#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fxo n LYS 2 N 0.00 1.52 -4.24 3.17 3.00 -1.26 -4.94 118.16 115.42 1fxo n LYS 2 Ca 0.00 0.55 -0.19 0.00 -0.00 0.00 0.00 58.31 58.68 1fxo n LYS 2 Cb 0.00 -2.27 -0.15 0.00 0.00 0.00 0.00 35.03 32.61 1fxo n LYS 2 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1fxo s ARG 3 N 1.95 0.74 0.06 1.64 3.52 -1.26 -4.18 118.95 121.43 1fxo s ARG 3 Ca 0.88 -0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 56.16 1fxo s ARG 3 Cb -0.88 -0.73 -0.06 0.00 -1.56 0.00 0.00 34.95 31.72 1fxo s ARG 3 CO 0.51 0.04 0.45 0.15 -0.81 0.00 0.00 175.30 175.64 1fxo s LYS 4 N 0.37 3.90 0.14 5.12 1.02 -0.13 -4.64 119.74 125.51 1fxo s LYS 4 Ca -0.05 0.38 0.07 0.00 0.02 0.00 0.00 55.97 56.39 1fxo s LYS 4 Cb -0.09 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1fxo s LYS 4 CO 0.00 0.60 -0.03 0.20 -0.92 0.00 0.00 175.35 175.21 1fxo s GLY 5 N -1.43 1.79 -0.04 -3.33 0.00 -0.36 -0.90 107.32 103.05 1fxo s GLY 5 Ca 0.30 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.75 1fxo s GLY 5 CO 0.16 -1.29 -0.07 -0.42 0.00 0.00 0.00 173.10 171.49 1fxo s ILE 6 N -1.51 0.71 -0.29 0.90 1.01 0.10 -0.40 121.20 121.71 1fxo s ILE 6 Ca 0.26 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 1fxo s ILE 6 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1fxo s ILE 6 CO 0.17 0.25 0.08 -0.63 0.00 0.00 0.00 174.94 174.81 1fxo s ILE 7 N 0.54 4.04 -0.44 2.92 1.01 0.00 -0.63 121.20 128.65 1fxo s ILE 7 Ca -0.08 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 1fxo s ILE 7 Cb -0.12 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.33 1fxo s ILE 7 CO 0.01 0.12 0.61 -0.22 0.00 0.00 0.00 174.94 175.46 1fxo s LEU 8 N 1.52 4.59 -0.32 2.97 2.96 -0.56 -1.06 118.68 128.79 1fxo s LEU 8 Ca 0.03 -0.42 0.14 0.00 -0.22 0.00 0.00 54.13 53.66 1fxo s LEU 8 Cb -0.17 -2.66 0.47 0.00 0.50 0.00 0.00 46.19 44.34 1fxo s LEU 8 CO 0.03 -0.75 1.10 0.00 -1.32 0.00 0.00 176.35 175.41 1fxo n ALA 9 N 6.14 3.95 -2.58 5.97 0.00 0.61 -0.59 120.51 134.02 1fxo n ALA 9 Ca -0.03 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1fxo n ALA 9 Cb 0.48 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1fxo n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fxo n GLY 10 N -0.50 1.62 0.00 0.00 0.00 -1.22 -4.51 105.19 100.57 1fxo n GLY 10 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1fxo n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fxo n GLY 11 N 5.00 2.25 3.71 -0.02 0.00 -1.26 -4.92 105.19 109.95 1fxo n GLY 11 Ca 0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1fxo n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fxo n SER 12 N 0.00 4.03 0.04 1.61 2.88 -1.26 -4.92 113.62 116.00 1fxo n SER 12 Ca 0.00 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.70 1fxo n SER 12 Cb 0.00 -1.57 0.02 0.00 -0.75 0.00 0.00 64.21 61.91 1fxo n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fxo n GLY 13 N 4.04 -1.26 0.25 0.46 0.00 -1.26 -4.56 105.19 102.86 1fxo n GLY 13 Ca 0.16 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1fxo n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fxo n THR 14 N -2.14 -0.29 -0.36 2.61 -1.04 -1.26 -0.15 114.28 111.64 1fxo n THR 14 Ca 0.01 1.57 0.03 0.00 -2.04 0.00 0.00 64.05 63.62 1fxo n THR 14 Cb 0.47 -2.24 0.19 0.00 -1.82 0.00 0.00 70.33 66.93 1fxo n THR 14 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1fxo h ARG 15 N 0.00 1.11 -0.31 -2.82 2.43 -1.99 -2.63 114.38 110.16 1fxo h ARG 15 Ca 0.39 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1fxo h ARG 15 Cb 0.75 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1fxo h ARG 15 CO -0.68 0.73 0.00 1.28 -1.51 0.00 0.00 179.97 179.79 1fxo n LEU 16 N -4.51 2.72 -4.78 3.80 4.77 0.78 -4.90 117.00 114.88 1fxo n LEU 16 Ca 0.16 -1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 54.59 1fxo n LEU 16 Cb 0.21 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1fxo n LEU 16 CO 0.32 0.59 0.79 -1.00 -1.33 0.00 0.00 177.39 176.75 1fxo s HIS 17 N -1.60 3.12 -1.43 -1.77 3.76 -1.00 -1.14 115.29 115.23 1fxo s HIS 17 Ca 0.36 1.59 0.27 0.00 -0.15 0.00 0.00 55.06 57.13 1fxo s HIS 17 Cb 0.20 -3.26 0.87 0.00 1.11 0.00 0.00 32.58 31.50 1fxo s HIS 17 CO 0.29 -1.03 1.65 -0.35 -0.85 0.00 0.00 174.74 174.44 1fxo n PRO 18 N -0.12 0.47 -0.27 8.40 -0.04 -1.26 -4.89 135.00 137.28 1fxo n PRO 18 Ca 0.05 -0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1fxo n PRO 18 Cb 0.48 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.62 1fxo n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fxo h ALA 19 N 3.40 1.13 -0.43 0.55 0.00 -1.54 -1.10 119.26 121.26 1fxo h ALA 19 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fxo h ALA 19 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1fxo h ALA 19 CO 0.00 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.46 1fxo n THR 20 N -4.85 0.56 -0.22 0.00 -2.24 -0.99 -4.20 114.28 102.34 1fxo n THR 20 Ca 0.14 -0.65 0.08 0.00 -2.27 0.00 0.00 64.05 61.35 1fxo n THR 20 Cb 0.34 0.51 0.35 0.00 -2.10 0.00 0.00 70.33 69.42 1fxo n THR 20 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1fxo h LEU 21 N 3.27 0.69 0.10 3.22 3.38 -1.47 -2.72 115.31 121.77 1fxo h LEU 21 Ca 0.00 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 1fxo h LEU 21 Cb 0.73 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1fxo h LEU 21 CO 0.00 0.42 -1.71 0.00 0.09 0.00 0.00 178.44 177.24 1fxo h ALA 22 N 1.59 0.33 -4.36 1.53 0.00 -1.75 -3.48 119.26 113.12 1fxo h ALA 22 Ca 0.36 -1.28 -0.70 0.00 0.00 0.00 0.00 54.91 53.29 1fxo h ALA 22 Cb 0.38 0.66 -0.28 0.00 0.00 0.00 0.00 17.79 18.55 1fxo h ALA 22 CO -0.14 1.07 -0.85 0.42 0.00 0.00 0.00 179.25 179.75 1fxo s ILE 23 N -2.50 2.36 0.30 0.00 1.01 -1.03 -5.09 121.20 116.25 1fxo s ILE 23 Ca -0.23 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 1fxo s ILE 23 Cb 0.06 -1.86 -0.12 0.00 0.01 0.00 0.00 42.46 40.55 1fxo s ILE 23 CO 0.73 0.58 1.38 -0.24 0.00 0.00 0.00 174.94 177.40 1fxo n SER 24 N 2.47 2.97 -0.34 3.58 2.88 -1.26 -4.36 113.62 119.57 1fxo n SER 24 Ca -0.17 1.18 0.25 0.00 -1.33 0.00 0.00 58.87 58.81 1fxo n SER 24 Cb 0.51 -1.49 0.54 0.00 -0.75 0.00 0.00 64.21 63.03 1fxo n SER 24 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1fxo h LYS 25 N 3.43 0.31 -0.04 -1.46 3.64 -1.94 -0.48 116.57 120.03 1fxo h LYS 25 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1fxo h LYS 25 Cb 1.27 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1fxo h LYS 25 CO 0.69 0.21 0.00 1.04 -2.27 0.00 0.00 179.45 179.12 1fxo n GLN 26 N -4.61 1.22 0.00 1.90 3.00 -1.26 -2.64 117.38 114.99 1fxo n GLN 26 Ca 0.27 -0.33 0.07 0.00 -0.01 0.00 0.00 57.00 57.00 1fxo n GLN 26 Cb 0.97 -1.34 -0.03 0.00 0.00 0.00 0.00 30.24 29.85 1fxo n GLN 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1fxo n LEU 27 N -0.47 1.24 -4.77 1.08 4.77 -0.20 -1.76 117.00 116.88 1fxo n LEU 27 Ca 0.15 -0.67 -0.37 0.00 -0.03 0.00 0.00 56.01 55.10 1fxo n LEU 27 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1fxo n LEU 27 CO 0.12 0.25 0.84 -0.76 -1.33 0.00 0.00 177.39 176.51 1fxo s LEU 28 N -2.20 3.89 0.29 2.23 1.43 -1.08 -4.39 118.68 118.85 1fxo s LEU 28 Ca 0.10 2.33 -0.29 0.00 -1.03 0.00 0.00 54.13 55.24 1fxo s LEU 28 Cb 0.12 -4.37 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 1fxo s LEU 28 CO 0.45 -1.15 1.15 -2.84 0.23 0.00 0.00 176.35 174.20 1fxo s PRO 29 N -2.94 4.57 -0.54 1.29 0.02 -1.26 -1.04 135.00 135.08 1fxo s PRO 29 Ca 0.68 1.91 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 1fxo s PRO 29 Cb -0.29 -3.16 0.14 0.00 0.02 0.00 0.00 34.50 31.21 1fxo s PRO 29 CO 0.34 0.11 0.46 0.08 -0.33 0.00 0.00 177.00 177.66 1fxo s VAL 30 N -1.14 4.81 0.00 3.83 1.01 -0.27 -4.81 120.40 123.83 1fxo s VAL 30 Ca 0.46 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1fxo s VAL 30 Cb -0.34 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1fxo s VAL 30 CO 0.44 -0.85 0.00 0.00 0.00 0.00 0.00 175.10 174.69 1fxo n TYR 31 N 4.94 0.00 -0.44 5.22 9.36 -1.26 -3.43 117.16 131.55 1fxo n TYR 31 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1fxo n TYR 31 Cb 0.41 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 1fxo n TYR 31 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1fxo n ASP 32 N 2.31 0.53 -3.72 2.98 5.75 -1.26 -5.07 116.55 118.07 1fxo n ASP 32 Ca 0.00 -0.98 -0.11 0.00 -0.01 0.00 0.00 54.79 53.69 1fxo n ASP 32 Cb 0.00 0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 1fxo n ASP 32 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1fxo s LYS 33 N -0.02 0.92 0.41 0.11 -2.85 -1.22 -5.10 119.74 111.99 1fxo s LYS 33 Ca 0.00 -0.63 -0.27 0.00 -1.00 0.00 0.00 55.97 54.07 1fxo s LYS 33 Cb 0.00 0.40 -0.10 0.00 -2.06 0.00 0.00 37.83 36.07 1fxo s LYS 33 CO 0.00 -0.32 1.46 -2.30 0.10 0.00 0.00 175.35 174.29 1fxo n PRO 34 N 0.18 2.49 -0.29 1.78 -0.02 -1.26 -1.11 135.00 136.77 1fxo n PRO 34 Ca -0.17 0.88 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1fxo n PRO 34 Cb 0.61 -2.65 0.27 0.00 -0.02 0.00 0.00 33.50 31.71 1fxo n PRO 34 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1fxo h MET 35 N 2.66 0.19 0.00 -0.52 1.85 -1.15 -0.38 114.93 117.59 1fxo h MET 35 Ca -0.51 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 1fxo h MET 35 Cb 1.25 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1fxo h MET 35 CO 0.63 0.13 0.00 0.97 -0.40 0.00 0.00 176.91 178.23 1fxo h ILE 36 N 0.20 0.00 -0.24 1.77 2.10 -1.55 -1.38 117.51 118.41 1fxo h ILE 36 Ca 0.53 -0.16 0.01 0.00 1.08 0.00 0.00 64.86 66.33 1fxo h ILE 36 Cb 1.05 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 1fxo h ILE 36 CO -0.65 0.00 0.16 1.88 -1.08 0.00 0.00 178.15 178.46 1fxo h TYR 37 N 0.00 0.26 0.59 2.19 -1.99 -1.38 -1.94 116.97 114.71 1fxo h TYR 37 Ca 0.00 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1fxo h TYR 37 Cb 0.18 -0.09 0.01 0.00 2.00 0.00 0.00 36.73 38.82 1fxo h TYR 37 CO 0.00 0.16 -0.28 1.88 -0.00 0.00 0.00 178.16 179.91 1fxo h TYR 38 N 0.27 -0.74 0.00 4.88 -1.99 -1.40 -0.26 116.97 117.75 1fxo h TYR 38 Ca 0.10 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 1fxo h TYR 38 Cb 0.05 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1fxo h TYR 38 CO -0.00 -0.45 -0.26 -1.00 -0.00 0.00 0.00 178.16 