#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 1.36 -4.75 0.03 4.81 -1.26 -5.00 118.16 113.36 1fxo n LYS 2 Ca 0.00 0.48 -0.25 0.00 -0.87 0.00 0.00 58.31 57.67 1fxo n LYS 2 Cb 0.00 -1.90 -0.16 0.00 0.02 0.00 0.00 35.03 33.00 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 -1.22 1.53 0.02 1.64 3.52 -1.26 -4.26 118.95 118.92 1fxo s ARG 3 Ca 0.62 -0.55 -0.13 0.00 -0.13 0.00 0.00 55.73 55.54 1fxo s ARG 3 Cb -0.73 -1.38 -0.06 0.00 -1.56 0.00 0.00 34.95 31.23 1fxo s ARG 3 CO 0.58 0.25 0.40 0.15 -0.81 0.00 0.00 175.30 175.87 1fxo s LYS 4 N -0.04 3.86 0.11 5.12 -0.14 -0.27 -4.60 119.74 123.78 1fxo s LYS 4 Ca -0.01 0.33 0.06 0.00 -1.36 0.00 0.00 55.97 54.99 1fxo s LYS 4 Cb -0.10 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 1fxo s LYS 4 CO 0.01 0.65 -0.02 0.20 -0.76 0.00 0.00 175.35 175.43 1fxo s GLY 5 N -1.28 1.87 -0.05 -3.33 0.00 -0.22 -0.83 107.32 103.47 1fxo s GLY 5 Ca 0.26 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1fxo s GLY 5 CO 0.14 -1.16 -0.10 -0.42 0.00 0.00 0.00 173.10 171.56 1fxo s ILE 6 N -1.35 0.96 -0.28 0.90 1.01 0.26 -0.49 121.20 122.20 1fxo s ILE 6 Ca 0.25 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1fxo s ILE 6 Cb -0.11 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1fxo s ILE 6 CO 0.17 0.31 0.08 -0.63 0.00 0.00 0.00 174.94 174.88 1fxo s ILE 7 N 0.63 4.06 -0.49 2.92 1.01 -0.02 -0.62 121.20 128.69 1fxo s ILE 7 Ca -0.12 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1fxo s ILE 7 Cb -0.14 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.33 1fxo s ILE 7 CO 0.02 0.14 0.63 -0.22 0.00 0.00 0.00 174.94 175.51 1fxo s LEU 8 N 1.53 4.82 -0.40 2.97 2.96 -0.54 -0.91 118.68 129.10 1fxo s LEU 8 Ca 0.04 -0.74 0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1fxo s LEU 8 Cb -0.17 -2.52 0.43 0.00 0.50 0.00 0.00 46.19 44.44 1fxo s LEU 8 CO 0.03 -0.85 1.07 0.00 -1.32 0.00 0.00 176.35 175.27 1fxo n ALA 9 N 6.20 4.63 -2.65 5.97 0.00 0.91 -0.58 120.51 134.98 1fxo n ALA 9 Ca -0.05 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.39 1fxo n ALA 9 Cb 0.46 -0.64 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 -0.38 2.83 0.00 0.00 0.00 -1.24 -4.44 105.19 101.97 1fxo n GLY 10 Ca 0.31 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 2.43 3.70 -0.02 0.00 -1.26 -4.92 105.19 110.12 1fxo n GLY 11 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1fxo n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fxo s SER 12 N 0.00 6.88 0.00 1.61 0.15 -1.26 -4.92 113.70 116.16 1fxo s SER 12 Ca 0.00 2.13 0.24 0.00 0.70 0.00 0.00 55.95 59.03 1fxo s SER 12 Cb 0.00 -2.57 0.40 0.00 -1.71 0.00 0.00 66.02 62.14 1fxo s SER 12 CO 0.00 -0.67 1.34 0.61 1.20 0.00 0.00 173.24 175.71 1fxo n GLY 13 N 3.56 -0.88 0.32 9.45 0.00 -1.26 -4.52 105.19 111.86 1fxo n GLY 13 Ca 0.12 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.62 0.20 -0.37 2.61 2.02 -1.96 0.34 112.91 116.37 1fxo h THR 14 Ca 0.00 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1fxo h THR 14 Cb 0.53 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1fxo h THR 14 CO 0.00 0.03 0.04 -0.09 0.37 0.00 0.00 175.52 175.87 1fxo h ARG 15 N 0.15 0.14 -0.14 6.66 2.43 -1.99 -2.72 114.38 118.92 1fxo h ARG 15 Ca 0.63 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 1fxo h ARG 15 Cb 1.39 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1fxo h ARG 15 CO -0.73 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 179.11 1fxo n LEU 16 N -5.14 1.34 -4.77 3.80 4.77 0.10 -4.86 117.00 112.24 1fxo n LEU 16 Ca 0.02 -0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 55.05 1fxo n LEU 16 Cb 0.18 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1fxo n LEU 16 CO 0.22 0.28 0.88 -1.00 -1.33 0.00 0.00 177.39 176.45 1fxo s HIS 17 N -1.83 3.00 -2.36 -1.77 3.76 -1.03 -0.58 115.29 114.49 1fxo s HIS 17 Ca 0.31 1.51 0.28 0.00 -0.15 0.00 0.00 55.06 57.01 1fxo s HIS 17 Cb 0.16 -3.49 1.02 0.00 1.11 0.00 0.00 32.58 31.38 1fxo s HIS 17 CO 0.25 -1.56 1.72 -0.35 -0.85 0.00 0.00 174.74 173.95 1fxo n PRO 18 N 0.16 1.51 -0.34 8.40 -0.04 -1.26 -4.86 135.00 138.56 1fxo n PRO 18 Ca 0.04 -0.86 0.03 0.00 -0.04 0.00 0.00 63.50 62.67 1fxo n PRO 18 Cb 0.45 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.61 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 4.23 1.34 -0.53 0.55 0.00 -1.24 -1.65 119.26 121.96 1fxo h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fxo h ALA 19 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fxo h ALA 19 CO 0.00 0.28 0.00 0.25 0.00 0.00 0.00 179.25 179.78 1fxo n THR 20 N -4.61 2.18 0.03 0.00 -2.24 -0.85 -4.03 114.28 104.77 1fxo n THR 20 Ca 0.15 -1.17 -0.08 0.00 -2.27 0.00 0.00 64.05 60.68 1fxo n THR 20 Cb 0.25 -0.19 0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 3.55 0.52 0.00 3.22 3.38 -1.57 -3.32 115.31 121.10 1fxo h LEU 21 Ca 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1fxo h LEU 21 Cb 1.66 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1fxo h LEU 21 CO 0.37 0.97 -0.28 0.00 0.09 0.00 0.00 178.44 179.58 1fxo h ALA 22 N 1.04 0.05 -4.25 1.53 0.00 -1.74 -3.47 119.26 112.43 1fxo h ALA 22 Ca 0.01 -0.50 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 1fxo h ALA 22 Cb 1.08 0.19 -0.28 0.00 0.00 0.00 0.00 17.79 18.78 1fxo h ALA 22 CO 0.10 0.18 -0.85 0.42 0.00 0.00 0.00 179.25 179.10 1fxo s ILE 23 N -2.07 1.60 0.40 0.00 1.01 -1.25 -5.11 121.20 115.77 1fxo s ILE 23 Ca -0.15 -1.00 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 1fxo s ILE 23 Cb -0.00 -1.36 -0.10 0.00 0.01 0.00 0.00 42.46 41.01 1fxo s ILE 23 CO 0.45 0.34 1.48 -0.55 0.00 0.00 0.00 174.94 176.65 1fxo s SER 24 N -0.78 6.21 0.32 3.58 0.15 -1.26 -4.05 113.70 117.88 1fxo s SER 24 Ca 0.07 3.04 0.10 0.00 0.70 0.00 0.00 55.95 59.86 1fxo s SER 24 Cb -0.08 -2.67 0.92 0.00 -1.71 0.00 0.00 66.02 62.48 1fxo s SER 24 CO 0.00 -0.96 1.69 0.50 1.20 0.00 0.00 173.24 175.68 1fxo h LYS 25 N 2.83 0.42 0.00 5.44 3.64 -1.94 -0.96 116.57 126.00 1fxo h LYS 25 Ca -0.51 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1fxo h LYS 25 Cb 1.25 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1fxo h LYS 25 CO 0.63 0.28 0.00 1.04 -2.27 0.00 0.00 179.45 179.13 1fxo n GLN 26 N -4.99 0.83 0.00 1.90 3.00 -1.26 -1.56 117.38 115.29 1fxo n GLN 26 Ca 0.27 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.36 1fxo n GLN 26 Cb 0.81 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.52 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 -1.06 1.54 -4.77 1.08 4.77 -0.37 -1.51 117.00 116.68 1fxo n LEU 27 Ca 0.21 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 55.13 1fxo n LEU 27 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1fxo n LEU 27 CO 0.18 0.30 0.86 -0.76 -1.33 0.00 0.00 177.39 176.64 1fxo s LEU 28 N -2.40 3.94 0.32 2.23 1.43 -0.60 -4.40 118.68 119.21 1fxo s LEU 28 Ca 0.13 2.39 -0.27 0.00 -1.03 0.00 0.00 54.13 55.35 1fxo s LEU 28 Cb 0.15 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.98 1fxo s LEU 28 CO 0.55 -1.11 1.07 -2.16 0.23 0.00 0.00 176.35 174.92 1fxo s PRO 29 N -2.82 4.47 -0.51 1.29 0.04 -1.26 -0.91 135.00 135.29 1fxo s PRO 29 Ca 0.67 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1fxo s PRO 29 Cb -0.31 -2.93 0.13 0.00 0.04 0.00 0.00 34.50 31.43 1fxo s PRO 29 CO 0.36 0.09 0.42 0.08 0.04 0.00 0.00 177.00 177.99 1fxo s VAL 30 N -1.36 4.61 0.00 -0.36 1.01 -0.13 -4.81 120.40 119.35 1fxo s VAL 30 Ca 0.50 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1fxo s VAL 30 Cb -0.27 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1fxo s VAL 30 CO 0.35 -0.82 0.00 0.00 0.00 0.00 0.00 175.10 174.63 1fxo n TYR 31 N 5.00 0.00 -0.37 5.22 9.36 -1.26 -3.43 117.16 131.68 1fxo n TYR 31 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 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 2.15 0.38 -3.69 2.98 5.75 -1.26 -5.07 116.55 117.78 1fxo n ASP 32 Ca 0.00 -0.82 -0.12 0.00 -0.01 0.00 0.00 54.79 53.85 1fxo n ASP 32 Cb 0.00 0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.12 0.91 0.45 0.11 -2.85 -1.22 -5.09 119.74 111.92 1fxo s LYS 33 Ca 0.00 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.23 1fxo s LYS 33 Cb 0.00 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 1fxo s LYS 33 CO 0.00 -0.31 1.44 -2.30 0.10 0.00 0.00 175.35 174.28 1fxo n PRO 34 N 0.39 2.27 -0.24 1.78 -0.02 -1.26 -0.96 135.00 136.96 1fxo n PRO 34 Ca -0.18 0.81 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 1fxo n PRO 34 Cb 0.60 -2.64 0.16 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.30 0.22 -0.01 -0.52 1.85 -1.08 -0.75 114.93 116.93 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 1.27 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 33.25 1fxo h MET 35 CO 0.61 0.14 0.05 0.97 -0.40 0.00 0.00 176.91 178.29 1fxo h ILE 36 N 0.23 0.11 -0.19 1.77 2.10 -1.46 -1.11 117.51 118.95 1fxo h ILE 36 Ca 0.39 0.00 0.05 0.00 1.08 0.00 0.00 64.86 66.38 1fxo h ILE 36 Cb 0.66 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 1fxo h ILE 36 CO -0.52 0.00 0.14 1.88 -1.08 0.00 0.00 178.15 178.57 1fxo h TYR 37 N 0.00 0.02 0.43 2.19 -1.99 -1.45 -1.69 116.97 114.48 1fxo h TYR 37 Ca 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1fxo h TYR 37 Cb 0.11 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1fxo h TYR 37 CO 0.00 0.01 -0.21 1.88 -0.00 0.00 0.00 178.16 179.84 1fxo h TYR 38 N 0.02 -0.53 0.00 4.88 -1.99 -1.34 -0.04 116.97 117.96 1fxo h TYR 38 Ca 0.09 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 1fxo h TYR 38 Cb 0.34 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1fxo h TYR 38 CO -0.00 -0.33 -0.20 -1.00 -0.00 0.00 0.00 178.16 176.62 1fxo h PRO 39 N -1.15 0.00 -0.35 4.88 0.13 -1.65 -1.83 132.00 132.03 1fxo h PRO 39 Ca -0.06 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1fxo h PRO 39 Cb 0.