.28 -0.25 0.00 -1.71 0.00 0.00 55.69 52.76 2fs8 s MET 163 Cb -0.20 -0.99 -0.08 0.00 2.01 0.00 0.00 34.83 35.57 2fs8 s MET 163 CO 0.20 0.19 1.37 -1.21 -0.01 0.00 0.00 175.02 175.56 2fs8 s GLU 164 N -2.72 3.78 0.22 2.03 2.02 -1.26 -4.43 118.70 118.34 2fs8 s GLU 164 Ca 0.11 2.29 -0.09 0.00 0.02 0.00 0.00 54.97 57.29 2fs8 s GLU 164 Cb -0.05 -2.68 0.34 0.00 0.10 0.00 0.00 34.13 31.84 2fs8 s GLU 164 CO 0.04 -0.69 1.66 -0.91 0.02 0.00 0.00 175.26 175.38 2fs8 h ASN 165 N 2.43 -0.25 0.23 -0.19 -0.26 -1.93 -0.91 115.58 114.70 2fs8 h ASN 165 Ca -0.50 0.16 -0.02 0.00 -0.56 0.00 0.00 56.30 55.37 2fs8 h ASN 165 Cb 1.26 0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 38.79 2fs8 h ASN 165 CO 0.62 -0.12 -0.11 1.12 -1.06 0.00 0.00 177.43 177.88 2fs8 h HIS 166 N 0.13 0.00 -0.29 1.19 2.07 -1.92 0.51 115.15 116.85 2fs8 h HIS 166 Ca 0.35 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.70 2fs8 h HIS 166 Cb 0.58 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.56 2fs8 h HIS 166 CO -0.36 0.11 -0.49 0.82 -3.07 0.00 0.00 177.93 174.93 2fs8 h ILE 167 N 0.00 1.28 -0.10 6.12 1.08 -1.54 -2.09 117.51 122.26 2fs8 h ILE 167 Ca -0.00 -1.68 -0.21 0.00 -0.39 0.00 0.00 64.86 62.58 2fs8 h ILE 167 Cb 0.25 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2fs8 h ILE 167 CO 0.01 0.55 -0.79 0.00 -0.69 0.00 0.00 178.15 177.23 2fs8 h ASP 169 N 0.41 1.14 -0.51 0.00 3.58 -0.83 -0.35 116.42 119.87 2fs8 h ASP 169 Ca -0.05 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 2fs8 h ASP 169 Cb 1.40 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 2fs8 h ASP 169 CO 0.15 0.82 -0.03 0.00 -2.88 0.00 0.00 179.24 177.30 2fs8 h ALA 170 N 1.38 0.69 -0.81 -0.78 0.00 -1.31 -2.83 119.26 115.59 2fs8 h ALA 170 Ca 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2fs8 h ALA 170 Cb -0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2fs8 h ALA 170 CO -0.09 0.52 0.38 0.87 0.00 0.00 0.00 179.25 180.94 2fs8 h LYS 171 N 0.78 1.18 0.00 0.00 1.57 -0.90 -2.05 116.57 117.14 2fs8 h LYS 171 Ca 0.14 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2fs8 h LYS 171 Cb 0.56 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2fs8 h LYS 171 CO 0.03 0.91 0.00 1.88 -0.57 0.00 0.00 179.45 181.70 2fs8 h TYR 172 N 1.16 0.00 0.00 -1.35 -1.99 -0.85 -1.05 116.97 112.89 2fs8 h TYR 172 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 2fs8 h TYR 172 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2fs8 h TYR 172 CO 0.01 0.00 -0.35 0.72 -0.00 0.00 0.00 178.16 178.54 2fs8 n HIS 173 N -2.99 0.49 -2.40 4.88 8.25 -0.78 -4.71 115.22 117.96 2fs8 n HIS 173 Ca -0.01 0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 2fs8 n HIS 173 Cb 0.18 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.61 2fs8 n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fs8 s LEU 173 N -3.94 4.38 -0.64 2.41 1.43 -0.40 -2.86 118.68 119.06 2fs8 s LEU 173 Ca 0.09 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2fs8 s LEU 173 Cb 0.15 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2fs8 s LEU 173 CO 0.66 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2fs8 n GLY 173 N 3.14 0.31 3.06 -3.19 0.00 -1.26 -5.03 105.19 102.21 2fs8 n GLY 173 Ca 0.09 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 2fs8 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs8 