176.45 1fxo h PRO 39 N -1.20 0.00 -0.20 4.88 0.13 -1.66 -1.82 132.00 132.12 1fxo h PRO 39 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1fxo h PRO 39 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1fxo h PRO 39 CO 0.13 0.26 0.11 1.25 -0.23 0.00 0.00 178.00 179.52 1fxo h LEU 40 N 0.00 0.25 -1.41 1.56 5.85 -1.35 -2.13 115.31 118.09 1fxo h LEU 40 Ca -0.00 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1fxo h LEU 40 Cb 0.47 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1fxo h LEU 40 CO 0.03 0.28 0.46 0.77 -0.34 0.00 0.00 178.44 179.64 1fxo h SER 41 N 0.21 0.62 0.04 1.25 4.64 -0.40 -1.29 113.55 118.62 1fxo h SER 41 Ca 0.07 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1fxo h SER 41 Cb 0.08 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1fxo h SER 41 CO -0.01 0.40 -0.06 0.74 -0.87 0.00 0.00 176.83 177.03 1fxo h THR 42 N 0.71 0.87 -0.64 2.95 2.02 -0.96 0.18 112.91 118.04 1fxo h THR 42 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1fxo h THR 42 Cb 0.30 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1fxo h THR 42 CO -0.10 0.00 0.41 -0.07 0.37 0.00 0.00 175.52 176.13 1fxo h LEU 43 N -0.12 0.74 -0.53 2.58 3.38 -0.85 -2.10 115.31 118.42 1fxo h LEU 43 Ca 0.01 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1fxo h LEU 43 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1fxo h LEU 43 CO -0.03 0.55 0.32 0.24 0.09 0.00 0.00 178.44 179.61 1fxo h MET 44 N 0.86 0.62 0.00 1.13 2.86 -0.92 -1.17 114.93 118.31 1fxo h MET 44 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1fxo h MET 44 Cb -0.08 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 1fxo h MET 44 CO -0.05 0.41 -0.07 -0.07 1.06 0.00 0.00 176.91 178.19 1fxo h LEU 45 N 0.64 0.00 -0.25 1.22 3.38 -0.33 -0.49 115.31 119.47 1fxo h LEU 45 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1fxo h LEU 45 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1fxo h LEU 45 CO -0.09 0.07 -0.01 0.00 0.09 0.00 0.00 178.44 178.50 1fxo n ALA 46 N -2.23 2.66 -0.45 1.53 0.00 -0.52 -4.76 120.51 116.74 1fxo n ALA 46 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1fxo n ALA 46 Cb 0.19 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1fxo n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fxo n GLY 47 N 1.06 0.77 3.61 0.00 0.00 -0.19 -4.84 105.19 105.60 1fxo n GLY 47 Ca 0.22 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1fxo n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fxo s ILE 48 N -2.00 5.26 -0.09 -0.61 1.01 -0.75 -4.88 121.20 119.15 1fxo s ILE 48 Ca 0.00 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.08 1fxo s ILE 48 Cb 0.00 -3.59 -0.13 0.00 0.01 0.00 0.00 42.46 38.74 1fxo s ILE 48 CO 0.00 0.23 0.23 0.54 0.00 0.00 0.00 174.94 175.95 1fxo n ARG 49 N 4.99 0.97 -3.72 2.79 1.74 -1.26 -3.82 116.66 118.35 1fxo n ARG 49 Ca -0.12 -0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.51 1fxo n ARG 49 Cb 0.52 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.67 1fxo n ARG 49 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1fxo s GLU 50 N -2.49 2.70 -0.04 5.56 2.12 -1.26 -0.75 118.70 124.54 1fxo s GLU 50 Ca -0.02 -1.13 0.01 0.00 0.36 0.00 0.00 54.97 54.19 1fxo s GLU 50 Cb 0.06 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.95 1fxo s GLU 50 CO 0.38 -0.66 -0.04 0.42 -0.54 0.00 0.00 175.26 174.82 1fxo s ILE 51 N 1.44 0.46 -0.26 -3.70 1.01 -0.14 -1.22 121.20 118.79 1fxo s ILE 51 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1fxo s ILE 51 Cb -0.19 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1fxo s ILE 51 CO 0.04 0.20 0.26 -0.22 0.00 0.00 0.00 174.94 175.22 1fxo s LEU 52 N 0.84 4.06 -0.31 2.97 2.96 0.46 -1.17 118.68 128.49 1fxo s LEU 52 Ca -0.11 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 1fxo s LEU 52 Cb -0.14 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1fxo s LEU 52 CO -0.00 -0.07 0.20 -0.63 -1.32 0.00 0.00 176.35 174.54 1fxo s ILE 53 N 1.64 5.14 -0.24 6.68 1.01 0.10 -0.82 121.20 134.73 1fxo s ILE 53 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1fxo s ILE 53 Cb -0.15 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1fxo s ILE 53 CO 0.09 0.09 0.08 -0.63 0.00 0.00 0.00 174.94 174.57 1fxo s ILE 54 N 1.71 4.53 0.14 2.92 1.01 -0.22 -1.06 121.20 130.24 1fxo s ILE 54 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1fxo s ILE 54 Cb -0.17 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 1fxo s ILE 54 CO 0.10 0.35 0.18 -0.24 0.00 0.00 0.00 174.94 175.33 1fxo n SER 55 N 4.65 -0.50 -4.68 3.58 2.88 -0.70 -0.28 113.62 118.57 1fxo n SER 55 Ca -0.16 -1.81 -0.29 0.00 -1.33 0.00 0.00 58.87 55.29 1fxo n SER 55 Cb 0.52 0.96 0.17 0.00 -0.75 0.00 0.00 64.21 65.11 1fxo n SER 55 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1fxo s THR 56 N -2.58 2.05 0.26 2.46 -4.23 -1.26 -0.65 115.64 111.70 1fxo s THR 56 Ca 0.13 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1fxo s THR 56 Cb -0.00 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.57 1fxo s THR 56 CO 0.09 -0.02 1.89 -0.65 -0.54 0.00 0.00 174.62 175.38 1fxo h PRO 57 N -1.88 1.15 0.05 3.99 0.11 -1.89 -1.13 132.00 132.39 1fxo h PRO 57 Ca -0.54 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 65.25 1fxo h PRO 57 Cb 1.33 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1fxo h PRO 57 CO 0.58 0.76 -1.05 1.96 -0.21 0.00 0.00 178.00 180.04 1fxo h GLN 58 N 1.18 0.38 0.02 1.05 4.20 -1.97 -3.34 115.11 116.63 1fxo h GLN 58 Ca 0.42 -0.47 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 1fxo h GLN 58 Cb 0.12 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1fxo h GLN 58 CO -0.16 1.15 -1.17 -0.44 -0.67 0.00 0.00 178.83 177.55 1fxo h ASP 59 N 0.19 0.06 -0.57 1.46 3.32 -1.84 -3.37 116.42 115.66 1fxo h ASP 59 Ca -0.10 -0.08 0.12 0.00 0.02 0.00 0.00 57.03 56.99 1fxo h ASP 59 Cb 1.71 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 41.14 1fxo h ASP 59 CO 0.18 1.06 -0.00 0.74 -1.72 0.00 0.00 179.24 179.50 1fxo h THR 60 N 0.01 0.53 -0.01 0.35 2.02 -1.33 0.85 112.91 115.33 1fxo h THR 60 Ca -0.08 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1fxo h THR 60 Cb 1.84 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1fxo h THR 60 CO 0.13 0.02 -0.07 -0.65 0.37 0.00 0.00 175.52 175.32 1fxo h PRO 61 N 0.11 0.02 -0.36 6.66 0.11 -1.77 -2.17 132.00 134.60 1fxo h PRO 61 Ca 0.30 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 1fxo h PRO 61 Cb 0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1fxo h PRO 61 CO -0.49 0.09 -0.32 0.00 -0.21 0.00 0.00 178.00 177.07 1fxo h ARG 62 N 0.02 0.79 -0.48 1.05 3.08 -1.06 -1.11 114.38 116.66 1fxo h ARG 62 Ca 0.00 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.62 1fxo h ARG 62 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1fxo h ARG 62 CO 0.01 1.00 0.05 0.74 -1.07 0.00 0.00 179.97 180.70 1fxo h PHE 63 N 0.67 0.88 -0.68 3.04 -1.00 -0.86 -2.28 116.94 116.70 1fxo h PHE 63 Ca 0.07 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1fxo h PHE 63 Cb 0.86 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 1fxo h PHE 63 CO 0.05 0.82 0.32 1.96 -1.61 0.00 0.00 178.31 179.84 1fxo h GLN 64 N 0.69 0.97 -0.85 1.51 4.20 -1.25 -0.20 115.11 120.18 1fxo h GLN 64 Ca 0.14 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1fxo h GLN 64 Cb 0.43 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1fxo h GLN 64 CO 0.01 0.76 0.48 0.37 -0.67 0.00 0.00 178.83 179.78 1fxo h GLN 65 N 0.97 1.17 -0.13 1.46 4.15 -0.95 0.15 115.11 121.93 1fxo h GLN 65 Ca 0.24 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 1fxo h GLN 65 Cb 0.11 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1fxo h GLN 65 CO -0.03 0.85 -0.27 1.25 -1.93 0.00 0.00 178.83 178.70 1fxo h LEU 66 N 1.18 0.47 0.00 -2.39 5.85 -0.92 -3.39 115.31 116.10 1fxo h LEU 66 Ca 0.30 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1fxo h LEU 66 Cb 0.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1fxo h LEU 66 CO -0.05 0.94 -1.67 0.18 -0.34 0.00 0.00 178.44 177.50 1fxo n LEU 67 N -4.43 0.00 0.00 2.25 4.77 -0.13 -5.10 117.00 114.36 1fxo n LEU 67 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1fxo n LEU 67 Cb 0.45 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1fxo n LEU 67 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1fxo n GLY 68 N 1.75 0.95 0.37 -0.72 0.00 0.53 -3.06 105.19 105.01 1fxo n GLY 68 Ca -0.04 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1fxo n GLY 68 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fxo n ASP 69 N -2.83 1.13 0.00 1.61 5.68 -1.26 -4.79 116.55 116.09 1fxo n ASP 69 Ca 0.00 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 1fxo n ASP 69 Cb 0.00 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1fxo n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fxo n GLY 70 N 1.08 2.32 0.35 6.12 0.00 -1.17 -0.69 105.19 113.19 1fxo n GLY 70 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1fxo n GLY 70 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fxo h SER 71 N 0.00 0.19 0.75 1.61 4.64 -1.84 0.83 113.55 119.74 1fxo h SER 71 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fxo h SER 71 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1fxo h SER 71 CO 0.00 0.11 -0.01 0.78 -0.87 0.00 0.00 176.83 176.85 1fxo h ASN 72 N 0.21 0.00 -0.44 4.97 2.35 -1.91 -2.03 115.58 118.73 1fxo h ASN 72 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1fxo h ASN 72 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1fxo h ASN 72 CO -0.04 0.01 0.00 0.79 -1.65 0.00 0.00 177.43 176.53 1fxo n TRP 73 N -3.11 0.81 -1.36 1.19 8.01 0.15 -4.97 117.44 118.15 1fxo n TRP 73 Ca -0.00 -0.59 -0.07 0.00 -1.31 0.00 0.00 57.50 55.53 1fxo n TRP 73 Cb 0.25 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.31 29.41 1fxo n TRP 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fxo n GLY 74 N 0.61 0.75 3.71 6.99 0.00 -0.76 -4.69 105.19 111.79 1fxo n GLY 74 Ca 0.18 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1fxo n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fxo s LEU 75 N -1.60 3.20 -0.49 0.99 1.43 -0.37 -4.97 118.68 116.88 1fxo s LEU 75 Ca 0.00 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1fxo s LEU 75 Cb 0.00 