#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe8 s VAL 2 N 0.00 4.53 -0.25 2.53 1.01 -1.26 -3.88 120.40 123.08 1fe8 s VAL 2 Ca 0.00 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 1fe8 s VAL 2 Cb 0.00 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1fe8 s VAL 2 CO 0.00 0.38 0.63 -0.75 0.00 0.00 0.00 175.10 175.36 1fe8 s LYS 3 N -1.53 0.67 0.08 2.72 2.20 0.15 -4.97 119.74 119.06 1fe8 s LYS 3 Ca 0.38 1.05 0.08 0.00 -0.36 0.00 0.00 55.97 57.11 1fe8 s LYS 3 Cb -0.19 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.28 1fe8 s LYS 3 CO 0.23 -0.13 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.37 1fe8 s LEU 4 N 1.18 2.26 -0.07 5.43 1.02 -1.26 -0.60 118.68 126.63 1fe8 s LEU 4 Ca -0.07 -0.63 -0.03 0.00 0.02 0.00 0.00 54.13 53.43 1fe8 s LEU 4 Cb -0.05 -0.87 0.04 0.00 0.02 0.00 0.00 46.19 45.33 1fe8 s LEU 4 CO -0.12 0.07 0.14 -0.69 0.02 0.00 0.00 176.35 175.78 1fe8 s VAL 5 N -1.06 -0.06 0.11 -1.59 1.01 -1.06 -3.91 120.40 113.84 1fe8 s VAL 5 Ca 0.06 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1fe8 s VAL 5 Cb -0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 1fe8 s VAL 5 CO 0.03 0.08 0.44 -1.10 0.00 0.00 0.00 175.10 174.55 1fe8 s GLN 6 N 1.21 3.81 -0.25 2.72 1.11 -1.26 -1.89 119.66 125.11 1fe8 s GLN 6 Ca -0.09 0.24 -0.01 0.00 0.01 0.00 0.00 55.36 55.51 1fe8 s GLN 6 Cb -0.12 -2.96 0.08 0.00 -1.01 0.00 0.00 33.01 29.00 1fe8 s GLN 6 CO -0.06 0.52 0.04 0.45 0.01 0.00 0.00 175.29 176.26 1fe8 s SER 7 N -1.82 3.57 0.36 5.90 0.15 0.18 -4.82 113.70 117.23 1fe8 s SER 7 Ca 0.35 -1.23 0.04 0.00 0.70 0.00 0.00 55.95 55.81 1fe8 s SER 7 Cb -0.14 -0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 63.28 1fe8 s SER 7 CO 0.19 -0.34 0.07 -0.83 1.20 0.00 0.00 173.24 173.53 1fe8 s GLY 8 N 1.65 2.27 0.13 9.45 0.00 -1.26 -0.56 107.32 119.00 1fe8 s GLY 8 Ca 0.02 -1.81 0.27 0.00 0.00 0.00 0.00 44.72 43.20 1fe8 s GLY 8 CO -0.14 -1.86 1.75 -1.55 0.00 0.00 0.00 173.10 171.30 1fe8 n PRO 9 N -0.78 0.18 0.00 2.90 -0.04 -1.26 -4.97 135.00 131.02 1fe8 n PRO 9 Ca -0.04 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1fe8 n PRO 9 Cb 0.66 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1fe8 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fe8 n GLY 10 N 1.38 1.77 3.73 0.55 0.00 -1.26 -4.76 105.19 106.59 1fe8 n GLY 10 Ca 0.06 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1fe8 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fe8 s LEU 11 N 0.00 4.33 -0.03 0.99 2.96 -1.26 0.11 118.68 125.78 1fe8 s LEU 11 Ca 0.00 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.94 1fe8 s LEU 11 Cb 0.00 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1fe8 s LEU 11 CO 0.00 -0.04 0.10 -0.69 -1.32 0.00 0.00 176.35 174.41 1fe8 s VAL 12 N 0.54 0.02 0.22 1.68 1.01 0.11 -4.93 120.40 119.05 1fe8 s VAL 12 Ca 0.33 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 1fe8 s VAL 12 Cb -0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.91 1fe8 s VAL 12 CO 0.16 -0.11 0.73 0.00 0.00 0.00 0.00 175.10 175.88 1fe8 s ALA 13 N -0.34 3.41 1.11 5.51 0.00 -1.25 -0.60 121.76 129.60 1fe8 s ALA 13 Ca -0.04 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 1fe8 s ALA 13 Cb -0.03 -2.84 0.07 0.00 0.00 0.00 0.00 23.12 20.33 1fe8 s ALA 13 CO 0.00 0.32 -0.17 -2.30 0.00 0.00 0.00 175.76 173.61 1fe8 n PRO 14 N 0.75 -1.46 0.00 0.00 -0.02 -1.26 -2.27 135.00 130.74 1fe8 n PRO 14 Ca -0.02 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1fe8 n PRO 14 Cb 0.51 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1fe8 n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1fe8 n SER 15 N -1.12 0.00 -2.70 2.55 7.64 -0.67 -4.85 113.62 114.47 1fe8 n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1fe8 n SER 15 Cb 0.64 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1fe8 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fe8 n GLN 16 N -1.28 0.17 -5.03 1.43 6.02 -0.96 -4.15 117.38 113.58 1fe8 n GLN 16 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 1fe8 n GLN 16 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 1fe8 n GLN 16 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1fe8 s SER 17 N -1.25 2.68 -0.18 1.08 0.15 -1.26 -2.02 113.70 112.90 1fe8 s SER 17 Ca 0.00 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.03 1fe8 s SER 17 Cb 0.00 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 1fe8 s SER 17 CO 0.00 0.13 0.32 -0.22 1.20 0.00 0.00 173.24 174.67 1fe8 s LEU 18 N 0.41 4.20 -0.08 3.45 2.96 0.99 -4.95 118.68 125.66 1fe8 s LEU 18 Ca -0.17 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1fe8 s LEU 18 Cb -0.17 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.12 1fe8 s LEU 18 CO 0.07 0.03 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.47 1fe8 s SER 19 N 0.72 1.93 0.02 3.68 0.15 -1.26 -0.49 113.70 118.45 1fe8 s SER 19 Ca 0.17 -0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.56 1fe8 s SER 19 Cb -0.14 -0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 1fe8 s SER 19 CO 0.05 -0.01 -0.15 -0.63 1.20 0.00 0.00 173.24 173.70 1fe8 s ILE 20 N 0.98 1.20 -0.10 6.45 1.01 -0.69 -4.38 121.20 125.67 1fe8 s ILE 20 Ca -0.09 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1fe8 s ILE 20 Cb -0.15 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 1fe8 s ILE 20 CO -0.00 0.13 -0.23 -0.89 0.00 0.00 0.00 174.94 173.95 1fe8 s THR 21 N -0.68 2.16 -0.24 2.92 2.01 0.27 -0.68 115.64 121.39 1fe8 s THR 21 Ca 0.04 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 1fe8 s THR 21 Cb -0.07 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.61 1fe8 s THR 21 CO 0.01 0.56 -0.03 0.00 -0.69 0.00 0.00 174.62 174.46 1fe8 s THR 23 N 1.43 4.76 0.14 0.00 -4.23 -0.79 -0.28 115.64 116.67 1fe8 s THR 23 Ca 0.04 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1fe8 s THR 23 Cb -0.15 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1fe8 s THR 23 CO -0.03 0.45 0.32 -0.69 -0.54 0.00 0.00 174.62 174.13 1fe8 s VAL 24 N 0.50 5.26 -0.10 2.29 1.01 0.08 -2.55 120.40 126.90 1fe8 s VAL 24 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1fe8 s VAL 24 Cb -0.13 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1fe8 s VAL 24 CO 0.01 -0.03 0.21 -0.55 0.00 0.00 0.00 175.10 174.74 1fe8 s SER 25 N -2.84 0.19 0.00 3.32 0.15 0.23 -4.91 113.70 109.84 1fe8 s SER 25 Ca 0.38 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1fe8 s SER 25 Cb -0.12 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1fe8 s SER 25 CO 0.28 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1fe8 n GLY 26 N 4.81 0.56 3.44 9.45 0.00 -1.25 0.31 105.19 122.52 1fe8 n GLY 26 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1fe8 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fe8 s PHE 27 N -2.00 -0.50 0.04 1.61 -0.12 -1.26 -4.75 117.98 111.00 1fe8 s PHE 27 Ca 0.00 0.26 -0.20 0.00 -0.05 0.00 0.00 56.93 56.94 1fe8 s PHE 27 Cb 0.00 0.55 -0.06 0.00 -0.63 0.00 0.00 43.02 42.88 1fe8 s PHE 27 CO 0.00 -0.87 0.59 0.45 -0.05 0.00 0.00 175.22 175.35 1fe8 s SER 28 N -2.76 7.04 0.00 1.98 0.15 -1.26 -4.94 113.70 113.90 1fe8 s SER 28 Ca 0.02 1.24 0.28 0.00 0.70 0.00 0.00 55.95 58.18 1fe8 s SER 28 Cb -0.01 -2.37 1.37 0.00 -1.71 0.00 0.00 66.02 63.29 1fe8 s SER 28 CO -0.12 