#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 0.07 -5.06 2.12 4.81 -1.26 -4.85 118.16 114.00 1fxo n LYS 2 Ca 0.00 0.02 -0.32 0.00 -0.87 0.00 0.00 58.31 57.14 1fxo n LYS 2 Cb 0.00 -1.21 -0.16 0.00 0.02 0.00 0.00 35.03 33.68 1fxo n LYS 2 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1fxo s ARG 3 N -0.67 3.15 0.03 1.64 3.52 -1.26 -2.80 118.95 122.57 1fxo s ARG 3 Ca 0.73 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1fxo s ARG 3 Cb -1.03 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1fxo s ARG 3 CO 0.56 0.21 0.15 0.15 -0.81 0.00 0.00 175.30 175.56 1fxo s LYS 4 N 0.31 3.25 0.19 5.12 1.02 -0.69 -4.67 119.74 124.27 1fxo s LYS 4 Ca -0.15 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 55.46 1fxo s LYS 4 Cb -0.17 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1fxo s LYS 4 CO 0.07 0.62 -0.08 0.20 -0.92 0.00 0.00 175.35 175.25 1fxo s GLY 5 N -2.20 1.73 -0.05 -3.33 0.00 -0.19 -1.04 107.32 102.23 1fxo s GLY 5 Ca 0.30 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1fxo s GLY 5 CO 0.22 -1.50 -0.04 -0.42 0.00 0.00 0.00 173.10 171.36 1fxo s ILE 6 N -1.76 0.52 -0.26 0.90 1.01 0.14 -0.28 121.20 121.47 1fxo s ILE 6 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 1fxo s ILE 6 Cb -0.09 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1fxo s ILE 6 CO 0.16 0.23 0.04 -0.63 0.00 0.00 0.00 174.94 174.74 1fxo s ILE 7 N 1.06 3.90 -0.48 2.92 1.01 -0.02 -1.07 121.20 128.53 1fxo s ILE 7 Ca -0.09 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 1fxo s ILE 7 Cb -0.14 -2.90 0.05 0.00 0.01 0.00 0.00 42.46 39.48 1fxo s ILE 7 CO -0.01 0.24 0.54 -0.22 0.00 0.00 0.00 174.94 175.50 1fxo s LEU 8 N 1.53 5.03 -0.31 2.97 2.96 -0.37 -0.78 118.68 129.70 1fxo s LEU 8 Ca 0.04 -0.90 0.12 0.00 -0.22 0.00 0.00 54.13 53.17 1fxo s LEU 8 Cb -0.16 -2.40 0.46 0.00 0.50 0.00 0.00 46.19 44.59 1fxo s LEU 8 CO 0.01 -0.77 1.13 0.00 -1.32 0.00 0.00 176.35 175.40 1fxo n ALA 9 N 5.87 4.27 -2.39 5.97 0.00 0.15 -0.61 120.51 133.77 1fxo n ALA 9 Ca -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1fxo n ALA 9 Cb 0.46 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.57 1.84 0.00 0.00 0.00 -1.24 -4.53 105.19 100.69 1fxo n GLY 10 Ca 0.30 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 2.88 0.24 -0.02 0.00 -1.26 -4.88 105.19 107.15 1fxo n GLY 11 Ca 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 1fxo n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fxo h SER 12 N 0.00 -0.55 0.00 1.61 4.64 -2.01 -3.47 113.55 113.77 1fxo h SER 12 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1fxo h SER 12 Cb 0.00 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1fxo h SER 12 CO 0.00 -0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.37 1fxo n GLY 13 N -1.42 2.25 0.37 -0.77 0.00 -1.26 -4.87 105.19 99.48 1fxo n GLY 13 Ca 0.07 -0.42 0.29 0.00 0.00 0.00 0.00 46.02 45.96 1fxo n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fxo h THR 14 N 0.00 0.19 -0.47 2.61 2.02 -1.98 -2.54 112.91 112.74 1fxo h THR 14 Ca 0.00 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1fxo h THR 14 Cb 0.00 -0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 66.31 1fxo h THR 14 CO 0.00 0.03 -0.11 -0.09 0.37 0.00 0.00 175.52 175.72 1fxo h ARG 15 N 0.18 0.00 -0.21 6.66 2.43 -1.99 -2.33 114.38 119.14 1fxo h ARG 15 Ca 0.78 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.95 1fxo h ARG 15 Cb 2.04 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1fxo h ARG 15 CO -0.59 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.15 1fxo n LEU 16 N -5.34 1.22 -4.79 3.80 4.77 -0.96 -4.87 117.00 110.82 1fxo n LEU 16 Ca 0.04 -0.59 -0.33 0.00 -0.03 0.00 0.00 56.01 55.10 1fxo n LEU 16 Cb 0.25 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1fxo n LEU 16 CO 0.12 0.29 0.73 -1.00 -1.33 0.00 0.00 177.39 176.20 1fxo s HIS 17 N -1.72 2.91 -2.01 -1.77 3.76 -0.88 -1.13 115.29 114.46 1fxo s HIS 17 Ca 0.19 1.53 0.31 0.00 -0.15 0.00 0.00 55.06 56.94 1fxo s HIS 17 Cb 0.10 -3.07 1.77 0.00 1.11 0.00 0.00 32.58 32.49 1fxo s HIS 17 CO 0.13 -1.19 2.15 -0.35 -0.85 0.00 0.00 174.74 174.64 1fxo n PRO 18 N -1.84 1.02 -0.33 8.40 -0.04 -1.26 -4.86 135.00 136.10 1fxo n PRO 18 Ca 0.09 -0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1fxo n PRO 18 Cb 0.52 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 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 3.99 1.52 -0.57 0.55 0.00 -1.53 -0.97 119.26 122.25 1fxo h ALA 19 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fxo h ALA 19 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1fxo h ALA 19 CO 0.00 -0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.40 1fxo n THR 20 N -4.84 2.22 -0.28 0.00 -2.24 -0.91 -4.57 114.28 103.66 1fxo n THR 20 Ca 0.21 -1.35 0.09 0.00 -2.27 0.00 0.00 64.05 60.73 1fxo n THR 20 Cb 0.54 -0.06 0.32 0.00 -2.10 0.00 0.00 70.33 69.04 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 3.72 0.75 0.00 3.22 3.38 -1.46 -2.52 115.31 122.40 1fxo h LEU 21 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fxo h LEU 21 Cb 1.63 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1fxo h LEU 21 CO 0.32 0.42 -1.35 0.00 0.09 0.00 0.00 178.44 177.92 1fxo n ALA 22 N -2.41 3.10 -3.50 1.53 0.00 -1.26 -4.94 120.51 113.02 1fxo n ALA 22 Ca 0.16 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1fxo n ALA 22 Cb 0.37 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 1fxo n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fxo s ILE 23 N -3.33 -0.03 0.41 0.00 1.01 -0.95 -5.13 121.20 113.18 1fxo s ILE 23 Ca -0.01 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 1fxo s ILE 23 Cb 0.13 -0.34 -0.09 0.00 0.01 0.00 0.00 42.46 42.18 1fxo s ILE 23 CO 0.84 0.04 1.33 -0.55 0.00 0.00 0.00 174.94 176.60 1fxo s SER 24 N 0.83 6.26 0.25 3.58 0.15 -1.26 -4.46 113.70 119.04 1fxo s SER 24 Ca -0.06 2.71 -0.05 0.00 0.70 0.00 0.00 55.95 59.25 1fxo s SER 24 Cb -0.07 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 62.08 1fxo s SER 24 CO -0.05 -0.89 1.66 0.50 1.20 0.00 0.00 173.24 175.66 1fxo h LYS 25 N 2.65 0.19 0.00 5.44 3.64 -1.94 -1.21 116.57 125.34 1fxo h LYS 25 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1fxo h LYS 25 Cb 1.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1fxo h LYS 25 CO 0.62 0.12 0.00 1.04 -2.27 0.00 0.00 179.45 178.97 1fxo n GLN 26 N -5.24 0.34 0.01 1.90 3.00 -1.26 -0.48 117.38 115.65 1fxo n GLN 26 Ca 0.15 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1fxo n GLN 26 Cb 0.49 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.28 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 -1.24 0.70 -4.77 1.08 4.77 -0.47 -1.40 117.00 115.68 1fxo n LEU 27 Ca 0.10 -0.19 -0.39 0.00 -0.03 0.00 0.00 56.01 55.51 1fxo n LEU 27 Cb 0.15 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1fxo n LEU 27 CO 0.15 0.15 0.91 -0.76 -1.33 0.00 0.00 177.39 176.50 1fxo s LEU 28 N -3.28 4.16 0.35 2.23 1.43 0.37 -4.47 118.68 119.48 1fxo s LEU 28 Ca 0.08 2.52 -0.26 0.00 -1.03 0.00 0.00 54.13 55.43 1fxo s LEU 28 Cb 0.16 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 1fxo s LEU 28 CO 0.79 -0.84 1.05 -2.16 0.23 0.00 0.00 176.35 175.42 1fxo s PRO 29 N -2.34 4.37 -0.46 1.29 0.05 -1.26 -0.60 135.00 136.04 1fxo s PRO 29 Ca 0.58 1.59 -0.08 0.00 0.05 0.00 0.00 61.00 63.14 1fxo s PRO 29 Cb -0.35 -2.79 0.12 0.00 0.05 0.00 0.00 34.50 31.53 1fxo s PRO 29 CO 0.44 0.02 0.33 0.08 0.05 0.00 0.00 177.00 177.92 1fxo s VAL 30 N -1.48 4.10 0.00 -0.36 1.01 -0.68 -4.83 120.40 118.16 1fxo s VAL 30 Ca 0.52 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1fxo s VAL 30 Cb -0.25 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1fxo s VAL 30 CO 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 175.10 174.65 1fxo n TYR 31 N 4.87 0.00 -0.48 5.22 9.36 -1.26 -3.57 117.16 131.30 1fxo n TYR 31 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 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 2.29 0.80 -3.45 2.98 5.75 -1.26 -5.09 116.55 118.57 1fxo n ASP 32 Ca 0.00 -1.28 -0.14 0.00 -0.01 0.00 0.00 54.79 53.36 1fxo n ASP 32 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.28 1.21 0.33 0.11 -2.85 -1.23 -5.08 119.74 111.95 1fxo s LYS 33 Ca 0.00 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 54.43 1fxo s LYS 33 Cb 0.00 0.56 -0.12 0.00 -2.06 0.00 0.00 37.83 36.21 1fxo s LYS 33 CO 0.00 -0.49 1.32 -2.30 0.10 0.00 0.00 175.35 173.98 1fxo n PRO 34 N 0.00 2.14 -0.23 1.78 -0.02 -1.26 -1.68 135.00 135.73 1fxo n PRO 34 Ca -0.18 0.75 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1fxo n PRO 34 Cb 0.63 -2.36 0.16 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.88 0.33 -0.17 -0.52 1.85 -0.90 -0.38 114.93 118.01 1fxo h MET 35 Ca -0.46 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 58.66 1fxo h MET 35 Cb 1.28 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 1fxo h MET 35 CO 0.65 0.22 0.20 0.97 -0.40 0.00 0.00 176.91 178.55 1fxo h ILE 36 N 0.34 0.43 -0.25 1.77 2.10 -1.41 -1.04 117.51 119.45 1fxo h ILE 36 Ca 0.38 0.00 0.07 0.00 1.08 0.00 0.00 64.86 66.39 1fxo h ILE 36 Cb 0.59 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 1fxo h ILE 36 CO -0.43 0.00 0.18 1.88 -1.08 0.00 0.00 178.15 178.70 1fxo h TYR 37 N 0.00 0.00 0.62 2.19 -1.99 -1.37 -1.94 116.97 114.49 1fxo h TYR 37 Ca 0.08 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 1fxo h TYR 37 Cb 0.49 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.23 1fxo h TYR 37 CO 0.00 0.00 -0.30 1.88 -0.00 0.00 0.00 178.16 179.74 1fxo h TYR 38 N 0.00 -0.78 -0.31 4.88 -1.99 -1.33 0.04 116.97 117.48 1fxo h TYR 38 Ca 0.12 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1fxo h TYR 38 Cb 0.47 0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.44 1fxo h TYR 38 CO 0.00 -0.48 0.04 -1.00 -0.00 0.00 0.00 178.16 176.72 1fxo h PRO 39 N -1.16 0.46 -0.24 4.88 0.13 -1.63 -1.40 132.00 133.05 1fxo h PRO 39 Ca -0.09 -0.08 0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1fxo h PRO 39 Cb 0.64 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 1fxo h PRO 39 CO 0.14 0.46 0.01 1.25 -0.23 0.00 0.00 178.00 179.63 1fxo h LEU 40 N 0.45 -0.06 -1.36 1.56 5.85 -1.33 -2.02 115.31 118.39 1fxo h LEU 40 Ca 0.10 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1fxo h LEU 40 Cb 0.23 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1fxo h LEU 40 CO 0.00 -0.00 0.47 0.77 -0.34 0.00 0.00 178.44 179.34 1fxo h SER 41 N 0.09 0.70 -0.26 1.25 4.64 -0.44 -1.21 113.55 118.32 1fxo h SER 41 Ca 0.11 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1fxo h SER 41 Cb 0.13 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1fxo h SER 41 CO -0.18 0.47 0.16 0.74 -0.87 0.00 0.00 176.83 177.15 1fxo h THR 42 N 0.80 1.08 -0.84 2.95 2.02 -0.72 0.19 112.91 118.39 1fxo h THR 42 Ca 0.30 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1fxo h THR 42 Cb 0.16 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1fxo h THR 42 CO -0.09 0.08 0.54 -0.07 0.37 0.00 0.00 175.52 176.34 1fxo h LEU 43 N 0.33 0.98 -0.60 2.58 3.38 -0.68 -2.21 115.31 119.10 1fxo h LEU 43 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1fxo h LEU 43 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1fxo h LEU 43 CO -0.02 0.73 0.33 0.24 0.09 0.00 0.00 178.44 179.82 1fxo h MET 44 N 1.15 0.83 0.00 1.13 2.86 -0.81 -1.69 114.93 118.39 1fxo h MET 44 Ca 0.31 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1fxo h MET 44 Cb -0.10 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.40 1fxo h MET 44 CO -0.06 0.63 -0.06 -0.07 1.06 0.00 0.00 176.91 178.40 1fxo h LEU 45 N 0.81 0.00 -0.29 1.22 3.38 -0.30 -0.18 115.31 119.95 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 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1fxo h LEU 45 CO -0.03 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1fxo n ALA 46 N -2.17 2.65 -0.67 1.53 0.00 -0.73 -4.86 120.51 116.27 1fxo n ALA 46 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1fxo n ALA 46 Cb 0.25 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.04 0.65 3.63 0.00 0.00 -0.08 -4.89 105.19 105.54 1fxo n GLY 47 Ca 0.22 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 5.23 -0.08 -0.61 1.01 -0.72 -4.95 121.20 119.09 1fxo s ILE 48 Ca 0.00 0.49 0.12 0.00 0.00 0.00 0.00 60.65 61.25 1fxo s ILE 48 Cb 0.00 -3.65 -0.17 0.00 0.01 0.00 0.00 42.46 38.65 1fxo s ILE 48 CO 0.00 0.22 0.14 0.54 0.00 0.00 0.00 174.94 175.84 1fxo n ARG 49 N 4.92 1.39 -3.55 2.79 1.74 -1.26 -3.81 116.66 118.88 1fxo n ARG 49 Ca -0.10 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.51 1fxo n ARG 49 Cb 0.51 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.53 2.81 -0.03 5.56 2.12 -1.26 -0.56 118.70 124.81 1fxo s GLU 50 Ca -0.05 -1.20 0.03 0.00 0.36 0.00 0.00 54.97 54.10 1fxo s GLU 50 Cb 0.05 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1fxo s GLU 50 CO 0.51 -0.81 -0.11 0.42 -0.54 0.00 0.00 175.26 174.72 1fxo s ILE 51 N 1.55 0.93 -0.23 -3.70 1.01 -0.75 -1.03 121.20 118.99 1fxo s ILE 51 Ca 0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1fxo s ILE 51 Cb -0.21 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1fxo s ILE 51 CO 0.06 0.28 0.09 -0.22 0.00 0.00 0.00 174.94 175.15 1fxo s LEU 52 N 0.13 3.66 -0.24 2.97 2.96 0.61 -1.39 118.68 127.38 1fxo s LEU 52 Ca -0.03 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 1fxo s LEU 52 Cb -0.09 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1fxo s LEU 52 CO 0.01 0.04 0.16 -0.63 -1.32 0.00 0.00 176.35 174.60 1fxo s ILE 53 N 1.19 5.27 -0.18 6.68 1.01 0.10 -0.84 121.20 134.43 1fxo s ILE 53 Ca 0.05 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1fxo s ILE 53 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1fxo s ILE 53 CO 0.04 0.33 -0.07 -0.63 0.00 0.00 0.00 174.94 174.61 1fxo s ILE 54 N 1.17 3.40 0.00 2.92 1.01 0.04 -1.50 121.20 128.24 1fxo s ILE 54 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1fxo s ILE 54 Cb -0.14 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1fxo s ILE 54 CO 0.05 0.47 0.00 -0.24 0.00 0.00 0.00 174.94 175.22 1fxo n SER 55 N 4.09 0.00 -4.82 3.58 2.88 -0.94 -0.68 113.62 117.74 1fxo n SER 55 Ca -0.18 -0.78 -0.29 0.00 -1.33 0.00 0.00 58.87 56.29 1fxo n SER 55 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.09 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 -2.16 2.35 0.24 2.46 -4.23 -1.26 -0.27 115.64 112.77 1fxo s THR 56 Ca 0.00 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1fxo s THR 56 Cb 0.00 -2.92 0.21 0.00 1.34 0.00 0.00 72.50 71.13 1fxo s THR 56 CO 0.00 -0.15 1.84 -0.65 -0.54 0.00 0.00 174.62 175.12 1fxo h PRO 57 N -1.27 0.89 -0.06 3.99 0.11 -1.89 0.13 132.00 133.90 1fxo h PRO 57 Ca -0.49 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.39 1fxo h PRO 57 Cb 1.31 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1fxo h PRO 57 CO 0.62 0.59 -0.73 0.37 -0.21 0.00 0.00 178.00 178.64 1fxo h GLN 58 N 0.92 0.34 0.00 1.05 4.15 -1.96 -3.36 115.11 116.25 1fxo h GLN 58 Ca 0.37 -0.28 -0.17 0.00 0.77 0.00 0.00 58.65 59.34 1fxo h GLN 58 Cb 0.20 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1fxo h GLN 58 CO -0.19 0.93 -1.63 -0.25 -1.93 0.00 0.00 178.83 175.76 1fxo n ASP 59 N -3.82 0.60 -0.09 -0.69 8.00 -0.85 -4.32 116.55 115.38 1fxo n ASP 59 Ca -0.04 0.26 -0.06 0.00 0.71 0.00 0.00 54.79 55.66 1fxo n ASP 59 Cb 0.70 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 1fxo n ASP 59 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1fxo h THR 60 N 0.00 0.77 -0.39 -3.53 2.02 -0.91 0.22 112.91 111.08 1fxo h THR 60 Ca -0.19 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.07 1fxo h THR 60 Cb 1.58 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1fxo h THR 60 CO 0.03 0.02 0.28 -0.65 0.37 0.00 0.00 175.52 175.57 1fxo h PRO 61 N 0.09 0.01 -0.03 6.66 0.11 -1.76 -2.02 132.00 135.06 1fxo h PRO 61 Ca 0.15 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.05 1fxo h PRO 61 Cb 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1fxo h PRO 61 CO -0.25 0.01 -0.87 0.00 -0.21 0.00 0.00 178.00 176.67 1fxo h ARG 62 N 0.01 0.43 -0.55 1.05 3.08 -0.82 -1.61 114.38 115.97 1fxo h ARG 62 Ca 0.19 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1fxo h ARG 62 Cb 0.74 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1fxo h ARG 62 CO -0.00 1.08 -0.06 0.74 -1.07 0.00 0.00 179.97 180.65 1fxo h PHE 63 N 0.26 1.09 -0.78 3.04 -1.00 -0.74 -2.20 116.94 116.60 1fxo h PHE 63 Ca -0.06 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 1fxo h PHE 63 Cb 1.49 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.73 1fxo h PHE 63 CO 0.06 1.00 0.44 0.37 -1.61 0.00 0.00 178.31 178.56 1fxo h GLN 64 N 0.89 1.08 0.09 1.51 4.15 -1.27 0.57 115.11 122.13 1fxo h GLN 64 Ca 0.15 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1fxo h GLN 64 Cb 0.61 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1fxo h GLN 64 CO 0.04 0.79 -0.04 1.96 -1.93 0.00 0.00 178.83 179.64 1fxo h GLN 65 N 1.09 -0.11 -0.38 1.69 4.20 -1.24 0.52 115.11 120.87 1fxo h GLN 65 Ca 0.28 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 1fxo h GLN 65 Cb 0.01 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1fxo h GLN 65 CO -0.05 0.06 -0.13 1.25 -0.67 0.00 0.00 178.83 179.30 1fxo h LEU 66 N -0.27 0.67 0.00 1.46 5.85 -0.76 -3.34 115.31 118.91 1fxo h LEU 66 Ca -0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1fxo h LEU 66 Cb 0.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1fxo h LEU 66 CO 0.02 0.82 -1.35 0.18 -0.34 0.00 0.00 178.44 177.78 1fxo n LEU 67 N -4.17 0.02 0.00 2.25 4.77 0.13 -5.10 117.00 114.91 1fxo n LEU 67 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1fxo n LEU 67 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1fxo n LEU 67 CO 0.42 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1fxo n GLY 68 N 1.96 0.96 0.09 -0.72 0.00 0.17 -3.28 105.19 104.37 1fxo n GLY 68 Ca -0.01 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.11 0.31 0.00 1.61 5.68 -1.26 -4.68 116.55 115.10 1fxo n ASP 69 Ca 0.00 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1fxo n ASP 69 Cb 0.00 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 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 1.17 1.85 0.37 6.12 0.00 -1.20 -0.70 105.19 112.79 1fxo n GLY 70 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.81 -0.06 1.61 4.64 -1.83 0.20 113.55 118.93 1fxo h SER 71 Ca 0.00 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1fxo h SER 71 Cb 0.00 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1fxo h SER 71 CO 0.00 0.42 0.10 0.78 -0.87 0.00 0.00 176.83 177.27 1fxo h ASN 72 N 0.86 0.00 -0.22 4.97 2.35 -1.90 -2.44 115.58 119.20 1fxo h ASN 72 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1fxo h ASN 72 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1fxo h ASN 72 CO -0.24 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.33 1fxo n TRP 73 N -3.48 0.57 -1.19 1.19 8.01 0.56 -4.95 117.44 118.15 1fxo n TRP 73 Ca -0.01 -0.75 -0.07 0.00 -1.31 0.00 0.00 57.50 55.36 1fxo n TRP 73 Cb 0.19 -0.18 -0.03 0.00 -2.01 0.00 0.00 31.31 29.28 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 -0.34 0.87 3.85 6.99 0.00 -0.92 -4.74 105.19 110.90 1fxo n GLY 74 Ca 0.16 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.51 3.43 -0.38 0.99 1.43 -0.30 -4.96 118.68 117.39 1fxo s LEU 75 Ca 0.00 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1fxo s LEU 75 Cb 0.00 -2.04 0.11 0.00 0.03 0.00 0.00 46.19 44.29 1fxo s LEU 75 CO 0.00 -0.51 0.15 -0.62 0.23 0.00 0.00 176.35 175.59 1fxo s ASP 76 N -4.04 4.14 -0.10 2.29 2.15 0.27 -2.67 116.67 118.71 1fxo s ASP 76 Ca 0.44 -2.23 -0.11 0.00 0.43 0.00 0.00 52.55 51.09 1fxo s ASP 76 Cb -0.04 -1.20 -0.05 0.00 -0.30 0.00 0.00 42.92 41.34 1fxo s ASP 76 CO 0.27 -0.34 0.25 -0.76 -0.17 0.00 0.00 175.17 174.41 1fxo s LEU 77 N 0.84 4.37 0.17 -1.34 1.43 0.12 -1.81 118.68 122.46 1fxo s LEU 77 Ca 0.13 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 1fxo s LEU 77 Cb -0.21 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1fxo s LEU 77 CO -0.10 0.30 -0.09 -1.10 0.23 0.00 0.00 176.35 175.59 1fxo s GLN 78 N -0.63 1.15 0.00 1.70 -0.21 -0.48 -4.65 119.66 116.54 1fxo s GLN 78 Ca 0.17 -1.52 0.03 0.00 0.02 0.00 0.00 55.36 54.07 1fxo s GLN 78 Cb -0.13 -0.69 -0.01 0.00 1.00 0.00 0.00 33.01 33.17 1fxo s GLN 78 CO 0.06 0.06 -0.10 0.71 -2.12 0.00 0.00 175.29 173.90 1fxo s TYR 79 N -3.29 0.91 0.03 0.91 1.51 -1.26 -0.72 117.35 115.44 1fxo s TYR 79 Ca 0.20 -0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 55.96 1fxo s TYR 79 Cb 0.03 -0.57 -0.00 0.00 -0.11 0.00 0.00 41.96 41.30 1fxo s TYR 79 CO 0.03 -0.01 0.16 0.00 -1.11 0.00 0.00 175.55 174.62 1fxo s ALA 80 N -0.39 -0.29 -0.02 3.71 0.00 -0.56 -4.94 121.76 119.27 1fxo s ALA 80 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1fxo s ALA 80 Cb -0.05 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1fxo s ALA 80 CO -0.00 -0.33 0.23 0.08 0.00 0.00 0.00 175.76 175.74 1fxo s VAL 81 N -2.40 5.36 -0.39 0.00 1.01 -1.26 -2.22 120.40 120.49 1fxo s VAL 81 Ca -0.06 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1fxo s VAL 81 Cb -0.02 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.92 1fxo s VAL 81 CO -0.03 0.40 0.18 -1.58 0.00 0.00 0.00 175.10 174.08 1fxo s GLN 82 N -1.66 2.21 0.51 2.72 0.74 0.63 -4.89 119.66 119.92 1fxo s GLN 82 Ca 0.25 -1.65 0.18 0.00 0.05 0.00 0.00 55.36 54.19 1fxo s GLN 82 Cb -0.13 -3.56 1.28 0.00 1.10 0.00 0.00 33.01 31.70 1fxo s GLN 82 CO 0.15 -0.97 2.12 -1.35 -0.55 0.00 0.00 175.29 174.69 1fxo h PRO 83 N 8.13 0.00 -3.10 1.67 0.11 -1.96 -3.38 132.00 133.47 1fxo h PRO 83 Ca -0.17 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.78 1fxo h PRO 83 Cb 1.06 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.91 1fxo h PRO 83 CO 0.69 0.05 -0.41 0.45 -0.21 0.00 0.00 178.00 178.57 1fxo s SER 84 N -6.90 -0.27 -1.26 -2.05 0.15 -1.26 -4.84 113.70 97.26 1fxo s SER 84 Ca -0.05 0.51 -0.17 0.00 0.70 0.00 0.00 55.95 56.94 1fxo s SER 84 Cb 0.16 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1fxo s SER 84 CO 0.66 -0.10 2.03 -0.81 1.20 0.00 0.00 173.24 176.22 1fxo n PRO 85 N 2.89 2.55 -0.23 5.44 -0.04 -1.26 -4.66 135.00 139.69 1fxo n PRO 85 Ca -0.13 -2.60 0.08 0.00 -0.04 0.00 0.00 63.50 60.81 1fxo n PRO 85 Cb 0.58 -3.30 0.22 0.00 -0.04 0.00 0.00 33.50 30.95 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 7.62 2.50 0.00 3.54 8.00 -1.26 -4.96 116.55 132.00 1fxo n ASP 86 Ca 0.50 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 54.02 1fxo n ASP 86 Cb 0.42 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.25 4.43 0.28 0.44 0.00 -1.26 -0.37 105.19 109.97 1fxo n GLY 87 Ca 0.16 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 0.59 -1.08 0.99 3.38 -1.86 -1.53 115.31 115.79 1fxo h LEU 88 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1fxo h LEU 88 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1fxo h LEU 88 CO 0.00 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1fxo h ALA 89 N 1.45 1.00 -0.03 1.53 0.00 -1.50 -2.17 119.26 119.55 1fxo h ALA 89 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1fxo h ALA 89 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fxo h ALA 89 CO 0.01 0.00 0.08 1.96 0.00 0.00 0.00 179.25 181.29 1fxo h GLN 90 N 0.00 0.00 -0.62 0.00 4.20 -1.44 -2.21 115.11 115.05 1fxo h GLN 90 Ca 0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1fxo h GLN 90 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1fxo h GLN 90 CO 0.00 0.00 0.42 0.00 -0.67 0.00 0.00 178.83 178.58 1fxo h ALA 91 N 1.87 2.14 0.00 3.87 0.00 -1.57 0.86 119.26 126.44 1fxo h ALA 91 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1fxo h ALA 91 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fxo h ALA 91 CO -0.00 -0.30 -0.45 0.74 0.00 0.00 0.00 179.25 179.24 1fxo h PHE 92 N 0.32 0.00 0.11 0.00 -1.00 -1.63 0.21 116.94 114.95 1fxo h PHE 92 Ca 0.29 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 1fxo h PHE 92 Cb 0.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.28 1fxo h PHE 92 CO -0.00 0.45 -0.05 -0.07 -1.61 0.00 0.00 178.31 177.02 1fxo h LEU 93 N 0.00 -0.13 -0.86 1.54 3.38 -1.17 -2.22 115.31 115.86 1fxo h LEU 93 Ca -0.00 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1fxo h LEU 93 Cb 1.22 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1fxo h LEU 93 CO 0.06 0.48 0.52 0.40 0.09 0.00 0.00 178.44 180.00 1fxo h ILE 94 N -0.85 1.00 -0.36 1.22 2.04 -0.92 -2.76 117.51 116.89 1fxo h ILE 94 Ca -0.02 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1fxo h ILE 94 Cb 0.56 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1fxo h ILE 94 CO 0.02 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1fxo n GLY 95 N -1.33 0.85 0.19 5.37 0.00 0.74 -4.57 105.19 106.45 1fxo n GLY 95 Ca 0.13 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 2.13 -0.20 -0.52 1.61 4.81 -1.09 0.23 114.58 121.55 1fxo h GLU 96 Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1fxo h GLU 96 Cb 0.56 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1fxo h GLU 96 CO 0.02 -0.13 -0.03 0.66 -0.73 0.00 0.00 179.01 178.80 1fxo h SER 97 N -0.21 0.93 -0.32 1.04 4.64 -1.84 -1.46 113.55 116.34 1fxo h SER 97 Ca 0.08 -0.32 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1fxo h SER 97 Cb 0.32 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 1fxo h SER 97 CO -0.21 1.02 0.01 0.15 -0.87 0.00 0.00 176.83 176.94 1fxo h PHE 98 N 0.81 0.01 -0.52 4.77 3.57 -1.67 -3.11 116.94 120.79 1fxo h PHE 98 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1fxo h PHE 98 Cb 0.57 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1fxo h PHE 98 CO 0.04 -0.04 0.09 0.82 -2.23 0.00 0.00 178.31 177.00 1fxo h ILE 99 N 0.11 1.25 0.00 1.41 2.04 -0.31 -3.48 117.51 118.53 1fxo h ILE 99 Ca 0.15 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1fxo h ILE 99 Cb 0.20 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1fxo h ILE 99 CO -0.24 0.33 0.00 0.61 0.00 0.00 0.00 178.15 178.85 1fxo n GLY 100 N -0.55 2.60 1.45 5.37 0.00 -0.57 -1.65 105.19 111.84 1fxo n GLY 100 Ca 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 3.90 3.62 -5.00 1.61 3.02 -1.26 -4.99 115.26 116.16 1fxo n ASN 101 Ca 0.00 -3.42 -0.18 0.00 -0.03 0.00 0.00 54.58 50.95 1fxo n ASN 101 Cb 0.00 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 38.51 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 -1.83 5.68 0.84 6.41 1.01 -0.66 -4.92 116.67 123.21 1fxo s ASP 102 Ca 0.48 -0.28 -0.12 0.00 0.71 0.00 0.00 52.55 53.35 1fxo s ASP 102 Cb 0.41 -0.86 0.10 0.00 1.01 0.00 0.00 42.92 43.58 1fxo s ASP 102 CO 0.07 -0.74 1.10 -0.76 0.21 0.00 0.00 175.17 175.05 1fxo s LEU 103 N -4.38 2.43 0.26 1.23 1.43 -1.12 -4.41 118.68 114.12 1fxo s LEU 103 Ca 0.53 1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 54.89 1fxo s LEU 103 Cb -0.10 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1fxo s LEU 103 CO 0.34 -2.26 0.42 -0.94 0.23 0.00 0.00 176.35 174.13 1fxo s SER 104 N -3.73 0.19 -0.05 2.29 1.04 -0.17 -1.70 113.70 111.56 1fxo s SER 104 Ca 0.62 -1.15 -0.09 0.00 0.48 0.00 0.00 55.95 55.81 1fxo s SER 104 Cb -0.16 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1fxo s SER 104 CO 0.55 -1.13 0.22 0.00 0.98 0.00 0.00 173.24 173.86 1fxo s ALA 105 N -3.80 -0.55 -0.06 5.32 0.00 -0.21 -0.46 121.76 122.01 1fxo s ALA 105 Ca 0.27 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.66 1fxo s ALA 105 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1fxo s ALA 105 CO 0.12 -0.16 -0.17 -1.17 0.00 0.00 0.00 175.76 174.38 1fxo s LEU 106 N -0.52 1.86 0.05 0.00 2.96 0.40 -0.68 118.68 122.74 1fxo s LEU 106 Ca -0.06 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1fxo s LEU 106 Cb -0.04 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 1fxo s LEU 106 CO 0.01 0.12 -0.13 0.54 -1.32 0.00 0.00 176.35 175.57 1fxo s VAL 107 N 0.27 1.00 0.22 1.68 0.11 -0.23 -0.39 120.40 123.06 1fxo s VAL 107 Ca -0.09 -1.09 -0.23 0.00 -2.93 0.00 0.00 61.98 57.63 1fxo s VAL 107 Cb -0.14 -0.95 -0.08 0.00 -1.53 0.00 0.00 36.38 33.68 1fxo s VAL 107 CO 0.04 -0.13 0.79 -0.76 -3.33 0.00 0.00 175.10 171.70 1fxo s LEU 108 N -1.39 4.44 0.36 2.54 1.43 -0.67 -1.24 118.68 124.16 1fxo s LEU 108 Ca -0.01 1.59 0.27 0.00 -1.03 0.00 0.00 54.13 54.94 1fxo s LEU 108 Cb -0.09 -3.55 1.23 0.00 0.03 0.00 0.00 46.19 43.81 1fxo s LEU 108 CO 0.01 0.08 1.80 1.23 0.23 0.00 0.00 176.35 179.71 1fxo h GLY 109 N 3.73 0.00 -1.58 -3.19 0.00 -1.20 -2.67 103.07 98.16 1fxo h GLY 109 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1fxo h GLY 109 CO 0.65 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.28 1fxo n ASP 110 N -2.46 3.77 -4.65 0.19 5.68 -1.26 -4.24 116.55 113.58 1fxo n ASP 110 Ca 0.00 -2.88 -0.36 0.00 -0.50 0.00 0.00 54.79 51.05 1fxo n ASP 110 Cb 0.18 -0.50 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 1fxo n ASP 110 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1fxo s ASN 111 N -1.79 6.04 -0.25 -1.12 0.02 -1.01 -1.92 114.94 114.91 1fxo s ASN 111 Ca 0.40 0.09 0.00 0.00 -1.02 0.00 0.00 52.86 52.33 1fxo s ASN 111 Cb 0.31 -2.09 0.04 0.00 0.02 0.00 0.00 41.25 39.53 1fxo s ASN 111 CO 0.10 0.07 -0.09 -0.22 0.02 0.00 0.00 177.10 176.98 1fxo s LEU 112 N 1.04 3.25 0.02 0.60 0.20 -0.49 -3.72 118.68 119.59 1fxo s LEU 112 Ca 0.07 -1.09 0.03 0.00 0.69 0.00 0.00 54.13 53.83 1fxo s LEU 112 Cb -0.14 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1fxo s LEU 112 CO 0.04 -0.15 -0.03 -0.31 -0.29 0.00 0.00 176.35 175.61 1fxo s TYR 113 N 1.23 2.98 -0.27 5.38 1.51 -1.26 -0.39 117.35 126.53 1fxo s TYR 113 Ca -0.03 0.