#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ane s ILE 9 N 0.00 0.02 -0.10 0.55 -4.36 0.41 -4.96 121.20 112.75 2ane s ILE 9 Ca 0.00 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 2ane s ILE 9 Cb 0.00 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 2ane s ILE 9 CO 0.00 -0.09 -0.21 -0.70 0.24 0.00 0.00 174.94 174.18 2ane s GLU 10 N -4.07 3.10 -0.10 0.37 2.12 -1.26 -0.43 118.70 118.44 2ane s GLU 10 Ca 0.29 -0.83 -0.18 0.00 0.36 0.00 0.00 54.97 54.60 2ane s GLU 10 Cb 0.04 -2.37 0.04 0.00 0.26 0.00 0.00 34.13 32.10 2ane s GLU 10 CO 0.08 0.20 0.45 -1.50 -0.54 0.00 0.00 175.26 173.95 2ane s ILE 11 N 0.31 0.02 0.43 -3.70 2.07 -0.33 -4.98 121.20 115.03 2ane s ILE 11 Ca -0.16 -0.16 -0.26 0.00 -1.41 0.00 0.00 60.65 58.66 2ane s ILE 11 Cb -0.17 -0.70 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 2ane s ILE 11 CO 0.08 -0.09 1.40 -2.84 -1.91 0.00 0.00 174.94 171.58 2ane s PRO 12 N -0.53 3.78 -0.20 3.50 0.02 -1.26 -0.96 135.00 139.34 2ane s PRO 12 Ca -0.07 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 2ane s PRO 12 Cb -0.03 -2.70 -0.00 0.00 0.02 0.00 0.00 34.50 31.79 2ane s PRO 12 CO 0.03 -0.72 -0.09 0.08 -0.33 0.00 0.00 177.00 175.97 2ane s VAL 13 N -1.21 2.99 -0.28 3.83 1.01 -0.13 -1.19 120.40 125.42 2ane s VAL 13 Ca 0.59 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 2ane s VAL 13 Cb -0.42 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2ane s VAL 13 CO 0.55 0.46 0.11 -0.22 0.00 0.00 0.00 175.10 176.00 2ane s LEU 14 N 1.35 3.76 0.36 3.92 2.96 -0.10 -4.25 118.68 126.69 2ane s LEU 14 Ca 0.04 -0.32 -0.25 0.00 -0.22 0.00 0.00 54.13 53.39 2ane s LEU 14 Cb -0.14 -1.97 -0.10 0.00 0.50 0.00 0.00 46.19 44.48 2ane s LEU 14 CO -0.05 -0.10 0.97 -2.16 -1.32 0.00 0.00 176.35 173.69 2ane s PRO 15 N 1.63 4.41 -0.07 0.98 0.04 -1.26 -2.08 135.00 138.64 2ane s PRO 15 Ca 0.06 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2ane s PRO 15 Cb -0.16 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2ane s PRO 15 CO 0.05 0.11 -0.19 -0.51 0.04 0.00 0.00 177.00 176.50 2ane s LEU 16 N -2.43 1.91 -0.22 -3.56 1.43 0.83 -4.88 118.68 111.76 2ane s LEU 16 Ca 0.54 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2ane s LEU 16 Cb -0.18 -1.11 -0.12 0.00 0.03 0.00 0.00 46.19 44.82 2ane s LEU 16 CO 0.23 0.13 -0.25 -1.14 0.23 0.00 0.00 176.35 175.55 2ane n ARG 17 N 3.42 0.50 0.06 1.70 0.63 -1.26 -3.62 116.66 118.10 2ane n ARG 17 Ca -0.20 0.17 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 2ane n ARG 17 Cb 0.52 -1.36 -0.11 0.00 0.45 0.00 0.00 32.46 31.97 2ane n ARG 17 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2ane h ASP 18 N -0.46 0.00 -4.58 6.15 3.32 -1.98 -3.48 116.42 115.40 2ane h ASP 18 Ca -0.53 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.27 2ane h ASP 18 Cb 1.61 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 41.01 2ane h ASP 18 CO -0.23 0.94 -0.69 0.68 -1.72 0.00 0.00 179.24 178.23 2ane s VAL 19 N -2.72 0.69 -0.13 -1.35 -7.23 -1.26 -5.14 120.40 103.25 2ane s VAL 19 Ca 0.00 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2ane s VAL 19 Cb 0.09 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2ane s VAL 19 CO 0.81 -0.75 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.06 2ane s VAL 20 N -3.63 3.33 -0.18 1.32 1.01 -1.26 -4.85 120.40 116.13 2ane s VAL 20 Ca 0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2ane s VAL 20 Cb 0.05 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2ane s VAL 20 CO -0.02 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 2ane s VAL 21 N 0.22 2.44 0.40 2.92 1.01 -1.26 -5.12 120.40 121.01 2ane s VAL 21 Ca -0.07 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2ane s VAL 21 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2ane s VAL 21 