0.19 1.95 0.18 1.20 0.00 0.00 173.24 176.64 1fe8 n LEU 29 N 2.20 0.00 0.14 3.45 4.77 -1.26 -1.14 117.00 125.16 1fe8 n LEU 29 Ca -0.08 0.33 0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1fe8 n LEU 29 Cb 0.51 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1fe8 n LEU 29 CO 0.43 -0.02 0.45 0.74 -1.33 0.00 0.00 177.39 177.65 1fe8 h THR 30 N 0.00 0.66 0.00 -5.08 2.02 -1.92 -3.32 112.91 105.27 1fe8 h THR 30 Ca 0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1fe8 h THR 30 Cb 0.31 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1fe8 h THR 30 CO 0.00 0.38 0.00 0.41 0.37 0.00 0.00 175.52 176.68 1fe8 n THR 31 N -3.16 0.00 -2.11 3.16 -1.04 -0.94 -4.45 114.28 105.74 1fe8 n THR 31 Ca 0.01 0.38 -0.41 0.00 -2.04 0.00 0.00 64.05 61.99 1fe8 n THR 31 Cb 0.70 -1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 67.81 1fe8 n THR 31 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1fe8 s TYR 32 N -0.79 3.11 0.71 -1.42 1.51 -0.29 -4.27 117.35 115.91 1fe8 s TYR 32 Ca 0.00 1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 57.22 1fe8 s TYR 32 Cb 0.00 -3.70 0.08 0.00 -0.11 0.00 0.00 41.96 38.23 1fe8 s TYR 32 CO 0.00 -2.14 1.02 0.20 -1.11 0.00 0.00 175.55 173.52 1fe8 s GLY 33 N 0.05 1.72 -0.03 0.71 0.00 -0.76 -4.13 107.32 104.87 1fe8 s GLY 33 Ca 0.55 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1fe8 s GLY 33 CO 0.45 -0.64 -0.04 0.14 0.00 0.00 0.00 173.10 173.01 1fe8 s VAL 34 N -3.24 0.45 0.28 1.40 1.01 0.55 0.15 120.40 120.99 1fe8 s VAL 34 Ca 0.62 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.59 1fe8 s VAL 34 Cb -0.09 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1fe8 s VAL 34 CO 0.45 0.18 -0.15 -0.44 0.00 0.00 0.00 175.10 175.15 1fe8 s SER 35 N 0.65 3.85 -0.09 3.32 0.01 -0.45 -0.09 113.70 120.90 1fe8 s SER 35 Ca -0.08 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.29 1fe8 s SER 35 Cb -0.11 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1fe8 s SER 35 CO -0.00 0.03 -0.21 0.26 0.41 0.00 0.00 173.24 173.73 1fe8 s TRP 36 N -2.46 2.26 0.01 2.43 0.52 -0.53 -1.42 118.94 119.76 1fe8 s TRP 36 Ca 0.30 -0.91 0.05 0.00 0.02 0.00 0.00 56.10 55.56 1fe8 s TRP 36 Cb -0.05 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.71 1fe8 s TRP 36 CO 0.16 -0.38 -0.15 0.14 0.02 0.00 0.00 176.95 176.74 1fe8 s VAL 37 N 0.42 1.20 -0.03 4.03 -7.23 0.85 -0.49 120.40 119.14 1fe8 s VAL 37 Ca -0.18 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1fe8 s VAL 37 Cb -0.17 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1fe8 s VAL 37 CO 0.08 0.20 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.46 1fe8 s ARG 38 N -0.71 2.84 -0.63 4.82 3.52 0.65 -0.21 118.95 129.24 1fe8 s ARG 38 Ca 0.04 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1fe8 s ARG 38 Cb -0.07 -2.70 0.16 0.00 -1.56 0.00 0.00 34.95 30.79 1fe8 s ARG 38 CO 0.00 0.65 0.42 -1.14 -0.81 0.00 0.00 175.30 174.43 1fe8 s GLN 39 N -1.29 2.13 0.73 5.12 2.00 0.50 -0.48 119.66 128.37 1fe8 s GLN 39 Ca 0.17 -3.01 -0.14 0.00 -2.00 0.00 0.00 55.36 50.38 1fe8 s GLN 39 Cb -0.11 -3.10 0.04 0.00 0.80 0.00 0.00 33.01 30.63 1fe8 s GLN 39 CO 0.07 -1.26 1.17 -2.14 -0.50 0.00 0.00 175.29 172.63 1fe8 s PRO 40 N -0.99 2.22 -0.11 1.67 0.02 -1.26 -1.41 135.00 135.14 1fe8 s PRO 40 Ca 0.24 1.60 -0.32 0.00 0.02 0.00 0.00 61.00 62.55 1fe8 s PRO 40 Cb -0.08 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1fe8 s PRO 40 CO -0.13 -1.74 2.02 -2.30 -0.33 0.00 0.00 177.00 174.51 1fe8 n PRO 41 N -2.83 2.24 -1.86 5.54 -0.02 -1.26 -1.58 135.00 135.24 1fe8 n PRO 41 Ca 0.12 0.77 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 1fe8 n PRO 41 Cb 0.51 -2.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.06 1fe8 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fe8 n GLY 42 N 4.97 1.05 3.39 -1.23 0.00 -1.26 -4.98 105.19 107.13 1fe8 n GLY 42 Ca 0.25 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1fe8 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fe8 s LYS 43 N -4.13 1.45 0.80 1.61 -0.14 -0.61 -5.15 119.74 113.57 1fe8 s LYS 43 Ca 0.00 -1.69 -0.12 0.00 -1.36 0.00 0.00 55.97 52.80 1fe8 s LYS 43 Cb 0.00 -1.18 0.07 0.00 -1.68 0.00 0.00 37.83 35.04 1fe8 s LYS 43 CO 0.00 0.13 1.10 0.20 -0.76 0.00 0.00 175.35 176.02 1fe8 s GLY 44 N -3.39 1.62 0.46 -3.33 0.00 -1.26 -4.37 107.32 97.06 1fe8 s GLY 44 Ca 0.26 -0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.49 1fe8 s GLY 44 CO 0.10 0.19 1.43 1.08 0.00 0.00 0.00 173.10 175.89 1fe8 s LEU 45 N -5.77 4.08 -0.11 0.66 1.43 -1.26 -4.43 118.68 113.27 1fe8 s LEU 45 Ca 0.61 2.92 0.01 0.00 -1.03 0.00 0.00 54.13 56.64 1fe8 s LEU 45 Cb -0.14 -3.97 0.02 0.00 0.03 0.00 0.00 46.19 42.12 1fe8 s LEU 45 CO 0.54 -1.24 -0.12 -1.61 0.23 0.00 0.00 176.35 174.14 1fe8 s GLU 46 N -2.51 1.95 -0.14 1.70 2.02 0.36 -4.96 118.70 117.13 1fe8 s GLU 46 Ca 0.62 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 54.87 1fe8 s GLU 46 Cb -0.44 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1fe8 s GLU 46 CO 0.56 -0.14 1.16 -0.46 0.02 0.00 0.00 175.26 176.39 1fe8 s TRP 47 N 1.24 3.15 -0.12 1.61 -0.00 -1.26 -0.25 118.94 123.31 1fe8 s TRP 47 Ca -0.02 1.25 -0.08 0.00 -0.00 0.00 0.00 56.10 57.25 1fe8 s TRP 47 Cb -0.14 -3.38 -0.03 0.00 -0.00 0.00 0.00 33.47 29.92 1fe8 s TRP 47 CO -0.05 -1.11 -0.15 1.28 -0.00 0.00 0.00 176.95 176.92 1fe8 n LEU 48 N 5.93 1.58 0.00 5.86 4.77 0.35 -4.70 117.00 130.79 1fe8 n LEU 48 Ca 0.12 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.67 1fe8 n LEU 48 Cb 0.46 -0.83 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1fe8 n LEU 48 CO 0.54 -0.48 0.72 0.61 -1.33 0.00 0.00 177.39 177.45 1fe8 n GLY 49 N 1.64 0.68 3.21 -0.72 0.00 -1.19 -1.32 105.19 107.50 1fe8 n GLY 49 Ca -0.06 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1fe8 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fe8 s VAL 50 N -2.12 0.05 -0.25 1.61 0.11 -0.53 -1.45 120.40 117.82 1fe8 s VAL 50 Ca 0.20 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1fe8 s VAL 50 Cb -0.02 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1fe8 s VAL 50 CO 0.05 -0.21 -0.06 -0.51 -3.33 0.00 0.00 175.10 171.03 1fe8 s ILE 51 N -0.98 1.81 0.97 7.04 1.10 0.87 -2.30 121.20 129.71 1fe8 s ILE 51 Ca -0.11 -1.46 -0.14 0.00 -0.51 0.00 0.00 60.65 58.43 1fe8 s ILE 51 Cb -0.05 -2.04 0.17 0.00 0.15 0.00 0.00 42.46 40.70 1fe8 s ILE 51 CO 0.03 -0.12 1.16 0.26 -2.11 0.00 0.00 174.94 174.15 1fe8 s TRP 52 N 1.25 2.03 -1.14 3.50 0.52 -0.18 -0.33 118.94 124.59 1fe8 s TRP 52 Ca -0.05 0.72 0.19 0.00 0.02 0.00 0.00 56.10 56.97 1fe8 s TRP 52 Cb -0.19 -3.50 0.86 0.00 -1.15 0.00 0.00 33.47 29.49 1fe8 s TRP 52 CO -0.06 -2.68 1.60 0.41 0.02 0.00 0.00 176.95 176.24 1fe8 n GLY 53 N -2.19 -1.08 0.10 0.98 0.00 -1.25 -1.44 105.19 100.31 1fe8 n GLY 53 Ca 0.09 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1fe8 n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fe8 n ASP 54 N -1.43 0.79 0.00 1.61 2.03 -1.26 -4.59 116.55 113.70 1fe8 n ASP 54 Ca 0.06 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1fe8 n ASP 54 Cb 0.20 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1fe8 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fe8 n GLY 55 N 1.32 2.12 3.76 0.27 0.00 -0.52 -5.02 105.19 107.11 1fe8 