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.85 1fxo s TYR 113 Cb -0.18 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.13 1fxo s TYR 113 CO -0.05 0.43 0.67 -0.47 -1.11 0.00 0.00 175.55 175.02 1fxo s TYR 114 N -1.10 -0.93 0.00 2.71 5.04 -0.08 -5.00 117.35 117.99 1fxo s TYR 114 Ca 0.20 1.98 0.00 0.00 -2.44 0.00 0.00 57.07 56.81 1fxo s TYR 114 Cb -0.11 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.68 1fxo s TYR 114 CO 0.11 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.27 1fxo n GLY 115 N 3.75 1.62 3.75 8.97 0.00 -1.26 -0.58 105.19 121.44 1fxo n GLY 115 Ca -0.18 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 2.91 -1.25 1.61 2.46 -1.26 -2.77 115.29 114.99 1fxo s HIS 116 Ca 0.00 1.02 0.00 0.00 0.47 0.00 0.00 55.06 56.55 1fxo s HIS 116 Cb 0.00 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 1fxo s HIS 116 CO 0.00 -2.85 0.00 -0.25 -2.47 0.00 0.00 174.74 169.17 1fxo n ASP 117 N 1.93 -4.34 0.03 9.88 8.00 -1.26 -4.90 116.55 125.89 1fxo n ASP 117 Ca 0.06 0.21 0.03 0.00 0.71 0.00 0.00 54.79 55.80 1fxo n ASP 117 Cb 0.40 -3.12 0.39 0.00 -0.02 0.00 0.00 41.12 38.77 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 0.46 -0.17 1.24 3.57 -1.94 -1.89 116.94 118.21 1fxo h PHE 118 Ca -0.27 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.17 1fxo h PHE 118 Cb 0.93 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1fxo h PHE 118 CO 0.35 0.38 -0.09 1.12 -2.23 0.00 0.00 178.31 177.83 1fxo h HIS 119 N 0.47 0.28 -0.40 0.41 2.07 -1.89 -0.88 115.15 115.20 1fxo h HIS 119 Ca 0.12 -0.03 -0.15 0.00 -2.85 0.00 0.00 60.37 57.46 1fxo h HIS 119 Cb 0.12 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1fxo h HIS 119 CO 0.00 0.36 -0.35 0.93 -3.07 0.00 0.00 177.93 175.80 1fxo h GLU 120 N 0.26 0.93 -0.25 5.12 5.08 -1.74 0.94 114.58 124.91 1fxo h GLU 120 Ca 0.05 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1fxo h GLU 120 Cb 0.33 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1fxo h GLU 120 CO 0.02 1.12 0.16 1.25 -1.00 0.00 0.00 179.01 180.56 1fxo h LEU 121 N 0.77 0.29 -0.05 1.33 5.85 -1.24 -1.04 115.31 121.23 1fxo h LEU 121 Ca 0.07 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1fxo h LEU 121 Cb 0.94 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1fxo h LEU 121 CO 0.09 0.24 0.02 -0.07 -0.34 0.00 0.00 178.44 178.38 1fxo h LEU 122 N 0.32 0.06 -0.93 2.25 3.38 -1.13 -3.10 115.31 116.17 1fxo h LEU 122 Ca 0.09 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.00 1fxo h LEU 122 Cb -0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1fxo h LEU 122 CO -0.02 0.22 0.56 1.23 0.09 0.00 0.00 178.44 180.52 1fxo h GLY 123 N -0.09 1.49 1.26 0.83 0.00 -0.67 0.13 103.07 106.03 1fxo h GLY 123 Ca 0.02 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1fxo h GLY 123 CO -0.00 0.13 -0.04 1.48 0.00 0.00 0.00 176.54 178.11 1fxo h SER 124 N 0.89 0.86 -0.32 0.19 4.64 -1.14 -1.22 113.55 117.45 1fxo h SER 124 Ca 0.46 -0.24 -0.17 0.00 -0.47 0.00 0.00 61.79 61.37 1fxo h SER 124 Cb 0.46 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1fxo h SER 124 CO -0.27 0.95 -0.46 0.00 -0.87 0.00 0.00 176.83 176.18 1fxo h ALA 125 N 1.14 0.49 -0.38 5.18 0.00 -1.33 -3.20 119.26 121.16 1fxo h ALA 125 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1fxo h ALA 125 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1fxo h ALA 125 CO 0.03 0.65 0.23 1.03 0.00 0.00 0.00 179.25 181.19 1fxo h SER 126 N 0.67 0.45 1.57 0.00 0.87 -0.45 -2.80 113.55 113.87 1fxo h SER 126 Ca 0.03 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1fxo h SER 126 Cb 1.06 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1fxo h SER 126 CO 0.11 0.35 0.00 1.56 -0.53 0.00 0.00 176.83 178.31 1fxo h GLN 127 N 0.52 0.00 -6.31 2.24 4.20 -1.22 -3.43 115.11 111.11 1fxo h GLN 127 Ca 0.14 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.28 1fxo h GLN 127 Cb -0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1fxo h GLN 127 CO -0.03 0.00 1.24 1.03 -0.67 0.00 0.00 178.83 180.40 1fxo s ARG 128 N -3.23 3.36 0.15 1.46 0.52 -1.06 -4.85 118.95 115.31 1fxo s ARG 128 Ca 0.08 1.31 0.26 0.00 -0.52 0.00 0.00 55.73 56.85 1fxo s ARG 128 Cb 0.09 -4.17 0.65 0.00 0.52 0.00 0.00 34.95 32.04 1fxo s ARG 128 CO 0.60 -1.83 1.60 1.04 0.02 0.00 0.00 175.30 176.73 1fxo n GLN 129 N 8.38 0.24 -4.86 3.54 1.13 -1.26 -4.84 117.38 119.71 1fxo n GLN 129 Ca 0.22 0.14 -0.30 0.00 -1.94 0.00 0.00 57.00 55.11 1fxo n GLN 129 Cb 0.47 -1.72 -0.15 0.00 0.11 0.00 0.00 30.24 28.95 1fxo n GLN 129 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1fxo s THR 130 N -3.11 2.15 0.00 5.09 2.01 -1.26 -4.77 115.64 115.75 1fxo s THR 130 Ca 0.09 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.67 1fxo s THR 130 Cb 0.13 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.80 1fxo s THR 130 CO 0.64 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.52 1fxo n GLY 131 N 1.69 -0.50 3.24 4.40 0.00 -1.26 -4.89 105.19 107.88 1fxo n GLY 131 Ca -0.17 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.29 1.48 -0.03 4.61 0.00 -0.47 -1.60 121.76 124.47 1fxo s ALA 132 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1fxo s ALA 132 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1fxo s ALA 132 CO 0.00 0.04 -0.10 -1.12 0.00 0.00 0.00 175.76 174.58 1fxo s SER 133 N -2.67 1.35 0.32 0.00 0.01 -0.22 -0.22 113.70 112.27 1fxo s SER 133 Ca 0.11 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1fxo s SER 133 Cb -0.03 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1fxo s SER 133 CO 0.02 0.08 0.12 0.68 0.41 0.00 0.00 173.24 174.56 1fxo s VAL 134 N 0.13 0.60 0.01 3.43 -7.23 -0.21 -1.17 120.40 115.96 1fxo s VAL 134 Ca -0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1fxo s VAL 134 Cb -0.08 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1fxo s VAL 134 CO 0.01 0.00 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.23 1fxo s PHE 135 N -3.50 1.79 -0.13 2.82 0.40 -1.26 -1.38 117.98 116.72 1fxo s PHE 135 Ca 0.34 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1fxo s PHE 135 Cb 0.06 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 1fxo s PHE 135 CO 0.16 0.02 -0.09 0.00 0.70 0.00 0.00 175.22 176.00 1fxo s ALA 136 N -0.60 2.79 -0.04 5.36 0.00 -0.09 -1.21 121.76 127.97 1fxo s ALA 136 Ca 0.08 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1fxo s ALA 136 Cb -0.08 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1fxo s ALA 136 CO 0.00 0.30 -0.03 -0.47 0.00 0.00 0.00 175.76 175.56 1fxo s TYR 137 N 0.14 0.59 0.06 0.00 5.04 -0.35 0.26 117.35 123.09 1fxo s TYR 137 Ca -0.05 -0.13 -0.31 0.00 -2.44 0.00 0.00 57.07 54.15 1fxo s TYR 137 Cb -0.14 -0.58 -0.07 0.00 0.35 0.00 0.00 41.96 41.52 1fxo s TYR 137 CO 0.04 -0.17 1.42 -1.58 -1.34 0.00 0.00 175.55 173.92 1fxo s HIS 138 N 0.99 2.98 0.16 4.97 5.65 -1.26 -1.30 115.29 127.48 1fxo s HIS 138 Ca -0.10 0.82 0.04 0.00 0.25 0.00 0.00 55.06 56.07 1fxo s HIS 138 Cb -0.14 -3.70 -0.05 0.00 -1.18 0.00 0.00 32.58 27.51 1fxo s HIS 138 CO -0.01 -2.57 -0.08 0.14 -0.65 0.00 0.00 174.74 171.58 1fxo s VAL 139 N 1.85 1.09 0.15 0.89 -7.23 0.38 -4.95 120.40 112.58 1fxo s VAL 139 Ca 0.65 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 1fxo s VAL 139 Cb -0.35 -1.95 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 1fxo s VAL 139 CO 0.29 -0.66 1.40 0.25 -0.31 0.00 0.00 175.10 176.07 1fxo h LEU 140 N 2.73 0.68 -6.15 1.32 5.85 -1.95 -3.39 115.31 114.40 1fxo h LEU 140 Ca -0.37 -0.43 -0.59 0.00 0.84 0.00 0.00 57.88 57.33 1fxo h LEU 140 Cb 1.20 -0.20 -0.41 0.00 0.37 0.00 0.00 40.66 41.61 1fxo h LEU 140 CO 0.64 1.19 -0.68 -0.90 -0.34 0.00 0.00 178.44 178.35 1fxo n ASP 141 N -3.90 3.16 0.28 1.25 5.75 -1.26 -4.92 116.55 116.91 1fxo n ASP 141 Ca -0.05 -3.32 0.13 0.00 -0.01 0.00 0.00 54.79 51.54 1fxo n ASP 141 Cb 0.70 -0.66 0.82 0.00 -1.03 0.00 0.00 41.12 40.95 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 4.13 0.00 0.00 0.11 0.13 -1.86 -1.89 132.00 132.62 1fxo h PRO 142 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1fxo h PRO 142 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1fxo h PRO 142 CO 0.77 0.03 0.17 1.05 -0.23 0.00 0.00 178.00 179.79 1fxo h GLU 143 N 0.00 0.00 -0.00 0.86 9.09 -1.92 -0.05 114.58 122.57 1fxo h GLU 143 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1fxo h GLU 143 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1fxo h GLU 143 CO 0.00 0.00 -0.03 0.54 0.05 0.00 0.00 179.01 179.57 1fxo n ARG 144 N -2.51 0.60 -4.40 1.06 1.74 -0.71 -4.21 116.66 108.24 1fxo n ARG 144 Ca -0.02 -0.08 -0.22 0.00 -0.77 0.00 0.00 57.85 56.77 1fxo n ARG 144 Cb 0.21 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 1fxo n ARG 144 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fxo s TYR 145 N -2.45 1.74 0.21 -1.55 1.51 -0.03 -4.84 117.35 111.94 1fxo s TYR 145 Ca 0.32 -1.46 -0.30 0.00 -1.01 0.00 0.00 57.07 54.62 1fxo s TYR 145 Cb 0.20 -0.93 -0.09 0.00 -0.11 0.00 0.00 41.96 41.03 1fxo s TYR 145 CO 0.45 -0.57 1.34 0.20 -1.11 0.00 0.00 175.55 175.86 1fxo s GLY 146 N -3.48 2.41 -0.06 0.71 0.00 -1.26 -0.45 107.32 105.18 1fxo s GLY 146 Ca 0.32 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.25 1fxo s GLY 146 CO 0.20 2.13 -0.24 0.14 0.00 0.00 0.00 173.10 175.33 1fxo s VAL 147 N 0.12 1.99 -0.14 1.40 1.01 0.19 -0.44 120.40 124.53 1fxo s VAL 147 Ca 0.58 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1fxo s VAL 147 Cb -0.38 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1fxo s VAL 147 CO 0.39 0.55 -0.10 0.54 0.00 0.00 0.00 175.10 176.48 1fxo s VAL 148 N -0.07 3.29 -0.14 2.92 0.11 -0.33 -1.46 120.40 124.73 1fxo s VAL 148 Ca -0.06 -0.57 -0.09 0.00 -2.93 0.00 0.00 61.98 58.33 1fxo s VAL 148 Cb -0.14 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 1fxo s VAL 148 CO 0.04 0.51 0.16 -0.70 -3.33 