#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 0.41 -3.30 1.57 -0.00 -1.92 -3.42 115.15 108.49 2x64 h HIS 0 Ca 0.00 -0.10 -0.66 0.00 -0.00 0.00 0.00 60.37 59.61 2x64 h HIS 0 Cb 0.00 -0.09 -0.29 0.00 -0.00 0.00 0.00 27.41 27.03 2x64 h HIS 0 CO 0.00 0.67 -0.78 -1.64 -0.00 0.00 0.00 177.93 176.19 2x64 s MET 1 N -4.26 3.30 -0.11 5.26 1.00 -1.25 -0.84 119.30 122.39 2x64 s MET 1 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 55.69 54.95 2x64 s MET 1 Cb 0.13 -2.69 0.01 0.00 0.00 0.00 0.00 34.83 32.29 2x64 s MET 1 CO 0.78 0.05 -0.20 0.15 0.00 0.00 0.00 175.02 175.81 2x64 s LYS 2 N 0.76 2.68 -0.24 2.03 1.02 0.56 -0.32 119.74 126.22 2x64 s LYS 2 Ca -0.05 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 2x64 s LYS 2 Cb -0.15 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2x64 s LYS 2 CO 0.01 0.04 0.05 -1.17 -0.92 0.00 0.00 175.35 173.36 2x64 s LEU 3 N 0.70 3.39 -0.37 3.17 2.96 -0.21 -0.06 118.68 128.26 2x64 s LEU 3 Ca -0.11 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.33 2x64 s LEU 3 Cb -0.16 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.64 2x64 s LEU 3 CO 0.02 -0.02 0.89 -0.31 -1.32 0.00 0.00 176.35 175.61 2x64 s TYR 4 N 1.52 3.08 0.21 5.38 1.51 0.27 -0.81 117.35 128.52 2x64 s TYR 4 Ca 0.06 0.71 0.10 0.00 -1.01 0.00 0.00 57.07 56.93 2x64 s TYR 4 Cb -0.15 -3.59 -0.05 0.00 -0.11 0.00 0.00 41.96 38.06 2x64 s TYR 4 CO 0.03 -0.81 -0.18 0.96 -1.11 0.00 0.00 175.55 174.44 2x64 s ILE 5 N 3.39 2.04 -0.12 2.71 -4.36 -0.04 -3.41 121.20 121.41 2x64 s ILE 5 Ca 0.36 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 2x64 s ILE 5 Cb -0.12 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.53 2x64 s ILE 5 CO 0.18 -0.41 -0.18 -0.32 0.24 0.00 0.00 174.94 174.46 2x64 s MET 6 N -3.26 2.51 0.00 0.37 -2.45 -1.26 0.31 119.30 115.52 2x64 s MET 6 Ca 0.22 -0.67 -0.36 0.00 -1.25 0.00 0.00 55.69 53.64 2x64 s MET 6 Cb -0.04 -2.07 -0.14 0.00 1.25 0.00 0.00 34.83 33.82 2x64 s MET 6 CO 0.09 -0.03 1.63 -2.30 1.05 0.00 0.00 175.02 175.47 2x64 n PRO 7 N 4.10 1.76 -0.53 4.11 -0.02 -1.26 -1.92 135.00 141.23 2x64 n PRO 7 Ca -0.19 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2x64 n PRO 7 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.61 1.81 3.80 -1.23 0.00 -1.26 -5.03 105.19 106.88 2x64 n GLY 8 Ca 0.20 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 -3.42 1.55 0.61 4.61 0.00 -0.81 -4.85 121.76 119.45 2x64 s ALA 9 Ca 0.00 -1.15 0.31 0.00 0.00 0.00 0.00 51.96 51.12 2x64 s ALA 9 Cb 0.00 -2.80 1.74 0.00 0.00 0.00 0.00 23.12 22.06 2x64 s ALA 9 CO 0.00 -2.97 2.09 0.00 0.00 0.00 0.00 175.76 174.88 2x64 h SER 11 N 0.00 0.00 -0.42 0.00 4.64 -1.86 -1.79 113.55 114.12 2x64 h SER 11 Ca 0.07 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2x64 h SER 11 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2x64 h SER 11 CO -0.00 0.00 0.28 0.25 -0.87 0.00 0.00 176.83 176.49 2x64 h LEU 12 N 0.00 0.40 -0.61 5.97 5.85 -1.35 -1.26 115.31 124.30 2x64 h LEU 12 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2x64 h LEU 12 Cb 0.11 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2x64 h LEU 12 CO -0.00 0.27 0.30 0.00 -0.34 0.00 0.00 178.44 178.68 2x64 h ALA 13 N 1.75 0.79 -0.24 1.25 0.00 -1.53 0.40 119.26 121.68 2x64 h ALA 13 Ca 0.17 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2x64 h ALA 13 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2x64 h ALA 13 CO -0.04 0.35 -0.49 -0.44 0.00 0.00 0.00 179.25 178.63 2x64 h ASP 14 N 0.84 0.71 0.08 0.00 5.19 -1.55 -2.26 116.42 119.44 2x64 h ASP 14 Ca 0.21 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2x64 h ASP 14 Cb 0.11 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2x64 h ASP 14 CO -0.03 1.08 -0.04 -0.74 -3.12 0.00 0.00 179.24 176.39 2x64 h HIS 15 N 0.51 -0.10 -0.39 4.55 2.76 -0.98 -0.69 115.15 120.82 2x64 h HIS 15 Ca 0.02 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2x64 h HIS 15 Cb 1.04 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.99 2x64 h HIS 15 CO 0.05 0.01 0.13 0.82 -1.30 0.00 0.00 177.93 177.64 2x64 h ILE 16 N -0.19 0.88 -0.58 6.26 2.04 -0.88 -2.70 117.51 122.34 2x64 h ILE 16 Ca -0.01 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2x64 h ILE 16 Cb 0.16 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2x64 h ILE 16 CO 0.02 0.05 0.07 0.25 0.00 0.00 0.00 178.15 178.54 2x64 h LEU 17 N 0.29 0.90 -0.84 1.44 5.85 -1.21 -1.73 115.31 120.00 2x64 h LEU 17 Ca 0.18 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2x64 h LEU 17 Cb 0.16 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2x64 h LEU 17 CO -0.18 0.92 0.54 -0.07 -0.34 0.00 0.00 178.44 179.31 2x64 h LEU 18 N 0.89 0.91 -0.47 2.25 3.38 -0.95 -0.11 115.31 121.20 2x64 h LEU 18 Ca 0.18 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2x64 h LEU 18 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2x64 h LEU 18 CO 0.01 0.63 -0.27 0.03 0.09 0.00 0.00 178.44 178.93 2x64 h ARG 19 N 1.07 0.97 -0.17 1.13 3.08 -1.14 -2.83 114.38 116.48 2x64 h ARG 19 Ca 0.33 -0.44 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2x64 h ARG 19 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2x64 h ARG 19 CO -0.11 1.11 -0.26 -1.49 -1.07 0.00 0.00 179.97 178.16 2x64 h TRP 20 N 0.83 0.34 0.00 3.04 6.55 -0.89 -2.87 115.95 122.95 2x64 h TRP 20 Ca 0.09 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 2x64 h TRP 20 Cb 0.85 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 29.07 2x64 h TRP 20 CO 0.06 0.55 -0.03 0.66 -1.05 0.00 0.00 178.44 178.62 2x64 h SER 21 N 0.28 0.00 0.00 -3.49 4.64 -0.90 -3.48 113.55 110.60 2x64 h SER 21 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2x64 h SER 21 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2x64 h SER 21 CO 0.04 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2x64 n GLY 22 N 0.48 0.54 3.76 -0.77 0.00 -1.08 -4.55 105.19 103.58 2x64 n GLY 22 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.11 5.58 -0.04 1.61 0.01 -1.13 -5.03 113.70 112.59 2x64 s SER 23 Ca 0.00 2.31 -0.24 0.00 1.31 0.00 0.00 55.95 59.33 2x64 s SER 23 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2x64 s SER 23 CO 0.00 -1.32 0.73 -0.55 0.41 0.00 0.00 173.24 172.51 2x64 s SER 24 N -1.59 7.05 0.14 2.44 0.15 -1.26 -4.79 113.70 115.84 2x64 s SER 24 Ca 0.73 1.27 -0.20 0.00 0.70 0.00 0.00 55.95 58.45 2x64 s SER 24 Cb -0.28 -2.43 0.05 0.00 -1.71 0.00 0.00 66.02 61.65 2x64 s SER 24 CO 0.31 -0.10 0.51 0.72 1.20 0.00 0.00 173.24 175.88 2x64 s PHE 25 N 0.64 -0.38 -0.10 3.44 -0.12 -1.26 -4.54 117.98 115.65 2x64 s PHE 25 Ca 0.39 0.13 0.02 0.00 -0.05 0.00 0.00 56.93 57.42 2x64 s PHE 25 Cb -0.18 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.63 2x64 s PHE 25 CO 0.20 -0.78 -0.17 0.34 -0.05 0.00 0.00 175.22 174.75 2x64 s ASP 26 N -2.76 2.55 0.13 1.98 2.15 0.56 -4.50 116.67 116.79 2x64 s ASP 26 Ca 0.02 -0.46 -0.28 0.00 0.43 0.00 0.00 52.55 52.26 2x64 s ASP 26 Cb 0.00 -1.16 -0.07 0.00 -0.30 0.00 0.00 42.92 41.40 2x64 s ASP 26 