#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahr s LYS 2 N 0.00 1.81 -0.23 0.00 1.02 -1.26 -4.89 119.74 116.19 2ahr s LYS 2 Ca 0.00 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.20 2ahr s LYS 2 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2ahr s LYS 2 CO 0.00 -0.42 0.13 0.42 -0.92 0.00 0.00 175.35 174.56 2ahr s ILE 3 N 1.49 5.06 -0.06 2.17 1.01 0.14 0.13 121.20 131.14 2ahr s ILE 3 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 2ahr s ILE 3 Cb -0.16 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2ahr s ILE 3 CO -0.08 0.36 0.10 -0.83 0.00 0.00 0.00 174.94 174.50 2ahr s GLY 4 N 1.04 2.06 -0.21 6.18 0.00 -0.37 -0.92 107.32 115.10 2ahr s GLY 4 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.02 2ahr s GLY 4 CO 0.04 -0.59 -0.12 -0.42 0.00 0.00 0.00 173.10 172.01 2ahr s ILE 5 N -1.11 1.80 -0.37 0.90 1.01 0.29 -0.44 121.20 123.27 2ahr s ILE 5 Ca 0.20 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 2ahr s ILE 5 Cb -0.12 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.52 2ahr s ILE 5 CO 0.10 0.19 0.41 -0.63 0.00 0.00 0.00 174.94 175.01 2ahr s ILE 6 N 1.33 5.12 0.00 2.92 1.01 -0.50 -1.25 121.20 129.83 2ahr s ILE 6 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2ahr s ILE 6 Cb -0.16 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2ahr s ILE 6 CO -0.08 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2ahr n GLY 7 N 5.00 -1.00 2.86 6.18 0.00 -0.10 -0.07 105.19 118.06 2ahr n GLY 7 Ca -0.08 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2ahr n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ahr s VAL 8 N 0.00 1.62 0.00 1.61 1.01 -1.26 -3.51 120.40 119.87 2ahr s VAL 8 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.92 2ahr s VAL 8 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2ahr s VAL 8 CO 0.00 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.02 2ahr n GLY 9 N 4.31 4.21 0.00 4.51 0.00 -1.26 -4.86 105.19 112.11 2ahr n GLY 9 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2ahr n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ahr n LYS 10 N 0.00 0.04 0.00 1.61 4.76 -1.26 -1.44 118.16 121.87 2ahr n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2ahr n LYS 10 Cb 0.00 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 2ahr n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ahr n ALA 12 N -0.60 0.00 -0.11 7.82 0.00 -1.26 -1.82 120.51 124.54 2ahr n ALA 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2ahr n ALA 12 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2ahr n ALA 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ahr h SER 13 N 0.00 0.42 -0.50 0.00 0.02 -1.58 -2.59 113.55 109.32 2ahr h SER 13 Ca 0.00 -0.09 0.08 0.00 -0.84 0.00 0.00 61.79 60.94 2ahr h SER 13 Cb 0.00 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 2ahr h SER 13 CO 0.00 0.39 0.14 0.00 -1.14 0.00 0.00 176.83 176.22 2ahr h ALA 14 N 1.05 0.59 0.00 3.77 0.00 -1.60 -2.47 119.26 120.60 2ahr h ALA 14 Ca 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2ahr h ALA 14 Cb 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ahr h ALA 14 CO -0.02 -0.27 -0.17 -0.84 0.00 0.00 0.00 179.25 177.96 2ahr h ILE 15 N 0.29 0.35 -0.36 0.00 3.07 -1.82 -3.00 117.51 116.04 2ahr h ILE 15 Ca 0.25 -1.13 -0.02 0.00 1.55 0.00 0.00 64.86 65.51 2ahr h ILE 15 Cb 0.30 1.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.70 2ahr h ILE 15 CO -0.29 0.16 0.15 0.40 -1.05 0.00 0.00 178.15 177.52 2ahr h ILE 16 N 0.00 1.14 -0.76 0.16 2.04 -1.03 -0.58 117.51 118.48 2ahr h ILE 16 Ca -0.00 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.55 2ahr h ILE 16 Cb 0.86 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2ahr h ILE 16 CO 0.02 0.16 0.38 0.50 0.00 0.00 0.00 178.15 179.22 2ahr h LYS 17 N 0.51 0.59 0.07 2.37 3.64 -1.49 0.97 116.57 123.21 2ahr h LYS 17 Ca 0.13 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 2ahr h LYS 17 Cb 0.10 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2ahr h LYS 17 CO -0.01 0.39 -1.14 0.78 -2.27 0.00 0.00 179.45 177.19 2ahr h GLY 18 N 0.60 0.66 1.44 5.01 0.00 -1.52 -3.23 103.07 106.03 2ahr h GLY 18 Ca 0.39 -1.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 2ahr h GLY 18 CO -0.31 1.13 0.16 1.41 0.00 0.00 0.00 176.54 178.93 2ahr h LEU 19 N 0.29 0.65 -2.67 3.11 3.38 -0.82 -1.86 115.31 117.39 2ahr h LEU 19 Ca -0.15 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2ahr h LEU 19 Cb 1.80 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 2ahr h LEU 19 CO 0.21 0.62 0.07 0.11 0.09 0.00 0.00 178.44 179.55 2ahr h LYS 20 N 0.70 0.00 -0.01 1.13 1.57 -0.83 -0.59 116.57 118.54 2ahr h LYS 20 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2ahr h LYS 20 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2ahr h LYS 20 CO -0.01 0.00 -0.12 1.04 -0.57 0.00 0.00 179.45 179.79 2ahr n GLN 21 N -3.27 1.42 -2.79 3.15 6.02 -0.70 -4.88 117.38 116.33 2ahr n GLN 21 Ca -0.02 -0.91 -0.26 0.00 -0.01 0.00 0.00 57.00 55.80 2ahr n GLN 21 Cb 0.15 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 29.93 2ahr n GLN 21 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ahr s THR 22 N -2.20 4.81 -0.82 5.09 -4.23 -0.23 -4.99 115.64 113.06 2ahr s THR 22 Ca 0.31 0.01 0.19 0.00 -1.18 0.00 0.00 61.69 61.01 2ahr s THR 22 Cb 0.20 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.40 2ahr s THR 22 CO 0.41 -0.73 1.58 -0.81 -0.54 0.00 0.00 174.62 174.53 2ahr n PRO 23 N -2.18 0.07 -1.41 3.99 -0.04 -1.26 -4.88 135.00 129.30 2ahr n PRO 23 Ca -0.00 0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 2ahr n PRO 23 Cb 0.56 -1.63 0.16 0.00 -0.04 0.00 0.00 33.50 32.55 2ahr n PRO 23 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ahr s HIS 24 N -3.11 2.07 -0.14 0.54 3.76 -1.26 -4.96 115.29 112.19 2ahr s HIS 24 Ca 0.07 0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 55.76 2ahr s HIS 24 Cb 0.10 -3.42 -0.02 0.00 1.11 0.00 0.00 32.58 30.35 2ahr s HIS 24 CO 0.33 -2.74 -0.09 -2.00 -0.85 0.00 0.00 174.74 169.39 2ahr s GLU 25 N -5.26 3.49 -0.16 1.40 2.12 -1.26 -4.97 118.70 114.06 2ahr s GLU 25 Ca 0.66 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 55.36 2ahr s GLU 25 Cb -0.14 -2.75 -0.00 0.00 0.26 0.00 0.00 34.13 31.49 2ahr s GLU 25 CO 0.55 0.20 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.82 2ahr s LEU 26 N 0.41 2.55 -0.02 2.70 1.43 -1.26 0.24 118.68 124.72 2ahr s LEU 26 Ca -0.08 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2ahr s LEU 26 Cb -0.15 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 2ahr s LEU 26 CO 0.04 0.08 -0.22 -0.63 0.23 0.00 0.00 176.35 175.85 2ahr s ILE 27 N 0.85 1.76 0.35 -0.59 1.09 -0.09 -4.09 121.20 120.48 2ahr s ILE 27 Ca -0.04 -0.94 0.08 0.00 -1.10 0.00 0.00 60.65 58.65 2ahr s ILE 27 Cb -0.15 -1.47 -0.05 0.00 -1.06 0.00 0.00 42.46 39.73 2ahr s ILE 27 CO -0.00 0.50 0.08 0.27 -0.10 0.00 0.00 174.94 175.68 2ahr s ILE 28 N -0.43 2.68 -0.22 2.92 -5.25 -0.85 -0.55 121.20 119.51 2ahr s ILE 28 Ca 0.06 -1.85 -0.08 0.00 -0.99 0.00 0.00 60.65 57.79 2ahr s ILE 28 Cb -0.09 -2.89 0.09 0.00 2.95 0.00 0.00 42.46 42.52 2ahr s ILE 28 CO -0.00 -0.16 0.47 -0.55 -1.79 0.00 0.00 174.94 172.91 2ahr s SER 29 N -3.78 -0.47 0.01 4.36 0.15 -0.38 -2.22 113.70 111.37 2ahr s SER 29 Ca 0.37 1.10 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2ahr s SER 29 Cb 0.00 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2ahr s SER 29 CO 0.21 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2ahr n GLY 30 N 5.22 1.83 0.23 9.45 0.00 -1.26 -0.92 105.19 119.73 2ahr n GLY 30 Ca -0.11 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 2ahr n GLY 30 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ahr h SER 31 N 0.00 0.71 -4.65 1.61 4.64 -1.97 -3.44 113.55 110.45 2ahr h SER 31 Ca 0.00 -0.36 -0.32 0.00 -0.47 0.00 0.00 61.79 60.64 2ahr h SER 31 Cb 0.00 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 61.68 2ahr h SER 31 CO 0.00 1.08 -0.75 -0.94 -0.87 0.00 0.00 176.83 175.36 2ahr s SER 32 N -6.90 1.17 0.39 4.97 1.04 -1.26 -5.02 113.70 108.09 2ahr s SER 32 Ca -0.08 -0.59 0.20 0.00 0.48 0.00 0.00 55.95 55.96 2ahr s SER 32 Cb 0.11 0.01 1.18 0.00 0.10 0.00 0.00 66.02 67.42 2ahr s SER 32 CO 0.85 -0.17 1.70 0.25 0.98 0.00 0.00 173.24 176.85 2ahr h LEU 33 N 4.36 0.42 0.15 2.42 5.85 -1.95 0.41 115.31 126.97 2ahr h LEU 33 Ca -0.38 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2ahr h LEU 33 Cb 1.20 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2ahr h LEU 33 CO 0.41 -0.04 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.26 2ahr h GLU 34 N 0.30 -0.29 -0.15 1.25 4.81 -1.98 -2.04 114.58 116.49 2ahr h GLU 34 Ca 0.70 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.89 2ahr h GLU 34 Cb 1.83 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.27 