#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x64 h HIS 0 N 0.00 0.00 -4.45 1.57 2.76 -1.95 -3.45 115.15 109.63 2x64 h HIS 0 Ca 0.00 0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 57.47 2x64 h HIS 0 Cb 0.00 0.00 -0.28 0.00 1.55 0.00 0.00 27.41 28.68 2x64 h HIS 0 CO 0.00 0.36 -0.88 -1.64 -1.30 0.00 0.00 177.93 174.48 2x64 s MET 1 N -3.08 2.03 -0.11 5.26 1.00 -1.26 -3.17 119.30 119.97 2x64 s MET 1 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 55.69 54.76 2x64 s MET 1 Cb 0.07 -2.04 0.02 0.00 0.00 0.00 0.00 34.83 32.88 2x64 s MET 1 CO 0.72 0.55 -0.12 0.21 0.00 0.00 0.00 175.02 176.38 2x64 s LYS 2 N -0.86 1.85 -0.25 2.03 2.20 -0.21 -0.16 119.74 124.35 2x64 s LYS 2 Ca 0.11 -0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.23 2x64 s LYS 2 Cb -0.10 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 2x64 s LYS 2 CO 0.00 -0.14 0.08 -1.17 -0.36 0.00 0.00 175.35 173.77 2x64 s LEU 3 N 1.23 3.54 -0.39 5.43 2.96 0.08 -0.07 118.68 131.46 2x64 s LEU 3 Ca -0.03 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.48 2x64 s LEU 3 Cb -0.14 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2x64 s LEU 3 CO -0.04 -0.02 0.82 -0.31 -1.32 0.00 0.00 176.35 175.48 2x64 s TYR 4 N 1.54 3.07 0.37 5.38 1.51 0.33 -0.59 117.35 128.95 2x64 s TYR 4 Ca 0.06 0.51 0.08 0.00 -1.01 0.00 0.00 57.07 56.71 2x64 s TYR 4 Cb -0.15 -3.53 -0.07 0.00 -0.11 0.00 0.00 41.96 38.10 2x64 s TYR 4 CO 0.04 -0.82 -0.02 0.96 -1.11 0.00 0.00 175.55 174.60 2x64 s ILE 5 N 3.24 2.23 -0.07 2.71 -4.36 0.04 -3.40 121.20 121.59 2x64 s ILE 5 Ca 0.33 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 2x64 s ILE 5 Cb -0.13 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.80 2x64 s ILE 5 CO 0.19 -0.12 -0.06 -0.32 0.24 0.00 0.00 174.94 174.87 2x64 s MET 6 N -3.68 1.11 -0.00 0.37 -2.45 -1.26 -0.51 119.30 112.87 2x64 s MET 6 Ca 0.34 -0.15 -0.35 0.00 -1.25 0.00 0.00 55.69 54.27 2x64 s MET 6 Cb 0.05 -1.14 -0.14 0.00 1.25 0.00 0.00 34.83 34.84 2x64 s MET 6 CO 0.18 -0.15 1.66 -2.30 1.05 0.00 0.00 175.02 175.46 2x64 n PRO 7 N 4.43 1.82 -0.51 4.11 -0.02 -1.26 -1.90 135.00 141.66 2x64 n PRO 7 Ca -0.18 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2x64 n PRO 7 Cb 0.51 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2x64 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x64 n GLY 8 N 3.70 1.94 3.76 -1.23 0.00 -1.26 -5.03 105.19 107.06 2x64 n GLY 8 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2x64 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x64 s ALA 9 N -3.48 1.38 0.52 4.61 0.00 -0.80 -4.87 121.76 119.11 2x64 s ALA 9 Ca 0.00 -1.12 0.23 0.00 0.00 0.00 0.00 51.96 51.07 2x64 s ALA 9 Cb 0.00 -2.81 1.33 0.00 0.00 0.00 0.00 23.12 21.64 2x64 s ALA 9 CO 0.00 -3.08 2.01 0.00 0.00 0.00 0.00 175.76 174.68 2x64 h SER 11 N 0.06 0.00 0.13 0.00 4.64 -1.86 -1.69 113.55 114.82 2x64 h SER 11 Ca 0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 2x64 h SER 11 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2x64 h SER 11 CO -0.02 0.00 -0.13 0.25 -0.87 0.00 0.00 176.83 176.06 2x64 h LEU 12 N 0.00 0.00 -0.51 5.97 5.85 -1.43 -2.16 115.31 123.02 2x64 h LEU 12 Ca 0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2x64 h LEU 12 Cb 0.30 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2x64 h LEU 12 CO 0.00 0.13 0.21 0.00 -0.34 0.00 0.00 178.44 178.44 2x64 h ALA 13 N 1.87 0.67 -0.25 1.25 0.00 -1.52 0.46 119.26 121.74 2x64 h ALA 13 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2x64 h ALA 13 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x64 h ALA 13 CO 0.02 0.27 -0.48 -0.44 0.00 0.00 0.00 179.25 178.62 2x64 h ASP 14 N 0.69 0.73 0.10 0.00 5.19 -1.65 -2.22 116.42 119.25 2x64 h ASP 14 Ca 0.17 -0.36 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2x64 h ASP 14 Cb 0.19 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2x64 h ASP 14 CO -0.02 1.09 -0.05 -0.74 -3.12 0.00 0.00 179.24 176.41 2x64 h HIS 15 N 0.53 -0.12 -0.24 4.55 2.76 -1.13 0.10 115.15 121.60 2x64 h HIS 15 Ca 0.03 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 2x64 h HIS 15 Cb 1.03 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.99 2x64 h HIS 15 CO 0.05 -0.03 -0.00 0.82 -1.30 0.00 0.00 177.93 177.47 2x64 h ILE 16 N -0.18 0.83 -0.76 6.26 2.04 -0.87 -2.62 117.51 122.20 2x64 h ILE 16 Ca -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2x64 h ILE 16 Cb 0.15 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2x64 h ILE 16 CO 0.02 0.01 0.36 0.25 0.00 0.00 0.00 178.15 178.79 2x64 h LEU 17 N 0.07 0.99 -0.89 1.44 5.85 -1.22 -1.77 115.31 119.78 2x64 h LEU 17 Ca 0.11 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2x64 h LEU 17 Cb 0.15 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2x64 h LEU 17 CO -0.19 0.85 0.54 -0.07 -0.34 0.00 0.00 178.44 179.23 2x64 h LEU 18 N 1.07 0.82 -0.52 2.25 3.38 -0.79 0.25 115.31 121.78 2x64 h LEU 18 Ca 0.26 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 2x64 h LEU 18 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2x64 h LEU 18 CO -0.03 0.50 -0.09 0.03 0.09 0.00 0.00 178.44 178.94 2x64 h ARG 19 N 0.94 0.98 -0.26 1.13 3.08 -1.10 -2.87 114.38 116.29 2x64 h ARG 19 Ca 0.41 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2x64 h ARG 19 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2x64 h ARG 19 CO -0.21 1.03 -0.17 -1.49 -1.07 0.00 0.00 179.97 178.06 2x64 h TRP 20 N 0.85 0.49 0.00 3.04 6.55 -0.54 -2.91 115.95 123.43 2x64 h TRP 20 Ca 0.14 -0.08 -0.03 0.00 0.95 0.00 0.00 58.89 59.86 2x64 h TRP 20 Cb 0.65 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.81 2x64 h TRP 20 CO 0.05 0.60 -0.16 0.66 -1.05 0.00 0.00 178.44 178.54 2x64 h SER 21 N 0.41 0.00 0.00 -3.49 4.64 -0.86 -3.48 113.55 110.78 2x64 h SER 21 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2x64 h SER 21 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2x64 h SER 21 CO 0.04 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2x64 n GLY 22 N 0.30 0.59 3.78 -0.77 0.00 -1.10 -4.55 105.19 103.44 2x64 n GLY 22 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2x64 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x64 s SER 23 N -2.17 5.82 0.24 1.61 0.01 -1.19 -5.05 113.70 112.97 2x64 s SER 23 Ca 0.00 2.05 -0.16 0.00 1.31 0.00 0.00 55.95 59.15 2x64 s SER 23 Cb 0.00 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2x64 s SER 23 CO 0.00 -1.15 0.67 -0.44 0.41 0.00 0.00 173.24 172.73 2x64 s SER 24 N -2.03 6.87 -0.04 2.44 0.01 -1.26 -4.77 113.70 114.91 2x64 s SER 24 Ca 0.70 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.91 2x64 s SER 24 Cb -0.21 -2.35 0.10 0.00 0.21 0.00 0.00 66.02 63.77 2x64 s SER 24 CO 0.28 -0.04 0.83 0.72 0.41 0.00 0.00 173.24 175.44 2x64 s PHE 25 N -1.68 -0.46 0.13 2.43 -0.12 -1.26 -4.03 117.98 112.98 2x64 s PHE 25 Ca 0.46 0.61 0.03 0.00 -0.05 0.00 0.00 56.93 57.97 2x64 s PHE 25 Cb -0.14 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 2x64 s PHE 25 CO 0.20 -0.54 0.19 -0.51 -0.05 0.00 0.00 175.22 174.50 2x64 s ASP 26 N -1.74 5.92 -0.10 1.98 1.01 0.78 -4.18 116.67 120.34 2x64 s ASP 26 Ca -0.02 0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.28 2x64 s ASP 26 Cb -0.01 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.21 