s ALA 173 N -2.33 0.34 -0.26 4.61 0.00 -1.14 -5.05 121.76 117.94 2fs8 s ALA 173 Ca 0.00 -0.96 0.19 0.00 0.00 0.00 0.00 51.96 51.18 2fs8 s ALA 173 Cb 0.00 0.23 0.13 0.00 0.00 0.00 0.00 23.12 23.49 2fs8 s ALA 173 CO 0.00 -0.30 1.39 1.88 0.00 0.00 0.00 175.76 178.73 2fs8 h TYR 173 N 3.65 0.00 -2.24 0.00 0.05 -1.96 -3.47 116.97 113.01 2fs8 h TYR 173 Ca -0.33 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.84 2fs8 h TYR 173 Cb 1.17 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.97 2fs8 h TYR 173 CO 0.57 0.28 0.63 2.41 -1.05 0.00 0.00 178.16 181.00 2fs8 n THR 173 N -3.08 0.34 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.19 2fs8 n THR 173 Ca 0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2fs8 n THR 173 Cb 0.65 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 2fs8 n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fs8 n GLY 173 N 2.76 -3.17 0.00 3.41 0.00 -1.26 -4.95 105.19 101.98 2fs8 n GLY 173 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2fs8 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs8 n ASP 173 N 0.00 0.00 -4.34 1.61 8.00 -1.26 -4.72 116.55 115.84 2fs8 n ASP 173 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.05 2fs8 n ASP 173 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2fs8 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fs8 s VAL 173 N 0.00 5.01 0.03 2.53 1.01 -1.26 -5.03 120.40 122.68 2fs8 s VAL 173 Ca 0.00 -1.26 -0.36 0.00 0.00 0.00 0.00 61.98 60.36 2fs8 s VAL 173 Cb 0.00 -4.42 -0.15 0.00 0.00 0.00 0.00 36.38 31.80 2fs8 s VAL 173 CO 0.00 -1.01 1.51 0.54 0.00 0.00 0.00 175.10 176.14 2fs8 n ARG 174 N 5.80 1.47 -0.05 2.72 5.12 -1.26 -4.93 116.66 125.52 2fs8 n ARG 174 Ca -0.11 0.53 -0.06 0.00 -1.93 0.00 0.00 57.85 56.28 2fs8 n ARG 174 Cb 0.41 -2.23 -0.02 0.00 -1.16 0.00 0.00 32.46 29.46 2fs8 n ARG 174 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2fs8 n ILE 175 N 3.31 1.26 -2.65 0.55 5.41 -1.26 -4.84 119.36 121.13 2fs8 n ILE 175 Ca 0.20 0.23 -0.43 0.00 1.00 0.00 0.00 62.75 63.74 2fs8 n ILE 175 Cb 0.21 -2.07 -0.03 0.00 -0.71 0.00 0.00 39.64 37.05 2fs8 n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fs8 s VAL 176 N -2.48 4.25 0.68 1.39 1.01 -1.26 -5.00 120.40 118.98 2fs8 s VAL 176 Ca -0.19 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.77 2fs8 s VAL 176 Cb 0.03 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.86 2fs8 s VAL 176 CO 0.29 -1.01 1.02 -0.13 0.00 0.00 0.00 175.10 175.27 2fs8 s ARG 177 N 4.33 2.64 0.47 2.72 0.52 -1.26 -4.84 118.95 123.53 2fs8 s ARG 177 Ca 0.45 0.11 0.14 0.00 -0.52 0.00 0.00 55.73 55.91 2fs8 s ARG 177 Cb -0.08 -2.13 1.07 0.00 0.52 0.00 0.00 34.95 34.33 2fs8 s ARG 177 CO 0.30 -1.02 2.05 -0.44 0.02 0.00 0.00 175.30 176.21 2fs8 h ASP 178 N -0.52 0.05 -0.25 0.23 3.32 -1.98 -1.03 116.42 116.24 2fs8 h ASP 178 Ca -0.45 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 2fs8 h ASP 178 Cb 1.28 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 2fs8 h ASP 178 CO 0.62 0.14 0.06 -0.90 -1.72 0.00 0.00 179.24 177.45 2fs8 n ASP 179 N -4.41 2.86 -4.37 6.45 5.75 -1.26 -4.84 116.55 116.73 2fs8 n ASP 179 Ca -0.02 -2.40 -0.19 0.00 -0.01 0.00 0.00 54.79 52.17 2fs8 n ASP 179 Cb 0.18 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.58 2fs8 