2ahr h GLU 34 CO -0.42 -0.19 -0.15 0.00 -0.73 0.00 0.00 179.01 177.52 2ahr h ARG 35 N -0.30 0.25 -0.76 1.92 2.47 -0.73 -2.40 114.38 114.83 2ahr h ARG 35 Ca -0.00 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2ahr h ARG 35 Cb 0.27 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 2ahr h ARG 35 CO -0.02 0.41 0.49 0.77 0.56 0.00 0.00 179.97 182.17 2ahr h SER 36 N 0.23 0.82 -0.11 7.04 0.02 -0.46 -1.74 113.55 119.35 2ahr h SER 36 Ca 0.05 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2ahr h SER 36 Cb 0.42 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2ahr h SER 36 CO 0.03 0.57 0.01 0.11 -1.14 0.00 0.00 176.83 176.41 2ahr h LYS 37 N 0.97 0.19 -0.79 3.45 1.57 -0.89 -0.75 116.57 120.31 2ahr h LYS 37 Ca 0.30 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 2ahr h LYS 37 Cb -0.03 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 2ahr h LYS 37 CO -0.09 0.40 0.52 0.93 -0.57 0.00 0.00 179.45 180.64 2ahr h GLU 38 N -0.06 0.81 -0.00 3.15 5.08 -1.36 -1.55 114.58 120.65 2ahr h GLU 38 Ca 0.03 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2ahr h GLU 38 Cb 0.31 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ahr h GLU 38 CO 0.00 0.54 -0.29 0.82 -1.00 0.00 0.00 179.01 179.08 2ahr h ILE 39 N 0.83 1.53 -0.91 3.13 2.04 -1.13 -1.19 117.51 121.81 2ahr h ILE 39 Ca 0.35 -1.96 0.15 0.00 1.00 0.00 0.00 64.86 64.39 2ahr h ILE 39 Cb 0.27 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 2ahr h ILE 39 CO -0.12 0.54 0.58 0.00 0.00 0.00 0.00 178.15 179.15 2ahr h ALA 40 N 0.27 1.80 0.42 1.87 0.00 -1.01 0.11 119.26 122.72 2ahr h ALA 40 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ahr h ALA 40 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2ahr h ALA 40 CO 0.06 -0.05 -0.20 1.49 0.00 0.00 0.00 179.25 180.54 2ahr h GLU 41 N 0.72 -0.54 -0.97 0.00 4.81 -1.25 0.13 114.58 117.47 2ahr h GLU 41 Ca 0.46 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.92 2ahr h GLU 41 Cb 0.72 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.12 2ahr h GLU 41 CO -0.22 -0.23 0.57 1.96 -0.73 0.00 0.00 179.01 180.35 2ahr h GLN 42 N -0.95 0.69 -0.00 1.92 4.20 -0.82 -2.91 115.11 117.24 2ahr h GLN 42 Ca -0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2ahr h GLN 42 Cb 0.56 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2ahr h GLN 42 CO 0.09 0.46 -0.83 1.28 -0.67 0.00 0.00 178.83 179.16 2ahr n LEU 43 N -4.81 1.02 -3.60 1.46 4.32 0.33 -4.99 117.00 110.73 2ahr n LEU 43 Ca 0.22 -0.43 -0.20 0.00 -0.02 0.00 0.00 56.01 55.58 2ahr n LEU 43 Cb 0.56 -0.05 0.05 0.00 -1.62 0.00 0.00 43.42 42.36 2ahr n LEU 43 CO 0.20 0.24 -0.02 0.00 -1.22 0.00 0.00 177.39 176.59 2ahr n ALA 44 N -1.31 -2.08 -2.55 -1.18 0.00 0.36 -5.03 120.51 108.71 2ahr n ALA 44 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2ahr n ALA 44 Cb 0.35 -2.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.23 2ahr n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ahr s LEU 45 N -6.49 2.37 0.58 0.00 1.43 -0.56 -5.05 118.68 110.96 2ahr s LEU 45 Ca 0.06 -0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 2ahr s LEU 45 Cb -0.01 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 2ahr s LEU 45 CO 0.79 -0.27 1.35 -2.84 0.23 0.00 0.00 176.35 175.60 2ahr s PRO 46 N -2.54 2.96 0.27 1.29 0.02 -1.26 -4.51 135.00 131.23 2ahr s PRO 46 Ca 0.01 2.20 0.08 0.00 0.02 0.00 0.00 61.00 63.31 2ahr s PRO 46 Cb -0.04 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 2ahr s PRO 46 CO -0.01 -1.32 -0.10 1.52 -0.33 0.00 0.00 177.00 176.77 2ahr s TYR 47 N -1.32 1.99 0.00 6.54 -0.85 -1.26 -2.00 117.35 120.44 2ahr s TYR 47 Ca 0.75 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 2ahr s TYR 47 Cb -0.40 -1.06 0.00 0.00 0.38 0.00 0.00 41.96 40.88 2ahr s TYR 47 CO 0.46 0.38 0.00 0.00 -1.52 0.00 0.00 175.55 174.86 2ahr n ALA 48 N -0.57 0.00 -0.66 9.51 0.00 -0.94 -4.89 120.51 122.96 2ahr n ALA 48 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2ahr n ALA 48 Cb 0.62 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.25 2ahr n ALA 48 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ahr n SER 50 N 0.00 -2.33 -0.13 0.00 3.41 -1.26 -4.85 113.62 108.46 2ahr n SER 50 Ca 0.00 -0.12 -0.08 0.00 -0.26 0.00 0.00 58.87 58.41 2ahr n SER 50 Cb 0.00 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2ahr n SER 50 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2ahr h HIS 51 N -2.10 0.52 -0.38 7.33 3.86 -1.96 -0.76 115.15 121.66 2ahr h HIS 51 Ca -0.54 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.67 2ahr h HIS 51 Cb 1.36 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 2ahr h HIS 51 CO 0.16 0.34 0.21 0.37 0.86 0.00 0.00 177.93 179.87 2ahr h GLN 52 N 0.55 0.53 -0.37 2.45 5.75 -1.98 0.23 115.11 122.27 2ahr h GLN 52 Ca 0.15 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2ahr h GLN 52 Cb -0.05 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.34 2ahr h GLN 52 CO -0.03 0.43 0.06 -0.44 -2.65 0.00 0.00 178.83 176.19 2ahr h ASP 53 N 0.49 -0.02 -0.07 -0.69 3.32 -1.94 0.58 116.42 118.08 2ahr h ASP 53 Ca 0.13 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.29 2ahr h ASP 53 Cb 0.05 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2ahr h ASP 53 CO -0.02 0.02 -0.22 0.25 -1.72 0.00 0.00 179.24 177.55 2ahr h LEU 54 N 0.17 -0.68 -1.25 1.55 5.85 -0.62 -2.25 115.31 118.08 2ahr h LEU 54 Ca 0.18 0.10 0.15 0.00 0.84 0.00 0.00 57.88 59.15 2ahr h LEU 54 Cb 0.21 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2ahr h LEU 54 CO -0.24 -0.28 0.59 0.40 -0.34 0.00 0.00 178.44 178.56 2ahr h ILE 55 N -0.32 0.82 0.00 4.05 2.04 0.04 -1.10 117.51 123.04 2ahr h ILE 55 Ca 0.08 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2ahr h ILE 55 Cb 0.43 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2ahr h ILE 55 CO -0.25 0.13 -0.11 0.44 0.00 0.00 0.00 178.15 178.36 2ahr h ASP 56 N 0.71 0.00 0.07 1.72 3.32 -0.29 -3.23 116.42 118.71 2ahr h ASP 56 Ca 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 2ahr h ASP 56 Cb 0.75 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2ahr h ASP 56 CO -0.22 0.11 -1.95 0.00 -1.72 0.00 0.00 179.24 175.46 2ahr n GLN 57 N -4.00 0.66 -3.93 3.56 6.02 -0.45 -5.03 117.38 114.21 2ahr n GLN 57 Ca -0.02 -0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 56.49 2ahr n GLN 57 Cb 0.20 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 2ahr n GLN 57 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2ahr s VAL 58 N -3.48 5.37 -0.23 5.09 -7.23 -0.99 -4.89 120.40 114.05 2ahr s VAL 58 Ca -0.08 -0.46 0.20 0.00 -1.81 0.00 0.00 61.98 59.83 2ahr s VAL 58 Cb 0.13 -3.65 0.04 0.00 0.56 0.00 0.00 36.38 33.46 2ahr s VAL 58 CO 0.90 0.09 1.16 0.44 -0.31 0.00 0.00 175.10 177.38 2ahr h ASP 59 N 2.87 0.00 -4.05 4.85 3.45 -0.66 -3.47 116.42 119.42 2ahr h ASP 59 Ca -0.46 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.87 2ahr h ASP 59 Cb 1.17 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.70 2ahr h ASP 59 CO 0.74 0.25 -0.31 -0.22 -1.57 0.00 0.00 179.24 178.13 2ahr s LEU 60 N -5.84 0.73 -0.12 1.55 2.96 -1.06 -4.27 118.68 112.63 2ahr s LEU 60 Ca 0.01 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 2ahr s LEU 60 Cb 0.08 1.18 -0.01 0.00 0.50 0.00 0.00 46.19 47.94 2ahr s LEU 60 CO 0.77 -0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.77 2ahr s VAL 61 N -0.07 2.79 -0.17 1.68 1.01 -0.88 -1.24 120.40 123.52 2ahr s VAL 61 Ca -0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2ahr s VAL 61 Cb -0.03 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2ahr s VAL 61 CO 0.01 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 175.01 2ahr s ILE 62 N 0.32 4.11 -0.22 2.22 1.01 0.42 -0.27 121.20 128.80 2ahr s ILE 62 Ca -0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 2ahr s ILE 62 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2ahr s ILE 62 CO 0.06 0.48 0.25 -0.76 0.00 0.00 0.00 174.94 174.97 2ahr s LEU 63 N 0.42 4.15 0.00 2.97 1.43 0.58 -1.41 118.68 126.81 2ahr s LEU 63 Ca -0.02 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2ahr s LEU 63 Cb -0.14 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 43.91 2ahr s LEU 63 CO 0.02 0.03 0.93 0.61 0.23 0.00 0.00 176.35 178.18 2ahr n GLY 64 N 4.02 1.45 3.84 -3.19 0.00 0.90 -4.68 105.19 107.53 2ahr n GLY 64 Ca -0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2ahr n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ahr s ILE 65 N -0.77 4.41 0.51 -0.61 -4.36 -1.23 -4.47 121.20 114.68 2ahr s ILE 65 Ca 0.08 1.08 -0.21 0.00 -0.26 0.00 0.00 60.65 61.34 2ahr s ILE 65 Cb 0.04 -3.67 -0.06 0.00 1.25 0.00 0.00 42.46 40.02 2ahr s ILE 65 CO 0.06 -0.73 1.17 -1.59 0.24 0.00 0.00 174.94 174.09 2ahr s LYS 66 N -4.27 3.49 0.31 0.37 -2.85 -1.26 -4.77 119.74 110.77 2ahr s LYS 66 Ca 0.59 1.75 0.05 0.00 -1.00 