CO -0.12 0.06 0.88 -0.76 -0.17 0.00 0.00 175.17 175.05 2x64 s LEU 27 N 0.77 4.53 -0.25 -1.34 1.43 -1.26 -1.04 118.68 121.53 2x64 s LEU 27 Ca -0.11 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 2x64 s LEU 27 Cb -0.16 -3.46 0.06 0.00 0.03 0.00 0.00 46.19 42.66 2x64 s LEU 27 CO 0.01 0.04 -0.10 -1.10 0.23 0.00 0.00 176.35 175.43 2x64 s GLN 28 N -0.44 2.15 0.07 1.70 -1.52 0.01 -4.91 119.66 116.73 2x64 s GLN 28 Ca 0.42 -1.25 -0.28 0.00 -1.95 0.00 0.00 55.36 52.30 2x64 s GLN 28 Cb -0.23 -2.81 -0.05 0.00 -0.22 0.00 0.00 33.01 29.70 2x64 s GLN 28 CO 0.28 -0.56 0.89 -0.06 -0.25 0.00 0.00 175.29 175.60 2x64 s PHE 29 N 1.17 3.77 0.17 0.91 0.40 -1.26 -0.86 117.98 122.28 2x64 s PHE 29 Ca -0.08 1.67 0.07 0.00 -0.60 0.00 0.00 56.93 58.00 2x64 s PHE 29 Cb -0.19 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 2x64 s PHE 29 CO -0.06 0.20 -0.15 -0.51 0.70 0.00 0.00 175.22 175.40 2x64 s LEU 30 N 0.10 2.48 0.47 -0.37 1.43 0.15 -4.93 118.68 118.00 2x64 s LEU 30 Ca 0.44 -0.92 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2x64 s LEU 30 Cb -0.22 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2x64 s LEU 30 CO 0.27 -0.12 0.13 -1.81 0.23 0.00 0.00 176.35 175.05 2x64 s ASP 31 N -2.88 4.26 0.40 2.29 1.01 -1.26 -4.38 116.67 116.10 2x64 s ASP 31 Ca 0.17 -1.35 0.29 0.00 0.71 0.00 0.00 52.55 52.36 2x64 s ASP 31 Cb -0.03 0.01 1.22 0.00 1.01 0.00 0.00 42.92 45.13 2x64 s ASP 31 CO 0.06 -0.72 1.85 0.45 0.21 0.00 0.00 175.17 177.02 2x64 h HIS 32 N 1.36 0.00 0.00 4.23 3.86 -2.00 -1.44 115.15 121.15 2x64 h HIS 32 Ca -0.42 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.62 2x64 h HIS 32 Cb 1.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 2x64 h HIS 32 CO 0.99 0.00 -1.06 1.04 0.86 0.00 0.00 177.93 179.77 2x64 n GLN 33 N -2.62 0.53 0.28 2.45 1.13 -1.26 -4.16 117.38 113.72 2x64 n GLN 33 Ca 0.01 0.55 0.15 0.00 -1.94 0.00 0.00 57.00 55.78 2x64 n GLN 33 Cb 0.24 -1.72 0.80 0.00 0.11 0.00 0.00 30.24 29.67 2x64 n GLN 33 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2x64 h SER 34 N -1.00 0.00 -0.14 1.08 4.64 -1.92 -2.47 113.55 113.75 2x64 h SER 34 Ca -0.25 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 2x64 h SER 34 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2x64 h SER 34 CO -0.15 0.08 -0.34 -0.03 -0.87 0.00 0.00 176.83 175.52 2x64 h MET 35 N 0.00 0.64 -0.01 4.77 -1.53 -1.47 -3.09 114.93 114.23 2x64 h MET 35 Ca -0.00 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 55.96 2x64 h MET 35 Cb 0.31 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.36 2x64 h MET 35 CO 0.01 0.89 -0.04 1.63 0.14 0.00 0.00 176.91 179.54 2x64 n LYS 36 N -4.06 1.57 -2.42 0.39 5.02 -0.95 -4.40 118.16 113.31 2x64 n LYS 36 Ca -0.01 -0.94 -0.34 0.00 -2.02 0.00 0.00 58.31 55.00 2x64 n LYS 36 Cb 0.48 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 2x64 n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x64 s ALA 37 N -2.07 2.81 0.54 7.82 0.00 -1.09 -4.90 121.76 124.87 2x64 s ALA 37 Ca 0.35 0.64 0.28 0.00 0.00 0.00 0.00 51.96 53.23 2x64 s ALA 37 Cb 0.21 -3.28 1.69 0.00 0.00 0.00 0.00 23.12 21.74 2x64 s ALA 37 CO 0.36 -0.47 2.20 -1.35 0.00 0.00 0.00 175.76 176.50 2x64 h PRO 38 N 1.35 0.00 -0.20 0.00 0.11 -1.92 -2.41 132.00 128.94 2x64 h PRO 38 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 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 0.58 0.04 0.08 0.93 -0.21 0.00 0.00 178.00 179.42 2x64 h GLU 39 N 0.00 0.30 0.00 1.05 5.08 -1.93 -2.05 114.58 117.02 2x64 h GLU 39 Ca -0.00 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 2x64 h GLU 39 Cb 0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2x64 h GLU 39 CO 0.00 0.35 -0.87 -0.92 -1.00 0.00 0.00 179.01 176.57 2x64 h TYR 40 N 0.17 0.02 0.00 4.33 3.20 -1.77 -3.23 116.97 119.70 2x64 h TYR 40 Ca 0.07 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 2x64 h TYR 40 Cb 0.16 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2x64 h TYR 40 CO -0.01 0.88 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.98 2x64 h LEU 41 N 0.01 0.00 -0.62 2.82 3.38 -1.38 0.52 115.31 120.04 2x64 h LEU 41 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2x64 h LEU 41 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2x64 h LEU 41 CO 0.12 0.34 -0.29 0.00 0.09 0.00 0.00 178.44 178.69 2x64 h ALA 42 N 1.66 0.80 0.00 1.53 0.00 -1.39 -2.48 119.26 119.38 2x64 h ALA 42 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2x64 h ALA 42 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2x64 h ALA 42 CO 0.04 0.65 -0.05 1.25 0.00 0.00 0.00 179.25 181.14 2x64 h LEU 43 N 0.66 0.04 -7.09 0.00 5.85 -1.49 -3.44 115.31 109.85 2x64 h LEU 43 Ca 0.08 -0.81 -0.52 0.00 0.84 0.00 0.00 57.88 57.47 2x64 h LEU 43 Cb 0.82 -0.01 -0.40 0.00 0.37 0.00 0.00 40.66 41.44 2x64 h LEU 43 CO 0.07 0.85 -0.76 0.21 -0.34 0.00 0.00 178.44 178.47 2x64 s ASN 44 N -6.09 3.11 0.55 1.25 2.47 0.18 -4.92 114.94 111.50 2x64 s ASN 44 Ca -0.17 -1.02 0.32 0.00 0.42 0.00 0.00 52.86 52.41 2x64 s ASN 44 Cb -0.01 -0.50 1.56 0.00 -1.45 0.00 0.00 41.25 40.85 2x64 s ASN 44 CO 0.70 -0.37 2.08 -0.65 -3.72 0.00 0.00 177.10 175.14 2x64 h PRO 45 N 8.30 0.00 0.00 0.43 0.11 -1.67 -2.58 132.00 136.58 2x64 h PRO 45 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2x64 h PRO 45 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2x64 h PRO 45 CO 0.37 0.07 0.00 0.77 -0.21 0.00 0.00 178.00 179.01 2x64 h SER 46 N 0.00 0.00 -5.88 -2.05 0.02 -1.93 -3.48 113.55 100.24 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 0.37 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.02 2x64 h SER 46 CO 0.01 0.00 -0.73 0.61 -1.14 0.00 0.00 176.83 175.58 2x64 n GLY 47 N -0.15 -0.46 3.03 -3.77 0.00 -0.97 -5.02 105.19 97.84 2x64 n GLY 47 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.36 0.44 0.21 4.61 0.00 -1.26 -4.68 121.76 117.70 2x64 s ALA 48 Ca 0.37 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2x64 s ALA 48 Cb -0.17 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2x64 s ALA 48 CO 0.75 -0.05 0.36 0.14 0.00 0.00 0.00 175.76 176.97 2x64 s VAL 49 N -1.28 5.25 0.69 0.00 -7.23 -1.26 -4.59 120.40 111.98 2x64 s VAL 49 Ca -0.10 -0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 2x64 s VAL 49 Cb -0.09 -3.78 0.02 0.00 0.56 0.00 0.00 36.38 33.08 2x64 s VAL 49 CO 0.00 -0.22 1.06 -2.16 -0.31 0.00 0.00 175.10 173.47 2x64 s PRO 50 N -3.56 2.84 -0.05 4.82 0.04 -1.26 -4.72 135.00 133.10 2x64 s PRO 50 Ca 0.36 0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 2x64 s PRO 50 Cb -0.10 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.40 2x64 s PRO 50 CO 0.30 -0.99 0.12 0.00 0.04 0.00 0.00 177.00 176.46 2x64 s ALA 51 N -3.29 -0.20 -0.23 8.56 0.00 -1.22 -4.58 121.76 120.79 2x64 s ALA 51 Ca 0.57 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 2x64 s ALA 51 Cb -0.11 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.68 2x64 s ALA 51 CO 0.50 -0.12 -0.11 -1.17 0.00 0.00 0.00 175.76 174.86 2x64 s LEU 52 N 