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1fxo h PRO 39 CO 0.10 0.20 0.22 1.25 -0.23 0.00 0.00 178.00 179.54 1fxo h LEU 40 N 0.00 0.38 -1.42 1.56 5.85 -1.30 -2.05 115.31 118.32 1fxo h LEU 40 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1fxo h LEU 40 Cb 0.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1fxo h LEU 40 CO 0.03 0.27 0.10 0.28 -0.34 0.00 0.00 178.44 178.78 1fxo h SER 41 N 0.45 0.44 -0.28 1.25 0.02 -0.25 -1.36 113.55 113.83 1fxo h SER 41 Ca 0.13 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1fxo h SER 41 Cb -0.03 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1fxo h SER 41 CO -0.04 0.43 0.16 0.74 -1.14 0.00 0.00 176.83 176.98 1fxo h THR 42 N 0.49 1.12 -0.58 -2.27 2.02 -0.80 0.99 112.91 113.88 1fxo h THR 42 Ca 0.12 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1fxo h THR 42 Cb 0.16 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1fxo h THR 42 CO -0.01 0.12 0.30 -0.07 0.37 0.00 0.00 175.52 176.24 1fxo h LEU 43 N 0.34 0.74 -0.63 2.58 3.38 -0.69 -2.28 115.31 118.75 1fxo h LEU 43 Ca 0.10 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1fxo h LEU 43 Cb 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1fxo h LEU 43 CO -0.02 0.63 0.38 0.24 0.09 0.00 0.00 178.44 179.77 1fxo h MET 44 N 0.78 0.71 0.00 1.13 2.86 -0.95 -1.32 114.93 118.15 1fxo h MET 44 Ca 0.20 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1fxo h MET 44 Cb 0.07 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1fxo h MET 44 CO -0.03 0.47 -0.06 -0.07 1.06 0.00 0.00 176.91 178.28 1fxo h LEU 45 N 0.73 0.00 -0.23 1.22 3.38 -0.53 -0.12 115.31 119.77 1fxo h LEU 45 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1fxo h LEU 45 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1fxo h LEU 45 CO -0.12 0.06 -0.02 0.00 0.09 0.00 0.00 178.44 178.45 1fxo n ALA 46 N -2.17 2.66 -0.66 1.53 0.00 -0.59 -4.76 120.51 116.51 1fxo n ALA 46 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1fxo n ALA 46 Cb 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.10 0.61 3.63 0.00 0.00 -0.06 -4.85 105.19 105.63 1fxo n GLY 47 Ca 0.21 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 5.28 -0.08 -0.61 1.01 -0.65 -4.87 121.20 119.28 1fxo s ILE 48 Ca 0.00 0.35 0.13 0.00 0.00 0.00 0.00 60.65 61.12 1fxo s ILE 48 Cb 0.00 -3.59 -0.19 0.00 0.01 0.00 0.00 42.46 38.69 1fxo s ILE 48 CO 0.00 0.26 0.30 0.54 0.00 0.00 0.00 174.94 176.04 1fxo n ARG 49 N 4.79 0.65 -3.87 2.79 1.74 -1.26 -3.80 116.66 117.70 1fxo n ARG 49 Ca -0.12 -0.10 -0.36 0.00 -0.77 0.00 0.00 57.85 56.50 1fxo n ARG 49 Cb 0.52 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.79 2.74 -0.03 5.56 2.12 -1.26 -1.10 118.70 123.93 1fxo s GLU 50 Ca -0.04 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.24 1fxo s GLU 50 Cb 0.08 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.29 1fxo s GLU 50 CO 0.52 -0.51 -0.04 0.42 -0.54 0.00 0.00 175.26 175.10 1fxo s ILE 51 N 1.35 0.46 -0.23 -3.70 1.01 -0.55 -1.06 121.20 118.48 1fxo s ILE 51 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 1fxo s ILE 51 Cb -0.18 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1fxo s ILE 51 CO -0.01 0.18 0.10 -0.22 0.00 0.00 0.00 174.94 174.99 1fxo s LEU 52 N 0.48 3.80 -0.35 2.97 2.96 0.35 -1.36 118.68 127.54 1fxo s LEU 52 Ca -0.06 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 1fxo s LEU 52 Cb -0.09 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 1fxo s LEU 52 CO -0.00 0.06 0.22 -0.63 -1.32 0.00 0.00 176.35 174.67 1fxo s ILE 53 N 1.09 5.01 -0.23 6.68 1.01 0.31 -0.84 121.20 134.23 1fxo s ILE 53 Ca 0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1fxo s ILE 53 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1fxo s ILE 53 CO 0.04 -0.06 0.14 -0.63 0.00 0.00 0.00 174.94 174.44 1fxo s ILE 54 N 1.67 5.31 0.34 2.92 1.01 -0.09 -1.67 121.20 130.69 1fxo s ILE 54 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1fxo s ILE 54 Cb -0.18 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 1fxo s ILE 54 CO 0.09 0.38 0.40 -0.94 0.00 0.00 0.00 174.94 174.86 1fxo s SER 55 N 0.85 1.21 0.89 3.58 1.04 -0.91 -0.06 113.70 120.29 1fxo s SER 55 Ca 0.07 -1.60 -0.11 0.00 0.48 0.00 0.00 55.95 54.79 1fxo s SER 55 Cb -0.13 0.62 0.12 0.00 0.10 0.00 0.00 66.02 66.74 1fxo s SER 55 CO 0.03 -1.21 1.09 0.42 0.98 0.00 0.00 173.24 174.55 1fxo s THR 56 N -3.19 2.71 0.34 2.02 -4.23 -1.26 -0.56 115.64 111.46 1fxo s THR 56 Ca 0.35 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 61.11 1fxo s THR 56 Cb 0.01 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1fxo s THR 56 CO 0.23 -0.30 1.96 -0.65 -0.54 0.00 0.00 174.62 175.32 1fxo h PRO 57 N -1.54 0.86 -0.30 3.99 0.11 -1.89 -0.87 132.00 132.36 1fxo h PRO 57 Ca -0.49 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.40 1fxo h PRO 57 Cb 1.28 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1fxo h PRO 57 CO 0.53 0.57 -0.50 1.96 -0.21 0.00 0.00 178.00 180.35 1fxo h GLN 58 N 0.88 0.86 0.00 1.05 4.20 -1.97 -3.28 115.11 116.86 1fxo h GLN 58 Ca 0.32 -0.53 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1fxo h GLN 58 Cb 0.14 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1fxo h GLN 58 CO -0.10 1.17 -0.36 -0.44 -0.67 0.00 0.00 178.83 178.43 1fxo h ASP 59 N 0.65 0.00 -0.60 1.46 3.32 -1.85 -3.37 116.42 116.02 1fxo h ASP 59 Ca 0.02 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.19 1fxo h ASP 59 Cb 1.11 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 1fxo h ASP 59 CO 0.11 0.15 0.04 0.74 -1.72 0.00 0.00 179.24 178.57 1fxo h THR 60 N 0.00 0.54 0.00 0.35 2.02 -1.23 0.15 112.91 114.75 1fxo h THR 60 Ca -0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1fxo h THR 60 Cb 1.13 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1fxo h THR 60 CO 0.02 0.03 -0.12 -0.65 0.37 0.00 0.00 175.52 175.17 1fxo h PRO 61 N 0.15 0.00 -0.16 6.66 0.11 -1.78 -1.58 132.00 135.41 1fxo h PRO 61 Ca 0.32 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.23 1fxo h PRO 61 Cb 0.50 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.62 1fxo h PRO 61 CO -0.48 0.12 -0.65 0.00 -0.21 0.00 0.00 178.00 176.77 1fxo h ARG 62 N 0.00 0.72 -0.61 1.05 3.08 -1.21 -0.55 114.38 116.85 1fxo h ARG 62 Ca -0.00 -0.57 -0.08 0.00 0.07 0.00 0.00 59.98 59.40 1fxo h ARG 62 Cb 0.27 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1fxo h ARG 62 CO 0.02 1.18 0.06 0.74 -1.07 0.00 0.00 179.97 180.90 1fxo h PHE 63 N 0.42 1.12 -0.60 3.04 -1.00 -0.96 -1.78 116.94 117.18 1fxo h PHE 63 Ca -0.04 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.56 1fxo h PHE 63 Cb 1.28 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.52 1fxo h PHE 63 CO 0.09 0.97 0.30 1.96 -1.61 0.00 0.00 178.31 180.02 1fxo h GLN 64 N 0.94 0.83 -0.38 1.51 4.20 -1.11 -0.19 115.11 120.91 1fxo h GLN 64 Ca 0.18 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1fxo h GLN 64 Cb 0.48 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1fxo h GLN 64 CO 0.02 0.63 -0.27 0.37 -0.67 0.00 0.00 178.83 178.91 1fxo h GLN 65 N 0.83 0.86 -0.16 1.46 4.15 -0.80 -0.36 115.11 121.09 1fxo h GLN 65 Ca 0.21 -0.41 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1fxo h GLN 65 Cb 0.06 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1fxo h GLN 65 CO -0.03 1.06 0.01 1.25 -1.93 0.00 0.00 178.83 179.18 1fxo h LEU 66 N 0.66 0.28 0.00 -2.39 5.85 -0.93 -3.38 115.31 115.40 1fxo h LEU 66 Ca 0.07 -0.30 -0.16 0.00 0.84 0.00 0.00 57.88 58.33 1fxo h LEU 66 Cb 0.85 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1fxo h LEU 66 CO 0.07 0.51 -2.02 0.18 -0.34 0.00 0.00 178.44 176.84 1fxo n LEU 67 N -4.75 0.00 0.00 2.25 4.77 -0.12 -5.09 117.00 114.07 1fxo n LEU 67 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1fxo n LEU 67 Cb 0.21 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1fxo n LEU 67 CO 0.36 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1fxo n GLY 68 N 1.70 1.55 0.73 -0.72 0.00 -0.15 -3.18 105.19 105.12 1fxo n GLY 68 Ca -0.16 -0.53 0.11 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 -1.98 2.20 0.00 1.61 5.68 -1.26 -4.78 116.55 118.01 1fxo n ASP 69 Ca 0.00 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1fxo n ASP 69 Cb 0.00 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 1.24 1.15 0.25 6.12 0.00 -1.19 -0.69 105.19 112.07 1fxo n GLY 70 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.23 0.17 1.61 4.64 -1.85 0.83 113.55 119.18 1fxo h SER 71 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1fxo h SER 71 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1fxo h SER 71 CO 0.00 0.35 -0.00 0.78 -0.87 0.00 0.00 176.83 177.09 1fxo h ASN 72 N 0.24 0.00 -0.28 4.97 2.35 -1.90 -2.09 115.58 118.86 1fxo h ASN 72 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1fxo h ASN 72 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1fxo h ASN 72 CO 0.01 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.59 1fxo n TRP 73 N -3.09 0.51 -1.08 1.19 8.01 0.08 -4.96 117.44 118.10 1fxo n TRP 73 Ca -0.02 -0.60 -0.03 0.00 -1.31 0.00 0.00 57.50 55.54 1fxo n TRP 73 Cb 0.11 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.31 29.30 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 0.12 0.60 3.87 6.99 0.00 -0.79 -4.72 105.19 111.27 1fxo n GLY 74 Ca 0.13 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.64 3.43 -0.42 0.99 1.43 -0.02 -4.97 118.68 118.48 1fxo s LEU 75 Ca 0.00 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1fxo s LEU 75 Cb 0.00 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.25 1fxo s LEU 75 CO 0.00 -0.60 0.17 -0.62 0.23 0.00 0.00 176.35 175.53 1fxo s ASP 76 N -4.11 4.22 -0.16 2.29 2.15 -0.26 -2.93 116.67 117.88 1fxo s ASP 76 Ca 0.47 -2.46 -0.08 0.00 0.43 0.00 0.00 52.55 50.91 1fxo s ASP 76 Cb -0.04 -1.36 -0.04 0.00 -0.30 0.00 0.00 42.92 41.18 1fxo s ASP 76 CO 0.28 -0.31 0.11 -0.76 -0.17 0.00 0.00 175.17 174.31 1fxo s LEU 77 N 0.51 4.12 0.20 -1.34 1.43 0.13 -1.49 118.68 122.24 1fxo s LEU 77 Ca 0.14 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1fxo s LEU 77 Cb -0.22 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1fxo s LEU 77 CO -0.06 0.26 -0.11 -1.10 0.23 0.00 0.00 176.35 175.58 1fxo s GLN 78 N -0.16 1.27 0.03 1.70 -0.21 -0.46 -4.64 119.66 117.19 1fxo s GLN 78 Ca 0.09 -1.58 0.04 0.00 0.02 0.00 0.00 55.36 53.93 1fxo s GLN 78 Cb -0.12 -0.