0.00 0.00 55.97 57.36 2ahr s LYS 66 Cb -0.11 -2.20 0.69 0.00 -2.06 0.00 0.00 37.83 34.15 2ahr s LYS 66 CO 0.36 -0.77 1.83 -1.00 0.10 0.00 0.00 175.35 175.88 2ahr h PRO 67 N 1.58 0.81 -0.04 1.78 0.13 -1.96 -1.18 132.00 133.12 2ahr h PRO 67 Ca -0.50 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2ahr h PRO 67 Cb 1.26 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ahr h PRO 67 CO 0.58 0.54 0.28 1.96 -0.23 0.00 0.00 178.00 181.13 2ahr h GLN 68 N 0.83 0.00 -0.00 0.86 7.50 -1.94 -1.74 115.11 120.62 2ahr h GLN 68 Ca 0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.65 2ahr h GLN 68 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.21 2ahr h GLN 68 CO -0.27 0.00 -0.94 1.28 -1.50 0.00 0.00 178.83 177.40 2ahr n LEU 69 N -3.02 1.01 -0.23 1.46 4.32 -0.45 -4.61 117.00 115.48 2ahr n LEU 69 Ca -0.01 -0.51 0.01 0.00 -0.02 0.00 0.00 56.01 55.48 2ahr n LEU 69 Cb 0.35 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.24 2ahr n LEU 69 CO 0.16 0.25 0.76 -0.26 -1.22 0.00 0.00 177.39 177.08 2ahr h PHE 70 N 0.11 -0.25 0.74 -1.77 -1.00 -1.36 -2.12 116.94 111.29 2ahr h PHE 70 Ca 0.00 0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 2ahr h PHE 70 Cb 0.49 0.21 0.01 0.00 3.61 0.00 0.00 35.95 40.27 2ahr h PHE 70 CO 0.00 -0.26 -0.36 1.49 -1.61 0.00 0.00 178.31 177.57 2ahr h GLU 71 N 0.03 -0.96 0.00 1.51 4.81 -1.81 -1.39 114.58 116.77 2ahr h GLU 71 Ca 0.34 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2ahr h GLU 71 Cb 0.54 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2ahr h GLU 71 CO -0.66 -0.62 0.00 0.25 -0.73 0.00 0.00 179.01 177.25 2ahr n THR 72 N -5.50 0.46 -0.10 0.32 -2.24 -1.08 -3.10 114.28 103.04 2ahr n THR 72 Ca -0.14 0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2ahr n THR 72 Cb 0.40 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 2ahr n THR 72 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ahr n VAL 73 N -1.34 1.15 0.01 2.28 0.31 -0.82 -4.82 118.33 115.10 2ahr n VAL 73 Ca 0.08 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.86 2ahr n VAL 73 Cb 0.18 -1.28 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 2ahr n VAL 73 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ahr h LEU 74 N -0.10 0.17 -0.60 7.52 3.38 -1.28 -3.40 115.31 121.02 2ahr h LEU 74 Ca -0.46 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 2ahr h LEU 74 Cb 1.67 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.33 2ahr h LEU 74 CO -0.10 1.29 0.34 0.11 0.09 0.00 0.00 178.44 180.16 2ahr h LYS 75 N 0.03 0.83 0.00 1.13 1.57 -1.65 -2.22 116.57 116.26 2ahr h LYS 75 Ca -0.29 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2ahr h LYS 75 Cb 2.00 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 34.15 2ahr h LYS 75 CO 0.10 0.62 -0.00 -1.35 -0.57 0.00 0.00 179.45 178.25 2ahr h PRO 76 N 0.81 0.00 -7.02 3.15 0.11 -1.84 -3.45 132.00 123.75 2ahr h PRO 76 Ca 0.21 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.85 2ahr h PRO 76 Cb 0.03 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.19 2ahr h PRO 76 CO -0.04 0.00 0.11 -0.51 -0.21 0.00 0.00 178.00 177.36 2ahr s LEU 77 N -6.30 3.30 -0.36 2.35 1.43 -0.84 -5.08 118.68 113.19 2ahr s LEU 77 Ca -0.04 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2ahr s LEU 77 Cb 0.13 -3.40 0.11 0.00 0.03 0.00 0.00 46.19 43.06 2ahr s LEU 77 CO 0.44 -1.02 0.13 -1.00 0.23 0.00 0.00 176.35 175.13 2ahr s HIS 78 N -2.90 2.38 0.34 0.29 3.76 -1.26 -5.04 115.29 112.86 2ahr s HIS 78 Ca 0.53 -2.30 -0.20 0.00 -0.15 0.00 0.00 55.06 52.94 2ahr s HIS 78 Cb -0.10 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.36 2ahr s HIS 78 CO 0.43 -0.87 0.85 -0.06 -0.85 0.00 0.00 174.74 174.25 2ahr s PHE 79 N 1.03 3.47 -0.01 1.40 0.08 -1.26 -4.94 117.98 117.75 2ahr s PHE 79 Ca 0.12 1.50 0.01 0.00 0.12 0.00 0.00 56.93 58.68 2ahr s PHE 79 Cb -0.20 -2.74 0.02 0.00 -0.57 0.00 0.00 43.02 39.53 2ahr s PHE 79 CO -0.13 0.09 0.75 1.63 -0.10 0.00 0.00 175.22 177.46 2ahr n LYS 80 N -0.08 0.37 -3.71 0.44 5.02 -1.26 -5.07 118.16 113.87 2ahr n LYS 80 Ca 0.03 -0.89 -0.09 0.00 -2.02 0.00 0.00 58.31 55.35 2ahr n LYS 80 Cb 0.52 -0.61 -0.02 0.00 -0.02 0.00 0.00 35.03 34.90 2ahr n LYS 80 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2ahr s GLN 81 N -0.27 1.56 0.61 1.97 0.00 -1.26 -5.08 119.66 117.19 2ahr s GLN 81 Ca 0.02 -0.82 -0.19 0.00 -0.00 0.00 0.00 55.36 54.38 2ahr s GLN 81 Cb 0.02 0.59 -0.03 0.00 0.00 0.00 0.00 33.01 33.58 2ahr s GLN 81 CO 0.00 -0.70 1.16 -2.30 0.00 0.00 0.00 175.29 173.45 2ahr n PRO 82 N -0.41 1.09 -4.82 9.60 -0.02 -1.26 -4.81 135.00 134.37 2ahr n PRO 82 Ca -0.09 0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 61.56 2ahr n PRO 82 Cb 0.61 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.56 2ahr n PRO 82 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ahr s ILE 83 N -1.43 1.40 -0.23 4.25 1.01 -0.97 -2.06 121.20 123.16 2ahr s ILE 83 Ca 0.78 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 2ahr s ILE 83 Cb -0.40 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2ahr s ILE 83 CO 0.44 0.40 0.02 -0.63 0.00 0.00 0.00 174.94 175.18 2ahr s ILE 84 N -0.10 4.00 0.14 2.92 1.01 0.63 -0.56 121.20 129.24 2ahr s ILE 84 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2ahr s ILE 84 Cb -0.10 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.55 2ahr s ILE 84 CO 0.01 0.39 0.18 -0.24 0.00 0.00 0.00 174.94 175.28 2ahr n SER 85 N 4.69 0.60 0.00 3.58 2.88 -0.29 -0.31 113.62 124.77 2ahr n SER 85 Ca -0.17 -1.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 2ahr n SER 85 Cb 0.51 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2ahr n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ahr n ALA 87 N -2.83 -1.37 -1.86 -1.46 0.00 -1.26 -0.89 120.51 110.83 2ahr n ALA 87 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 2ahr n ALA 87 Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 2ahr n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ahr s ALA 88 N -1.34 3.48 0.00 0.00 0.00 -1.26 -4.04 121.76 118.61 2ahr s ALA 88 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2ahr s ALA 88 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2ahr s ALA 88 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2ahr n GLY 89 N 1.49 0.44 3.28 0.00 0.00 -1.26 -4.77 105.19 104.36 2ahr n GLY 89 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2ahr n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ahr s ILE 90 N -2.09 3.56 0.72 -0.61 1.01 -1.26 -4.79 121.20 117.75 2ahr s ILE 90 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2ahr s ILE 90 Cb 0.00 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2ahr s ILE 90 CO 0.00 0.07 1.07 -0.94 0.00 0.00 0.00 174.94 175.14 2ahr s SER 91 N 1.42 5.06 0.43 3.58 1.04 -1.26 -4.85 113.70 119.13 2ahr s SER 91 Ca 0.01 1.71 0.17 0.00 0.48 0.00 0.00 55.95 58.31 2ahr s SER 91 Cb -0.17 -2.51 0.99 0.00 0.10 0.00 0.00 66.02 64.43 2ahr s SER 91 CO 0.00 -1.66 1.94 -0.07 0.98 0.00 0.00 173.24 174.44 2ahr h LEU 92 N -0.83 0.00 0.05 2.42 3.38 -1.97 -0.10 115.31 118.25 2ahr h LEU 92 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2ahr h LEU 92 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2ahr h LEU 92 CO 0.55 0.24 -0.02 -0.61 0.09 0.00 0.00 178.44 178.68 2ahr h GLN 93 N 0.00 -0.07 -0.66 1.13 4.15 -2.00 -2.40 115.11 115.27 2ahr h GLN 93 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2ahr h GLN 93 Cb 0.46 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2ahr h GLN 93 CO 0.03 0.29 0.40 -0.09 -1.93 0.00 0.00 178.83 177.54 2ahr h ARG 94 N -0.43 0.88 -0.49 1.69 2.43 -1.87 -2.39 114.38 114.19 2ahr h ARG 94 Ca -0.01 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2ahr h ARG 94 Cb 0.39 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2ahr h ARG 94 CO 0.01 0.61 -0.13 1.25 -1.51 0.00 0.00 179.97 180.20 2ahr h LEU 95 N 0.90 0.93 -1.54 3.80 5.85 -0.99 -2.74 115.31 121.52 2ahr h LEU 95 Ca 0.24 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2ahr h LEU 95 Cb -0.05 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2ahr h LEU 95 CO -0.05 1.06 0.39 0.00 -0.34 0.00 0.00 178.44 179.51 2ahr h ALA 96 N 1.02 1.82 0.00 1.25 0.00 -0.91 -0.26 119.26 122.18 2ahr h ALA 96 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ahr h ALA 96 Cb 0.67 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ahr h ALA 96 CO 0.05 0.08 0.00 1.79 0.00 0.00 0.00 179.25 181.17 2ahr h THR 97 N 0.57 0.00 0.00 0.00 1.35 -1.29 0.47 112.91 114.01 2ahr h THR 97 Ca 0.25 -0.68 -0.25 0.00 -0.55 0.00 0.00 66.41 65.18 2ahr h THR 97 Cb 0.28 1.67 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 2ahr h THR 97 CO -0.07 0.00 -1.39 -0.26 -0.25 0.00 0.00 175.52 173.54 2ahr h PHE 98 N 0.00 0.00 0.00 4.73 0.04 -0.99 -3.43 116.94 117.29 2ahr h PHE 98 