0.00 0.00 175.10 171.79 1fxo s GLU 149 N 0.40 3.71 0.14 1.54 2.12 -0.21 -4.42 118.70 121.98 1fxo s GLU 149 Ca -0.08 -0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.21 1fxo s GLU 149 Cb -0.15 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1fxo s GLU 149 CO 0.05 0.62 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.25 1fxo s PHE 150 N -0.58 2.74 0.73 5.30 0.40 -1.26 -0.84 117.98 124.47 1fxo s PHE 150 Ca 0.14 -0.16 -0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1fxo s PHE 150 Cb -0.12 -1.38 0.16 0.00 0.51 0.00 0.00 43.02 42.19 1fxo s PHE 150 CO 0.03 0.47 0.99 -0.40 0.70 0.00 0.00 175.22 177.01 1fxo n ASP 151 N 0.32 0.43 0.28 1.36 5.68 0.03 -4.88 116.55 119.77 1fxo n ASP 151 Ca -0.12 -1.57 0.16 0.00 -0.50 0.00 0.00 54.79 52.76 1fxo n ASP 151 Cb 0.54 -0.73 0.84 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.02 0.11 4.20 -2.01 -1.73 115.11 115.66 1fxo h GLN 152 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1fxo h GLN 152 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1fxo h GLN 152 CO 0.26 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 178.90 1fxo n GLY 153 N -0.74 -0.39 1.22 3.46 0.00 -1.26 -4.92 105.19 102.56 1fxo n GLY 153 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.09 0.73 3.78 -0.02 0.00 -0.65 -5.05 105.19 105.07 1fxo n GLY 154 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.44 4.11 0.23 1.61 2.20 -1.26 -4.78 119.74 121.40 1fxo s LYS 155 Ca 0.00 0.32 -0.31 0.00 -0.36 0.00 0.00 55.97 55.62 1fxo s LYS 155 Cb 0.00 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1fxo s LYS 155 CO 0.00 0.43 1.60 0.00 -0.36 0.00 0.00 175.35 177.02 1fxo s ALA 156 N -0.20 3.80 0.00 3.13 0.00 -1.26 -0.79 121.76 126.44 1fxo s ALA 156 Ca 0.22 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1fxo s ALA 156 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1fxo s ALA 156 CO 0.10 -0.87 0.00 0.44 0.00 0.00 0.00 175.76 175.42 1fxo n ILE 157 N 3.23 0.00 -3.46 0.00 -5.35 -0.02 -4.90 119.36 108.86 1fxo n ILE 157 Ca 0.12 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 1fxo n ILE 157 Cb 0.37 0.64 -0.03 0.00 -1.74 0.00 0.00 39.64 38.89 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 -0.91 -0.56 -0.02 7.28 1.04 -1.20 -4.99 113.70 114.34 1fxo s SER 158 Ca 0.00 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.63 1fxo s SER 158 Cb 0.00 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1fxo s SER 158 CO 0.00 -0.87 -0.14 -0.76 0.98 0.00 0.00 173.24 172.46 1fxo s LEU 159 N -2.35 1.94 -0.02 2.42 1.43 -1.26 -1.05 118.68 119.80 1fxo s LEU 159 Ca -0.02 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1fxo s LEU 159 Cb -0.01 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1fxo s LEU 159 CO -0.07 0.14 0.02 -1.61 0.23 0.00 0.00 176.35 175.06 1fxo s GLU 160 N -0.11 0.01 -0.26 1.70 0.41 -0.54 -4.97 118.70 114.95 1fxo s GLU 160 Ca 0.01 0.12 -0.26 0.00 -0.41 0.00 0.00 54.97 54.44 1fxo s GLU 160 Cb -0.08 -0.21 0.00 0.00 -1.78 0.00 0.00 34.13 32.06 1fxo s GLU 160 CO 0.00 -0.12 0.89 -2.00 -0.49 0.00 0.00 175.26 173.54 1fxo s GLU 161 N 0.78 4.16 -1.18 1.61 2.56 -1.26 -0.64 118.70 124.73 1fxo s GLU 161 Ca -0.07 0.99 -0.30 0.00 0.00 0.00 0.00 54.97 55.59 1fxo s GLU 161 Cb -0.10 -3.66 0.03 0.00 2.00 0.00 0.00 34.13 32.40 1fxo s GLU 161 CO -0.02 -0.60 0.71 1.63 -0.56 0.00 0.00 175.26 176.42 1fxo n LYS 162 N 6.18 -0.54 -2.26 4.30 5.02 0.40 -4.90 118.16 126.37 1fxo n LYS 162 Ca 0.07 0.20 -0.40 0.00 -2.02 0.00 0.00 58.31 56.16 1fxo n LYS 162 Cb 0.47 -2.94 -0.03 0.00 -0.02 0.00 0.00 35.03 32.51 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 -6.96 4.44 0.29 1.97 0.04 -1.26 -4.93 135.00 128.60 1fxo s PRO 163 Ca 0.47 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.61 1fxo s PRO 163 Cb -0.24 -3.09 0.46 0.00 0.04 0.00 0.00 34.50 31.67 1fxo s PRO 163 CO 0.94 -0.05 1.72 -0.07 0.04 0.00 0.00 177.00 179.59 1fxo h LEU 164 N 3.50 0.35 -7.02 -3.56 3.38 -1.90 -3.35 115.31 106.71 1fxo h LEU 164 Ca -0.48 -0.13 -0.62 0.00 0.09 0.00 0.00 57.88 56.74 1fxo h LEU 164 Cb 1.22 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 41.46 1fxo h LEU 164 CO 0.66 0.66 -0.62 -1.61 0.09 0.00 0.00 178.44 177.62 1fxo s GLU 165 N -4.32 2.26 0.34 1.13 2.02 -1.26 -5.01 118.70 113.86 1fxo s GLU 165 Ca -0.06 -3.17 -0.28 0.00 0.02 0.00 0.00 54.97 51.48 1fxo s GLU 165 Cb 0.14 -3.19 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 1fxo s GLU 165 CO 0.78 -1.29 1.40 -2.30 0.02 0.00 0.00 175.26 173.87 1fxo n PRO 166 N 2.12 2.37 0.00 0.39 -0.02 -1.26 -4.90 135.00 133.71 1fxo n PRO 166 Ca 0.20 0.83 0.14 0.00 -2.02 0.00 0.00 63.50 62.66 1fxo n PRO 166 Cb 0.36 -2.49 0.63 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.82 0.99 -3.83 -0.52 5.02 -1.26 -4.91 118.16 114.47 1fxo n LYS 167 Ca 0.05 -0.39 -0.05 0.00 -2.02 0.00 0.00 58.31 55.89 1fxo n LYS 167 Cb 0.37 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.27 -0.06 -0.20 4.39 1.04 -1.26 -4.89 113.70 110.45 1fxo s SER 168 Ca 0.34 -0.78 0.15 0.00 0.48 0.00 0.00 55.95 56.14 1fxo s SER 168 Cb 0.21 0.64 0.78 0.00 0.10 0.00 0.00 66.02 67.74 1fxo s SER 168 CO 0.43 -1.25 1.70 0.59 0.98 0.00 0.00 173.24 175.68 1fxo n ASN 169 N -1.07 5.36 -4.49 7.02 3.02 -1.26 -4.83 115.26 119.01 1fxo n ASN 169 Ca -0.05 -2.81 -0.41 0.00 -0.03 0.00 0.00 54.58 51.28 1fxo n ASN 169 Cb 0.60 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.52 3.23 0.19 3.10 1.51 -1.26 -0.47 117.35 121.13 1fxo s TYR 170 Ca 0.53 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 56.03 1fxo s TYR 170 Cb 0.39 -2.51 -0.08 0.00 -0.11 0.00 0.00 41.96 39.66 1fxo s TYR 170 CO 0.18 -0.46 0.62 0.00 -1.11 0.00 0.00 175.55 174.78 1fxo s ALA 171 N 1.69 3.51 -0.16 3.71 0.00 -0.42 -1.19 121.76 128.90 1fxo s ALA 171 Ca 0.05 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1fxo s ALA 171 Cb -0.18 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1fxo s ALA 171 CO 0.10 0.41 0.84 0.08 0.00 0.00 0.00 175.76 177.19 1fxo s VAL 172 N -1.55 4.87 0.84 0.00 1.01 0.41 -1.22 120.40 124.77 1fxo s VAL 172 Ca 0.41 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.93 1fxo s VAL 172 Cb -0.15 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.18 1fxo s VAL 172 CO 0.20 0.03 1.12 0.42 0.00 0.00 0.00 175.10 176.86 1fxo s THR 173 N 2.13 2.55 -0.11 3.92 -4.23 -0.35 -4.58 115.64 114.97 1fxo s THR 173 Ca 0.39 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1fxo s THR 173 Cb -0.17 -2.96 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 1fxo s THR 173 CO 0.13 -0.23 3.25 0.61 -0.54 0.00 0.00 174.62 177.84 1fxo n GLY 174 N -2.28 3.30 2.81 3.99 0.00 -1.26 -4.75 105.19 106.99 1fxo n GLY 174 Ca 0.07 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.55 0.34 -0.03 0.99 2.96 -1.26 -1.66 118.68 119.47 1fxo s LEU 175 Ca 0.59 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.70 1fxo s LEU 175 Cb 0.31 0.15 0.02 0.00 0.50 0.00 0.00 46.19 47.16 1fxo s LEU 175 CO -0.05 -0.21 0.07 -0.31 -1.32 0.00 0.00 176.35 174.53 1fxo s TYR 176 N 1.81 -0.06 -0.10 5.38 1.51 0.48 -4.29 117.35 122.08 1fxo s TYR 176 Ca -0.01 0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 1fxo s TYR 176 Cb -0.12 -0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.64 1fxo s TYR 176 CO -0.05 -0.07 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.13 1fxo s PHE 177 N 0.51 2.78 0.05 2.71 0.40 -0.31 -0.45 117.98 123.66 1fxo s PHE 177 Ca -0.04 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1fxo s PHE 177 Cb -0.06 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1fxo s PHE 177 CO -0.02 -0.03 -0.10 0.71 0.70 0.00 0.00 175.22 176.48 1fxo s TYR 178 N -0.11 0.83 0.00 0.36 1.51 0.39 -1.06 117.35 119.28 1fxo s TYR 178 Ca -0.01 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1fxo s TYR 178 Cb -0.14 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.23 1fxo s TYR 178 CO 0.03 -0.04 0.00 -0.40 -1.11 0.00 0.00 175.55 174.03 1fxo n ASP 179 N 1.43 0.00 0.00 2.29 5.68 -0.63 -1.00 116.55 124.32 1fxo n ASP 179 Ca -0.22 -0.74 0.06 0.00 -0.50 0.00 0.00 54.79 53.38 1fxo n ASP 179 Cb 0.54 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.80 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 -0.74 0.06 0.14 0.11 3.00 -1.26 -3.24 117.38 115.45 1fxo n GLN 180 Ca 0.00 0.25 0.13 0.00 -0.01 0.00 0.00 57.00 57.37 1fxo n GLN 180 Cb 0.00 -1.50 0.41 0.00 0.00 0.00 0.00 30.24 29.15 1fxo n GLN 180 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1fxo h GLN 181 N 0.00 0.00 -0.46 -1.09 4.20 -1.93 -3.38 115.11 112.45 1fxo h GLN 181 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1fxo h GLN 181 Cb 0.