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.95 1fxo s GLN 78 CO 0.01 0.11 -0.11 0.71 -2.12 0.00 0.00 175.29 173.88 1fxo s TYR 79 N -3.13 0.99 0.07 0.91 1.51 -1.26 -0.53 117.35 115.90 1fxo s TYR 79 Ca 0.22 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 1fxo s TYR 79 Cb 0.01 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.28 1fxo s TYR 79 CO 0.06 0.00 0.24 0.00 -1.11 0.00 0.00 175.55 174.74 1fxo s ALA 80 N -0.80 -0.45 -0.09 3.71 0.00 -0.67 -4.94 121.76 118.52 1fxo s ALA 80 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 1fxo s ALA 80 Cb -0.07 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 1fxo s ALA 80 CO 0.01 -0.46 0.22 0.08 0.00 0.00 0.00 175.76 175.61 1fxo s VAL 81 N -3.16 5.36 -0.40 0.00 1.01 -1.26 -2.14 120.40 119.81 1fxo s VAL 81 Ca -0.01 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1fxo s VAL 81 Cb 0.01 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1fxo s VAL 81 CO -0.07 0.58 0.25 -1.58 0.00 0.00 0.00 175.10 174.28 1fxo s GLN 82 N -0.87 2.82 0.29 2.72 0.74 0.27 -4.88 119.66 120.76 1fxo s GLN 82 Ca 0.17 -1.16 0.03 0.00 0.05 0.00 0.00 55.36 54.46 1fxo s GLN 82 Cb -0.13 -3.81 0.62 0.00 1.10 0.00 0.00 33.01 30.79 1fxo s GLN 82 CO 0.06 -0.78 1.82 -1.35 -0.55 0.00 0.00 175.29 174.50 1fxo h PRO 83 N 8.49 0.89 -3.37 1.67 0.11 -1.97 -3.39 132.00 134.43 1fxo h PRO 83 Ca -0.25 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 1fxo h PRO 83 Cb 1.10 -0.20 -0.21 0.00 0.11 0.00 0.00 31.00 31.80 1fxo h PRO 83 CO 0.71 0.59 -0.43 0.45 -0.21 0.00 0.00 178.00 179.10 1fxo s SER 84 N -5.62 -0.05 -1.30 -2.05 0.15 -1.26 -4.84 113.70 98.73 1fxo s SER 84 Ca -0.12 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.30 1fxo s SER 84 Cb 0.23 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1fxo s SER 84 CO 0.81 -0.37 2.21 -0.81 1.20 0.00 0.00 173.24 176.28 1fxo n PRO 85 N 1.53 2.59 -0.83 5.44 -0.04 -1.26 -4.66 135.00 137.77 1fxo n PRO 85 Ca -0.22 -2.37 0.07 0.00 -0.04 0.00 0.00 63.50 60.94 1fxo n PRO 85 Cb 0.56 -3.15 0.38 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 6.19 5.37 0.00 3.54 8.00 -1.26 -4.92 116.55 133.46 1fxo n ASP 86 Ca 0.53 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 53.19 1fxo n ASP 86 Cb 0.38 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 0.61 4.75 0.30 0.44 0.00 -1.26 -0.22 105.19 109.80 1fxo n GLY 87 Ca 0.26 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 0.56 -0.71 0.99 3.38 -1.87 -0.88 115.31 116.78 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 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1fxo h LEU 88 CO 0.00 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1fxo n ALA 89 N -2.47 1.54 0.30 1.53 0.00 -0.66 -1.71 120.51 119.05 1fxo n ALA 89 Ca 0.03 0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.72 1fxo n ALA 89 Cb 0.14 -1.35 0.96 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.98 0.00 4.20 -1.34 -1.87 115.11 115.12 1fxo h GLN 90 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1fxo h GLN 90 Cb 0.28 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 1fxo h GLN 90 CO 0.00 0.01 0.61 0.00 -0.67 0.00 0.00 178.83 178.79 1fxo h ALA 91 N 1.99 1.80 0.00 3.87 0.00 -1.49 -0.60 119.26 124.82 1fxo h ALA 91 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1fxo h ALA 91 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fxo h ALA 91 CO 0.00 -0.13 -0.31 0.74 0.00 0.00 0.00 179.25 179.55 1fxo h PHE 92 N 0.70 0.00 0.01 0.00 -1.00 -1.57 0.15 116.94 115.23 1fxo h PHE 92 Ca 0.54 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.32 1fxo h PHE 92 Cb 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1fxo h PHE 92 CO -0.00 0.31 -0.00 -0.07 -1.61 0.00 0.00 178.31 176.93 1fxo h LEU 93 N 0.00 -0.01 -1.14 1.54 3.38 -1.38 -2.68 115.31 115.03 1fxo h LEU 93 Ca -0.00 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.30 1fxo h LEU 93 Cb 1.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1fxo h LEU 93 CO 0.04 0.84 0.59 0.40 0.09 0.00 0.00 178.44 180.39 1fxo h ILE 94 N -0.99 1.16 -0.42 1.22 2.04 -1.21 -2.56 117.51 116.75 1fxo h ILE 94 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1fxo h ILE 94 Cb 0.70 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1fxo h ILE 94 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.97 1fxo n GLY 95 N -1.40 1.04 0.13 5.37 0.00 0.52 -4.51 105.19 106.34 1fxo n GLY 95 Ca 0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 2.62 -0.05 -0.60 1.61 4.81 -1.09 0.25 114.58 122.13 1fxo h GLU 96 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1fxo h GLU 96 Cb 0.60 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1fxo h GLU 96 CO 0.00 -0.04 0.17 0.66 -0.73 0.00 0.00 179.01 179.08 1fxo h SER 97 N -0.06 0.86 -0.46 1.04 4.64 -1.82 -1.61 113.55 116.13 1fxo h SER 97 Ca 0.09 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1fxo h SER 97 Cb 0.19 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1fxo h SER 97 CO -0.20 0.82 0.15 0.15 -0.87 0.00 0.00 176.83 176.88 1fxo h PHE 98 N 0.89 0.74 -0.50 4.77 3.57 -1.71 -2.98 116.94 121.72 1fxo h PHE 98 Ca 0.20 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1fxo h PHE 98 Cb 0.28 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1fxo h PHE 98 CO 0.02 0.65 -0.12 0.82 -2.23 0.00 0.00 178.31 177.45 1fxo h ILE 99 N 0.61 1.27 0.00 1.41 2.04 -0.77 -3.47 117.51 118.59 1fxo h ILE 99 Ca 0.15 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1fxo h ILE 99 Cb 0.26 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1fxo h ILE 99 CO -0.01 0.44 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1fxo n GLY 100 N -0.22 3.39 2.49 5.37 0.00 -0.62 -2.59 105.19 113.00 1fxo n GLY 100 Ca 0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 3.48 6.31 -4.46 1.61 3.02 -1.26 -4.98 115.26 118.98 1fxo n ASN 101 Ca 0.00 -3.78 -0.24 0.00 -0.03 0.00 0.00 54.58 50.53 1fxo n ASN 101 Cb 0.00 -0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.40 3.54 0.79 6.41 1.01 -1.07 -5.02 116.67 119.93 1fxo s ASP 102 Ca 0.54 -1.03 -0.14 0.00 0.71 0.00 0.00 52.55 52.63 1fxo s ASP 102 Cb 0.44 -0.29 0.07 0.00 1.01 0.00 0.00 42.92 44.14 1fxo s ASP 102 CO -0.18 0.03 1.15 0.18 0.21 0.00 0.00 175.17 176.56 1fxo n LEU 103 N -0.61 4.23 -4.10 1.23 4.77 -1.26 -4.53 117.00 116.73 1fxo n LEU 103 Ca -0.05 0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1fxo n LEU 103 Cb 0.60 -1.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1fxo n LEU 103 CO 0.38 -1.77 -0.03 -0.94 -1.33 0.00 0.00 177.39 173.70 1fxo s SER 104 N -2.01 0.06 -0.08 -1.43 1.04 -0.54 -1.12 113.70 109.63 1fxo s SER 104 Ca 0.73 -1.17 -0.13 0.00 0.48 0.00 0.00 55.95 55.86 1fxo s SER 104 Cb -0.30 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.33 1fxo s SER 104 CO 0.51 -1.00 0.32 0.00 0.98 0.00 0.00 173.24 174.05 1fxo s ALA 105 N -4.06 -0.79 -0.06 5.32 0.00 -0.01 -1.19 121.76 120.97 1fxo s ALA 105 Ca 0.31 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.97 1fxo s ALA 105 Cb 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1fxo s ALA 105 CO 0.11 -0.20 -0.20 -1.17 0.00 0.00 0.00 175.76 174.29 1fxo s LEU 106 N -0.48 1.97 0.05 0.00 2.96 0.73 -0.58 118.68 123.34 1fxo s LEU 106 Ca -0.06 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1fxo s LEU 106 Cb -0.04 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1fxo s LEU 106 CO 0.02 0.17 -0.16 0.54 -1.32 0.00 0.00 176.35 175.60 1fxo s VAL 107 N 0.12 1.23 0.24 1.68 0.11 0.21 -0.69 120.40 123.31 1fxo s VAL 107 Ca -0.09 -1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 57.61 1fxo s VAL 107 Cb -0.14 -1.12 -0.09 0.00 -1.53 0.00 0.00 36.38 33.50 1fxo s VAL 107 CO 0.04 -0.01 0.81 -0.76 -3.33 0.00 0.00 175.10 171.86 1fxo s LEU 108 N -1.30 4.41 0.37 2.54 1.43 -0.52 -1.47 118.68 124.13 1fxo s LEU 108 Ca 0.02 1.62 0.27 0.00 -1.03 0.00 0.00 54.13 55.02 1fxo s LEU 108 Cb -0.08 -3.66 1.18 0.00 0.03 0.00 0.00 46.19 43.65 1fxo s LEU 108 CO 0.02 0.04 1.82 1.23 0.23 0.00 0.00 176.35 179.69 1fxo h GLY 109 N 3.56 0.00 -1.75 -3.19 0.00 -1.19 -2.47 103.07 98.02 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 -2.54 3.69 -4.69 0.19 5.68 -1.26 -4.32 116.55 113.30 1fxo n ASP 110 Ca 0.01 -2.52 -0.37 0.00 -0.50 0.00 0.00 54.79 51.42 1fxo n ASP 110 Cb 0.23 -0.43 -0.08 0.00 -1.14 0.00 0.00 41.12 39.70 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 -1.37 6.28 -0.20 -1.12 0.02 -0.93 -1.69 114.94 115.92 1fxo s ASN 111 Ca 0.36 0.32 0.01 0.00 -1.02 0.00 0.00 52.86 52.54 1fxo s ASN 111 Cb 0.25 -2.15 0.03 0.00 0.02 0.00 0.00 41.25 39.40 1fxo s ASN 111 CO 0.14 0.06 -0.17 -0.22 0.02 0.00 0.00 177.10 176.93 1fxo s LEU 112 N 0.86 2.53 -0.01 0.60 0.20 0.84 -3.84 118.68 119.86 1fxo s LEU 112 Ca 0.12 -0.84 0.04 0.00 0.69 0.00 0.00 54.13 54.14 1fxo s LEU 112 Cb -0.13 -1.51 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 1fxo s LEU 112 CO 0.04 -0.05 -0.10 -0.31 -0.29 0.00 0.00 176.35 175.64 1fxo s TYR 113 N 1.25 2.81 -0.23 5.38 1.51 -1.26 -0.53 117.35 126.27 1fxo s