n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fs8 s MET 180 N -1.52 1.40 0.00 0.11 -1.94 -0.39 -1.45 119.30 115.52 2fs8 s MET 180 Ca 0.20 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.52 2fs8 s MET 180 Cb 0.16 -1.08 -0.00 0.00 2.01 0.00 0.00 34.83 35.91 2fs8 s MET 180 CO 0.05 0.11 -0.01 -1.17 -0.01 0.00 0.00 175.02 173.99 2fs8 s LEU 181 N -3.36 2.06 0.04 -0.03 0.20 0.32 -4.58 118.68 113.34 2fs8 s LEU 181 Ca 0.25 -0.12 0.09 0.00 0.69 0.00 0.00 54.13 55.04 2fs8 s LEU 181 Cb 0.01 -0.00 -0.03 0.00 -0.43 0.00 0.00 46.19 45.74 2fs8 s LEU 181 CO 0.09 -0.06 -0.25 0.00 -0.29 0.00 0.00 176.35 175.84 2fs8 s ALA 183 N -0.80 -1.02 0.00 0.00 0.00 -0.68 -2.65 121.76 116.61 2fs8 s ALA 183 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2fs8 s ALA 183 Cb -0.10 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2fs8 s ALA 183 CO 0.02 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2fs8 n GLY 184 N -0.26 1.71 0.00 0.00 0.00 0.08 -1.71 105.19 105.00 2fs8 n GLY 184 Ca -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2fs8 n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fs8 n ASN 185 N -0.12 0.00 0.00 1.61 0.23 0.35 -4.58 115.26 112.74 2fs8 n ASN 185 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 2fs8 n ASN 185 Cb 0.00 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.19 2fs8 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2fs8 n THR 186 N 0.00 0.32 0.00 5.53 -2.24 -1.26 -3.13 114.28 113.50 2fs8 n THR 186 Ca 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2fs8 n THR 186 Cb 0.00 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2fs8 n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fs8 n ARG 187 N -1.20 3.80 -3.81 -0.78 1.74 -1.26 -4.84 116.66 110.30 2fs8 n ARG 187 Ca 0.10 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.96 2fs8 n ARG 187 Cb 0.12 -0.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.89 2fs8 n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fs8 s ARG 188 N -0.89 0.55 0.15 5.56 0.52 -1.18 -3.80 118.95 119.86 2fs8 s ARG 188 Ca 0.00 0.11 -0.25 0.00 -0.52 0.00 0.00 55.73 55.07 2fs8 s ARG 188 Cb 0.00 -0.89 0.07 0.00 0.52 0.00 0.00 34.95 34.65 2fs8 s ARG 188 CO 0.00 -0.27 0.99 0.34 0.02 0.00 0.00 175.30 176.38 2fs8 s ASP 189 N 1.81 -0.14 0.42 0.23 -1.08 -0.99 -0.50 116.67 116.41 2fs8 s ASP 189 Ca 0.02 -0.42 0.08 0.00 -0.52 0.00 0.00 52.55 51.70 2fs8 s ASP 189 Cb -0.13 0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.81 2fs8 s ASP 189 CO -0.04 -0.88 0.57 -0.94 0.52 0.00 0.00 175.17 174.40 2fs8 s SER 190 N -3.00 5.68 0.23 -0.34 1.04 -1.26 -0.18 113.70 115.88 2fs8 s SER 190 Ca 0.14 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2fs8 s SER 190 Cb -0.01 -0.74 0.01 0.00 0.10 0.00 0.00 66.02 65.38 2fs8 s SER 190 CO 0.02 -0.74 0.34 0.00 0.98 0.00 0.00 173.24 173.85 2fs8 n GLN 192 N -0.38 1.40 0.00 0.00 3.00 -1.26 -0.84 117.38 119.30 2fs8 n GLN 192 Ca -0.00 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2fs8 n GLN 192 Cb 0.38 -2.19 0.00 0.00 0.00 0.00 0.00 30.24 28.44 2fs8 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fs8 n GLY 193 N 2.95 1.85 0.05 1.08 0.00 -1.26 -0.19 105.19 109.67 2fs8 n GLY 193 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2fs8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs8 n ASP 194 N 0.00 