0.90 2.88 -0.25 0.00 2.96 0.48 -0.56 118.68 125.08 2x64 s LEU 52 Ca -0.07 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 52.85 2x64 s LEU 52 Cb -0.09 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2x64 s LEU 52 CO -0.04 -0.09 0.33 -1.58 -1.32 0.00 0.00 176.35 173.65 2x64 s GLN 53 N 1.29 4.05 -0.42 1.98 0.74 0.91 -0.52 119.66 127.69 2x64 s GLN 53 Ca 0.01 0.00 0.04 0.00 0.05 0.00 0.00 55.36 55.46 2x64 s GLN 53 Cb -0.16 -3.62 0.11 0.00 1.10 0.00 0.00 33.01 30.45 2x64 s GLN 53 CO -0.07 -0.17 0.14 0.08 -0.55 0.00 0.00 175.29 174.72 2x64 s VAL 54 N 1.75 2.39 0.00 1.34 1.01 0.57 -0.32 120.40 127.12 2x64 s VAL 54 Ca 0.14 -2.75 0.00 0.00 0.00 0.00 0.00 61.98 59.37 2x64 s VAL 54 Cb -0.15 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2x64 s VAL 54 CO 0.09 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.11 2x64 n GLY 55 N 3.77 2.99 0.07 4.51 0.00 -0.02 -2.14 105.19 114.38 2x64 n GLY 55 Ca 0.04 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2x64 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x64 n ASP 56 N 9.08 0.68 -4.71 1.61 8.00 -1.26 -4.91 116.55 125.03 2x64 n ASP 56 Ca 0.00 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 2x64 n ASP 56 Cb 0.00 0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 2x64 n ASP 56 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2x64 s TRP 57 N -3.29 3.60 -0.26 1.24 -0.00 -0.91 -5.05 118.94 114.26 2x64 s TRP 57 Ca 0.01 1.59 -0.03 0.00 -0.00 0.00 0.00 56.10 57.68 2x64 s TRP 57 Cb 0.12 -3.20 0.03 0.00 -0.00 0.00 0.00 33.47 30.41 2x64 s TRP 57 CO 0.79 -0.36 -0.02 0.08 -0.00 0.00 0.00 176.95 177.44 2x64 s VAL 58 N 0.98 3.12 -0.06 5.86 1.01 -1.26 -0.32 120.40 129.73 2x64 s VAL 58 Ca 0.54 -1.00 -0.09 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 33.48 2x64 s VAL 58 CO 0.28 0.14 0.23 -0.22 0.00 0.00 0.00 175.10 175.54 2x64 s LEU 59 N 1.35 4.41 0.00 3.92 2.96 0.32 -4.94 118.68 126.71 2x64 s LEU 59 Ca 0.00 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 2x64 s LEU 59 Cb -0.17 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.20 2x64 s LEU 59 CO -0.03 0.36 0.00 0.35 -1.32 0.00 0.00 176.35 175.71 2x64 n THR 60 N 1.76 0.00 -3.31 3.68 -2.24 -1.26 -0.39 114.28 112.53 2x64 n THR 60 Ca -0.17 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 2x64 n THR 60 Cb 0.54 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.93 4.18 0.27 -0.78 -1.52 -1.26 -4.45 119.66 114.15 2x64 s GLN 61 Ca 0.00 0.66 -0.01 0.00 -1.95 0.00 0.00 55.36 54.06 2x64 s GLN 61 Cb 0.00 -3.26 0.58 0.00 -0.22 0.00 0.00 33.01 30.10 2x64 s GLN 61 CO 0.00 0.57 1.71 -0.97 -0.25 0.00 0.00 175.29 176.35 2x64 h ASN 62 N 4.89 0.25 -0.75 5.90 -1.24 -1.94 0.29 115.58 122.98 2x64 h ASN 62 Ca -0.49 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.64 2x64 h ASN 62 Cb 1.21 0.13 -0.04 0.00 0.73 0.00 0.00 38.32 40.35 2x64 h ASN 62 CO 0.65 0.04 0.41 0.00 -1.29 0.00 0.00 177.43 177.24 2x64 h ALA 63 N 1.63 1.28 0.06 1.57 0.00 -1.95 0.51 119.26 122.36 2x64 h ALA 63 Ca 0.48 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 2x64 h ALA 63 Cb 0.82 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.33 2x64 h ALA 63 CO -0.48 0.58 -0.87 0.00 0.00 0.00 0.00 179.25 178.48 2x64 h ALA 64 N 1.38 0.02 -0.11 0.00 0.00 -1.42 -2.96 119.26 116.17 2x64 h ALA 64 Ca 0.27 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2x64 h ALA 64 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2x64 h ALA 64 CO -0.04 0.48 0.05 0.82 0.00 0.00 0.00 179.25 180.56 2x64 h ILE 65 N -0.01 1.11 -0.73 0.00 2.04 -0.37 -0.48 117.51 119.05 2x64 h ILE 65 Ca -0.13 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2x64 h ILE 65 Cb 1.59 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 2x64 h ILE 65 CO 0.17 0.09 0.48 -0.07 0.00 0.00 0.00 178.15 178.82 2x64 h LEU 66 N 0.06 0.82 -0.66 1.44 3.38 -1.02 -0.22 115.31 119.10 2x64 h LEU 66 Ca 0.04 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2x64 h LEU 66 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2x64 h LEU 66 CO -0.01 0.58 -0.18 0.78 0.09 0.00 0.00 178.44 179.70 2x64 h ASN 67 N 0.96 0.86 -0.17 -0.43 2.35 -1.35 -2.01 115.58 115.81 2x64 h ASN 67 Ca 0.28 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2x64 h ASN 67 Cb -0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2x64 h ASN 67 CO -0.08 1.03 0.06 0.22 -1.65 0.00 0.00 177.43 177.01 2x64 h TYR 68 N 0.75 0.26 -0.64 1.19 3.20 -0.62 -0.78 116.97 120.32 2x64 h TYR 68 Ca 0.11 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 2x64 h TYR 68 Cb 0.71 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 2x64 h TYR 68 CO 0.04 0.33 0.39 0.82 -1.64 0.00 0.00 178.16 178.11 2x64 h ILE 69 N 0.11 1.08 -0.31 1.81 2.04 -1.00 -1.74 117.51 119.49 2x64 h ILE 69 Ca 0.05 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2x64 h ILE 69 Cb 0.19 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2x64 h ILE 69 CO -0.00 0.14 0.12 0.74 0.00 0.00 0.00 178.15 179.15 2x64 h THR 70 N 0.78 0.94 -0.53 -0.27 2.02 -1.15 -1.73 112.91 112.97 2x64 h THR 70 Ca 0.26 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 2x64 h THR 70 Cb 0.02 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2x64 h THR 70 CO -0.10 0.05 0.30 0.44 0.37 0.00 0.00 175.52 176.58 2x64 h ASP 71 N 0.27 0.64 0.98 4.18 3.32 -0.61 -2.94 116.42 122.26 2x64 h ASP 71 Ca 0.14 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2x64 h ASP 71 Cb 0.09 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2x64 h ASP 71 CO -0.13 0.52 -0.77 0.16 -1.72 0.00 0.00 179.24 177.30 2x64 h ILE 72 N 0.74 0.00 -3.46 0.35 3.07 -1.10 -3.47 117.51 113.63 2x64 h ILE 72 Ca 0.19 -0.75 -0.52 0.00 1.55 0.00 0.00 64.86 65.33 2x64 h ILE 72 Cb 0.01 1.31 0.05 0.00 -0.27 0.00 0.00 36.82 37.92 2x64 h ILE 72 CO -0.03 0.00 0.70 0.00 -1.05 0.00 0.00 178.15 177.76 2x64 s ALA 73 N -3.26 3.57 0.36 0.16 0.00 -0.67 -4.97 121.76 116.95 2x64 s ALA 73 Ca 0.03 1.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 2x64 s ALA 73 Cb 0.11 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 2x64 s ALA 73 CO 0.75 -0.64 1.44 -2.14 0.00 0.00 0.00 175.76 175.17 2x64 s PRO 74 N -0.50 4.17 0.46 0.00 0.02 -1.26 -4.88 135.00 133.01 2x64 s PRO 74 Ca 0.57 2.48 0.27 0.00 0.02 0.00 0.00 61.00 64.33 2x64 s PRO 74 Cb -0.39 -3.00 1.31 0.00 0.02 0.00 0.00 34.50 32.45 2x64 s PRO 74 CO 0.43 -0.44 1.79 0.00 -0.33 0.00 0.00 177.00 178.44 2x64 h ALA 75 N 3.11 2.63 0.00 -1.55 0.00 -1.95 -0.68 119.26 120.83 2x64 h ALA 75 Ca -0.50 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2x64 h ALA 75 Cb 1.24 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x64 h ALA 75 CO 0.65 -1.01 -0.00 1.05 0.00 0.00 0.00 179.25 179.93 2x64 h GLU 76 N 0.20 0.00 0.00 0.00 -0.00 -2.00 -1.55 114.58 111.24 2x64 h GLU 76 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.94 2x64 h GLU 76 Cb 1.85 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.60 2x64 h GLU 76 CO -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 178.84 