2x64 s ASP 26 CO -0.01 0.10 -0.02 -0.76 0.21 0.00 0.00 175.17 174.69 2x64 s LEU 27 N -2.92 3.46 -0.24 1.23 1.43 -1.26 -0.74 118.68 119.64 2x64 s LEU 27 Ca 0.32 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2x64 s LEU 27 Cb -0.11 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.37 2x64 s LEU 27 CO 0.26 0.33 -0.10 -1.58 0.23 0.00 0.00 176.35 175.48 2x64 s GLN 28 N -0.59 2.12 -0.05 1.70 2.00 0.24 -4.91 119.66 120.18 2x64 s GLN 28 Ca 0.10 -1.18 -0.30 0.00 -2.00 0.00 0.00 55.36 51.97 2x64 s GLN 28 Cb -0.12 -2.75 -0.03 0.00 0.80 0.00 0.00 33.01 30.91 2x64 s GLN 28 CO 0.02 -0.54 1.07 -0.06 -0.50 0.00 0.00 175.29 175.28 2x64 s PHE 29 N 1.21 3.47 0.19 1.67 0.40 -1.26 -0.78 117.98 122.87 2x64 s PHE 29 Ca -0.07 1.50 0.10 0.00 -0.60 0.00 0.00 56.93 57.86 2x64 s PHE 29 Cb -0.19 -3.25 -0.04 0.00 0.51 0.00 0.00 43.02 40.04 2x64 s PHE 29 CO -0.06 -0.55 -0.22 -0.51 0.70 0.00 0.00 175.22 174.58 2x64 s LEU 30 N 1.68 2.44 0.48 -0.37 1.43 0.33 -4.95 118.68 119.72 2x64 s LEU 30 Ca 0.52 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2x64 s LEU 30 Cb -0.22 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 44.97 2x64 s LEU 30 CO 0.23 0.06 0.36 -1.81 0.23 0.00 0.00 176.35 175.42 2x64 s ASP 31 N -2.70 4.73 0.43 2.29 1.01 -1.26 -4.43 116.67 116.74 2x64 s ASP 31 Ca 0.19 -1.06 0.30 0.00 0.71 0.00 0.00 52.55 52.70 2x64 s ASP 31 Cb -0.07 -0.06 1.35 0.00 1.01 0.00 0.00 42.92 45.16 2x64 s ASP 31 CO 0.09 -0.86 1.90 0.45 0.21 0.00 0.00 175.17 176.95 2x64 h HIS 32 N 0.95 0.00 0.00 4.23 3.86 -2.00 -2.05 115.15 120.14 2x64 h HIS 32 Ca -0.39 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.65 2x64 h HIS 32 Cb 1.28 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.73 2x64 h HIS 32 CO 0.76 0.00 -1.03 0.37 0.86 0.00 0.00 177.93 178.90 2x64 h GLN 33 N 0.00 0.00 0.00 2.45 4.15 -1.99 -3.37 115.11 116.36 2x64 h GLN 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2x64 h GLN 33 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2x64 h GLN 33 CO 0.00 0.77 0.00 -1.13 -1.93 0.00 0.00 178.83 176.54 2x64 n SER 34 N -4.49 0.61 0.14 -0.69 3.41 -1.16 -2.15 113.62 109.30 2x64 n SER 34 Ca -0.25 0.67 0.02 0.00 -0.26 0.00 0.00 58.87 59.04 2x64 n SER 34 Cb 0.57 -0.79 0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2x64 n SER 34 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2x64 h MET 35 N 0.00 0.00 -0.07 4.33 4.05 -1.56 -3.17 114.93 118.51 2x64 h MET 35 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2x64 h MET 35 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2x64 h MET 35 CO 0.00 0.54 0.00 1.63 0.23 0.00 0.00 176.91 179.31 2x64 n LYS 36 N -3.36 2.16 -2.44 0.39 4.01 -0.91 -4.51 118.16 113.49 2x64 n LYS 36 Ca 0.01 -1.89 -0.35 0.00 -0.51 0.00 0.00 58.31 55.57 2x64 n LYS 36 Cb 0.69 -1.44 -0.02 0.00 -0.51 0.00 0.00 35.03 33.75 2x64 n LYS 36 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2x64 s ALA 37 N -1.82 2.86 0.50 7.82 0.00 -1.10 -4.89 121.76 125.14 2x64 s ALA 37 Ca 0.28 0.71 0.26 0.00 0.00 0.00 0.00 51.96 53.20 2x64 s ALA 37 Cb 0.19 -3.30 1.54 0.00 0.00 0.00 0.00 23.12 21.55 2x64 s ALA 37 CO 0.28 -0.45 2.15 -1.35 0.00 0.00 0.00 175.76 176.39 2x64 h PRO 38 N 1.63 0.00 -0.30 0.00 0.11 -1.94 -2.09 132.00 129.41 2x64 h PRO 38 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2x64 h PRO 38 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2x64 h PRO 38 CO 0.59 0.07 0.11 0.93 -0.21 0.00 0.00 178.00 179.49 2x64 h GLU 39 N 0.00 0.45 0.05 1.05 5.08 -1.93 -2.06 114.58 117.22 2x64 h GLU 39 Ca -0.00 -0.09 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 2x64 h GLU 39 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2x64 h GLU 39 CO 0.01 0.49 -1.05 -0.92 -1.00 0.00 0.00 179.01 176.54 2x64 h TYR 40 N 0.33 0.25 0.00 4.33 3.20 -1.78 -3.23 116.97 120.07 2x64 h TYR 40 Ca 0.10 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2x64 h TYR 40 Cb 0.21 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2x64 h TYR 40 CO -0.00 1.09 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.51 2x64 h LEU 41 N 0.05 0.00 -0.54 2.82 3.38 -1.31 0.16 115.31 119.87 2x64 h LEU 41 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2x64 h LEU 41 Cb 1.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2x64 h LEU 41 CO 0.16 0.02 -0.72 0.00 0.09 0.00 0.00 178.44 177.99 2x64 h ALA 42 N 1.98 0.78 0.01 1.53 0.00 -1.39 -2.82 119.26 119.35 2x64 h ALA 42 Ca -0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 2x64 h ALA 42 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2x64 h ALA 42 CO 0.00 0.87 -0.66 -0.07 0.00 0.00 0.00 179.25 179.39 2x64 h LEU 43 N 0.04 0.02 -7.37 0.00 3.38 -1.33 -3.44 115.31 106.61 2x64 h LEU 43 Ca -0.01 -0.76 -0.60 0.00 0.09 0.00 0.00 57.88 56.59 2x64 h LEU 43 Cb 1.27 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.62 2x64 h LEU 43 CO 0.10 1.26 -0.75 0.21 0.09 0.00 0.00 178.44 179.35 2x64 s ASN 44 N -6.56 4.13 0.60 -0.43 2.47 0.44 -4.91 114.94 110.69 2x64 s ASN 44 Ca -0.24 -1.66 0.38 0.00 0.42 0.00 0.00 52.86 51.77 2x64 s ASN 44 Cb 0.01 -1.09 1.89 0.00 -1.45 0.00 0.00 41.25 40.61 2x64 s ASN 44 CO 0.65 -0.37 2.18 -0.65 -3.72 0.00 0.00 177.10 175.19 2x64 h PRO 45 N 7.95 0.00 0.00 0.43 0.11 -1.74 -2.33 132.00 136.42 2x64 h PRO 45 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2x64 h PRO 45 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2x64 h PRO 45 CO 0.47 0.01 0.00 0.77 -0.21 0.00 0.00 178.00 179.04 2x64 h SER 46 N 0.00 0.00 -5.87 -2.05 0.02 -1.95 -3.47 113.55 100.23 2x64 h SER 46 Ca -0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 2x64 h SER 46 Cb 0.25 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.90 2x64 h SER 46 CO 0.00 0.00 -0.74 0.61 -1.14 0.00 0.00 176.83 175.56 2x64 n GLY 47 N -0.23 -0.44 3.01 -3.77 0.00 -0.88 -5.02 105.19 97.86 2x64 n GLY 47 Ca 0.01 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2x64 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x64 s ALA 48 N -3.38 0.23 0.17 4.61 0.00 -1.26 -4.68 121.76 117.45 2x64 s ALA 48 Ca 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2x64 s ALA 48 Cb -0.14 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2x64 s ALA 48 CO 0.75 -0.22 0.34 0.14 0.00 0.00 0.00 175.76 176.78 2x64 s VAL 49 N -2.15 5.25 0.66 0.00 -7.23 -1.26 -4.60 120.40 111.08 2x64 s VAL 49 Ca -0.10 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 59.53 2x64 s VAL 49 Cb -0.05 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2x64 s VAL 49 CO -0.04 -0.12 1.03 -2.16 -0.31 0.00 0.00 175.10 173.51 2x64 s PRO 50 N -3.22 2.90 -0.07 4.82 0.04 -1.26 -4.68 135.00 133.53 2x64 s PRO 50 Ca 0.37 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 2x64 s PRO 50 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.35 2x64 s PRO 50 CO 0.29 -0.91 0.17 0.00 0.04 0.00 0.00 177.00 176.59 2x64 s ALA 51 N -3.23 -0.37 -0.22 8.56 0.00 -1.22 -4.58 121.76 120.69 2x64 s ALA 51 Ca 0.57 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.22 2x64 s ALA 51 Cb -0.11 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2x64 s ALA 51 CO 0.50 -0.14 -0.14 -1.17 0.00 0.00 0.00 175.76 174.81 2x64 s LEU 52 N 0.85 2.77 -0.27 0.00 2.96 0.44 -0.52 118.68 124.91 2x64 s LEU 