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ahr h PHE 98 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2ahr h PHE 98 CO 0.00 0.97 -1.01 1.33 -0.60 0.00 0.00 178.31 179.01 2ahr n VAL 99 N -3.16 0.00 0.00 -0.55 0.24 -0.59 -3.88 118.33 110.39 2ahr n VAL 99 Ca -0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2ahr n VAL 99 Cb 0.99 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2ahr n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ahr n GLY 100 N 2.74 4.51 0.61 7.63 0.00 0.16 -4.62 105.19 116.23 2ahr n GLY 100 Ca -0.00 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.85 2ahr n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ahr n GLN 101 N -1.84 1.83 -0.14 1.61 1.13 -1.25 -4.07 117.38 114.65 2ahr n GLN 101 Ca 0.00 -1.21 0.09 0.00 -1.94 0.00 0.00 57.00 53.94 2ahr n GLN 101 Cb 0.00 -1.46 0.16 0.00 0.11 0.00 0.00 30.24 29.05 2ahr n GLN 101 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ahr n ASP 102 N 0.46 2.97 -4.63 1.08 5.75 -1.26 -4.98 116.55 115.93 2ahr n ASP 102 Ca 0.18 -1.87 -0.35 0.00 -0.01 0.00 0.00 54.79 52.74 2ahr n ASP 102 Cb 0.40 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 2ahr n ASP 102 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ahr s LEU 103 N -1.24 3.58 0.15 -2.12 1.43 -1.26 -5.08 118.68 114.15 2ahr s LEU 103 Ca 0.29 0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 2ahr s LEU 103 Cb 0.17 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.44 2ahr s LEU 103 CO 0.24 0.29 1.56 -2.84 0.23 0.00 0.00 176.35 175.82 2ahr s PRO 104 N -0.32 4.22 -0.04 1.29 0.02 -1.26 -4.85 135.00 134.06 2ahr s PRO 104 Ca 0.07 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.46 2ahr s PRO 104 Cb -0.12 -3.21 -0.00 0.00 0.02 0.00 0.00 34.50 31.19 2ahr s PRO 104 CO 0.02 -0.60 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.43 2ahr s LEU 105 N 1.30 1.88 0.12 -5.54 1.43 -1.26 -2.30 118.68 114.31 2ahr s LEU 105 Ca 0.70 -0.30 0.09 0.00 -1.03 0.00 0.00 54.13 53.59 2ahr s LEU 105 Cb -0.43 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2ahr s LEU 105 CO 0.31 0.13 -0.22 -0.76 0.23 0.00 0.00 176.35 176.04 2ahr s LEU 106 N 0.06 2.33 -0.08 1.79 1.02 0.28 -0.76 118.68 123.31 2ahr s LEU 106 Ca -0.03 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.43 2ahr s LEU 106 Cb -0.10 -0.95 -0.01 0.00 0.02 0.00 0.00 46.19 45.14 2ahr s LEU 106 CO 0.01 0.07 -0.20 -0.13 0.02 0.00 0.00 176.35 176.13 2ahr s ARG 107 N -2.07 2.82 0.00 1.70 0.52 0.60 -1.14 118.95 121.37 2ahr s ARG 107 Ca 0.10 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2ahr s ARG 107 Cb -0.09 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.04 2ahr s ARG 107 CO 0.05 0.36 0.00 0.44 0.02 0.00 0.00 175.30 176.17 2ahr n ILE 108 N 3.05 0.00 0.00 1.52 -5.35 -0.07 -1.23 119.36 117.28 2ahr n ILE 108 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2ahr n ILE 108 Cb 0.52 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 2ahr n ILE 108 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2ahr n PRO 110 N 0.00 -3.05 0.00 6.28 -0.04 -1.26 -4.43 135.00 132.50 2ahr n PRO 110 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ahr n PRO 110 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ahr n PRO 110 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ahr n ASN 111 N 0.00 0.00 0.00 3.54 0.23 -1.26 -4.43 115.26 113.34 2ahr n ASN 111 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2ahr n ASN 111 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2ahr n ASN 111 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ahr n ASN 113 N 0.00 0.00 0.18 0.53 5.03 -1.26 -4.67 115.26 115.07 2ahr n ASN 113 Ca 0.00 0.00 0.17 0.00 0.87 0.00 0.00 54.58 55.62 2ahr n ASN 113 Cb 0.00 -0.63 0.79 0.00 -1.02 0.00 0.00 39.78 38.92 2ahr n ASN 113 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ahr h ALA 114 N 0.00 1.93 -0.14 5.41 0.00 -1.83 0.98 119.26 125.61 2ahr h ALA 114 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ahr h ALA 114 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ahr h ALA 114 CO 0.00 -0.34 0.13 1.96 0.00 0.00 0.00 179.25 181.00 2ahr h GLN 115 N 0.00 0.00 -0.06 0.00 4.20 -1.83 0.21 115.11 117.63 2ahr h GLN 115 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2ahr h GLN 115 Cb 0.55 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2ahr h GLN 115 CO -0.00 0.00 -0.00 0.44 -0.67 0.00 0.00 178.83 178.60 2ahr n ILE 116 N -4.06 1.99 -3.27 2.54 -5.35 -0.74 -4.97 119.36 105.50 2ahr n ILE 116 Ca 0.01 -2.19 -0.22 0.00 -0.27 0.00 0.00 62.75 60.08 2ahr n ILE 116 Cb 0.25 -0.24 0.06 0.00 -1.74 0.00 0.00 39.64 37.96 2ahr n ILE 116 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2ahr n LEU 117 N -1.22 -3.00 -1.60 7.28 4.77 0.06 -4.92 117.00 118.36 2ahr n LEU 117 Ca 0.17 -0.40 0.02 0.00 -0.03 0.00 0.00 56.01 55.78 2ahr n LEU 117 Cb 0.70 -2.85 0.06 0.00 -2.33 0.00 0.00 43.42 39.00 2ahr n LEU 117 CO 0.04 0.44 0.10 0.00 -1.33 0.00 0.00 177.39 176.64 2ahr n GLN 118 N -4.31 0.74 -1.66 3.23 6.02 0.26 -3.16 117.38 118.50 2ahr n GLN 118 Ca -0.04 -2.58 -0.37 0.00 -0.01 0.00 0.00 57.00 53.99 2ahr n GLN 118 Cb 0.58 -0.66 0.06 0.00 1.02 0.00 0.00 30.24 31.24 2ahr n GLN 118 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ahr n SER 119 N -0.02 1.28 -4.18 1.08 2.88 -0.62 -4.66 113.62 109.38 2ahr n SER 119 Ca 0.10 0.81 -0.38 0.00 -1.33 0.00 0.00 58.87 58.07 2ahr n SER 119 Cb 1.00 -1.46 -0.11 0.00 -0.75 0.00 0.00 64.21 62.90 2ahr n SER 119 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ahr s SER 120 N -1.32 5.42 -0.19 -3.46 0.01 -1.26 -0.96 113.70 111.94 2ahr s SER 120 Ca 0.79 -1.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 2ahr s SER 120 Cb -0.40 -1.90 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2ahr s SER 120 CO 0.44 -0.56 -0.08 -0.89 0.41 0.00 0.00 173.24 172.56 2ahr s THR 121 N 1.27 3.22 0.31 1.44 2.01 -0.67 -4.42 115.64 118.80 2ahr s THR 121 Ca 0.05 -0.56 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 2ahr s THR 121 Cb -0.24 -2.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.75 2ahr s THR 121 CO -0.02 0.46 0.96 0.00 -0.69 0.00 0.00 174.62 175.33 2ahr s ALA 122 N 1.14 3.23 -0.04 7.40 0.00 -1.26 0.55 121.76 132.78 2ahr s ALA 122 Ca 0.01 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2ahr s ALA 122 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2ahr s ALA 122 CO -0.02 0.14 -0.02 -1.17 0.00 0.00 0.00 175.76 174.68 2ahr s LEU 123 N -1.91 1.24 0.07 0.00 2.96 -0.03 -4.17 118.68 116.85 2ahr s LEU 123 Ca 0.49 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 2ahr s LEU 123 Cb -0.21 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.13 2ahr s LEU 123 CO 0.26 -0.08 0.22 0.28 -1.32 0.00 0.00 176.35 175.71 2ahr s THR 124 N 0.99 0.12 0.04 3.68 -1.32 -0.37 -3.21 115.64 115.57 2ahr s THR 124 Ca -0.10 -1.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 2ahr s THR 124 Cb -0.14 -1.17 -0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2ahr s THR 124 CO -0.01 -0.55 -0.05 -0.83 -2.21 0.00 0.00 174.62 170.97 2ahr s GLY 125 N -2.56 0.39 0.98 6.08 0.00 -1.26 -0.30 107.32 110.66 2ahr s GLY 125 Ca 0.01 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 2ahr s GLY 125 CO -0.08 -0.83 0.99 1.16 0.00 0.00 0.00 173.10 174.34 2ahr n ASN 126 N 1.31 -1.34 0.29 1.64 0.23 0.06 -4.87 115.26 112.58 2ahr n ASN 126 Ca -0.22 -1.17 0.16 0.00 -0.53 0.00 0.00 54.58 52.82 2ahr n ASN 126 Cb 0.56 -0.86 0.90 0.00 -2.08 0.00 0.00 39.78 38.30 2ahr n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ahr h ALA 127 N -2.39 1.32 0.00 -2.53 0.00 -1.96 -1.86 119.26 111.83 2ahr h ALA 127 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ahr h ALA 127 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ahr h ALA 127 CO 0.24 0.05 -0.19 1.28 0.00 0.00 0.00 179.25 180.63 2ahr n LEU 128 N -3.59 0.77 -4.64 0.00 4.77 -1.26 -4.81 117.00 108.24 2ahr n LEU 128 Ca -0.02 0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 2ahr n LEU 128 Cb 0.15 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2ahr n LEU 128 CO 0.27 -0.14 1.23 -0.69 -1.33 0.00 0.00 177.39 176.73 2ahr s VAL 129 N -3.12 3.96 0.42 4.08 1.01 -0.70 -4.66 120.40 121.39 2ahr s VAL 129 Ca 0.09 1.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 2ahr s VAL 129 Cb 0.13 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2ahr s VAL 129 CO 0.63 -0.30 1.26 -0.94 0.00 0.00 0.00 175.10 175.75 2ahr s SER 130 N 3.20 6.30 0.58 3.32 1.04 -1.26 -4.89 113.70 121.98 2ahr s SER 130 Ca 0.63 2.55 0.29 0.00 0.48 0.00 0.00 55.95 59.90 2ahr s SER 130 Cb -0.22 -2.63 1.47 0.00 0.10 0.00 0.00 66.02 64.74 2ahr s SER 130 CO 0.24 -0.85 1.90 -0.61 0.98 0.00 0.00 173.24 174.90 2ahr h GLN 131 N 2.55 0.00 0.00 4.02 -0.00 -1.99 0.14 115.11 119.84 2ahr h GLN 131 Ca -0.49 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 57.95 2ahr h GLN 131 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.69 2ahr h GLN 131 CO 0.62 0.00 -1.24 1.05 0.00 0.00 0.00 178.83 179.26 2ahr h GLU 132 N 0.00 0.00 -0.11 1.69 9.09 -1.99 -3.01 114.58 120.25 2ahr h GLU 132 Ca 0.26 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.50 2ahr h GLU 132 Cb 1.