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.69 1fxo s LEU 75 CO 0.00 -0.27 0.23 -0.62 0.23 0.00 0.00 176.35 175.92 1fxo s ASP 76 N -3.81 4.48 -0.14 2.29 2.15 0.07 -2.82 116.67 118.88 1fxo s ASP 76 Ca 0.37 -2.81 -0.13 0.00 0.43 0.00 0.00 52.55 50.40 1fxo s ASP 76 Cb -0.02 -1.65 -0.05 0.00 -0.30 0.00 0.00 42.92 40.90 1fxo s ASP 76 CO 0.22 -0.28 0.28 -0.76 -0.17 0.00 0.00 175.17 174.46 1fxo s LEU 77 N -0.01 4.28 0.16 -1.34 1.43 0.13 -0.97 118.68 122.37 1fxo s LEU 77 Ca 0.16 0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.84 1fxo s LEU 77 Cb -0.24 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1fxo s LEU 77 CO -0.02 0.16 -0.10 -1.10 0.23 0.00 0.00 176.35 175.51 1fxo s GLN 78 N 0.16 1.11 -0.01 1.70 -0.21 -0.31 -4.59 119.66 117.51 1fxo s GLN 78 Ca 0.17 -1.48 0.04 0.00 0.02 0.00 0.00 55.36 54.10 1fxo s GLN 78 Cb -0.13 -0.70 -0.01 0.00 1.00 0.00 0.00 33.01 33.17 1fxo s GLN 78 CO 0.04 0.08 -0.13 0.71 -2.12 0.00 0.00 175.29 173.87 1fxo s TYR 79 N -3.28 1.21 0.06 0.91 1.51 -1.26 0.03 117.35 116.54 1fxo s TYR 79 Ca 0.18 -0.23 -0.06 0.00 -1.01 0.00 0.00 57.07 55.95 1fxo s TYR 79 Cb 0.02 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1fxo s TYR 79 CO 0.02 -0.02 0.12 0.00 -1.11 0.00 0.00 175.55 174.56 1fxo s ALA 80 N -0.31 -0.04 -0.14 3.71 0.00 -0.22 -4.93 121.76 119.82 1fxo s ALA 80 Ca 0.05 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1fxo s ALA 80 Cb -0.05 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1fxo s ALA 80 CO -0.01 -0.42 0.13 0.08 0.00 0.00 0.00 175.76 175.54 1fxo s VAL 81 N -3.46 5.41 -0.41 0.00 1.01 -1.26 -1.73 120.40 119.96 1fxo s VAL 81 Ca 0.02 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1fxo s VAL 81 Cb 0.04 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 33.12 1fxo s VAL 81 CO -0.09 0.57 0.24 -1.58 0.00 0.00 0.00 175.10 174.24 1fxo s GLN 82 N -0.66 2.45 0.49 2.72 0.74 0.18 -4.90 119.66 120.68 1fxo s GLN 82 Ca 0.13 -1.56 0.20 0.00 0.05 0.00 0.00 55.36 54.18 1fxo s GLN 82 Cb -0.12 -3.71 1.25 0.00 1.10 0.00 0.00 33.01 31.53 1fxo s GLN 82 CO 0.02 -0.98 2.05 -1.00 -0.55 0.00 0.00 175.29 174.83 1fxo h PRO 83 N 8.30 0.00 -3.47 1.67 0.13 -1.96 -3.39 132.00 133.29 1fxo h PRO 83 Ca -0.20 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.74 1fxo h PRO 83 Cb 1.07 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.95 1fxo h PRO 83 CO 0.74 0.14 -0.57 -1.12 -0.23 0.00 0.00 178.00 176.96 1fxo s SER 84 N -6.63 -0.09 -1.30 1.44 0.01 -1.26 -4.84 113.70 101.03 1fxo s SER 84 Ca -0.04 0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.23 1fxo s SER 84 Cb 0.15 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 1fxo s SER 84 CO 0.64 -0.10 2.26 -0.81 0.41 0.00 0.00 173.24 175.64 1fxo n PRO 85 N 2.75 2.62 -0.59 12.44 -0.04 -1.26 -4.67 135.00 146.25 1fxo n PRO 85 Ca -0.14 -2.31 0.05 0.00 -0.04 0.00 0.00 63.50 61.06 1fxo n PRO 85 Cb 0.58 -3.09 0.28 0.00 -0.04 0.00 0.00 33.50 31.24 1fxo n PRO 85 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fxo n ASP 86 N 5.94 4.15 0.00 3.54 8.00 -1.26 -4.90 116.55 132.03 1fxo n ASP 86 Ca 0.55 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1fxo n ASP 86 Cb 0.36 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1fxo n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fxo n GLY 87 N 0.52 4.54 0.29 0.44 0.00 -1.26 -0.53 105.19 109.19 1fxo n GLY 87 Ca 0.19 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 45.01 1fxo n GLY 87 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fxo h LEU 88 N 0.00 0.46 -0.30 0.99 3.38 -1.86 -1.17 115.31 116.80 1fxo h LEU 88 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1fxo h LEU 88 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1fxo h LEU 88 CO 0.00 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1fxo n ALA 89 N -2.48 1.86 0.31 1.53 0.00 -0.72 -1.95 120.51 119.07 1fxo n ALA 89 Ca 0.02 0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.66 1fxo n ALA 89 Cb 0.16 -1.38 0.99 0.00 0.00 0.00 0.00 19.45 19.22 1fxo n ALA 89 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fxo h GLN 90 N 0.00 0.00 -0.96 0.00 4.20 -1.39 -2.02 115.11 114.94 1fxo h GLN 90 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1fxo h GLN 90 Cb 0.42 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 1fxo h GLN 90 CO 0.00 0.02 0.61 0.00 -0.67 0.00 0.00 178.83 178.79 1fxo h ALA 91 N 1.98 1.73 0.00 3.87 0.00 -1.56 -0.23 119.26 125.05 1fxo h ALA 91 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fxo h ALA 91 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fxo h ALA 91 CO 0.00 -0.02 0.00 0.74 0.00 0.00 0.00 179.25 179.98 1fxo h PHE 92 N 0.78 0.00 0.00 0.00 -1.00 -1.59 -0.57 116.94 114.55 1fxo h PHE 92 Ca 0.51 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.23 1fxo h PHE 92 Cb 0.75 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 1fxo h PHE 92 CO -0.00 0.00 -0.34 -0.07 -1.61 0.00 0.00 178.31 176.29 1fxo h LEU 93 N 0.00 0.00 -0.96 1.54 3.38 -1.27 -2.51 115.31 115.49 1fxo h LEU 93 Ca 0.00 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.21 1fxo h LEU 93 Cb 0.84 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1fxo h LEU 93 CO 0.00 1.12 0.60 0.40 0.09 0.00 0.00 178.44 180.65 1fxo h ILE 94 N -1.00 0.99 -0.50 1.22 2.04 -1.15 -2.62 117.51 116.49 1fxo h ILE 94 Ca -0.09 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1fxo h ILE 94 Cb 1.06 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1fxo h ILE 94 CO -0.06 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1fxo n GLY 95 N -1.35 1.98 0.14 5.37 0.00 -0.22 -4.59 105.19 106.52 1fxo n GLY 95 Ca 0.16 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1fxo n GLY 95 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fxo h GLU 96 N 3.13 0.39 -0.12 1.61 4.81 -1.05 -1.28 114.58 122.06 1fxo h GLU 96 Ca 0.00 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1fxo h GLU 96 Cb 1.08 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1fxo h GLU 96 CO 0.14 0.28 -0.52 0.77 -0.73 0.00 0.00 179.01 178.95 1fxo h SER 97 N 0.38 0.38 -0.47 1.04 0.02 -1.83 -1.88 113.55 111.19 1fxo h SER 97 Ca 0.11 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1fxo h SER 97 Cb -0.02 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1fxo h SER 97 CO -0.02 0.83 0.27 0.15 -1.14 0.00 0.00 176.83 176.92 1fxo h PHE 98 N 0.27 0.63 -0.30 3.45 3.57 -1.79 -3.04 116.94 119.74 1fxo h PHE 98 Ca 0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1fxo h PHE 98 Cb 1.01 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1fxo h PHE 98 CO 0.03 0.46 -0.05 0.82 -2.23 0.00 0.00 178.31 177.34 1fxo h ILE 99 N 0.62 1.27 0.00 1.41 2.04 -1.15 -3.48 117.51 118.22 1fxo h ILE 99 Ca 0.17 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1fxo h ILE 99 Cb 0.03 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1fxo h ILE 99 CO -0.03 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.07 1fxo n GLY 100 N -0.22 2.91 1.93 5.37 0.00 -0.72 -2.17 105.19 112.29 1fxo n GLY 100 Ca -0.03 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 1fxo n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fxo n ASN 101 N 5.01 3.44 -4.80 1.61 3.02 -1.26 -4.98 115.26 117.30 1fxo n ASN 101 Ca 0.00 -3.64 -0.22 0.00 -0.03 0.00 0.00 54.58 50.69 1fxo n ASN 101 Cb 0.00 -0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 38.34 1fxo n ASN 101 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1fxo s ASP 102 N -1.63 5.37 0.93 6.41 1.01 -0.92 -4.94 116.67 122.90 1fxo s ASP 102 Ca 0.54 -0.32 -0.11 0.00 0.71 0.00 0.00 52.55 53.36 1fxo s ASP 102 Cb 0.46 -1.30 0.11 0.00 1.01 0.00 0.00 42.92 43.20 1fxo s ASP 102 CO 0.08 -0.05 0.90 0.18 0.21 0.00 0.00 175.17 176.49 1fxo n LEU 103 N -1.15 2.15 -4.02 1.23 4.77 -1.26 -4.57 117.00 114.14 1fxo n LEU 103 Ca -0.07 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1fxo n LEU 103 Cb 0.58 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1fxo n LEU 103 CO 0.43 -2.65 0.11 -0.94 -1.33 0.00 0.00 177.39 173.01 1fxo s SER 104 N -2.43 -0.05 -0.07 -1.43 1.04 -0.52 -0.96 113.70 109.27 1fxo s SER 104 Ca 0.64 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 1fxo s SER 104 Cb -0.22 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1fxo s SER 104 CO 0.61 -1.09 0.27 0.00 0.98 0.00 0.00 173.24 174.01 1fxo s ALA 105 N -4.04 -0.67 -0.05 5.32 0.00 -0.08 -0.82 121.76 121.41 1fxo s ALA 105 Ca 0.25 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1fxo s ALA 105 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1fxo s ALA 105 CO 0.09 -0.17 -0.21 -1.17 0.00 0.00 0.00 175.76 174.30 1fxo s LEU 106 N -0.35 1.98 0.03 0.00 2.96 0.91 -0.73 118.68 123.49 1fxo s LEU 106 Ca -0.05 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1fxo s LEU 106 Cb -0.03 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1fxo s LEU 106 CO 0.01 0.19 -0.19 0.54 -1.32 0.00 0.00 176.35 175.58 1fxo s VAL 107 N 0.01 1.51 0.23 1.68 0.11 0.20 -0.68 120.40 123.46 1fxo s VAL 107 Ca -0.06 -1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 57.67 1fxo s VAL 107 Cb -0.13 -1.30 -0.09 0.00 -1.53 0.00 0.00 36.38 33.33 1fxo s VAL 107 CO 0.03 0.22 0.89 -0.76 -3.33 0.00 0.00 175.10 172.15 1fxo s LEU 108 N -0.97 4.59 0.34 2.54 1.43 -0.43 -1.50 118.68 124.68 1fxo s LEU 108 Ca 0.06 1.83 0.26 0.00 -1.03 0.00 0.00 54.13 55.25 1fxo s LEU 108 Cb -0.08 -3.57 1.13 0.00 0.03 0.00 0.00 46.19 43.70 1fxo s LEU 108 CO 0.01 0.14 1.79 1.23 0.23 0.00 0.00 176.35 179.75 1fxo h GLY 109 N 4.05 0.00 -1.75 -3.19 0.00 -1.20 -2.42 103.07 98.56 1fxo h GLY 109 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1fxo h GLY 109 CO 0.67 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.30 1fxo n ASP 110 N -2.45 3.77 -4.73 0.19 5.75 -1.26 -4.38 116.55 113.45 1fxo n ASP 110 Ca 0.01 -2.63 -0.36 0.00 -0.01 0.00 0.00 54.79 51.80 1fxo n ASP 110 Cb 0.22 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 39.78 1fxo n ASP 110 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1fxo s ASN 111 N -1.48 6.41 -0.19 -1.12 0.02 -0.91 -1.20 114.94 116.47 1fxo s ASN 111 Ca 0.38 0.47 0.01 0.00 -1.02 0.00 0.00 52.86 52.70 1fxo s ASN 111 Cb 0.27 -2.17 0.02 0.00 0.02 0.00 0.00 41.25 39.40 1fxo s ASN 111 CO 0.13 0.12 -0.19 -0.22 0.02 0.00 0.00 177.10 176.96 1fxo s LEU 112 N 0.41 2.25 0.01 0.60 0.20 0.33 -3.87 118.68 118.62 1fxo s LEU 112 Ca 0.15 -0.73 0.05 0.00 0.69 0.00 0.00 54.13 54.29 1fxo s LEU 112 Cb -0.13 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 1fxo s LEU 112 CO 0.03 -0.03 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.65 1fxo s TYR 113 N 1.28 2.77 -0.25 5.38 1.51 -1.26 -0.54 117.35 126.23 1fxo s TYR 113 Ca 0.03 -0.12 -0.20 0.00 -1.01 0.00 0.00 57.07 55.77 1fxo s TYR 113 Cb -0.14 -1.56 0.07 0.00 -0.11 0.00 0.00 41.96 40.22 1fxo s TYR 113 CO -0.12 0.32 0.66 -0.47 -1.11 0.00 0.00 175.55 174.83 1fxo s TYR 114 N -0.96 -0.82 0.00 2.71 5.04 0.03 -5.00 117.35 118.36 1fxo s TYR 114 Ca 0.16 1.