0.57 -4.58 1.61 8.00 -0.02 -3.96 116.55 118.17 2fs8 n ASP 194 Ca 0.00 -0.05 -0.51 0.00 0.71 0.00 0.00 54.79 54.94 2fs8 n ASP 194 Cb 0.00 0.91 -0.05 0.00 -0.02 0.00 0.00 41.12 41.95 2fs8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2fs8 n SER 195 N -2.18 1.46 0.00 -2.24 7.64 -1.26 -1.49 113.62 115.55 2fs8 n SER 195 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2fs8 n SER 195 Cb 0.49 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2fs8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fs8 n GLY 196 N 2.31 2.01 3.77 0.23 0.00 -0.28 -0.62 105.19 112.61 2fs8 n GLY 196 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2fs8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fs8 s GLY 197 N -2.41 1.70 0.34 -0.02 0.00 -0.55 -3.37 107.32 103.01 2fs8 s GLY 197 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 2fs8 s GLY 197 CO 0.00 -0.29 0.63 2.56 0.00 0.00 0.00 173.10 176.01 2fs8 s PRO 198 N -5.70 3.65 -0.26 2.90 0.04 -1.26 -2.19 135.00 132.18 2fs8 s PRO 198 Ca 0.73 0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.88 2fs8 s PRO 198 Cb -0.06 -2.56 0.08 0.00 0.04 0.00 0.00 34.50 32.00 2fs8 s PRO 198 CO 0.54 0.10 0.03 -1.17 0.04 0.00 0.00 177.00 176.55 2fs8 s LEU 199 N -3.80 2.40 0.02 -3.56 0.20 -0.41 -3.41 118.68 110.11 2fs8 s LEU 199 Ca 0.46 -1.36 0.04 0.00 0.69 0.00 0.00 54.13 53.95 2fs8 s LEU 199 Cb -0.10 -1.00 -0.03 0.00 -0.43 0.00 0.00 46.19 44.62 2fs8 s LEU 199 CO 0.32 -0.33 -0.07 0.68 -0.29 0.00 0.00 176.35 176.66 2fs8 s VAL 200 N 1.51 3.59 -0.02 1.68 -7.23 0.17 -0.73 120.40 119.37 2fs8 s VAL 200 Ca 0.02 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2fs8 s VAL 200 Cb -0.18 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2fs8 s VAL 200 CO -0.13 0.35 -0.08 0.00 -0.31 0.00 0.00 175.10 174.94 2fs8 s LYS 202 N 0.22 4.27 -0.27 0.00 2.20 -1.08 -1.80 119.74 123.28 2fs8 s LYS 202 Ca -0.03 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 2fs8 s LYS 202 Cb -0.08 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.71 2fs8 s LYS 202 CO 0.00 -0.44 -0.02 0.08 -0.36 0.00 0.00 175.35 174.62 2fs8 s VAL 203 N 2.52 1.66 -1.10 4.02 1.01 0.16 -4.68 120.40 123.99 2fs8 s VAL 203 Ca 0.39 -1.51 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 2fs8 s VAL 203 Cb -0.16 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2fs8 s VAL 203 CO 0.10 -0.26 0.91 0.59 0.00 0.00 0.00 175.10 176.44 2fs8 n ASN 204 N 4.58 -5.33 0.00 3.32 3.02 -1.26 -2.72 115.26 116.88 2fs8 n ASN 204 Ca -0.08 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2fs8 n ASN 204 Cb 0.43 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 2fs8 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fs8 n GLY 205 N -1.28 0.32 3.23 7.41 0.00 -1.26 -4.97 105.19 108.63 2fs8 n GLY 205 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2fs8 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fs8 s THR 206 N -1.87 1.66 -0.01 2.61 2.01 -1.10 -5.12 115.64 113.82 2fs8 s THR 206 Ca 0.00 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 2fs8 s THR 206 Cb 0.00 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2fs8 s THR 206 CO 0.00 0.45 0.56 0.26 -0.69 0.00 0.00 174.62 175.20 2fs8 s TRP 207 N -0.52 3.68 -0.01 4.92 0.52 -1.26 0.37 118.94 126.65 2fs8 s TRP 207 Ca 0.08 1.15 0.05 0.00 0.02 0.00 0.00 