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 2ahr h GLU 132 CO -0.00 0.57 -0.65 1.25 0.05 0.00 0.00 179.01 180.23 2ahr h LEU 133 N 0.00 0.47 -0.46 3.06 5.85 -1.15 -2.32 115.31 120.76 2ahr h LEU 133 Ca -0.13 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.23 2ahr h LEU 133 Cb 1.73 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2ahr h LEU 133 CO 0.08 0.99 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.55 2ahr h GLN 134 N 0.29 0.82 -0.40 1.25 4.15 -1.23 -1.34 115.11 118.66 2ahr h GLN 134 Ca -0.01 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 2ahr h GLN 134 Cb 1.20 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 2ahr h GLN 134 CO 0.11 0.88 0.02 0.00 -1.93 0.00 0.00 178.83 177.91 2ahr h ALA 135 N 0.91 1.29 -0.41 3.38 0.00 -1.50 0.17 119.26 123.09 2ahr h ALA 135 Ca 0.13 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2ahr h ALA 135 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ahr h ALA 135 CO 0.03 0.48 -0.27 -0.09 0.00 0.00 0.00 179.25 179.39 2ahr h ARG 136 N 0.60 0.92 -0.19 0.00 2.43 -1.28 -2.09 114.38 114.75 2ahr h ARG 136 Ca 0.13 -0.43 -0.14 0.00 -0.81 0.00 0.00 59.98 58.72 2ahr h ARG 136 Cb 0.35 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2ahr h ARG 136 CO 0.01 1.09 -0.49 0.28 -1.51 0.00 0.00 179.97 179.35 2ahr h VAL 137 N 0.74 1.32 0.00 0.20 2.07 -0.84 -2.69 116.25 117.05 2ahr h VAL 137 Ca 0.08 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 2ahr h VAL 137 Cb 0.85 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2ahr h VAL 137 CO 0.08 0.53 -0.13 -0.09 0.02 0.00 0.00 177.57 177.98 2ahr h ARG 138 N 0.41 0.00 -0.51 1.57 2.43 -0.57 -0.53 114.38 117.18 2ahr h ARG 138 Ca 0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2ahr h ARG 138 Cb 1.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2ahr h ARG 138 CO 0.09 0.13 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.20 2ahr h ASP 139 N 0.00 0.92 -0.31 -3.80 3.32 -1.05 -0.60 116.42 114.91 2ahr h ASP 139 Ca -0.00 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 2ahr h ASP 139 Cb 0.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2ahr h ASP 139 CO 0.02 1.03 0.13 -0.07 -1.72 0.00 0.00 179.24 178.63 2ahr h LEU 140 N 0.80 0.42 -0.43 1.55 4.07 -1.00 -2.77 115.31 117.95 2ahr h LEU 140 Ca 0.14 -0.15 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 2ahr h LEU 140 Cb 0.58 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 2ahr h LEU 140 CO 0.03 0.45 -0.69 0.71 -1.08 0.00 0.00 178.44 177.86 2ahr h THR 141 N 0.35 1.36 0.00 0.22 1.35 -1.10 -2.18 112.91 112.92 2ahr h THR 141 Ca 0.10 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 2ahr h THR 141 Cb 0.16 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2ahr h THR 141 CO -0.01 0.62 0.00 0.44 -0.25 0.00 0.00 175.52 176.32 2ahr h ASP 142 N 0.31 0.00 0.93 5.36 3.32 -1.08 -2.19 116.42 123.08 2ahr h ASP 142 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2ahr h ASP 142 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 2ahr h ASP 142 CO 0.12 0.00 -0.04 0.77 -1.72 0.00 0.00 179.24 178.37 2ahr h SER 143 N 0.00 0.00 0.00 6.45 4.64 -1.09 -3.23 113.55 120.32 2ahr h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ahr h SER 143 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2ahr h SER 143 CO 0.00 0.04 -0.13 2.22 -0.87 0.00 0.00 176.83 178.10 2ahr n PHE 144 N -3.17 0.00 0.00 4.77 1.16 -0.84 -4.56 117.46 114.82 2ahr n PHE 144 Ca 0.00 -0.67 0.00 0.00 -1.87 0.00 0.00 57.45 54.91 2ahr n PHE 144 Cb 0.31 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.07 2ahr n PHE 144 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ahr n GLY 145 N -0.95 -0.53 3.88 4.97 0.00 -1.09 -1.59 105.19 109.88 2ahr n GLY 145 Ca 0.10 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 2ahr n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ahr s SER 146 N -4.00 5.28 -0.05 1.61 0.01 -0.14 -4.33 113.70 112.08 2ahr s SER 146 Ca 0.00 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2ahr s SER 146 Cb 0.00 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.43 2ahr s SER 146 CO 0.00 -0.51 -0.08 -0.89 0.41 0.00 0.00 173.24 172.17 2ahr s THR 147 N -2.36 0.77 -0.14 1.44 2.01 -1.26 -1.66 115.64 114.44 2ahr s THR 147 Ca 0.45 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 2ahr s THR 147 Cb -0.05 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 2ahr s THR 147 CO 0.28 0.27 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.03 2ahr s PHE 148 N 0.65 2.92 -0.69 4.92 0.08 0.19 -4.94 117.98 121.11 2ahr s PHE 148 Ca -0.11 -0.43 -0.26 0.00 0.12 0.00 0.00 56.93 56.26 2ahr s PHE 148 Cb -0.13 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.47 2ahr s PHE 148 CO 0.01 -0.09 1.17 0.34 -0.10 0.00 0.00 175.22 176.56 2ahr s ASP 149 N 0.26 6.21 -0.11 1.36 3.68 -1.26 -0.85 116.67 125.97 2ahr s ASP 149 Ca -0.06 -0.50 0.03 0.00 2.13 0.00 0.00 52.55 54.15 2ahr s ASP 149 Cb -0.15 -2.52 -0.00 0.00 -1.45 0.00 0.00 42.92 38.80 2ahr s ASP 149 CO 0.04 -1.65 -0.22 -0.63 0.13 0.00 0.00 175.17 172.84 2ahr s ILE 150 N 5.11 2.25 0.55 4.11 -1.09 -1.20 -4.97 121.20 125.96 2ahr s ILE 150 Ca 0.33 -0.95 -0.21 0.00 -2.23 0.00 0.00 60.65 57.59 2ahr s ILE 150 Cb -0.10 -1.88 -0.06 0.00 -1.58 0.00 0.00 42.46 38.84 2ahr s ILE 150 CO 0.16 0.55 1.18 -1.20 -1.23 0.00 0.00 174.94 174.40 2ahr n SER 151 N 3.58 1.87 0.07 3.58 7.64 -1.26 -4.48 113.62 124.61 2ahr n SER 151 Ca -0.19 0.93 0.03 0.00 1.01 0.00 0.00 58.87 60.65 2ahr n SER 151 Cb 0.53 -1.49 0.41 0.00 -1.01 0.00 0.00 64.21 62.65 2ahr n SER 151 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ahr h GLU 152 N 1.12 0.38 0.00 1.43 4.81 -1.97 -1.20 114.58 119.15 2ahr h GLU 152 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2ahr h GLU 152 Cb 1.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2ahr h GLU 152 CO 0.55 0.36 0.11 1.57 -0.73 0.00 0.00 179.01 180.87 2ahr h LYS 153 N 0.38 0.00 -0.31 1.92 2.10 -2.05 -1.70 116.57 116.91 2ahr h LYS 153 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2ahr h LYS 153 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2ahr h LYS 153 CO -0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2ahr n ASP 154 N -2.79 3.08 -0.17 7.07 8.00 -0.45 -4.64 116.55 126.64 2ahr n ASP 154 Ca -0.02 -1.89 -0.08 0.00 0.71 0.00 0.00 54.79 53.50 2ahr n ASP 154 Cb 0.16 -0.20 0.06 0.00 -0.02 0.00 0.00 41.12 41.12 2ahr n ASP 154 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2ahr h PHE 155 N 3.58 1.07 -0.43 1.24 -1.00 -1.34 -1.25 116.94 118.80 2ahr h PHE 155 Ca 0.00 -0.20 -0.04 0.00 2.81 0.00 0.00 57.97 60.55 2ahr h PHE 155 Cb 0.84 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 2ahr h PHE 155 CO 0.20 0.98 0.13 -0.44 -1.61 0.00 0.00 178.31 177.57 2ahr h ASP 156 N 0.88 0.64 -0.40 2.17 3.32 -1.82 0.26 116.42 121.46 2ahr h ASP 156 Ca 0.15 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ahr h ASP 156 Cb 0.61 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2ahr h ASP 156 CO 0.04 0.68 0.19 0.74 -1.72 0.00 0.00 179.24 179.17 2ahr h THR 157 N 0.56 1.17 -0.74 0.35 2.02 -1.86 -2.70 112.91 111.71 2ahr h THR 157 Ca 0.14 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.84 2ahr h THR 157 Cb 0.28 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2ahr h THR 157 CO -0.00 0.19 0.49 0.15 0.37 0.00 0.00 175.52 176.71 2ahr h PHE 158 N 0.51 0.92 -0.81 3.16 3.57 -1.10 0.63 116.94 123.83 2ahr h PHE 158 Ca 0.14 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.82 2ahr h PHE 158 Cb 0.12 -0.31 -0.10 0.00 2.79 0.00 0.00 35.95 38.45 2ahr h PHE 158 CO -0.01 0.57 0.35 1.15 -2.23 0.00 0.00 178.31 178.14 2ahr h THR 159 N 0.99 0.63 -0.04 4.41 2.02 -0.29 0.07 112.91 120.68 2ahr h THR 159 Ca 0.28 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 2ahr h THR 159 Cb -0.09 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 2ahr h THR 159 CO -0.07 0.09 -0.21 0.00 0.37 0.00 0.00 175.52 175.70 2ahr h ALA 160 N 1.59 0.08 0.00 6.16 0.00 -1.05 0.16 119.26 126.20 2ahr h ALA 160 Ca 0.46 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ahr h ALA 160 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2ahr h ALA 160 CO -0.43 0.07 -0.28 -0.07 0.00 0.00 0.00 179.25 178.54 2ahr h LEU 161 N -0.34 0.00 0.00 0.00 3.38 -0.51 -2.77 115.31 115.07 2ahr h LEU 161 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ahr h LEU 161 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2ahr h LEU 161 CO 0.04 0.28 -0.71 0.00 