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 1fxo s TYR 114 Cb -0.11 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.57 1fxo s TYR 114 CO 0.06 -0.40 0.00 0.41 -1.34 0.00 0.00 175.55 174.28 1fxo n GLY 115 N 3.28 2.04 3.75 8.97 0.00 -1.26 -0.22 105.19 121.75 1fxo n GLY 115 Ca -0.16 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1fxo n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fxo s HIS 116 N -2.00 3.04 -0.85 1.61 2.46 -1.26 -2.41 115.29 115.87 1fxo s HIS 116 Ca 0.00 1.20 0.00 0.00 0.47 0.00 0.00 55.06 56.73 1fxo s HIS 116 Cb 0.00 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.70 1fxo s HIS 116 CO 0.00 -2.29 0.00 -0.25 -2.47 0.00 0.00 174.74 169.73 1fxo n ASP 117 N 1.74 -4.61 -0.19 9.88 8.00 -1.26 -4.90 116.55 125.22 1fxo n ASP 117 Ca 0.04 0.20 0.12 0.00 0.71 0.00 0.00 54.79 55.86 1fxo n ASP 117 Cb 0.41 -2.81 0.44 0.00 -0.02 0.00 0.00 41.12 39.13 1fxo n ASP 117 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1fxo h PHE 118 N 0.00 0.63 -0.16 1.24 3.57 -1.89 0.14 116.94 120.46 1fxo h PHE 118 Ca -0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1fxo h PHE 118 Cb 0.74 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1fxo h PHE 118 CO 0.36 0.27 0.02 1.12 -2.23 0.00 0.00 178.31 177.84 1fxo h HIS 119 N 0.56 0.22 -0.15 0.41 2.07 -1.89 0.10 115.15 116.47 1fxo h HIS 119 Ca 0.37 -0.01 -0.21 0.00 -2.85 0.00 0.00 60.37 57.67 1fxo h HIS 119 Cb 0.64 -0.07 0.01 0.00 2.57 0.00 0.00 27.41 30.56 1fxo h HIS 119 CO -0.00 0.23 -0.74 0.93 -3.07 0.00 0.00 177.93 175.28 1fxo h GLU 120 N 0.23 0.77 -0.27 5.12 5.08 -1.36 0.05 114.58 124.19 1fxo h GLU 120 Ca 0.06 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1fxo h GLU 120 Cb 0.13 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1fxo h GLU 120 CO 0.00 1.23 0.13 1.25 -1.00 0.00 0.00 179.01 180.62 1fxo h LEU 121 N 0.49 0.35 -0.23 1.33 5.85 -1.05 -1.04 115.31 121.01 1fxo h LEU 121 Ca -0.05 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1fxo h LEU 121 Cb 1.37 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1fxo h LEU 121 CO 0.15 0.38 0.08 -0.07 -0.34 0.00 0.00 178.44 178.64 1fxo h LEU 122 N 0.30 0.33 -0.83 2.25 3.38 -0.96 -3.08 115.31 116.70 1fxo h LEU 122 Ca 0.09 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1fxo h LEU 122 Cb 0.12 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1fxo h LEU 122 CO -0.01 0.42 0.53 1.23 0.09 0.00 0.00 178.44 180.70 1fxo h GLY 123 N 0.21 1.22 0.96 0.83 0.00 -0.76 0.17 103.07 105.71 1fxo h GLY 123 Ca 0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1fxo h GLY 123 CO -0.00 0.32 0.05 1.76 0.00 0.00 0.00 176.54 178.67 1fxo h SER 124 N 1.01 0.73 -0.23 0.19 0.02 -1.22 0.56 113.55 114.61 1fxo h SER 124 Ca 0.34 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1fxo h SER 124 Cb 0.05 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1fxo h SER 124 CO -0.13 0.82 -0.19 0.00 -1.14 0.00 0.00 176.83 176.19 1fxo h ALA 125 N 0.94 0.33 -0.07 3.77 0.00 -1.33 -3.12 119.26 119.78 1fxo h ALA 125 Ca 0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1fxo h ALA 125 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1fxo h ALA 125 CO 0.01 0.26 -0.36 0.66 0.00 0.00 0.00 179.25 179.82 1fxo h SER 126 N 0.23 0.13 0.27 0.00 4.64 -0.51 -2.72 113.55 115.59 1fxo h SER 126 Ca 0.04 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1fxo h SER 126 Cb 0.73 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1fxo h SER 126 CO 0.05 0.49 -0.14 0.00 -0.87 0.00 0.00 176.83 176.37 1fxo n GLN 127 N -4.08 0.85 -2.18 4.77 6.02 0.17 -4.41 117.38 118.53 1fxo n GLN 127 Ca -0.02 -0.38 -0.36 0.00 -0.01 0.00 0.00 57.00 56.24 1fxo n GLN 127 Cb 0.43 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.20 1fxo n GLN 127 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1fxo s ARG 128 N -2.41 3.32 -0.14 -1.09 0.52 -1.03 -4.55 118.95 113.57 1fxo s ARG 128 Ca 0.29 1.72 0.15 0.00 -0.52 0.00 0.00 55.73 57.37 1fxo s ARG 128 Cb 0.20 -2.06 0.32 0.00 0.52 0.00 0.00 34.95 33.92 1fxo s ARG 128 CO 0.47 -0.90 1.16 1.04 0.02 0.00 0.00 175.30 177.09 1fxo n GLN 129 N -1.22 1.24 -3.64 3.54 6.02 -1.26 -4.74 117.38 117.32 1fxo n GLN 129 Ca 0.11 -2.68 -0.13 0.00 -0.01 0.00 0.00 57.00 54.29 1fxo n GLN 129 Cb 0.50 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 1fxo n GLN 129 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1fxo s THR 130 N -2.69 0.05 0.00 5.09 -1.32 -1.26 -4.93 115.64 110.58 1fxo s THR 130 Ca 0.32 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1fxo s THR 130 Cb 0.29 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1fxo s THR 130 CO -0.01 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1fxo n GLY 131 N 0.53 0.77 3.30 6.08 0.00 -1.26 -4.78 105.19 109.82 1fxo n GLY 131 Ca -0.19 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1fxo n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxo s ALA 132 N -1.90 1.89 -0.02 4.61 0.00 -0.45 -1.32 121.76 124.57 1fxo s ALA 132 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1fxo s ALA 132 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1fxo s ALA 132 CO 0.00 0.39 -0.14 -1.12 0.00 0.00 0.00 175.76 174.89 1fxo s SER 133 N -1.86 1.67 0.18 0.00 0.01 0.05 -0.95 113.70 112.79 1fxo s SER 133 Ca 0.08 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1fxo s SER 133 Cb -0.10 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1fxo s SER 133 CO 0.04 0.16 0.07 0.68 0.41 0.00 0.00 173.24 174.60 1fxo s VAL 134 N -0.22 0.29 -0.05 3.43 -7.23 -0.41 -1.01 120.40 115.20 1fxo s VAL 134 Ca 0.03 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.30 1fxo s VAL 134 Cb -0.07 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1fxo s VAL 134 CO -0.00 -0.28 -0.23 -0.36 -0.31 0.00 0.00 175.10 173.92 1fxo s PHE 135 N -3.93 2.20 -0.14 2.82 0.40 -1.26 -1.09 117.98 116.98 1fxo s PHE 135 Ca 0.30 -0.62 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1fxo s PHE 135 Cb 0.07 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1fxo s PHE 135 CO 0.07 -0.18 0.03 0.00 0.70 0.00 0.00 175.22 175.84 1fxo s ALA 136 N -0.15 3.33 -0.05 5.36 0.00 -0.05 -1.31 121.76 128.88 1fxo s ALA 136 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1fxo s ALA 136 Cb -0.13 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1fxo s ALA 136 CO 0.03 0.34 -0.02 -0.47 0.00 0.00 0.00 175.76 175.63 1fxo s TYR 137 N -0.10 0.65 0.05 0.00 5.04 0.11 -0.57 117.35 122.53 1fxo s TYR 137 Ca 0.05 -0.16 -0.30 0.00 -2.44 0.00 0.00 57.07 54.22 1fxo s TYR 137 Cb -0.12 -0.66 -0.09 0.00 0.35 0.00 0.00 41.96 41.43 1fxo s TYR 137 CO 0.02 -0.22 1.91 -1.58 -1.34 0.00 0.00 175.55 174.33 1fxo s HIS 138 N 1.25 1.54 0.19 4.97 5.65 -1.26 -1.14 115.29 126.49 1fxo s HIS 138 Ca -0.06 -0.30 0.07 0.00 0.25 0.00 0.00 55.06 55.01 1fxo s HIS 138 Cb -0.14 -4.20 -0.05 0.00 -1.18 0.00 0.00 32.58 27.02 1fxo s HIS 138 CO -0.02 -5.26 -0.13 0.14 -0.65 0.00 0.00 174.74 168.83 1fxo s VAL 139 N 4.04 1.59 0.21 0.89 -7.23 -0.20 -4.95 120.40 114.75 1fxo s VAL 139 Ca 0.85 -2.17 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1fxo s VAL 139 Cb -0.42 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1fxo s VAL 139 CO 0.39 -0.62 1.54 0.25 -0.31 0.00 0.00 175.10 176.36 1fxo h LEU 140 N 2.60 0.49 -6.20 1.32 5.85 -1.95 -3.40 115.31 114.02 1fxo h LEU 140 Ca -0.38 -0.26 -0.59 0.00 0.84 0.00 0.00 57.88 57.49 1fxo h LEU 140 Cb 1.21 -0.14 -0.41 0.00 0.37 0.00 0.00 40.66 41.69 1fxo h LEU 140 CO 0.63 0.94 -0.72 -0.90 -0.34 0.00 0.00 178.44 178.05 1fxo n ASP 141 N -3.94 2.80 0.29 1.25 5.75 -1.26 -4.94 116.55 116.50 1fxo n ASP 141 Ca -0.03 -3.24 0.16 0.00 -0.01 0.00 0.00 54.79 51.68 1fxo n ASP 141 Cb 0.59 -0.67 0.85 0.00 -1.03 0.00 0.00 41.12 40.87 1fxo n ASP 141 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1fxo h PRO 142 N 4.23 0.00 0.00 0.11 0.13 -1.87 -2.96 132.00 131.63 1fxo h PRO 142 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1fxo h PRO 142 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1fxo h PRO 142 CO 0.73 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 1fxo n GLU 143 N -3.46 0.11 0.00 0.86 0.00 -1.26 -1.24 120.64 115.66 1fxo n GLU 143 Ca -0.02 0.57 0.14 0.00 0.00 0.00 0.00 57.16 57.85 1fxo n GLU 143 Cb 0.19 -1.85 0.58 0.00 0.00 0.00 0.00 31.44 30.37 1fxo n GLU 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1fxo n ARG 144 N -2.08 0.23 -4.10 3.44 1.74 -1.12 -4.21 116.66 110.56 1fxo n ARG 144 Ca -0.01 -0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.82 1fxo n ARG 144 Cb 0.06 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1fxo n ARG 144 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1fxo n TYR 145 N -1.34 -0.24 -2.42 -1.55 4.02 -0.37 -4.83 117.16 110.43 1fxo n TYR 145 Ca 0.10 -2.44 -0.41 0.00 -0.01 0.00 0.00 57.90 55.14 1fxo n TYR 145 Cb 0.31 0.11 -0.04 0.00 -0.02 0.00 0.00 39.34 39.70 1fxo n TYR 145 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1fxo s GLY 146 N -3.20 2.73 -0.10 2.72 0.00 -1.26 -0.39 107.32 107.83 1fxo s GLY 146 Ca 0.26 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.92 1fxo s GLY 146 CO 0.19 1.79 -0.21 0.14 0.00 0.00 0.00 173.10 175.01 1fxo s VAL 147 N -0.12 2.38 -0.17 1.40 1.01 0.81 -0.20 120.40 125.51 1fxo s VAL 147 Ca 0.52 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1fxo s VAL 147 Cb -0.32 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1fxo s VAL 147 CO 0.36 0.55 0.02 0.54 0.00 0.00 0.00 175.10 176.58 1fxo s VAL 148 N 0.19 4.42 -0.14 2.92 