CO 0.04 0.51 0.23 -0.31 0.00 0.00 0.00 175.10 175.58 2ane s TYR 22 N 1.24 2.65 0.38 5.22 2.02 -1.26 -4.57 117.35 123.03 2ane s TYR 22 Ca 0.03 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 55.94 2ane s TYR 22 Cb -0.14 -1.98 -0.11 0.00 -0.40 0.00 0.00 41.96 39.33 2ane s TYR 22 CO -0.08 0.12 1.15 -2.30 -1.57 0.00 0.00 175.55 172.86 2ane n PRO 23 N -1.31 1.70 0.00 -1.71 -0.02 -1.26 -1.77 135.00 130.62 2ane n PRO 23 Ca -0.00 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2ane n PRO 23 Cb 0.63 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2ane n PRO 23 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ane n HIS 24 N -0.08 0.00 -2.54 6.00 8.25 0.02 -4.93 115.22 121.95 2ane n HIS 24 Ca 0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 2ane n HIS 24 Cb 0.37 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 2ane n HIS 24 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ane s MET 25 N -0.14 4.62 -0.13 -0.41 -1.94 -0.73 -4.79 119.30 115.78 2ane s MET 25 Ca 0.00 1.70 0.01 0.00 -1.71 0.00 0.00 55.69 55.68 2ane s MET 25 Cb 0.00 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 2ane s MET 25 CO 0.00 0.12 -0.15 0.08 -0.01 0.00 0.00 175.02 175.05 2ane s VAL 26 N -0.35 2.78 -0.08 -6.03 1.01 -1.26 -0.43 120.40 116.04 2ane s VAL 26 Ca 0.48 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 2ane s VAL 26 Cb -0.29 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2ane s VAL 26 CO 0.35 0.52 0.38 -0.51 0.00 0.00 0.00 175.10 175.85 2ane s ILE 27 N 0.52 0.02 -0.14 2.22 2.07 -0.26 -5.00 121.20 120.64 2ane s ILE 27 Ca -0.10 -0.20 -0.24 0.00 -1.41 0.00 0.00 60.65 58.70 2ane s ILE 27 Cb -0.16 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 2ane s ILE 27 CO 0.04 -0.11 0.74 -2.84 -1.91 0.00 0.00 174.94 170.86 2ane s PRO 28 N -0.56 4.33 0.00 3.50 0.02 -1.26 -1.62 135.00 139.41 2ane s PRO 28 Ca -0.07 0.89 0.04 0.00 0.02 0.00 0.00 61.00 61.88 2ane s PRO 28 Cb -0.04 -3.53 -0.03 0.00 0.02 0.00 0.00 34.50 30.92 2ane s PRO 28 CO 0.03 -0.18 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.92 2ane s LEU 29 N 1.64 3.04 -0.17 -5.54 1.43 0.35 -4.96 118.68 114.47 2ane s LEU 29 Ca 0.36 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 2ane s LEU 29 Cb -0.17 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2ane s LEU 29 CO 0.14 0.28 -0.01 0.12 0.23 0.00 0.00 176.35 177.12 2ane s PHE 30 N -0.96 3.07 -0.18 0.29 2.19 -1.26 -0.40 117.98 120.72 2ane s PHE 30 Ca 0.16 -0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.15 2ane s PHE 30 Cb -0.11 -2.02 0.04 0.00 -1.31 0.00 0.00 43.02 39.62 2ane s PHE 30 CO 0.06 -0.06 -0.09 0.08 1.83 0.00 0.00 175.22 177.04 2ane s VAL 31 N 0.56 1.49 -0.18 3.12 1.01 0.55 -4.98 120.40 121.97 2ane s VAL 31 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2ane s VAL 31 Cb -0.14 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.71 2ane s VAL 31 CO 0.02 0.19 0.88 0.61 0.00 0.00 0.00 175.10 176.80 2ane n GLY 32 N 4.75 1.53 3.68 4.51 0.00 -1.26 -1.08 105.19 117.32 2ane n GLY 32 Ca -0.14 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2ane n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ane s ARG 33 N -0.72 3.14 0.21 1.61 0.52 -1.26 -4.93 118.95 117.53 2ane s ARG 33 Ca 0.03 -0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 54.75 2ane s ARG 33 Cb 0.02 -2.86 0.30 0.00 0.52 0.00 0.00 34.95 32.93 2ane s ARG 33 CO 0.02 0.65 1.68 0.93 0.02 0.00 0.00 175.30 178.60 2ane h GLU 34 N 5.36 0.17 -0.67 3.54 4.39 -1.95 -0.05 114.58 125.37 2ane h GLU 34 Ca -0.49 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.22 2ane h GLU 34 Cb 1.19 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2ane h GLU 34 CO 0.56 0.11 0.43 -0.22 -1.16 0.00 0.00 179.01 178.74 2ane h LYS 35 N 0.17 0.85 -0.08 