52 Ca -0.06 -0.90 -0.13 0.00 -0.22 0.00 0.00 54.13 52.82 2x64 s LEU 52 Cb -0.08 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2x64 s LEU 52 CO -0.05 -0.08 0.27 -1.58 -1.32 0.00 0.00 176.35 173.59 2x64 s GLN 53 N 1.25 4.00 -0.47 1.98 0.74 0.90 -0.63 119.66 127.43 2x64 s GLN 53 Ca 0.00 -0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.30 2x64 s GLN 53 Cb -0.16 -3.64 0.12 0.00 1.10 0.00 0.00 33.01 30.44 2x64 s GLN 53 CO -0.08 -0.18 0.22 0.08 -0.55 0.00 0.00 175.29 174.77 2x64 s VAL 54 N 1.78 2.74 0.00 1.34 1.01 0.51 -1.05 120.40 126.73 2x64 s VAL 54 Ca 0.11 -2.85 0.00 0.00 0.00 0.00 0.00 61.98 59.24 2x64 s VAL 54 Cb -0.16 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2x64 s VAL 54 CO 0.10 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.07 2x64 n GLY 55 N 3.65 2.76 0.06 4.51 0.00 -1.19 -2.16 105.19 112.82 2x64 n GLY 55 Ca 0.04 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2x64 n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x64 n ASP 56 N 9.40 0.58 -4.71 1.61 3.85 -1.26 -4.92 116.55 121.10 2x64 n ASP 56 Ca 0.00 0.04 -0.42 0.00 -0.71 0.00 0.00 54.79 53.70 2x64 n ASP 56 Cb 0.00 0.88 -0.03 0.00 -1.35 0.00 0.00 41.12 40.62 2x64 n ASP 56 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 2x64 s TRP 57 N -3.32 3.57 -0.26 2.11 -0.00 -0.92 -5.05 118.94 115.07 2x64 s TRP 57 Ca -0.00 1.57 -0.03 0.00 -0.00 0.00 0.00 56.10 57.64 2x64 s TRP 57 Cb 0.12 -3.21 0.02 0.00 -0.00 0.00 0.00 33.47 30.41 2x64 s TRP 57 CO 0.82 -0.40 -0.02 0.08 -0.00 0.00 0.00 176.95 177.42 2x64 s VAL 58 N 1.19 3.13 -0.08 5.86 1.01 -1.26 -0.36 120.40 129.89 2x64 s VAL 58 Ca 0.53 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 2x64 s VAL 58 Cb -0.23 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2x64 s VAL 58 CO 0.27 0.14 0.23 -0.22 0.00 0.00 0.00 175.10 175.52 2x64 s LEU 59 N 1.36 4.42 0.00 3.92 2.96 0.20 -4.95 118.68 126.59 2x64 s LEU 59 Ca 0.00 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 2x64 s LEU 59 Cb -0.17 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2x64 s LEU 59 CO -0.03 0.38 0.00 0.35 -1.32 0.00 0.00 176.35 175.74 2x64 n THR 60 N 1.92 0.00 -3.04 3.68 -2.24 -1.26 -0.42 114.28 112.92 2x64 n THR 60 Ca -0.18 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 2x64 n THR 60 Cb 0.54 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 2x64 n THR 60 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2x64 s GLN 61 N -1.87 4.46 0.19 -0.78 -1.52 -1.26 -4.47 119.66 114.40 2x64 s GLN 61 Ca 0.00 1.01 -0.19 0.00 -1.95 0.00 0.00 55.36 54.23 2x64 s GLN 61 Cb 0.00 -3.33 0.16 0.00 -0.22 0.00 0.00 33.01 29.62 2x64 s GLN 61 CO 0.00 0.38 1.60 -0.97 -0.25 0.00 0.00 175.29 176.05 2x64 h ASN 62 N 5.29 -0.98 -0.77 5.90 -1.24 -1.94 0.37 115.58 122.21 2x64 h ASN 62 Ca -0.45 0.21 0.06 0.00 0.71 0.00 0.00 56.30 56.83 2x64 h ASN 62 Cb 1.21 0.52 -0.06 0.00 0.73 0.00 0.00 38.32 40.71 2x64 h ASN 62 CO 0.69 -0.28 0.47 0.00 -1.29 0.00 0.00 177.43 177.02 2x64 h ALA 63 N 1.17 1.05 -0.24 1.57 0.00 -1.95 0.12 119.26 120.98 2x64 h ALA 63 Ca 0.25 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2x64 h ALA 63 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2x64 h ALA 63 CO -0.66 0.19 -0.15 0.00 0.00 0.00 0.00 179.25 178.63 2x64 h ALA 64 N 1.37 0.35 -0.06 0.00 0.00 -1.50 -2.40 119.26 117.01 2x64 h ALA 64 Ca 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2x64 h ALA 64 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x64 h ALA 64 CO -0.17 0.24 0.03 0.82 0.00 0.00 0.00 179.25 180.17 2x64 h ILE 65 N 0.25 1.10 -0.72 0.00 2.04 0.03 0.01 117.51 120.23 2x64 h ILE 65 Ca 0.05 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2x64 h ILE 65 Cb 0.68 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 2x64 h ILE 65 CO 0.04 0.08 0.42 -0.07 0.00 0.00 0.00 178.15 178.63 2x64 h LEU 66 N -0.02 0.65 -0.52 1.44 3.38 -0.82 -0.07 115.31 119.36 2x64 h LEU 66 Ca 0.02 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2x64 h LEU 66 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x64 h LEU 66 CO -0.00 0.43 -0.39 0.78 0.09 0.00 0.00 178.44 179.34 2x64 h ASN 67 N 0.79 0.82 -0.04 -0.43 2.35 -1.23 -2.04 115.58 115.79 2x64 h ASN 67 Ca 0.31 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2x64 h ASN 67 Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2x64 h ASN 67 CO -0.16 1.11 0.02 0.22 -1.65 0.00 0.00 177.43 176.96 2x64 h TYR 68 N 0.63 0.06 -0.46 1.19 3.20 -0.57 -0.33 116.97 120.69 2x64 h TYR 68 Ca 0.05 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.97 2x64 h TYR 68 Cb 0.95 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 2x64 h TYR 68 CO 0.05 0.18 0.19 0.82 -1.64 0.00 0.00 178.16 177.77 2x64 h ILE 69 N -0.08 0.90 -0.31 1.81 2.04 -0.99 -1.68 117.51 119.19 2x64 h ILE 69 Ca 0.01 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2x64 h ILE 69 Cb 0.15 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2x64 h ILE 69 CO -0.00 0.07 0.05 0.74 0.00 0.00 0.00 178.15 179.01 2x64 h THR 70 N 0.39 0.83 -0.55 -0.27 2.02 -1.18 -1.68 112.91 112.47 2x64 h THR 70 Ca 0.21 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2x64 h THR 70 Cb 0.18 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2x64 h THR 70 CO -0.19 0.03 0.25 0.44 0.37 0.00 0.00 175.52 176.42 2x64 h ASP 71 N 0.16 0.70 1.28 4.18 3.32 -0.41 -2.94 116.42 122.71 2x64 h ASP 71 Ca 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2x64 h ASP 71 Cb 0.17 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2x64 h ASP 71 CO -0.20 0.61 -0.65 0.16 -1.72 0.00 0.00 179.24 177.43 2x64 h ILE 72 N 0.77 0.00 -3.89 0.35 3.07 -1.12 -3.48 117.51 113.22 2x64 h ILE 72 Ca 0.19 -0.93 -0.53 0.00 1.55 0.00 0.00 64.86 65.15 2x64 h ILE 72 Cb 0.10 1.59 0.08 0.00 -0.27 0.00 0.00 36.82 38.32 2x64 h ILE 72 CO -0.02 0.00 0.69 0.00 -1.05 0.00 0.00 178.15 177.77 2x64 s ALA 73 N -3.29 3.53 0.33 0.16 0.00 -0.65 -4.97 121.76 116.87 2x64 s ALA 73 Ca 0.03 1.38 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 2x64 s ALA 73 Cb 0.09 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 2x64 s ALA 73 CO 0.74 -0.80 1.45 -2.14 0.00 0.00 0.00 175.76 175.01 2x64 s PRO 74 N -1.86 4.20 0.46 0.00 0.02 -1.26 -4.88 135.00 131.68 2x64 s PRO 74 Ca 0.51 2.44 0.27 0.00 0.02 0.00 0.00 61.00 64.23 2x64 s PRO 74 Cb -0.42 -3.03 1.32 0.00 0.02 0.00 0.00 34.50 32.39 2x64 s PRO 74 CO 0.56 -0.44 1.76 0.00 -0.33 0.00 0.00 177.00 178.56 2x64 h ALA 75 N 3.68 2.64 0.00 -1.55 0.00 -1.94 -0.62 119.26 121.47 2x64 h ALA 75 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2x64 h ALA 75 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x64 h ALA 75 CO 0.69 -1.06 0.00 1.05 0.00 0.00 0.00 179.25 179.93 2x64 h GLU 76 N 0.21 0.00 0.00 0.00 9.09 -2.00 -1.62 114.58 120.25 2x64 h GLU 76 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 2x64 h GLU 76 Cb 1.