0.09 0.00 0.00 178.44 178.14 2ahr n ALA 162 N -2.30 2.18 -0.03 1.53 0.00 -0.02 -4.48 120.51 117.38 2ahr n ALA 162 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 2ahr n ALA 162 Cb 0.41 0.36 -0.12 0.00 0.00 0.00 0.00 19.45 20.09 2ahr n ALA 162 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ahr h GLY 163 N 0.00 0.15 1.19 0.00 0.00 -1.13 -3.39 103.07 99.90 2ahr h GLY 163 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 47.33 46.75 2ahr h GLY 163 CO 0.00 0.26 -1.57 1.76 0.00 0.00 0.00 176.54 177.00 2ahr h SER 164 N -0.62 0.10 0.01 0.19 0.02 -0.89 -3.39 113.55 108.97 2ahr h SER 164 Ca -0.04 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2ahr h SER 164 Cb 1.06 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2ahr h SER 164 CO 0.05 1.15 -0.00 0.77 -1.14 0.00 0.00 176.83 177.65 2ahr h SER 165 N 0.02 0.00 -0.95 3.07 4.64 -1.67 -2.02 113.55 116.63 2ahr h SER 165 Ca -0.24 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.28 2ahr h SER 165 Cb 1.97 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.97 2ahr h SER 165 CO 0.10 0.00 0.61 -0.65 -0.87 0.00 0.00 176.83 176.03 2ahr h PRO 166 N 0.00 0.55 -0.40 4.77 0.11 -1.76 0.14 132.00 135.42 2ahr h PRO 166 Ca -0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2ahr h PRO 166 Cb 0.01 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2ahr h PRO 166 CO 0.00 0.37 -0.02 0.00 -0.21 0.00 0.00 178.00 178.13 2ahr h ALA 167 N 1.62 1.22 -0.01 -0.75 0.00 -1.67 -1.39 119.26 118.28 2ahr h ALA 167 Ca 0.52 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 2ahr h ALA 167 Cb 1.05 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ahr h ALA 167 CO -0.26 0.52 -0.98 1.88 0.00 0.00 0.00 179.25 180.40 2ahr h TYR 168 N 0.61 0.83 -0.55 0.00 0.05 -0.96 -1.62 116.97 115.33 2ahr h TYR 168 Ca 0.12 -0.45 0.03 0.00 0.05 0.00 0.00 58.73 58.49 2ahr h TYR 168 Cb 0.42 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 2ahr h TYR 168 CO 0.02 1.27 0.32 0.82 -1.05 0.00 0.00 178.16 179.54 2ahr h ILE 169 N 0.32 1.03 -0.49 -2.88 2.04 -0.70 -1.80 117.51 115.02 2ahr h ILE 169 Ca -0.10 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2ahr h ILE 169 Cb 1.62 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2ahr h ILE 169 CO 0.18 0.11 0.02 1.88 0.00 0.00 0.00 178.15 180.34 2ahr h TYR 170 N 0.62 0.92 -0.88 1.37 0.05 -1.09 -0.42 116.97 117.54 2ahr h TYR 170 Ca 0.23 -0.15 0.02 0.00 0.05 0.00 0.00 58.73 58.88 2ahr h TYR 170 Cb 0.07 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.51 2ahr h TYR 170 CO -0.07 0.87 0.58 1.25 -1.05 0.00 0.00 178.16 179.73 2ahr h LEU 171 N 0.71 0.97 0.09 3.88 5.85 -1.22 0.24 115.31 125.84 2ahr h LEU 171 Ca 0.14 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ahr h LEU 171 Cb 0.49 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2ahr h LEU 171 CO 0.02 0.68 -0.04 0.15 -0.34 0.00 0.00 178.44 178.91 2ahr h PHE 172 N 1.14 -0.12 -0.64 1.25 3.57 -1.12 -0.36 116.94 120.67 2ahr h PHE 172 Ca 0.34 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2ahr h PHE 172 Cb -0.05 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2ahr h PHE 172 CO -0.01 0.00 0.40 0.82 -2.23 0.00 0.00 178.31 177.28 2ahr h ILE 173 N -0.21 1.08 -0.62 1.41 2.04 -0.86 -1.85 117.51 118.50 2ahr h ILE 173 Ca -0.01 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2ahr h ILE 173 Cb 0.17 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2ahr h ILE 173 CO 0.02 0.14 0.35 -0.08 0.00 0.00 0.00 178.15 178.58 2ahr h GLU 174 N 0.77 0.85 -0.40 2.37 4.57 -0.35 -1.75 114.58 120.65 2ahr h GLU 174 Ca 0.26 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2ahr h GLU 174 Cb 0.03 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2ahr h GLU 174 CO -0.11 0.62 -0.03 0.00 -1.18 0.00 0.00 179.01 178.31 2ahr h ALA 175 N 1.52 0.55 -0.61 2.92 0.00 -0.47 0.95 119.26 124.12 2ahr h ALA 175 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ahr h ALA 175 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ahr h ALA 175 CO -0.04 0.35 0.33 -0.07 0.00 0.00 0.00 179.25 179.83 2ahr h LEU 176 N 0.55 0.77 -0.36 0.00 3.38 -1.12 -1.46 115.31 117.07 2ahr h LEU 176 Ca 0.11 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2ahr h LEU 176 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ahr h LEU 176 CO 0.03 0.64 -0.11 0.00 0.09 0.00 0.00 178.44 179.09 2ahr h ALA 177 N 1.15 0.50 -0.73 1.53 0.00 -1.03 -1.70 119.26 118.99 2ahr h ALA 177 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ahr h ALA 177 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2ahr h ALA 177 CO -0.03 0.37 0.46 0.87 0.00 0.00 0.00 179.25 180.92 2ahr h LYS 178 N 0.50 0.97 -0.74 0.00 1.79 -0.69 -0.14 116.57 118.25 2ahr h LYS 178 Ca 0.09 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2ahr h LYS 178 Cb 0.63 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 2ahr h LYS 178 CO 0.04 0.66 0.24 0.00 -1.08 0.00 0.00 179.45 179.31 2ahr h ALA 179 N 1.52 0.97 -0.34 3.86 0.00 -0.90 0.33 119.26 124.70 2ahr h ALA 179 Ca 0.26 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2ahr h ALA 179 Cb -0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 2ahr h ALA 179 CO -0.05 0.65 0.03 0.78 0.00 0.00 0.00 179.25 180.66 2ahr h GLY 180 N 1.10 0.36 0.64 0.00 0.00 -0.35 -1.49 103.07 103.33 2ahr h GLY 180 Ca 0.24 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.61 2ahr h GLY 180 CO -0.01 -0.05 -0.11 -2.08 0.00 0.00 0.00 176.54 174.29 2ahr h VAL 181 N 0.13 0.70 -0.98 4.60 2.07 -0.59 0.44 116.25 122.63 2ahr h VAL 181 Ca 0.16 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.87 2ahr h VAL 181 Cb 0.20 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 2ahr h VAL 181 CO -0.24 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.42 2ahr h LYS 182 N -0.16 0.69 -0.87 1.57 3.64 -0.71 -1.37 116.57 119.37 2ahr h LYS 182 Ca 0.06 -0.04 -0.33 0.00 -1.27 0.00 0.00 60.65 59.07 2ahr h LYS 182 Cb 0.25 -0.16 -0.20 0.00 -0.41 0.00 0.00 32.23 31.71 2ahr h LYS 182 CO -0.16 0.46 0.42 0.09 -2.27 0.00 0.00 179.45 177.99 2ahr n ASN 183 N -4.81 4.32 0.00 4.20 3.02 -0.58 -4.92 115.26 116.49 2ahr n ASN 183 Ca 0.23 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 2ahr n ASN 183 Cb 0.58 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2ahr n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ahr n GLY 184 N -0.52 0.36 3.70 7.41 0.00 -0.51 -4.99 105.19 110.63 2ahr n GLY 184 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2ahr n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ahr s ILE 185 N -2.00 5.28 0.34 -0.61 1.01 0.08 -4.97 121.20 120.32 2ahr s ILE 185 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.52 2ahr s ILE 185 Cb 0.00 -3.42 -0.13 0.00 0.01 0.00 0.00 42.46 38.93 2ahr s ILE 185 CO 0.00 0.42 1.08 -2.65 0.00 0.00 0.00 174.94 173.79 2ahr n PRO 186 N 3.70 1.56 -0.17 2.79 -0.02 -1.26 -2.84 135.00 138.75 2ahr n PRO 186 Ca -0.16 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 61.84 2ahr n PRO 186 Cb 0.52 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 32.01 2ahr n PRO 186 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ahr h LYS 187 N 2.02 -0.06 -0.62 -0.52 1.63 -1.94 0.18 116.57 117.26 2ahr h LYS 187 Ca -0.42 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.44 2ahr h LYS 187 Cb 1.32 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.92 2ahr h LYS 187 CO 0.60 -0.04 0.33 0.00 -3.45 0.00 0.00 179.45 176.89 2ahr h ALA 188 N 1.37 0.82 -0.19 5.00 0.00 -1.97 0.89 119.26 125.17 2ahr h ALA 188 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2ahr h ALA 188 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ahr h ALA 188 CO -0.58 0.00 -0.14 -0.22 0.00 0.00 0.00 179.25 178.32 2ahr h LYS 189 N 0.62 0.44 -0.86 0.00 1.63 -1.72 -1.40 116.57 115.28 2ahr h LYS 189 Ca 0.28 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2ahr h LYS 189 Cb 0.18 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.75 2ahr h LYS 189 CO -0.18 0.76 0.56 0.00 -3.45 0.00 0.00 179.45 177.14 2ahr h ALA 190 N 0.67 1.13 -0.16 5.00 0.00 -0.54 -1.95 119.26 123.42 2ahr h ALA 190 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2ahr h ALA 190 Cb 0.66 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ahr h ALA 190 CO 0.04 0.40 -0.34 1.25 0.00 0.00 0.00 179.25 180.60 2ahr h LEU 191 N 1.08 0.33 -0.08 0.00 5.85 -0.73 -1.85 115.31 119.91 2ahr h LEU 191 Ca 0.34 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2ahr h LEU 191 Cb -0.00 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2ahr h LEU 191 CO -0.11 0.66 0.01 -0.08 -0.34 0.00 0.00 178.44 178.57 2ahr h GLU 192 N 0.28 0.14 -0.25 1.25 4.81 -0.76 -1.75 114.58 118.29 2ahr h GLU 192 Ca 0.03 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2ahr h GLU 192 Cb 0.73 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2ahr