0.11 -0.50 -1.59 120.40 125.81 1fxo s VAL 148 Ca -0.12 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 1fxo s VAL 148 Cb -0.16 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1fxo s VAL 148 CO 0.07 0.48 0.09 -0.70 -3.33 0.00 0.00 175.10 171.70 1fxo s GLU 149 N 0.35 3.60 0.15 1.54 2.12 -0.64 -4.44 118.70 121.40 1fxo s GLU 149 Ca 0.00 -0.26 0.09 0.00 0.36 0.00 0.00 54.97 55.16 1fxo s GLU 149 Cb -0.13 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1fxo s GLU 149 CO 0.01 0.56 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.11 1fxo s PHE 150 N -0.42 2.63 0.64 5.30 0.40 -1.26 -0.59 117.98 124.67 1fxo s PHE 150 Ca 0.10 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 1fxo s PHE 150 Cb -0.12 -1.32 0.15 0.00 0.51 0.00 0.00 43.02 42.23 1fxo s PHE 150 CO 0.02 0.47 0.87 -0.40 0.70 0.00 0.00 175.22 176.88 1fxo n ASP 151 N 0.33 0.20 0.27 1.36 5.68 -0.02 -4.89 116.55 119.48 1fxo n ASP 151 Ca -0.12 -1.40 0.13 0.00 -0.50 0.00 0.00 54.79 52.90 1fxo n ASP 151 Cb 0.54 -0.66 0.75 0.00 -1.14 0.00 0.00 41.12 40.62 1fxo n ASP 151 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1fxo h GLN 152 N 0.00 0.00 -0.01 0.11 1.08 -2.01 -1.23 115.11 113.05 1fxo h GLN 152 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1fxo h GLN 152 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1fxo h GLN 152 CO 0.21 0.10 -0.01 0.41 -0.95 0.00 0.00 178.83 178.59 1fxo n GLY 153 N -0.81 -0.36 1.07 3.46 0.00 -1.26 -4.92 105.19 102.37 1fxo n GLY 153 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1fxo n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fxo n GLY 154 N 1.13 0.75 3.70 -0.02 0.00 -0.46 -5.05 105.19 105.24 1fxo n GLY 154 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1fxo n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fxo s LYS 155 N -0.56 4.49 0.11 1.61 2.20 -1.26 -4.78 119.74 121.54 1fxo s LYS 155 Ca 0.00 1.43 -0.31 0.00 -0.36 0.00 0.00 55.97 56.73 1fxo s LYS 155 Cb 0.00 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 1fxo s LYS 155 CO 0.00 -0.19 1.66 0.00 -0.36 0.00 0.00 175.35 176.46 1fxo s ALA 156 N 1.49 3.73 -0.00 3.13 0.00 -1.26 -0.84 121.76 128.01 1fxo s ALA 156 Ca 0.51 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1fxo s ALA 156 Cb -0.20 -3.68 -0.00 0.00 0.00 0.00 0.00 23.12 19.23 1fxo s ALA 156 CO 0.24 -1.02 0.00 0.44 0.00 0.00 0.00 175.76 175.41 1fxo n ILE 157 N 4.49 0.00 -3.69 0.00 -5.35 0.24 -4.91 119.36 110.14 1fxo n ILE 157 Ca 0.16 -0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.52 1fxo n ILE 157 Cb 0.39 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.44 1fxo n ILE 157 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1fxo s SER 158 N -2.20 -0.19 -0.03 7.28 1.04 -1.18 -5.00 113.70 113.41 1fxo s SER 158 Ca -0.00 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1fxo s SER 158 Cb 0.00 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1fxo s SER 158 CO 0.00 -0.74 -0.08 -0.76 0.98 0.00 0.00 173.24 172.64 1fxo s LEU 159 N -2.42 1.68 0.00 2.42 1.43 -1.26 -1.61 118.68 118.91 1fxo s LEU 159 Ca -0.01 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1fxo s LEU 159 Cb 0.01 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1fxo s LEU 159 CO -0.07 0.04 -0.11 -1.61 0.23 0.00 0.00 176.35 174.83 1fxo s GLU 160 N 0.40 0.82 -0.27 1.70 2.02 -0.62 -4.96 118.70 117.80 1fxo s GLU 160 Ca -0.06 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.29 1fxo s GLU 160 Cb -0.11 -0.79 -0.02 0.00 0.10 0.00 0.00 34.13 33.31 1fxo s GLU 160 CO 0.01 0.21 0.52 -2.00 0.02 0.00 0.00 175.26 174.02 1fxo s GLU 161 N -0.47 4.03 -1.32 1.61 2.56 -1.26 -0.13 118.70 123.71 1fxo s GLU 161 Ca 0.03 0.28 -0.17 0.00 0.00 0.00 0.00 54.97 55.11 1fxo s GLU 161 Cb -0.05 -3.67 0.02 0.00 2.00 0.00 0.00 34.13 32.43 1fxo s GLU 161 CO -0.00 -0.38 0.48 1.63 -0.56 0.00 0.00 175.26 176.43 1fxo n LYS 162 N 5.57 -1.22 -2.24 4.30 5.02 0.48 -4.88 118.16 125.19 1fxo n LYS 162 Ca -0.04 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 1fxo n LYS 162 Cb 0.50 -3.49 -0.03 0.00 -0.02 0.00 0.00 35.03 31.98 1fxo n LYS 162 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1fxo s PRO 163 N -6.97 4.44 0.39 1.97 0.04 -1.26 -4.93 135.00 128.68 1fxo s PRO 163 Ca 0.27 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.47 1fxo s PRO 163 Cb -0.13 -3.14 0.78 0.00 0.04 0.00 0.00 34.50 32.05 1fxo s PRO 163 CO 0.94 -0.11 1.90 -0.07 0.04 0.00 0.00 177.00 179.70 1fxo h LEU 164 N 4.18 0.18 -7.11 -3.56 3.38 -1.89 -3.34 115.31 107.15 1fxo h LEU 164 Ca -0.47 -0.04 -0.62 0.00 0.09 0.00 0.00 57.88 56.84 1fxo h LEU 164 Cb 1.22 -0.05 -0.42 0.00 0.09 0.00 0.00 40.66 41.51 1fxo h LEU 164 CO 0.70 0.37 -0.60 -1.61 0.09 0.00 0.00 178.44 177.39 1fxo s GLU 165 N -4.63 2.28 0.38 1.13 2.02 -1.26 -5.00 118.70 113.61 1fxo s GLU 165 Ca -0.05 -3.13 -0.28 0.00 0.02 0.00 0.00 54.97 51.53 1fxo s GLU 165 Cb 0.15 -3.30 -0.11 0.00 0.10 0.00 0.00 34.13 30.97 1fxo s GLU 165 CO 0.73 -1.25 1.46 -2.30 0.02 0.00 0.00 175.26 173.91 1fxo n PRO 166 N 2.26 2.57 0.02 0.39 -0.02 -1.25 -4.89 135.00 134.09 1fxo n PRO 166 Ca 0.17 0.90 0.13 0.00 -2.02 0.00 0.00 63.50 62.69 1fxo n PRO 166 Cb 0.35 -2.62 0.50 0.00 -0.02 0.00 0.00 33.50 31.71 1fxo n PRO 166 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1fxo n LYS 167 N 0.41 0.06 -3.90 -0.52 5.02 -1.26 -4.88 118.16 113.09 1fxo n LYS 167 Ca 0.02 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1fxo n LYS 167 Cb 0.39 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1fxo n LYS 167 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1fxo s SER 168 N -3.34 0.07 -0.18 4.39 1.04 -1.26 -4.91 113.70 109.51 1fxo s SER 168 Ca 0.13 -1.03 0.13 0.00 0.48 0.00 0.00 55.95 55.66 1fxo s SER 168 Cb 0.17 0.75 0.70 0.00 0.10 0.00 0.00 66.02 67.74 1fxo s SER 168 CO 0.58 -1.45 1.57 0.59 0.98 0.00 0.00 173.24 175.51 1fxo n ASN 169 N -1.00 4.91 -4.52 7.02 3.02 -1.26 -4.85 115.26 118.58 1fxo n ASN 169 Ca -0.05 -2.70 -0.40 0.00 -0.03 0.00 0.00 54.58 51.40 1fxo n ASN 169 Cb 0.60 -0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 1fxo n ASN 169 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1fxo s TYR 170 N -2.35 3.23 0.17 3.10 1.51 -1.26 -1.03 117.35 120.71 1fxo s TYR 170 Ca 0.47 -0.25 -0.17 0.00 -1.01 0.00 0.00 57.07 56.11 1fxo s TYR 170 Cb 0.34 -2.47 -0.07 0.00 -0.11 0.00 0.00 41.96 39.65 1fxo s TYR 170 CO 0.16 -0.38 0.61 0.00 -1.11 0.00 0.00 175.55 174.83 1fxo s ALA 171 N 1.71 3.52 -0.06 3.71 0.00 -0.29 -1.42 121.76 128.94 1fxo s ALA 171 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1fxo s ALA 171 Cb -0.17 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1fxo s ALA 171 CO 0.10 0.41 1.01 0.08 0.00 0.00 0.00 175.76 177.36 1fxo s VAL 172 N -1.45 4.78 0.77 0.00 1.01 0.72 -0.71 120.40 125.50 1fxo s VAL 172 Ca 0.39 2.02 -0.10 0.00 0.00 0.00 0.00 61.98 64.29 1fxo s VAL 172 Cb -0.16 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.00 1fxo s VAL 172 CO 0.20 0.07 1.11 0.42 0.00 0.00 0.00 175.10 176.90 1fxo s THR 173 N 1.60 2.16 -0.04 3.92 -4.23 -0.43 -4.53 115.64 114.09 1fxo s THR 173 Ca 0.50 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1fxo s THR 173 Cb -0.20 -3.02 -0.20 0.00 1.34 0.00 0.00 72.50 70.43 1fxo s THR 173 CO 0.22 -0.02 3.30 0.61 -0.54 0.00 0.00 174.62 178.20 1fxo n GLY 174 N -3.16 3.05 2.84 3.99 0.00 -1.26 -4.76 105.19 105.90 1fxo n GLY 174 Ca 0.08 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 1fxo n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fxo s LEU 175 N -0.20 0.53 -0.01 0.99 2.96 -1.26 -1.31 118.68 120.37 1fxo s LEU 175 Ca 0.56 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.70 1fxo s LEU 175 Cb 0.28 0.19 0.02 0.00 0.50 0.00 0.00 46.19 47.18 1fxo s LEU 175 CO -0.02 -0.18 0.02 -0.31 -1.32 0.00 0.00 176.35 174.54 1fxo s TYR 176 N 1.54 0.01 -0.07 5.38 1.51 0.15 -4.36 117.35 121.51 1fxo s TYR 176 Ca -0.05 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1fxo s TYR 176 Cb -0.12 -0.12 -0.01 0.00 -0.11 0.00 0.00 41.96 41.60 1fxo s TYR 176 CO -0.05 -0.05 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.07 1fxo s PHE 177 N 0.54 2.56 0.07 2.71 0.40 -0.18 -0.06 117.98 124.02 1fxo s PHE 177 Ca -0.05 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1fxo s PHE 177 Cb -0.06 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1fxo s PHE 177 CO -0.02 -0.18 -0.12 0.71 0.70 0.00 0.00 175.22 176.32 1fxo s TYR 178 N -0.10 1.04 0.00 0.36 1.51 -0.00 -0.77 117.35 119.38 1fxo s TYR 178 Ca -0.04 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1fxo s TYR 178 Cb -0.14 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.12 1fxo s TYR 178 CO 0.04 0.01 0.00 -0.40 -1.11 0.00 0.00 175.55 174.09 1fxo n ASP 179 N 1.16 0.00 -0.01 2.29 5.68 -0.44 -1.44 116.55 123.79 1fxo n ASP 179 Ca -0.20 -0.15 0.14 0.00 -0.50 0.00 0.00 54.79 54.07 1fxo n ASP 179 Cb 0.55 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.34 1fxo n ASP 179 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fxo n GLN 180 N -0.15 1.01 0.14 0.11 6.02 -1.26 -3.50 117.38 119.75 1fxo n GLN 180 Ca 0.00 -0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.10 1fxo n GLN 180 Cb 0.00 -1.43 0.32 0.00 1.02 0.00 0.00 30.24 30.15 1fxo n GLN 180 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1fxo h GLN 181 N 0.04 0.00 -0.46 -1.09 4.20 -1.94 -3.40 115.11 112.47 1fxo h GLN 181 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1fxo h GLN 181 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1fxo h GLN 181 CO 0.00 0.00 0.05 -0.24 -0.67 0.00 0.00 178.83 177.97 1fxo h VAL 182 N 0.00 1.25 -0.44 -0.54 3.04 -1.94 -2.38 116.25 115.24 1fxo h VAL 182 Ca 0.00 -0.95 0.02 0.00 -1.01 0.00 0.00 66.70 64.76 1fxo h VAL 182 Cb 0.83 0.98 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 1fxo h VAL 182 CO 0.00 0.33 0.27 0.58 -1.01 0.00 0.00 177.57 177.74 1fxo h VAL 183 N 0.63 1.06 -0.12 1.51 2.07 -1.87 0.95 116.25 120.48 1fxo h VAL 183 Ca 0.14 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1fxo h VAL 183 Cb 0.42 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1fxo h VAL 183 CO 0.01 0.10 -0.43 0.44 0.02 0.00 0.00 177.57 177.71 1fxo h ASP 184 N 0.54 0.28 -0.39 0.57 3.32 -1.81 -0.32 116.42 118.60 1fxo