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.05 2x64 h GLU 76 CO -0.20 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.86 2x64 h ARG 77 N 0.00 0.00 -3.79 1.06 2.47 -1.47 -3.47 114.38 109.18 2x64 h ARG 77 Ca 0.00 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.40 2x64 h ARG 77 Cb 0.08 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 28.46 2x64 h ARG 77 CO 0.00 0.00 -0.49 0.41 0.56 0.00 0.00 179.97 180.45 2x64 n GLY 78 N 0.36 -0.25 0.28 0.04 0.00 -0.61 -4.95 105.19 100.05 2x64 n GLY 78 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2x64 n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x64 n LEU 79 N -3.35 1.34 -0.57 0.99 4.77 -1.26 -4.12 117.00 114.80 2x64 n LEU 79 Ca -0.07 -0.45 0.06 0.00 -0.03 0.00 0.00 56.01 55.51 2x64 n LEU 79 Cb 0.59 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.76 2x64 n LEU 79 CO 0.39 0.26 0.63 -1.54 -1.33 0.00 0.00 177.39 175.80 2x64 n SER 80 N -0.64 2.98 0.00 -1.43 3.41 -1.26 -4.68 113.62 112.00 2x64 n SER 80 Ca 0.09 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 2x64 n SER 80 Cb 0.39 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2x64 n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x64 n GLY 81 N 0.00 2.89 0.08 5.00 0.00 -1.26 -1.30 105.19 110.61 2x64 n GLY 81 Ca 0.12 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.03 2x64 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x64 n ASP 82 N 4.49 0.27 0.00 1.61 5.68 -1.26 -4.90 116.55 122.44 2x64 n ASP 82 Ca 0.00 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 2x64 n ASP 82 Cb 0.00 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2x64 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x64 n GLY 83 N 1.08 0.69 3.77 6.12 0.00 -0.42 -5.04 105.19 111.39 2x64 n GLY 83 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2x64 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x64 s SER 84 N -2.42 3.05 0.15 1.61 1.04 -1.26 -4.85 113.70 111.02 2x64 s SER 84 Ca 0.00 0.83 -0.15 0.00 0.48 0.00 0.00 55.95 57.11 2x64 s SER 84 Cb 0.00 -1.28 0.03 0.00 0.10 0.00 0.00 66.02 64.87 2x64 s SER 84 CO 0.00 -2.83 1.75 -0.07 0.98 0.00 0.00 173.24 173.07 2x64 h LEU 85 N -1.69 0.59 -0.56 2.42 3.38 -1.97 -1.56 115.31 115.91 2x64 h LEU 85 Ca -0.49 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 2x64 h LEU 85 Cb 1.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2x64 h LEU 85 CO 0.55 0.53 0.21 0.50 0.09 0.00 0.00 178.44 180.31 2x64 h LYS 86 N 0.61 0.85 -0.59 1.13 3.64 -1.98 -1.32 116.57 118.91 2x64 h LYS 86 Ca 0.16 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2x64 h LYS 86 Cb 0.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2x64 h LYS 86 CO -0.02 0.75 0.32 0.00 -2.27 0.00 0.00 179.45 178.22 2x64 h ALA 87 N 1.06 0.76 -0.10 5.00 0.00 -1.82 -0.64 119.26 123.52 2x64 h ALA 87 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2x64 h ALA 87 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2x64 h ALA 87 CO -0.01 0.29 -0.57 0.00 0.00 0.00 0.00 179.25 178.96 2x64 h ARG 88 N 0.80 0.32 -0.34 0.00 3.08 -1.16 -2.60 114.38 114.48 2x64 h ARG 88 Ca 0.21 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 2x64 h ARG 88 Cb 0.06 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2x64 h ARG 88 CO -0.03 0.80 -0.34 0.00 -1.07 0.00 0.00 179.97 179.32 2x64 h ALA 89 N 1.16 0.77 -0.47 0.04 0.00 -1.01 -1.09 119.26 118.66 2x64 h ALA 89 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2x64 h ALA 89 Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2x64 h ALA 89 CO 0.09 0.65 -0.07 0.93 0.00 0.00 0.00 179.25 180.86 2x64 h GLU 90 N 0.63 0.88 -0.15 0.00 4.39 -1.03 -0.81 114.58 118.48 2x64 h GLU 90 Ca 0.06 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 2x64 h GLU 90 Cb 0.88 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2x64 h GLU 90 CO 0.08 0.95 0.03 0.82 -1.16 0.00 0.00 179.01 179.73 2x64 h ILE 91 N 0.72 1.21 -0.79 3.13 2.04 -1.38 -2.98 117.51 119.46 2x64 h ILE 91 Ca 0.13 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2x64 h ILE 91 Cb 0.60 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2x64 h ILE 91 CO 0.04 0.20 0.51 0.78 0.00 0.00 0.00 178.15 179.67 2x64 h ASN 92 N 0.04 0.86 -0.64 1.72 2.35 -1.10 -0.05 115.58 118.75 2x64 h ASN 92 Ca 0.05 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2x64 h ASN 92 Cb 0.27 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2x64 h ASN 92 CO 0.00 0.60 0.06 0.08 -1.65 0.00 0.00 177.43 176.52 2x64 h ARG 93 N 1.01 1.09 0.00 0.81 0.11 -1.15 -0.25 114.38 116.01 2x64 h ARG 93 Ca 0.30 -0.32 -0.17 0.00 0.10 0.00 0.00 59.98 59.90 2x64 h ARG 93 Cb -0.04 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 30.91 2x64 h ARG 93 CO -0.09 1.03 -0.79 -1.49 0.10 0.00 0.00 179.97 178.72 2x64 h TRP 94 N 1.00 0.00 -0.25 4.08 4.06 -1.34 -1.30 115.95 122.21 2x64 h TRP 94 Ca 0.19 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.10 2x64 h TRP 94 Cb 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 2x64 h TRP 94 CO 0.04 0.79 -0.01 0.82 -3.56 0.00 0.00 178.44 176.52 2x64 h ILE 95 N 0.00 1.26 -0.06 1.49 2.04 -0.88 -2.97 117.51 118.39 2x64 h ILE 95 Ca -0.01 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2x64 h ILE 95 Cb 1.42 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2x64 h ILE 95 CO 0.10 0.29 -0.17 0.00 0.00 0.00 0.00 178.15 178.38 2x64 h ALA 96 N 0.80 1.62 -0.19 1.87 0.00 -0.96 0.41 119.26 122.80 2x64 h ALA 96 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2x64 h ALA 96 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2x64 h ALA 96 CO 0.02 0.28 0.09 0.35 0.00 0.00 0.00 179.25 179.99 2x64 h PHE 97 N 0.09 0.27 -0.10 0.00 3.57 -1.14 0.15 116.94 119.77 2x64 h PHE 97 Ca 0.02 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 2x64 h PHE 97 Cb 0.35 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.01 2x64 h PHE 97 CO 0.00 0.28 -0.51 0.77 -2.23 0.00 0.00 178.31 176.63 2x64 h SER 98 N 0.18 0.62 -0.02 0.41 0.02 -1.32 -0.11 113.55 113.34 2x64 h SER 98 Ca 0.07 -0.64 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2x64 h SER 98 Cb 0.11 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2x64 h SER 98 CO -0.01 1.16 0.01 -1.13 -1.14 0.00 0.00 176.83 175.72 2x64 h ASN 99 N 0.13 0.02 0.00 3.07 -0.00 -0.88 0.39 115.58 118.31 2x64 h ASN 99 Ca -0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.11 2x64 h ASN 99 Cb 1.15 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.46 2x64 h ASN 99 CO 0.10 0.18 -0.86 -1.54 -0.00 0.00 0.00 177.43 175.31 2x64 n SER 100 N -5.00 1.13 -0.06 1.15 3.41 0.50 -4.33 113.62 110.43 2x64 n SER 100 Ca -0.07 -0.51 -0.13 0.00 -0.26 0.00 0.00 58.87 57.90 2x64 n SER 100 Cb 0.10 1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 2x64 n SER 100 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2x64 n ASP 101 N -1.48 1.21 0.11 4.04 8.00 -0.86 -4.67 116.55 122.89 2x64 n ASP 101 Ca 0.01 0.20 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 2x64 n ASP 101 Cb 0.22 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 2x64 n ASP 101 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2x64 h VAL 102 N -0.54 0.00 -0.42 2.53 2.07 -1.01 -3.32 116.25 115.56 2x64 h VAL 102 Ca -0.27 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 66.82 2x64 h VAL 102 Cb 1.10 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 2x64 h VAL 102 CO -0.16 0.00 -0.25 -0.74 0.02 0.00 0.00 177.57 176.43 2x64 h HIS 103 N -0.86 -0.67 0.00 1.57 -0.00 -0.43 -1.83 115.15 112.94 2x64 h HIS 103 Ca -0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2x64 h HIS 103 Cb 0.26 0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 2x64 h HIS 103 CO 0.02 -0.33 -0.02 -1.35 -0.00 0.00 0.00 177.93 176.25 2x64 h PRO 104 N -0.18 0.00 0.00 5.26 0.11 -1.75 -1.57 132.00 133.87 2x64 h PRO 104 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2x64 h PRO 104 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2x64 h PRO 104 CO -0.52 0.02 0.00 1.98 -0.21 0.00 0.00 178.00 179.26 2x64 h MET 105 N 0.00 0.00 0.00 1.05 4.05 -1.43 -2.52 114.93 116.08 2x64 h MET 105 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2x64 h MET 105 Cb 0.