2.33 3.64 -1.95 0.06 116.57 121.58 2ane h LYS 35 Ca 0.32 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 2ane h LYS 35 Cb 0.51 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2ane h LYS 35 CO -0.48 0.56 -0.51 0.77 -2.27 0.00 0.00 179.45 177.52 2ane h SER 36 N 0.87 0.23 -0.57 4.20 0.02 -1.68 -1.73 113.55 114.89 2ane h SER 36 Ca 0.25 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2ane h SER 36 Cb -0.06 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2ane h SER 36 CO -0.07 0.70 -0.04 0.40 -1.14 0.00 0.00 176.83 176.69 2ane h ILE 37 N 0.17 1.27 -0.25 3.27 2.04 -0.34 -1.71 117.51 121.95 2ane h ILE 37 Ca 0.00 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 2ane h ILE 37 Cb 0.96 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2ane h ILE 37 CO 0.08 0.42 -0.11 0.03 0.00 0.00 0.00 178.15 178.58 2ane h ARG 38 N 0.92 0.40 -0.08 2.37 3.08 -0.62 -0.53 114.38 119.92 2ane h ARG 38 Ca 0.16 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2ane h ARG 38 Cb 0.60 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2ane h ARG 38 CO 0.04 0.52 0.02 0.00 -1.07 0.00 0.00 179.97 179.47 2ane h LEU 40 N 0.06 0.89 -0.93 0.00 3.38 -0.51 -1.92 115.31 116.29 2ane h LEU 40 Ca 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2ane h LEU 40 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2ane h LEU 40 CO -0.04 0.67 0.00 -0.33 0.09 0.00 0.00 178.44 178.83 2ane h GLU 41 N 1.04 0.79 -0.60 1.13 5.08 -0.73 -0.95 114.58 120.34 2ane h GLU 41 Ca 0.28 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2ane h GLU 41 Cb -0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2ane h GLU 41 CO -0.06 0.79 0.16 0.00 -1.00 0.00 0.00 179.01 178.91 2ane h ALA 42 N 1.26 0.79 -0.62 3.43 0.00 -0.73 -2.58 119.26 120.81 2ane h ALA 42 Ca 0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2ane h ALA 42 Cb 0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2ane h ALA 42 CO 0.02 0.48 0.09 0.00 0.00 0.00 0.00 179.25 179.83 2ane h ALA 43 N 1.05 0.98 0.00 0.00 0.00 -0.86 -1.85 119.26 118.58 2ane h ALA 43 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ane h ALA 43 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ane h ALA 43 CO -0.00 0.64 0.00 -1.33 0.00 0.00 0.00 179.25 178.56 2ane n MET 44 N -4.22 0.03 -0.01 0.00 2.00 -0.40 0.03 117.12 114.55 2ane n MET 44 Ca 0.04 0.27 0.10 0.00 0.00 0.00 0.00 57.70 58.12 2ane n MET 44 Cb 0.29 -1.50 -0.16 0.00 0.00 0.00 0.00 33.22 31.85 2ane n MET 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2ane n ASP 45 N -1.46 0.24 0.00 7.83 8.00 -0.76 -4.73 116.55 125.67 2ane n ASP 45 Ca 0.03 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2ane n ASP 45 Cb 0.13 1.94 0.00 0.00 -0.02 0.00 0.00 41.12 43.18 2ane n ASP 45 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2ane n HIS 46 N -2.21 0.00 -1.32 1.24 -0.00 -0.79 -4.95 115.22 107.19 2ane n HIS 46 Ca -0.04 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.09 2ane n HIS 46 Cb 0.54 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.62 2ane n HIS 46 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2ane n ASP 47 N 0.00 3.04 -1.78 0.26 8.00 -1.20 -4.94 116.55 119.93 2ane n ASP 47 Ca 0.00 -3.60 -0.19 0.00 0.71 0.00 0.00 54.79 51.71 2ane n ASP 47 Cb 0.00 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 2ane n ASP 47 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ane n LYS 48 N -0.97 -1.42 -4.45 -1.24 5.02 0.10 -4.93 118.16 110.27 2ane n LYS 48 Ca 0.36 1.07 -0.32 0.00 -2.02 0.00 0.00 58.31 57.41 2ane n LYS 48 Cb 1.14 -5.50 -0.11 0.00 -0.02 0.00 0.00 35.03 30.55 2ane n LYS 48 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ane s LYS 49 N -4.19 2.43 0.05 1.97 1.02 -1.26 -0.45 119.74 119.31 2ane s LYS 49 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.21 