n GLY 55 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1fe8 n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fe8 s ASN 56 N -2.27 5.12 0.13 1.61 3.84 -1.26 -4.73 114.94 117.39 1fe8 s ASN 56 Ca 0.00 2.21 0.01 0.00 0.21 0.00 0.00 52.86 55.29 1fe8 s ASN 56 Cb 0.00 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1fe8 s ASN 56 CO 0.00 -1.63 -0.01 0.42 -2.79 0.00 0.00 177.10 173.09 1fe8 s THR 57 N -1.94 0.51 -0.18 -5.21 -4.23 -1.26 -1.02 115.64 102.32 1fe8 s THR 57 Ca 0.72 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 1fe8 s THR 57 Cb -0.25 -1.94 0.06 0.00 1.34 0.00 0.00 72.50 71.70 1fe8 s THR 57 CO 0.36 -0.62 0.46 -0.89 -0.54 0.00 0.00 174.62 173.39 1fe8 s THR 58 N -3.76 -0.01 0.24 3.99 2.01 -0.97 -5.00 115.64 112.13 1fe8 s THR 58 Ca 0.19 0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.35 1fe8 s THR 58 Cb 0.06 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1fe8 s THR 58 CO -0.00 0.02 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.44 1fe8 s TYR 59 N 1.02 2.14 0.17 4.92 1.51 -1.26 -1.45 117.35 124.39 1fe8 s TYR 59 Ca -0.06 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 1fe8 s TYR 59 Cb -0.06 -0.98 -0.09 0.00 -0.11 0.00 0.00 41.96 40.72 1fe8 s TYR 59 CO -0.09 0.57 1.40 -1.58 -1.11 0.00 0.00 175.55 174.74 1fe8 s HIS 60 N -2.38 3.19 0.14 2.71 5.65 -0.43 -4.77 115.29 119.40 1fe8 s HIS 60 Ca 0.25 0.99 -0.07 0.00 0.25 0.00 0.00 55.06 56.49 1fe8 s HIS 60 Cb -0.05 -3.72 0.20 0.00 -1.18 0.00 0.00 32.58 27.84 1fe8 s HIS 60 CO 0.12 -2.44 0.86 0.43 -0.65 0.00 0.00 174.74 173.06 1fe8 n SER 61 N 3.33 -0.27 -1.77 9.88 7.64 -1.26 0.05 113.62 131.22 1fe8 n SER 61 Ca 0.10 0.95 -0.10 0.00 1.01 0.00 0.00 58.87 60.83 1fe8 n SER 61 Cb 0.42 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1fe8 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fe8 n ALA 62 N -3.76 4.84 0.00 -0.43 0.00 -1.26 -3.63 120.51 116.27 1fe8 n ALA 62 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1fe8 n ALA 62 Cb 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1fe8 n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fe8 n LEU 63 N 1.10 0.00 -0.43 0.00 4.77 0.11 -4.92 117.00 117.63 1fe8 n LEU 63 Ca 0.19 0.00 0.38 0.00 -0.03 0.00 0.00 56.01 56.55 1fe8 n LEU 63 Cb 0.57 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.38 1fe8 n LEU 63 CO 0.18 0.00 1.33 0.40 -1.33 0.00 0.00 177.39 177.97 1fe8 h ILE 64 N 0.00 0.28 -0.00 -0.08 2.04 -1.57 1.10 117.51 119.28 1fe8 h ILE 64 Ca 0.00 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 1fe8 h ILE 64 Cb 0.00 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1fe8 h ILE 64 CO 0.00 0.01 -0.65 0.77 0.00 0.00 0.00 178.15 178.29 1fe8 h SER 65 N 0.08 0.00 0.00 1.72 4.64 -1.90 -3.36 113.55 114.73 1fe8 h SER 65 Ca 0.70 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1fe8 h SER 65 Cb 2.54 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.63 1fe8 h SER 65 CO -0.13 0.65 -0.18 -2.11 -0.87 0.00 0.00 176.83 174.19 1fe8 n ARG 66 N -3.77 5.52 -4.08 4.77 1.85 0.13 -5.00 116.66 116.08 1fe8 n ARG 66 Ca -0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.49 1fe8 n ARG 66 Cb 0.64 -0.57 -0.07 0.00 -1.05 0.00 0.00 32.46 31.41 1fe8 n ARG 66 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1fe8 s LEU 67 N -2.10 4.02 -0.11 2.89 2.96 0.34 -1.10 118.68 125.58 1fe8 s LEU 67 Ca 0.00 0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 54.08 1fe8 s LEU 67 Cb 0.00 -2.14 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1fe8 s LEU 67 CO 0.00 0.34 0.29 -0.94 -1.32 0.00 0.00 176.35 174.72 1fe8 s SER 68 N -1.35 -0.31 -0.05 3.68 1.04 -0.35 -4.70 113.70 111.67 1fe8 s SER 68 Ca 0.19 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.23 1fe8 s SER 68 Cb -0.12 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1fe8 s SER 68 CO 0.09 -0.11 -0.12 -0.63 0.98 0.00 0.00 173.24 173.44 1fe8 s ILE 69 N 0.38 1.11 0.30 -1.02 1.01 -1.26 -1.69 121.20 120.03 1fe8 s ILE 69 Ca -0.02 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1fe8 s ILE 69 Cb -0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1fe8 s ILE 69 CO -0.02 0.34 0.26 -0.94 0.00 0.00 0.00 174.94 174.59 1fe8 s SER 70 N 0.44 1.28 0.21 3.58 1.04 -0.70 -4.98 113.70 114.57 1fe8 s SER 70 Ca -0.10 -1.65 -0.23 0.00 0.48 0.00 0.00 55.95 54.45 1fe8 s SER 70 Cb -0.13 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1fe8 s SER 70 CO 0.03 -1.03 0.82 -1.59 0.98 0.00 0.00 173.24 172.44 1fe8 s LYS 71 N -3.58 1.48 -0.39 4.02 -2.85 -1.26 0.12 119.74 117.28 1fe8 s LYS 71 Ca 0.40 -0.80 0.01 0.00 -1.00 0.00 0.00 55.97 54.57 1fe8 s LYS 71 Cb 0.03 0.52 0.13 0.00 -2.06 0.00 0.00 37.83 36.45 1fe8 s LYS 71 CO 0.24 -0.68 0.21 0.34 0.10 0.00 0.00 175.35 175.56 1fe8 s ASP 72 N -2.90 3.48 0.16 0.03 3.68 0.48 -4.96 116.67 116.63 1fe8 s ASP 72 Ca 0.11 -2.35 -0.28 0.00 2.13 0.00 0.00 52.55 52.16 1fe8 s ASP 72 Cb -0.04 -0.80 -0.01 0.00 -1.45 0.00 0.00 42.92 40.62 1fe8 s ASP 72 CO 0.03 -0.30 1.56 0.78 0.13 0.00 0.00 175.17 177.38 1fe8 h ASN 73 N 7.00 -1.58 -0.94 -0.34 2.35 -1.95 0.60 115.58 120.72 1fe8 h ASN 73 Ca -0.01 0.24 0.18 0.00 -0.55 0.00 0.00 56.30 56.17 1fe8 h ASN 73 Cb 0.95 0.69 -0.08 0.00 0.05 0.00 0.00 38.32 39.93 1fe8 h ASN 73 CO 0.41 -0.36 0.60 0.77 -1.65 0.00 0.00 177.43 177.20 1fe8 h SER 74 N -0.29 0.60 0.99 5.81 4.64 -1.96 0.60 113.55 123.95 1fe8 h SER 74 Ca 0.14 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1fe8 h SER 74 Cb 0.57 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1fe8 h SER 74 CO -0.64 0.25 -0.17 0.54 -0.87 0.00 0.00 176.83 175.94 1fe8 n ARG 75 N -4.60 0.09 -3.66 4.77 5.12 0.39 -4.94 116.66 113.83 1fe8 n ARG 75 Ca 0.20 0.06 -0.27 0.00 -1.93 0.00 0.00 57.85 55.91 1fe8 n ARG 75 Cb 0.59 -1.59 0.04 0.00 -1.16 0.00 0.00 32.46 30.35 1fe8 n ARG 75 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1fe8 n SER 76 N -1.73 -5.48 -4.08 0.55 7.64 0.21 -4.87 113.62 105.86 1fe8 n SER 76 Ca 0.06 -0.61 -0.19 0.00 1.01 0.00 0.00 58.87 59.14 1fe8 n SER 76 Cb 0.37 -4.36 -0.14 0.00 -1.01 0.00 0.00 64.21 59.07 1fe8 n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fe8 s GLN 77 N -6.37 0.83 0.01 1.43 -0.21 -1.09 -0.74 119.66 113.52 1fe8 s GLN 77 Ca 0.58 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 55.46 1fe8 s GLN 77 Cb -0.28 -0.80 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 1fe8 s GLN 77 CO 0.72 0.21 -0.14 0.08 -2.12 0.00 0.00 175.29 174.03 1fe8 s VAL 78 N -0.58 3.10 -0.12 1.09 1.01 0.61 -0.38 120.40 125.12 1fe8 s VAL 78 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1fe8 s VAL 78 Cb -0.06 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1fe8 s VAL 78 CO 0.00 0.40 -0.20 -0.36 0.00 0.00 0.00 175.10 174.94 1fe8 s PHE 79 N -0.92 2.67 -0.11 5.22 0.40 0.33 -1.45 117.98 124.11 1fe8 s PHE 79 Ca 0.15 -1.06 -0.04 0.00 -0.60 0.00 0.00 56.93 55.38 1fe8 s PHE 79 Cb -0.11 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1fe8 s PHE 79 CO 0.05 -0.45 0.04 -1.17 0.70 0.00 0.00 175.22 174.40 1fe8 s LEU 80 N 0.55 3.79 -0.17 -0.37 1.98 0.14 -1.72 118.68 122.89 1fe8 s LEU 80 Ca -0.12 0.19 -0.04 0.00 -2.89 0.00 0.00 54.13 51.27 1fe8 s LEU 80 Cb -0.17 -1.90 0.07 0.00 0.66 0.00 0.00 46.19 44.86 1fe8 s LEU 80 CO 0.04 0.34 0.17 -0.54 -1.89 0.00 0.00 176.35 174.47 1fe8 s LYS 81 N -0.63 0.12 -0.21 1.98 1.02 -0.68 -1.70 119.74 119.64 1fe8 s LYS 81 Ca 0.11 0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.32 1fe8 s LYS 81 Cb -0.12 -1.18 0.04 0.00 -0.52 0.00 0.00 37.83 36.05 1fe8 s LYS 81 CO 0.02 -0.59 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.54 1fe8 s LEU 82 N 2.27 2.61 0.44 3.17 2.96 0.35 -1.21 118.68 129.28 1fe8 s LEU 82 Ca 0.05 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 1fe8 s LEU 82 Cb -0.15 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1fe8 s LEU 82 CO -0.10 -0.08 0.66 0.20 -1.32 0.00 0.00 176.35 175.71 1fe8 s ASN 83 N 1.23 5.87 -1.16 3.68 0.01 -0.26 -0.01 114.94 124.31 1fe8 s ASN 83 Ca -0.00 0.29 -0.06 0.00 -0.71 0.00 0.00 52.86 52.38 1fe8 s ASN 83 Cb -0.16 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 1fe8 s ASN 83 CO -0.10 -0.67 0.86 -1.20 -1.51 0.00 0.00 177.10 174.48 1fe8 n SER 84 N -2.06 -4.20 -4.62 -1.22 7.64 -0.86 -4.85 113.62 103.46 1fe8 n SER 84 Ca 0.01 -0.78 -0.35 0.00 1.01 0.00 0.00 58.87 58.76 1fe8 n SER 84 Cb 0.58 -4.58 0.10 0.00 -1.01 0.00 0.00 64.21 59.30 1fe8 n SER 84 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1fe8 n LEU 85 N -3.83 3.55 -2.01 -3.43 4.77 -0.99 -4.72 117.00 110.33 1fe8 n LEU 85 Ca -0.17 0.62 0.01 0.00 -0.03 0.00 0.00 56.01 56.44 1fe8 n LEU 85 Cb 0.64 -1.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1fe8 n LEU 85 CO 0.63 -2.04 0.13 1.41 -1.33 0.00 0.00 177.39 176.20 1fe8 n HIS 86 N -2.80 0.21 0.00 -1.77 8.25 -1.26 -1.67 115.22 116.18 1fe8 n HIS 86 Ca 0.13 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.41 1fe8 n HIS 86 Cb 0.50 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1fe8 n HIS 86 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fe8 n THR 87 N -0.15 0.00 0.57 1.59 -2.24 -1.26 -4.35 114.28 108.45 1fe8 n THR 87 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1fe8 n THR 87 Cb 0.95 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.47 1fe8 n THR 87 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1fe8 n ASP 88 N 0.05 0.00 -0.48 3.42 9.92 -1.26 -1.19 116.55 127.01 1fe8 n ASP 88 Ca 0.00 -0.03 0.09 0.00 -0.53 0.00 0.00 54.79 54.33 1fe8 n ASP 88 Cb 0.00 -0.19 0.01 0.00 -0.64 0.00 0.00 41.12 40.30 1fe8 n ASP 88 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1fe8 n ASP 89 N -1.19 1.93 -4.74 -2.24 8.00 -1.26 -4.94 116.55 112.10 1fe8 n ASP 89 Ca 0.06 -1.46 -0.41 0.00 0.71 0.00 0.00 54.79 53.68 1fe8 n ASP 89 Cb 0.07 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1fe8 n ASP 89 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1fe8 s THR 90 N -2.10 3.03 0.00 -3.53 -4.23 -0.34 -4.85 115.64 103.62 1fe8 s THR 90 Ca 0.17 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1fe8 s THR 90 Cb 0.15 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1fe8 s THR 90 CO 0.45 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.65 1fe8 n ALA 91 N 2.76 0.00 -2.62 3.99 0.00 0.02 -4.33 120.51 120.33 1fe8 n ALA 91 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1fe8 n ALA 91 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1fe8 n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fe8 s THR 92 N -2.00 4.88 -0.06 0.00 2.01 -0.50 -1.05 115.64 118.92 1fe8 s THR 92 Ca 0.00 1.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.98 1fe8 s THR 92 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1fe8 s THR 92 CO 0.00 -0.13 0.37 -0.31 -0.69 0.00 0.00 174.62 173.86 1fe8 s TYR 93 N 2.74 3.64 0.07 4.92 1.51 -0.63 -0.37 117.35 129.23 1fe8 s TYR 93 Ca 0.29 0.87 0.06 0.00 -1.01 0.00 0.00 57.07 57.27 1fe8 s TYR 93 Cb -0.15 -2.31 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 1fe8 s TYR 93 CO 0.11 0.51 -0.15 0.71 -1.11 0.00 0.00 175.55 175.61 1fe8 s TYR 94 N -0.55 1.32 0.14 2.71 1.51 0.70 -1.96 117.35 121.22 1fe8 s TYR 94 Ca 0.22 -0.43 0.11 0.00 -1.01 0.00 0.00 57.07 55.95 1fe8 s TYR 94 Cb -0.15 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1fe8 s TYR 94 CO 0.10 0.08 -0.26 0.00 -1.11 0.00 0.00 175.55 174.37 1fe8 s ALA 96 N -1.24 -1.20 0.49 0.00 0.00 -0.51 -2.12 121.76 117.20 1fe8 s ALA 96 Ca 0.15 1.41 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 1fe8 s ALA 96 Cb -0.09 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.13 1fe8 s ALA 96 CO 0.07 -0.24 1.15 0.20 0.00 0.00 0.00 175.76 176.95 1fe8 s GLY 97 N 0.44 2.73 -0.08 0.00 0.00 -0.67 -1.34 107.32 108.40 1fe8 s GLY 97 Ca -0.02 0.90 0.03 0.00 0.00 0.00 0.00 44.72 45.63 1fe8 s GLY 97 CO -0.02 1.32 -0.17 -1.31 0.00 0.00 0.00 173.10 172.92 1fe8 s ASN 98 N -1.50 2.36 0.26 1.64 -0.87 0.12 -1.80 114.94 115.14 1fe8 s ASN 98 Ca 0.67 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 1fe8 s ASN 98 Cb -0.27 -1.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.88 1fe8 s ASN 98 CO 0.32 0.08 0.00 0.00 -2.57 0.00 0.00 177.10 174.93 1fe8 n TYR 99 N 3.72 -2.35 0.21 2.20 9.36 -1.26 -1.84 117.16 127.20 1fe8 n TYR 99 Ca -0.21 0.46 0.07 0.00 3.32 0.00 0.00 57.90 61.54 1fe8 n TYR 99 Cb 0.52 0.79 -0.10 0.00 -0.63 0.00 0.00 39.34 39.93 1fe8 n TYR 99 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1fe8 n TYR 100 N -3.32 0.00 0.00 2.98 0.53 -1.26 -5.07 117.16 111.01 1fe8 n TYR 100 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1fe8 n TYR 100 Cb 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 39.34 38.09 1fe8 n TYR 100 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1fe8 n GLY 101 N 1.58 -0.33 2.97 2.72 0.00 -1.26 -4.97 105.19 105.91 1fe8 n GLY 101 Ca -0.01 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1fe8 n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fe8 n MET 102 N 0.00 4.32 -0.31 1.61 2.81 -1.26 -4.04 117.12 120.26 1fe8 n MET 102 Ca 0.00 -4.56 0.02 0.00 -1.81 0.00 0.00 57.70 51.35 1fe8 n MET 102 Cb 0.00 -2.49 0.16 0.00 -0.71 0.00 0.00 33.22 30.18 1fe8 n MET 102 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1fe8 h ASP 103 N 5.38 0.79 -3.51 7.83 3.45 -1.70 -3.42 116.42 125.24 1fe8 h ASP 103 Ca 0.20 0.03 -0.36 0.00 0.43 0.00 0.00 57.03 57.33 1fe8 h ASP 103 Cb 0.62 -0.13 -0.34 0.00 -0.56 0.00 0.00 39.33 38.93 1fe8 h ASP 103 CO 1.29 0.48 -0.75 -0.31 -1.57 0.00 0.00 179.24 178.38 1fe8 s TYR 104 N -6.04 0.43 0.04 4.55 2.02 -1.23 -4.99 117.35 112.14 1fe8 s TYR 104 Ca -0.12 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1fe8 s TYR 104 Cb 0.19 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 1fe8 s TYR 104 CO 0.79 -0.14 0.01 -1.58 -1.57 0.00 0.00 175.55 173.06 1fe8 s TRP 105 N 0.92 3.06 0.65 2.71 0.52 -1.26 -1.67 118.94 123.86 1fe8 s TRP 105 Ca -0.10 0.04 -0.05 0.00 0.02 0.00 0.00 56.10 56.01 1fe8 s TRP 105 Cb -0.13 -1.61 0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1fe8 s TRP 105 CO -0.01 0.48 0.95 0.20 0.02 0.00 0.00 176.95 178.58 1fe8 s GLY 106 N -1.96 1.68 0.44 0.98 0.00 -0.90 -4.51 107.32 103.05 1fe8 s GLY 106 Ca 0.23 -0.91 0.21 0.00 0.00 0.00 0.00 44.72 44.26 1fe8 s GLY 106 CO 0.15 -0.56 1.89 0.06 0.00 0.00 0.00 173.10 174.64 1fe8 h GLN 107 N -0.38 0.00 0.00 2.90 3.07 -1.92 -3.45 115.11 115.33 1fe8 h GLN 107 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1fe8 h GLN 107 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1fe8 h GLN 107 CO 