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1fxo h GLN 181 CO 0.00 0.00 -0.13 -0.24 -0.67 0.00 0.00 178.83 177.79 1fxo h VAL 182 N 0.00 1.26 -0.63 -0.54 3.04 -1.94 -2.28 116.25 115.17 1fxo h VAL 182 Ca 0.00 -1.23 0.05 0.00 -1.01 0.00 0.00 66.70 64.51 1fxo h VAL 182 Cb 0.68 1.05 -0.05 0.00 -2.01 0.00 0.00 31.29 30.96 1fxo h VAL 182 CO 0.00 0.42 0.36 0.58 -1.01 0.00 0.00 177.57 177.92 1fxo h VAL 183 N 0.76 1.01 -0.00 1.51 2.07 -1.86 0.34 116.25 120.07 1fxo h VAL 183 Ca 0.12 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1fxo h VAL 183 Cb 0.64 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1fxo h VAL 183 CO 0.04 0.12 -0.80 0.44 0.02 0.00 0.00 177.57 177.40 1fxo h ASP 184 N 0.68 0.13 -0.32 0.57 3.32 -1.76 -1.17 116.42 117.87 1fxo h ASP 184 Ca 0.27 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1fxo h ASP 184 Cb 0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1fxo h ASP 184 CO -0.15 0.87 0.17 0.40 -1.72 0.00 0.00 179.24 178.81 1fxo h ILE 185 N 0.06 1.14 -0.30 0.35 2.04 -1.09 -2.23 117.51 117.48 1fxo h ILE 185 Ca -0.02 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1fxo h ILE 185 Cb 1.40 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1fxo h ILE 185 CO 0.11 0.15 -0.14 0.00 0.00 0.00 0.00 178.15 178.27 1fxo h ALA 186 N 1.03 1.20 -0.11 1.87 0.00 -0.53 -2.35 119.26 120.36 1fxo h ALA 186 Ca 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1fxo h ALA 186 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fxo h ALA 186 CO -0.02 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 1fxo h ARG 187 N 0.48 0.17 -0.70 0.00 3.08 -0.83 -2.83 114.38 113.75 1fxo h ARG 187 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1fxo h ARG 187 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1fxo h ARG 187 CO 0.03 0.30 0.00 -0.25 -1.07 0.00 0.00 179.97 178.98 1fxo n ASP 188 N -4.32 4.17 -4.76 7.04 8.00 -0.87 -5.02 116.55 120.79 1fxo n ASP 188 Ca -0.01 -2.13 -0.39 0.00 0.71 0.00 0.00 54.79 52.97 1fxo n ASP 188 Cb 0.24 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.25 4.08 -0.30 0.64 1.43 -1.07 -5.00 118.68 117.22 1fxo s LEU 189 Ca 0.49 2.60 -0.23 0.00 -1.03 0.00 0.00 54.13 55.97 1fxo s LEU 189 Cb 0.27 -4.07 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 1fxo s LEU 189 CO 0.30 -1.03 0.76 -0.54 0.23 0.00 0.00 176.35 176.07 1fxo s LYS 190 N -2.50 3.98 0.50 1.70 1.02 -1.26 -5.00 119.74 118.18 1fxo s LYS 190 Ca 0.62 0.58 -0.23 0.00 0.02 0.00 0.00 55.97 56.95 1fxo s LYS 190 Cb -0.36 -3.72 -0.07 0.00 -0.52 0.00 0.00 37.83 33.16 1fxo s LYS 190 CO 0.45 -0.64 1.29 -2.30 -0.92 0.00 0.00 175.35 173.23 1fxo n PRO 191 N 6.12 1.73 -1.38 -1.68 -0.02 -1.26 -4.84 135.00 133.66 1fxo n PRO 191 Ca 0.03 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1fxo n PRO 191 Cb 0.48 -2.46 0.13 0.00 -0.02 0.00 0.00 33.50 31.63 1fxo n PRO 191 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1fxo s SER 192 N -0.78 3.70 0.01 2.55 0.15 0.10 -4.88 113.70 114.55 1fxo s SER 192 Ca 0.67 1.29 -0.07 0.00 0.70 0.00 0.00 55.95 58.54 1fxo s SER 192 Cb -0.45 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1fxo s SER 192 CO 0.53 -2.47 0.87 -0.65 1.20 0.00 0.00 173.24 172.72 1fxo h PRO 193 N -1.43 -0.23 -0.90 5.44 0.11 -1.91 -2.58 132.00 130.50 1fxo h PRO 193 Ca -0.50 0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.90 1fxo h PRO 193 Cb 1.29 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1fxo h PRO 193 CO 0.58 -0.15 0.64 0.54 -0.21 0.00 0.00 178.00 179.39 1fxo n ARG 194 N -2.79 -0.00 0.00 1.05 1.74 -1.26 -4.57 116.66 110.82 1fxo n ARG 194 Ca -0.03 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1fxo n ARG 194 Cb 0.10 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.41 0.47 3.96 -0.13 0.00 -0.97 -5.10 105.19 102.01 1fxo n GLY 195 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.80 2.51 -0.53 1.61 0.41 -1.26 -4.35 118.70 116.28 1fxo s GLU 196 Ca 0.00 -0.57 -0.18 0.00 -0.41 0.00 0.00 54.97 53.82 1fxo s GLU 196 Cb 0.00 -2.39 0.09 0.00 -1.78 0.00 0.00 34.13 30.05 1fxo s GLU 196 CO 0.00 -0.83 0.57 -0.51 -0.49 0.00 0.00 175.26 174.00 1fxo s LEU 197 N -4.90 5.47 -0.11 1.80 1.43 0.50 0.00 118.68 122.89 1fxo s LEU 197 Ca 0.57 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.18 1fxo s LEU 197 Cb -0.10 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1fxo s LEU 197 CO 0.40 -0.89 0.42 -1.61 0.23 0.00 0.00 176.35 174.90 1fxo s GLU 198 N 2.22 4.25 0.45 1.70 0.41 -1.26 -1.37 118.70 125.11 1fxo s GLU 198 Ca 0.09 0.36 0.17 0.00 -0.41 0.00 0.00 54.97 55.19 1fxo s GLU 198 Cb -0.24 -3.40 1.06 0.00 -1.78 0.00 0.00 34.13 29.77 1fxo s GLU 198 CO 0.07 0.27 1.98 0.97 -0.49 0.00 0.00 175.26 178.06 1fxo h ILE 199 N 4.53 1.01 -0.37 -1.63 6.09 -1.94 -1.66 117.51 123.54 1fxo h ILE 199 Ca -0.43 -0.74 -0.04 0.00 -1.37 0.00 0.00 64.86 62.29 1fxo h ILE 199 Cb 1.18 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 39.87 1fxo h ILE 199 CO 0.73 0.20 0.07 0.74 -3.07 0.00 0.00 178.15 176.82 1fxo h THR 200 N 0.00 1.18 -0.32 2.19 2.02 -1.99 0.16 112.91 116.14 1fxo h THR 200 Ca -0.00 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.41 1fxo h THR 200 Cb 0.40 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1fxo h THR 200 CO 0.03 0.23 -0.28 0.44 0.37 0.00 0.00 175.52 176.31 1fxo h ASP 201 N 0.53 0.69 -0.26 4.18 3.32 -1.71 0.06 116.42 123.23 1fxo h ASP 201 Ca 0.12 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1fxo h ASP 201 Cb 0.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1fxo h ASP 201 CO -0.00 0.93 0.13 0.58 -1.72 0.00 0.00 179.24 179.16 1fxo h VAL 202 N 0.58 1.13 -0.40 -1.35 2.07 -1.04 -2.18 116.25 115.06 1fxo h VAL 202 Ca 0.07 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1fxo h VAL 202 Cb 0.77 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1fxo h VAL 202 CO 0.06 0.13 0.03 0.78 0.02 0.00 0.00 177.57 178.59 1fxo h ASN 203 N 0.29 0.58 -0.14 0.57 2.35 -0.81 -2.20 115.58 116.23 1fxo h ASN 203 Ca 0.09 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1fxo h ASN 203 Cb 0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1fxo h ASN 203 CO -0.01 0.63 -0.21 -0.09 -1.65 0.00 0.00 177.43 176.10 1fxo h ARG 204 N 0.59 0.56 -0.70 0.81 2.43 -0.81 -1.04 114.38 116.24 1fxo h ARG 204 Ca 0.13 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1fxo h ARG 204 Cb 0.33 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1fxo h ARG 204 CO 0.01 0.74 0.42 0.00 -1.51 0.00 0.00 179.97 179.63 1fxo h ALA 205 N 1.27 0.92 -0.34 2.80 0.00 -0.75 0.41 119.26 123.57 1fxo h ALA 205 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1fxo h ALA 205 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1fxo h ALA 205 CO 0.05 0.15 -0.06 1.88 0.00 0.00 0.00 179.25 181.27 1fxo h TYR 206 N 0.80 0.72 -0.88 0.00 -1.99 -1.28 -3.06 116.97 111.28 1fxo h TYR 206 Ca 0.29 -0.15 0.08 0.00 2.00 0.00 0.00 58.73 60.95 1fxo h TYR 206 Cb 0.09 -0.18 -0.07 0.00 2.00 0.00 0.00 36.73 38.57 1fxo h TYR 206 CO -0.05 0.80 0.54 1.25 -0.00 0.00 0.00 178.16 180.70 1fxo h LEU 207 N 0.44 0.83 -0.20 3.88 5.85 -0.51 0.09 115.31 125.69 1fxo h LEU 207 Ca 0.09 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1fxo h LEU 207 Cb 0.55 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1fxo h LEU 207 CO 0.03 0.51 0.00 -0.62 -0.34 0.00 0.00 178.44 178.02 1fxo n GLU 208 N -4.64 0.10 -0.15 1.25 1.02 0.07 -1.27 120.64 117.03 1fxo n GLU 208 Ca 0.14 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.63 1fxo n GLU 208 Cb 0.22 -1.66 0.18 0.00 -0.02 0.00 0.00 31.44 30.16 1fxo n GLU 208 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1fxo n ARG 209 N -1.84 2.28 -1.64 3.49 5.12 -0.73 -4.97 116.66 118.37 1fxo n ARG 209 Ca 0.04 -2.10 -0.10 0.00 -1.93 0.00 0.00 57.85 53.76 1fxo n ARG 209 Cb 0.27 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 1fxo n ARG 209 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fxo n GLY 210 N 1.28 0.71 0.41 -0.13 0.00 -0.39 -4.92 105.19 102.14 1fxo n GLY 210 Ca 0.16 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 2.32 -3.66 1.61 6.02 -0.06 -4.97 117.38 116.20 1fxo n GLN 211 Ca -0.11 -2.42 -0.37 0.00 -0.01 0.00 0.00 57.00 54.09 1fxo n GLN 211 Cb 0.43 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.08 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 -2.30 3.89 -0.24 1.08 2.96 -1.21 -1.36 118.68 121.50 1fxo s LEU 212 Ca 0.29 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 1fxo s LEU 212 Cb 0.23 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 1fxo s LEU 212 CO 0.06 -0.01 0.20 -0.44 -1.32 0.00 0.00 176.35 174.84 1fxo s SER 213 N 1.52 6.15 -0.31 3.68 0.01 0.70 -4.92 113.70 120.54 1fxo s SER 213 Ca 0.07 0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 1fxo s SER 213 Cb -0.15 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 64.00 1fxo s SER 213 CO 0.08 0.02 0.02 -0.69 0.41 0.00 0.00 173.24 173.08 1fxo s VAL 214 N 1.21 3.15 -0.13 3.43 1.01 -1.26 -1.04 120.40 126.76 1fxo s VAL 214 Ca 0.09 -1.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1fxo s VAL 214 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1fxo s VAL 214 CO 0.06 -0.12 0.26 -1.61 0.00 0.00 0.00 175.10 173.68 1fxo s GLU 215 N 1.28 3.99 0.18 2.72 0.41 -0.48 -4.94 118.70 121.86 1fxo s GLU 215 Ca -0.04 0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.27 1fxo s GLU 215 Cb -0.20 -3.33 -0.08 0.00 -1.78 0.00 0.00 34.13 28.74 1fxo s GLU 215 CO -0.00 0.46 1.26 0.42 -0.49 0.00 0.00 175.26 176.91 1fxo s ILE 216 N -0.20 3.40 -0.46 -1.63 -1.09 -1.26 -0.91 121.20 119.05 1fxo s ILE 216 Ca 0.16 1.15 -0.12 0.00 -2.23 0.00 0.00 60.65 59.61 1fxo s ILE 216 Cb -0.13 -3.73 0.09 0.00 -1.58 0.00 0.00 42.46 37.10 1fxo s ILE 216 CO 0.05 0.17 0.35 -0.32 -1.23 0.00 0.00 174.94 173.96 1fxo s MET 217 N -0.07 2.74 1.10 2.79 -2.45 0.14 -4.84 119.30 118.72 1fxo s MET 217 Ca 0.55 -1.52 -0.12 0.00 -1.25 0.00 0.00 55.69 53.36 1fxo s MET 217 Cb -0.35 -3.98 0.25 0.00 1.25 0.00 0.00 34.83 32.01 1fxo s MET 217 CO 0.37 -1.07 1.06 0.20 1.05 0.00 0.00 175.02 176.63 1fxo s GLY 218 N 2.56 1.58 0.19 2.11 0.00 -1.26 -4.45 107.32 108.05 1fxo s GLY 218 Ca 0.04 0.07 0.19 0.00 0.00 0.00 0.00 44.72 45.01 1fxo s GLY 218 CO 0.03 0.71 1.57 -0.96 0.00 0.00 0.00 173.10 174.45 1fxo n ARG 219 N -4.77 0.12 0.24 2.90 1.85 -1.26 -1.54 116.66 114.21 1fxo n ARG 219 Ca 0.05 0.44 0.15 0.00 -1.00 0.00 0.00 57.85 57.50 1fxo n ARG 219 Cb 0.54 -1.77 0.52 0.00 -1.05 0.00 0.00 32.46 30.70 1fxo n ARG 219 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1fxo h GLY 220 N 1.58 0.00 -2.62 2.89 0.00 -1.98 -3.43 103.07 99.51 1fxo h GLY 220 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1fxo h GLY 220 CO 0.00 0.00 0.26 -0.19 0.00 0.00 0.00 176.54 176.61 1fxo s TYR 221 N -3.49 3.44 -0.22 5.60 1.51 -0.59 -4.74 117.35 118.87 1fxo s TYR 221 Ca 0.03 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.52 1fxo s TYR 221 Cb 0.08 -2.