2ane s LYS 49 Cb 0.00 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2ane s LYS 49 CO 0.00 0.58 -0.08 0.96 -0.92 0.00 0.00 175.35 175.89 2ane s ILE 50 N -1.02 0.56 -0.22 2.17 -4.36 0.46 -4.56 121.20 114.23 2ane s ILE 50 Ca 0.18 -1.19 -0.09 0.00 -0.26 0.00 0.00 60.65 59.29 2ane s ILE 50 Cb -0.11 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 2ane s ILE 50 CO 0.08 -0.44 0.10 -0.32 0.24 0.00 0.00 174.94 174.60 2ane s MET 51 N -1.87 3.94 -0.22 0.37 -2.45 -0.34 -0.19 119.30 118.54 2ane s MET 51 Ca -0.07 -0.35 -0.13 0.00 -1.25 0.00 0.00 55.69 53.89 2ane s MET 51 Cb -0.08 -3.37 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 2ane s MET 51 CO -0.00 0.08 0.28 -0.51 1.05 0.00 0.00 175.02 175.91 2ane s LEU 52 N 0.94 4.13 0.03 4.11 1.43 0.01 -0.92 118.68 128.41 2ane s LEU 52 Ca 0.05 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 2ane s LEU 52 Cb -0.14 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 2ane s LEU 52 CO 0.03 -0.00 -0.11 0.68 0.23 0.00 0.00 176.35 177.18 2ane s VAL 53 N 1.18 0.86 0.72 -1.59 -7.23 -0.88 -1.34 120.40 112.12 2ane s VAL 53 Ca 0.13 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.37 2ane s VAL 53 Cb -0.14 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 36.03 2ane s VAL 53 CO 0.06 -0.02 1.08 0.00 -0.31 0.00 0.00 175.10 175.92 2ane s ALA 54 N -0.75 2.73 -0.01 1.32 0.00 -1.26 -0.12 121.76 123.68 2ane s ALA 54 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 2ane s ALA 54 Cb -0.07 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2ane s ALA 54 CO 0.01 -1.24 0.09 -0.65 0.00 0.00 0.00 175.76 173.97 2ane s GLN 55 N -5.24 3.10 0.11 0.00 -0.21 -1.24 -1.71 119.66 114.46 2ane s GLN 55 Ca 0.58 -0.47 -0.06 0.00 0.02 0.00 0.00 55.36 55.44 2ane s GLN 55 Cb -0.12 -2.88 -0.17 0.00 1.00 0.00 0.00 33.01 30.84 2ane s GLN 55 CO 0.53 0.65 1.24 0.87 -2.12 0.00 0.00 175.29 176.46 2ane h LYS 56 N 4.09 0.40 -4.43 2.91 1.57 0.16 -3.40 116.57 117.86 2ane h LYS 56 Ca -0.49 -0.50 -0.72 0.00 -1.87 0.00 0.00 60.65 57.08 2ane h LYS 56 Cb 1.18 0.16 -0.27 0.00 0.08 0.00 0.00 32.23 33.38 2ane h LYS 56 CO 0.63 1.17 -0.45 -2.00 -0.57 0.00 0.00 179.45 178.22 2ane s GLU 57 N -3.06 2.64 0.00 3.15 -6.30 -1.23 -4.93 118.70 108.96 2ane s GLU 57 Ca -0.06 -1.45 0.29 0.00 -2.50 0.00 0.00 54.97 51.24 2ane s GLU 57 Cb 0.08 -3.82 1.19 0.00 0.00 0.00 0.00 34.13 31.59 2ane s GLU 57 CO 0.88 -0.97 1.86 0.00 0.02 0.00 0.00 175.26 177.06 2ane n ALA 58 N 4.94 2.67 0.89 6.30 0.00 -1.26 -3.70 120.51 130.35 2ane n ALA 58 Ca -0.10 -0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.28 2ane n ALA 58 Cb 0.43 -1.38 0.52 0.00 0.00 0.00 0.00 19.45 19.02 2ane n ALA 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ane n SER 59 N -1.29 0.28 -4.60 0.00 7.64 -1.26 -4.84 113.62 109.55 2ane n SER 59 Ca 0.11 0.46 -0.30 0.00 1.01 0.00 0.00 58.87 60.14 2ane n SER 59 Cb 0.30 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 2ane n SER 59 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ane s THR 60 N -3.03 3.52 -1.98 0.44 2.01 -1.24 -4.99 115.64 110.36 2ane s THR 60 Ca 0.13 -1.13 0.17 0.00 0.31 0.00 0.00 61.69 61.17 2ane s THR 60 Cb 0.17 -2.63 0.22 0.00 0.01 0.00 0.00 72.50 70.27 2ane s THR 60 CO 0.57 0.17 1.13 0.47 -0.69 0.00 0.00 174.62 176.26 2ane n ASP 61 N 0.86 2.67 -3.27 3.53 8.00 -1.26 -4.52 116.55 122.56 2ane n ASP 61 Ca -0.13 -1.78 -0.26 0.00 0.71 0.00 0.00 54.79 53.32 2ane n ASP 61 Cb 0.52 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 2ane n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ane n GLU 62 N 0.99 2.29 -1.65 -1.24 -0.58 -1.26 -5.10 120.64 114.09 2ane n GLU 62 Ca 0.12 -4.40 -0.33 0.00 -0.42 0.00 0.00 57.16 52.12 2ane n GLU 62 Cb 0.45 -2.05 0.06 0.00 -0.57 0.00 0.00 31.44 29.33 2ane