0.59 0.26 0.00 0.41 0.09 0.00 0.00 178.83 180.18 1fe8 n GLY 108 N -0.26 -0.50 2.86 0.06 0.00 -1.26 -5.03 105.19 101.05 1fe8 n GLY 108 Ca -0.01 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1fe8 n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fe8 s THR 109 N -3.00 0.23 -0.01 2.61 -4.23 -0.83 -4.82 115.64 105.58 1fe8 s THR 109 Ca 0.00 -0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1fe8 s THR 109 Cb 0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1fe8 s THR 109 CO 0.00 0.13 1.04 -0.55 -0.54 0.00 0.00 174.62 174.70 1fe8 s SER 110 N 0.67 7.27 -0.11 3.99 0.15 -1.26 -1.60 113.70 122.80 1fe8 s SER 110 Ca -0.07 1.71 0.02 0.00 0.70 0.00 0.00 55.95 58.31 1fe8 s SER 110 Cb -0.10 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1fe8 s SER 110 CO -0.01 -0.35 -0.18 -0.69 1.20 0.00 0.00 173.24 173.21 1fe8 s VAL 111 N 1.28 2.62 -0.17 4.45 1.01 -0.22 -4.21 120.40 125.17 1fe8 s VAL 111 Ca 0.53 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1fe8 s VAL 111 Cb -0.22 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1fe8 s VAL 111 CO 0.26 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.88 1fe8 s THR 112 N 0.30 2.78 -0.54 3.92 2.01 0.31 -0.80 115.64 123.61 1fe8 s THR 112 Ca -0.13 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 1fe8 s THR 112 Cb -0.17 -2.19 0.14 0.00 0.01 0.00 0.00 72.50 70.29 1fe8 s THR 112 CO 0.07 0.50 0.42 -0.69 -0.69 0.00 0.00 174.62 174.23 1fe8 s VAL 113 N 0.95 4.31 0.05 3.82 1.01 -1.25 0.05 120.40 129.34 1fe8 s VAL 113 Ca -0.02 -2.08 -0.12 0.00 0.00 0.00 0.00 61.98 59.75 1fe8 s VAL 113 Cb -0.15 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1fe8 s VAL 113 CO -0.02 -0.83 0.27 -0.44 0.00 0.00 0.00 175.10 174.09 1fe8 s SER 114 N 2.27 -0.07 0.20 3.32 0.01 0.23 -4.09 113.70 115.58 1fe8 s SER 114 Ca 0.09 -0.28 0.23 0.00 1.31 0.00 0.00 55.95 57.30 1fe8 s SER 114 Cb -0.23 0.35 0.17 0.00 0.21 0.00 0.00 66.02 66.52 1fe8 s SER 114 CO -0.02 -0.63 1.22 0.28 0.41 0.00 0.00 173.24 174.49 1fe8 h SER 115 N 3.17 0.00 -2.61 2.44 0.02 -1.94 -3.32 113.55 111.31 1fe8 h SER 115 Ca -0.32 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 59.96 1fe8 h SER 115 Cb 1.20 0.00 0.18 0.00 0.14 0.00 0.00 62.40 63.92 1fe8 h SER 115 CO 0.48 0.04 -0.68 0.00 -1.14 0.00 0.00 176.83 175.52 1fe8 n ALA 116 N -2.04 -1.89 -2.51 3.77 0.00 -1.26 -4.94 120.51 111.64 1fe8 n ALA 116 Ca 0.02 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1fe8 n ALA 116 Cb 0.51 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 1fe8 n ALA 116 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fe8 s GLU 117 N -1.70 3.83 0.43 0.00 2.02 -1.26 -5.04 118.70 116.97 1fe8 s GLU 117 Ca 0.64 0.27 -0.26 0.00 0.02 0.00 0.00 54.97 55.65 1fe8 s GLU 117 Cb -0.46 -2.99 -0.09 0.00 0.10 0.00 0.00 34.13 30.68 1fe8 s GLU 117 CO 0.59 0.55 1.35 2.41 0.02 0.00 0.00 175.26 180.18 1fe8 n THR 118 N 0.94 2.60 -3.74 3.63 -1.04 -1.26 -4.76 114.28 110.64 1fe8 n THR 118 Ca -0.08 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.30 1fe8 n THR 118 Cb 0.52 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 1fe8 n THR 118 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1fe8 s THR 119 N -1.19 -0.04 0.63 12.58 2.01 0.30 -4.91 115.64 125.03 1fe8 s THR 119 Ca 0.60 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 62.60 1fe8 s THR 119 Cb -0.48 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1fe8 s THR 119 CO 0.58 0.07 1.16 0.00 -0.69 0.00 0.00 174.62 175.73 1fe8 s ALA 120 N 1.16 2.46 0.54 7.40 0.00 -1.26 -1.24 121.76 130.82 1fe8 s ALA 120 Ca -0.09 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1fe8 s ALA 120 Cb -0.11 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1fe8 s ALA 120 CO -0.07 -1.27 0.78 -1.25 0.00 0.00 0.00 175.76 173.96 1fe8 s PRO 121 N -3.71 2.75 -0.17 0.00 0.04 -1.26 -4.32 135.00 128.32 1fe8 s PRO 121 Ca 0.72 -0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.25 1fe8 s PRO 121 Cb -0.25 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1fe8 s PRO 121 CO 0.37 -0.61 -0.12 -1.12 0.04 0.00 0.00 177.00 175.56 1fe8 s SER 122 N -4.34 3.89 -0.32 6.66 0.01 -0.01 -4.93 113.70 114.65 1fe8 s SER 122 Ca 0.54 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 57.27 1fe8 s SER 122 Cb -0.10 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 1fe8 s SER 122 CO 0.40 0.07 0.19 0.68 0.41 0.00 0.00 173.24 174.99 1fe8 s VAL 123 N 0.90 4.87 -0.08 3.43 -7.23 -1.26 -1.33 120.40 119.71 1fe8 s VAL 123 Ca -0.03 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 1fe8 s VAL 123 Cb -0.15 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 1fe8 s VAL 123 CO -0.01 0.03 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.40 1fe8 s TYR 124 N 1.66 2.82 0.54 2.82 2.02 0.43 -4.95 117.35 122.69 1fe8 s TYR 124 Ca 0.05 -0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 1fe8 s TYR 124 Cb -0.17 -1.72 -0.06 0.00 -0.40 0.00 0.00 41.96 39.61 1fe8 s TYR 124 CO 0.08 0.14 1.03 0.15 -1.57 0.00 0.00 175.55 175.38 1fe8 s LYS 125 N -0.47 3.62 -0.33 -0.62 1.02 -1.26 -1.12 119.74 120.58 1fe8 s LYS 125 Ca 0.06 1.17 -0.01 0.00 0.02 0.00 0.00 55.97 57.21 1fe8 s LYS 125 Cb -0.12 -2.08 0.11 0.00 -0.52 0.00 0.00 37.83 35.22 1fe8 s LYS 125 CO 0.02 -0.56 0.15 -0.51 -0.92 0.00 0.00 175.35 173.53 1fe8 s LEU 126 N -4.11 1.46 0.19 3.17 1.43 -1.07 -4.85 118.68 114.91 1fe8 s LEU 126 Ca 0.63 -1.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.02 1fe8 s LEU 126 Cb -0.14 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1fe8 s LEU 126 CO 0.31 -0.38 0.28 -1.61 0.23 0.00 0.00 176.35 175.17 1fe8 s GLU 127 N 1.52 3.33 1.13 1.70 8.01 -1.26 -1.18 118.70 131.95 1fe8 s GLU 127 Ca 0.12 -0.72 -0.17 0.00 0.01 0.00 0.00 54.97 54.22 1fe8 s GLU 127 Cb -0.19 -2.87 0.15 0.00 -4.31 0.00 0.00 34.13 26.91 1fe8 s GLU 127 CO -0.21 0.48 0.28 -2.30 0.01 0.00 0.00 175.26 173.52 1fe8 n PRO 128 N -0.84 -1.79 -0.34 0.39 -0.02 -1.26 -4.97 135.00 126.17 1fe8 n PRO 128 Ca -0.08 -0.50 -0.03 0.00 -2.02 0.00 0.00 63.50 60.87 1fe8 n PRO 128 Cb 0.55 -1.83 0.10 0.00 -0.02 0.00 0.00 33.50 32.30 1fe8 n PRO 128 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fe8 h VAL 129 N -2.22 1.23 0.00 -1.45 2.07 -1.98 -3.43 116.25 110.47 1fe8 h VAL 129 Ca -0.55 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1fe8 h VAL 129 Cb 1.35 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1fe8 h VAL 129 CO 0.41 0.23 0.00 -0.24 0.02 0.00 0.00 177.57 177.99 1fe8 n SER 136 N -4.44 0.00 -4.53 0.57 2.88 -1.26 -4.99 113.62 101.84 1fe8 n SER 136 Ca 0.10 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.40 1fe8 n SER 136 Cb 0.01 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.38 1fe8 n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1fe8 s SER 137 N -0.17 3.96 0.01 -3.46 0.01 -1.26 -0.77 113.70 112.01 1fe8 s SER 137 Ca 0.00 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1fe8 s SER 137 Cb 0.00 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 1fe8 s SER 137 CO 0.00 0.04 -0.02 0.54 0.41 0.00 0.00 173.24 174.21 1fe8 s VAL 138 N -2.30 0.16 -0.14 3.43 0.11 0.65 -4.74 120.40 117.58 1fe8 s VAL 138 Ca 0.29 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1fe8 s VAL 138 Cb -0.06 