h ASP 184 Ca 0.17 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1fxo h ASP 184 Cb -0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1fxo h ASP 184 CO -0.07 0.68 0.12 0.40 -1.72 0.00 0.00 179.24 178.65 1fxo h ILE 185 N 0.22 1.21 -0.12 0.35 2.04 -1.05 -2.84 117.51 117.32 1fxo h ILE 185 Ca 0.02 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 1fxo h ILE 185 Cb 0.85 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1fxo h ILE 185 CO 0.07 0.25 -0.39 0.00 0.00 0.00 0.00 178.15 178.07 1fxo h ALA 186 N 0.97 1.12 0.00 1.87 0.00 -0.02 -2.27 119.26 120.92 1fxo h ALA 186 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1fxo h ALA 186 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fxo h ALA 186 CO -0.00 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 1fxo h ARG 187 N 0.22 0.00 -0.01 0.00 3.08 -0.95 -2.69 114.38 114.03 1fxo h ARG 187 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1fxo h ARG 187 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1fxo h ARG 187 CO 0.06 0.16 -0.27 -0.25 -1.07 0.00 0.00 179.97 178.60 1fxo n ASP 188 N -4.17 1.19 -4.77 7.04 8.00 -0.87 -4.94 116.55 118.03 1fxo n ASP 188 Ca -0.02 -1.01 -0.34 0.00 0.71 0.00 0.00 54.79 54.12 1fxo n ASP 188 Cb 0.23 0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1fxo n ASP 188 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fxo s LEU 189 N -2.47 3.59 0.20 0.64 1.43 -1.02 -5.06 118.68 115.99 1fxo s LEU 189 Ca 0.24 2.09 0.11 0.00 -1.03 0.00 0.00 54.13 55.54 1fxo s LEU 189 Cb 0.19 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1fxo s LEU 189 CO 0.51 -1.40 -0.19 -0.54 0.23 0.00 0.00 176.35 174.97 1fxo s LYS 190 N -3.66 1.71 0.45 1.70 -0.14 -1.26 -5.08 119.74 113.46 1fxo s LYS 190 Ca 0.70 -1.48 -0.25 0.00 -1.36 0.00 0.00 55.97 53.58 1fxo s LYS 190 Cb -0.22 -1.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.91 1fxo s LYS 190 CO 0.33 0.40 1.41 -2.30 -0.76 0.00 0.00 175.35 174.43 1fxo n PRO 191 N 0.08 2.19 -1.76 -1.68 -0.02 -1.26 -4.75 135.00 127.78 1fxo n PRO 191 Ca -0.11 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1fxo n PRO 191 Cb 0.56 -2.60 0.19 0.00 -0.02 0.00 0.00 33.50 31.64 1fxo n PRO 191 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fxo s SER 192 N -0.50 2.81 0.24 2.55 1.04 -0.34 -4.80 113.70 114.70 1fxo s SER 192 Ca 0.62 0.38 0.19 0.00 0.48 0.00 0.00 55.95 57.62 1fxo s SER 192 Cb -0.46 -0.50 0.94 0.00 0.10 0.00 0.00 66.02 66.10 1fxo s SER 192 CO 0.57 -2.93 1.60 -2.65 0.98 0.00 0.00 173.24 170.80 1fxo n PRO 193 N -3.92 0.13 0.00 4.02 -0.02 -1.26 0.56 135.00 134.52 1fxo n PRO 193 Ca 0.14 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1fxo n PRO 193 Cb 0.60 -1.85 0.40 0.00 -0.02 0.00 0.00 33.50 32.62 1fxo n PRO 193 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fxo n ARG 194 N -2.12 0.88 -1.19 -0.52 1.74 -1.26 -4.97 116.66 109.22 1fxo n ARG 194 Ca 0.00 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 1fxo n ARG 194 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1fxo n ARG 194 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fxo n GLY 195 N 1.33 0.46 3.33 -0.13 0.00 0.19 -5.06 105.19 105.30 1fxo n GLY 195 Ca 0.13 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1fxo n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fxo s GLU 196 N -2.40 1.25 -0.43 1.61 0.41 -1.26 -4.72 118.70 113.16 1fxo s GLU 196 Ca 0.00 -1.38 -0.24 0.00 -0.41 0.00 0.00 54.97 52.94 1fxo s GLU 196 Cb 0.00 -1.32 0.02 0.00 -1.78 0.00 0.00 34.13 31.06 1fxo s GLU 196 CO 0.00 0.27 0.83 -0.51 -0.49 0.00 0.00 175.26 175.36 1fxo s LEU 197 N -2.60 4.14 -0.13 1.80 1.43 0.31 -1.20 118.68 122.42 1fxo s LEU 197 Ca 0.15 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 1fxo s LEU 197 Cb -0.06 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1fxo s LEU 197 CO 0.06 -0.92 0.34 -1.61 0.23 0.00 0.00 176.35 174.45 1fxo s GLU 198 N 3.40 4.21 0.43 1.70 0.41 -1.26 -1.75 118.70 125.84 1fxo s GLU 198 Ca 0.33 0.19 0.15 0.00 -0.41 0.00 0.00 54.97 55.23 1fxo s GLU 198 Cb -0.12 -3.40 0.95 0.00 -1.78 0.00 0.00 34.13 29.79 1fxo s GLU 198 CO 0.22 0.29 1.94 0.97 -0.49 0.00 0.00 175.26 178.20 1fxo h ILE 199 N 4.56 1.12 -0.22 -1.63 6.09 -1.95 -1.77 117.51 123.71 1fxo h ILE 199 Ca -0.43 -0.84 -0.03 0.00 -1.37 0.00 0.00 64.86 62.20 1fxo h ILE 199 Cb 1.18 1.46 -0.01 0.00 0.47 0.00 0.00 36.82 39.91 1fxo h ILE 199 CO 0.73 0.24 0.02 0.74 -3.07 0.00 0.00 178.15 176.81 1fxo h THR 200 N 0.00 1.13 -0.25 2.19 2.02 -1.99 0.50 112.91 116.52 1fxo h THR 200 Ca -0.00 -0.50 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 1fxo h THR 200 Cb 0.44 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1fxo h THR 200 CO 0.03 0.17 -0.53 0.44 0.37 0.00 0.00 175.52 176.00 1fxo h ASP 201 N 0.32 0.80 -0.02 4.18 3.32 -1.74 0.28 116.42 123.57 1fxo h ASP 201 Ca 0.08 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.71 1fxo h ASP 201 Cb 0.19 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1fxo h ASP 201 CO 0.00 1.18 -0.04 0.58 -1.72 0.00 0.00 179.24 179.24 1fxo h VAL 202 N 0.56 0.88 -0.49 -1.35 2.07 -1.10 -1.16 116.25 115.66 1fxo h VAL 202 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1fxo h VAL 202 Cb 1.11 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1fxo h VAL 202 CO 0.11 0.00 0.04 0.78 0.02 0.00 0.00 177.57 178.52 1fxo h ASN 203 N -0.07 0.76 -0.08 0.57 2.35 -0.73 -1.80 115.58 116.59 1fxo h ASN 203 Ca 0.03 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1fxo h ASN 203 Cb 0.10 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1fxo h ASN 203 CO -0.06 0.81 -0.16 -0.09 -1.65 0.00 0.00 177.43 176.27 1fxo h ARG 204 N 0.75 0.44 -0.27 0.81 2.43 -0.85 -0.22 114.38 117.48 1fxo h ARG 204 Ca 0.15 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1fxo h ARG 204 Cb 0.41 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1fxo h ARG 204 CO 0.01 0.60 0.17 0.00 -1.51 0.00 0.00 179.97 179.24 1fxo h ALA 205 N 1.43 0.34 -0.58 2.80 0.00 -0.34 0.02 119.26 122.93 1fxo h ALA 205 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fxo h ALA 205 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1fxo h ALA 205 CO 0.03 -0.20 0.38 1.88 0.00 0.00 0.00 179.25 181.34 1fxo h TYR 206 N 0.35 0.71 -0.79 0.00 -1.99 -1.12 -2.94 116.97 111.19 1fxo h TYR 206 Ca 0.10 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.91 1fxo h TYR 206 Cb -0.02 -0.24 -0.06 0.00 2.00 0.00 0.00 36.73 38.41 1fxo h TYR 206 CO -0.07 0.44 0.48 1.25 -0.00 0.00 0.00 178.16 180.27 1fxo h LEU 207 N 0.77 0.76 -2.36 3.88 5.85 -0.49 0.12 115.31 123.84 1fxo h LEU 207 Ca 0.22 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1fxo h LEU 207 Cb -0.07 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1fxo h LEU 207 CO -0.06 0.50 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.18 1fxo h GLU 208 N 0.90 0.00 -0.26 1.25 5.08 -0.89 -1.35 114.58 119.30 1fxo h GLU 208 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1fxo h GLU 208 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1fxo h GLU 208 CO -0.16 0.03 0.00 0.54 -1.00 0.00 0.00 179.01 178.42 1fxo n ARG 209 N -3.72 2.31 -2.39 2.33 1.74 -0.63 -4.93 116.66 111.38 1fxo n ARG 209 Ca -0.03 -1.97 -0.12 0.00 -0.77 0.00 0.00 57.85 54.97 1fxo n ARG 209 Cb 0.12 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1fxo n ARG 209 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fxo n GLY 210 N 1.40 -0.08 0.12 -0.13 0.00 -0.51 -4.92 105.19 101.08 1fxo n GLY 210 Ca 0.18 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1fxo n GLY 210 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fxo n GLN 211 N -2.30 1.30 -3.71 1.61 6.02 -0.07 -4.96 117.38 115.28 1fxo n GLN 211 Ca -0.11 -2.18 -0.37 0.00 -0.01 0.00 0.00 57.00 54.32 1fxo n GLN 211 Cb 0.59 -1.28 -0.12 0.00 1.02 0.00 0.00 30.24 30.45 1fxo n GLN 211 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1fxo s LEU 212 N -2.19 3.73 -0.30 1.08 2.96 -1.21 -1.34 118.68 121.42 1fxo s LEU 212 Ca 0.23 -0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 1fxo s LEU 212 Cb 0.20 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1fxo s LEU 212 CO 0.02 -0.10 0.41 -0.55 -1.32 0.00 0.00 176.35 174.81 1fxo s SER 213 N 1.62 6.27 -0.38 3.68 0.15 -0.12 -4.90 113.70 120.01 1fxo s SER 213 Ca 0.06 0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.78 1fxo s SER 213 Cb -0.16 -2.22 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1fxo s SER 213 CO 0.05 -0.27 0.20 -0.69 1.20 0.00 0.00 173.24 173.73 1fxo s VAL 214 N 2.14 4.25 -0.15 4.45 1.01 -1.26 -1.29 120.40 129.56 1fxo s VAL 214 Ca 0.16 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1fxo s VAL 214 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1fxo s VAL 214 CO 0.11 -0.32 0.13 -1.61 0.00 0.00 0.00 175.10 173.41 1fxo s GLU 215 N 1.47 3.68 0.09 2.72 0.41 -0.25 -4.92 118.70 121.90 1fxo s GLU 215 Ca 0.01 -0.18 -0.31 0.00 -0.41 0.00 0.00 54.97 54.09 1fxo s GLU 215 Cb -0.21 -3.24 -0.06 0.00 -1.78 0.00 0.00 34.13 28.84 1fxo s GLU 215 CO 0.04 0.60 1.24 0.42 -0.49 0.00 0.00 175.26 177.07 1fxo s ILE 216 N -0.52 3.82 -0.42 -1.63 -1.09 -1.26 -0.88 121.20 119.23 1fxo s ILE 216 Ca 0.12 1.34 -0.14 0.00 -2.23 0.00 0.00 60.65 59.74 1fxo s ILE 216 Cb -0.12 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1fxo s ILE 216 CO 0.02 0.12 0.30 -0.32 -1.23 0.00 0.00 174.94 173.83 1fxo s MET 217 N 0.88 2.93 0.94 2.79 -2.45 0.27 -4.85 119.30 119.80 1fxo s MET 217 Ca 0.59 -1.13 -0.12 0.00 -1.25 0.00 0.00 55.69 53.79 1fxo s MET 217 Cb -0.31 -3.96 0.16 0.00 1.25 0.00 0.00 34.83 31.96 1fxo s MET 217 CO 0.30 -0.81 1.09 0.20 1.05 0.00 0.00 175.02 176.85 1fxo s GLY 218 N 1.88 1.60 0.52 2.11 0.00 -1.26 -4.50 107.32 107.66 1fxo s GLY 218 Ca 0.04 -0.10 0.35 0.00 0.00 0.00 0.00 44.72 45.01 1fxo s GLY 218 CO 0.08 0.43 2.06 0.07 0.00 0.00 0.00 173.10 175.75 1fxo h ARG 219 N -1.74 0.00 0.00 2.90 0.11 -1.97 -1.17 114.38 112.51 1fxo h ARG 219 Ca -0.51 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.56 1fxo h ARG 219 Cb 1.30 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 1fxo h ARG 219 CO 0.54 0.00 -0.02 0.78 0.10 0.00 0.00 179.97 181.37 1fxo h GLY 220 N 0.41 0.00 -2.97 0.08 0.00 -1.98 -3.44 103.07 95.17 1fxo h GLY 220 