n GLU 62 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ane s PRO 63 N -2.47 2.58 0.45 3.49 0.04 -1.26 -5.04 135.00 132.79 2ane s PRO 63 Ca 0.41 1.51 0.07 0.00 0.04 0.00 0.00 61.00 63.03 2ane s PRO 63 Cb 0.19 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2ane s PRO 63 CO -0.06 -1.44 0.40 0.20 0.04 0.00 0.00 177.00 176.14 2ane s GLY 64 N -2.40 2.16 0.52 0.56 0.00 -1.26 -4.95 107.32 101.96 2ane s GLY 64 Ca 0.69 -1.81 0.31 0.00 0.00 0.00 0.00 44.72 43.92 2ane s GLY 64 CO 0.43 -1.75 1.86 -0.39 0.00 0.00 0.00 173.10 173.25 2ane h VAL 65 N 0.94 0.52 -0.00 1.40 -1.51 -1.96 0.53 116.25 116.17 2ane h VAL 65 Ca -0.40 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 2ane h VAL 65 Cb 1.27 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2ane h VAL 65 CO 0.57 0.01 -0.04 0.59 -1.23 0.00 0.00 177.57 177.47 2ane n ASN 66 N -4.28 0.17 -0.62 4.19 3.02 -1.26 -3.40 115.26 113.09 2ane n ASN 66 Ca 0.21 -0.38 0.13 0.00 -0.03 0.00 0.00 54.58 54.51 2ane n ASN 66 Cb 1.02 -0.18 0.40 0.00 -0.61 0.00 0.00 39.78 40.41 2ane n ASN 66 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ane n ASP 67 N -1.14 1.92 -4.74 6.41 8.00 0.18 -4.89 116.55 122.29 2ane n ASP 67 Ca 0.15 -1.65 -0.32 0.00 0.71 0.00 0.00 54.79 53.68 2ane n ASP 67 Cb 0.24 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 2ane n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ane s LEU 68 N -1.93 3.70 0.74 0.64 1.43 -1.22 0.18 118.68 122.22 2ane s LEU 68 Ca 0.35 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2ane s LEU 68 Cb 0.20 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 44.22 2ane s LEU 68 CO 0.32 0.24 1.08 -0.36 0.23 0.00 0.00 176.35 177.86 2ane s PHE 69 N -1.23 2.75 -0.23 0.29 0.40 -0.69 -4.77 117.98 114.49 2ane s PHE 69 Ca 0.24 1.51 0.14 0.00 -0.60 0.00 0.00 56.93 58.22 2ane s PHE 69 Cb -0.12 -3.00 0.56 0.00 0.51 0.00 0.00 43.02 40.97 2ane s PHE 69 CO 0.16 -1.61 1.50 0.25 0.70 0.00 0.00 175.22 176.22 2ane n THR 70 N -3.30 2.46 -4.00 0.64 -2.24 -1.26 -4.84 114.28 101.74 2ane n THR 70 Ca 0.09 -2.04 -0.13 0.00 -2.27 0.00 0.00 64.05 59.70 2ane n THR 70 Cb 0.53 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.34 2ane n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ane s VAL 71 N -2.96 0.22 0.00 2.28 0.11 -1.26 -0.84 120.40 117.96 2ane s VAL 71 Ca 0.45 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2ane s VAL 71 Cb 0.37 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.98 2ane s VAL 71 CO 0.08 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 2ane n GLY 72 N 2.50 1.93 3.31 6.54 0.00 -0.42 -4.61 105.19 114.44 2ane n GLY 72 Ca -0.16 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 2ane n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ane s THR 73 N -2.82 3.50 -0.04 2.61 2.01 -0.45 -1.41 115.64 119.04 2ane s THR 73 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 2ane s THR 73 Cb 0.00 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 2ane s THR 73 CO 0.00 0.29 1.11 -0.69 -0.69 0.00 0.00 174.62 174.63 2ane s VAL 74 N 1.47 4.48 0.08 3.82 1.01 -0.06 -0.81 120.40 130.38 2ane s VAL 74 Ca 0.04 1.78 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2ane s VAL 74 Cb -0.15 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2ane s VAL 74 CO -0.02 0.04 -0.18 0.00 0.00 0.00 0.00 175.10 174.95 2ane s ALA 75 N 1.78 1.50 -0.10 5.51 0.00 0.73 -0.62 121.76 130.56 2ane s ALA 75 Ca 0.53 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2ane s ALA 75 Cb -0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2ane s ALA 75 CO 0.23 0.28 0.20 -1.54 0.00 0.00 0.00 175.76 174.93 2ane s SER 76 N -1.65 6.47 -0.27 0.00 1.04 -0.82 -0.40 113.70 118.07 2ane s SER 76 Ca 0.03 0.56 -0.24 0.00 0.48 0.00 0.00 55.95 56.78 2ane s SER 76 Cb -0.10 -2.11 -0.00 0.00 0.10 0.00 0.00 66.02 63.91 2ane s SER 76 CO 0.03 0.36 0.80 -0.63 0.98 0.00 0.00 173.24 174.78 2ane s ILE 77 N -0.89 4.83 -0.05 -1.02 1.01 0.41 -1.68 121.20 123.81 2ane s ILE 77 Ca 0.16 1.38 0.13 0.00 0.00 0.00 0.00 60.65 62.33 2ane s ILE 77 Cb -0.13 -4.12 -0.22 0.00 0.01 0.00 0.00 42.46 38.00 2ane s ILE 77 CO 0.06 -0.14 0.67 0.18 0.00 0.00 0.00 174.94 175.71 2ane n LEU 78 N 6.07 0.87 -3.67 2.97 4.32 0.34 -4.95 117.00 122.95 2ane n LEU 78 Ca 0.04 0.41 -0.14 0.00 -0.02 0.00 0.00 56.01 56.31 2ane n LEU 78 Cb 0.48 0.16 -0.08 0.00 -1.62 0.00 0.00 43.42 42.36 2ane n LEU 78 CO 0.48 0.37 0.26 -1.58 -1.22 0.00 0.00 177.39 175.70 2ane s GLN 79 N -2.62 0.70 -0.04 3.23 0.74 -1.19 -4.98 119.66 115.51 2ane s GLN 79 Ca -0.04 0.67 -0.01 0.00 0.05 0.00 0.00 55.36 56.02 2ane s GLN 79 Cb 0.08 0.34 0.03 0.00 1.10 0.00 0.00 33.01 34.56 2ane s GLN 79 CO 0.82 -0.11 0.06 1.41 -0.55 0.00 0.00 175.29 176.92 2ane s MET 80 N 0.04 -0.05 -0.04 1.67 1.75 -1.26 -0.31 119.30 121.09 2ane s MET 80 Ca -0.02 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2ane s MET 80 Cb -0.04 -0.38 0.02 0.00 2.84 0.00 0.00 34.83 37.28 2ane s MET 80 CO 0.02 -0.26 -0.02 -0.48 -0.65 0.00 0.00 175.02 173.63 2ane s LEU 81 N 1.71 1.12 -0.31 4.11 0.05 -0.26 -5.00 118.68 120.10 2ane s LEU 81 Ca -0.01 -0.09 -0.21 0.00 0.05 0.00 0.00 54.13 53.88 2ane s LEU 81 Cb -0.12 -0.37 -0.01 0.00 -2.05 0.00 0.00 46.19 43.64 2ane s LEU 81 CO -0.03 -0.10 0.65 -0.54 -0.55 0.00 0.00 176.35 175.78 2ane s LYS 82 N 1.17 3.91 0.40 1.48 1.02 -1.26 -1.37 119.74 125.08 2ane s LYS 82 Ca -0.07 0.33 -0.06 0.00 0.02 0.00 0.00 55.97 56.19 2ane s LYS 82 Cb -0.14 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 2ane s LYS 82 CO -0.02 -0.59 0.69 -0.51 -0.92 0.00 0.00 175.35 174.01 2ane s LEU 83 N 2.65 3.84 0.31 3.17 1.43 -0.23 -5.00 118.68 124.85 2ane s LEU 83 Ca 0.26 0.87 0.24 0.00 -1.03 0.00 0.00 54.13 54.47 2ane s LEU 83 Cb -0.15 -3.75 1.11 0.00 0.03 0.00 0.00 46.19 43.42 2ane s LEU 83 CO 0.12 -0.40 1.73 -0.65 0.23 0.00 0.00 176.35 177.38 2ane h PRO 84 N 0.93 0.00 -0.43 1.29 0.11 -1.97 -2.44 132.00 129.49 2ane h PRO 84 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ane h PRO 84 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ane h PRO 84 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 2ane n ASP 85 N -2.33 2.06 0.00 -2.05 3.85 -1.26 -4.89 116.55 111.93 2ane n ASP 85 Ca 0.01 -2.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 2ane n ASP 85 Cb 0.17 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 2ane n ASP 85 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ane n GLY 86 N 0.89 0.83 3.96 6.12 0.00 -0.92 -5.04 105.19 111.03 2ane n GLY 86 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2ane n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ane s THR 87 N -3.25 2.87 -0.04 2.61 -4.23 -1.26 -4.85 115.64 107.50 2ane s THR 87 Ca 0.00 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2ane s THR 87 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2ane s THR 87 CO 0.00 -0.00 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 2ane s VAL 88 N -2.40 1.19 -0.23 2.29 1.01 -0.24 -1.07 120.40 120.95 2ane s VAL 88 Ca 0.52 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2ane s VAL 88 Cb -0.07 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2ane s VAL 88 CO 0.31 0.35 0.06 -0.75 0.00 0.00 0.00 175.10 175.08 2ane s LYS 89 N 0.18 3.73 -0.09 2.72 2.20 -0.47 -0.33 119.74 127.67 2ane s LYS 89 Ca -0.05 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 2ane s LYS 89 Cb -0.11 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2ane s LYS 89 CO 0.02 -0.07 -0.12 0.54 -0.36 0.00 0.00 175.35 175.37 2ane s VAL 90 N 1.28 1.18 -0.22 4.02 0.11 0.46 -1.10 120.40 126.14 2ane s