2x64 h ARG 77 N 0.00 0.00 -4.21 1.06 2.47 -1.48 -3.48 114.38 108.74 2x64 h ARG 77 Ca -0.00 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 2x64 h ARG 77 Cb 0.10 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.49 2x64 h ARG 77 CO 0.00 0.00 -0.54 0.41 0.56 0.00 0.00 179.97 180.40 2x64 n GLY 78 N 0.43 -0.36 0.37 0.04 0.00 -0.58 -4.95 105.19 100.13 2x64 n GLY 78 Ca 0.02 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.73 1.49 -0.27 0.99 4.77 -1.26 -4.14 117.00 114.85 2x64 n LEU 79 Ca -0.08 -0.49 0.04 0.00 -0.03 0.00 0.00 56.01 55.46 2x64 n LEU 79 Cb 0.59 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 41.71 2x64 n LEU 79 CO 0.44 0.28 0.57 -1.54 -1.33 0.00 0.00 177.39 175.81 2x64 n SER 80 N -0.32 2.49 0.00 -1.43 3.41 -1.26 -4.66 113.62 111.85 2x64 n SER 80 Ca 0.11 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 2x64 n SER 80 Cb 0.40 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.40 2.49 0.00 5.00 0.00 -1.26 -1.39 105.19 109.64 2x64 n GLY 81 Ca 0.08 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 4.43 0.00 0.00 1.61 5.68 -1.26 -4.90 116.55 122.10 2x64 n ASP 82 Ca 0.00 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 2x64 n ASP 82 Cb 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 1.05 0.79 3.77 6.12 0.00 -0.48 -5.05 105.19 111.39 2x64 n GLY 83 Ca 0.21 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 -2.58 3.02 0.18 1.61 1.04 -1.26 -4.85 113.70 110.86 2x64 s SER 84 Ca 0.00 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.14 2x64 s SER 84 Cb 0.00 -1.29 0.08 0.00 0.10 0.00 0.00 66.02 64.92 2x64 s SER 84 CO 0.00 -2.84 1.74 -0.07 0.98 0.00 0.00 173.24 173.05 2x64 h LEU 85 N -1.70 0.84 -0.65 2.42 4.07 -1.97 -1.46 115.31 116.85 2x64 h LEU 85 Ca -0.49 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.28 2x64 h LEU 85 Cb 1.31 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.81 2x64 h LEU 85 CO 0.54 0.77 0.28 0.50 -1.08 0.00 0.00 178.44 179.45 2x64 h LYS 86 N 0.85 0.96 -0.56 1.13 3.64 -1.98 -1.32 116.57 119.29 2x64 h LYS 86 Ca 0.21 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2x64 h LYS 86 Cb 0.18 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2x64 h LYS 86 CO -0.02 0.79 0.20 0.00 -2.27 0.00 0.00 179.45 178.15 2x64 h ALA 87 N 1.12 0.74 -0.11 5.00 0.00 -1.81 -1.08 119.26 123.11 2x64 h ALA 87 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2x64 h ALA 87 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2x64 h ALA 87 CO -0.02 0.38 -0.48 0.00 0.00 0.00 0.00 179.25 179.12 2x64 h ARG 88 N 0.78 0.28 -0.39 0.00 2.47 -1.14 -2.58 114.38 113.80 2x64 h ARG 88 Ca 0.18 -0.15 -0.13 0.00 -1.26 0.00 0.00 59.98 58.62 2x64 h ARG 88 Cb 0.25 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2x64 h ARG 88 CO -0.01 0.71 -0.28 0.00 0.56 0.00 0.00 179.97 180.95 2x64 h ALA 89 N 1.27 0.77 -0.49 0.04 0.00 -1.01 -1.16 119.26 118.69 2x64 h ALA 89 Ca 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2x64 h ALA 89 Cb 0.94 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2x64 h ALA 89 CO 0.08 0.65 -0.05 0.93 0.00 0.00 0.00 179.25 180.86 2x64 h GLU 90 N 0.71 0.91 -0.14 0.00 4.39 -1.06 -0.72 114.58 118.68 2x64 h GLU 90 Ca 0.08 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2x64 h GLU 90 Cb 0.82 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2x64 h GLU 90 CO 0.07 0.97 0.03 0.82 -1.16 0.00 0.00 179.01 179.73 2x64 h ILE 91 N 0.77 1.21 -0.73 3.13 2.04 -1.41 -2.99 117.51 119.51 2x64 h ILE 91 Ca 0.13 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.38 2x64 h ILE 91 Cb 0.59 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 2x64 h ILE 91 CO 0.04 0.19 0.46 0.78 0.00 0.00 0.00 178.15 179.62 2x64 h ASN 92 N 0.01 0.75 -0.72 1.72 2.35 -1.07 0.13 115.58 118.76 2x64 h ASN 92 Ca 0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2x64 h ASN 92 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2x64 h ASN 92 CO 0.00 0.52 0.27 0.08 -1.65 0.00 0.00 177.43 176.65 2x64 h ARG 93 N 0.89 1.09 0.01 0.81 0.11 -1.13 -0.38 114.38 115.78 2x64 h ARG 93 Ca 0.30 -0.21 -0.19 0.00 0.10 0.00 0.00 59.98 59.98 2x64 h ARG 93 Cb 0.03 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 30.92 2x64 h ARG 93 CO -0.12 0.90 -0.88 -1.49 0.10 0.00 0.00 179.97 178.49 2x64 h TRP 94 N 1.04 0.07 -0.32 4.08 4.06 -1.35 -1.51 115.95 122.02 2x64 h TRP 94 Ca 0.24 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 61.10 2x64 h TRP 94 Cb 0.23 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 2x64 h TRP 94 CO 0.02 0.90 0.01 0.82 -3.56 0.00 0.00 178.44 176.63 2x64 h ILE 95 N 0.02 1.25 -0.06 1.49 2.04 -0.84 -2.99 117.51 118.43 2x64 h ILE 95 Ca -0.02 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2x64 h ILE 95 Cb 1.54 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2x64 h ILE 95 CO 0.12 0.30 -0.20 0.00 0.00 0.00 0.00 178.15 178.37 2x64 h ALA 96 N 0.86 1.57 -0.06 1.87 0.00 -1.00 0.53 119.26 123.03 2x64 h ALA 96 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2x64 h ALA 96 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2x64 h ALA 96 CO 0.01 0.32 0.04 0.35 0.00 0.00 0.00 179.25 179.97 2x64 h PHE 97 N 0.08 0.08 -0.18 0.00 3.57 -1.15 0.20 116.94 119.55 2x64 h PHE 97 Ca 0.02 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 2x64 h PHE 97 Cb 0.41 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.13 2x64 h PHE 97 CO 0.00 0.07 -0.64 0.77 -2.23 0.00 0.00 178.31 176.28 2x64 h SER 98 N 0.06 0.87 -0.16 0.41 0.02 -1.33 -0.67 113.55 112.75 2x64 h SER 98 Ca 0.02 -0.60 -0.03 0.00 -0.84 0.00 0.00 61.79 60.34 2x64 h SER 98 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2x64 h SER 98 CO -0.00 1.32 -0.02 -1.13 -1.14 0.00 0.00 176.83 175.86 2x64 h ASN 99 N 0.46 0.29 0.00 3.07 -0.00 -0.85 0.18 115.58 118.73 2x64 h ASN 99 Ca -0.03 -0.34 0.00 0.00 -0.00 0.00 0.00 56.30 55.93 2x64 h ASN 99 Cb 1.27 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 2x64 h ASN 99 CO 0.13 0.56 -0.76 -1.54 -0.00 0.00 0.00 177.43 175.82 2x64 n SER 100 N -4.72 1.31 -0.09 1.15 3.41 0.69 -4.36 113.62 111.01 2x64 n SER 100 Ca -0.05 -0.46 -0.19 0.00 -0.26 0.00 0.00 58.87 57.91 2x64 n SER 100 Cb 0.24 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.27 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 -1.42 1.30 0.05 4.04 8.00 -0.84 -4.66 116.55 123.01 2x64 n ASP 101 Ca 0.00 0.22 -0.03 0.00 0.71 0.00 0.00 54.79 55.70 2x64 n ASP 101 Cb 0.17 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.66 0.00 -0.59 2.53 2.07 -1.17 -3.32 116.25 115.10 2x64 h VAL 102 Ca -0.44 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 66.72 2x64 h VAL 102 Cb 1.37 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.02 2x64 h VAL 102 CO -0.27 0.00 -0.25 -0.74 0.02 0.00 0.00 177.57 176.33 2x64 h HIS 103 N -0.65 -0.64 0.00 1.57 -0.00 -0.85 -1.57 115.15 113.01 2x64 h HIS 103 Ca -0.02 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2x64 h HIS 103 Cb 0.14 0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2x64 h HIS 103 CO 0.02 -0.34 -0.06 -1.35 -0.00 0.00 0.00 177.93 176.21 2x64 h PRO 104 N -0.10 0.00 0.00 5.26 0.11 -1.76 -2.00 132.00 133.52 2x64 h PRO 104 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2x64 h PRO 104 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2x64 h PRO 104 CO -0.66 0.06 0.00 1.98 -0.21 0.00 0.00 178.00 179.17 2x64 h MET 105 N 0.00 0.00 0.00 1.05 4.05 -1.38 -2.35 114.93 116.29 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 0.