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1fe8 s VAL 138 CO 0.16 -0.10 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.84 1fe8 s THR 139 N -0.41 3.28 0.48 5.04 2.01 -1.26 -0.64 115.64 124.14 1fe8 s THR 139 Ca -0.03 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.44 1fe8 s THR 139 Cb -0.03 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 1fe8 s THR 139 CO -0.00 0.52 0.21 -0.76 -0.69 0.00 0.00 174.62 173.90 1fe8 s LEU 140 N 0.33 2.78 0.33 4.42 2.01 0.32 -4.40 118.68 124.47 1fe8 s LEU 140 Ca -0.09 -1.28 -0.08 0.00 0.01 0.00 0.00 54.13 52.70 1fe8 s LEU 140 Cb -0.15 -1.18 0.01 0.00 0.01 0.00 0.00 46.19 44.88 1fe8 s LEU 140 CO 0.05 -0.81 0.55 -0.83 1.01 0.00 0.00 176.35 176.32 1fe8 s GLY 141 N -4.03 1.04 -0.19 -3.19 0.00 -0.33 -1.87 107.32 98.76 1fe8 s GLY 141 Ca 0.30 -1.21 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 1fe8 s GLY 141 CO 0.17 -0.77 0.39 0.00 0.00 0.00 0.00 173.10 172.90 1fe8 s LEU 143 N 2.58 3.45 -0.38 0.00 0.20 -0.27 -1.98 118.68 122.27 1fe8 s LEU 143 Ca -0.01 -0.17 -0.04 0.00 0.69 0.00 0.00 54.13 54.60 1fe8 s LEU 143 Cb -0.12 -1.91 0.09 0.00 -0.43 0.00 0.00 46.19 43.82 1fe8 s LEU 143 CO -0.12 0.01 0.16 -0.69 -0.29 0.00 0.00 176.35 175.42 1fe8 s VAL 144 N 1.37 3.37 0.21 1.68 1.01 0.86 -0.43 120.40 128.48 1fe8 s VAL 144 Ca 0.05 -1.77 0.11 0.00 0.00 0.00 0.00 61.98 60.37 1fe8 s VAL 144 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1fe8 s VAL 144 CO 0.03 -0.51 -0.19 -0.75 0.00 0.00 0.00 175.10 173.69 1fe8 s LYS 145 N 1.22 1.72 -1.09 2.72 2.20 -0.44 -0.46 119.74 125.60 1fe8 s LYS 145 Ca 0.04 -1.51 -0.10 0.00 -0.36 0.00 0.00 55.97 54.05 1fe8 s LYS 145 Cb -0.22 -1.92 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 1fe8 s LYS 145 CO -0.02 0.39 0.88 0.41 -0.36 0.00 0.00 175.35 176.65 1fe8 n GLY 146 N -0.02 -1.04 3.27 5.54 0.00 -0.81 -0.83 105.19 111.30 1fe8 n GLY 146 Ca -0.10 0.51 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 1fe8 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fe8 s TYR 147 N -3.42 1.42 -0.28 1.61 -0.85 -1.10 -4.22 117.35 110.50 1fe8 s TYR 147 Ca 0.42 -0.65 -0.22 0.00 -0.52 0.00 0.00 57.07 56.10 1fe8 s TYR 147 Cb -0.09 -0.71 0.10 0.00 0.38 0.00 0.00 41.96 41.65 1fe8 s TYR 147 CO 0.78 0.17 0.86 0.12 -1.52 0.00 0.00 175.55 175.96 1fe8 s PHE 148 N -2.87 -0.71 0.22 -3.49 5.36 -0.38 -0.76 117.98 115.36 1fe8 s PHE 148 Ca 0.16 1.59 0.03 0.00 -0.96 0.00 0.00 56.93 57.74 1fe8 s PHE 148 Cb -0.01 0.39 0.04 0.00 -0.34 0.00 0.00 43.02 43.10 1fe8 s PHE 148 CO 0.03 -0.34 0.31 -0.35 -1.46 0.00 0.00 175.22 173.40 1fe8 n PRO 149 N 3.02 0.73 -0.90 10.12 -0.04 -1.26 0.11 135.00 146.77 1fe8 n PRO 149 Ca -0.15 -1.08 -0.31 0.00 -0.04 0.00 0.00 63.50 61.92 1fe8 n PRO 149 Cb 0.56 -0.13 0.15 0.00 -0.04 0.00 0.00 33.50 34.05 1fe8 n PRO 149 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1fe8 s GLU 150 N -3.05 1.16 0.53 0.54 2.56 -1.26 -4.80 118.70 114.39 1fe8 s GLU 150 Ca 0.22 1.26 0.08 0.00 0.00 0.00 0.00 54.97 56.54 1fe8 s GLU 150 Cb -0.02 -1.76 0.05 0.00 2.00 0.00 0.00 34.13 34.40 1fe8 s GLU 150 CO 0.14 -2.44 0.62 -1.25 -0.56 0.00 0.00 175.26 171.77 1fe8 s PRO 151 N -4.74 2.38 0.03 4.30 0.04 -1.26 -4.95 135.00 130.80 1fe8 s PRO 151 Ca 0.65 -1.69 0.01 0.00 0.04 0.00 0.00 61.00 60.01 1fe8 s PRO 151 Cb -0.21 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1fe8 s PRO 151 CO 0.58 -0.66 -0.05 0.08 0.04 0.00 0.00 177.00 177.00 1fe8 s VAL 152 N -2.64 0.28 0.05 -0.36 1.01 -1.26 -4.61 120.40 112.87 1fe8 s VAL 152 Ca 0.52 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1fe8 s VAL 152 Cb -0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1fe8 s VAL 152 CO 0.32 -0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 173.89 1fe8 s THR 153 N -1.60 2.99 -0.19 3.92 2.01 0.05 -4.94 115.64 117.87 1fe8 s THR 153 Ca -0.12 -1.17 -0.09 0.00 0.31 0.00 0.00 61.69 60.61 1fe8 s THR 153 Cb -0.09 -2.30 0.07 0.00 0.01 0.00 0.00 72.50 70.19 1fe8 s THR 153 CO -0.01 0.29 0.44 -0.22 -0.69 0.00 0.00 174.62 174.43 1fe8 s LEU 154 N -1.61 -0.31 0.18 4.42 0.20 -1.25 -1.43 118.68 118.89 1fe8 s LEU 154 Ca 0.16 0.98 -0.00 0.00 0.69 0.00 0.00 54.13 55.96 1fe8 s LEU 154 Cb -0.11 1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 47.06 1fe8 s LEU 154 CO 0.07 -0.21 0.07 0.42 -0.29 0.00 0.00 176.35 176.42 1fe8 s THR 155 N 1.71 0.28 -0.17 3.68 -4.23 -0.75 -4.96 115.64 111.19 1fe8 s THR 155 Ca -0.08 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1fe8 s THR 155 Cb -0.09 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.47 1fe8 s THR 155 CO -0.14 -0.26 -0.16 0.26 -0.54 0.00 0.00 174.62 173.78 1fe8 s TRP 156 N -3.94 2.79 -1.39 3.99 0.52 -1.26 -0.49 118.94 119.16 1fe8 s TRP 156 Ca 0.30 -1.29 -0.05 0.00 0.02 0.00 0.00 56.10 55.08 1fe8 s TRP 156 Cb 0.07 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1fe8 s TRP 156 CO 0.07 -0.63 0.83 0.09 0.02 0.00 0.00 176.95 177.33 1fe8 n ASN 157 N 4.38 -2.69 -0.63 2.95 3.02 0.60 -1.19 115.26 121.69 1fe8 n ASN 157 Ca -0.20 -0.79 -0.07 0.00 -0.03 0.00 0.00 54.58 53.49 1fe8 n ASN 157 Cb 0.51 -4.07 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 1fe8 n ASN 157 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1fe8 n SER 158 N -2.98 -4.70 0.00 6.41 7.64 -1.26 -1.90 113.62 116.82 1fe8 n SER 158 Ca -0.17 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1fe8 n SER 158 Cb 0.62 -3.40 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 1fe8 n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fe8 n GLY 159 N 0.33 1.01 0.39 0.23 0.00 -0.33 -4.95 105.19 101.86 1fe8 n GLY 159 Ca -0.07 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.18 1fe8 n GLY 159 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fe8 h SER 160 N 1.36 0.50 -3.11 1.61 0.02 -1.38 -3.14 113.55 109.40 1fe8 h SER 160 Ca 0.00 0.11 -0.74 0.00 -0.84 0.00 0.00 61.79 60.32 1fe8 h SER 160 Cb 0.00 0.04 -0.22 0.00 0.14 0.00 0.00 62.40 62.36 1fe8 h SER 160 CO 0.00 0.05 0.04 -0.22 -1.14 0.00 0.00 176.83 175.56 1fe8 s LEU 161 N -9.88 5.91 -0.03 5.07 2.96 -1.02 -4.79 118.68 116.90 1fe8 s LEU 161 Ca -0.09 -1.84 0.04 0.00 -0.22 0.00 0.00 54.13 52.02 1fe8 s LEU 161 Cb 0.27 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1fe8 s LEU 161 CO 0.80 -0.92 0.03 -1.54 -1.32 0.00 0.00 176.35 173.40 1fe8 n SER 162 N 5.52 4.01 -4.82 3.68 3.41 -1.19 -4.22 113.62 120.01 1fe8 n SER 162 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 1fe8 n SER 162 Cb 0.43 0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 65.05 1fe8 n SER 162 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fe8 s SER 163 N -3.27 7.05 -0.37 4.04 0.15 -1.26 -3.87 113.70 116.17 1fe8 s SER 163 Ca -0.02 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1fe8 s SER 163 Cb 0.02 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1fe8 s SER 163 CO 0.17 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1fe8 n GLY 164 N 0.52 0.65 3.74 9.45 0.00 -1.26 -4.72 105.19 113.57 1fe8 n GLY 164 Ca -0.01 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1fe8 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fe8 s VAL 165 N -2.11 4.66 -0.22 1.61 1.01 -1.25 -1.19 120.40 122.91 1fe8 s VAL 165 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1fe8 s VAL 165 Cb 0.00 