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1fxo h GLY 220 CO 0.00 0.00 -0.02 -0.19 0.00 0.00 0.00 176.54 176.33 1fxo s TYR 221 N -3.70 3.45 -0.23 5.60 1.51 -0.44 -4.71 117.35 118.83 1fxo s TYR 221 Ca 0.01 0.88 -0.09 0.00 -1.01 0.00 0.00 57.07 56.85 1fxo s TYR 221 Cb 0.09 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1fxo s TYR 221 CO 0.55 0.08 0.13 0.00 -1.11 0.00 0.00 175.55 175.20 1fxo s ALA 222 N -2.13 3.51 -0.24 3.71 0.00 0.69 -4.95 121.76 122.35 1fxo s ALA 222 Ca 0.48 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1fxo s ALA 222 Cb -0.11 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.85 1fxo s ALA 222 CO 0.28 -0.17 -0.10 -0.46 0.00 0.00 0.00 175.76 175.31 1fxo s TRP 223 N 1.01 2.87 0.09 0.00 -0.00 -1.26 -0.78 118.94 120.86 1fxo s TRP 223 Ca 0.06 -2.02 0.10 0.00 -0.00 0.00 0.00 56.10 54.25 1fxo s TRP 223 Cb -0.14 -1.79 -0.04 0.00 -0.00 0.00 0.00 33.47 31.51 1fxo s TRP 223 CO 0.04 -0.83 -0.26 -0.51 -0.00 0.00 0.00 176.95 175.39 1fxo s LEU 224 N 1.24 2.31 -0.18 5.86 1.43 0.29 -4.99 118.68 124.64 1fxo s LEU 224 Ca -0.06 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1fxo s LEU 224 Cb -0.19 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.76 1fxo s LEU 224 CO -0.06 0.21 -0.14 -0.62 0.23 0.00 0.00 176.35 175.97 1fxo s ASP 225 N -1.74 3.60 -0.49 2.29 -1.08 -1.26 -0.52 116.67 117.47 1fxo s ASP 225 Ca 0.13 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.67 1fxo s ASP 225 Cb -0.10 -1.57 0.62 0.00 -1.46 0.00 0.00 42.92 40.41 1fxo s ASP 225 CO 0.05 0.02 1.93 0.35 0.52 0.00 0.00 175.17 178.04 1fxo n THR 226 N 4.52 3.28 0.14 1.71 -2.24 -0.34 -4.57 114.28 116.78 1fxo n THR 226 Ca -0.20 -2.14 0.05 0.00 -2.27 0.00 0.00 64.05 59.50 1fxo n THR 226 Cb 0.51 -0.60 0.22 0.00 -2.10 0.00 0.00 70.33 68.36 1fxo n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fxo n GLY 227 N -1.10 1.90 3.20 3.38 0.00 -1.26 -4.26 105.19 107.05 1fxo n GLY 227 Ca 0.60 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1fxo n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fxo s THR 228 N -1.82 0.92 0.13 2.61 -4.23 -1.26 -4.93 115.64 107.06 1fxo s THR 228 Ca 0.31 -1.96 -0.21 0.00 -1.18 0.00 0.00 61.69 58.65 1fxo s THR 228 Cb 0.21 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 1fxo s THR 228 CO 0.13 -0.79 1.70 0.45 -0.54 0.00 0.00 174.62 175.57 1fxo h HIS 229 N 2.94 -0.18 -0.26 3.99 3.86 -1.97 -1.46 115.15 122.09 1fxo h HIS 229 Ca -0.36 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1fxo h HIS 229 Cb 1.18 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1fxo h HIS 229 CO 0.62 -0.12 0.15 -0.44 0.86 0.00 0.00 177.93 179.00 1fxo h ASP 230 N -0.06 0.31 0.09 2.45 3.32 -1.97 -2.85 116.42 117.71 1fxo h ASP 230 Ca 0.09 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1fxo h ASP 230 Cb 0.19 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1fxo h ASP 230 CO -0.20 0.27 -0.18 0.77 -1.72 0.00 0.00 179.24 178.18 1fxo h SER 231 N 0.32 0.18 -0.62 6.45 4.64 -1.83 -1.70 113.55 120.99 1fxo h SER 231 Ca 0.09 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1fxo h SER 231 Cb 0.02 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1fxo h SER 231 CO -0.02 0.38 0.32 0.25 -0.87 0.00 0.00 176.83 176.89 1fxo h LEU 232 N 0.18 0.79 -0.47 5.97 5.85 -1.23 0.61 115.31 127.01 1fxo h LEU 232 Ca 0.03 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1fxo h LEU 232 Cb 0.43 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1fxo h LEU 232 CO 0.03 0.68 0.16 -0.07 -0.34 0.00 0.00 178.44 178.90 1fxo h LEU 233 N 0.84 0.67 -0.52 2.25 3.38 -1.21 -0.06 115.31 120.66 1fxo h LEU 233 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1fxo h LEU 233 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1fxo h LEU 233 CO -0.03 0.68 0.27 -0.33 0.09 0.00 0.00 178.44 179.12 1fxo h GLU 234 N 0.62 0.73 -0.81 1.13 5.08 -1.17 -1.14 114.58 119.02 1fxo h GLU 234 Ca 0.15 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1fxo h GLU 234 Cb 0.24 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1fxo h GLU 234 CO -0.01 0.58 0.38 0.00 -1.00 0.00 0.00 179.01 178.96 1fxo h ALA 235 N 1.11 1.05 -0.41 3.43 0.00 -0.63 -0.97 119.26 122.84 1fxo h ALA 235 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fxo h ALA 235 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1fxo h ALA 235 CO -0.03 0.62 0.17 0.78 0.00 0.00 0.00 179.25 180.80 1fxo h GLY 236 N 1.15 0.65 1.69 0.00 0.00 -0.69 -1.59 103.07 104.29 1fxo h GLY 236 Ca 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1fxo h GLY 236 CO -0.03 0.32 -0.18 -1.61 0.00 0.00 0.00 176.54 175.04 1fxo h GLN 237 N 0.52 0.37 -0.00 4.80 5.75 -0.98 -0.68 115.11 124.89 1fxo h GLN 237 Ca 0.14 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1fxo h GLN 237 Cb 0.17 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1fxo h GLN 237 CO -0.01 0.55 0.00 0.35 -2.65 0.00 0.00 178.83 177.07 1fxo h PHE 238 N 0.34 0.01 -0.51 3.99 3.57 -0.75 -0.81 116.94 122.77 1fxo h PHE 238 Ca 0.06 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1fxo h PHE 238 Cb 0.52 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1fxo h PHE 238 CO 0.01 0.10 0.17 0.82 -2.23 0.00 0.00 178.31 177.19 1fxo h ILE 239 N -0.09 1.23 -0.88 1.41 1.08 -1.18 -2.44 117.51 116.64 1fxo h ILE 239 Ca 0.00 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1fxo h ILE 239 Cb 0.10 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 1fxo h ILE 239 CO -0.00 0.28 0.45 0.00 -0.69 0.00 0.00 178.15 178.19 1fxo h ALA 240 N 1.03 1.14 -0.23 1.87 0.00 -0.91 0.55 119.26 122.71 1fxo h ALA 240 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fxo h ALA 240 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1fxo h ALA 240 CO -0.01 0.67 0.03 1.15 0.00 0.00 0.00 179.25 181.09 1fxo h THR 241 N 1.24 1.23 -0.32 0.00 2.02 -0.96 -0.69 112.91 115.44 1fxo h THR 241 Ca 0.31 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1fxo h THR 241 Cb 0.07 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1fxo h THR 241 CO -0.04 0.25 0.13 -0.07 0.37 0.00 0.00 175.52 176.16 1fxo h LEU 242 N 0.18 0.44 -0.52 2.58 3.38 -1.15 -2.02 115.31 118.18 1fxo h LEU 242 Ca 0.07 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1fxo h LEU 242 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1fxo h LEU 242 CO 0.01 0.47 0.02 -0.33 0.09 0.00 0.00 178.44 178.70 1fxo h GLU 243 N 0.37 0.91 0.00 1.13 5.08 -0.69 -0.83 114.58 120.56 1fxo h GLU 243 Ca 0.11 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1fxo h GLU 243 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1fxo h GLU 243 CO -0.01 0.93 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.64 1fxo h ASN 244 N 0.79 0.00 -0.11 1.42 2.35 -1.15 0.61 115.58 119.49 1fxo h ASN 244 Ca 0.15 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1fxo h ASN 244 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1fxo h ASN 244 CO 0.02 0.38 -0.38 -0.09 -1.65 0.00 0.00 177.43 175.71 1fxo h ARG 245 N 0.00 0.45 0.00 0.81 9.65 -1.03 -3.38 114.38 120.88 1fxo h ARG 245 Ca -0.00 -0.34 -0.19 0.00 -1.10 0.00 0.00 59.98 58.35 1fxo h ARG 245 Cb 0.97 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.58 1fxo h ARG 245 CO 0.05 0.96 -1.47 1.04 2.80 0.00 0.00 179.97 183.35 1fxo n GLN 246 N -4.34 0.62 -1.30 0.20 6.02 -0.35 -4.95 117.38 113.29 1fxo n GLN 246 Ca -0.08 0.24 -0.10 0.00 -0.01 0.00 0.00 57.00 57.06 1fxo n GLN 246 Cb 0.53 -1.81 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 1fxo n GLN 246 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fxo n GLY 247 N 1.43 1.10 3.45 1.08 0.00 0.19 -5.02 105.19 107.43 1fxo n GLY 247 Ca -0.11 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1fxo n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fxo s LEU 248 N -2.21 2.53 -0.02 0.99 1.43 -1.24 -5.09 118.68 115.06 1fxo s LEU 248 Ca 0.00 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1fxo s LEU 248 Cb 0.00 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1fxo s LEU 248 CO 0.00 0.07 -0.07 -0.54 0.23 0.00 0.00 176.35 176.04 1fxo s LYS 249 N -3.20 2.60 -0.04 1.70 1.02 -1.26 -4.32 119.74 116.23 1fxo s LYS 249 Ca 0.27 -0.67 -0.21 0.00 0.02 0.00 0.00 55.97 55.38 1fxo s LYS 249 Cb -0.06 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1fxo s LYS 249 CO 0.13 0.62 0.59 0.08 -0.92 0.00 0.00 175.35 175.85 1fxo s VAL 250 N -0.93 5.00 -1.12 3.17 1.01 -1.26 -4.47 120.40 121.80 1fxo s VAL 250 Ca 0.15 1.22 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1fxo s VAL 250 Cb -0.11 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1fxo s VAL 250 CO 0.05 0.36 0.98 0.00 0.00 0.00 0.00 175.10 176.49 1fxo n ALA 251 N 3.15 -1.21 -2.67 5.51 0.00 -1.26 -4.97 120.51 119.06 1fxo n ALA 251 Ca -0.06 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1fxo n ALA 251 Cb 0.51 -4.29 -0.05 0.00 0.00 0.00 0.00 19.45 15.61 1fxo n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fxo h PRO 253 N 9.09 0.79 -0.64 0.00 0.11 -1.93 -1.31 132.00 138.11 1fxo h PRO 253 Ca -0.26 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1fxo h PRO 253 Cb 1.09 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1fxo h PRO 253 CO 1.00 0.52 0.38 0.93 -0.21 0.00 0.00 178.00 180.62 1fxo h GLU 254 N 0.81 0.87 0.18 1.05 3.07 -1.96 0.44 114.58 119.05 1fxo h GLU 254 Ca 0.36 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1fxo h GLU 254 Cb 0.34 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1fxo h GLU 254 CO -0.14 0.63 -0.10 1.49 -1.40 0.00 0.00 179.01 179.49 1fxo h GLU 255 N 0.87 -0.25 -0.77 2.33 4.81 -1.69 -1.76 114.58 118.12 1fxo h GLU 255 Ca 0.23 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1fxo h GLU 255 Cb -0.02 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1fxo h GLU 255 CO -0.04 -0.17 0.32 0.82 -0.73 0.00 0.00 179.01 179.21 1fxo h ILE 256 N -0.26 1.25 -0.62 2.32 2.04 -0.98 -0.20 117.51 121.06 1fxo h ILE 256 Ca -0.02 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1fxo h ILE 256 Cb 0.21 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1fxo h ILE 256 CO 0.03 0.32 0.26 0.00 0.00 0.00 0.00 178.15 178.76 1fxo h ALA 257 N 1.24 0.81 -0.50 1.87 0.00 -0.85 -1.26 119.26 120.57 1fxo h ALA 257 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fxo