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 1fxo s TYR 221 CO 0.56 0.05 0.20 0.00 -1.11 0.00 0.00 175.55 175.25 1fxo s ALA 222 N -1.95 3.61 -0.28 3.71 0.00 0.25 -4.97 121.76 122.14 1fxo s ALA 222 Ca 0.56 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1fxo s ALA 222 Cb -0.12 -2.35 0.07 0.00 0.00 0.00 0.00 23.12 20.72 1fxo s ALA 222 CO 0.17 -0.14 -0.04 -0.46 0.00 0.00 0.00 175.76 175.29 1fxo s TRP 223 N 0.96 3.01 0.11 0.00 -0.00 -1.26 -0.90 118.94 120.86 1fxo s TRP 223 Ca 0.10 -2.28 0.07 0.00 -0.00 0.00 0.00 56.10 53.98 1fxo s TRP 223 Cb -0.13 -2.05 -0.04 0.00 -0.00 0.00 0.00 33.47 31.25 1fxo s TRP 223 CO 0.04 -0.86 -0.07 -0.51 -0.00 0.00 0.00 176.95 175.55 1fxo s LEU 224 N 1.18 3.16 -0.15 5.86 1.43 0.48 -4.99 118.68 125.66 1fxo s LEU 224 Ca -0.02 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1fxo s LEU 224 Cb -0.19 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1fxo s LEU 224 CO -0.07 0.17 -0.14 -0.62 0.23 0.00 0.00 176.35 175.91 1fxo s ASP 225 N -2.32 3.79 -0.31 2.29 -1.08 -1.26 -1.39 116.67 116.39 1fxo s ASP 225 Ca 0.23 -0.42 0.02 0.00 -0.52 0.00 0.00 52.55 51.86 1fxo s ASP 225 Cb -0.11 -1.58 0.40 0.00 -1.46 0.00 0.00 42.92 40.17 1fxo s ASP 225 CO 0.15 0.11 1.66 0.35 0.52 0.00 0.00 175.17 177.97 1fxo n THR 226 N 3.89 2.52 0.38 1.71 -2.24 -0.81 -4.60 114.28 115.13 1fxo n THR 226 Ca -0.19 -1.37 0.13 0.00 -2.27 0.00 0.00 64.05 60.35 1fxo n THR 226 Cb 0.52 -0.77 0.28 0.00 -2.10 0.00 0.00 70.33 68.26 1fxo n THR 226 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1fxo h GLY 227 N 2.14 0.00 -2.12 3.38 0.00 -1.92 -3.40 103.07 101.15 1fxo h GLY 227 Ca 0.40 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.15 1fxo h GLY 227 CO 0.76 0.00 -0.71 -0.51 0.00 0.00 0.00 176.54 176.08 1fxo s THR 228 N -3.18 2.18 0.22 4.70 -4.23 -1.26 -4.85 115.64 109.21 1fxo s THR 228 Ca 0.08 -2.26 -0.09 0.00 -1.18 0.00 0.00 61.69 58.25 1fxo s THR 228 Cb 0.08 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.62 1fxo s THR 228 CO 0.64 -0.31 1.84 0.45 -0.54 0.00 0.00 174.62 176.69 1fxo h HIS 229 N 2.18 0.83 -0.39 3.99 3.86 -1.97 -1.69 115.15 121.96 1fxo h HIS 229 Ca -0.41 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.72 1fxo h HIS 229 Cb 1.25 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1fxo h HIS 229 CO 0.76 0.44 -0.20 -0.44 0.86 0.00 0.00 177.93 179.36 1fxo h ASP 230 N 0.84 0.84 -0.71 2.45 3.32 -1.97 -2.82 116.42 118.38 1fxo h ASP 230 Ca 0.31 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1fxo h ASP 230 Cb 0.10 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1fxo h ASP 230 CO -0.14 1.07 0.21 -1.28 -1.72 0.00 0.00 179.24 177.38 1fxo h SER 231 N 0.62 1.04 -0.44 6.45 0.87 -1.84 -1.49 113.55 118.76 1fxo h SER 231 Ca 0.08 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 1fxo h SER 231 Cb 0.75 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1fxo h SER 231 CO 0.06 0.97 0.05 0.25 -0.53 0.00 0.00 176.83 177.63 1fxo h LEU 232 N 1.07 0.78 -0.55 2.23 5.85 -1.29 -0.12 115.31 123.28 1fxo h LEU 232 Ca 0.23 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1fxo h LEU 232 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1fxo h LEU 232 CO -0.01 0.82 -0.17 0.25 -0.34 0.00 0.00 178.44 178.99 1fxo h LEU 233 N 0.78 1.00 -0.77 2.25 5.85 -1.18 -1.31 115.31 121.93 1fxo h LEU 233 Ca 0.16 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1fxo h LEU 233 Cb 0.40 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1fxo h LEU 233 CO 0.01 1.15 0.10 -0.33 -0.34 0.00 0.00 178.44 179.03 1fxo h GLU 234 N 0.86 1.03 -0.39 1.25 5.08 -0.89 -1.81 114.58 119.72 1fxo h GLU 234 Ca 0.12 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1fxo h GLU 234 Cb 0.74 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1fxo h GLU 234 CO 0.06 0.95 0.01 0.00 -1.00 0.00 0.00 179.01 179.03 1fxo h ALA 235 N 1.13 0.52 -0.58 3.43 0.00 -0.79 -0.73 119.26 122.25 1fxo h ALA 235 Ca 0.19 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1fxo h ALA 235 Cb 0.42 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1fxo h ALA 235 CO 0.01 0.28 0.15 0.78 0.00 0.00 0.00 179.25 180.47 1fxo h GLY 236 N 0.50 0.75 1.33 0.00 0.00 -0.91 -1.57 103.07 103.17 1fxo h GLY 236 Ca 0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1fxo h GLY 236 CO 0.02 -0.08 -0.24 -1.61 0.00 0.00 0.00 176.54 174.63 1fxo h GLN 237 N 0.30 0.77 -0.07 4.80 5.75 -1.10 -0.97 115.11 124.59 1fxo h GLN 237 Ca 0.30 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1fxo h GLN 237 Cb 0.41 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1fxo h GLN 237 CO -0.35 0.93 0.04 0.35 -2.65 0.00 0.00 178.83 177.14 1fxo h PHE 238 N 0.66 0.07 -0.43 3.99 3.57 -0.62 -0.26 116.94 123.93 1fxo h PHE 238 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1fxo h PHE 238 Cb 0.76 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1fxo h PHE 238 CO 0.04 0.04 0.13 0.82 -2.23 0.00 0.00 178.31 177.11 1fxo h ILE 239 N 0.08 1.22 -0.80 1.41 1.08 -1.19 -2.32 117.51 116.99 1fxo h ILE 239 Ca 0.03 -0.73 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1fxo h ILE 239 Cb 0.00 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 1fxo h ILE 239 CO -0.02 0.26 0.52 0.00 -0.69 0.00 0.00 178.15 178.23 1fxo h ALA 240 N 0.98 1.02 -0.20 1.87 0.00 -0.91 0.13 119.26 122.16 1fxo h ALA 240 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fxo h ALA 240 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fxo h ALA 240 CO -0.00 0.39 0.03 1.15 0.00 0.00 0.00 179.25 180.82 1fxo h THR 241 N 1.06 1.23 -0.30 0.00 2.02 -0.83 0.21 112.91 116.31 1fxo h THR 241 Ca 0.30 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1fxo h THR 241 Cb -0.08 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1fxo h THR 241 CO -0.08 0.24 0.15 -0.07 0.37 0.00 0.00 175.52 176.13 1fxo h LEU 242 N 0.12 0.38 -0.45 2.58 3.38 -1.00 -1.83 115.31 118.49 1fxo h LEU 242 Ca 0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1fxo h LEU 242 Cb 0.33 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1fxo h LEU 242 CO 0.01 0.37 -0.09 -0.33 0.09 0.00 0.00 178.44 178.49 1fxo h GLU 243 N 0.35 0.86 -0.11 1.13 5.08 -0.55 -1.21 114.58 120.14 1fxo h GLU 243 Ca 0.10 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1fxo h GLU 243 Cb 0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1fxo h GLU 243 CO -0.02 0.95 -0.55 -0.91 -1.00 0.00 0.00 179.01 177.48 1fxo h ASN 244 N 0.70 0.35 -0.32 1.42 2.35 -0.92 0.69 115.58 119.85 1fxo h ASN 244 Ca 0.12 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1fxo h ASN 244 Cb 0.62 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1fxo h ASN 244 CO 0.04 0.83 -0.14 -0.09 -1.65 0.00 0.00 177.43 176.43 1fxo h ARG 245 N 0.24 0.65 0.01 0.81 9.65 -1.16 -3.36 114.38 121.23 1fxo h ARG 245 Ca 0.00 -0.28 -0.27 0.00 -1.10 0.00 0.00 59.98 58.33 1fxo h ARG 245 Cb 1.05 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.57 1fxo h ARG 245 CO 0.09 0.86 -1.50 1.96 2.80 0.00 0.00 179.97 184.18 1fxo h GLN 246 N 0.41 0.03 -0.71 0.20 4.20 -1.13 -3.48 115.11 114.64 1fxo h GLN 246 Ca 0.07 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 1fxo h GLN 246 Cb 0.66 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.39 1fxo h GLN 246 CO 0.04 0.72 -0.21 0.41 -0.67 0.00 0.00 178.83 179.12 1fxo n GLY 247 N 1.52 0.92 3.40 3.46 0.00 0.23 -5.02 105.19 109.70 1fxo n GLY 247 Ca -0.12 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.52 2.45 0.01 0.99 1.43 -1.24 -5.09 118.68 114.71 1fxo s LEU 248 Ca 0.00 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 1fxo s LEU 248 Cb 0.00 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1fxo s LEU 248 CO 0.00 0.07 -0.08 -0.54 0.23 0.00 0.00 176.35 176.03 1fxo s LYS 249 N -2.76 2.49 -0.05 1.70 1.02 -1.26 -4.31 119.74 116.56 1fxo s LYS 249 Ca 0.20 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.20 1fxo s LYS 249 Cb -0.07 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1fxo s LYS 249 CO 0.09 0.59 0.72 0.08 -0.92 0.00 0.00 175.35 175.91 1fxo s VAL 250 N -0.99 5.01 -1.31 3.17 1.01 -1.26 -4.47 120.40 121.56 1fxo s VAL 250 Ca 0.17 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 1fxo s VAL 250 Cb -0.11 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1fxo s VAL 250 CO 0.07 0.26 1.06 0.00 0.00 0.00 0.00 175.10 176.49 1fxo n ALA 251 N 3.67 -1.64 -2.59 5.51 0.00 -1.26 -4.96 120.51 119.23 1fxo n ALA 251 Ca -0.01 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 1fxo n ALA 251 Cb 0.51 -3.95 -0.05 0.00 0.00 0.00 0.00 19.45 15.96 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 9.10 0.36 -0.44 0.00 0.11 -1.93 -1.10 132.00 138.10 1fxo h PRO 253 Ca -0.25 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 1fxo h PRO 253 Cb 1.08 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1fxo h PRO 253 CO 1.01 0.24 -0.20 0.93 -0.21 0.00 0.00 178.00 179.76 1fxo h GLU 254 N 0.37 0.88 -0.24 1.05 3.07 -1.95 -0.19 114.58 117.57 1fxo h GLU 254 Ca 0.25 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1fxo h GLU 254 Cb 0.50 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1fxo h GLU 254 CO -0.06 1.00 -0.03 1.49 -1.40 0.00 0.00 179.01 180.01 1fxo h GLU 255 N 0.77 0.44 -0.47 2.33 4.81 -1.64 -2.44 114.58 118.36 1fxo h GLU 255 Ca 0.11 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1fxo h GLU 255 Cb 0.74 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1fxo h GLU 255 CO 0.06 0.64 0.28 0.82 -0.73 0.00 0.00 179.01 180.08 1fxo h ILE 256 N 0.19 1.15 -0.95 2.32 2.04 -1.11 -0.42 117.51 120.74 1fxo h ILE 256 Ca 0.06 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1fxo h ILE 256 Cb 0.46 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1fxo h ILE 256 CO 0.02 0.16 0.60 0.00 0.00 0.00 0.00 178.15 178.92 1fxo h ALA 257 N 1.13 1.33 -0.06 1.87 0.00 -1.01 -0.52 119.26 122.01 1fxo h ALA 257 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1fxo h ALA 257 Cb 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1fxo h ALA 257 CO -0.03 0.34 -0.03 -0.92 0.00 