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2x64 h MET 105 CO 0.01 0.00 -0.10 0.66 0.23 0.00 0.00 176.91 177.70 2x64 n TYR 106 N -2.46 0.15 -0.20 1.39 4.01 -0.75 -4.29 117.16 115.00 2x64 n TYR 106 Ca 0.01 0.04 0.01 0.00 -0.16 0.00 0.00 57.90 57.81 2x64 n TYR 106 Cb 0.22 -0.53 0.12 0.00 -0.31 0.00 0.00 39.34 38.85 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 0.19 0.00 -0.72 6.55 -1.56 -0.58 115.95 119.82 2x64 h TRP 107 Ca 0.00 0.04 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 2x64 h TRP 107 Cb 0.54 0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 28.85 2x64 h TRP 107 CO 0.00 -0.05 -0.15 0.00 -1.05 0.00 0.00 178.44 177.19 2x64 h ALA 108 N 1.50 1.24 -0.01 1.49 0.00 -1.83 0.97 119.26 122.63 2x64 h ALA 108 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2x64 h ALA 108 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2x64 h ALA 108 CO -0.43 0.19 -0.32 1.28 0.00 0.00 0.00 179.25 179.97 2x64 n LEU 109 N -3.61 1.04 -1.86 0.00 4.77 -0.29 -4.14 117.00 112.91 2x64 n LEU 109 Ca -0.01 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 2x64 n LEU 109 Cb 0.28 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2x64 n LEU 109 CO 0.31 0.20 0.17 0.49 -1.33 0.00 0.00 177.39 177.23 2x64 n PHE 110 N -0.72 1.76 -1.01 -1.77 3.72 -0.80 -4.97 117.46 113.68 2x64 n PHE 110 Ca 0.11 -1.95 -0.00 0.00 -0.05 0.00 0.00 57.45 55.55 2x64 n PHE 110 Cb 0.36 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.69 0.46 0.27 1.37 0.00 -1.23 -4.94 105.19 100.43 2x64 n GLY 111 Ca 0.30 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.40 -0.02 0.00 -1.03 -3.05 103.07 96.56 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 0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 2x64 n THR 113 N -3.36 2.37 0.15 4.70 -2.24 -1.26 -4.65 114.28 109.98 2x64 n THR 113 Ca -0.01 -1.62 0.09 0.00 -2.27 0.00 0.00 64.05 60.24 2x64 n THR 113 Cb 0.25 -0.20 0.60 0.00 -2.10 0.00 0.00 70.33 68.88 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 2.78 2.02 -0.12 6.98 0.00 -1.91 -2.28 119.26 126.74 2x64 h ALA 114 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2x64 h ALA 114 Cb 1.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2x64 h ALA 114 CO 0.31 -0.05 0.16 0.10 0.00 0.00 0.00 179.25 179.77 2x64 h TYR 115 N 0.14 0.00 -0.08 0.00 -0.00 -1.86 -1.70 116.97 113.47 2x64 h TYR 115 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.81 2x64 h TYR 115 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.90 2x64 h TYR 115 CO -0.00 0.00 0.03 -0.07 -0.00 0.00 0.00 178.16 178.12 2x64 h LEU 116 N 0.00 0.09 0.00 0.10 3.38 -1.79 -3.46 115.31 113.63 2x64 h LEU 116 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2x64 h LEU 116 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2x64 h LEU 116 CO -0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 2x64 n GLN 117 N -4.50 0.00 -1.76 1.13 -0.00 -0.64 -4.94 117.38 106.67 2x64 n GLN 117 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.56 2x64 n GLN 117 Cb 0.10 -0.12 -0.03 0.00 -0.00 0.00 0.00 30.24 30.19 2x64 n GLN 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2x64 s ASP 118 N 0.00 6.48 0.27 2.61 -1.08 -1.26 -4.94 116.67 118.75 2x64 s ASP 118 Ca 0.00 2.54 -0.03 0.00 -0.52 0.00 0.00 52.55 54.53 2x64 s ASP 118 Cb 0.00 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.30 2x64 s ASP 118 CO 0.00 -1.05 1.92 -0.65 0.52 0.00 0.00 175.17 175.92 2x64 h PRO 119 N 10.44 1.20 -0.72 4.34 0.11 -1.99 -1.25 132.00 144.12 2x64 h PRO 119 Ca -0.47 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 2x64 h PRO 119 Cb 1.22 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 2x64 h PRO 119 CO 0.94 0.79 0.25 0.37 -0.21 0.00 0.00 178.00 180.15 2x64 h GLN 120 N 1.23 1.09 -0.39 1.05 4.15 -1.99 -1.42 115.11 118.84 2x64 h GLN 120 Ca 0.37 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 2x64 h GLN 120 Cb -0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 2x64 h GLN 120 CO -0.11 0.92 -0.13 0.52 -1.93 0.00 0.00 178.83 178.10 2x64 h MET 121 N 1.04 0.77 -0.33 1.69 2.86 -1.86 -1.21 114.93 117.89 2x64 h MET 121 Ca 0.23 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2x64 h MET 121 Cb 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2x64 h MET 121 CO -0.01 0.93 0.19 0.82 1.06 0.00 0.00 176.91 179.90 2x64 h ILE 122 N 0.58 1.03 -0.82 -1.22 2.04 -1.13 -1.61 117.51 116.38 2x64 h ILE 122 Ca 0.09 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2x64 h ILE 122 Cb 0.66 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2x64 h ILE 122 CO 0.05 0.07 0.50 0.00 0.00 0.00 0.00 178.15 178.77 2x64 h ALA 123 N 1.15 1.05 -0.79 1.87 0.00 -1.15 -2.02 119.26 119.37 2x64 h ALA 123 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2x64 h ALA 123 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2x64 h ALA 123 CO -0.06 0.51 0.33 0.07 0.00 0.00 0.00 179.25 180.09 2x64 h ARG 124 N 1.13 1.16 -0.36 0.00 -0.00 -0.89 -0.68 114.38 114.74 2x64 h ARG 124 Ca 0.29 -0.20 -0.07 0.00 -0.00 0.00 0.00 59.98 60.00 2x64 h ARG 124 Cb -0.05 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.97 29.71 2x64 h ARG 124 CO -0.06 0.93 -0.07 0.66 -0.00 0.00 0.00 179.97 181.43 2x64 h SER 125 N 1.14 0.58 -0.20 0.08 4.64 -0.84 -1.03 113.55 117.91 2x64 h SER 125 Ca 0.26 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 2x64 h SER 125 Cb 0.19 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2x64 h SER 125 CO -0.02 0.70 -0.54 1.56 -0.87 0.00 0.00 176.83 177.65 2x64 h GLN 126 N 0.56 0.72 -0.59 4.77 4.20 -0.93 -2.21 115.11 121.63 2x64 h GLN 126 Ca 0.11 -0.51 -0.02 0.00 0.06 0.00 0.00 58.65 58.29 2x64 h GLN 126 Cb 0.47 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2x64 h GLN 126 CO 0.02 1.13 0.30 -0.44 -0.67 0.00 0.00 178.83 179.17 2x64 h ASP 127 N 0.43 0.76 -0.31 1.46 3.32 -0.92 -1.54 116.42 119.61 2x64 h ASP 127 Ca -0.01 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.93 2x64 h ASP 127 Cb 1.16 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2x64 h ASP 127 CO 0.12 0.66 0.19 -1.13 -1.72 0.00 0.00 179.24 177.36 2x64 h ASN 128 N 0.80 0.33 -0.68 6.45 -1.24 -1.18 -0.71 115.58 119.35 2x64 h ASN 128 Ca 0.20 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.22 2x64 h ASN 128 Cb 0.09 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 2x64 h ASN 128 CO -0.03 0.24 0.45 0.00 -1.29 0.00 0.00 177.43 176.79 2x64 h ALA 129 N 1.13 0.87 -0.65 1.57 0.00 -1.15 -1.00 119.26 120.03 2x64 h ALA 129 