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.45 1fe8 s VAL 165 CO 0.00 0.58 0.06 -1.00 0.00 0.00 0.00 175.10 174.74 1fe8 s HIS 166 N -0.96 0.98 -0.25 5.22 3.76 0.19 -4.99 115.29 119.25 1fe8 s HIS 166 Ca 0.15 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 54.06 1fe8 s HIS 166 Cb -0.12 -1.08 -0.01 0.00 1.11 0.00 0.00 32.58 32.48 1fe8 s HIS 166 CO 0.04 -0.66 0.04 0.99 -0.85 0.00 0.00 174.74 174.29 1fe8 s THR 167 N 1.87 3.90 0.23 1.30 2.01 -1.26 -0.56 115.64 123.13 1fe8 s THR 167 Ca 0.02 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 1fe8 s THR 167 Cb -0.17 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1fe8 s THR 167 CO -0.13 0.29 0.58 -0.36 -0.69 0.00 0.00 174.62 174.31 1fe8 s PHE 168 N 1.54 3.46 0.52 4.92 0.40 -0.67 -5.01 117.98 123.13 1fe8 s PHE 168 Ca 0.05 0.98 -0.23 0.00 -0.60 0.00 0.00 56.93 57.13 1fe8 s PHE 168 Cb -0.15 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 40.98 1fe8 s PHE 168 CO 0.01 0.28 1.34 -2.30 0.70 0.00 0.00 175.22 175.25 1fe8 n PRO 169 N 0.05 1.79 -2.19 0.24 -0.02 -1.26 -4.30 135.00 129.31 1fe8 n PRO 169 Ca -0.00 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 1fe8 n PRO 169 Cb 0.52 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1fe8 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fe8 s ALA 170 N -1.27 2.99 -0.12 3.55 0.00 -1.26 -4.82 121.76 120.83 1fe8 s ALA 170 Ca 0.68 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.67 1fe8 s ALA 170 Cb -0.43 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.28 1fe8 s ALA 170 CO 0.52 -0.74 -0.21 0.08 0.00 0.00 0.00 175.76 175.41 1fe8 s VAL 171 N -1.49 2.24 -0.09 0.00 1.01 -0.68 -4.93 120.40 116.47 1fe8 s VAL 171 Ca 0.64 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1fe8 s VAL 171 Cb -0.31 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1fe8 s VAL 171 CO 0.37 0.55 0.50 -0.22 0.00 0.00 0.00 175.10 176.30 1fe8 s LEU 172 N 0.46 4.32 -0.23 3.92 2.96 -1.26 -2.08 118.68 126.77 1fe8 s LEU 172 Ca -0.15 0.90 -0.08 0.00 -0.22 0.00 0.00 54.13 54.58 1fe8 s LEU 172 Cb -0.17 -2.74 0.10 0.00 0.50 0.00 0.00 46.19 43.88 1fe8 s LEU 172 CO 0.06 0.04 0.50 -1.58 -1.32 0.00 0.00 176.35 174.05 1fe8 s GLN 173 N 0.33 0.42 -1.21 1.98 0.74 -0.62 -4.94 119.66 116.36 1fe8 s GLN 173 Ca 0.27 1.16 -0.02 0.00 0.05 0.00 0.00 55.36 56.82 1fe8 s GLN 173 Cb -0.16 0.48 -0.01 0.00 1.10 0.00 0.00 33.01 34.42 1fe8 s GLN 173 CO 0.12 -0.23 0.88 0.43 -0.55 0.00 0.00 175.29 175.94 1fe8 n SER 174 N 5.33 -2.69 -1.84 6.67 7.64 -1.26 -2.23 113.62 125.24 1fe8 n SER 174 Ca -0.11 -0.72 -0.12 0.00 1.01 0.00 0.00 58.87 58.93 1fe8 n SER 174 Cb 0.50 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.95 1fe8 n SER 174 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fe8 n ASP 175 N -3.10 -3.56 -3.92 6.43 8.00 -1.26 -4.94 116.55 114.19 1fe8 n ASP 175 Ca -0.25 0.26 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 1fe8 n ASP 175 Cb 0.66 -3.20 -0.14 0.00 -0.02 0.00 0.00 41.12 38.41 1fe8 n ASP 175 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fe8 s LEU 176 N -4.52 1.93 0.01 0.64 1.43 -0.95 -4.78 118.68 112.44 1fe8 s LEU 176 Ca 0.00 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1fe8 s LEU 176 Cb 0.00 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 1fe8 s LEU 176 CO 0.00 0.03 0.24 -0.31 0.23 0.00 0.00 176.35 176.54 1fe8 s TYR 177 N 0.01 3.56 -0.07 0.29 2.02 0.06 -1.60 117.35 121.63 1fe8 s TYR 177 Ca 0.00 0.48 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 1fe8 s TYR 177 Cb -0.03 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1fe8 s TYR 177 CO -0.00 0.62 -0.08 0.99 -1.57 0.00 0.00 175.55 175.51 1fe8 s THR 178 N -1.32 0.87 0.03 -0.71 2.01 -0.88 -1.93 115.64 113.70 1fe8 s THR 178 Ca 0.28 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1fe8 s THR 178 Cb -0.13 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1fe8 s THR 178 CO 0.17 0.31 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.11 1fe8 s LEU 179 N 1.00 2.19 0.20 4.42 0.20 0.39 -1.69 118.68 125.40 1fe8 s LEU 179 Ca -0.09 -0.44 -0.00 0.00 0.69 0.00 0.00 54.13 54.29 1fe8 s LEU 179 Cb -0.15 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.30 1fe8 s LEU 179 CO 0.00 -0.10 0.10 -0.94 -0.29 0.00 0.00 176.35 175.11 1fe8 s SER 180 N -1.21 0.55 -0.19 3.68 1.04 -1.26 -0.09 113.70 116.21 1fe8 s SER 180 Ca -0.05 -1.34 -0.20 0.00 0.48 0.00 0.00 55.95 54.83 1fe8 s SER 180 Cb -0.08 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1fe8 s SER 180 CO 0.01 -0.77 0.56 -0.55 0.98 0.00 0.00 173.24 173.46 1fe8 s SER 181 N -3.19 -0.57 0.06 7.02 0.15 -0.84 -1.68 113.70 114.65 1fe8 s SER 181 Ca 0.35 1.07 0.08 0.00 0.70 0.00 0.00 55.95 58.15 1fe8 s SER 181 Cb 0.07 1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 65.43 1fe8 s SER 181 CO 0.10 -0.23 -0.23 -0.94 1.20 0.00 0.00 173.24 173.14 1fe8 s SER 182 N 0.14 2.74 -0.04 5.45 1.04 0.28 -1.31 113.70 122.00 1fe8 s SER 182 Ca -0.01 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.86 1fe8 s SER 182 Cb -0.04 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1fe8 s SER 182 CO 0.01 0.18 -0.08 0.54 0.98 0.00 0.00 173.24 174.88 1fe8 s VAL 183 N -0.86 0.75 -0.16 5.02 0.11 -0.78 -0.64 120.40 123.84 1fe8 s VAL 183 Ca 0.09 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 1fe8 s VAL 183 Cb -0.09 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1fe8 s VAL 183 CO 0.02 0.26 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.07 1fe8 s THR 184 N 0.67 3.20 0.39 5.04 2.01 -0.34 -0.52 115.64 126.10 1fe8 s THR 184 Ca -0.11 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1fe8 s THR 184 Cb -0.13 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1fe8 s THR 184 CO 0.01 0.50 0.16 0.68 -0.69 0.00 0.00 174.62 175.27 1fe8 s VAL 185 N 0.68 0.48 0.35 3.82 -7.23 0.18 -4.65 120.40 114.03 1fe8 s VAL 185 Ca -0.05 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.86 1fe8 s VAL 185 Cb -0.15 -2.37 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1fe8 s VAL 185 CO 0.02 0.00 1.00 -0.89 -0.31 0.00 0.00 175.10 174.93 1fe8 s THR 186 N -3.26 3.94 0.29 5.32 2.01 -1.26 -0.25 115.64 122.42 1fe8 s THR 186 Ca 0.27 1.59 0.01 0.00 0.31 0.00 0.00 61.69 63.86 1fe8 s THR 186 Cb 0.02 -3.87 0.28 0.00 0.01 0.00 0.00 72.50 68.94 1fe8 s THR 186 CO 0.17 0.11 1.87 0.28 -0.69 0.00 0.00 174.62 176.35 1fe8 h SER 187 N 2.97 0.95 -0.06 3.53 0.02 -1.23 -0.32 113.55 119.41 1fe8 h SER 187 Ca -0.47 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1fe8 h SER 187 Cb 1.20 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 1fe8 h SER 187 CO 0.64 0.55 0.25 0.28 -1.14 0.00 0.00 176.83 177.42 1fe8 h SER 188 N 1.04 0.00 0.40 3.07 0.02 -1.92 -2.27 113.55 113.90 1fe8 h SER 188 Ca 0.45 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.19 1fe8 h SER 188 Cb 0.35 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1fe8 h SER 188 CO -0.21 0.00 -1.78 0.35 -1.14 0.00 0.00 176.83 174.05 1fe8 n THR 189 N -3.11 1.15 -4.24 -2.27 -2.24 -0.14 -4.72 114.28 98.72 1fe8 n THR 189 Ca -0.01 -0.73 -0.17 0.00 -2.27 0.00 0.00 64.05 60.88 1fe8 n THR 189 Cb 0.32 -0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 67.80 1fe8 n THR 189 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1fe8 