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2x64 h MET 105 CO 0.00 0.00 -0.17 0.66 0.23 0.00 0.00 176.91 177.64 2x64 n TYR 106 N -2.48 0.30 -0.24 1.39 4.01 -0.59 -4.30 117.16 115.25 2x64 n TYR 106 Ca 0.02 0.09 0.04 0.00 -0.16 0.00 0.00 57.90 57.89 2x64 n TYR 106 Cb 0.26 -0.58 0.15 0.00 -0.31 0.00 0.00 39.34 38.86 2x64 n TYR 106 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 2x64 h TRP 107 N 0.00 0.10 0.00 -0.72 6.55 -1.58 -0.25 115.95 120.06 2x64 h TRP 107 Ca 0.00 0.05 -0.07 0.00 0.95 0.00 0.00 58.89 59.82 2x64 h TRP 107 Cb 0.59 0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 28.94 2x64 h TRP 107 CO 0.00 -0.15 -0.34 0.00 -1.05 0.00 0.00 178.44 176.90 2x64 h ALA 108 N 1.62 1.28 -0.00 1.49 0.00 -1.83 0.15 119.26 121.98 2x64 h ALA 108 Ca 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2x64 h ALA 108 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2x64 h ALA 108 CO -0.56 0.43 -0.05 1.28 0.00 0.00 0.00 179.25 180.35 2x64 n LEU 109 N -3.91 0.09 -1.90 0.00 4.77 -0.17 -3.73 117.00 112.15 2x64 n LEU 109 Ca -0.02 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2x64 n LEU 109 Cb 0.41 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2x64 n LEU 109 CO 0.37 0.02 0.17 0.49 -1.33 0.00 0.00 177.39 177.11 2x64 n PHE 110 N -1.35 1.78 -0.99 -1.77 3.72 -0.79 -4.97 117.46 113.10 2x64 n PHE 110 Ca 0.11 -1.97 0.00 0.00 -0.05 0.00 0.00 57.45 55.54 2x64 n PHE 110 Cb 0.29 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2x64 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x64 n GLY 111 N -0.68 0.51 0.22 1.37 0.00 -1.22 -4.95 105.19 100.45 2x64 n GLY 111 Ca 0.30 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.47 2x64 n GLY 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x64 h GLY 112 N 0.00 0.00 -1.37 -0.02 0.00 -0.92 -2.98 103.07 97.78 2x64 h GLY 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x64 h GLY 112 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2x64 n THR 113 N -2.74 1.83 0.26 4.70 -2.24 -1.26 -4.67 114.28 110.16 2x64 n THR 113 Ca 0.01 -1.60 0.10 0.00 -2.27 0.00 0.00 64.05 60.29 2x64 n THR 113 Cb 0.25 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 69.18 2x64 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x64 h ALA 114 N 1.73 1.57 -0.14 6.98 0.00 -1.90 -2.37 119.26 125.13 2x64 h ALA 114 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2x64 h ALA 114 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2x64 h ALA 114 CO 0.14 0.12 0.27 0.10 0.00 0.00 0.00 179.25 179.87 2x64 h TYR 115 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -1.27 116.97 113.85 2x64 h TYR 115 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 2x64 h TYR 115 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2x64 h TYR 115 CO 0.00 0.00 -0.49 -0.07 -0.00 0.00 0.00 178.16 177.60 2x64 h LEU 116 N 0.00 0.00 0.00 0.10 3.38 -1.81 -3.47 115.31 113.52 2x64 h LEU 116 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x64 h LEU 116 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2x64 h LEU 116 CO -0.00 0.49 0.00 1.67 0.09 0.00 0.00 178.44 180.69 2x64 n GLN 117 N -3.79 0.00 -1.89 1.13 -0.06 -0.48 -4.91 117.38 107.39 2x64 n GLN 117 Ca -0.01 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.56 2x64 n GLN 117 Cb 0.53 -0.25 -0.03 0.00 -4.06 0.00 0.00 30.24 26.44 2x64 n GLN 117 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2x64 s ASP 118 N 0.00 6.39 0.27 1.69 -1.08 -1.26 -4.93 116.67 117.74 2x64 s ASP 118 Ca 0.00 2.17 -0.02 0.00 -0.52 0.00 0.00 52.55 54.18 2x64 s ASP 118 Cb 0.00 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.35 2x64 s ASP 118 CO 0.00 -1.17 1.87 -0.65 0.52 0.00 0.00 175.17 175.74 2x64 h PRO 119 N 10.81 1.11 -0.67 4.34 0.11 -1.99 -1.46 132.00 144.24 2x64 h PRO 119 Ca -0.41 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2x64 h PRO 119 Cb 1.20 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 2x64 h PRO 119 CO 0.96 0.73 0.25 0.37 -0.21 0.00 0.00 178.00 180.10 2x64 h GLN 120 N 1.14 1.01 -0.39 1.05 4.15 -1.99 -1.23 115.11 118.86 2x64 h GLN 120 Ca 0.44 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.57 2x64 h GLN 120 Cb 0.21 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2x64 h GLN 120 CO -0.19 0.86 -0.13 0.52 -1.93 0.00 0.00 178.83 177.96 2x64 h MET 121 N 0.95 0.77 -0.52 1.69 2.86 -1.84 -1.50 114.93 117.34 2x64 h MET 121 Ca 0.22 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2x64 h MET 121 Cb 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2x64 h MET 121 CO -0.01 0.93 0.26 0.82 1.06 0.00 0.00 176.91 179.97 2x64 h ILE 122 N 0.58 1.19 -0.74 -1.22 2.04 -1.18 -1.88 117.51 116.29 2x64 h ILE 122 Ca 0.09 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2x64 h ILE 122 Cb 0.66 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2x64 h ILE 122 CO 0.05 0.21 0.30 0.00 0.00 0.00 0.00 178.15 178.70 2x64 h ALA 123 N 1.10 1.14 -0.73 1.87 0.00 -1.15 -1.85 119.26 119.64 2x64 h ALA 123 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2x64 h ALA 123 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2x64 h ALA 123 CO -0.03 0.62 0.27 0.00 0.00 0.00 0.00 179.25 180.12 2x64 h ARG 124 N 1.07 1.11 -0.38 0.00 3.08 -0.92 -0.30 114.38 118.04 2x64 h ARG 124 Ca 0.25 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2x64 h ARG 124 Cb 0.19 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2x64 h ARG 124 CO -0.02 0.93 -0.09 0.66 -1.07 0.00 0.00 179.97 180.38 2x64 h SER 125 N 1.07 0.63 -0.21 7.04 4.64 -1.05 -1.05 113.55 124.63 2x64 h SER 125 Ca 0.24 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 61.24 2x64 h SER 125 Cb 0.25 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2x64 h SER 125 CO -0.02 0.76 -0.46 1.56 -0.87 0.00 0.00 176.83 177.81 2x64 h GLN 126 N 0.60 0.68 -0.44 4.77 4.20 -0.97 -2.22 115.11 121.73 2x64 h GLN 126 Ca 0.11 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2x64 h GLN 126 Cb 0.51 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2x64 h GLN 126 CO 0.03 1.07 0.22 -0.44 -0.67 0.00 0.00 178.83 179.04 2x64 h ASP 127 N 0.38 0.56 -0.28 1.46 3.32 -0.91 -1.68 116.42 119.28 2x64 h ASP 127 Ca 0.00 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.96 2x64 h ASP 127 Cb 1.07 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2x64 h ASP 127 CO 0.10 0.52 0.14 -1.13 -1.72 0.00 0.00 179.24 177.15 2x64 h ASN 128 N 0.57 0.20 -0.57 6.45 -1.24 -1.19 -0.92 115.58 118.88 2x64 h ASN 128 Ca 0.15 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.22 2x64 h ASN 128 Cb 0.09 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 2x64 h ASN 128 CO -0.02 0.16 0.31 0.00 -1.29 0.00 0.00 177.43 176.58 2x64 h ALA 129 N 1.15 0.74 -0.62 1.57 0.00 -1.19 -1.14 119.26 119.76 2x64 h ALA 129 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2x64 h ALA 129 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2x64 h ALA 129 CO -0.08 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.28 2x64 h ARG 130 N 0.59 0.98 -0.23 0.00 3.08 -0.96 -1.01 114.38 116.82 2x64 h ARG 130 Ca 0.25 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 2x64 h ARG 130 Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2x64 h ARG 130 CO -0.16 0.88 -0.39 1.96 -1.07 0.00 0.00 179.97 181.19 2x64 h GLN 131 N 0.93 0.68 -0.37 0.04 4.20 -0.84 -2.14 115.11 117.61 2x64 h GLN 131 Ca 0.20 -0.42 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 2x64 h GLN 131 Cb 0.35 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2x64 h GLN 131 CO 0.00 1.03 -0.31 0.87 -0.67 0.00 0.00 178.83 179.76 2x64 h LYS 132 N 0.39 0.80 -0.48 1.46 1.79 -1.12 -2.89 116.57 116.51 2x64 h LYS 132 Ca 0.02 -0.37 -0.11 0.00 -2.18 0.00 0.00 60.65 58.01 2x64 h LYS 132 Cb 0.98 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 2x64 h LYS 132 CO 0.09 1.00 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.25 2x64 h LEU 133 N 0.68 0.91 -0.54 2.94 3.38 -1.23 -2.25 115.31 119.20 2x64 h LEU 133 Ca 0.07 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2x64 h LEU 133 Cb 0.85 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2x64 h LEU 133 CO 0.07 1.05 0.28 -0.09 0.09 0.00 0.00 178.44 179.85 2x64 h ARG 134 N 0.81 0.53 -0.29 1.13 9.65 -1.29 0.04 114.38 124.96 2x64 h ARG 134 Ca 0.13 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2x64 h ARG 134 Cb 0.67 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2x64 h ARG 134 CO 0.05 0.35 0.15 0.28 2.80 0.00 0.00 179.97 183.60 2x64 h VAL 135 N 0.54 1.14 -0.69 0.20 2.07 -1.35 -1.73 116.25 116.43 2x64 h VAL 135 Ca 0.24 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2x64 h VAL 135 Cb 0.14 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2x64 h VAL 135 CO -0.16 0.15 0.28 -0.07 0.02 0.00 0.00 177.57 177.78 2x64 h LEU 136 N 0.35 0.95 -0.93 2.57 3.38 -1.04 -2.72 115.31 117.88 2x64 h LEU 136 Ca 0.10 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2x64 h LEU 136 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2x64 h LEU 136 CO -0.01 0.86 -0.32 1.88 0.09 0.00 0.00 178.44 180.94 2x64 h TYR 137 N 0.99 0.00 -0.37 1.13 0.05 -0.84 -2.33 116.97 115.59 2x64 h TYR 137 Ca 0.23 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.92 2x64 h TYR 137 Cb 0.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2x64 h TYR 137 CO 0.01 0.32 -0.14 1.96 -1.05 0.00 0.00 178.16 179.26 2x64 h GLN 138 N 0.00 0.74 -0.05 4.88 4.20 -1.06 0.48 115.11 124.32 2x64 h GLN 138 Ca -0.00 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.41 2x64 h GLN 138 Cb 0.87 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 2x64 h GLN 138 CO 0.04 0.92 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.98 2x64 h ARG 139 N 0.54 -0.06 -0.70 1.46 2.43 -1.32 0.23 114.38 116.96 2x64 h ARG 139 Ca 0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2x64 h ARG 139 Cb 0.67 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2x64 h ARG 139 CO 0.05 -0.04 0.31 0.00 -1.51 0.00 0.00 179.97 178.77 2x64 h ALA 140 N 0.98 0.91 -0.57 2.80 0.00 -1.31 -2.10 119.26 119.97 2x64 h ALA 140 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2x64 h ALA 140 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2x64 h ALA 140 CO -0.09 0.50 0.17 0.22 0.00 0.00 0.00 179.25 180.06 2x64 h ASP 141 N 0.99 0.83 -0.58 0.00 3.58 -0.50 -0.33 116.42 120.41 2x64 h ASP 141 Ca 0.24 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2x64 h ASP 141 Cb 0.17 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2x64 h ASP 141 CO -0.02 0.82 0.27 0.00 -2.88 0.00 0.00 179.24 177.43 2x64 h ALA 142 N 1.04 1.33 -0.27 -0.78 0.00 -0.31 -1.46 119.26 118.81 2x64 h ALA 142 Ca 0.18 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2x64 h ALA 142 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2x64 h ALA 142 CO -0.01 0.51 -0.41 1.25 0.00 0.00 0.00 179.25 180.60 2x64 h HIS 143 N 0.87 0.94 0.00 0.00 -0.00 -1.14 -3.17 115.15 112.66 2x64 h HIS 143 Ca 0.21 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2x64 h HIS 143 Cb 0.13 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 2x64 h HIS 143 CO 0.01 1.10 0.00 1.28 -0.00 0.00 0.00 177.93 180.32 2x64 n LEU 144 N -4.16 0.45 0.11 0.26 4.77 -0.16 -2.77 117.00 115.50 2x64 n LEU 144 Ca -0.04 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 2x64 n LEU 144 Cb 0.55 -0.49 0.38 0.00 -2.33 0.00 0.00 43.42 41.54 2x64 n LEU 144 CO 0.47 -0.31 0.90 0.11 -1.33 0.00 0.00 177.39 177.23 2x64 h LYS 145 N 0.00 0.26 -0.07 3.23 1.57 -1.24 -3.17 116.57 117.14 2x64 h LYS 145 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2x64 h LYS 145 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2x64 h LYS 145 CO 0.00 0.39 0.00 0.72 -0.57 0.00 0.00 179.45 179.99 2x64 n HIS 146 N -4.28 0.09 -3.81 -1.35 -0.00 -1.18 -5.02 115.22 99.68 2x64 n HIS 146 Ca -0.01 -0.45 -0.13 0.00 -0.00 0.00 0.00 57.72 57.13 2x64 n HIS 146 Cb 0.26 -0.04 -0.14 0.00 -0.00 0.00 0.00 29.99 30.07 2x64 n HIS 146 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2x64 s HIS 147 N -0.93 -0.06 0.09 4.41 3.76 -1.11 -5.05 115.29 116.41 2x64 s HIS 147 Ca 0.05 0.21 -0.20 0.00 -0.15 0.00 0.00 55.06 54.97 2x64 s HIS 147 Cb 0.03 -0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.55 2x64 s HIS 147 CO 0.03 -0.07 1.62 -0.91 -0.85 0.00 0.00 174.74 174.56 2x64 h ASN 148 N 6.64 0.27 -3.76 1.40 2.35 -1.88 -3.40 115.58 117.19 2x64 h ASN 148 Ca -0.34 -0.17 -0.38 0.00 -0.55 0.00 0.00 56.30 54.86 2x64 h ASN 148 Cb 1.17 -0.07 -0.14 0.00 0.05 0.00 0.00 38.32 39.33 2x64 h ASN 148 CO 0.47 0.37 -0.69 0.26 -1.65 0.00 0.00 177.43 176.19 2x64 s TRP 149 N -5.51 1.49 0.09 1.19 0.52 -1.26 -4.98 118.94 110.47 2x64 s TRP 149 Ca -0.14 -0.80 -0.21 0.00 0.02 0.00 0.00 56.10 54.97 2x64 s TRP 149 Cb 0.07 -0.81 -0.11 0.00 -1.15 0.00 0.00 33.47 31.48 2x64 s TRP 149 CO 0.71 0.08 1.65 -0.07 0.02 0.00 0.00 176.95 179.34 2x64 h LEU 150 N 2.59 0.18 -8.69 2.99 3.38 -1.88 -3.40 115.31 110.47 2x64 h LEU 150 Ca -0.38 -0.12 -0.68 0.00 0.09 0.00 0.00 57.88 56.79 2x64 h LEU 150 Cb 1.21 -0.05 -0.27 0.00 0.09 0.00 0.00 40.66 41.65 2x64 h LEU 150 CO 0.64 0.25 -0.80 0.00 0.09 0.00 0.00 178.44 178.62 2x64 s ALA 151 N -5.71 2.50 -1.50 1.53 0.00 -1.26 -4.76 121.76 112.55 2x64 s ALA 151 Ca -0.14 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2x64 s ALA 151 Cb 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2x64 s ALA 151 CO 0.69 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.96 2x64 n ASN 152 N 2.86 -4.37 -1.59 0.00 3.02 -1.26 -2.47 115.26 111.45 2x64 n ASN 152 Ca -0.18 0.35 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 2x64 n ASN 152 Cb 0.52 -3.77 -0.08 0.00 -0.61 0.00 0.00 39.78 35.84 2x64 n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x64 n GLY 153 N -0.16 1.73 2.97 7.41 0.00 -1.26 -4.98 105.19 110.91 2x64 n GLY 153 Ca -0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 2x64 n GLY 153 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x64 s GLN 154 N -3.80 0.42 0.54 