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2x64 h ALA 129 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2x64 h ALA 129 CO -0.04 0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.55 2x64 h ARG 130 N 0.91 1.09 -0.38 0.00 3.08 -0.99 -0.97 114.38 117.10 2x64 h ARG 130 Ca 0.26 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2x64 h ARG 130 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2x64 h ARG 130 CO -0.07 1.01 -0.03 1.96 -1.07 0.00 0.00 179.97 181.78 2x64 h GLN 131 N 1.01 0.70 -0.30 0.04 4.20 -0.79 -1.02 115.11 118.95 2x64 h GLN 131 Ca 0.19 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 2x64 h GLN 131 Cb 0.47 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2x64 h GLN 131 CO 0.02 0.81 -0.33 0.87 -0.67 0.00 0.00 178.83 179.53 2x64 h LYS 132 N 0.51 0.64 -0.35 1.46 1.79 -1.11 -2.82 116.57 116.70 2x64 h LYS 132 Ca 0.11 -0.29 -0.14 0.00 -2.18 0.00 0.00 60.65 58.14 2x64 h LYS 132 Cb 0.52 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2x64 h LYS 132 CO 0.03 0.88 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.88 2x64 h LEU 133 N 0.55 0.83 -0.47 2.94 3.38 -1.12 -2.32 115.31 119.10 2x64 h LEU 133 Ca 0.06 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2x64 h LEU 133 Cb 0.82 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2x64 h LEU 133 CO 0.07 1.09 0.21 -0.09 0.09 0.00 0.00 178.44 179.81 2x64 h ARG 134 N 0.66 0.40 -0.39 1.13 9.65 -1.09 0.13 114.38 124.87 2x64 h ARG 134 Ca 0.07 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2x64 h ARG 134 Cb 0.88 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 2x64 h ARG 134 CO 0.08 0.27 0.22 0.28 2.80 0.00 0.00 179.97 183.61 2x64 h VAL 135 N 0.41 1.15 -0.67 0.20 2.07 -1.34 -0.94 116.25 117.14 2x64 h VAL 135 Ca 0.21 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2x64 h VAL 135 Cb 0.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2x64 h VAL 135 CO -0.17 0.15 0.22 -0.07 0.02 0.00 0.00 177.57 177.72 2x64 h LEU 136 N 0.51 0.97 -0.92 2.57 3.38 -1.04 -2.63 115.31 118.14 2x64 h LEU 136 Ca 0.14 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2x64 h LEU 136 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2x64 h LEU 136 CO -0.02 0.91 -0.41 1.88 0.09 0.00 0.00 178.44 180.89 2x64 h TYR 137 N 0.97 0.00 -0.32 1.13 0.05 -0.79 -2.25 116.97 115.76 2x64 h TYR 137 Ca 0.22 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.86 2x64 h TYR 137 Cb 0.28 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2x64 h TYR 137 CO 0.02 0.41 -0.37 1.96 -1.05 0.00 0.00 178.16 179.13 2x64 h GLN 138 N 0.00 0.73 0.01 4.88 4.20 -0.95 0.06 115.11 124.05 2x64 h GLN 138 Ca -0.00 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 2x64 h GLN 138 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2x64 h GLN 138 CO 0.05 0.98 -0.01 -0.09 -0.67 0.00 0.00 178.83 179.10 2x64 h ARG 139 N 0.61 -0.02 -0.83 1.46 2.43 -1.30 -0.22 114.38 116.51 2x64 h ARG 139 Ca 0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2x64 h ARG 139 Cb 0.91 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 2x64 h ARG 139 CO 0.08 0.15 0.43 0.00 -1.51 0.00 0.00 179.97 179.12 2x64 h ALA 140 N 0.81 1.06 -0.55 2.80 0.00 -1.31 -2.03 119.26 120.04 2x64 h ALA 140 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2x64 h ALA 140 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2x64 h ALA 140 CO 0.00 0.59 0.10 0.22 0.00 0.00 0.00 179.25 180.17 2x64 h ASP 141 N 1.16 0.87 -0.61 0.00 3.58 -0.86 -0.22 116.42 120.34 2x64 h ASP 141 Ca 0.29 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2x64 h ASP 141 Cb 0.06 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 2x64 h ASP 141 CO -0.04 0.90 0.25 0.00 -2.88 0.00 0.00 179.24 177.47 2x64 h ALA 142 N 1.00 1.24 -0.24 -0.78 0.00 -0.75 -1.53 119.26 118.20 2x64 h ALA 142 Ca 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2x64 h ALA 142 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2x64 h ALA 142 CO 0.01 0.56 -0.18 1.25 0.00 0.00 0.00 179.25 180.89 2x64 h HIS 143 N 0.92 0.64 0.00 0.00 -0.00 -1.17 -3.17 115.15 112.37 2x64 h HIS 143 Ca 0.22 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2x64 h HIS 143 Cb 0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2x64 h HIS 143 CO 0.01 0.84 0.00 1.28 -0.00 0.00 0.00 177.93 180.07 2x64 n LEU 144 N -4.43 0.53 -0.02 0.26 4.77 -0.11 -2.71 117.00 115.28 2x64 n LEU 144 Ca -0.04 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 2x64 n LEU 144 Cb 0.39 -0.52 0.26 0.00 -2.33 0.00 0.00 43.42 41.22 2x64 n LEU 144 CO 0.42 -0.43 0.92 0.11 -1.33 0.00 0.00 177.39 177.08 2x64 h LYS 145 N 0.00 0.58 -0.06 3.23 1.57 -1.25 -3.21 116.57 117.42 2x64 h LYS 145 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2x64 h LYS 145 Cb 0.40 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2x64 h LYS 145 CO 0.00 0.61 0.00 0.72 -0.57 0.00 0.00 179.45 180.21 2x64 n HIS 146 N -4.26 0.08 -3.78 -1.35 8.25 -1.18 -4.99 115.22 107.99 2x64 n HIS 146 Ca 0.02 -0.52 -0.14 0.00 -0.26 0.00 0.00 57.72 56.81 2x64 n HIS 146 Cb 0.26 -0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.17 2x64 n HIS 146 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2x64 s HIS 147 N -1.09 -0.03 0.12 4.41 3.76 -1.10 -5.05 115.29 116.30 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 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.53 2x64 s HIS 147 CO 0.03 -0.09 1.71 -0.91 -0.85 0.00 0.00 174.74 174.62 2x64 h ASN 148 N 7.00 -0.16 -4.61 1.40 2.35 -1.88 -3.40 115.58 116.29 2x64 h ASN 148 Ca -0.40 0.05 -0.30 0.00 -0.55 0.00 0.00 56.30 55.10 2x64 h ASN 148 Cb 1.14 0.10 -0.15 0.00 0.05 0.00 0.00 38.32 39.47 2x64 h ASN 148 CO 0.47 -0.06 -0.64 0.26 -1.65 0.00 0.00 177.43 175.81 2x64 s TRP 149 N -6.20 1.30 0.09 1.19 0.52 -1.26 -5.01 118.94 109.57 2x64 s TRP 149 Ca -0.13 -1.10 -0.28 0.00 0.02 0.00 0.00 56.10 54.60 2x64 s TRP 149 Cb 0.10 -0.75 -0.14 0.00 -1.15 0.00 0.00 33.47 31.53 2x64 s TRP 149 CO 0.68 -0.29 1.67 -0.07 0.02 0.00 0.00 176.95 178.95 2x64 h LEU 150 N 2.59 -0.51 -8.60 2.99 3.38 -1.87 -3.40 115.31 109.90 2x64 h LEU 150 Ca -0.37 0.04 -0.69 0.00 0.09 0.00 0.00 57.88 56.95 2x64 h LEU 150 Cb 1.22 0.16 -0.29 0.00 0.09 0.00 0.00 40.66 41.84 2x64 h LEU 150 CO 0.61 -0.31 -0.86 0.00 0.09 0.00 0.00 178.44 177.98 2x64 s ALA 151 N -6.10 2.29 -1.73 1.53 0.00 -1.26 -4.77 121.76 111.71 2x64 s ALA 151 Ca -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2x64 s ALA 151 Cb 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2x64 s ALA 151 CO 0.64 0.45 0.00 0.09 0.00 0.00 0.00 175.76 176.95 2x64 n ASN 152 N 2.76 -4.34 -1.67 0.00 3.02 -1.26 -2.48 115.26 111.29 2x64 n ASN 152 Ca -0.17 0.40 -0.21 0.00 -0.03 0.00 0.00 54.58 54.57 2x64 n ASN 152 Cb 0.52 -3.93 -0.08 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.32 1.76 2.99 7.41 0.00 -1.26 -4.96 105.19 110.80 2x64 n GLY 153 Ca -0.16 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2x64 n GLY 153 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x64 