56.10 57.40 2fs8 s TRP 207 Cb -0.08 -2.56 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2fs8 s TRP 207 CO -0.01 0.39 -0.15 -0.51 0.02 0.00 0.00 176.95 176.70 2fs8 s LEU 208 N -0.30 2.02 -0.64 2.99 1.43 -0.75 -3.89 118.68 119.55 2fs8 s LEU 208 Ca 0.29 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 2fs8 s LEU 208 Cb -0.18 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.32 2fs8 s LEU 208 CO 0.16 0.18 1.11 -1.58 0.23 0.00 0.00 176.35 176.45 2fs8 s GLN 209 N -0.33 3.28 0.08 1.70 0.74 -0.36 -1.66 119.66 123.11 2fs8 s GLN 209 Ca 0.05 -0.27 -0.15 0.00 0.05 0.00 0.00 55.36 55.05 2fs8 s GLN 209 Cb -0.06 -4.12 -0.13 0.00 1.10 0.00 0.00 33.01 29.80 2fs8 s GLN 209 CO -0.01 -1.81 1.34 0.00 -0.55 0.00 0.00 175.29 174.26 2fs8 h ALA 210 N 9.65 0.33 -2.94 1.58 0.00 -1.28 -3.39 119.26 123.20 2fs8 h ALA 210 Ca -0.27 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 2fs8 h ALA 210 Cb 1.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2fs8 h ALA 210 CO 1.19 0.49 0.03 0.20 0.00 0.00 0.00 179.25 181.16 2fs8 s GLY 211 N -3.86 0.76 -0.13 0.00 0.00 -0.86 -1.74 107.32 101.49 2fs8 s GLY 211 Ca -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2fs8 s GLY 211 CO 0.85 -0.59 -0.20 0.14 0.00 0.00 0.00 173.10 173.29 2fs8 s VAL 212 N -3.02 2.28 -0.15 1.40 1.01 -0.77 -1.28 120.40 119.87 2fs8 s VAL 212 Ca 0.22 -0.91 -0.37 0.00 0.00 0.00 0.00 61.98 60.91 2fs8 s VAL 212 Cb -0.03 -1.92 -0.14 0.00 0.00 0.00 0.00 36.38 34.29 2fs8 s VAL 212 CO 0.14 0.54 1.77 0.52 0.00 0.00 0.00 175.10 178.07 2fs8 n VAL 213 N 3.91 0.39 0.00 2.92 0.31 -0.93 -1.09 118.33 123.85 2fs8 n VAL 213 Ca -0.19 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2fs8 n VAL 213 Cb 0.52 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2fs8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2fs8 n SER 214 N 5.67 0.00 -2.49 4.52 2.88 -0.99 -1.12 113.62 122.09 2fs8 n SER 214 Ca 0.24 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.68 2fs8 n SER 214 Cb 0.21 -0.03 -0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2fs8 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2fs8 n TRP 215 N -1.83 -1.63 0.00 0.66 4.27 -0.91 -4.88 117.44 113.13 2fs8 n TRP 215 Ca 0.00 -1.67 0.00 0.00 -3.89 0.00 0.00 57.50 51.94 2fs8 n TRP 215 Cb 0.00 0.57 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 2fs8 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2fs8 n GLY 216 N -0.44 1.45 3.49 -1.67 0.00 -1.26 -0.86 105.19 105.91 2fs8 n GLY 216 Ca -0.03 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2fs8 n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fs8 s GLU 217 N -2.00 3.23 2.85 1.61 2.12 -1.26 -4.86 118.70 120.39 2fs8 s GLU 217 Ca 0.00 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2fs8 s GLU 217 Cb 0.00 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.26 2fs8 s GLU 217 CO 0.00 -1.63 0.00 0.41 -0.54 0.00 0.00 175.26 173.50 2fs8 n GLY 219 N 5.21 -0.10 2.77 -1.50 0.00 -1.26 -4.65 105.19 105.66 2fs8 n GLY 219 Ca -0.01 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 2fs8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs8 n ALA 221 N 4.25 -0.69 -2.16 0.00 0.00 -1.26 -4.74 120.51 115.92 2fs8 n ALA 221 Ca -0.26 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 2fs8 n ALA 221 Cb 0.50 