TYR 113 Ca 0.01 -0.08 -0.18 0.00 -1.01 0.00 0.00 57.07 55.81 1fxo s TYR 113 Cb -0.15 -1.60 0.07 0.00 -0.11 0.00 0.00 41.96 40.17 1fxo s TYR 113 CO -0.10 0.32 0.60 -0.47 -1.11 0.00 0.00 175.55 174.79 1fxo s TYR 114 N -0.93 -0.77 0.00 2.71 5.04 0.14 -5.00 117.35 118.54 1fxo s TYR 114 Ca 0.15 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 1fxo s TYR 114 Cb -0.11 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.55 1fxo s TYR 114 CO 0.06 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.29 1fxo n GLY 115 N 3.45 1.08 3.74 8.97 0.00 -1.26 -0.19 105.19 120.97 1fxo n GLY 115 Ca -0.17 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 3.01 -0.43 1.61 2.46 -1.26 -2.37 115.29 116.31 1fxo s HIS 116 Ca 0.00 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.46 1fxo s HIS 116 Cb 0.00 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 1fxo s HIS 116 CO 0.00 -2.87 0.00 -0.25 -2.47 0.00 0.00 174.74 169.15 1fxo n ASP 117 N 2.67 -4.26 -0.23 9.88 8.00 -1.26 -4.90 116.55 126.44 1fxo n ASP 117 Ca 0.08 0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.79 1fxo n ASP 117 Cb 0.40 -2.12 0.39 0.00 -0.02 0.00 0.00 41.12 39.76 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 0.76 -0.57 1.24 3.57 -1.89 -0.70 116.94 119.35 1fxo h PHE 118 Ca -0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1fxo h PHE 118 Cb 0.52 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1fxo h PHE 118 CO 0.28 0.31 0.34 1.12 -2.23 0.00 0.00 178.31 178.13 1fxo h HIS 119 N 0.67 0.74 -0.21 0.41 2.07 -1.89 0.09 115.15 117.02 1fxo h HIS 119 Ca 0.40 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.83 1fxo h HIS 119 Cb 0.61 -0.25 -0.00 0.00 2.57 0.00 0.00 27.41 30.34 1fxo h HIS 119 CO -0.00 0.50 -0.23 0.93 -3.07 0.00 0.00 177.93 176.06 1fxo h GLU 120 N 0.78 0.53 -0.28 5.12 5.08 -1.52 0.10 114.58 124.39 1fxo h GLU 120 Ca 0.21 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1fxo h GLU 120 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1fxo h GLU 120 CO -0.04 0.87 0.18 1.25 -1.00 0.00 0.00 179.01 180.27 1fxo h LEU 121 N 0.21 0.29 -0.35 1.33 5.85 -1.00 -0.15 115.31 121.51 1fxo h LEU 121 Ca 0.03 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1fxo h LEU 121 Cb 0.78 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1fxo h LEU 121 CO 0.06 0.21 0.05 -0.07 -0.34 0.00 0.00 178.44 178.35 1fxo h LEU 122 N 0.36 0.57 -0.87 2.25 3.38 -0.95 -2.98 115.31 117.07 1fxo h LEU 122 Ca 0.11 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1fxo h LEU 122 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1fxo h LEU 122 CO -0.04 0.69 -0.13 1.23 0.09 0.00 0.00 178.44 180.29 1fxo h GLY 123 N 0.42 0.76 1.00 0.83 0.00 -0.52 0.11 103.07 105.67 1fxo h GLY 123 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1fxo h GLY 123 CO 0.01 0.52 0.27 1.76 0.00 0.00 0.00 176.54 179.10 1fxo h SER 124 N 0.64 0.48 -0.36 0.19 0.02 -1.05 0.05 113.55 113.51 1fxo h SER 124 Ca 0.11 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1fxo h SER 124 Cb 0.58 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1fxo h SER 124 CO 0.04 0.35 -0.14 0.00 -1.14 0.00 0.00 176.83 175.94 1fxo h ALA 125 N 1.14 0.51 0.00 3.77 0.00 -1.30 -3.17 119.26 120.22 1fxo h ALA 125 Ca 0.15 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1fxo h ALA 125 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1fxo h ALA 125 CO -0.03 0.41 -0.65 1.03 0.00 0.00 0.00 179.25 180.01 1fxo h SER 126 N 0.53 0.00 0.70 0.00 0.87 -0.64 -2.82 113.55 112.19 1fxo h SER 126 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1fxo h SER 126 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1fxo h SER 126 CO 0.05 0.65 -0.13 0.00 -0.53 0.00 0.00 176.83 176.87 1fxo n GLN 127 N -3.56 0.21 -1.86 2.24 6.02 -0.01 -4.81 117.38 115.62 1fxo n GLN 127 Ca -0.00 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.59 1fxo n GLN 127 Cb 0.69 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.50 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 -2.82 2.81 -0.10 -1.09 0.52 -1.06 -4.96 118.95 112.24 1fxo s ARG 128 Ca 0.19 1.65 0.15 0.00 -0.52 0.00 0.00 55.73 57.20 1fxo s ARG 128 Cb 0.19 -1.93 0.23 0.00 0.52 0.00 0.00 34.95 33.96 1fxo s ARG 128 CO 0.54 -1.29 1.12 1.04 0.02 0.00 0.00 175.30 176.73 1fxo n GLN 129 N -2.02 0.99 -3.66 3.54 6.02 -1.26 -5.04 117.38 115.96 1fxo n GLN 129 Ca 0.12 -2.23 -0.14 0.00 -0.01 0.00 0.00 57.00 54.74 1fxo n GLN 129 Cb 0.51 -1.28 -0.07 0.00 1.02 0.00 0.00 30.24 30.42 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 -2.24 0.04 0.00 5.09 -1.32 -1.26 -4.94 115.64 111.02 1fxo s THR 130 Ca 0.25 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1fxo s THR 130 Cb 0.22 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1fxo s THR 130 CO 0.02 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1fxo n GLY 131 N 0.91 -0.43 3.29 6.08 0.00 -1.26 -4.80 105.19 108.97 1fxo n GLY 131 Ca -0.20 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.36 1.81 -0.05 4.61 0.00 -0.38 -1.14 121.76 125.25 1fxo s ALA 132 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1fxo s ALA 132 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1fxo s ALA 132 CO 0.00 0.29 -0.11 -1.12 0.00 0.00 0.00 175.76 174.81 1fxo s SER 133 N -2.20 1.60 0.22 0.00 0.01 0.34 -0.21 113.70 113.46 1fxo s SER 133 Ca 0.09 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1fxo s SER 133 Cb -0.08 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.50 1fxo s SER 133 CO 0.05 0.06 0.05 0.68 0.41 0.00 0.00 173.24 174.49 1fxo s VAL 134 N 0.43 0.63 -0.05 3.43 -7.23 -0.29 -1.17 120.40 116.14 1fxo s VAL 134 Ca -0.09 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.14 1fxo s VAL 134 Cb -0.13 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1fxo s VAL 134 CO 0.02 -0.22 -0.22 -0.36 -0.31 0.00 0.00 175.10 174.01 1fxo s PHE 135 N -3.70 2.15 -0.18 2.82 0.40 -1.26 -1.08 117.98 117.14 1fxo s PHE 135 Ca 0.32 -0.63 -0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1fxo s PHE 135 Cb 0.07 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 1fxo s PHE 135 CO 0.09 -0.20 0.04 0.00 0.70 0.00 0.00 175.22 175.86 1fxo s ALA 136 N -0.09 3.28 -0.04 5.36 0.00 -0.37 -0.91 121.76 128.99 1fxo s ALA 136 Ca -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1fxo s ALA 136 Cb -0.13 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1fxo s ALA 136 CO 0.03 0.12 -0.08 -0.47 0.00 0.00 0.00 175.76 175.37 1fxo s TYR 137 N 0.48 0.96 0.01 0.00 5.04 -0.19 -0.39 117.35 123.27 1fxo s TYR 137 Ca 0.01 -0.29 -0.30 0.00 -2.44 0.00 0.00 57.07 54.05 1fxo s TYR 137 Cb -0.13 -0.75 -0.07 0.00 0.35 0.00 0.00 41.96 41.36 1fxo s TYR 137 CO 0.01 -0.18 1.62 -1.58 -1.34 0.00 0.00 175.55 174.08 1fxo s HIS 138 N 0.63 2.30 0.18 4.97 5.65 -1.26 -1.37 115.29 126.38 1fxo s HIS 138 Ca -0.10 0.33 0.07 0.00 0.25 0.00 0.00 55.06 55.61 1fxo s HIS 138 Cb -0.13 -3.91 -0.04 0.00 -1.18 0.00 0.00 32.58 27.32 1fxo s HIS 138 CO 0.01 -3.68 -0.14 0.14 -0.65 0.00 0.00 174.74 170.42 1fxo s VAL 139 N 3.16 1.55 0.25 0.89 -7.23 -0.15 -4.96 120.40 113.90 1fxo s VAL 139 Ca 0.72 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1fxo s VAL 139 Cb -0.36 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1fxo s VAL 139 CO 0.31 -0.59 1.58 0.25 -0.31 0.00 0.00 175.10 176.34 1fxo h LEU 140 N 2.80 0.20 -6.24 1.32 5.85 -1.95 -3.40 115.31 113.90 1fxo h LEU 140 Ca -0.38 -0.12 -0.59 0.00 0.84 0.00 0.00 57.88 57.63 1fxo h LEU 140 Cb 1.21 -0.06 -0.41 0.00 0.37 0.00 0.00 40.66 41.77 1fxo h LEU 140 CO 0.60 0.76 -0.74 -0.90 -0.34 0.00 0.00 178.44 177.81 1fxo n ASP 141 N -3.86 2.54 0.29 1.25 5.75 -1.26 -4.93 116.55 116.33 1fxo n ASP 141 Ca -0.02 -3.17 0.17 0.00 -0.01 0.00 0.00 54.79 51.76 1fxo n ASP 141 Cb 0.61 -0.67 0.87 0.00 -1.03 0.00 0.00 41.12 40.91 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 4.32 0.00 0.00 0.11 0.13 -1.87 -2.98 132.00 131.70 1fxo h PRO 142 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1fxo h PRO 142 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1fxo h PRO 142 CO 0.70 0.04 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 1fxo h GLU 143 N 0.00 0.00 -0.00 0.86 9.09 -1.92 -0.75 114.58 121.86 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 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1fxo h GLU 143 CO 0.01 0.00 -0.13 0.54 0.05 0.00 0.00 179.01 179.48 1fxo n ARG 144 N -2.38 0.56 -4.42 1.06 1.74 -1.13 -4.12 116.66 107.97 1fxo n ARG 144 Ca -0.01 -0.19 -0.23 0.00 -0.77 0.00 0.00 57.85 56.66 1fxo n ARG 144 Cb 0.08 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.57 1.74 0.28 -1.55 1.51 -0.29 -4.83 117.35 111.64 1fxo s TYR 145 Ca 0.26 -1.39 -0.29 0.00 -1.01 0.00 0.00 57.07 54.63 1fxo s TYR 145 Cb 0.20 -0.99 -0.10 0.00 -0.11 0.00 0.00 41.96 40.96 1fxo s TYR 145 CO 0.50 -0.48 1.17 0.20 -1.11 0.00 0.00 175.55 175.84 1fxo s GLY 146 N -3.51 2.98 -0.05 0.71 0.00 -1.26 -0.84 107.32 105.36 1fxo s GLY 146 Ca 0.30 1.01 0.06 0.00 0.00 0.00 0.00 44.72 46.09 1fxo s GLY 146 CO 0.18 1.67 -0.23 0.14 0.00 0.00 0.00 173.10 174.86 1fxo s VAL 147 N -0.98 1.89 -0.10 1.40 1.01 0.81 -0.40 120.40 124.02 1fxo s VAL 147 Ca 0.47 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1fxo s VAL 147 Cb -0.34 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1fxo s VAL 147 CO 0.44 0.53 -0.15 0.54 0.00 0.00 0.00 175.10 176.46 1fxo s VAL 148 N -0.21 2.95 -0.13 2.92 0.11 -0.69 -1.63 120.40 123.72 1fxo s VAL 148 Ca -0.01 -0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1fxo s VAL 148 Cb -0.12 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 1fxo s VAL 148 CO 0.02 0.55 0.03 -0.70 -3.33 0.00 0.00 175.10 171.68 1fxo s GLU 149 N -0.01 3.43 0.15 1.54 2.12 -0.45 -4.47 118.70 121.01 1fxo s GLU 149 Ca -0.04 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 55.01 1fxo s GLU 149 Cb -0.14 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1fxo s GLU 149 CO 0.04 0.53 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.16 1fxo s PHE 150 N -0.38 2.73 0.90 5.30 0.40 -1.26 -0.43 117.98 125.24 1fxo s PHE 150 Ca 0.08 -0.17 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 1fxo s PHE 150 Cb -0.12 -1.37 0.17 0.00 0.51 0.00 0.00 43.02 42.21 1fxo s PHE 150 CO 0.02 0.48 1.26 0.16 0.70 0.00 0.00 175.22 177.84 1fxo s ASP 151 N -2.62 3.52 0.63 1.36 1.47 0.09 -4.89 116.67 116.21 1fxo s ASP 151 Ca 0.24 0.29 0.33 0.00 1.18 0.00 0.00 52.55 54.59 1fxo s ASP 151 Cb -0.10 -0.46 1.84 0.00 -0.34 0.00 0.00 42.92 43.86 1fxo s ASP 151 CO 0.16 -2.48 2.11 1.56 0.68 0.00 0.00 175.17 177.20 1fxo h GLN 152 N -1.40 0.00 -0.41 2.11 1.08 -2.01 -1.09 115.11 113.39 1fxo h GLN 152 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1fxo h GLN 152 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1fxo h GLN 152 CO 0.43 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.72 1fxo n GLY 153 N -1.28 1.18 1.73 3.46 0.00 -1.26 -4.93 105.19 104.09 1fxo n GLY 153 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.30 0.53 3.71 -0.02 0.00 -0.41 -5.05 105.19 105.25 1fxo n GLY 154 Ca 0.17 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.75 4.33 0.18 1.61 2.20 -1.26 -4.81 119.74 121.25 1fxo s LYS 155 Ca 0.00 0.49 -0.32 0.00 -0.36 0.00 0.00 55.97 55.78 1fxo s LYS 155 Cb 0.00 -3.46 -0.12 0.00 -1.51 0.00 0.00 37.83 32.75 1fxo s LYS 155 CO 0.00 0.10 1.74 0.00 -0.36 0.00 0.00 175.35 176.83 1fxo n ALA 156 N 3.85 2.57 -0.00 3.13 0.00 -1.26 -0.73 120.51 128.07 1fxo n ALA 156 Ca -0.06 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 1fxo n ALA 156 Cb 0.51 -2.53 -0.00 0.00 0.00 0.00 0.00 19.45 17.44 1fxo n ALA 156 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1fxo n ILE 157 N 4.11 0.00 -3.70 0.00 -5.35 0.43 -4.90 119.36 109.95 1fxo n ILE 157 Ca 0.17 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.53 1fxo n ILE 157 Cb 0.35 -0.29 -0.06 0.00 -1.74 0.00 0.00 39.64 37.90 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 -2.53 -0.20 -0.04 7.28 1.04 -1.16 -5.00 113.70 113.09 1fxo s SER 158 Ca -0.00 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.29 1fxo s SER 158 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1fxo s SER 158 CO 0.00 -0.70 -0.15 -0.76 0.98 0.00 0.00 173.24 172.62 1fxo s LEU 159 N -2.27 1.87 0.00 2.42 1.43 -1.26 -1.35 118.68 119.53 1fxo s LEU 159 Ca -0.03 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1fxo s LEU 159 Cb 0.00 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 1fxo s LEU 159 CO -0.05 0.12 -0.06 -1.61 0.23 0.00 0.00 176.35 174.98 1fxo s GLU 160 N 0.10 0.45 -0.30 1.70 2.02 -0.65 -4.96 118.70 117.05 1fxo s GLU 160 Ca -0.04 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.51 1fxo s GLU 160 Cb -0.11 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 1fxo s GLU 160 CO 0.02 0.11 0.44 -2.00 0.02 0.00 0.00 175.26 173.84 1fxo s GLU 161 N -0.34 3.84 -1.32 1.61 2.56 -1.26 -0.14 118.70 123.65 1fxo s GLU 161 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.97 54.78 1fxo s GLU 161 Cb -0.03 -3.72 0.01 0.00 2.00 0.00 0.00 34.13 32.39 1fxo s GLU 161 CO -0.00 -0.44 0.50 1.63 -0.56 0.00 0.00 175.26 176.39 1fxo n LYS 162 N 5.50 -1.44 -2.16 4.30 5.02 -0.02 -4.88 118.16 124.48 1fxo n LYS 162 Ca -0.07 0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 1fxo n LYS 162 Cb 0.50 -3.66 -0.03 0.00 -0.02 0.00 0.00 35.03 31.83 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 -6.85 4.37 0.43 1.97 0.04 -1.26 -4.92 135.00 128.78 1fxo s PRO 163 Ca 0.26 2.13 0.11 0.00 0.04 0.00 0.00 61.00 63.53 1fxo s PRO 163 Cb -0.12 -3.14 0.93 0.00 0.04 0.00 0.00 34.50 32.21 1fxo s PRO 163 CO 0.93 -0.24 2.02 -0.07 0.04 0.00 0.00 177.00 179.67 1fxo h LEU 164 N 4.68 0.23 -6.94 -3.56 3.38 -1.90 -3.34 115.31 107.87 1fxo h LEU 164 Ca -0.46 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 56.87 1fxo h LEU 164 Cb 1.22 -0.06 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 1fxo h LEU 164 CO 0.74 0.27 -0.68 -1.61 0.09 0.00 0.00 178.44 177.25 1fxo s GLU 165 N -5.02 1.98 0.32 1.13 2.02 -1.26 -5.00 118.70 112.88 1fxo s GLU 165 Ca -0.06 -2.90 -0.29 0.00 0.02 0.00 0.00 54.97 51.75 1fxo s GLU 165 Cb 0.16 -2.88 -0.12 0.00 0.10 0.00 0.00 34.13 31.39 1fxo s GLU 165 CO 0.72 -1.28 1.32 -2.30 0.02 0.00 0.00 175.26 173.73 1fxo n PRO 166 N 2.40 2.14 0.04 0.39 -0.02 -1.25 -4.89 135.00 133.80 1fxo n PRO 166 Ca 0.20 0.75 0.14 0.00 -2.02 0.00 0.00 63.50 62.56 1fxo n PRO 166 Cb 0.37 -2.35 0.53 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.11 -3.87 -0.52 5.02 -1.26 -4.88 118.16 113.58 1fxo n LYS 167 Ca 0.06 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.34 1fxo n LYS 167 Cb 0.35 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 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 -3.65 0.24 -0.21 4.39 1.04 -1.26 -4.92 113.70 109.32 1fxo s SER 168 Ca 0.13 -1.24 0.15 0.00 0.48 0.00 0.00 55.95 55.47 1fxo s SER 168 Cb 0.16 0.81 0.77 0.00 0.10 0.00 0.00 66.02 67.86 1fxo s SER 168 CO 0.56 -1.61 1.69 0.59 0.98 0.00 0.00 173.24 175.45 1fxo n ASN 169 N -1.44 5.38 -4.43 7.02 3.02 -1.26 -4.85 115.26 118.71 1fxo n ASN 169 Ca -0.06 -2.88 -0.43 0.00 -0.03 0.00 0.00 54.58 51.18 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 -2.66 3.25 0.28 3.10 1.51 -1.26 -0.98 117.35 120.58 1fxo s TYR 170 Ca 0.53 -0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 55.69 1fxo s TYR 170 Cb 0.40 -2.66 -0.08 0.00 -0.11 0.00 0.00 41.96 39.50 1fxo s TYR 170 CO 0.16 -0.64 0.68 0.00 -1.11 0.00 0.00 175.55 174.64 1fxo s ALA 171 N 1.64 3.40 -0.12 3.71 0.00 -0.47 -1.70 121.76 128.21 1fxo s ALA 171 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 1fxo s ALA 171 Cb -0.20 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1fxo s ALA 171 CO 0.09 0.38 0.92 0.08 0.00 0.00 0.00 175.76 177.22 1fxo s VAL 172 N -1.85 4.84 0.85 0.00 1.01 0.46 -1.02 120.40 124.70 1fxo s VAL 172 Ca 0.50 1.84 -0.13 0.00 0.00 0.00 0.00 61.98 64.20 1fxo s VAL 172 Cb -0.12 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.15 1fxo s VAL 172 CO 0.19 0.04 1.21 0.42 0.00 0.00 0.00 175.10 176.96 1fxo s THR 173 N 1.93 2.00 -0.23 3.92 -4.23 -0.08 -4.54 115.64 114.40 1fxo s THR 173 Ca 0.44 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1fxo s THR 173 Cb -0.18 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 1fxo s THR 173 CO 0.16 0.00 2.96 0.61 -0.54 0.00 0.00 174.62 177.81 1fxo n GLY 174 N -3.36 3.67 2.78 3.99 0.00 -1.26 -4.75 105.19 106.26 1fxo n GLY 174 Ca 0.10 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.15 0.05 -0.01 0.99 2.96 -1.26 -1.44 118.68 118.81 1fxo s LEU 175 Ca 0.55 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1fxo s LEU 175 Cb 0.32 0.12 0.01 0.00 0.50 0.00 0.00 46.19 47.14 1fxo s LEU 175 CO -0.10 -0.24 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.36 1fxo s TYR 176 N 2.19 0.27 -0.08 5.38 1.51 0.14 -4.34 117.35 122.43 1fxo s TYR 176 Ca 0.03 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1fxo s TYR 176 Cb -0.12 -0.27 -0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1fxo s TYR 176 CO -0.05 -0.06 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.09 1fxo s PHE 177 N 0.39 2.61 0.03 2.71 0.40 -0.32 -0.19 117.98 123.62 1fxo s PHE 177 Ca -0.04 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 1fxo s PHE 177 Cb -0.06 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1fxo s PHE 177 CO -0.01 -0.12 -0.08 0.71 0.70 0.00 0.00 175.22 176.42 1fxo s TYR 178 N -0.15 0.66 0.00 0.36 1.51 -0.33 -0.50 117.35 118.90 1fxo s TYR 178 Ca -0.03 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1fxo s TYR 178 Cb -0.14 -0.40 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 1fxo s TYR 178 CO 0.04 -0.06 0.00 -0.40 -1.11 0.00 0.00 175.55 174.02 1fxo n ASP 179 N 1.83 0.00 -0.18 2.29 5.68 -0.29 -1.47 116.55 124.41 1fxo n ASP 179 Ca -0.20 -0.03 0.05 0.00 -0.50 0.00 0.00 54.79 54.11 1fxo n ASP 179 Cb 0.55 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.78 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 -0.03 1.23 0.10 0.11 6.02 -1.26 -3.51 117.38 120.05 1fxo n GLN 180 Ca 0.00 -0.35 0.12 0.00 -0.01 0.00 0.00 57.00 56.76 1fxo n GLN 180 Cb 0.00 -1.19 0.21 0.00 1.02 0.00 0.00 30.24 30.28 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 0.63 0.00 -0.53 -1.09 4.20 -1.93 -3.40 115.11 112.99 1fxo h GLN 181 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1fxo h GLN 181 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1fxo h GLN 181 CO 0.00 0.00 0.07 -0.24 -0.67 0.00 0.00 178.83 177.99 1fxo h VAL 182 N 0.00 1.25 -0.25 -0.54 3.04 -1.94 -2.33 116.25 115.48 1fxo h VAL 182 Ca 0.00 -0.98 0.03 0.00 -1.01 0.00 0.00 66.70 64.74 1fxo h VAL 182 Cb 0.82 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.93 1fxo h VAL 182 CO 0.00 0.35 0.06 0.58 -1.01 0.00 0.00 177.57 177.56 1fxo h VAL 183 N 0.76 0.90 -0.06 1.51 2.07 -1.87 1.00 116.25 120.57 1fxo h VAL 183 Ca 0.16 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1fxo h VAL 183 Cb 0.43 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1fxo h VAL 183 CO 0.01 0.03 -0.32 0.44 0.02 0.00 0.00 177.57 177.76 1fxo h ASP 184 N 0.17 0.11 -0.34 0.57 3.32 -1.81 -0.14 116.42 118.30 1fxo h ASP 184 Ca 0.11 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1fxo h ASP 184 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1fxo h ASP 184 CO -0.14 0.42 0.09 0.40 -1.72 0.00 0.00 179.24 178.30 1fxo h ILE 185 N 0.09 1.22 -0.43 0.35 2.04 -0.86 -2.75 117.51 