s GLN 154 N -3.89 0.41 0.37 1.61 -0.21 -1.04 -4.60 119.66 112.32 2x64 s GLN 154 Ca 0.00 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.71 2x64 s GLN 154 Cb 0.00 -0.29 -0.11 0.00 1.00 0.00 0.00 33.01 33.61 2x64 s GLN 154 CO 0.00 0.07 1.50 -0.98 -2.12 0.00 0.00 175.29 173.76 2x64 s ARG 155 N -0.69 4.10 0.23 2.91 1.70 -1.26 -4.47 118.95 121.47 2x64 s ARG 155 Ca -0.03 2.58 0.00 0.00 -0.47 0.00 0.00 55.73 57.81 2x64 s ARG 155 Cb -0.05 -2.97 0.00 0.00 -0.57 0.00 0.00 34.95 31.36 2x64 s ARG 155 CO -0.00 -0.55 0.30 -1.13 -1.08 0.00 0.00 175.30 172.83 2x64 n SER 156 N 0.61 -0.81 0.29 -2.89 3.41 -1.26 -4.42 113.62 108.54 2x64 n SER 156 Ca 0.02 -2.29 0.15 0.00 -0.26 0.00 0.00 58.87 56.48 2x64 n SER 156 Cb 0.39 1.57 0.87 0.00 -0.26 0.00 0.00 64.21 66.77 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 1.31 0.00 1.00 5.00 0.00 -1.91 -2.40 103.07 106.08 2x64 h GLY 157 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2x64 h GLY 157 CO 0.24 0.00 0.18 0.00 0.00 0.00 0.00 176.54 176.96 2x64 h ALA 158 N 1.95 0.34 -0.39 3.60 0.00 -1.90 -1.44 119.26 121.43 2x64 h ALA 158 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2x64 h ALA 158 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2x64 h ALA 158 CO 0.01 -0.19 0.02 -0.44 0.00 0.00 0.00 179.25 178.65 2x64 h ASP 159 N 0.36 0.66 -0.66 0.00 3.32 -1.80 -1.27 116.42 117.03 2x64 h ASP 159 Ca 0.10 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.91 2x64 h ASP 159 Cb -0.04 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 2x64 h ASP 159 CO -0.02 0.79 0.37 0.00 -1.72 0.00 0.00 179.24 178.66 2x64 h ALA 160 N 0.89 0.89 -0.11 3.45 0.00 -1.37 -0.95 119.26 122.05 2x64 h ALA 160 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2x64 h ALA 160 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2x64 h ALA 160 CO 0.02 0.06 -0.04 -0.92 0.00 0.00 0.00 179.25 178.37 2x64 h TYR 161 N 0.70 0.26 -0.60 0.00 5.03 -1.17 -2.68 116.97 118.50 2x64 h TYR 161 Ca 0.29 -0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.61 2x64 h TYR 161 Cb 0.17 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.33 2x64 h TYR 161 CO -0.08 0.55 0.31 1.25 -1.32 0.00 0.00 178.16 178.87 2x64 h LEU 162 N -0.11 0.43 -0.51 2.82 5.85 -1.02 -2.54 115.31 120.22 2x64 h LEU 162 Ca 0.03 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2x64 h LEU 162 Cb 0.47 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2x64 h LEU 162 CO 0.01 0.28 0.25 0.22 -0.34 0.00 0.00 178.44 178.86 2x64 h TYR 163 N 0.57 0.46 -0.91 1.25 3.20 -1.12 -2.26 116.97 118.15 2x64 h TYR 163 Ca 0.28 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2x64 h TYR 163 Cb 0.21 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2x64 h TYR 163 CO -0.10 0.22 0.51 0.28 -1.64 0.00 0.00 178.16 177.43 2x64 h VAL 164 N 0.49 1.26 -0.41 1.81 2.07 -1.12 -2.28 116.25 118.06 2x64 h VAL 164 Ca 0.23 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2x64 h VAL 164 Cb 0.15 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2x64 h VAL 164 CO -0.17 0.29 -0.07 0.71 0.02 0.00 0.00 177.57 178.35 2x64 h THR 165 N 1.27 1.24 -0.24 2.57 1.35 -1.20 -2.78 112.91 115.12 2x64 h THR 165 Ca 0.32 -1.06 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 2x64 h THR 165 Cb 0.00 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 2x64 h THR 165 CO -0.05 0.36 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.45 2x64 h LEU 166 N 0.65 0.36 -0.78 3.87 3.38 -0.87 -0.63 115.31 121.28 2x64 h LEU 166 Ca 0.12 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2x64 h LEU 166 Cb 0.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2x64 h LEU 166 CO 0.03 0.47 0.03 0.03 0.09 0.00 0.00 178.44 179.09 2x64 h ARG 167 N 0.36 0.95 -0.47 1.13 3.08 -1.17 -2.38 114.38 115.88 2x64 h ARG 167 Ca 0.08 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 2x64 h ARG 167 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2x64 h ARG 167 CO 0.02 0.92 -0.22 -1.49 -1.07 0.00 0.00 179.97 178.12 2x64 h TRP 168 N 0.89 1.11 -0.95 3.04 6.55 -1.01 -2.83 115.95 122.74 2x64 h TRP 168 Ca 0.17 -0.27 0.10 0.00 0.95 0.00 0.00 58.89 59.85 2x64 h TRP 168 Cb 0.48 -0.26 -0.08 0.00 -0.86 0.00 0.00 29.16 28.44 2x64 h TRP 168 CO 0.03 1.08 0.58 0.00 -1.05 0.00 0.00 178.44 179.09 2x64 h ALA 169 N 0.90 1.39 -0.06 1.49 0.00 -1.01 0.12 119.26 122.10 2x64 h ALA 169 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x64 h ALA 169 Cb 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2x64 h ALA 169 CO 0.07 0.22 0.00 1.63 0.00 0.00 0.00 179.25 181.16 2x64 n LYS 170 N -4.64 1.14 0.00 0.00 5.02 -0.91 -1.45 118.16 117.31 2x64 n LYS 170 Ca 0.17 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2x64 n LYS 170 Cb 0.31 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.33 2.80 -0.18 1.97 4.76 -0.15 -4.83 118.16 122.19 2x64 n LYS 171 Ca 0.02 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.52 2x64 n LYS 171 Cb 0.05 -0.90 0.16 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.61 0.95 -1.75 -0.18 0.24 -0.15 -5.01 118.33 110.82 2x64 n VAL 172 Ca 0.00 -0.97 -0.01 0.00 -2.04 0.00 0.00 64.34 61.31 2x64 n VAL 172 Cb 0.32 0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.58 0.36 3.71 7.63 0.00 -0.93 -5.03 105.19 111.52 2x64 n GLY 173 Ca 0.12 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 4.17 -0.28 1.61 1.01 -0.53 -4.97 120.40 119.36 2x64 s VAL 174 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 2x64 s VAL 174 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2x64 s VAL 174 CO 0.00 0.12 1.53 -0.62 0.00 0.00 0.00 175.10 176.13 2x64 s ASP 175 N 1.07 6.39 0.00 3.32 2.15 -1.26 -4.74 116.67 123.60 2x64 s ASP 175 Ca 0.58 1.39 0.07 0.00 0.43 0.00 0.00 52.55 55.01 2x64 s ASP 175 Cb -0.28 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 39.99 2x64 s ASP 175 CO 0.29 -1.29 1.14 0.18 -0.17 0.00 0.00 175.17 175.32 2x64 n LEU 176 N 8.49 2.53 -4.76 -1.34 4.77 -1.26 -4.75 117.00 120.69 2x64 n LEU 176 Ca 0.18 -1.94 -0.39 0.00 -0.03 0.00 0.00 56.01 53.83 2x64 n LEU 176 Cb 0.46 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 2x64 n LEU 176 CO 0.65 0.63 0.97 -0.94 -1.33 0.00 0.00 177.39 177.37 2x64 s SER 177 N -0.98 5.84 0.00 -1.43 1.04 -1.26 -2.87 113.70 114.05 2x64 s SER 177 Ca 0.14 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.27 2x64 s SER 177 Cb 0.08 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2x64 s SER 177 CO 0.10 -1.18 0.00 -1.20 0.98 0.00 0.00 173.24 171.94 2x64 n SER 178 N -0.43 -4.64 -4.04 7.02 7.64 -1.26 -4.93 113.62 112.99 2x64 n SER 178 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 2x64 n SER 178 Cb 0.44 -2.16 -0.01 0.00 -1.01 0.00 0.00 64.21 61.47 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 5.70 -0.17 -3.43 4.77 -1.14 -4.88 117.00 117.86 2x64 n LEU 179 Ca 0.00 -5.19 -0.06 0.00 -0.03 0.00 0.00 56.01 50.73 2x64 n LEU 179 Cb 0.28 -1.24 0.11 0.00 -2.33 0.00 0.00 43.42 40.24 2x64 n LEU 179 CO 0.00 1.64 0.91 0.44 -1.33 0.00 0.00 177.39 179.04 2x64 h ASP 180 N 5.65 0.90 0.01 -1.43 3.32 -1.92 -0.35 116.42 122.62 2x64 h ASP 180 Ca 0.19 -0.21 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 2x64 h ASP 180 Cb 0.70 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2x64 h ASP 180 CO 1.16 0.92 -0.72 0.00 -1.72 0.00 0.00 179.24 178.88 2x64 h ALA 181 N 1.19 0.47 -0.44 3.45 0.00 -1.90 -1.40 119.26 120.62 2x64 h ALA 181 Ca 0.18 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2x64 h ALA 181 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2x64 h ALA 181 CO 0.01 0.71 -0.21 1.25 0.00 0.00 0.00 179.25 181.01 2x64 h LEU 182 N 0.44 0.91 -0.31 0.00 5.85 -1.79 -1.87 115.31 118.53 2x64 h LEU 182 Ca -0.03 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 2x64 h LEU 182 Cb 1.