h GLU 192 CO 0.06 0.38 0.10 0.82 -0.73 0.00 0.00 179.01 179.64 2ahr h ILE 193 N -0.12 1.18 -0.16 2.32 2.04 -1.21 -2.09 117.51 119.47 2ahr h ILE 193 Ca 0.02 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 2ahr h ILE 193 Cb 0.32 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2ahr h ILE 193 CO 0.00 0.18 -0.17 -0.37 0.00 0.00 0.00 178.15 177.79 2ahr h VAL 194 N 0.25 1.35 -0.78 1.67 -1.51 -1.38 -0.69 116.25 115.16 2ahr h VAL 194 Ca 0.08 -1.35 0.07 0.00 -1.23 0.00 0.00 66.70 64.28 2ahr h VAL 194 Cb 0.19 1.87 -0.06 0.00 -2.13 0.00 0.00 31.29 31.16 2ahr h VAL 194 CO -0.01 0.40 0.45 0.74 -1.23 0.00 0.00 177.57 177.92 2ahr h THR 195 N 0.03 0.96 -0.52 7.19 2.02 -1.35 0.55 112.91 121.78 2ahr h THR 195 Ca 0.02 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 2ahr h THR 195 Cb 0.72 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2ahr h THR 195 CO 0.04 0.14 -0.10 -0.61 0.37 0.00 0.00 175.52 175.36 2ahr h GLN 196 N 0.79 0.97 -0.29 6.66 4.15 -1.29 -1.10 115.11 125.01 2ahr h GLN 196 Ca 0.36 -0.35 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 2ahr h GLN 196 Cb 0.25 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 2ahr h GLN 196 CO -0.21 1.02 -0.53 1.15 -1.93 0.00 0.00 178.83 178.33 2ahr h THR 197 N 0.87 1.28 0.14 2.39 2.02 -0.10 -1.84 112.91 117.65 2ahr h THR 197 Ca 0.14 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2ahr h THR 197 Cb 0.65 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2ahr h THR 197 CO 0.05 0.56 -0.12 0.58 0.37 0.00 0.00 175.52 176.96 2ahr h VAL 198 N 0.65 0.74 -0.41 3.16 2.07 0.15 -0.59 116.25 122.01 2ahr h VAL 198 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2ahr h VAL 198 Cb 1.13 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 2ahr h VAL 198 CO 0.12 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.32 2ahr h LEU 199 N -0.27 -1.05 -0.78 2.57 3.38 -1.15 -0.92 115.31 117.10 2ahr h LEU 199 Ca -0.00 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2ahr h LEU 199 Cb 0.25 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2ahr h LEU 199 CO -0.02 -0.31 -0.24 0.00 0.09 0.00 0.00 178.44 177.95 2ahr h ALA 200 N 0.81 0.95 -0.08 1.53 0.00 -1.22 -1.83 119.26 119.42 2ahr h ALA 200 Ca 0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ahr h ALA 200 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ahr h ALA 200 CO -0.54 0.61 -0.01 0.77 0.00 0.00 0.00 179.25 180.07 2ahr h SER 201 N 0.57 0.15 -0.86 0.00 0.02 -0.85 0.35 113.55 112.94 2ahr h SER 201 Ca 0.08 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.71 2ahr h SER 201 Cb 0.72 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 2ahr h SER 201 CO 0.06 0.46 0.56 0.00 -1.14 0.00 0.00 176.83 176.76 2ahr h ALA 202 N 0.70 1.13 -0.42 3.77 0.00 -1.11 -1.24 119.26 122.08 2ahr h ALA 202 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2ahr h ALA 202 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ahr h ALA 202 CO 0.01 0.42 0.05 1.03 0.00 0.00 0.00 179.25 180.76 2ahr h SER 203 N 1.10 0.68 -0.40 0.00 0.87 -1.18 -0.44 113.55 114.17 2ahr h SER 203 Ca 0.34 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2ahr h SER 203 Cb -0.03 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 2ahr h SER 203 CO -0.11 0.78 0.19 -1.13 -0.53 0.00 0.00 176.83 176.03 2ahr h ASN 204 N 0.55 0.26 -0.09 6.23 -0.73 -0.68 -1.94 115.58 119.18 2ahr h ASN 204 Ca 0.12 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.33 2ahr h ASN 204 Cb 0.40 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 2ahr h ASN 204 CO 0.01 0.19 0.01 0.25 -0.37 0.00 0.00 177.43 177.52 2ahr h LEU 205 N 0.38 -0.00 -0.55 0.34 5.85 -1.02 -2.03 115.31 118.27 2ahr h LEU 205 Ca 0.18 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2ahr h LEU 205 Cb 0.10 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 2ahr h LEU 205 CO -0.14 0.02 0.20 0.50 -0.34 0.00 0.00 178.44 178.68 2ahr h LYS 206 N 0.05 0.37 -0.01 1.25 3.64 -0.85 -2.61 116.57 118.42 2ahr h LYS 206 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ahr h LYS 206 Cb 0.04 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2ahr h LYS 206 CO -0.06 0.24 -0.16 0.25 -2.27 0.00 0.00 179.45 177.46 2ahr n THR 207 N -5.00 0.00 -3.61 1.00 -2.24 -0.75 -4.88 114.28 98.80 2ahr n THR 207 Ca 0.07 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.53 2ahr n THR 207 Cb 0.23 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2ahr n THR 207 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ahr s SER 208 N -2.49 6.32 0.08 3.42 0.15 -0.78 -5.00 113.70 115.41 2ahr s SER 208 Ca 0.27 0.34 0.25 0.00 0.70 0.00 0.00 55.95 57.50 2ahr s SER 208 Cb 0.20 -1.98 0.43 0.00 -1.71 0.00 0.00 66.02 62.95 2ahr s SER 208 CO 0.49 -0.18 1.37 -1.54 1.20 0.00 0.00 173.24 174.59 2ahr n SER 209 N -1.44 0.62 -4.78 5.45 3.41 -1.26 -4.95 113.62 110.66 2ahr n SER 209 Ca -0.06 0.05 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 2ahr n SER 209 Cb 0.56 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.64 2ahr n SER 209 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ahr s GLN 210 N -3.12 3.58 0.67 4.33 -0.21 -1.26 -5.06 119.66 118.59 2ahr s GLN 210 Ca 0.08 1.50 -0.10 0.00 0.02 0.00 0.00 55.36 56.86 2ahr s GLN 210 Cb 0.15 -2.06 0.01 0.00 1.00 0.00 0.00 33.01 32.11 2ahr s GLN 210 CO 0.71 -0.64 1.04 -1.54 -2.12 0.00 0.00 175.29 172.73 2ahr s SER 211 N -1.85 5.49 0.25 5.90 1.04 -1.26 -4.90 113.70 118.37 2ahr s SER 211 Ca 0.70 1.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.09 2ahr s SER 211 Cb -0.21 -1.86 0.47 0.00 0.10 0.00 0.00 66.02 64.53 2ahr s SER 211 CO 0.24 -1.25 1.71 -0.65 0.98 0.00 0.00 173.24 174.27 2ahr h PRO 212 N -0.51 0.37 -0.13 4.02 0.11 -1.97 -1.67 132.00 132.22 2ahr h PRO 212 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2ahr h PRO 212 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2ahr h PRO 212 CO 0.63 0.25 -0.31 0.45 -0.21 0.00 0.00 178.00 178.81 2ahr h HIS 213 N 0.38 0.28 -0.48 0.65 3.86 -1.99 -0.47 115.15 117.38 2ahr h HIS 213 Ca 0.42 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.61 2ahr h HIS 213 Cb 0.68 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 2ahr h HIS 213 CO -0.19 0.54 0.24 -0.44 0.86 0.00 0.00 177.93 178.94 2ahr h ASP 214 N 0.22 0.35 -0.43 2.45 3.32 -1.69 -2.14 116.42 118.50 2ahr h ASP 214 Ca 0.03 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2ahr h ASP 214 Cb 0.66 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2ahr h ASP 214 CO 0.05 0.25 0.13 -0.26 -1.72 0.00 0.00 179.24 177.68 2ahr h PHE 215 N 0.48 0.70 -0.61 4.55 0.04 -0.85 -2.72 116.94 118.52 2ahr h PHE 215 Ca 0.21 -0.07 0.12 0.00 2.80 0.00 0.00 57.97 61.03 2ahr h PHE 215 Cb 0.12 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 37.98 2ahr h PHE 215 CO -0.10 0.64 0.10 0.82 -0.60 0.00 0.00 178.31 179.17 2ahr h ILE 216 N 0.55 0.59 -0.87 -0.55 2.04 -0.92 -0.90 117.51 117.46 2ahr h ILE 216 Ca 0.14 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2ahr h ILE 216 Cb 0.28 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 2ahr h ILE 216 CO -0.00 0.04 0.56 0.44 0.00 0.00 0.00 178.15 179.18 2ahr h ASP 217 N 0.22 0.92 -0.66 1.72 3.32 -1.27 -0.58 116.42 120.08 2ahr h ASP 217 Ca 0.32 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 2ahr h ASP 217 Cb 0.50 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2ahr h ASP 217 CO -0.44 0.62 0.17 0.00 -1.72 0.00 0.00 179.24 177.87 2ahr h ALA 218 N 1.37 0.87 0.02 3.45 0.00 -1.05 -3.26 119.26 120.64 2ahr h ALA 218 Ca 0.35 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 2ahr h ALA 218 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2ahr h ALA 218 CO -0.13 0.58 -0.97 0.82 0.00 0.00 0.00 179.25 179.55 2ahr h ILE 219 N 0.97 1.64 -0.94 0.00 2.04 -0.73 -3.41 117.51 117.09 2ahr h ILE 219 Ca 0.21 -3.15 -0.64 0.00 1.00 0.00 0.00 64.86 62.28 2ahr h ILE 219 Cb 0.35 2.74 -0.09 0.00 -0.74 0.00 0.00 36.82 39.08 2ahr h ILE 219 CO 0.00 0.90 1.91 0.00 0.00 0.00 0.00 178.15 180.96 2ahr n SER 221 N 8.80 3.65 -4.70 0.00 7.64 -1.26 -4.87 113.62 122.88 2ahr n SER 221 Ca 0.43 1.18 -0.43 0.00 1.01 0.00 0.00 58.87 61.06 2ahr n SER 221 Cb 0.48 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.07 2ahr n SER 221 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ahr n PRO 222 N 1.42 2.65 -1.00 1.43 -0.02 -1.26 -0.77 135.00 137.44 2ahr n PRO 222 Ca 0.06 0.96 -0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2ahr n PRO 222 Cb 0.37 -2.81 -0.00 0.00 -0.02 0.00 0.00 33.50 31.04 2ahr n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ahr n GLY 223 N 3.97 0.33 0.00 -1.23 0.00 -1.26 -5.00 105.19 102.01 2ahr n GLY 223 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ahr n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ahr n GLY 224 N -1.66 0.58 0.11 -0.02 0.00 0.05 -5.03 