h ALA 257 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fxo h ALA 257 CO -0.02 0.41 0.27 -0.92 0.00 0.00 0.00 179.25 178.99 1fxo h TYR 258 N 0.86 0.68 0.00 0.00 3.20 -0.90 0.56 116.97 121.37 1fxo h TYR 258 Ca 0.21 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1fxo h TYR 258 Cb 0.18 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1fxo h TYR 258 CO 0.01 0.51 -0.35 0.00 -1.64 0.00 0.00 178.16 176.68 1fxo h ARG 259 N 0.66 0.00 -0.01 1.82 3.08 -0.48 -1.75 114.38 117.70 1fxo h ARG 259 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1fxo h ARG 259 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1fxo h ARG 259 CO -0.03 0.35 -0.11 1.04 -1.07 0.00 0.00 179.97 180.15 1fxo n GLN 260 N -4.09 1.09 -1.37 0.04 1.13 -0.53 -4.92 117.38 108.73 1fxo n GLN 260 Ca -0.02 -0.55 -0.09 0.00 -1.94 0.00 0.00 57.00 54.40 1fxo n GLN 260 Cb 0.39 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.22 1fxo n GLN 260 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fxo n LYS 261 N -0.48 -0.64 0.18 -1.09 5.02 -0.66 -4.90 118.16 115.59 1fxo n LYS 261 Ca 0.16 0.77 0.06 0.00 -2.02 0.00 0.00 58.31 57.28 1fxo n LYS 261 Cb 0.31 -4.67 0.23 0.00 -0.02 0.00 0.00 35.03 30.88 1fxo n LYS 261 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1fxo h TRP 262 N 0.00 0.00 -3.76 2.13 6.55 -1.13 -3.44 115.95 116.30 1fxo h TRP 262 Ca -0.19 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.30 1fxo h TRP 262 Cb 0.66 0.00 -0.19 0.00 -0.86 0.00 0.00 29.16 28.77 1fxo h TRP 262 CO 0.25 0.38 -0.75 0.96 -1.05 0.00 0.00 178.44 178.24 1fxo s ILE 263 N -3.33 1.02 0.51 1.49 -4.36 -1.15 -4.39 121.20 111.00 1fxo s ILE 263 Ca 0.02 -1.55 0.09 0.00 -0.26 0.00 0.00 60.65 58.95 1fxo s ILE 263 Cb 0.09 -1.28 0.06 0.00 1.25 0.00 0.00 42.46 42.58 1fxo s ILE 263 CO 0.70 -0.46 0.70 1.51 0.24 0.00 0.00 174.94 177.64 1fxo s ASP 264 N -2.25 5.32 0.28 4.36 1.47 -1.26 -4.43 116.67 120.16 1fxo s ASP 264 Ca 0.04 -0.65 0.02 0.00 1.18 0.00 0.00 52.55 53.14 1fxo s ASP 264 Cb -0.05 -0.12 0.62 0.00 -0.34 0.00 0.00 42.92 43.03 1fxo s ASP 264 CO 0.01 -1.11 1.79 0.00 0.68 0.00 0.00 175.17 176.55 1fxo h ALA 265 N 0.35 1.52 -0.77 2.11 0.00 -1.99 -0.57 119.26 119.91 1fxo h ALA 265 Ca -0.34 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1fxo h ALA 265 Cb 1.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1fxo h ALA 265 CO 0.43 0.04 0.35 0.00 0.00 0.00 0.00 179.25 180.07 1fxo h ALA 266 N 1.58 1.00 -0.27 0.00 0.00 -1.99 -1.24 119.26 118.34 1fxo h ALA 266 Ca 0.52 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1fxo h ALA 266 Cb 0.69 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1fxo h ALA 266 CO -0.33 0.58 -0.16 1.96 0.00 0.00 0.00 179.25 181.30 1fxo h GLN 267 N 1.10 0.58 -0.92 0.00 4.20 -1.68 -2.27 115.11 116.12 1fxo h GLN 267 Ca 0.26 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1fxo h GLN 267 Cb 0.15 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1fxo h GLN 267 CO -0.03 0.84 0.61 1.25 -0.67 0.00 0.00 178.83 180.83 1fxo h LEU 268 N 0.32 1.03 -0.31 1.46 5.85 -0.88 -1.56 115.31 121.21 1fxo h LEU 268 Ca 0.06 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1fxo h LEU 268 Cb 0.68 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1fxo h LEU 268 CO 0.04 0.72 0.10 -0.08 -0.34 0.00 0.00 178.44 178.89 1fxo h GLU 269 N 1.20 0.49 -0.39 1.25 4.81 -1.09 -1.43 114.58 119.43 1fxo h GLU 269 Ca 0.35 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1fxo h GLU 269 Cb -0.06 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1fxo h GLU 269 CO -0.09 0.53 0.26 -0.22 -0.73 0.00 0.00 179.01 178.75 1fxo h LYS 270 N 0.35 0.38 -0.08 1.92 3.64 -0.77 -2.25 116.57 119.76 1fxo h LYS 270 Ca 0.10 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1fxo h LYS 270 Cb 0.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1fxo h LYS 270 CO -0.00 0.25 -0.69 -0.07 -2.27 0.00 0.00 179.45 176.66 1fxo h LEU 271 N 0.39 0.43 -0.95 5.20 3.38 -0.70 -3.23 115.31 119.82 1fxo h LEU 271 Ca 0.16 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1fxo h LEU 271 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1fxo h LEU 271 CO -0.04 0.99 -0.32 0.00 0.09 0.00 0.00 178.44 179.17 1fxo h ALA 272 N 1.00 1.11 -0.20 1.53 0.00 -0.70 -3.37 119.26 118.64 1fxo h ALA 272 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1fxo h ALA 272 Cb 1.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1fxo h ALA 272 CO 0.12 0.56 -0.29 0.00 0.00 0.00 0.00 179.25 179.64 1fxo h ALA 273 N 1.34 -0.56 0.00 0.00 0.00 -1.50 0.53 119.26 119.08 1fxo h ALA 273 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fxo h ALA 273 Cb 0.72 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1fxo h ALA 273 CO 0.06 -0.69 0.00 -0.35 0.00 0.00 0.00 179.25 178.26 1fxo n PRO 274 N -4.08 0.46 -0.01 0.00 -0.04 -1.26 -1.07 135.00 128.99 1fxo n PRO 274 Ca -0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1fxo n PRO 274 Cb 0.18 -1.36 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1fxo n PRO 274 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fxo n LEU 275 N -0.86 1.48 0.29 1.53 4.77 0.02 -4.78 117.00 119.45 1fxo n LEU 275 Ca 0.08 -1.28 0.16 0.00 -0.03 0.00 0.00 56.01 54.93 1fxo n LEU 275 Cb 0.04 -0.01 0.88 0.00 -2.33 0.00 0.00 43.42 41.99 1fxo n LEU 275 CO 0.06 0.35 1.06 0.00 -1.33 0.00 0.00 177.39 177.53 1fxo h ALA 276 N 0.46 1.28 -0.06 -1.18 0.00 0.51 -1.70 119.26 118.57 1fxo h ALA 276 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fxo h ALA 276 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fxo h ALA 276 CO 0.00 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1fxo n LYS 277 N -3.56 1.16 -4.33 0.00 5.02 -1.26 -4.47 118.16 110.72 1fxo n LYS 277 Ca -0.02 -0.25 -0.17 0.00 -2.02 0.00 0.00 58.31 55.85 1fxo n LYS 277 Cb 0.16 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 1fxo n LYS 277 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fxo s ASN 278 N -1.16 1.28 0.45 4.39 2.20 -0.67 -5.04 114.94 116.39 1fxo s ASN 278 Ca 0.11 -1.41 0.19 0.00 -0.94 0.00 0.00 52.86 50.82 1fxo s ASN 278 Cb 0.06 0.19 1.05 0.00 -2.00 0.00 0.00 41.25 40.54 1fxo s ASN 278 CO 0.09 -0.75 1.95 1.23 -2.94 0.00 0.00 177.10 176.68 1fxo h GLY 279 N 2.35 0.00 0.88 0.45 0.00 -1.87 -2.17 103.07 102.71 1fxo h GLY 279 Ca -0.38 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1fxo h GLY 279 CO 0.60 0.00 -0.25 -1.82 0.00 0.00 0.00 176.54 175.07 1fxo h TYR 280 N 0.00 0.68 -0.28 5.60 3.20 -1.95 -1.51 116.97 122.70 1fxo h TYR 280 Ca -0.00 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.52 1fxo h TYR 280 Cb 0.48 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1fxo h TYR 280 CO 0.00 0.91 -0.39 0.78 -1.64 0.00 0.00 178.16 177.82 1fxo h GLY 281 N 0.24 0.73 1.66 1.82 0.00 -1.25 -1.91 103.07 104.35 1fxo h GLY 281 Ca 0.03 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 1fxo h GLY 281 CO 0.06 0.66 -0.14 1.46 0.00 0.00 0.00 176.54 178.58 1fxo h GLN 282 N 0.55 0.42 0.05 4.80 4.20 -1.32 -1.73 115.11 122.07 1fxo h GLN 282 Ca 0.05 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1fxo h GLN 282 Cb 0.92 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1fxo h GLN 282 CO 0.08 0.55 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.85 1fxo h TYR 283 N 0.39 -0.06 -0.75 2.96 3.20 -0.82 -0.98 116.97 120.91 1fxo h TYR 283 Ca 0.07 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.03 1fxo h TYR 283 Cb 0.47 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.69 1fxo h TYR 283 CO 0.01 0.22 0.41 -0.07 -1.64 0.00 0.00 178.16 177.09 1fxo h LEU 284 N -0.33 0.56 -0.74 2.82 3.38 -1.01 -1.39 115.31 118.60 1fxo h LEU 284 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1fxo h LEU 284 Cb 0.30 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1fxo h LEU 284 CO 0.01 0.33 0.49 0.11 0.09 0.00 0.00 178.44 179.46 1fxo h LYS 285 N 0.69 0.98 -0.73 1.13 1.57 -1.12 -2.70 116.57 116.39 1fxo h LYS 285 Ca 0.36 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1fxo h LYS 285 Cb 0.34 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1fxo h LYS 285 CO -0.25 0.65 0.48 -0.09 -0.57 0.00 0.00 179.45 179.67 1fxo h ARG 286 N 1.00 0.76 0.00 3.15 2.43 -0.14 -1.48 114.38 120.11 1fxo h ARG 286 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1fxo h ARG 286 Cb -0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1fxo h ARG 286 CO -0.06 0.51 0.00 -0.07 -1.51 0.00 0.00 179.97 178.84 1fxo h LEU 287 N 0.79 0.00 -1.13 3.80 3.38 -0.99 -2.66 115.31 118.49 1fxo h LEU 287 Ca 0.31 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 1fxo h LEU 287 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1fxo h LEU 287 CO -0.10 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 178.01 1fxo h LEU 288 N 0.00 0.00 0.00 1.67 3.38 -1.36 -3.31 115.31 115.68 1fxo h LEU 288 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fxo h LEU 288 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1fxo h LEU 288 CO 0.00 0.35 -1.02 0.35 0.09 0.00 0.00 178.44 178.21 1fxo n THR 289 N -3.67 0.00 -3.60 0.22 -2.24 -1.04 -5.02 114.28 98.93 1fxo n THR 289 Ca -0.01 -0.21 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 1fxo n THR 289 Cb 0.46 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.15 1fxo n THR 289 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1fxo s GLU 290 N -2.24 4.14 -0.08 -0.78 2.12 -1.03 -5.07 118.70 115.77 1fxo s GLU 290 Ca -0.01 0.05 -0.25 0.00 0.36 0.00 0.00 54.97 55.12 1fxo s GLU 290 Cb 0.05 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1fxo s GLU 290 CO 0.29 0.34 0.78 0.99 -0.54 0.00 0.00 175.26 177.11 1fxo s THR 291 N 0.17 4.98 -0.15 -1.70 2.01 -1.26 -4.83 115.64 114.86 1fxo s THR 291 Ca 0.16 1.59 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1fxo s THR 291 Cb -0.13 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.29 1fxo s THR 291 CO 0.04 0.19 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.28 1fxo s VAL 292 N 1.11 1.86 -2.51 3.82 1.01 -1.26 -5.21 120.40 119.22 1fxo s VAL 292 Ca 0.40 -0.83 0.28 0.00 0.00 0.00 0.00 61.98 61.83 1fxo s VAL 292 Cb -0.18 -1.68 0.55 0.00 0.00 0.00 0.00 36.38 35.06 1fxo s VAL 292 CO 0.19 0.51 1.74 -1.22 0.00 0.00 0.00 175.10 176.31