117.16 1fxo h ILE 185 Ca 0.01 -0.71 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 1fxo h ILE 185 Cb 0.61 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1fxo h ILE 185 CO 0.04 0.24 -0.18 0.00 0.00 0.00 0.00 178.15 178.26 1fxo h ALA 186 N 0.93 0.87 0.00 1.87 0.00 -0.24 -2.49 119.26 120.20 1fxo h ALA 186 Ca 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1fxo h ALA 186 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1fxo h ALA 186 CO -0.00 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 1fxo h ARG 187 N 0.74 0.00 -0.00 0.00 3.08 -0.92 -1.98 114.38 115.29 1fxo h ARG 187 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1fxo h ARG 187 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1fxo h ARG 187 CO 0.05 0.01 -0.45 -0.25 -1.07 0.00 0.00 179.97 178.26 1fxo n ASP 188 N -4.32 0.58 -4.78 7.04 8.00 -0.96 -4.92 116.55 117.19 1fxo n ASP 188 Ca -0.03 -0.35 -0.34 0.00 0.71 0.00 0.00 54.79 54.78 1fxo n ASP 188 Cb 0.10 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.91 3.69 0.22 0.64 1.43 -0.75 -5.05 118.68 115.95 1fxo s LEU 189 Ca 0.13 2.03 0.12 0.00 -1.03 0.00 0.00 54.13 55.38 1fxo s LEU 189 Cb 0.18 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.79 1fxo s LEU 189 CO 0.66 -1.15 -0.23 -0.54 0.23 0.00 0.00 176.35 175.32 1fxo s LYS 190 N -3.50 1.56 0.53 1.70 -0.14 -1.26 -5.06 119.74 113.57 1fxo s LYS 190 Ca 0.69 -1.59 -0.22 0.00 -1.36 0.00 0.00 55.97 53.49 1fxo s LYS 190 Cb -0.20 -1.83 -0.05 0.00 -1.68 0.00 0.00 37.83 34.07 1fxo s LYS 190 CO 0.29 0.38 1.34 -2.30 -0.76 0.00 0.00 175.35 174.29 1fxo n PRO 191 N 0.03 1.71 -0.87 -1.68 -0.02 -1.26 -4.76 135.00 128.14 1fxo n PRO 191 Ca -0.11 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1fxo n PRO 191 Cb 0.57 -2.54 0.09 0.00 -0.02 0.00 0.00 33.50 31.60 1fxo n PRO 191 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1fxo n SER 192 N -0.84 0.07 0.19 2.55 3.41 0.13 -4.84 113.62 114.30 1fxo n SER 192 Ca 0.10 -1.23 0.03 0.00 -0.26 0.00 0.00 58.87 57.52 1fxo n SER 192 Cb 0.44 -0.44 0.39 0.00 -0.26 0.00 0.00 64.21 64.34 1fxo n SER 192 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1fxo h PRO 193 N 0.00 0.00 0.00 4.33 0.11 -1.96 -1.69 132.00 132.79 1fxo h PRO 193 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1fxo h PRO 193 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1fxo h PRO 193 CO 0.14 0.34 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 1fxo n ARG 194 N -4.09 0.41 -2.27 1.05 1.74 -1.26 -4.89 116.66 107.35 1fxo n ARG 194 Ca -0.02 0.07 -0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1fxo n ARG 194 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.37 0.25 3.24 -0.13 0.00 -0.63 -5.07 105.19 103.22 1fxo n GLY 195 Ca 0.12 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.54 1.02 -0.51 1.61 0.41 -1.26 -4.78 118.70 110.65 1fxo s GLU 196 Ca 0.04 -1.19 -0.21 0.00 -0.41 0.00 0.00 54.97 53.20 1fxo s GLU 196 Cb -0.02 -0.99 0.05 0.00 -1.78 0.00 0.00 34.13 31.39 1fxo s GLU 196 CO 0.05 0.20 0.74 -0.51 -0.49 0.00 0.00 175.26 175.25 1fxo s LEU 197 N -2.27 4.57 -0.05 1.80 1.43 0.69 -0.69 118.68 124.16 1fxo s LEU 197 Ca 0.07 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 1fxo s LEU 197 Cb -0.07 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1fxo s LEU 197 CO 0.03 -0.98 0.48 -1.61 0.23 0.00 0.00 176.35 174.50 1fxo s GLU 198 N 3.12 4.20 0.42 1.70 0.41 -1.26 -1.65 118.70 125.64 1fxo s GLU 198 Ca 0.22 0.50 0.14 0.00 -0.41 0.00 0.00 54.97 55.42 1fxo s GLU 198 Cb -0.16 -3.34 0.90 0.00 -1.78 0.00 0.00 34.13 29.75 1fxo s GLU 198 CO 0.16 0.39 1.92 0.97 -0.49 0.00 0.00 175.26 178.21 1fxo h ILE 199 N 4.23 1.17 -0.73 -1.63 6.09 -1.94 -2.13 117.51 122.57 1fxo h ILE 199 Ca -0.45 -0.90 0.00 0.00 -1.37 0.00 0.00 64.86 62.14 1fxo h ILE 199 Cb 1.20 1.49 -0.04 0.00 0.47 0.00 0.00 36.82 39.94 1fxo h ILE 199 CO 0.70 0.25 0.46 0.74 -3.07 0.00 0.00 178.15 177.23 1fxo h THR 200 N 0.00 1.20 -0.35 2.19 2.02 -1.99 0.33 112.91 116.31 1fxo h THR 200 Ca -0.00 -0.41 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1fxo h THR 200 Cb 0.46 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1fxo h THR 200 CO 0.03 0.20 -0.29 0.44 0.37 0.00 0.00 175.52 176.27 1fxo h ASP 201 N 1.00 0.77 -0.12 4.18 3.32 -1.80 0.54 116.42 124.31 1fxo h ASP 201 Ca 0.27 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1fxo h ASP 201 Cb -0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1fxo h ASP 201 CO -0.05 1.01 0.08 0.58 -1.72 0.00 0.00 179.24 179.13 1fxo h VAL 202 N 0.63 1.05 -0.63 -1.35 2.07 -1.05 -1.76 116.25 115.21 1fxo h VAL 202 Ca 0.07 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1fxo h VAL 202 Cb 0.81 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1fxo h VAL 202 CO 0.07 0.05 0.37 0.78 0.02 0.00 0.00 177.57 178.86 1fxo h ASN 203 N 0.15 0.75 -0.12 0.57 2.35 -0.72 -2.06 115.58 116.50 1fxo h ASN 203 Ca 0.04 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1fxo h ASN 203 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1fxo h ASN 203 CO -0.01 0.59 -0.19 -0.09 -1.65 0.00 0.00 177.43 176.07 1fxo h ARG 204 N 0.87 0.53 -0.35 0.81 2.43 -0.69 -0.38 114.38 117.59 1fxo h ARG 204 Ca 0.23 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1fxo h ARG 204 Cb -0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1fxo h ARG 204 CO -0.04 0.69 0.19 0.00 -1.51 0.00 0.00 179.97 179.31 1fxo h ALA 205 N 1.32 0.44 -0.62 2.80 0.00 -0.62 -0.10 119.26 122.49 1fxo h ALA 205 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1fxo h ALA 205 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1fxo h ALA 205 CO 0.04 -0.16 0.31 1.88 0.00 0.00 0.00 179.25 181.32 1fxo h TYR 206 N 0.40 0.88 -0.88 0.00 -1.99 -1.12 -3.12 116.97 111.14 1fxo h TYR 206 Ca 0.14 -0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.86 1fxo h TYR 206 Cb 0.02 -0.27 -0.05 0.00 2.00 0.00 0.00 36.73 38.43 1fxo h TYR 206 CO -0.08 0.66 0.58 1.25 -0.00 0.00 0.00 178.16 180.56 1fxo h LEU 207 N 0.85 0.98 -1.91 3.88 5.85 -0.34 -0.50 115.31 124.10 1fxo h LEU 207 Ca 0.21 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1fxo h LEU 207 Cb 0.10 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1fxo h LEU 207 CO -0.03 0.69 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.31 1fxo h GLU 208 N 1.15 0.00 -0.29 1.25 5.08 -0.99 -0.67 114.58 120.11 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 -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1fxo h GLU 208 CO -0.09 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1fxo n ARG 209 N -3.86 2.25 -2.17 2.33 1.74 -0.79 -4.94 116.66 111.23 1fxo n ARG 209 Ca -0.02 -1.88 -0.12 0.00 -0.77 0.00 0.00 57.85 55.06 1fxo n ARG 209 Cb 0.22 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.38 -0.03 0.06 -0.13 0.00 -0.26 -4.92 105.19 101.30 1fxo n GLY 210 Ca 0.18 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.14 1.90 -3.71 1.61 6.02 -0.27 -4.97 117.38 115.82 1fxo n GLN 211 Ca -0.14 -2.21 -0.37 0.00 -0.01 0.00 0.00 57.00 54.27 1fxo n GLN 211 Cb 0.59 -1.33 -0.12 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.23 3.64 -0.27 1.08 2.96 -1.21 -1.25 118.68 121.39 1fxo s LEU 212 Ca 0.21 -0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.81 1fxo s LEU 212 Cb 0.18 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1fxo s LEU 212 CO 0.02 -0.05 0.28 -0.55 -1.32 0.00 0.00 176.35 174.73 1fxo s SER 213 N 1.65 6.14 -0.33 3.68 0.15 0.71 -4.91 113.70 120.80 1fxo s SER 213 Ca 0.06 0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 1fxo s SER 213 Cb -0.15 -2.17 0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1fxo s SER 213 CO 0.06 -0.12 0.06 -0.69 1.20 0.00 0.00 173.24 173.75 1fxo s VAL 214 N 1.91 3.35 -0.14 4.45 1.01 -1.26 -1.14 120.40 128.58 1fxo s VAL 214 Ca 0.11 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1fxo s VAL 214 Cb -0.16 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1fxo s VAL 214 CO 0.10 -0.19 0.09 -1.61 0.00 0.00 0.00 175.10 173.50 1fxo s GLU 215 N 1.31 3.63 0.18 2.72 0.41 -0.24 -4.94 118.70 121.77 1fxo s GLU 215 Ca -0.03 -0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 53.98 1fxo s GLU 215 Cb -0.20 -3.16 -0.08 0.00 -1.78 0.00 0.00 34.13 28.91 1fxo s GLU 215 CO 0.00 0.55 1.25 0.42 -0.49 0.00 0.00 175.26 176.99 1fxo s ILE 216 N -0.39 3.46 -0.44 -1.63 -1.09 -1.26 -1.24 121.20 118.61 1fxo s ILE 216 Ca 0.10 1.19 -0.11 0.00 -2.23 0.00 0.00 60.65 59.59 1fxo s ILE 216 Cb -0.12 -3.76 0.08 0.00 -1.58 0.00 0.00 42.46 37.08 1fxo s ILE 216 CO 0.02 0.17 0.31 -0.32 -1.23 0.00 0.00 174.94 173.89 1fxo s MET 217 N -0.00 2.73 1.01 2.79 -2.45 0.47 -4.87 119.30 118.98 1fxo s MET 217 Ca 0.55 -1.44 -0.12 0.00 -1.25 0.00 0.00 55.69 53.44 1fxo s MET 217 Cb -0.34 -3.91 0.20 0.00 1.25 0.00 0.00 34.83 32.03 1fxo s MET 217 CO 0.36 -0.99 1.08 0.20 1.05 0.00 0.00 175.02 176.72 1fxo s GLY 218 N 2.31 1.60 0.44 2.11 0.00 -1.26 -4.48 107.32 108.05 1fxo s GLY 218 Ca 0.03 -0.01 0.30 0.00 0.00 0.00 0.00 44.72 45.05 1fxo s GLY 218 CO 0.03 0.57 1.93 0.07 0.00 0.00 0.00 173.10 175.70 1fxo h ARG 219 N -2.05 0.00 0.00 2.90 0.11 -1.97 -1.30 114.38 112.07 1fxo h ARG 219 Ca -0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.55 1fxo h ARG 219 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1fxo h ARG 219 CO 0.51 0.00 0.00 0.78 0.10 0.00 0.00 179.97 181.36 1fxo h GLY 220 N 0.47 0.00 -2.88 0.08 0.00 -1.98 -3.44 103.07 95.32 1fxo h GLY 220 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1fxo h GLY 220 CO 0.00 0.00 0.05 -0.19 0.00 0.00 0.00 176.54 176.40 1fxo s TYR 221 N -3.40 3.42 -0.24 5.60 1.51 -0.49 -4.71 117.35 119.04 1fxo s TYR 221 Ca 0.05 1.06 -0.10 0.00 -1.01 0.00 0.00 57.07 57.06 1fxo s TYR 221 Cb 0.09 -2.42 -0.05 0.00 -0.11 0.00 0.00 41.96 39.46 1fxo s TYR 221 CO 0.55 0.06 0.16 0.00 -1.11 0.00 0.00 175.55 175.20 1fxo s ALA 222 N -2.10 3.58 -0.26 3.71 0.00 0.73 -4.96 121.76 122.46 1fxo s ALA 222 Ca 0.51 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1fxo s ALA 222 Cb -0.10 -2.32 0.06 0.00 0.00 0.00 0.00 23.12 20.76 1fxo s ALA 222 CO 0.24 -0.23 -0.10 -0.46 0.00 0.00 0.00 175.76 175.21 1fxo s TRP 223 N 1.12 3.16 0.15 0.00 -0.00 -1.26 -0.68 118.94 121.44 1fxo s TRP 223 Ca 0.07 -2.26 0.10 0.00 -0.00 0.00 0.00 56.10 54.00 1fxo s TRP 223 Cb -0.14 -1.90 -0.04 0.00 -0.00 0.00 0.00 33.47 31.40 1fxo s TRP 223 CO 0.05 -0.87 -0.17 -0.51 -0.00 0.00 0.00 176.95 175.45 1fxo s LEU 224 N 1.14 2.71 -0.18 5.86 1.43 0.31 -4.99 118.68 124.96 1fxo s LEU 224 Ca -0.08 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1fxo s LEU 224 Cb -0.20 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1fxo s LEU 224 CO -0.05 0.14 -0.15 -0.62 0.23 0.00 0.00 176.35 175.90 1fxo s ASP 225 N -2.48 3.10 -0.20 2.29 -1.08 -1.26 -0.12 116.67 116.93 1fxo s ASP 225 Ca 0.21 -0.68 0.02 0.00 -0.52 0.00 0.00 52.55 51.57 1fxo s ASP 225 Cb -0.09 -1.33 0.31 0.00 -1.46 0.00 0.00 42.92 40.35 1fxo s ASP 225 CO 0.11 -0.06 1.40 0.35 0.52 0.00 0.00 175.17 177.50 1fxo n THR 226 N 4.68 1.97 1.94 1.71 -2.24 -0.68 -4.55 114.28 117.11 1fxo n THR 226 Ca -0.18 -0.86 0.10 0.00 -2.27 0.00 0.00 64.05 60.84 1fxo n THR 226 Cb 0.49 -0.74 0.58 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.23 -0.97 3.30 3.38 0.00 -1.26 -4.29 105.19 105.11 1fxo n GLY 227 Ca 0.27 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.68 0.10 2.61 -4.23 -1.26 -4.92 115.64 106.63 1fxo s THR 228 Ca 0.29 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.61 1fxo s THR 228 Cb 0.13 -2.42 -0.08 0.00 1.34 0.00 0.00 72.50 71.48 1fxo s THR 228 CO 0.23 -0.21 1.66 0.45 -0.54 0.00 0.00 174.62 176.20 1fxo h HIS 229 N 2.50 0.31 -0.59 3.99 3.86 -1.98 -1.37 115.15 121.87 1fxo h HIS 229 Ca -0.38 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1fxo h HIS 229 Cb 1.23 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 1fxo h HIS 229 CO 0.50 0.33 0.38 -0.44 0.86 0.00 0.00 177.93 179.56 1fxo h ASP 230 N 0.20 0.70 0.02 2.45 3.32 -1.97 -2.38 116.42 118.75 1fxo h ASP 230 Ca 0.07 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1fxo h ASP 230 Cb 0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1fxo h ASP 230 CO -0.01 0.53 -0.35 0.77 -1.72 0.00 0.00 179.24 178.46 1fxo h SER 231 N 0.80 0.48 -0.56 6.45 4.64 -1.83 -1.16 113.55 122.37 1fxo h SER 231 Ca 0.22 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1fxo h SER 231 Cb -0.06 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1fxo h SER 231 CO -0.04 0.79 0.04 0.25 -0.87 0.00 0.00 176.83 177.00 1fxo h LEU 232 N 0.39 0.94 -0.30 5.97 5.85 -1.17 0.00 115.31 126.99 1fxo h LEU 232 Ca 0.04 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1fxo h LEU 232 Cb 0.80 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1fxo h LEU 232 CO 0.06 0.99 0.11 0.25 -0.34 0.00 0.00 178.44 179.51 1fxo h LEU 233 N 0.85 0.43 -0.84 2.25 5.85 -1.00 -0.27 115.31 122.58 1fxo h LEU 233 Ca 0.16 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1fxo h LEU 233 Cb 0.49 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1fxo h LEU 233 CO 0.02 0.51 0.47 -0.33 -0.34 0.00 0.00 178.44 178.77 1fxo h GLU 234 N 0.34 1.17 -0.54 1.25 5.08 -1.09 -1.29 114.58 119.49 1fxo h GLU 234 Ca 0.10 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1fxo h GLU 234 Cb 0.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1fxo h GLU 234 CO -0.01 0.85 0.22 0.00 -1.00 0.00 0.00 179.01 179.08 1fxo h ALA 235 N 1.25 0.71 -0.46 3.43 0.00 -0.67 -0.29 119.26 123.23 1fxo h ALA 235 Ca 0.30 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1fxo h ALA 235 Cb 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1fxo h ALA 235 CO -0.05 0.32 0.17 0.78 0.00 0.00 0.00 179.25 180.47 1fxo h GLY 236 N 0.74 0.61 1.23 0.00 0.00 -0.67 -1.49 103.07 103.49 1fxo h GLY 236 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1fxo h GLY 236 CO -0.02 0.03 0.39 1.46 0.00 0.00 0.00 176.54 178.41 1fxo h GLN 237 N 0.35 1.01 0.15 4.80 4.20 -0.99 -0.59 115.11 124.05 1fxo h GLN 237 Ca 0.22 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1fxo h GLN 237 Cb 0.20 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1fxo h GLN 237 CO -0.21 0.75 -0.07 0.35 -0.67 0.00 0.00 178.83 178.98 1fxo h PHE 238 N 1.02 -0.19 -0.69 2.96 3.57 -0.63 -0.87 116.94 122.11 1fxo h PHE 238 Ca 0.26 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1fxo h PHE 238 Cb 0.04 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1fxo h PHE 238 CO 0.01 0.08 0.45 0.82 -2.23 0.00 0.00 178.31 177.44 1fxo h ILE 239 N -0.44 1.17 -0.59 1.41 1.08 -1.13 -2.48 117.51 116.52 1fxo h ILE 239 Ca -0.02 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 1fxo h ILE 239 Cb 0.35 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1fxo h ILE 239 CO 0.03 0.17 0.27 0.00 -0.69 0.00 0.00 178.15 177.93 1fxo h ALA 240 N 1.26 0.76 -0.31 1.87 0.00 -0.94 0.87 119.26 122.77 1fxo h ALA 240 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1fxo h ALA 240 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1fxo h ALA 240 CO -0.06 0.34 0.18 1.15 0.00 0.00 0.00 179.25 180.86 1fxo h THR 241 N 0.81 1.03 -0.22 0.00 2.02 -0.96 -1.01 112.91 114.58 1fxo h THR 241 Ca 0.20 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1fxo h THR 241 Cb 0.15 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1fxo h THR 241 CO -0.02 0.07 0.03 -0.07 0.37 0.00 0.00 175.52 175.89 1fxo h LEU 242 N 0.37 0.36 -0.60 2.58 3.38 -1.12 -1.87 115.31 118.41 1fxo h LEU 242 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1fxo h LEU 242 Cb -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1fxo h LEU 242 CO -0.06 0.55 0.23 -0.33 0.09 0.00 0.00 178.44 178.92 1fxo h GLU 243 N 0.17 0.91 -0.09 1.13 5.08 -0.61 -0.59 114.58 120.57 1fxo h GLU 243 Ca 0.07 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1fxo h GLU 243 Cb 0.35 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1fxo h GLU 243 CO 0.01 0.78 -0.55 -0.91 -1.00 0.00 0.00 179.01 177.34 1fxo h ASN 244 N 0.84 0.29 -0.19 1.42 2.35 -1.20 0.06 115.58 119.15 1fxo h ASN 244 Ca 0.20 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1fxo h ASN 244 Cb 0.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1fxo h ASN 244 CO -0.02 0.78 -0.45 -0.09 -1.65 0.00 0.00 177.43 176.00 1fxo h ARG 245 N 0.20 0.63 0.00 0.81 9.65 -1.05 -3.37 114.38 121.25 1fxo h ARG 245 Ca 0.00 -0.43 -0.28 0.00 -1.10 0.00 0.00 59.98 58.17 1fxo h ARG 245 Cb 1.02 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.62 1fxo h ARG 245 CO 0.09 1.05 -1.68 1.04 2.80 0.00 0.00 179.97 183.27 1fxo n GLN 246 N -4.21 0.63 -1.38 0.20 6.02 -0.25 -4.95 117.38 113.44 1fxo n GLN 246 Ca -0.06 0.29 -0.09 0.00 -0.01 0.00 0.00 57.00 57.13 1fxo n GLN 246 Cb 0.56 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 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 1.54 0.89 3.38 1.08 0.00 -0.01 -5.02 105.19 107.05 1fxo n GLY 247 Ca -0.16 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.03 2.57 -0.01 0.99 1.43 -1.24 -5.09 118.68 115.30 1fxo s LEU 248 Ca 0.00 -1.03 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1fxo s LEU 248 Cb 0.00 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1fxo s LEU 248 CO 0.00 -0.11 -0.17 -0.54 0.23 0.00 0.00 176.35 175.76 1fxo s LYS 249 N -3.61 2.28 -0.06 1.70 1.02 -1.26 -4.34 119.74 115.47 1fxo s LYS 249 Ca 0.25 -0.84 -0.22 0.00 0.02 0.00 0.00 55.97 55.18 1fxo s LYS 249 Cb -0.02 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1fxo s LYS 249 CO 0.09 0.58 0.62 0.08 -0.92 0.00 0.00 175.35 175.81 1fxo s VAL 250 N -0.80 5.04 -1.09 3.17 1.01 -1.26 -4.45 120.40 122.02 1fxo s VAL 250 Ca 0.13 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1fxo s VAL 250 Cb -0.10 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1fxo s VAL 250 CO 0.02 0.31 0.94 0.00 0.00 0.00 0.00 175.10 176.37 1fxo n ALA 251 N 3.48 -1.27 -2.62 5.51 0.00 -1.26 -4.96 120.51 119.39 1fxo n ALA 251 Ca -0.04 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1fxo n ALA 251 Cb 0.51 -3.89 -0.05 0.00 0.00 0.00 0.00 19.45 16.03 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 0.00 -0.56 0.00 0.11 -1.93 -1.66 132.00 137.07 1fxo h PRO 253 Ca -0.26 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.78 1fxo h PRO 253 Cb 1.08 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1fxo h PRO 253 CO 1.01 0.00 0.05 0.93 -0.21 0.00 0.00 178.00 179.78 1fxo h GLU 254 N 0.00 0.95 -0.01 1.05 3.07 -1.95 -0.29 114.58 117.40 1fxo h GLU 254 Ca 0.02 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1fxo h GLU 254 Cb 0.07 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1fxo h GLU 254 CO -0.00 0.94 0.00 1.49 -1.40 0.00 0.00 179.01 180.04 1fxo h GLU 255 N 0.84 0.02 -0.69 2.33 4.81 -1.75 -2.07 114.58 118.07 1fxo h GLU 255 Ca 0.16 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1fxo h GLU 255 Cb 0.48 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1fxo h GLU 255 CO 0.02 0.28 0.40 0.82 -0.73 0.00 0.00 179.01 179.80 1fxo h ILE 256 N -0.25 1.21 -0.62 2.32 2.04 -1.24 -0.56 117.51 120.40 1fxo h ILE 256 Ca 0.00 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.44 1fxo h ILE 256 Cb 0.27 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1fxo h ILE 256 CO 0.00 0.22 0.31 0.00 0.00 0.00 0.00 178.15 178.68 1fxo h ALA 257 N 1.20 0.82 -0.43 1.87 0.00 -1.02 -0.06 119.26 121.64 1fxo h ALA 257 Ca 0.25 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1fxo h ALA 257 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fxo