1.61 0.74 -1.03 -4.62 119.66 113.52 2x64 s GLN 154 Ca 0.00 -0.29 -0.22 0.00 0.05 0.00 0.00 55.36 54.90 2x64 s GLN 154 Cb 0.00 -0.36 -0.05 0.00 1.10 0.00 0.00 33.01 33.70 2x64 s GLN 154 CO 0.00 0.09 1.30 -0.98 -0.55 0.00 0.00 175.29 175.15 2x64 s ARG 155 N -0.41 3.22 0.31 1.67 1.70 -1.26 -4.47 118.95 119.70 2x64 s ARG 155 Ca -0.01 2.09 -0.07 0.00 -0.47 0.00 0.00 55.73 57.28 2x64 s ARG 155 Cb -0.04 -2.24 0.03 0.00 -0.57 0.00 0.00 34.95 32.13 2x64 s ARG 155 CO -0.00 -1.08 0.52 -1.13 -1.08 0.00 0.00 175.30 172.53 2x64 n SER 156 N -1.01 -1.48 0.29 -2.89 3.41 -1.26 -4.43 113.62 106.24 2x64 n SER 156 Ca 0.10 -2.44 0.14 0.00 -0.26 0.00 0.00 58.87 56.41 2x64 n SER 156 Cb 0.46 2.59 0.85 0.00 -0.26 0.00 0.00 64.21 67.86 2x64 n SER 156 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x64 h GLY 157 N 1.62 0.00 0.97 5.00 0.00 -1.91 -2.13 103.07 106.63 2x64 h GLY 157 Ca -0.25 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2x64 h GLY 157 CO 0.33 0.00 0.27 0.00 0.00 0.00 0.00 176.54 177.13 2x64 h ALA 158 N 1.97 0.53 -0.29 3.60 0.00 -1.89 -1.24 119.26 121.94 2x64 h ALA 158 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2x64 h ALA 158 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2x64 h ALA 158 CO 0.00 -0.03 -0.03 -0.44 0.00 0.00 0.00 179.25 178.75 2x64 h ASP 159 N 0.55 0.53 -0.57 0.00 3.32 -1.75 -1.41 116.42 117.08 2x64 h ASP 159 Ca 0.16 -0.33 0.05 0.00 0.02 0.00 0.00 57.03 56.93 2x64 h ASP 159 Cb -0.04 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2x64 h ASP 159 CO -0.05 0.74 0.30 0.00 -1.72 0.00 0.00 179.24 178.51 2x64 h ALA 160 N 0.81 0.74 -0.02 3.45 0.00 -1.38 -1.40 119.26 121.46 2x64 h ALA 160 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x64 h ALA 160 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2x64 h ALA 160 CO 0.02 -0.04 0.00 -0.92 0.00 0.00 0.00 179.25 178.31 2x64 h TYR 161 N 0.57 0.05 -0.63 0.00 5.03 -1.13 -2.67 116.97 118.19 2x64 h TYR 161 Ca 0.25 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.61 2x64 h TYR 161 Cb 0.15 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.37 2x64 h TYR 161 CO -0.09 0.34 0.34 1.25 -1.32 0.00 0.00 178.16 178.67 2x64 h LEU 162 N -0.26 0.49 -0.79 2.82 5.85 -1.13 -2.28 115.31 120.01 2x64 h LEU 162 Ca 0.01 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2x64 h LEU 162 Cb 0.32 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 2x64 h LEU 162 CO 0.00 0.32 0.45 0.22 -0.34 0.00 0.00 178.44 179.09 2x64 h TYR 163 N 0.62 0.83 -0.52 1.25 3.20 -1.20 -2.18 116.97 118.98 2x64 h TYR 163 Ca 0.28 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.07 2x64 h TYR 163 Cb 0.19 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2x64 h TYR 163 CO -0.09 0.37 -0.11 0.28 -1.64 0.00 0.00 178.16 176.97 2x64 h VAL 164 N 0.79 1.27 -0.80 1.81 2.07 -1.06 -2.50 116.25 117.83 2x64 h VAL 164 Ca 0.37 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2x64 h VAL 164 Cb 0.29 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2x64 h VAL 164 CO -0.22 0.44 0.36 0.71 0.02 0.00 0.00 177.57 178.88 2x64 h THR 165 N 0.87 1.25 -0.17 2.57 1.35 -1.15 -2.58 112.91 115.05 2x64 h THR 165 Ca 0.14 -0.74 -0.03 0.00 -0.55 0.00 0.00 66.41 65.23 2x64 h THR 165 Cb 0.65 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 2x64 h THR 165 CO 0.05 0.31 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.55 2x64 h LEU 166 N 1.14 0.21 -0.59 3.87 3.38 -1.06 -1.02 115.31 121.25 2x64 h LEU 166 Ca 0.27 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 2x64 h LEU 166 Cb 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2x64 h LEU 166 CO -0.03 0.27 -0.08 0.03 0.09 0.00 0.00 178.44 178.72 2x64 h ARG 167 N 0.23 1.04 -0.47 1.13 3.08 -1.06 -2.83 114.38 115.51 2x64 h ARG 167 Ca 0.06 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 2x64 h ARG 167 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2x64 h ARG 167 CO 0.00 1.06 -0.04 -1.49 -1.07 0.00 0.00 179.97 178.43 2x64 h TRP 168 N 0.93 0.95 -0.71 3.04 6.55 -1.15 -3.14 115.95 122.42 2x64 h TRP 168 Ca 0.15 -0.18 0.11 0.00 0.95 0.00 0.00 58.89 59.92 2x64 h TRP 168 Cb 0.65 -0.24 -0.08 0.00 -0.86 0.00 0.00 29.16 28.63 2x64 h TRP 168 CO 0.04 0.92 0.31 0.00 -1.05 0.00 0.00 178.44 178.66 2x64 h ALA 169 N 0.90 0.98 0.00 1.49 0.00 -1.12 0.39 119.26 121.90 2x64 h ALA 169 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2x64 h ALA 169 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2x64 h ALA 169 CO 0.03 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.78 2x64 n LYS 170 N -4.94 0.20 -0.06 0.00 5.02 -1.08 -1.56 118.16 115.74 2x64 n LYS 170 Ca 0.12 0.14 -0.06 0.00 -2.02 0.00 0.00 58.31 56.48 2x64 n LYS 170 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 2x64 n LYS 170 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2x64 n LYS 171 N -1.33 1.97 -0.32 1.97 4.76 -0.05 -4.71 118.16 120.44 2x64 n LYS 171 Ca 0.08 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.60 2x64 n LYS 171 Cb 0.16 -1.30 0.24 0.00 -1.84 0.00 0.00 35.03 32.29 2x64 n LYS 171 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2x64 n VAL 172 N -2.47 1.22 -1.91 -0.18 0.24 -0.16 -5.00 118.33 110.09 2x64 n VAL 172 Ca -0.20 -1.10 -0.01 0.00 -2.04 0.00 0.00 64.34 60.99 2x64 n VAL 172 Cb 0.87 0.39 -0.00 0.00 -1.47 0.00 0.00 33.84 33.63 2x64 n VAL 172 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x64 n GLY 173 N 0.84 0.34 3.69 7.63 0.00 -0.98 -5.02 105.19 111.68 2x64 n GLY 173 Ca 0.18 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2x64 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x64 s VAL 174 N -2.05 4.82 -0.25 1.61 1.01 -0.60 -4.98 120.40 119.95 2x64 s VAL 174 Ca 0.00 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 2x64 s VAL 174 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2x64 s VAL 174 CO 0.00 0.03 1.47 -0.62 0.00 0.00 0.00 175.10 175.98 2x64 s ASP 175 N 1.09 6.52 -0.01 3.32 2.15 -1.26 -4.67 116.67 123.80 2x64 s ASP 175 Ca 0.46 1.45 0.10 0.00 0.43 0.00 0.00 52.55 54.99 2x64 s ASP 175 Cb -0.18 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.18 2x64 s ASP 175 CO 0.17 -1.17 1.23 0.18 -0.17 0.00 0.00 175.17 175.42 2x64 n LEU 176 N 8.04 2.85 -4.77 -1.34 4.77 -1.26 -4.78 117.00 120.52 2x64 n LEU 176 Ca 0.17 -2.06 -0.39 0.00 -0.03 0.00 0.00 56.01 53.70 2x64 n LEU 176 Cb 0.46 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2x64 n LEU 176 CO 0.64 0.70 0.98 -0.94 -1.33 0.00 0.00 177.39 177.43 2x64 s SER 177 N -1.06 6.06 0.00 -1.43 1.04 -1.26 -2.80 113.70 114.25 2x64 s SER 177 Ca 0.21 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.34 2x64 s SER 177 Cb 0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2x64 s SER 177 CO 0.13 -1.02 0.00 -1.20 0.98 0.00 0.00 173.24 172.13 2x64 n SER 178 N -0.15 -4.02 -3.98 7.02 7.64 -1.26 -4.94 113.62 113.94 2x64 n SER 178 Ca 0.05 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 2x64 n SER 178 Cb 0.44 -1.78 -0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2x64 n SER 178 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2x64 n LEU 179 N 0.00 6.00 -0.25 -3.43 4.77 -1.12 -4.87 117.00 118.10 2x64 n LEU 179 Ca 0.00 -5.22 -0.06 0.00 -0.03 0.00 0.00 56.01 50.70 2x64 n LEU 179 Cb 0.21 -1.22 0.08 0.00 -2.33 0.00 0.00 43.42 40.16 2x64 n LEU 179 CO 0.00 1.70 0.99 0.44 -1.33 0.00 0.00 177.39 179.19 2x64 h ASP 180 N 5.43 1.04 0.01 -1.43 3.32 -1.92 -0.53 116.42 122.35 2x64 h ASP 180 Ca 0.20 -0.19 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2x64 h ASP 180 Cb 0.65 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2x64 h ASP 180 CO 1.24 0.97 -0.56 0.00 -1.72 0.00 0.00 179.24 179.16 2x64 h ALA 181 N 1.17 0.67 -0.38 3.45 0.00 -1.89 -1.20 119.26 121.07 2x64 h ALA 181 Ca 0.23 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2x64 h ALA 181 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2x64 h ALA 181 CO -0.01 0.69 -0.33 1.25 0.00 0.00 0.00 179.25 180.85 2x64 h LEU 182 N 0.44 0.91 -0.38 0.00 5.85 -1.79 -1.94 115.31 118.40 2x64 h LEU 182 Ca 0.01 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2x64 h LEU 182 Cb 1.