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 2fs8 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fs8 s GLN 221 N -4.88 4.06 0.13 0.00 -1.52 -1.26 -4.21 119.66 111.97 2fs8 s GLN 221 Ca 0.00 0.69 -0.34 0.00 -1.95 0.00 0.00 55.36 53.76 2fs8 s GLN 221 Cb 0.00 -2.59 -0.14 0.00 -0.22 0.00 0.00 33.01 30.06 2fs8 s GLN 221 CO 0.00 0.25 1.61 -2.30 -0.25 0.00 0.00 175.29 174.59 2fs8 n PRO 222 N -0.00 2.12 -2.03 2.91 -0.02 -1.26 -1.68 135.00 135.04 2fs8 n PRO 222 Ca 0.01 0.77 -0.19 0.00 -2.02 0.00 0.00 63.50 62.07 2fs8 n PRO 222 Cb 0.52 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 2fs8 n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fs8 n ASN 223 N 3.79 -5.49 -3.19 2.55 5.03 -1.26 -4.92 115.26 111.76 2fs8 n ASN 223 Ca 0.18 0.19 -0.22 0.00 0.87 0.00 0.00 54.58 55.59 2fs8 n ASN 223 Cb 0.28 -4.60 -0.06 0.00 -1.02 0.00 0.00 39.78 34.39 2fs8 n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2fs8 n ARG 224 N -2.69 0.88 -1.36 3.52 5.12 -0.68 -3.77 116.66 117.69 2fs8 n ARG 224 Ca -0.22 -3.34 -0.33 0.00 -1.93 0.00 0.00 57.85 52.04 2fs8 n ARG 224 Cb 0.66 -1.40 0.09 0.00 -1.16 0.00 0.00 32.46 30.65 2fs8 n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2fs8 s PRO 225 N -1.61 2.13 0.54 5.56 0.04 -1.26 -4.30 135.00 136.10 2fs8 s PRO 225 Ca 0.37 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.73 2fs8 s PRO 225 Cb 0.22 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 2fs8 s PRO 225 CO -0.10 -1.79 1.21 0.20 0.04 0.00 0.00 177.00 176.56 2fs8 s GLY 226 N -2.51 2.76 -0.09 0.56 0.00 -0.69 -4.77 107.32 102.58 2fs8 s GLY 226 Ca 0.69 1.01 0.04 0.00 0.00 0.00 0.00 44.72 46.46 2fs8 s GLY 226 CO 0.48 1.44 -0.21 -0.42 0.00 0.00 0.00 173.10 174.39 2fs8 s ILE 227 N -1.56 2.35 0.06 0.90 -1.09 -0.04 -1.69 121.20 120.14 2fs8 s ILE 227 Ca 0.71 -0.93 0.09 0.00 -2.23 0.00 0.00 60.65 58.29 2fs8 s ILE 227 Cb -0.30 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 2fs8 s ILE 227 CO 0.35 0.56 -0.24 -0.31 -1.23 0.00 0.00 174.94 174.07 2fs8 s TYR 228 N 0.13 2.05 0.07 3.97 1.51 0.41 -2.14 117.35 123.34 2fs8 s TYR 228 Ca -0.11 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 2fs8 s TYR 228 Cb -0.16 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 2fs8 s TYR 228 CO 0.06 0.15 1.13 -0.08 -1.11 0.00 0.00 175.55 175.70 2fs8 s THR 229 N -0.87 4.20 -0.46 -0.71 -1.32 -0.25 0.12 115.64 116.35 2fs8 s THR 229 Ca 0.10 1.63 -0.28 0.00 -1.21 0.00 0.00 61.69 61.93 2fs8 s THR 229 Cb -0.09 -4.04 -0.01 0.00 -1.51 0.00 0.00 72.50 66.84 2fs8 s THR 229 CO 0.03 0.16 1.67 -0.60 -2.21 0.00 0.00 174.62 173.67 2fs8 s ARG 230 N 0.78 3.20 0.22 7.08 3.52 -0.53 -1.85 118.95 131.37 2fs8 s ARG 230 Ca 0.55 0.96 -0.08 0.00 -0.13 0.00 0.00 55.73 57.04 2fs8 s ARG 230 Cb -0.27 -4.20 0.30 0.00 -1.56 0.00 0.00 34.95 29.22 2fs8 s ARG 230 CO 0.30 -2.04 1.79 0.28 -0.81 0.00 0.00 175.30 174.82 2fs8 h VAL 231 N 6.69 0.89 -0.53 7.11 2.07 -1.61 -2.17 116.25 128.69 2fs8 h VAL 231 Ca -0.29 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.15 2fs8 h VAL 231 Cb 1.14 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2fs8 h VAL 231 CO 1.11 0.12 0.38 0.71 0.02 0.00 0.00 177.57 179.91 2fs8 h THR 232 N 0.63 0.76 0.00 2.57 1.35 -1.86 -0.43 112.91 115.92 2fs8 h THR 232 Ca 0.33 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 66.13 2fs8 h