105.19 99.23 2ahr n GLY 224 Ca -0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 2ahr n GLY 224 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ahr h THR 225 N -0.38 1.15 -0.14 2.61 1.35 -1.95 -3.29 112.91 112.27 2ahr h THR 225 Ca 0.00 -2.79 -0.02 0.00 -0.55 0.00 0.00 66.41 63.06 2ahr h THR 225 Cb 0.00 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 2ahr h THR 225 CO 0.00 0.82 0.03 0.74 -0.25 0.00 0.00 175.52 176.85 2ahr h THR 226 N 0.07 1.21 -0.59 6.82 2.02 -1.89 -2.29 112.91 118.27 2ahr h THR 226 Ca -0.24 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2ahr h THR 226 Cb 2.02 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 2ahr h THR 226 CO 0.16 0.20 0.38 -0.29 0.37 0.00 0.00 175.52 176.34 2ahr h ILE 227 N 0.02 1.16 -0.46 3.11 6.09 -1.84 0.22 117.51 125.81 2ahr h ILE 227 Ca 0.04 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 2ahr h ILE 227 Cb 0.28 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 37.85 2ahr h ILE 227 CO 0.00 0.16 0.24 0.00 -3.07 0.00 0.00 178.15 175.48 2ahr h ALA 228 N 1.62 0.58 -0.37 0.18 0.00 -1.58 -3.03 119.26 116.66 2ahr h ALA 228 Ca 0.21 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2ahr h ALA 228 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2ahr h ALA 228 CO -0.04 0.12 -0.29 0.78 0.00 0.00 0.00 179.25 179.82 2ahr h GLY 229 N 0.60 0.86 -1.45 0.00 0.00 -0.90 -2.58 103.07 99.60 2ahr h GLY 229 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2ahr h GLY 229 CO -0.02 0.72 0.00 -0.10 0.00 0.00 0.00 176.54 177.13 2ahr n LEU 230 N -4.08 0.16 0.00 3.11 7.94 0.71 -1.62 117.00 123.22 2ahr n LEU 230 Ca -0.01 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2ahr n LEU 230 Cb 0.47 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2ahr n LEU 230 CO 0.46 0.03 0.00 1.21 -1.11 0.00 0.00 177.39 177.98 2ahr n GLU 232 N 0.68 0.00 -0.29 1.96 4.07 -0.97 -1.45 120.64 124.64 2ahr n GLU 232 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2ahr n GLU 232 Cb 0.03 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.50 2ahr n GLU 232 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ahr h LEU 233 N 0.00 0.87 -0.30 4.31 3.38 -1.60 -1.79 115.31 120.17 2ahr h LEU 233 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ahr h LEU 233 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2ahr h LEU 233 CO 0.00 0.61 0.12 -0.33 0.09 0.00 0.00 178.44 178.93 2ahr h GLU 234 N 1.02 0.45 -0.98 1.13 4.39 -1.54 -0.99 114.58 118.07 2ahr h GLU 234 Ca 0.31 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.95 2ahr h GLU 234 Cb -0.04 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 2ahr h GLU 234 CO -0.09 0.47 0.65 -0.09 -1.16 0.00 0.00 179.01 178.78 2ahr h ARG 235 N 0.34 1.25 -0.01 2.33 2.43 -1.74 -2.87 114.38 116.11 2ahr h ARG 235 Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2ahr h ARG 235 Cb 0.18 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2ahr h ARG 235 CO -0.01 0.83 -0.25 1.28 -1.51 0.00 0.00 179.97 180.31 2ahr n LEU 236 N -4.41 1.60 -0.35 3.80 4.77 -0.71 -4.97 117.00 116.73 2ahr n LEU 236 Ca 0.12 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2ahr n LEU 236 Cb 0.05 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ahr n LEU 236 CO 0.36 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2ahr n GLY 237 N 1.34 0.93 0.28 -0.72 0.00 -0.49 -4.93 105.19 101.60 2ahr n GLY 237 Ca 0.13 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2ahr n GLY 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ahr h LEU 238 N 0.00 -0.79 -0.34 0.99 5.85 -1.52 0.16 115.31 119.66 2ahr h LEU 238 Ca 0.00 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2ahr h LEU 238 Cb 0.79 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2ahr h LEU 238 CO 0.00 -0.29 0.19 0.74 -0.34 0.00 0.00 178.44 178.74 2ahr h THR 239 N -0.26 1.14 -0.74 1.05 2.02 -1.94 -1.68 112.91 112.48 2ahr h THR 239 Ca 0.13 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2ahr h THR 239 Cb 0.47 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2ahr h THR 239 CO -0.38 0.14 0.30 0.00 0.37 0.00 0.00 175.52 175.95 2ahr h ALA 240 N 1.05 0.97 0.02 6.16 0.00 -1.91 -1.38 119.26 124.17 2ahr h ALA 240 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2ahr h ALA 240 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2ahr h ALA 240 CO -0.02 0.59 -0.15 1.15 0.00 0.00 0.00 179.25 180.82 2ahr h THR 241 N 1.07 0.63 -0.23 0.00 2.02 -0.42 0.15 112.91 116.13 2ahr h THR 241 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2ahr h THR 241 Cb 0.21 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2ahr h THR 241 CO -0.02 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.60 2ahr h VAL 242 N -0.26 1.06 -0.45 3.16 2.07 -1.20 -1.60 116.25 119.02 2ahr h VAL 242 Ca 0.05 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2ahr h VAL 242 Cb 0.32 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2ahr h VAL 242 CO -0.14 0.06 0.29 -1.28 0.02 0.00 0.00 177.57 176.52 2ahr h SER 243 N 0.31 0.49 -0.01 0.57 0.87 -1.12 -0.22 113.55 114.43 2ahr h SER 243 Ca 0.08 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2ahr h SER 243 Cb -0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2ahr h SER 243 CO -0.02 0.35 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.28 2ahr h SER 244 N 0.59 0.20 0.10 6.23 0.87 -0.57 -1.25 113.55 119.72 2ahr h SER 244 Ca 0.17 -0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.51 2ahr h SER 244 Cb -0.05 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2ahr h SER 244 CO -0.05 0.31 -0.71 0.00 -0.53 0.00 0.00 176.83 175.85 2ahr h ALA 245 N 1.72 0.53 -0.69 6.23 0.00 -0.43 -1.86 119.26 124.77 2ahr h ALA 245 Ca 0.05 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2ahr h ALA 245 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2ahr h ALA 245 CO 0.01 0.73 0.22 0.82 0.00 0.00 0.00 179.25 181.03 2ahr h ILE 246 N 0.38 1.25 -0.90 0.00 1.08 -0.64 -1.68 117.51 117.01 2ahr h ILE 246 Ca -0.03 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 2ahr h ILE 246 Cb 1.29 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 2ahr h ILE 246 CO 0.13 0.34 0.51 0.44 -0.69 0.00 0.00 178.15 178.88 2ahr h ASP 247 N 1.00 1.10 -0.24 1.72 3.32 -1.07 -1.11 116.42 121.14 2ahr h ASP 247 Ca 0.22 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2ahr h ASP 247 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2ahr h ASP 247 CO -0.01 0.86 -0.31 0.11 -1.72 0.00 0.00 179.24 178.17 2ahr h LYS 248 N 1.24 0.75 -0.05 3.56 1.79 -1.17 0.23 116.57 122.91 2ahr h LYS 248 Ca 0.32 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2ahr h LYS 248 Cb -0.01 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2ahr h LYS 248 CO -0.06 0.96 0.02 1.15 -1.08 0.00 0.00 179.45 180.44 2ahr h THR 249 N 0.63 0.99 -0.43 -0.16 2.02 -0.97 -0.88 112.91 114.11 2ahr h THR 249 Ca 0.07 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 2ahr h THR 249 Cb 0.84 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2ahr h THR 249 CO 0.07 0.01 0.13 0.40 0.37 0.00 0.00 175.52 176.50 2ahr h ILE 250 N 0.04 1.22 -0.97 3.11 2.04 -1.03 -0.81 117.51 121.11 2ahr h ILE 250 Ca 0.02 -0.74 0.17 0.00 1.00 0.00 0.00 64.86 65.31 2ahr h ILE 250 Cb 0.01 0.89 -0.10 0.00 -0.74 0.00 0.00 36.82 36.87 2ahr h ILE 250 CO -0.02 0.26 0.57 0.44 0.00 0.00 0.00 178.15 179.40 2ahr h ASP 251 N 0.56 0.74 -0.22 1.72 3.32 -0.41 0.72 116.42 122.84 2ahr h ASP 251 Ca 0.14 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2ahr h ASP 251 Cb 0.27 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2ahr h ASP 251 CO -0.00 0.29 -0.14 0.50 -1.72 0.00 0.00 179.24 178.16 2ahr h LYS 252 N 0.76 0.49 -0.69 3.56 1.63 -0.45 -1.08 116.57 120.80 2ahr h LYS 252 Ca 0.54 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 60.15 2ahr h LYS 252 Cb 0.79 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.36 2ahr h LYS 252 CO -0.36 0.79 0.41 0.00 -3.45 0.00 0.00 179.45 176.83 2ahr h ALA 253 N 0.69 0.91 -0.28 5.00 0.00 -0.62 -1.33 119.26 123.63 2ahr h ALA 253 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2ahr h ALA 253 Cb 0.66 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2ahr h ALA 253 CO 0.04 0.15 0.09 0.87 0.00 0.00 0.00 179.25 180.40 2ahr h LYS 254 N 0.79 0.21 0.00 0.00 1.57 -0.71 -3.14 116.57 115.29 2ahr h LYS 254 Ca 0.29 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 2ahr h LYS 254 Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2ahr h LYS 254 CO -0.13 0.14 -0.51 0.66 -0.57 0.00 0.00 179.45 179.03 2ahr h SER 255 N 0.22 0.00 0.00 0.86 4.64 -0.54 -3.51 113.55 115.21 2ahr h SER 255 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2ahr h SER 255 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2ahr h SER 255 CO -0.14 0.51 0.00 0.18 -0.87 0.00 0.00 176.83 176.52