VAL 90 Ca 0.05 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 2ane s VAL 90 Cb -0.15 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2ane s VAL 90 CO 0.03 0.38 0.48 -0.22 -3.33 0.00 0.00 175.10 172.44 2ane s LEU 91 N 1.03 4.12 0.13 2.54 2.96 0.57 -0.50 118.68 129.53 2ane s LEU 91 Ca -0.07 0.58 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 2ane s LEU 91 Cb -0.15 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2ane s LEU 91 CO -0.01 -0.18 -0.20 0.68 -1.32 0.00 0.00 176.35 175.32 2ane s VAL 92 N 1.73 1.78 -0.18 1.68 -7.23 -0.64 -0.51 120.40 117.03 2ane s VAL 92 Ca 0.22 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2ane s VAL 92 Cb -0.15 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.13 2ane s VAL 92 CO 0.09 -0.14 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.88 2ane s GLU 93 N -2.23 2.56 0.28 4.82 2.12 -0.67 -1.10 118.70 124.47 2ane s GLU 93 Ca 0.10 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2ane s GLU 93 Cb -0.08 -2.41 -0.10 0.00 0.26 0.00 0.00 34.13 31.79 2ane s GLU 93 CO 0.05 -0.28 1.42 0.20 -0.54 0.00 0.00 175.26 176.11 2ane s GLY 94 N 1.36 2.51 -0.11 -1.50 0.00 0.43 -1.94 107.32 108.07 2ane s GLY 94 Ca 0.03 1.33 -0.11 0.00 0.00 0.00 0.00 44.72 45.98 2ane s GLY 94 CO -0.11 2.20 -0.23 1.04 0.00 0.00 0.00 173.10 176.01 2ane n LEU 95 N 1.87 1.55 -3.54 0.66 4.77 0.21 -0.80 117.00 121.72 2ane n LEU 95 Ca 0.05 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 2ane n LEU 95 Cb 0.40 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2ane n LEU 95 CO 0.60 -0.23 0.40 -1.58 -1.33 0.00 0.00 177.39 175.26 2ane s GLN 96 N -2.52 1.04 0.72 3.23 0.74 -1.15 -4.56 119.66 117.16 2ane s GLN 96 Ca -0.20 0.19 -0.11 0.00 0.05 0.00 0.00 55.36 55.29 2ane s GLN 96 Cb 0.04 0.49 0.02 0.00 1.10 0.00 0.00 33.01 34.66 2ane s GLN 96 CO 0.29 -0.33 1.07 1.03 -0.55 0.00 0.00 175.29 176.80 2ane s ARG 97 N -1.31 2.74 0.08 1.67 1.81 -1.26 -0.88 118.95 121.79 2ane s ARG 97 Ca -0.11 0.88 -0.23 0.00 -1.72 0.00 0.00 55.73 54.55 2ane s ARG 97 Cb -0.00 -1.97 0.06 0.00 -0.45 0.00 0.00 34.95 32.58 2ane s ARG 97 CO 0.09 -1.22 0.56 0.00 -0.68 0.00 0.00 175.30 174.05 2ane s ALA 98 N -3.07 -1.46 0.13 2.13 0.00 -0.50 -1.80 121.76 117.19 2ane s ALA 98 Ca 0.59 0.61 0.05 0.00 0.00 0.00 0.00 51.96 53.21 2ane s ALA 98 Cb -0.14 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2ane s ALA 98 CO 0.55 -0.59 0.04 -0.98 0.00 0.00 0.00 175.76 174.78 2ane s ARG 99 N -2.85 2.62 -0.24 0.00 1.70 0.55 -1.30 118.95 119.43 2ane s ARG 99 Ca -0.03 -0.91 -0.09 0.00 -0.47 0.00 0.00 55.73 54.23 2ane s ARG 99 Cb -0.00 -2.53 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 2ane s ARG 99 CO -0.05 0.51 0.13 0.42 -1.08 0.00 0.00 175.30 175.22 2ane s ILE 100 N -1.54 4.98 -0.12 4.99 1.01 -0.02 -0.19 121.20 130.31 2ane s ILE 100 Ca 0.28 0.05 0.17 0.00 0.00 0.00 0.00 60.65 61.15 2ane s ILE 100 Cb -0.11 -3.32 -0.21 0.00 0.01 0.00 0.00 42.46 38.83 2ane s ILE 100 CO 0.20 0.34 0.52 -1.54 0.00 0.00 0.00 174.94 174.46 2ane n SER 101 N 4.51 0.49 -3.71 3.58 3.41 -0.20 -4.92 113.62 116.79 2ane n SER 101 Ca -0.15 0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2ane n SER 101 Cb 0.52 0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 64.96 2ane n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ane s ALA 102 N -2.80 -0.89 -0.10 7.33 0.00 -1.12 -4.99 121.76 119.19 2ane s ALA 102 Ca -0.06 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2ane s ALA 102 Cb 0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 2ane s ALA 102 CO 0.83 -0.24 -0.23 -1.17 0.00 0.00 0.00 175.76 174.94 2ane s LEU 103 N 1.36 2.13 0.09 0.00 0.20 -1.26 -0.82 118.68 120.38 2ane s LEU 103 Ca -0.09 -0.54 -0.01 0.00 0.69 0.00 0.00 54.13 54.18 2ane s LEU 103 Cb -0.09 -1.42 