0.00 0.00 179.25 178.61 1fxo h TYR 258 N 1.06 0.14 -0.16 0.00 3.20 -0.99 0.13 116.97 120.35 1fxo h TYR 258 Ca 0.42 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 1fxo h TYR 258 Cb 0.23 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1fxo h TYR 258 CO -0.02 0.51 0.02 0.00 -1.64 0.00 0.00 178.16 177.04 1fxo h ARG 259 N -0.28 0.22 -0.06 1.82 3.08 -0.68 -1.69 114.38 116.80 1fxo h ARG 259 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fxo h ARG 259 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1fxo h ARG 259 CO 0.01 0.23 0.00 1.04 -1.07 0.00 0.00 179.97 180.18 1fxo n GLN 260 N -4.42 1.41 -1.93 0.04 6.02 -0.24 -4.92 117.38 113.33 1fxo n GLN 260 Ca -0.01 -0.61 -0.19 0.00 -0.01 0.00 0.00 57.00 56.19 1fxo n GLN 260 Cb 0.15 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 1fxo n GLN 260 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1fxo n LYS 261 N -0.22 -1.40 0.17 -1.09 5.02 -0.64 -4.89 118.16 115.11 1fxo n LYS 261 Ca 0.18 1.05 0.06 0.00 -2.02 0.00 0.00 58.31 57.58 1fxo n LYS 261 Cb 0.23 -5.47 0.08 0.00 -0.02 0.00 0.00 35.03 29.86 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 -3.97 2.13 6.55 -1.00 -3.45 115.95 116.21 1fxo h TRP 262 Ca -0.42 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.19 1fxo h TRP 262 Cb 1.28 0.00 -0.21 0.00 -0.86 0.00 0.00 29.16 29.37 1fxo h TRP 262 CO 0.52 0.29 -0.72 0.96 -1.05 0.00 0.00 178.44 178.44 1fxo s ILE 263 N -3.06 0.41 0.60 1.49 -4.36 -1.13 -4.29 121.20 110.86 1fxo s ILE 263 Ca 0.05 -1.11 0.06 0.00 -0.26 0.00 0.00 60.65 59.38 1fxo s ILE 263 Cb 0.07 -0.61 0.09 0.00 1.25 0.00 0.00 42.46 43.25 1fxo s ILE 263 CO 0.72 -0.47 0.83 1.51 0.24 0.00 0.00 174.94 177.76 1fxo s ASP 264 N -1.69 4.94 0.34 4.36 1.47 -1.26 -4.42 116.67 120.41 1fxo s ASP 264 Ca -0.10 -0.58 0.05 0.00 1.18 0.00 0.00 52.55 53.10 1fxo s ASP 264 Cb -0.08 -0.00 0.69 0.00 -0.34 0.00 0.00 42.92 43.19 1fxo s ASP 264 CO -0.01 -1.43 1.92 0.00 0.68 0.00 0.00 175.17 176.33 1fxo h ALA 265 N -0.00 1.68 -0.49 2.11 0.00 -1.99 -0.98 119.26 119.58 1fxo h ALA 265 Ca -0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1fxo h ALA 265 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1fxo h ALA 265 CO 0.42 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.80 1fxo h ALA 266 N 1.57 1.02 -0.33 0.00 0.00 -2.00 -2.02 119.26 117.50 1fxo h ALA 266 Ca 0.38 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1fxo h ALA 266 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1fxo h ALA 266 CO -0.15 0.60 -0.25 1.96 0.00 0.00 0.00 179.25 181.42 1fxo h GLN 267 N 0.78 0.76 -0.63 0.00 4.20 -1.66 -2.22 115.11 116.34 1fxo h GLN 267 Ca 0.14 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1fxo h GLN 267 Cb 0.52 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1fxo h GLN 267 CO 0.03 0.99 0.33 1.25 -0.67 0.00 0.00 178.83 180.76 1fxo h LEU 268 N 0.53 0.80 -0.69 1.46 5.85 -1.05 -1.57 115.31 120.64 1fxo h LEU 268 Ca 0.06 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1fxo h LEU 268 Cb 0.81 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1fxo h LEU 268 CO 0.07 0.68 0.41 -0.08 -0.34 0.00 0.00 178.44 179.17 1fxo h GLU 269 N 0.85 0.94 -0.40 1.25 4.81 -1.28 0.08 114.58 120.83 1fxo h GLU 269 Ca 0.22 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1fxo h GLU 269 Cb 0.07 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1fxo h GLU 269 CO -0.03 0.68 0.06 -0.22 -0.73 0.00 0.00 179.01 178.76 1fxo h LYS 270 N 0.94 0.61 -0.24 1.92 3.64 -0.94 -2.22 116.57 120.28 1fxo h LYS 270 Ca 0.25 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1fxo h LYS 270 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1fxo h LYS 270 CO -0.04 0.59 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.21 1fxo h LEU 271 N 0.59 0.65 -0.98 5.20 3.38 -0.61 -3.24 115.31 120.29 1fxo h LEU 271 Ca 0.13 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1fxo h LEU 271 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1fxo h LEU 271 CO 0.00 1.01 -0.39 0.00 0.09 0.00 0.00 178.44 179.15 1fxo h ALA 272 N 1.02 1.14 -0.52 1.53 0.00 -0.50 -3.37 119.26 118.57 1fxo h ALA 272 Ca 0.03 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.64 1fxo h ALA 272 Cb 0.97 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1fxo h ALA 272 CO 0.09 0.57 0.08 0.00 0.00 0.00 0.00 179.25 179.99 1fxo h ALA 273 N 1.40 0.56 0.00 0.00 0.00 -1.44 -1.37 119.26 118.42 1fxo h ALA 273 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fxo h ALA 273 Cb 0.78 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1fxo h ALA 273 CO 0.06 -0.33 0.00 -0.35 0.00 0.00 0.00 179.25 178.63 1fxo n PRO 274 N -5.15 0.08 -0.18 0.00 -0.05 -1.26 -2.36 135.00 126.08 1fxo n PRO 274 Ca 0.06 0.21 0.06 0.00 -0.05 0.00 0.00 63.50 63.78 1fxo n PRO 274 Cb 0.27 -1.62 0.16 0.00 -0.05 0.00 0.00 33.50 32.25 1fxo n PRO 274 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1fxo n LEU 275 N -1.76 2.95 0.28 1.53 4.77 -0.60 -4.67 117.00 119.50 1fxo n LEU 275 Ca 0.04 -1.99 0.13 0.00 -0.03 0.00 0.00 56.01 54.17 1fxo n LEU 275 Cb 0.27 -0.24 0.80 0.00 -2.33 0.00 0.00 43.42 41.91 1fxo n LEU 275 CO 0.21 0.74 1.04 0.00 -1.33 0.00 0.00 177.39 178.04 1fxo h ALA 276 N 2.12 1.40 -0.00 -1.18 0.00 -0.95 -0.93 119.26 119.71 1fxo h ALA 276 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fxo h ALA 276 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1fxo h ALA 276 CO 0.00 0.09 -0.00 1.63 0.00 0.00 0.00 179.25 180.97 1fxo n LYS 277 N -3.76 1.01 -4.41 0.00 4.76 -1.26 -4.38 118.16 110.12 1fxo n LYS 277 Ca -0.02 -0.04 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 1fxo n LYS 277 Cb 0.17 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.76 1fxo n LYS 277 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1fxo s ASN 278 N -2.02 2.31 0.53 4.39 2.20 -0.42 -5.04 114.94 116.90 1fxo s ASN 278 Ca 0.47 -1.29 0.19 0.00 -0.94 0.00 0.00 52.86 51.29 1fxo s ASN 278 Cb 0.22 -0.08 1.34 0.00 -2.00 0.00 0.00 41.25 40.73 1fxo s ASN 278 CO 0.37 -0.52 2.12 1.23 -2.94 0.00 0.00 177.10 177.36 1fxo h GLY 279 N 2.25 0.00 0.61 0.45 0.00 -1.88 -0.70 103.07 103.80 1fxo h GLY 279 Ca -0.40 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1fxo h GLY 279 CO 0.68 0.00 -0.31 -1.82 0.00 0.00 0.00 176.54 175.08 1fxo h TYR 280 N 0.00 0.38 -0.65 5.60 3.20 -1.96 -1.05 116.97 122.50 1fxo h TYR 280 Ca 0.06 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.68 1fxo h TYR 280 Cb 0.25 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1fxo h TYR 280 CO 0.00 0.94 0.13 0.78 -1.64 0.00 0.00 178.16 178.37 1fxo h GLY 281 N -0.28 1.13 1.02 1.82 0.00 -0.96 -2.18 103.07 103.61 1fxo h GLY 281 Ca -0.03 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1fxo h GLY 281 CO 0.06 0.67 0.55 1.46 0.00 0.00 0.00 176.54 179.29 1fxo h GLN 282 N 0.99 1.00 -0.15 4.80 4.20 -1.09 -1.90 115.11 122.97 1fxo h GLN 282 Ca 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1fxo h GLN 282 Cb 0.39 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1fxo h GLN 282 CO 0.01 0.66 0.03 -0.92 -0.67 0.00 0.00 178.83 177.94 1fxo h TYR 283 N 1.03 0.25 -0.77 2.96 3.20 -0.74 -2.31 116.97 120.58 1fxo h TYR 283 Ca 0.34 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.24 1fxo h TYR 283 Cb 0.07 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1fxo h TYR 283 CO -0.00 0.39 0.47 -0.07 -1.64 0.00 0.00 178.16 177.30 1fxo h LEU 284 N 0.04 0.73 -0.85 2.82 3.38 -1.05 -2.09 115.31 118.29 1fxo h LEU 284 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1fxo h LEU 284 Cb 0.26 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1fxo h LEU 284 CO 0.00 0.48 0.44 0.11 0.09 0.00 0.00 178.44 179.56 1fxo h LYS 285 N 0.87 1.21 -0.22 1.13 1.57 -1.18 -2.53 116.57 117.42 1fxo h LYS 285 Ca 0.33 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1fxo h LYS 285 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1fxo h LYS 285 CO -0.16 0.91 0.15 -0.09 -0.57 0.00 0.00 179.45 179.68 1fxo h ARG 286 N 1.20 0.23 0.00 3.15 2.43 -0.81 -2.01 114.38 118.57 1fxo h ARG 286 Ca 0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1fxo h ARG 286 Cb 0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1fxo h ARG 286 CO -0.04 0.15 0.00 -0.07 -1.51 0.00 0.00 179.97 178.50 1fxo h LEU 287 N 0.24 0.00 -0.06 3.80 3.38 -1.11 -1.32 115.31 120.24 1fxo h LEU 287 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1fxo h LEU 287 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1fxo h LEU 287 CO -0.02 0.00 -0.24 -0.07 0.09 0.00 0.00 178.44 178.21 1fxo h LEU 288 N 0.00 0.00 0.00 1.67 3.38 -1.47 -3.35 115.31 115.54 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 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1fxo h LEU 288 CO 0.00 0.24 -1.16 0.35 0.09 0.00 0.00 178.44 177.96 1fxo n THR 289 N -3.17 0.00 -3.55 0.22 -2.24 -0.68 -5.02 114.28 99.84 1fxo n THR 289 Ca 0.03 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 1fxo n THR 289 Cb 0.62 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.26 3.98 -0.17 -0.78 2.12 -0.59 -5.06 118.70 115.94 1fxo s GLU 290 Ca -0.01 0.24 -0.25 0.00 0.36 0.00 0.00 54.97 55.31 1fxo s GLU 290 Cb 0.03 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1fxo s GLU 290 CO 0.18 0.52 0.80 0.99 -0.54 0.00 0.00 175.26 177.21 1fxo s THR 291 N -0.46 4.91 -0.18 -1.70 2.01 -1.26 -4.81 115.64 114.14 1fxo s THR 291 Ca 0.21 1.56 0.01 0.00 0.31 0.00 0.00 61.69 63.77 1fxo s THR 291 Cb -0.15 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.27 1fxo s THR 291 CO 0.09 0.05 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.19 1fxo s VAL 292 N 2.07 2.24 -2.44 3.82 1.01 -1.26 -5.21 120.40 120.63 1fxo s VAL 292 Ca 0.37 -0.89 0.29 0.00 0.00 0.00 0.00 61.98 61.75 1fxo s VAL 292 Cb -0.16 -1.95 0.60 0.00 0.00 0.00 0.00 36.38 34.87 1fxo s VAL 292 CO 0.12 0.53 1.81 -1.22 0.00 0.00 0.00 175.10 176.33