s TRP 190 N -2.84 0.78 -2.00 4.78 -0.00 -0.85 -0.68 118.94 118.12 1fe8 s TRP 190 Ca -0.06 -0.26 0.16 0.00 -0.00 0.00 0.00 56.10 55.94 1fe8 s TRP 190 Cb 0.09 -0.48 0.95 0.00 -0.00 0.00 0.00 33.47 34.03 1fe8 s TRP 190 CO 0.83 -0.02 1.58 -0.35 -0.00 0.00 0.00 176.95 178.99 1fe8 n PRO 191 N 2.35 0.95 -0.22 5.86 -0.04 -1.26 -4.69 135.00 137.94 1fe8 n PRO 191 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 1fe8 n PRO 191 Cb 0.56 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1fe8 n PRO 191 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1fe8 h SER 192 N 0.00 -1.43 -2.76 3.54 0.02 -1.84 -3.41 113.55 107.67 1fe8 h SER 192 Ca 0.00 0.21 -0.52 0.00 -0.84 0.00 0.00 61.79 60.64 1fe8 h SER 192 Cb 0.00 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1fe8 h SER 192 CO 0.00 -0.20 -0.33 -1.10 -1.14 0.00 0.00 176.83 174.06 1fe8 s GLN 193 N -4.76 3.51 0.05 3.45 -0.21 0.14 -5.07 119.66 116.76 1fe8 s GLN 193 Ca -0.09 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.63 1fe8 s GLN 193 Cb 0.07 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.21 1fe8 s GLN 193 CO 0.43 0.37 0.88 -1.54 -2.12 0.00 0.00 175.29 173.31 1fe8 s SER 194 N -3.36 7.33 -0.10 5.90 1.04 -1.26 -4.63 113.70 118.62 1fe8 s SER 194 Ca 0.38 1.60 0.03 0.00 0.48 0.00 0.00 55.95 58.44 1fe8 s SER 194 Cb -0.11 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1fe8 s SER 194 CO 0.30 -0.09 -0.21 -0.63 0.98 0.00 0.00 173.24 173.59 1fe8 s ILE 195 N 0.28 1.87 -0.02 -1.02 1.01 -1.26 -4.98 121.20 117.08 1fe8 s ILE 195 Ca 0.44 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1fe8 s ILE 195 Cb -0.21 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1fe8 s ILE 195 CO 0.26 0.52 -0.02 -0.89 0.00 0.00 0.00 174.94 174.80 1fe8 s THR 196 N 0.54 0.30 -0.10 2.92 2.01 -1.26 -1.72 115.64 118.33 1fe8 s THR 196 Ca -0.15 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 1fe8 s THR 196 Cb -0.17 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1fe8 s THR 196 CO 0.05 0.14 0.41 0.00 -0.69 0.00 0.00 174.62 174.54 1fe8 s ASN 198 N 0.12 5.29 -0.01 0.00 -0.87 0.35 -2.04 114.94 117.79 1fe8 s ASN 198 Ca 0.23 -0.46 0.05 0.00 -1.57 0.00 0.00 52.86 51.11 1fe8 s ASN 198 Cb -0.15 -1.94 -0.03 0.00 -0.02 0.00 0.00 41.25 39.11 1fe8 s ASN 198 CO 0.09 -0.14 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.65 1fe8 s VAL 199 N 1.58 3.01 -0.02 1.60 1.01 -0.25 -1.81 120.40 125.52 1fe8 s VAL 199 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1fe8 s VAL 199 Cb -0.16 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1fe8 s VAL 199 CO 0.04 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.58 1fe8 s ALA 200 N -0.84 0.38 -0.49 5.51 0.00 -0.51 -0.95 121.76 124.86 1fe8 s ALA 200 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1fe8 s ALA 200 Cb -0.11 -0.22 0.26 0.00 0.00 0.00 0.00 23.12 23.06 1fe8 s ALA 200 CO 0.03 0.02 0.65 1.58 0.00 0.00 0.00 175.76 178.04 1fe8 n HIS 201 N 3.56 1.36 -0.57 0.00 -0.00 0.18 -0.77 115.22 118.98 1fe8 n HIS 201 Ca -0.20 -3.82 0.45 0.00 0.46 0.00 0.00 57.72 54.61 1fe8 n HIS 201 Cb 0.54 -0.44 0.70 0.00 -0.12 0.00 0.00 29.99 30.67 1fe8 n HIS 201 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1fe8 n PRO 202 N 1.01 0.00 0.26 1.57 -0.04 -1.26 0.01 135.00 136.54 1fe8 n PRO 202 Ca 0.25 1.01 0.09 0.00 -0.04 0.00 0.00 63.50 64.81 1fe8 n PRO 202 Cb 0.49 -2.39 0.66 0.00 -0.04 0.00 0.00 33.50 32.23 1fe8 n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fe8 h ALA 203 N 0.84 1.86 0.00 0.55 0.00 -1.91 -2.56 119.26 118.05 1fe8 h ALA 203 Ca 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.67 1fe8 h ALA 203 Cb 3.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 21.19 1fe8 h ALA 203 CO -0.01 0.04 -0.22 -1.13 0.00 0.00 0.00 179.25 177.93 1fe8 n SER 204 N -4.38 1.95 -3.85 0.00 3.41 0.10 -4.97 113.62 105.89 1fe8 n SER 204 Ca -0.03 -3.22 -0.30 0.00 -0.26 0.00 0.00 58.87 55.06 1fe8 n SER 204 Cb 0.12 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1fe8 n SER 204 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fe8 n SER 205 N -1.18 -4.02 -4.58 4.04 7.64 -0.97 -4.90 113.62 109.65 1fe8 n SER 205 Ca 0.15 -0.73 -0.36 0.00 1.01 0.00 0.00 58.87 58.94 1fe8 n SER 205 Cb 0.68 -3.27 -0.11 0.00 -1.01 0.00 0.00 64.21 60.50 1fe8 n SER 205 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fe8 s THR 206 N -3.18 4.92 -0.30 0.44 2.01 -1.16 -4.98 115.64 113.39 1fe8 s THR 206 Ca 0.61 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 1fe8 s THR 206 Cb -0.32 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.01 1fe8 s THR 206 CO 0.76 0.35 0.15 -0.75 -0.69 0.00 0.00 174.62 174.44 1fe8 s LYS 207 N 1.19 0.27 0.02 4.92 2.20 -1.26 0.50 119.74 127.58 1fe8 s LYS 207 Ca 0.06 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1fe8 s LYS 207 Cb -0.14 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.97 1fe8 s LYS 207 CO 0.05 -1.06 -0.15 0.08 -0.36 0.00 0.00 175.35 173.90 1fe8 s VAL 208 N 1.87 2.98 -0.17 4.02 1.01 -0.13 -5.00 120.40 124.98 1fe8 s VAL 208 Ca 0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1fe8 s VAL 208 Cb -0.18 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1fe8 s VAL 208 CO -0.28 0.39 -0.13 -1.81 0.00 0.00 0.00 175.10 173.26 1fe8 s ASP 209 N -1.32 3.78 -0.13 3.32 1.11 -1.26 -1.09 116.67 121.08 1fe8 s ASP 209 Ca 0.15 -0.46 0.00 0.00 0.18 0.00 0.00 52.55 52.42 1fe8 s ASP 209 Cb -0.11 -1.60 0.02 0.00 1.07 0.00 0.00 42.92 42.31 1fe8 s ASP 209 CO 0.05 0.06 -0.11 -0.75 1.18 0.00 0.00 175.17 175.60 1fe8 s LYS 210 N 0.97 1.92 0.57 8.23 2.47 -0.87 -5.02 119.74 128.02 1fe8 s LYS 210 Ca -0.02 -0.42 -0.08 0.00 -1.56 0.00 0.00 55.97 53.90 1fe8 s LYS 210 Cb -0.15 -1.83 -0.02 0.00 -1.46 0.00 0.00 37.83 34.37 1fe8 s LYS 210 CO -0.02 -0.23 0.92 0.21 0.16 0.00 0.00 175.35 176.39 1fe8 s LYS 211 N 1.52 3.35 -0.50 4.03 2.20 -1.26 -1.68 119.74 127.40 1fe8 s LYS 211 Ca 0.04 0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 1fe8 s LYS 211 Cb -0.13 -2.23 0.13 0.00 -1.51 0.00 0.00 37.83 34.09 1fe8 s LYS 211 CO -0.08 -0.51 0.33 0.42 -0.36 0.00 0.00 175.35 175.14 1fe8 s ILE 212 N -3.00 3.86 -0.09 5.43 -1.09 -0.70 -4.81 121.20 120.79 1fe8 s ILE 212 Ca 0.52 -2.14 -0.17 0.00 -2.23 0.00 0.00 60.65 56.64 1fe8 s ILE 212 Cb -0.11 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1fe8 s ILE 212 CO 0.48 -0.78 0.45 -1.61 -1.23 0.00 0.00 174.94 172.25 1fe8 s GLU 213 N 0.96 4.24 0.70 2.79 0.41 -1.26 -4.76 118.70 121.78 1fe8 s GLU 213 Ca 0.09 0.41 -0.16 0.00 -0.41 0.00 0.00 54.97 54.90 1fe8 s GLU 213 Cb -0.23 -3.38 -0.02 0.00 -1.78 0.00 0.00 34.13 28.71 1fe8 s GLU 213 CO -0.03 0.29 0.78 -0.35 -0.49 0.00 0.00 175.26 175.47 1fe8 n PRO 214 N 3.22 0.48 -0.05 0.39 -0.04 -1.26 -4.81 135.00 132.93 1fe8 n PRO 214 Ca -0.09 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1fe8 n PRO 214 Cb 0.52 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1fe8 n PRO 214 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fe8 n ARG 215 N -1.24 0.19 0.00 0.54 1.74 -1.26 -5.11 116.66 111.51 1fe8 n ARG 215 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1fe8 n ARG 215 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1fe8 n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52