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 2ane s LEU 103 CO -0.11 0.16 0.01 -0.94 -0.29 0.00 0.00 176.35 175.18 2ane s SER 104 N 0.32 0.44 -0.33 3.68 1.04 -0.11 -5.00 113.70 113.74 2ane s SER 104 Ca -0.18 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2ane s SER 104 Cb -0.18 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.29 2ane s SER 104 CO 0.09 -0.65 0.12 -0.62 0.98 0.00 0.00 173.24 173.15 2ane s ASP 105 N -2.99 4.02 0.00 7.02 -1.08 -1.26 -0.30 116.67 122.08 2ane s ASP 105 Ca 0.15 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 2ane s ASP 105 Cb 0.08 -0.94 0.00 0.00 -1.46 0.00 0.00 42.92 40.59 2ane s ASP 105 CO -0.04 -0.39 0.62 -0.46 0.52 0.00 0.00 175.17 175.41 2ane n ASN 106 N 4.61 0.74 0.00 -0.34 0.23 -1.20 -4.84 115.26 114.45 2ane n ASN 106 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 2ane n ASN 106 Cb 0.41 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2ane n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ane n GLY 107 N 0.13 1.91 0.16 4.83 0.00 -1.26 -4.72 105.19 106.23 2ane n GLY 107 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 2ane n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ane h GLU 108 N 0.00 0.50 -2.02 1.61 4.39 -1.98 -3.49 114.58 113.59 2ane h GLU 108 Ca 0.00 -0.51 0.23 0.00 0.34 0.00 0.00 59.36 59.42 2ane h GLU 108 Cb 0.00 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 28.69 2ane h GLU 108 CO 0.00 1.15 0.61 -3.38 -1.16 0.00 0.00 179.01 176.22 2ane s HIS 109 N -3.32 -0.11 0.31 4.33 -3.43 -1.26 -4.68 115.29 107.13 2ane s HIS 109 Ca -0.12 -0.12 -0.28 0.00 -0.80 0.00 0.00 55.06 53.74 2ane s HIS 109 Cb 0.05 0.60 -0.09 0.00 -1.43 0.00 0.00 32.58 31.70 2ane s HIS 109 CO 0.85 -0.62 1.02 -0.06 -2.00 0.00 0.00 174.74 173.92 2ane s PHE 110 N -2.98 3.62 0.03 0.38 0.40 -1.26 -3.26 117.98 114.91 2ane s PHE 110 Ca 0.13 1.76 0.02 0.00 -0.60 0.00 0.00 56.93 58.23 2ane s PHE 110 Cb 0.01 -3.10 -0.02 0.00 0.51 0.00 0.00 43.02 40.42 2ane s PHE 110 CO -0.00 -0.17 -0.06 -1.12 0.70 0.00 0.00 175.22 174.56 2ane s SER 111 N -1.27 0.69 0.12 1.36 0.01 0.58 -0.96 113.70 114.23 2ane s SER 111 Ca 0.48 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.36 2ane s SER 111 Cb -0.25 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2ane s SER 111 CO 0.32 -0.15 -0.12 0.00 0.41 0.00 0.00 173.24 173.70 2ane s ALA 112 N -1.07 1.35 -0.23 1.44 0.00 -0.14 -0.93 121.76 122.18 2ane s ALA 112 Ca -0.08 -1.29 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 2ane s ALA 112 Cb -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2ane s ALA 112 CO 0.00 0.02 0.11 0.15 0.00 0.00 0.00 175.76 176.04 2ane s LYS 113 N -2.88 3.88 0.19 0.00 3.01 -0.00 -1.18 119.74 122.75 2ane s LYS 113 Ca 0.09 -0.37 0.04 0.00 -1.01 0.00 0.00 55.97 54.71 2ane s LYS 113 Cb -0.03 -3.39 -0.05 0.00 -1.01 0.00 0.00 37.83 33.35 2ane s LYS 113 CO 0.02 -0.01 -0.05 0.00 0.51 0.00 0.00 175.35 175.82 2ane s ALA 114 N 1.18 1.62 -0.06 5.17 0.00 0.43 -1.03 121.76 129.07 2ane s ALA 114 Ca 0.06 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.39 2ane s ALA 114 Cb -0.14 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.29 2ane s ALA 114 CO 0.04 -0.18 -0.05 -2.00 0.00 0.00 0.00 175.76 173.57 2ane s GLU 115 N -3.81 1.00 0.49 0.00 2.12 0.74 -0.45 118.70 118.79 2ane s GLU 115 Ca 0.23 -0.13 -0.23 0.00 0.36 0.00 0.00 54.97 55.20 2ane s GLU 115 Cb 0.04 -1.04 -0.07 0.00 0.26 0.00 0.00 34.13 33.33 2ane s GLU 115 CO 0.05 -0.13 1.25 0.71 -0.54 0.00 0.00 175.26 176.59 2ane s TYR 116 N 1.18 2.65 -1.96 5.30 1.51 -1.26 -0.33 117.35 124.44 2ane s TYR 116 Ca -0.07 1.47 0.16 0.00 -1.01 0.00 0.00 57.07 57.62 2ane s TYR 116 Cb -0.14 -3.56 0.12 0.00 -0.11 0.00 0.00 41.96 38.28 2ane s TYR 116 CO -0.01 -2.07 1.00 1.47 -1.11 0.00 0.00 175.55 174.83