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2x64 h LEU 182 CO 0.11 1.15 0.11 -1.28 -0.34 0.00 0.00 178.44 178.19 2x64 h SER 183 N 0.72 0.55 -0.44 1.25 0.87 -0.97 -1.53 113.55 114.00 2x64 h SER 183 Ca 0.07 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 2x64 h SER 183 Cb 0.90 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2x64 h SER 183 CO 0.08 0.61 0.10 0.00 -0.53 0.00 0.00 176.83 177.09 2x64 h ALA 184 N 0.96 1.23 -0.17 6.23 0.00 -1.14 -1.88 119.26 124.49 2x64 h ALA 184 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2x64 h ALA 184 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2x64 h ALA 184 CO -0.00 0.53 0.07 0.35 0.00 0.00 0.00 179.25 180.19 2x64 h PHE 185 N 0.75 0.26 -0.92 0.00 3.57 -1.10 -1.10 116.94 118.40 2x64 h PHE 185 Ca 0.16 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2x64 h PHE 185 Cb 0.31 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 2x64 h PHE 185 CO 0.02 0.32 0.61 0.35 -2.23 0.00 0.00 178.31 177.37 2x64 h PHE 186 N 0.13 1.15 -0.43 0.41 3.57 -0.96 -1.57 116.94 119.23 2x64 h PHE 186 Ca 0.06 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2x64 h PHE 186 Cb 0.17 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2x64 h PHE 186 CO -0.01 0.72 0.01 0.93 -2.23 0.00 0.00 178.31 177.72 2x64 h GLU 187 N 1.24 0.76 -0.83 1.11 4.39 -1.16 -2.13 114.58 117.96 2x64 h GLU 187 Ca 0.34 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2x64 h GLU 187 Cb -0.12 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.41 2x64 h GLU 187 CO -0.08 0.82 0.49 0.00 -1.16 0.00 0.00 179.01 179.08 2x64 h ARG 188 N 0.60 1.14 -0.07 2.33 3.08 -0.87 -2.31 114.38 118.28 2x64 h ARG 188 Ca 0.12 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x64 h ARG 188 Cb 0.48 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2x64 h ARG 188 CO 0.02 0.82 0.02 0.52 -1.07 0.00 0.00 179.97 180.28 2x64 h MET 189 N 1.15 0.10 0.00 0.04 2.86 -1.19 -2.82 114.93 115.07 2x64 h MET 189 Ca 0.30 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2x64 h MET 189 Cb -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2x64 h MET 189 CO -0.05 0.25 0.00 0.93 1.06 0.00 0.00 176.91 179.10 2x64 h GLU 190 N -0.07 0.00 0.00 1.72 5.08 -1.22 -1.18 114.58 118.91 2x64 h GLU 190 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2x64 h GLU 190 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2x64 h GLU 190 CO -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 179.01 177.42 2x64 n ALA 191 N -1.93 3.26 -2.34 3.43 0.00 -0.88 -4.70 120.51 117.35 2x64 n ALA 191 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2x64 n ALA 191 Cb 0.20 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2x64 n ALA 191 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x64 s ASP 192 N -3.55 7.06 0.39 0.00 -1.08 -0.45 -4.95 116.67 114.08 2x64 s ASP 192 Ca 0.09 2.08 0.09 0.00 -0.52 0.00 0.00 52.55 54.28 2x64 s ASP 192 Cb 0.16 -2.58 0.79 0.00 -1.46 0.00 0.00 42.92 39.83 2x64 s ASP 192 CO 0.71 -0.47 1.94 1.55 0.52 0.00 0.00 175.17 179.42 2x64 h PRO 193 N 6.56 0.30 -0.46 4.34 0.13 -1.91 -1.63 132.00 139.32 2x64 h PRO 193 Ca -0.42 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2x64 h PRO 193 Cb 1.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2x64 h PRO 193 CO 0.81 0.38 -0.21 0.78 -0.23 0.00 0.00 178.00 179.52 2x64 h GLY 194 N 0.69 1.04 0.80 1.56 0.00 -1.93 -1.20 103.07 104.03 2x64 h GLY 194 Ca 0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 2x64 h GLY 194 CO 0.01 0.85 0.02 -2.08 0.00 0.00 0.00 176.54 175.34 2x64 h VAL 195 N 0.81 1.21 -0.31 4.60 2.07 -1.76 -2.27 116.25 120.60 2x64 h VAL 195 Ca 0.10 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2x64 h VAL 195 Cb 0.79 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2x64 h VAL 195 CO 0.07 0.19 0.20 1.56 0.02 0.00 0.00 177.57 179.61 2x64 h GLN 196 N -0.04 0.41 -0.74 1.57 4.20 -1.27 0.27 115.11 119.51 2x64 h GLN 196 Ca 0.03 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2x64 h GLN 196 Cb 0.28 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 2x64 h GLN 196 CO 0.00 0.28 0.43 0.00 -0.67 0.00 0.00 178.83 178.87 2x64 h ALA 197 N 1.11 1.00 0.11 3.87 0.00 -1.23 -0.14 119.26 123.98 2x64 h ALA 197 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x64 h ALA 197 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2x64 h ALA 197 CO -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 2x64 h ALA 198 N 1.37 -0.15 -0.64 0.00 0.00 -0.91 -1.18 119.26 117.74 2x64 h ALA 198 Ca 0.33 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2x64 h ALA 198 Cb 0.18 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2x64 h ALA 198 CO -0.18 -0.44 0.38 -0.07 0.00 0.00 0.00 179.25 178.94 2x64 h LEU 199 N -0.44 0.59 -0.21 0.00 3.38 -0.83 -1.65 115.31 116.14 2x64 h LEU 199 Ca -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2x64 h LEU 199 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2x64 h LEU 199 CO 0.03 0.40 0.01 -0.61 0.09 0.00 0.00 178.44 178.35 2x64 h GLN 200 N 0.72 0.37 -0.49 1.13 4.15 -0.99 0.32 115.11 120.31 2x64 h GLN 200 Ca 0.27 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.62 2x64 h GLN 200 Cb 0.10 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 2x64 h GLN 200 CO -0.14 0.54 0.33 0.00 -1.93 0.00 0.00 178.83 177.63 2x64 h ALA 201 N 0.81 1.79 -0.00 3.38 0.00 -0.98 -0.53 119.26 123.72 2x64 h ALA 201 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x64 h ALA 201 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2x64 h ALA 201 CO 0.01 0.15 -0.12 0.39 0.00 0.00 0.00 179.25 179.68 2x64 n GLU 202 N -4.47 0.80 -1.36 0.00 1.02 -0.64 -4.93 120.64 111.05 2x64 n GLU 202 Ca 0.06 -0.31 -0.04 0.00 -0.02 0.00 0.00 57.16 56.85 2x64 n GLU 202 Cb 0.16 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 2x64 n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x64 n GLY 203 N 1.27 0.54 0.11 0.62 0.00 -0.21 -4.74 105.19 102.77 2x64 n GLY 203 Ca 0.15 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.42 2x64 n GLY 203 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x64 h LEU 204 N 0.00 0.00 -0.36 0.99 3.38 -0.58 -3.49 115.31 115.25 2x64 h LEU 204 Ca -0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2x64 h LEU 204 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2x64 h LEU 204 CO 0.11 0.02 0.00 2.30 0.09 0.00 0.00 178.44 180.96