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2x64 h LEU 182 CO 0.14 1.09 0.06 -1.28 -0.34 0.00 0.00 178.44 178.11 2x64 h SER 183 N 0.78 0.49 -0.40 1.25 0.87 -0.98 -1.42 113.55 114.13 2x64 h SER 183 Ca 0.10 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2x64 h SER 183 Cb 0.76 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2x64 h SER 183 CO 0.06 0.61 0.02 0.00 -0.53 0.00 0.00 176.83 176.99 2x64 h ALA 184 N 0.90 1.14 -0.27 6.23 0.00 -1.18 -2.11 119.26 123.97 2x64 h ALA 184 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2x64 h ALA 184 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x64 h ALA 184 CO 0.00 0.56 0.13 0.35 0.00 0.00 0.00 179.25 180.29 2x64 h PHE 185 N 0.73 0.39 -0.65 0.00 3.57 -1.14 -0.96 116.94 118.88 2x64 h PHE 185 Ca 0.15 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2x64 h PHE 185 Cb 0.42 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2x64 h PHE 185 CO 0.02 0.36 0.40 0.35 -2.23 0.00 0.00 178.31 177.22 2x64 h PHE 186 N 0.30 0.76 -0.35 0.41 3.57 -0.95 -1.66 116.94 119.00 2x64 h PHE 186 Ca 0.09 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.45 2x64 h PHE 186 Cb 0.12 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 2x64 h PHE 186 CO -0.02 0.44 -0.44 0.93 -2.23 0.00 0.00 178.31 176.99 2x64 h GLU 187 N 0.79 0.91 -0.60 1.11 4.39 -1.23 -1.90 114.58 118.05 2x64 h GLU 187 Ca 0.26 -0.51 0.03 0.00 0.34 0.00 0.00 59.36 59.48 2x64 h GLU 187 Cb 0.01 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2x64 h GLU 187 CO -0.10 1.15 0.36 0.00 -1.16 0.00 0.00 179.01 179.27 2x64 h ARG 188 N 0.73 0.69 -0.03 2.33 3.08 -0.97 -1.85 114.38 118.36 2x64 h ARG 188 Ca 0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2x64 h ARG 188 Cb 1.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 2x64 h ARG 188 CO 0.10 0.46 0.02 0.52 -1.07 0.00 0.00 179.97 180.00 2x64 h MET 189 N 0.71 0.05 0.00 0.04 2.86 -1.19 -2.78 114.93 114.62 2x64 h MET 189 Ca 0.24 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2x64 h MET 189 Cb 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2x64 h MET 189 CO -0.11 0.06 0.00 0.93 1.06 0.00 0.00 176.91 178.85 2x64 h GLU 190 N 0.02 0.00 0.00 1.72 5.08 -0.99 -1.18 114.58 119.23 2x64 h GLU 190 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2x64 h GLU 190 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2x64 h GLU 190 CO -0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 179.01 177.39 2x64 n ALA 191 N -1.85 3.16 -2.26 3.43 0.00 -0.73 -4.70 120.51 117.57 2x64 n ALA 191 Ca 0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2x64 n ALA 191 Cb 0.21 -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 -3.78 7.05 0.36 0.00 -1.08 -0.45 -4.96 116.67 113.81 2x64 s ASP 192 Ca 0.08 2.13 0.06 0.00 -0.52 0.00 0.00 52.55 54.30 2x64 s ASP 192 Cb 0.15 -2.59 0.70 0.00 -1.46 0.00 0.00 42.92 39.72 2x64 s ASP 192 CO 0.72 -0.46 1.93 1.55 0.52 0.00 0.00 175.17 179.43 2x64 h PRO 193 N 6.26 0.47 -0.41 4.34 0.13 -1.91 -1.63 132.00 139.25 2x64 h PRO 193 Ca -0.43 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 2x64 h PRO 193 Cb 1.21 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2x64 h PRO 193 CO 0.80 0.47 -0.11 0.78 -0.23 0.00 0.00 178.00 179.70 2x64 h GLY 194 N 0.74 0.87 0.84 1.56 0.00 -1.93 -0.64 103.07 104.51 2x64 h GLY 194 Ca 0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2x64 h GLY 194 CO 0.00 0.66 0.03 -2.08 0.00 0.00 0.00 176.54 175.16 2x64 h VAL 195 N 0.62 1.17 -0.38 4.60 2.07 -1.77 -2.38 116.25 120.18 2x64 h VAL 195 Ca 0.10 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2x64 h VAL 195 Cb 0.64 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2x64 h VAL 195 CO 0.04 0.15 0.25 1.56 0.02 0.00 0.00 177.57 179.59 2x64 h GLN 196 N -0.02 0.49 -0.70 1.57 4.20 -1.26 0.02 115.11 119.41 2x64 h GLN 196 Ca 0.03 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2x64 h GLN 196 Cb 0.20 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 2x64 h GLN 196 CO -0.00 0.32 0.43 0.00 -0.67 0.00 0.00 178.83 178.91 2x64 h ALA 197 N 1.14 0.93 0.22 3.87 0.00 -1.13 -0.31 119.26 123.97 2x64 h ALA 197 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x64 h ALA 197 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2x64 h ALA 197 CO -0.04 0.19 -0.10 0.00 0.00 0.00 0.00 179.25 179.30 2x64 h ALA 198 N 1.31 -0.29 -0.49 0.00 0.00 -0.89 -1.22 119.26 117.69 2x64 h ALA 198 Ca 0.29 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2x64 h ALA 198 Cb 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2x64 h ALA 198 CO -0.12 -0.55 0.16 -0.07 0.00 0.00 0.00 179.25 178.67 2x64 h LEU 199 N -0.52 0.15 -0.08 0.00 3.38 -0.88 -1.61 115.31 115.75 2x64 h LEU 199 Ca -0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2x64 h LEU 199 Cb 0.39 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2x64 h LEU 199 CO 0.05 0.12 0.03 -0.61 0.09 0.00 0.00 178.44 178.12 2x64 h GLN 200 N 0.33 0.12 -0.77 1.13 4.15 -1.03 0.15 115.11 119.19 2x64 h GLN 200 Ca 0.24 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.72 2x64 h GLN 200 Cb 0.26 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 2x64 h GLN 200 CO -0.25 0.23 0.50 0.00 -1.93 0.00 0.00 178.83 177.39 2x64 h ALA 201 N 0.88 1.76 -0.00 3.38 0.00 -0.99 -0.30 119.26 123.99 2x64 h ALA 201 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x64 h ALA 201 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2x64 h ALA 201 CO -0.00 0.09 -0.15 0.39 0.00 0.00 0.00 179.25 179.57 2x64 n GLU 202 N -4.50 0.44 -2.54 0.00 1.02 -0.63 -4.95 120.64 109.48 2x64 n GLU 202 Ca 0.12 -0.15 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2x64 n GLU 202 Cb 0.31 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.36 0.52 0.27 0.62 0.00 -0.12 -4.73 105.19 103.10 2x64 n GLY 203 Ca 0.11 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.63 2x64 n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x64 n LEU 204 N -1.20 1.43 0.00 0.99 4.77 0.45 -5.01 117.00 118.42 2x64 n LEU 204 Ca -0.01 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2x64 n LEU 204 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2x64 n LEU 204 CO 0.11 0.29 0.00 -0.38 -1.33 0.00 0.00 177.39 176.08