h ALA 257 CO -0.04 -0.06 -0.28 -0.92 0.00 0.00 0.00 179.25 177.95 1fxo h TYR 258 N 0.56 1.11 0.00 0.00 3.20 -0.84 0.88 116.97 121.88 1fxo h TYR 258 Ca 0.29 -0.30 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1fxo h TYR 258 Cb 0.25 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1fxo h TYR 258 CO -0.11 1.12 -0.34 0.00 -1.64 0.00 0.00 178.16 177.19 1fxo h ARG 259 N 0.78 0.00 -0.02 1.82 3.08 -0.63 -1.86 114.38 117.56 1fxo h ARG 259 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1fxo h ARG 259 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1fxo h ARG 259 CO 0.08 0.34 0.00 1.04 -1.07 0.00 0.00 179.97 180.35 1fxo n GLN 260 N -4.03 1.65 -1.28 0.04 1.13 -0.08 -4.91 117.38 109.89 1fxo n GLN 260 Ca -0.02 -0.94 -0.10 0.00 -1.94 0.00 0.00 57.00 54.01 1fxo n GLN 260 Cb 0.39 -1.48 -0.04 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 0.14 -0.71 0.21 -1.09 5.02 -0.70 -4.90 118.16 116.13 1fxo n LYS 261 Ca 0.19 0.84 0.10 0.00 -2.02 0.00 0.00 58.31 57.41 1fxo n LYS 261 Cb 0.35 -4.76 0.33 0.00 -0.02 0.00 0.00 35.03 30.93 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 -3.80 2.13 6.55 -1.08 -3.44 115.95 116.31 1fxo h TRP 262 Ca -0.20 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.33 1fxo h TRP 262 Cb 0.65 0.00 -0.19 0.00 -0.86 0.00 0.00 29.16 28.77 1fxo h TRP 262 CO 0.28 0.20 -0.73 0.96 -1.05 0.00 0.00 178.44 178.10 1fxo s ILE 263 N -3.39 0.87 0.62 1.49 -4.36 -1.17 -4.36 121.20 110.89 1fxo s ILE 263 Ca 0.03 -1.52 0.06 0.00 -0.26 0.00 0.00 60.65 58.96 1fxo s ILE 263 Cb 0.08 -1.21 0.10 0.00 1.25 0.00 0.00 42.46 42.68 1fxo s ILE 263 CO 0.65 -0.51 0.85 1.51 0.24 0.00 0.00 174.94 177.69 1fxo s ASP 264 N -2.25 4.86 0.23 4.36 1.47 -1.26 -4.46 116.67 119.62 1fxo s ASP 264 Ca 0.02 -0.69 -0.06 0.00 1.18 0.00 0.00 52.55 53.00 1fxo s ASP 264 Cb -0.04 0.19 0.33 0.00 -0.34 0.00 0.00 42.92 43.05 1fxo s ASP 264 CO -0.00 -1.50 1.81 0.00 0.68 0.00 0.00 175.17 176.15 1fxo h ALA 265 N -0.04 1.05 -0.76 2.11 0.00 -1.99 -0.72 119.26 118.91 1fxo h ALA 265 Ca -0.32 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1fxo h ALA 265 Cb 1.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1fxo h ALA 265 CO 0.40 0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.99 1fxo h ALA 266 N 1.41 1.04 -0.18 0.00 0.00 -1.99 -0.57 119.26 118.96 1fxo h ALA 266 Ca 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1fxo h ALA 266 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fxo h ALA 266 CO -0.22 0.66 0.04 1.96 0.00 0.00 0.00 179.25 181.69 1fxo h GLN 267 N 1.12 0.30 -0.44 0.00 4.20 -1.83 -2.15 115.11 116.30 1fxo h GLN 267 Ca 0.25 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1fxo h GLN 267 Cb 0.26 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1fxo h GLN 267 CO -0.01 0.44 0.27 1.25 -0.67 0.00 0.00 178.83 180.10 1fxo h LEU 268 N 0.11 0.43 -0.66 1.46 5.85 -0.92 -1.61 115.31 119.96 1fxo h LEU 268 Ca 0.06 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1fxo h LEU 268 Cb 0.28 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1fxo h LEU 268 CO 0.00 0.31 0.31 -0.08 -0.34 0.00 0.00 178.44 178.64 1fxo h GLU 269 N 0.54 0.52 -0.66 1.25 4.81 -0.97 -0.98 114.58 119.09 1fxo h GLU 269 Ca 0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1fxo h GLU 269 Cb -0.00 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1fxo h GLU 269 CO -0.07 0.35 0.36 -0.22 -0.73 0.00 0.00 179.01 178.69 1fxo h LYS 270 N 0.54 0.91 -0.34 1.92 3.64 -0.83 -2.52 116.57 119.88 1fxo h LYS 270 Ca 0.33 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1fxo h LYS 270 Cb 0.35 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1fxo h LYS 270 CO -0.27 0.66 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.30 1fxo h LEU 271 N 0.92 0.66 -0.92 5.20 3.38 -0.35 -3.15 115.31 121.04 1fxo h LEU 271 Ca 0.23 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1fxo h LEU 271 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1fxo h LEU 271 CO -0.04 0.86 -0.26 0.00 0.09 0.00 0.00 178.44 179.09 1fxo h ALA 272 N 1.19 1.08 -0.34 1.53 0.00 -0.81 -3.36 119.26 118.56 1fxo h ALA 272 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1fxo h ALA 272 Cb 0.67 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1fxo h ALA 272 CO 0.05 0.56 -0.49 0.00 0.00 0.00 0.00 179.25 179.37 1fxo h ALA 273 N 1.29 -0.64 0.00 0.00 0.00 -1.42 -0.65 119.26 117.84 1fxo h ALA 273 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fxo h ALA 273 Cb 0.68 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1fxo h ALA 273 CO 0.05 -0.97 0.00 -0.35 0.00 0.00 0.00 179.25 177.98 1fxo n PRO 274 N -5.41 0.14 -0.21 0.00 -0.04 -1.26 -1.92 135.00 126.31 1fxo n PRO 274 Ca -0.03 0.49 0.09 0.00 -0.04 0.00 0.00 63.50 64.01 1fxo n PRO 274 Cb 0.36 -1.84 0.20 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.12 3.22 0.27 1.53 4.77 -0.35 -4.64 117.00 119.67 1fxo n LEU 275 Ca 0.01 -1.75 0.12 0.00 -0.03 0.00 0.00 56.01 54.36 1fxo n LEU 275 Cb 0.14 -0.28 0.75 0.00 -2.33 0.00 0.00 43.42 41.70 1fxo n LEU 275 CO 0.14 0.76 1.01 0.00 -1.33 0.00 0.00 177.39 177.97 1fxo h ALA 276 N 3.27 1.46 -0.12 -1.18 0.00 -0.60 -1.54 119.26 120.55 1fxo h ALA 276 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fxo h ALA 276 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fxo h ALA 276 CO 0.00 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1fxo n LYS 277 N -3.86 1.31 -4.23 0.00 4.76 -1.26 -4.39 118.16 110.50 1fxo n LYS 277 Ca -0.02 -0.45 -0.14 0.00 -2.87 0.00 0.00 58.31 54.82 1fxo n LYS 277 Cb 0.18 -1.13 -0.09 0.00 -1.84 0.00 0.00 35.03 32.15 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 -0.94 0.64 0.39 4.39 2.20 -0.64 -5.05 114.94 115.93 1fxo s ASN 278 Ca 0.08 -1.51 0.15 0.00 -0.94 0.00 0.00 52.86 50.65 1fxo s ASN 278 Cb 0.05 0.44 0.81 0.00 -2.00 0.00 0.00 41.25 40.54 1fxo s ASN 278 CO 0.05 -0.91 1.85 1.23 -2.94 0.00 0.00 177.10 176.38 1fxo h GLY 279 N 2.46 0.00 1.00 0.45 0.00 -1.87 -1.95 103.07 103.16 1fxo h GLY 279 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 1fxo h GLY 279 CO 0.48 0.00 -0.26 -1.82 0.00 0.00 0.00 176.54 174.94 1fxo h TYR 280 N 0.00 0.90 -0.47 5.60 3.20 -1.96 -0.57 116.97 123.68 1fxo h TYR 280 Ca -0.00 -0.25 -0.14 0.00 3.14 0.00 0.00 58.73 61.48 1fxo h TYR 280 Cb 0.64 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1fxo h TYR 280 CO 0.00 1.01 -0.24 0.78 -1.64 0.00 0.00 178.16 178.07 1fxo h GLY 281 N 0.54 1.07 1.24 1.82 0.00 -1.16 -1.68 103.07 104.90 1fxo h GLY 281 Ca 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 1fxo h GLY 281 CO 0.07 0.88 0.24 1.46 0.00 0.00 0.00 176.54 179.19 1fxo h GLN 282 N 0.84 0.96 -0.20 4.80 4.20 -1.31 -1.77 115.11 122.64 1fxo h GLN 282 Ca 0.10 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1fxo h GLN 282 Cb 0.82 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1fxo h GLN 282 CO 0.07 0.80 0.07 -0.92 -0.67 0.00 0.00 178.83 178.18 1fxo h TYR 283 N 0.94 0.31 -0.98 2.96 3.20 -0.77 -0.96 116.97 121.66 1fxo h TYR 283 Ca 0.22 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1fxo h TYR 283 Cb 0.21 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1fxo h TYR 283 CO 0.02 0.37 0.64 -0.07 -1.64 0.00 0.00 178.16 177.48 1fxo h LEU 284 N 0.15 1.08 -0.63 2.82 3.38 -0.88 -2.11 115.31 119.12 1fxo h LEU 284 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1fxo h LEU 284 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1fxo h LEU 284 CO -0.00 0.74 0.29 0.11 0.09 0.00 0.00 178.44 179.67 1fxo h LYS 285 N 1.25 0.91 -0.57 1.13 1.57 -0.79 -2.53 116.57 117.54 1fxo h LYS 285 Ca 0.39 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1fxo h LYS 285 Cb -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1fxo h LYS 285 CO -0.12 0.73 0.38 -0.09 -0.57 0.00 0.00 179.45 179.78 1fxo h ARG 286 N 0.86 0.54 0.00 3.15 2.43 -0.54 -1.97 114.38 118.85 1fxo h ARG 286 Ca 0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1fxo h ARG 286 Cb 0.13 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1fxo h ARG 286 CO -0.03 0.36 0.00 -0.07 -1.51 0.00 0.00 179.97 178.72 1fxo h LEU 287 N 0.56 0.00 -1.42 3.80 3.38 -0.98 -2.34 115.31 118.31 1fxo h LEU 287 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1fxo h LEU 287 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1fxo h LEU 287 CO -0.07 0.00 -0.08 -0.07 0.09 0.00 0.00 178.44 178.31 1fxo h LEU 288 N 0.00 0.00 0.00 1.67 3.38 -1.44 -3.32 115.31 115.59 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 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1fxo h LEU 288 CO 0.00 0.08 -0.27 0.35 0.09 0.00 0.00 178.44 178.68 1fxo n THR 289 N -3.22 0.00 -3.80 0.22 -2.24 -1.00 -5.03 114.28 99.21 1fxo n THR 289 Ca 0.00 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 1fxo n THR 289 Cb 0.33 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.18 3.72 -0.17 -0.78 2.12 -0.91 -5.07 118.70 116.43 1fxo s GLU 290 Ca 0.00 -0.11 -0.23 0.00 0.36 0.00 0.00 54.97 54.98 1fxo s GLU 290 Cb 0.00 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 1fxo s GLU 290 CO 0.00 0.61 0.73 0.99 -0.54 0.00 0.00 175.26 177.05 1fxo s THR 291 N -0.56 4.96 -0.19 -1.70 2.01 -1.26 -4.83 115.64 114.07 1fxo s THR 291 Ca 0.14 1.42 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 1fxo s THR 291 Cb -0.12 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1fxo s THR 291 CO 0.03 0.09 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.23 1fxo s VAL 292 N 1.87 2.67 -2.39 3.82 1.01 -1.26 -5.21 120.40 120.91 1fxo s VAL 292 Ca 0.34 -0.74 0.29 0.00 0.00 0.00 0.00 61.98 61.87 1fxo s VAL 292 Cb -0.16 -2.16 0.63 0.00 0.00 0.00 0.00 36.38 34.68 1fxo s VAL 292 CO 0.12 0.49 1.85 -1.22 0.00 0.00 0.00 175.10 176.35