THR 232 Cb 0.31 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 2fs8 h THR 232 CO -0.24 0.01 -0.21 0.22 -0.25 0.00 0.00 175.52 175.05 2fs8 h TYR 233 N 0.06 0.00 -0.27 4.73 5.03 -1.75 -3.21 116.97 121.56 2fs8 h TYR 233 Ca 0.25 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.56 2fs8 h TYR 233 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.20 2fs8 h TYR 233 CO -0.00 0.21 0.00 0.66 -1.32 0.00 0.00 178.16 177.71 2fs8 n TYR 234 N -3.85 0.72 -0.16 -3.82 4.01 -0.19 -4.72 117.16 109.15 2fs8 n TYR 234 Ca -0.02 -0.75 -0.03 0.00 -0.16 0.00 0.00 57.90 56.95 2fs8 n TYR 234 Cb 0.31 -0.21 0.07 0.00 -0.31 0.00 0.00 39.34 39.20 2fs8 n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fs8 h LEU 235 N 1.75 0.12 -0.75 7.72 3.38 -1.53 -1.28 115.31 124.72 2fs8 h LEU 235 Ca 0.00 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2fs8 h LEU 235 Cb 1.17 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 2fs8 h LEU 235 CO 0.13 0.09 0.42 0.44 0.09 0.00 0.00 178.44 179.61 2fs8 h ASP 236 N 0.31 0.60 0.15 -0.43 3.45 -1.86 -1.08 116.42 117.56 2fs8 h ASP 236 Ca 0.25 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.74 2fs8 h ASP 236 Cb 0.29 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2fs8 h ASP 236 CO -0.28 0.36 -0.07 -0.25 -1.57 0.00 0.00 179.24 177.43 2fs8 h TRP 237 N 0.73 -0.19 -0.61 4.55 7.01 -1.72 -2.79 115.95 122.92 2fs8 h TRP 237 Ca 0.35 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.47 2fs8 h TRP 237 Cb 0.29 0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 27.32 2fs8 h TRP 237 CO -0.08 0.04 0.13 0.82 -2.79 0.00 0.00 178.44 176.56 2fs8 h ILE 238 N -0.39 0.62 0.00 2.65 2.04 -0.86 0.11 117.51 121.68 2fs8 h ILE 238 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2fs8 h ILE 238 Cb 0.31 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2fs8 h ILE 238 CO 0.03 0.05 0.00 1.41 0.00 0.00 0.00 178.15 179.64 2fs8 n HIS 239 N -5.14 0.00 0.58 1.37 8.25 -0.44 -0.50 115.22 119.34 2fs8 n HIS 239 Ca 0.09 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.68 2fs8 n HIS 239 Cb 0.34 -0.20 0.38 0.00 1.12 0.00 0.00 29.99 31.63 2fs8 n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fs8 h HIS 240 N 0.00 0.00 0.00 4.41 -0.00 -0.69 -3.39 115.15 115.48 2fs8 h HIS 240 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2fs8 h HIS 240 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2fs8 h HIS 240 CO 0.00 0.00 -0.96 0.66 -0.00 0.00 0.00 177.93 177.63 2fs8 n TYR 241 N -2.35 0.00 -3.19 5.26 4.01 -0.37 -5.00 117.16 115.52 2fs8 n TYR 241 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 2fs8 n TYR 241 Cb 0.44 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.41 2fs8 n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fs8 s VAL 242 N -1.98 4.97 0.70 -0.72 1.01 0.34 -5.04 120.40 119.68 2fs8 s VAL 242 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 2fs8 s VAL 242 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2fs8 s VAL 242 CO 0.00 -0.26 1.12 -0.81 0.00 0.00 0.00 175.10 175.15 2fs8 n PRO 243 N 5.86 0.68 0.00 2.72 -0.04 -1.26 -4.36 135.00 138.60 2fs8 n PRO 243 Ca -0.03 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2fs8 n PRO 243 Cb 0.49 -2.36 0.23 0.00 -0.04 0.00 0.00 33.50 31.82 2fs8 n PRO 243 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09